make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0347' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0347.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/T0347.} ;\ 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/T0347/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hwjA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183180415 # 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= 9.356 sec, elapsed time= 18.619 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= 9.469 sec, elapsed time= 18.928 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0347 numbered 1 through 205 Created new target T0347 from T0347.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2hwjA expands to /projects/compbio/data/pdb/2hwj.pdb.gz 2hwjA: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 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 196 residues and 1574 atoms. # WARNING: incomplete conformation T0347 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= 13.815 sec, elapsed time= 28.699 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 201 # 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 = -24.745 # GDT_score(maxd=8.000,maxw=2.900)= -24.815 # GDT_score(maxd=8.000,maxw=3.200)= -23.650 # GDT_score(maxd=8.000,maxw=3.500)= -22.592 # GDT_score(maxd=10.000,maxw=3.800)= -24.357 # GDT_score(maxd=10.000,maxw=4.000)= -23.697 # GDT_score(maxd=10.000,maxw=4.200)= -23.036 # GDT_score(maxd=12.000,maxw=4.300)= -24.825 # GDT_score(maxd=12.000,maxw=4.500)= -24.144 # GDT_score(maxd=12.000,maxw=4.700)= -23.482 # GDT_score(maxd=14.000,maxw=5.200)= -23.584 # GDT_score(maxd=14.000,maxw=5.500)= -22.609 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0347.model1-real.pdb for output Error: Couldn't open file T0347.model1-real.pdb for output superimposing iter= 0 total_weight= 2358 rmsd (weighted)= 18.7982 (unweighted)= 23.7634 superimposing iter= 1 total_weight= 3588.24 rmsd (weighted)= 12.2194 (unweighted)= 23.7187 superimposing iter= 2 total_weight= 1911.28 rmsd (weighted)= 10.9856 (unweighted)= 23.7458 superimposing iter= 3 total_weight= 1684.02 rmsd (weighted)= 10.5453 (unweighted)= 23.7877 superimposing iter= 4 total_weight= 1617.95 rmsd (weighted)= 10.3378 (unweighted)= 23.8231 superimposing iter= 5 total_weight= 1592.08 rmsd (weighted)= 10.2223 (unweighted)= 23.85 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 5.532 65.075 -11.634 1.00 0.00 ATOM 2 CA MET A 1 6.872 64.534 -11.847 1.00 0.00 ATOM 3 CB MET A 1 7.822 65.053 -10.755 1.00 0.00 ATOM 4 CG MET A 1 7.698 66.554 -10.459 1.00 0.00 ATOM 5 SD MET A 1 8.674 67.069 -8.997 1.00 0.00 ATOM 6 CE MET A 1 7.485 67.273 -7.688 1.00 0.00 ATOM 7 O MET A 1 6.342 62.435 -10.836 1.00 0.00 ATOM 8 C MET A 1 6.873 63.009 -11.786 1.00 0.00 ATOM 9 N THR A 2 7.428 62.324 -12.788 1.00 0.00 ATOM 10 CA THR A 2 7.452 60.861 -12.809 1.00 0.00 ATOM 11 CB THR A 2 8.034 60.290 -14.107 1.00 0.00 ATOM 12 CG2 THR A 2 8.096 58.764 -14.154 1.00 0.00 ATOM 13 OG1 THR A 2 7.224 60.680 -15.211 1.00 0.00 ATOM 14 O THR A 2 7.917 59.116 -11.219 1.00 0.00 ATOM 15 C THR A 2 8.246 60.222 -11.676 1.00 0.00 ATOM 16 N HIS A 3 9.306 60.894 -11.214 1.00 0.00 ATOM 17 CA HIS A 3 10.113 60.383 -10.114 1.00 0.00 ATOM 18 CB HIS A 3 11.454 61.111 -10.020 1.00 0.00 ATOM 19 CG HIS A 3 11.268 62.508 -9.443 1.00 0.00 ATOM 20 CD2 HIS A 3 10.972 63.642 -10.079 1.00 0.00 ATOM 21 ND1 HIS A 3 11.354 62.772 -8.147 1.00 0.00 ATOM 22 CE1 HIS A 3 11.173 64.074 -7.993 1.00 0.00 ATOM 23 NE2 HIS A 3 10.931 64.617 -9.184 1.00 0.00 ATOM 24 O HIS A 3 9.771 59.708 -7.840 1.00 0.00 ATOM 25 C HIS A 3 9.350 60.380 -8.783 1.00 0.00 ATOM 26 N ILE A 4 8.235 61.221 -8.755 1.00 0.00 ATOM 27 CA ILE A 4 7.480 61.331 -7.497 1.00 0.00 ATOM 28 CB ILE A 4 6.266 62.357 -7.711 1.00 0.00 ATOM 29 CG1 ILE A 4 6.782 63.784 -7.924 1.00 0.00 ATOM 30 CG2 ILE A 4 5.315 62.309 -6.527 1.00 0.00 ATOM 31 CD1 ILE A 4 5.687 64.783 -8.231 1.00 0.00 ATOM 32 O ILE A 4 6.976 59.743 -5.782 1.00 0.00 ATOM 33 C ILE A 4 6.977 59.971 -6.994 1.00 0.00 ATOM 34 N TYR A 5 6.517 59.118 -7.914 1.00 0.00 ATOM 35 CA TYR A 5 6.034 57.763 -7.580 1.00 0.00 ATOM 36 CB TYR A 5 5.712 56.928 -8.820 1.00 0.00 ATOM 37 CG TYR A 5 4.691 57.571 -9.751 1.00 0.00 ATOM 38 CD1 TYR A 5 5.131 58.500 -10.629 1.00 0.00 ATOM 39 CD2 TYR A 5 3.358 57.268 -9.782 1.00 0.00 ATOM 40 CE1 TYR A 5 4.380 59.165 -11.567 1.00 0.00 ATOM 41 CE2 TYR A 5 2.544 57.912 -10.699 1.00 0.00 ATOM 42 CZ TYR A 5 3.041 58.856 -11.594 1.00 0.00 ATOM 43 OH TYR A 5 2.229 59.525 -12.455 1.00 0.00 ATOM 44 O TYR A 5 8.318 57.114 -7.167 1.00 0.00 ATOM 45 C TYR A 5 7.135 56.972 -6.853 1.00 0.00 ATOM 46 N GLU A 6 6.678 56.072 -5.995 1.00 0.00 ATOM 47 CA GLU A 6 7.555 55.150 -5.249 1.00 0.00 ATOM 48 CB GLU A 6 7.001 54.892 -3.866 1.00 0.00 ATOM 49 CG GLU A 6 7.285 56.080 -2.939 1.00 0.00 ATOM 50 CD GLU A 6 6.809 55.820 -1.507 1.00 0.00 ATOM 51 OE1 GLU A 6 6.036 54.870 -1.306 1.00 0.00 ATOM 52 OE2 GLU A 6 7.350 56.525 -0.629 1.00 0.00 ATOM 53 O GLU A 6 6.558 53.246 -6.252 1.00 0.00 ATOM 54 C GLU A 6 7.607 53.789 -5.950 1.00 0.00 ATOM 55 N PRO A 7 8.924 53.312 -6.004 1.00 0.00 ATOM 56 CA PRO A 7 9.062 51.935 -6.513 1.00 0.00 ATOM 57 CB PRO A 7 9.801 52.084 -7.839 1.00 0.00 ATOM 58 CG PRO A 7 10.721 53.258 -7.556 1.00 0.00 ATOM 59 CD PRO A 7 9.858 54.200 -6.720 1.00 0.00 ATOM 60 O PRO A 7 10.743 51.369 -4.870 1.00 0.00 ATOM 61 C PRO A 7 9.792 50.983 -5.576 1.00 0.00 ATOM 62 N ARG A 8 9.415 49.715 -5.682 1.00 0.00 ATOM 63 CA ARG A 8 10.007 48.635 -4.882 1.00 0.00 ATOM 64 CB ARG A 8 9.234 48.552 -3.558 1.00 0.00 ATOM 65 CG ARG A 8 9.649 47.471 -2.636 1.00 0.00 ATOM 66 CD ARG A 8 8.931 47.502 -1.276 1.00 0.00 ATOM 67 NE ARG A 8 7.484 47.347 -1.426 1.00 0.00 ATOM 68 CZ ARG A 8 6.806 46.202 -1.654 1.00 0.00 ATOM 69 NH1 ARG A 8 7.451 45.031 -1.748 1.00 0.00 ATOM 70 NH2 ARG A 8 5.506 46.249 -1.819 1.00 0.00 ATOM 71 O ARG A 8 8.960 46.985 -6.239 1.00 0.00 ATOM 72 C ARG A 8 9.974 47.317 -5.639 1.00 0.00 ATOM 73 N LEU A 9 11.072 46.552 -5.596 1.00 0.00 ATOM 74 CA LEU A 9 11.129 45.262 -6.282 1.00 0.00 ATOM 75 CB LEU A 9 12.568 44.936 -6.662 1.00 0.00 ATOM 76 CG LEU A 9 13.191 45.921 -7.647 1.00 0.00 ATOM 77 CD1 LEU A 9 14.671 45.575 -7.825 1.00 0.00 ATOM 78 CD2 LEU A 9 12.427 45.919 -8.963 1.00 0.00 ATOM 79 O LEU A 9 11.051 44.079 -4.186 1.00 0.00 ATOM 80 C LEU A 9 10.610 44.176 -5.340 1.00 0.00 ATOM 81 N SER A 10 9.748 43.353 -5.903 1.00 0.00 ATOM 82 CA SER A 10 9.101 42.227 -5.220 1.00 0.00 ATOM 83 CB SER A 10 7.648 42.567 -4.874 1.00 0.00 ATOM 84 OG SER A 10 6.968 41.416 -4.346 1.00 0.00 ATOM 85 O SER A 10 8.805 41.097 -7.303 1.00 0.00 ATOM 86 C SER A 10 8.937 41.011 -6.097 1.00 0.00 ATOM 87 N ARG A 11 8.965 39.849 -5.463 1.00 0.00 ATOM 88 CA ARG A 11 8.763 38.643 -6.229 1.00 0.00 ATOM 89 CB ARG A 11 9.683 37.535 -5.634 1.00 0.00 ATOM 90 CG ARG A 11 11.140 38.078 -5.555 1.00 0.00 ATOM 91 CD ARG A 11 12.015 36.951 -5.068 1.00 0.00 ATOM 92 NE ARG A 11 11.733 36.511 -3.688 1.00 0.00 ATOM 93 CZ ARG A 11 12.315 35.456 -3.147 1.00 0.00 ATOM 94 NH1 ARG A 11 13.287 34.827 -3.850 1.00 0.00 ATOM 95 NH2 ARG A 11 12.048 35.008 -1.933 1.00 0.00 ATOM 96 O ARG A 11 6.682 38.111 -5.172 1.00 0.00 ATOM 97 C ARG A 11 7.250 38.477 -6.200 1.00 0.00 ATOM 98 N ILE A 12 6.602 38.784 -7.304 1.00 0.00 ATOM 99 CA ILE A 12 5.141 38.821 -7.387 1.00 0.00 ATOM 100 CB ILE A 12 4.647 40.101 -8.090 1.00 0.00 ATOM 101 CG1 ILE A 12 5.078 41.343 -7.283 1.00 0.00 ATOM 102 CG2 ILE A 12 3.126 40.059 -8.309 1.00 0.00 ATOM 103 CD1 ILE A 12 4.485 42.709 -7.702 1.00 0.00 ATOM 104 O ILE A 12 5.162 37.274 -9.207 1.00 0.00 ATOM 105 C ILE A 12 4.609 37.617 -8.168 1.00 0.00 ATOM 106 N ALA A 13 3.520 36.990 -7.633 1.00 0.00 ATOM 107 CA ALA A 13 2.903 35.856 -8.317 1.00 0.00 ATOM 108 CB ALA A 13 1.632 35.396 -7.584 1.00 0.00 ATOM 109 O ALA A 13 1.991 37.419 -9.878 1.00 0.00 ATOM 110 C ALA A 13 2.554 36.337 -9.727 1.00 0.00 ATOM 111 N ILE A 14 2.897 35.482 -10.773 1.00 0.00 ATOM 112 CA ILE A 14 2.477 35.798 -12.161 1.00 0.00 ATOM 113 CB ILE A 14 2.839 34.712 -13.161 1.00 0.00 ATOM 114 CG1 ILE A 14 4.366 34.648 -13.293 1.00 0.00 ATOM 115 CG2 ILE A 14 2.212 34.992 -14.525 1.00 0.00 ATOM 116 CD1 ILE A 14 4.867 33.467 -14.094 1.00 0.00 ATOM 117 O ILE A 14 0.445 36.875 -12.948 1.00 0.00 ATOM 118 C ILE A 14 0.950 36.016 -12.225 1.00 0.00 ATOM 119 N ASP A 15 0.274 35.209 -11.421 1.00 0.00 ATOM 120 CA ASP A 15 -1.188 35.170 -11.440 1.00 0.00 ATOM 121 CB ASP A 15 -1.751 34.102 -10.534 1.00 0.00 ATOM 122 CG ASP A 15 -1.478 32.705 -11.057 1.00 0.00 ATOM 123 OD1 ASP A 15 -1.130 32.541 -12.241 1.00 0.00 ATOM 124 OD2 ASP A 15 -1.492 31.858 -10.147 1.00 0.00 ATOM 125 O ASP A 15 -2.974 36.754 -11.408 1.00 0.00 ATOM 126 C ASP A 15 -1.831 36.479 -11.030 1.00 0.00 ATOM 127 N LYS A 16 -1.130 37.225 -10.184 1.00 0.00 ATOM 128 CA LYS A 16 -1.745 38.459 -9.675 1.00 0.00 ATOM 129 CB LYS A 16 -1.592 38.499 -8.123 1.00 0.00 ATOM 130 CG LYS A 16 -2.638 37.672 -7.396 1.00 0.00 ATOM 131 CD LYS A 16 -2.609 37.896 -5.881 1.00 0.00 ATOM 132 CE LYS A 16 -3.926 37.448 -5.198 1.00 0.00 ATOM 133 NZ LYS A 16 -4.289 36.030 -5.457 1.00 0.00 ATOM 134 O LYS A 16 -2.057 40.768 -10.271 1.00 0.00 ATOM 135 C LYS A 16 -1.560 39.686 -10.577 1.00 0.00 ATOM 136 N LEU A 17 -0.949 39.470 -11.733 1.00 0.00 ATOM 137 CA LEU A 17 -0.722 40.540 -12.713 1.00 0.00 ATOM 138 CB LEU A 17 0.623 40.310 -13.399 1.00 0.00 ATOM 139 CG LEU A 17 1.860 40.359 -12.491 1.00 0.00 ATOM 140 CD1 LEU A 17 3.125 40.151 -13.328 1.00 0.00 ATOM 141 CD2 LEU A 17 1.980 41.690 -11.756 1.00 0.00 ATOM 142 O LEU A 17 -2.390 39.499 -14.102 1.00 0.00 ATOM 143 C LEU A 17 -1.796 40.544 -13.808 1.00 0.00 ATOM 144 N ARG A 18 -1.881 41.685 -14.490 1.00 0.00 ATOM 145 CA ARG A 18 -2.641 41.820 -15.754 1.00 0.00 ATOM 146 CB ARG A 18 -2.302 43.153 -16.450 1.00 0.00 ATOM 147 CG ARG A 18 -3.048 43.316 -17.778 1.00 0.00 ATOM 148 CD ARG A 18 -2.753 44.590 -18.552 1.00 0.00 ATOM 149 NE ARG A 18 -1.397 44.524 -19.110 1.00 0.00 ATOM 150 CZ ARG A 18 -1.111 44.221 -20.372 1.00 0.00 ATOM 151 NH1 ARG A 18 -2.056 43.863 -21.229 1.00 0.00 ATOM 152 NH2 ARG A 18 0.122 44.334 -20.820 1.00 0.00 ATOM 153 O ARG A 18 -0.938 40.532 -16.784 1.00 0.00 ATOM 154 C ARG A 18 -2.126 40.812 -16.777 1.00 0.00 ATOM 155 N PRO A 19 -3.071 40.278 -17.647 1.00 0.00 ATOM 156 CA PRO A 19 -2.663 39.282 -18.638 1.00 0.00 ATOM 157 CB PRO A 19 -3.999 38.779 -19.198 1.00 0.00 ATOM 158 CG PRO A 19 -4.885 39.953 -19.073 1.00 0.00 ATOM 159 CD PRO A 19 -4.525 40.604 -17.756 1.00 0.00 ATOM 160 O PRO A 19 -2.064 41.027 -20.223 1.00 0.00 ATOM 161 C PRO A 19 -1.771 39.942 -19.698 1.00 0.00 ATOM 162 N THR A 20 -0.859 39.114 -20.163 1.00 0.00 ATOM 163 CA THR A 20 -0.123 39.406 -21.402 1.00 0.00 ATOM 164 CB THR A 20 0.950 38.350 -21.630 1.00 0.00 ATOM 165 CG2 THR A 20 2.049 38.417 -20.583 1.00 0.00 ATOM 166 OG1 THR A 20 0.420 37.039 -21.737 1.00 0.00 ATOM 167 O THR A 20 -2.049 38.610 -22.625 1.00 0.00 ATOM 168 C THR A 20 -1.089 39.387 -22.595 1.00 0.00 ATOM 169 N GLN A 21 -0.984 40.398 -23.437 1.00 0.00 ATOM 170 CA GLN A 21 -1.796 40.432 -24.666 1.00 0.00 ATOM 171 CB GLN A 21 -1.421 41.733 -25.439 1.00 0.00 ATOM 172 CG GLN A 21 -1.358 42.994 -24.647 1.00 0.00 ATOM 173 CD GLN A 21 -2.681 43.604 -24.307 1.00 0.00 ATOM 174 OE1 GLN A 21 -3.763 43.035 -24.540 1.00 0.00 ATOM 175 NE2 GLN A 21 -2.621 44.778 -23.707 1.00 0.00 ATOM 176 O GLN A 21 -1.059 38.283 -25.569 1.00 0.00 ATOM 177 C GLN A 21 -1.056 39.515 -25.652 1.00 0.00 ATOM 178 N ILE A 22 -0.262 40.449 -26.406 1.00 0.00 ATOM 179 CA ILE A 22 1.111 40.890 -26.145 1.00 0.00 ATOM 180 CB ILE A 22 1.719 40.076 -24.984 1.00 0.00 ATOM 181 CG1 ILE A 22 3.139 40.567 -24.704 1.00 0.00 ATOM 182 CG2 ILE A 22 1.692 38.586 -25.299 1.00 0.00 ATOM 183 CD1 ILE A 22 3.772 39.936 -23.482 1.00 0.00 ATOM 184 O ILE A 22 1.774 39.813 -28.062 1.00 0.00 ATOM 185 C ILE A 22 1.812 40.860 -27.459 1.00 0.00 ATOM 186 N ALA A 23 2.491 41.937 -27.800 1.00 0.00 ATOM 187 CA ALA A 23 3.359 41.901 -28.976 1.00 0.00 ATOM 188 CB ALA A 23 3.642 43.286 -29.517 1.00 0.00 ATOM 189 O ALA A 23 5.432 41.859 -27.777 1.00 0.00 ATOM 190 C ALA A 23 4.695 41.292 -28.591 1.00 0.00 ATOM 191 N VAL A 24 4.987 40.143 -29.177 1.00 0.00 ATOM 192 CA VAL A 24 6.215 39.423 -28.826 1.00 0.00 ATOM 193 CB VAL A 24 5.876 38.273 -27.778 1.00 0.00 ATOM 194 CG1 VAL A 24 4.914 37.258 -28.431 1.00 0.00 ATOM 195 CG2 VAL A 24 7.127 37.570 -27.247 1.00 0.00 ATOM 196 O VAL A 24 6.613 38.384 -30.935 1.00 0.00 ATOM 197 C VAL A 24 7.068 39.114 -30.059 1.00 0.00 ATOM 198 N GLY A 25 8.351 39.396 -29.879 1.00 0.00 ATOM 199 CA GLY A 25 9.406 38.910 -30.779 1.00 0.00 ATOM 200 O GLY A 25 10.588 37.655 -29.150 1.00 0.00 ATOM 201 C GLY A 25 9.952 37.631 -30.164 1.00 0.00 ATOM 202 N PHE A 26 9.593 36.426 -30.781 1.00 0.00 ATOM 203 CA PHE A 26 10.056 35.179 -30.256 1.00 0.00 ATOM 204 CB PHE A 26 9.763 34.077 -31.277 1.00 0.00 ATOM 205 CG PHE A 26 10.072 32.682 -30.704 1.00 0.00 ATOM 206 CD1 PHE A 26 9.208 32.056 -29.829 1.00 0.00 ATOM 207 CD2 PHE A 26 11.264 32.068 -31.028 1.00 0.00 ATOM 208 CE1 PHE A 26 9.501 30.806 -29.311 1.00 0.00 ATOM 209 CE2 PHE A 26 11.564 30.821 -30.480 1.00 0.00 ATOM 210 CZ PHE A 26 10.688 30.178 -29.640 1.00 0.00 ATOM 211 O PHE A 26 11.789 34.612 -28.709 1.00 0.00 ATOM 212 C PHE A 26 11.531 35.077 -29.820 1.00 0.00 ATOM 213 N ARG A 27 12.438 35.602 -30.659 1.00 0.00 ATOM 214 CA ARG A 27 13.889 35.584 -30.341 1.00 0.00 ATOM 215 CB ARG A 27 14.725 36.213 -31.453 1.00 0.00 ATOM 216 CG ARG A 27 14.657 35.422 -32.748 1.00 0.00 ATOM 217 CD ARG A 27 15.456 36.154 -33.797 1.00 0.00 ATOM 218 NE ARG A 27 15.373 35.405 -35.045 1.00 0.00 ATOM 219 CZ ARG A 27 15.983 35.765 -36.172 1.00 0.00 ATOM 220 NH1 ARG A 27 15.930 34.985 -37.227 1.00 0.00 ATOM 221 NH2 ARG A 27 16.734 36.842 -36.235 1.00 0.00 ATOM 222 O ARG A 27 14.987 35.929 -28.237 1.00 0.00 ATOM 223 C ARG A 27 14.171 36.356 -29.050 1.00 0.00 ATOM 224 N GLU A 28 13.487 37.484 -28.845 1.00 0.00 ATOM 225 CA GLU A 28 13.662 38.285 -27.638 1.00 0.00 ATOM 226 CB GLU A 28 12.851 39.568 -27.794 1.00 0.00 ATOM 227 CG GLU A 28 13.519 40.540 -28.760 1.00 0.00 ATOM 228 CD GLU A 28 14.964 40.902 -28.410 1.00 0.00 ATOM 229 OE1 GLU A 28 15.193 41.311 -27.235 1.00 0.00 ATOM 230 OE2 GLU A 28 15.785 40.725 -29.331 1.00 0.00 ATOM 231 O GLU A 28 13.881 37.505 -25.380 1.00 0.00 ATOM 232 C GLU A 28 13.210 37.494 -26.411 1.00 0.00 ATOM 233 N VAL A 29 12.075 36.787 -26.520 1.00 0.00 ATOM 234 CA VAL A 29 11.595 35.965 -25.417 1.00 0.00 ATOM 235 CB VAL A 29 10.268 35.267 -25.730 1.00 0.00 ATOM 236 CG1 VAL A 29 9.847 34.201 -24.716 1.00 0.00 ATOM 237 CG2 VAL A 29 9.231 36.364 -25.576 1.00 0.00 ATOM 238 O VAL A 29 12.964 34.739 -23.877 1.00 0.00 ATOM 239 C VAL A 29 12.652 34.928 -25.052 1.00 0.00 ATOM 240 N GLU A 30 13.216 34.282 -26.045 1.00 0.00 ATOM 241 CA GLU A 30 14.241 33.270 -25.805 1.00 0.00 ATOM 242 CB GLU A 30 14.573 32.599 -27.131 1.00 0.00 ATOM 243 CG GLU A 30 15.585 31.450 -26.979 1.00 0.00 ATOM 244 CD GLU A 30 15.975 30.774 -28.302 1.00 0.00 ATOM 245 OE1 GLU A 30 15.380 31.103 -29.357 1.00 0.00 ATOM 246 OE2 GLU A 30 16.725 29.780 -28.262 1.00 0.00 ATOM 247 O GLU A 30 16.120 33.279 -24.311 1.00 0.00 ATOM 248 C GLU A 30 15.490 33.890 -25.173 1.00 0.00 ATOM 249 N LEU A 31 15.866 35.102 -25.601 1.00 0.00 ATOM 250 CA LEU A 31 17.027 35.779 -25.021 1.00 0.00 ATOM 251 CB LEU A 31 17.174 37.146 -25.701 1.00 0.00 ATOM 252 CG LEU A 31 18.305 37.977 -25.085 1.00 0.00 ATOM 253 CD1 LEU A 31 19.660 37.321 -25.395 1.00 0.00 ATOM 254 CD2 LEU A 31 18.235 39.426 -25.558 1.00 0.00 ATOM 255 O LEU A 31 17.751 35.717 -22.727 1.00 0.00 ATOM 256 C LEU A 31 16.850 36.004 -23.511 1.00 0.00 ATOM 257 N LYS A 32 15.603 36.340 -23.149 1.00 0.00 ATOM 258 CA LYS A 32 15.209 36.555 -21.748 1.00 0.00 ATOM 259 CB LYS A 32 13.815 37.218 -21.719 1.00 0.00 ATOM 260 CG LYS A 32 13.817 38.645 -22.198 1.00 0.00 ATOM 261 CD LYS A 32 12.441 39.273 -22.183 1.00 0.00 ATOM 262 CE LYS A 32 12.544 40.788 -22.266 1.00 0.00 ATOM 263 NZ LYS A 32 11.333 41.421 -22.870 1.00 0.00 ATOM 264 O LYS A 32 15.719 35.247 -19.827 1.00 0.00 ATOM 265 C LYS A 32 15.213 35.253 -20.941 1.00 0.00 ATOM 266 N ARG A 33 14.766 34.158 -21.561 1.00 0.00 ATOM 267 CA ARG A 33 14.706 32.852 -20.870 1.00 0.00 ATOM 268 CB ARG A 33 14.209 31.759 -21.756 1.00 0.00 ATOM 269 CG ARG A 33 14.171 30.408 -21.062 1.00 0.00 ATOM 270 CD ARG A 33 13.217 29.433 -21.755 1.00 0.00 ATOM 271 NE ARG A 33 13.607 29.128 -23.133 1.00 0.00 ATOM 272 CZ ARG A 33 12.959 28.267 -23.915 1.00 0.00 ATOM 273 NH1 ARG A 33 11.892 27.624 -23.451 1.00 0.00 ATOM 274 NH2 ARG A 33 13.371 28.046 -25.153 1.00 0.00 ATOM 275 O ARG A 33 16.385 32.074 -19.335 1.00 0.00 ATOM 276 C ARG A 33 16.127 32.398 -20.488 1.00 0.00 ATOM 277 N LYS A 34 17.057 32.569 -21.430 1.00 0.00 ATOM 278 CA LYS A 34 18.483 32.260 -21.225 1.00 0.00 ATOM 279 CB LYS A 34 19.253 32.458 -22.533 1.00 0.00 ATOM 280 CG LYS A 34 20.713 32.057 -22.385 1.00 0.00 ATOM 281 CD LYS A 34 21.523 32.317 -23.651 1.00 0.00 ATOM 282 CE LYS A 34 23.014 32.012 -23.451 1.00 0.00 ATOM 283 NZ LYS A 34 23.798 32.190 -24.691 1.00 0.00 ATOM 284 O LYS A 34 19.724 32.656 -19.198 1.00 0.00 ATOM 285 C LYS A 34 19.068 33.145 -20.116 1.00 0.00 ATOM 286 N GLU A 35 18.822 34.460 -20.176 1.00 0.00 ATOM 287 CA GLU A 35 19.321 35.394 -19.173 1.00 0.00 ATOM 288 CB GLU A 35 18.917 36.834 -19.567 1.00 0.00 ATOM 289 CG GLU A 35 19.733 37.425 -20.691 1.00 0.00 ATOM 290 CD GLU A 35 19.146 38.727 -21.195 1.00 0.00 ATOM 291 OE1 GLU A 35 18.344 39.341 -20.457 1.00 0.00 ATOM 292 OE2 GLU A 35 19.493 39.134 -22.323 1.00 0.00 ATOM 293 O GLU A 35 19.565 35.070 -16.808 1.00 0.00 ATOM 294 C GLU A 35 18.818 35.003 -17.777 1.00 0.00 ATOM 295 N TRP A 36 17.521 34.713 -17.740 1.00 0.00 ATOM 296 CA TRP A 36 16.872 34.346 -16.475 1.00 0.00 ATOM 297 CB TRP A 36 15.255 34.521 -16.602 1.00 0.00 ATOM 298 CG TRP A 36 14.660 34.448 -15.207 1.00 0.00 ATOM 299 CD1 TRP A 36 14.391 35.544 -14.419 1.00 0.00 ATOM 300 CD2 TRP A 36 14.337 33.287 -14.420 1.00 0.00 ATOM 301 CE2 TRP A 36 13.874 33.741 -13.171 1.00 0.00 ATOM 302 CE3 TRP A 36 14.354 31.899 -14.659 1.00 0.00 ATOM 303 NE1 TRP A 36 13.885 35.127 -13.224 1.00 0.00 ATOM 304 CZ2 TRP A 36 13.427 32.883 -12.129 1.00 0.00 ATOM 305 CZ3 TRP A 36 13.926 31.059 -13.681 1.00 0.00 ATOM 306 CH2 TRP A 36 13.477 31.541 -12.436 1.00 0.00 ATOM 307 O TRP A 36 17.494 32.920 -14.669 1.00 0.00 ATOM 308 C TRP A 36 17.529 33.104 -15.870 1.00 0.00 ATOM 309 N ARG A 37 18.198 32.292 -16.835 1.00 0.00 ATOM 310 CA ARG A 37 18.908 31.108 -16.317 1.00 0.00 ATOM 311 CB ARG A 37 19.708 30.387 -17.400 1.00 0.00 ATOM 312 CG ARG A 37 18.750 29.873 -18.435 1.00 0.00 ATOM 313 CD ARG A 37 19.428 29.299 -19.662 1.00 0.00 ATOM 314 NE ARG A 37 18.464 28.578 -20.531 1.00 0.00 ATOM 315 CZ ARG A 37 18.854 27.991 -21.664 1.00 0.00 ATOM 316 NH1 ARG A 37 17.996 27.407 -22.483 1.00 0.00 ATOM 317 NH2 ARG A 37 20.124 27.980 -22.002 1.00 0.00 ATOM 318 O ARG A 37 20.170 30.743 -14.296 1.00 0.00 ATOM 319 C ARG A 37 19.944 31.480 -15.250 1.00 0.00 ATOM 320 N GLU A 38 20.459 32.692 -15.413 1.00 0.00 ATOM 321 CA GLU A 38 21.498 33.233 -14.524 1.00 0.00 ATOM 322 CB GLU A 38 22.813 33.290 -15.776 1.00 0.00 ATOM 323 CG GLU A 38 22.564 34.650 -16.418 1.00 0.00 ATOM 324 CD GLU A 38 23.638 35.132 -17.325 1.00 0.00 ATOM 325 OE1 GLU A 38 24.822 34.800 -17.144 1.00 0.00 ATOM 326 OE2 GLU A 38 23.332 35.898 -18.314 1.00 0.00 ATOM 327 O GLU A 38 21.828 34.911 -12.860 1.00 0.00 ATOM 328 C GLU A 38 21.015 34.276 -13.526 1.00 0.00 ATOM 329 N THR A 39 19.717 34.474 -13.439 1.00 0.00 ATOM 330 CA THR A 39 19.151 35.446 -12.514 1.00 0.00 ATOM 331 CB THR A 39 17.712 35.202 -12.229 1.00 0.00 ATOM 332 CG2 THR A 39 16.869 35.589 -13.426 1.00 0.00 ATOM 333 OG1 THR A 39 17.482 33.798 -12.104 1.00 0.00 ATOM 334 O THR A 39 20.256 36.345 -10.582 1.00 0.00 ATOM 335 C THR A 39 19.816 35.339 -11.139 1.00 0.00 ATOM 336 N ARG A 40 19.892 34.136 -10.577 1.00 0.00 ATOM 337 CA ARG A 40 20.496 33.950 -9.253 1.00 0.00 ATOM 338 CB ARG A 40 20.721 32.250 -9.301 1.00 0.00 ATOM 339 CG ARG A 40 19.759 31.478 -10.222 1.00 0.00 ATOM 340 CD ARG A 40 20.087 29.982 -10.186 1.00 0.00 ATOM 341 NE ARG A 40 19.743 29.403 -8.912 1.00 0.00 ATOM 342 CZ ARG A 40 18.562 29.022 -8.456 1.00 0.00 ATOM 343 NH1 ARG A 40 18.444 28.590 -7.220 1.00 0.00 ATOM 344 NH2 ARG A 40 17.485 29.059 -9.275 1.00 0.00 ATOM 345 O ARG A 40 22.454 34.874 -8.291 1.00 0.00 ATOM 346 C ARG A 40 21.978 34.289 -9.263 1.00 0.00 ATOM 347 N LYS A 41 22.661 34.002 -10.357 1.00 0.00 ATOM 348 CA LYS A 41 24.091 34.328 -10.419 1.00 0.00 ATOM 349 CB LYS A 41 24.728 33.612 -11.598 1.00 0.00 ATOM 350 CG LYS A 41 24.782 32.104 -11.379 1.00 0.00 ATOM 351 CD LYS A 41 25.336 31.474 -12.645 1.00 0.00 ATOM 352 CE LYS A 41 25.341 29.949 -12.550 1.00 0.00 ATOM 353 NZ LYS A 41 26.130 29.410 -13.660 1.00 0.00 ATOM 354 O LYS A 41 25.218 36.381 -9.838 1.00 0.00 ATOM 355 C LYS A 41 24.309 35.842 -10.503 1.00 0.00 ATOM 356 N LYS A 42 23.432 36.548 -11.260 1.00 0.00 ATOM 357 CA LYS A 42 23.522 38.013 -11.401 1.00 0.00 ATOM 358 CB LYS A 42 22.694 38.511 -12.608 1.00 0.00 ATOM 359 CG LYS A 42 23.262 38.184 -13.991 1.00 0.00 ATOM 360 CD LYS A 42 24.730 38.547 -14.120 1.00 0.00 ATOM 361 CE LYS A 42 25.199 39.055 -15.448 1.00 0.00 ATOM 362 NZ LYS A 42 24.613 38.437 -16.661 1.00 0.00 ATOM 363 O LYS A 42 23.796 39.800 -9.781 1.00 0.00 ATOM 364 C LYS A 42 23.247 38.737 -10.067 1.00 0.00 ATOM 365 N ASP A 43 22.369 38.146 -9.273 1.00 0.00 ATOM 366 CA ASP A 43 22.005 38.692 -7.954 1.00 0.00 ATOM 367 CB ASP A 43 21.098 39.927 -8.062 1.00 0.00 ATOM 368 CG ASP A 43 19.750 39.653 -8.707 1.00 0.00 ATOM 369 OD1 ASP A 43 19.328 38.484 -8.805 1.00 0.00 ATOM 370 OD2 ASP A 43 19.096 40.644 -9.100 1.00 0.00 ATOM 371 O ASP A 43 21.595 36.398 -7.359 1.00 0.00 ATOM 372 C ASP A 43 21.649 37.572 -6.974 1.00 0.00 ATOM 373 N GLY A 44 21.273 37.957 -5.681 1.00 0.00 ATOM 374 CA GLY A 44 20.842 36.975 -4.689 1.00 0.00 ATOM 375 O GLY A 44 18.926 36.511 -6.079 1.00 0.00 ATOM 376 C GLY A 44 19.663 36.144 -5.149 1.00 0.00 ATOM 377 N ASP A 45 19.424 34.967 -4.548 1.00 0.00 ATOM 378 CA ASP A 45 18.315 34.118 -4.938 1.00 0.00 ATOM 379 CB ASP A 45 18.423 32.782 -4.222 1.00 0.00 ATOM 380 CG ASP A 45 19.507 31.839 -4.760 1.00 0.00 ATOM 381 OD1 ASP A 45 20.037 32.088 -5.860 1.00 0.00 ATOM 382 OD2 ASP A 45 19.655 30.743 -4.215 1.00 0.00 ATOM 383 O ASP A 45 15.914 34.299 -5.068 1.00 0.00 ATOM 384 C ASP A 45 16.962 34.773 -4.607 1.00 0.00 ATOM 385 N ASP A 46 17.001 35.837 -3.797 1.00 0.00 ATOM 386 CA ASP A 46 15.798 36.595 -3.424 1.00 0.00 ATOM 387 CB ASP A 46 15.945 37.141 -1.994 1.00 0.00 ATOM 388 CG ASP A 46 16.170 36.049 -0.929 1.00 0.00 ATOM 389 OD1 ASP A 46 15.486 35.008 -0.999 1.00 0.00 ATOM 390 OD2 ASP A 46 17.036 36.281 -0.050 1.00 0.00 ATOM 391 O ASP A 46 14.452 38.406 -4.294 1.00 0.00 ATOM 392 C ASP A 46 15.469 37.719 -4.427 1.00 0.00 ATOM 393 N PHE A 47 16.235 37.775 -5.514 1.00 0.00 ATOM 394 CA PHE A 47 16.048 38.715 -6.623 1.00 0.00 ATOM 395 CB PHE A 47 17.217 39.681 -6.779 1.00 0.00 ATOM 396 CG PHE A 47 17.440 40.562 -5.557 1.00 0.00 ATOM 397 CD1 PHE A 47 18.304 40.161 -4.562 1.00 0.00 ATOM 398 CD2 PHE A 47 16.767 41.764 -5.487 1.00 0.00 ATOM 399 CE1 PHE A 47 18.508 40.981 -3.459 1.00 0.00 ATOM 400 CE2 PHE A 47 16.968 42.583 -4.384 1.00 0.00 ATOM 401 CZ PHE A 47 17.832 42.193 -3.379 1.00 0.00 ATOM 402 O PHE A 47 16.311 36.743 -8.009 1.00 0.00 ATOM 403 C PHE A 47 16.010 37.934 -7.932 1.00 0.00 ATOM 404 N LEU A 48 15.411 38.590 -8.917 1.00 0.00 ATOM 405 CA LEU A 48 15.461 37.981 -10.239 1.00 0.00 ATOM 406 CB LEU A 48 14.013 37.742 -10.748 1.00 0.00 ATOM 407 CG LEU A 48 13.141 36.818 -9.896 1.00 0.00 ATOM 408 CD1 LEU A 48 11.785 36.641 -10.573 1.00 0.00 ATOM 409 CD2 LEU A 48 13.832 35.472 -9.717 1.00 0.00 ATOM 410 O LEU A 48 16.469 38.290 -12.431 1.00 0.00 ATOM 411 C LEU A 48 16.275 38.762 -11.314 1.00 0.00 ATOM 412 N GLY A 49 16.551 40.054 -11.095 1.00 0.00 ATOM 413 CA GLY A 49 17.176 40.855 -12.136 1.00 0.00 ATOM 414 O GLY A 49 16.728 41.731 -14.280 1.00 0.00 ATOM 415 C GLY A 49 16.253 41.284 -13.239 1.00 0.00 ATOM 416 N ASN A 50 14.957 41.172 -13.000 1.00 0.00 ATOM 417 CA ASN A 50 13.951 41.623 -13.957 1.00 0.00 ATOM 418 CB ASN A 50 13.025 40.416 -14.307 1.00 0.00 ATOM 419 CG ASN A 50 13.701 39.404 -15.199 1.00 0.00 ATOM 420 ND2 ASN A 50 13.001 38.309 -15.489 1.00 0.00 ATOM 421 OD1 ASN A 50 14.844 39.599 -15.631 1.00 0.00 ATOM 422 O ASN A 50 12.735 43.667 -14.444 1.00 0.00 ATOM 423 C ASN A 50 13.711 43.144 -13.861 1.00 0.00 ATOM 424 N HIS A 51 11.203 42.736 -14.447 1.00 0.00 ATOM 425 CA HIS A 51 10.115 43.497 -15.211 1.00 0.00 ATOM 426 CB HIS A 51 8.977 42.534 -15.431 1.00 0.00 ATOM 427 CG HIS A 51 8.045 42.980 -16.489 1.00 0.00 ATOM 428 CD2 HIS A 51 8.264 43.497 -17.720 1.00 0.00 ATOM 429 ND1 HIS A 51 6.708 42.691 -16.423 1.00 0.00 ATOM 430 CE1 HIS A 51 6.124 43.086 -17.542 1.00 0.00 ATOM 431 NE2 HIS A 51 7.047 43.589 -18.343 1.00 0.00 ATOM 432 O HIS A 51 9.261 44.648 -13.198 1.00 0.00 ATOM 433 C HIS A 51 9.388 44.663 -14.418 1.00 0.00 ATOM 434 N ILE A 52 8.788 45.690 -15.166 1.00 0.00 ATOM 435 CA ILE A 52 8.081 46.844 -14.503 1.00 0.00 ATOM 436 CB ILE A 52 8.296 48.204 -15.214 1.00 0.00 ATOM 437 CG1 ILE A 52 9.801 48.537 -15.279 1.00 0.00 ATOM 438 CG2 ILE A 52 7.548 49.368 -14.522 1.00 0.00 ATOM 439 CD1 ILE A 52 10.167 49.700 -16.220 1.00 0.00 ATOM 440 O ILE A 52 5.974 46.151 -15.304 1.00 0.00 ATOM 441 C ILE A 52 6.605 46.617 -14.370 1.00 0.00 ATOM 442 N VAL A 53 5.976 46.827 -13.165 1.00 0.00 ATOM 443 CA VAL A 53 4.568 46.585 -12.916 1.00 0.00 ATOM 444 CB VAL A 53 4.332 45.189 -12.289 1.00 0.00 ATOM 445 CG1 VAL A 53 4.854 44.076 -13.213 1.00 0.00 ATOM 446 CG2 VAL A 53 5.004 45.155 -10.951 1.00 0.00 ATOM 447 O VAL A 53 4.446 48.157 -11.098 1.00 0.00 ATOM 448 C VAL A 53 3.969 47.803 -12.179 1.00 0.00 ATOM 449 N PRO A 54 2.865 48.356 -12.686 1.00 0.00 ATOM 450 CA PRO A 54 2.081 49.317 -11.903 1.00 0.00 ATOM 451 CB PRO A 54 1.160 50.005 -12.910 1.00 0.00 ATOM 452 CG PRO A 54 1.033 48.971 -14.023 1.00 0.00 ATOM 453 CD PRO A 54 2.460 48.425 -14.094 1.00 0.00 ATOM 454 O PRO A 54 0.658 47.649 -10.926 1.00 0.00 ATOM 455 C PRO A 54 1.365 48.652 -10.744 1.00 0.00 ATOM 456 N VAL A 55 1.597 49.171 -9.541 1.00 0.00 ATOM 457 CA VAL A 55 0.927 48.695 -8.346 1.00 0.00 ATOM 458 CB VAL A 55 1.931 48.452 -7.196 1.00 0.00 ATOM 459 CG1 VAL A 55 1.188 48.105 -5.926 1.00 0.00 ATOM 460 CG2 VAL A 55 2.875 47.321 -7.574 1.00 0.00 ATOM 461 O VAL A 55 0.292 50.920 -7.703 1.00 0.00 ATOM 462 C VAL A 55 -0.087 49.782 -7.994 1.00 0.00 ATOM 463 N VAL A 56 -1.337 49.431 -8.130 1.00 0.00 ATOM 464 CA VAL A 56 -2.393 50.437 -7.909 1.00 0.00 ATOM 465 CB VAL A 56 -3.365 50.480 -9.108 1.00 0.00 ATOM 466 CG1 VAL A 56 -4.523 51.465 -8.876 1.00 0.00 ATOM 467 CG2 VAL A 56 -2.659 50.836 -10.416 1.00 0.00 ATOM 468 O VAL A 56 -3.568 48.861 -6.538 1.00 0.00 ATOM 469 C VAL A 56 -3.120 49.997 -6.635 1.00 0.00 ATOM 470 N ALA A 57 -3.454 50.977 -5.813 1.00 0.00 ATOM 471 CA ALA A 57 -4.389 50.737 -4.699 1.00 0.00 ATOM 472 CB ALA A 57 -3.965 51.532 -3.464 1.00 0.00 ATOM 473 O ALA A 57 -5.867 52.266 -5.794 1.00 0.00 ATOM 474 C ALA A 57 -5.749 51.229 -5.147 1.00 0.00 ATOM 475 N GLY A 58 -6.814 50.458 -4.898 1.00 0.00 ATOM 476 CA GLY A 58 -8.158 50.847 -5.267 1.00 0.00 ATOM 477 O GLY A 58 -8.164 52.098 -3.236 1.00 0.00 ATOM 478 C GLY A 58 -8.779 51.793 -4.258 1.00 0.00 ATOM 479 N PRO A 59 -10.022 52.130 -4.429 1.00 0.00 ATOM 480 CA PRO A 59 -10.674 53.052 -3.495 1.00 0.00 ATOM 481 CB PRO A 59 -11.998 53.358 -4.188 1.00 0.00 ATOM 482 CG PRO A 59 -12.289 52.087 -4.912 1.00 0.00 ATOM 483 CD PRO A 59 -10.943 51.748 -5.513 1.00 0.00 ATOM 484 O PRO A 59 -10.982 53.196 -1.121 1.00 0.00 ATOM 485 C PRO A 59 -10.854 52.459 -2.096 1.00 0.00 ATOM 486 N LYS A 60 -10.843 51.127 -1.959 1.00 0.00 ATOM 487 CA LYS A 60 -11.020 50.486 -0.661 1.00 0.00 ATOM 488 CB LYS A 60 -12.181 49.490 -0.731 1.00 0.00 ATOM 489 CG LYS A 60 -13.488 50.214 -1.042 1.00 0.00 ATOM 490 CD LYS A 60 -14.612 49.191 -1.143 1.00 0.00 ATOM 491 CE LYS A 60 -16.042 49.738 -1.177 1.00 0.00 ATOM 492 NZ LYS A 60 -17.087 48.690 -1.115 1.00 0.00 ATOM 493 O LYS A 60 -9.866 48.763 0.507 1.00 0.00 ATOM 494 C LYS A 60 -9.748 49.748 -0.210 1.00 0.00 ATOM 495 N ASP A 61 -8.565 50.297 -0.740 1.00 0.00 ATOM 496 CA ASP A 61 -7.247 49.730 -0.377 1.00 0.00 ATOM 497 CB ASP A 61 -7.052 49.442 1.120 1.00 0.00 ATOM 498 CG ASP A 61 -7.139 50.684 1.993 1.00 0.00 ATOM 499 OD1 ASP A 61 -6.813 51.780 1.498 1.00 0.00 ATOM 500 OD2 ASP A 61 -7.468 50.519 3.183 1.00 0.00 ATOM 501 O ASP A 61 -5.795 47.916 -0.955 1.00 0.00 ATOM 502 C ASP A 61 -6.882 48.447 -1.109 1.00 0.00 ATOM 503 N ARG A 62 -7.746 47.971 -2.004 1.00 0.00 ATOM 504 CA ARG A 62 -7.431 46.745 -2.765 1.00 0.00 ATOM 505 CB ARG A 62 -8.566 46.381 -3.723 1.00 0.00 ATOM 506 CG ARG A 62 -9.827 45.956 -2.969 1.00 0.00 ATOM 507 CD ARG A 62 -10.896 45.608 -3.972 1.00 0.00 ATOM 508 NE ARG A 62 -12.115 45.146 -3.296 1.00 0.00 ATOM 509 CZ ARG A 62 -13.212 44.710 -3.933 1.00 0.00 ATOM 510 NH1 ARG A 62 -14.272 44.300 -3.283 1.00 0.00 ATOM 511 NH2 ARG A 62 -13.286 44.748 -5.237 1.00 0.00 ATOM 512 O ARG A 62 -5.918 48.031 -4.114 1.00 0.00 ATOM 513 C ARG A 62 -6.147 46.949 -3.576 1.00 0.00 ATOM 514 N ALA A 63 -5.331 45.906 -3.655 1.00 0.00 ATOM 515 CA ALA A 63 -4.095 45.930 -4.449 1.00 0.00 ATOM 516 CB ALA A 63 -3.008 45.091 -3.771 1.00 0.00 ATOM 517 O ALA A 63 -4.907 44.200 -5.854 1.00 0.00 ATOM 518 C ALA A 63 -4.334 45.283 -5.813 1.00 0.00 ATOM 519 N TYR A 64 -3.985 46.041 -6.855 1.00 0.00 ATOM 520 CA TYR A 64 -4.052 45.628 -8.261 1.00 0.00 ATOM 521 CB TYR A 64 -5.065 46.487 -9.028 1.00 0.00 ATOM 522 CG TYR A 64 -6.478 46.337 -8.466 1.00 0.00 ATOM 523 CD1 TYR A 64 -6.918 47.185 -7.462 1.00 0.00 ATOM 524 CD2 TYR A 64 -7.352 45.377 -8.966 1.00 0.00 ATOM 525 CE1 TYR A 64 -8.208 47.078 -6.964 1.00 0.00 ATOM 526 CE2 TYR A 64 -8.642 45.294 -8.498 1.00 0.00 ATOM 527 CZ TYR A 64 -9.076 46.130 -7.482 1.00 0.00 ATOM 528 OH TYR A 64 -10.313 45.903 -6.974 1.00 0.00 ATOM 529 O TYR A 64 -2.042 46.817 -8.874 1.00 0.00 ATOM 530 C TYR A 64 -2.693 45.778 -8.938 1.00 0.00 ATOM 531 N LEU A 65 -2.349 44.728 -9.661 1.00 0.00 ATOM 532 CA LEU A 65 -1.061 44.686 -10.362 1.00 0.00 ATOM 533 CB LEU A 65 -0.230 43.517 -9.814 1.00 0.00 ATOM 534 CG LEU A 65 -0.056 43.542 -8.299 1.00 0.00 ATOM 535 CD1 LEU A 65 0.631 42.267 -7.863 1.00 0.00 ATOM 536 CD2 LEU A 65 0.808 44.713 -7.860 1.00 0.00 ATOM 537 O LEU A 65 -1.880 43.568 -12.309 1.00 0.00 ATOM 538 C LEU A 65 -1.333 44.572 -11.849 1.00 0.00 ATOM 539 N ILE A 66 -0.971 45.615 -12.584 1.00 0.00 ATOM 540 CA ILE A 66 -1.171 45.643 -14.027 1.00 0.00 ATOM 541 CB ILE A 66 -1.724 46.984 -14.526 1.00 0.00 ATOM 542 CG1 ILE A 66 -3.073 47.262 -13.847 1.00 0.00 ATOM 543 CG2 ILE A 66 -1.815 47.022 -16.062 1.00 0.00 ATOM 544 CD1 ILE A 66 -3.592 48.691 -14.029 1.00 0.00 ATOM 545 O ILE A 66 1.140 46.078 -14.513 1.00 0.00 ATOM 546 C ILE A 66 0.189 45.343 -14.667 1.00 0.00 ATOM 547 N ASP A 67 0.275 44.268 -15.406 1.00 0.00 ATOM 548 CA ASP A 67 1.554 43.905 -16.032 1.00 0.00 ATOM 549 CB ASP A 67 1.351 42.563 -16.799 1.00 0.00 ATOM 550 CG ASP A 67 2.637 41.946 -17.263 1.00 0.00 ATOM 551 OD1 ASP A 67 2.611 41.290 -18.335 1.00 0.00 ATOM 552 OD2 ASP A 67 3.676 42.068 -16.566 1.00 0.00 ATOM 553 O ASP A 67 1.419 45.919 -17.332 1.00 0.00 ATOM 554 C ASP A 67 1.970 44.830 -17.173 1.00 0.00 ATOM 555 N HIS A 68 3.134 44.382 -17.985 1.00 0.00 ATOM 556 CA HIS A 68 3.625 45.128 -19.141 1.00 0.00 ATOM 557 CB HIS A 68 4.377 46.500 -19.050 1.00 0.00 ATOM 558 CG HIS A 68 3.643 47.784 -18.536 1.00 0.00 ATOM 559 CD2 HIS A 68 3.870 48.554 -17.461 1.00 0.00 ATOM 560 ND1 HIS A 68 2.740 48.457 -19.227 1.00 0.00 ATOM 561 CE1 HIS A 68 2.397 49.585 -18.618 1.00 0.00 ATOM 562 NE2 HIS A 68 3.107 49.650 -17.503 1.00 0.00 ATOM 563 O HIS A 68 3.022 43.798 -20.884 1.00 0.00 ATOM 564 C HIS A 68 4.029 44.022 -20.241 1.00 0.00 ATOM 565 N HIS A 69 5.182 43.338 -20.674 1.00 0.00 ATOM 566 CA HIS A 69 5.294 42.173 -21.653 1.00 0.00 ATOM 567 CB HIS A 69 4.851 42.618 -23.043 1.00 0.00 ATOM 568 CG HIS A 69 5.422 43.930 -23.480 1.00 0.00 ATOM 569 CD2 HIS A 69 6.483 44.219 -24.270 1.00 0.00 ATOM 570 ND1 HIS A 69 4.854 45.140 -23.143 1.00 0.00 ATOM 571 CE1 HIS A 69 5.553 46.119 -23.688 1.00 0.00 ATOM 572 NE2 HIS A 69 6.547 45.589 -24.376 1.00 0.00 ATOM 573 O HIS A 69 7.702 42.161 -21.508 1.00 0.00 ATOM 574 C HIS A 69 6.704 41.554 -21.887 1.00 0.00 ATOM 575 N HIS A 70 6.772 40.310 -22.593 1.00 0.00 ATOM 576 CA HIS A 70 8.017 39.602 -22.992 1.00 0.00 ATOM 577 CB HIS A 70 9.145 40.325 -23.759 1.00 0.00 ATOM 578 CG HIS A 70 8.930 40.803 -25.196 1.00 0.00 ATOM 579 CD2 HIS A 70 7.848 40.670 -25.956 1.00 0.00 ATOM 580 ND1 HIS A 70 9.768 41.574 -25.882 1.00 0.00 ATOM 581 CE1 HIS A 70 9.225 41.923 -27.042 1.00 0.00 ATOM 582 NE2 HIS A 70 8.016 41.362 -27.078 1.00 0.00 ATOM 583 O HIS A 70 8.802 37.636 -21.869 1.00 0.00 ATOM 584 C HIS A 70 8.685 38.861 -21.834 1.00 0.00 ATOM 585 N LEU A 71 8.990 39.592 -20.783 1.00 0.00 ATOM 586 CA LEU A 71 9.474 38.965 -19.544 1.00 0.00 ATOM 587 CB LEU A 71 9.781 39.972 -18.482 1.00 0.00 ATOM 588 CG LEU A 71 11.057 40.771 -18.807 1.00 0.00 ATOM 589 CD1 LEU A 71 11.273 41.818 -17.745 1.00 0.00 ATOM 590 CD2 LEU A 71 12.257 39.847 -18.929 1.00 0.00 ATOM 591 O LEU A 71 8.636 36.929 -18.577 1.00 0.00 ATOM 592 C LEU A 71 8.380 38.077 -18.930 1.00 0.00 ATOM 593 N VAL A 72 7.146 38.560 -19.010 1.00 0.00 ATOM 594 CA VAL A 72 6.015 37.771 -18.458 1.00 0.00 ATOM 595 CB VAL A 72 4.802 38.674 -18.314 1.00 0.00 ATOM 596 CG1 VAL A 72 3.599 37.833 -17.857 1.00 0.00 ATOM 597 CG2 VAL A 72 5.060 39.788 -17.307 1.00 0.00 ATOM 598 O VAL A 72 5.631 35.392 -18.788 1.00 0.00 ATOM 599 C VAL A 72 5.834 36.505 -19.294 1.00 0.00 ATOM 600 N LEU A 73 5.885 36.666 -20.610 1.00 0.00 ATOM 601 CA LEU A 73 5.698 35.504 -21.472 1.00 0.00 ATOM 602 CB LEU A 73 5.678 35.926 -22.937 1.00 0.00 ATOM 603 CG LEU A 73 4.430 36.736 -23.305 1.00 0.00 ATOM 604 CD1 LEU A 73 4.513 37.221 -24.731 1.00 0.00 ATOM 605 CD2 LEU A 73 3.203 35.841 -23.128 1.00 0.00 ATOM 606 O LEU A 73 6.556 33.270 -21.254 1.00 0.00 ATOM 607 C LEU A 73 6.806 34.476 -21.237 1.00 0.00 ATOM 608 N ALA A 74 8.040 34.948 -20.992 1.00 0.00 ATOM 609 CA ALA A 74 9.169 34.058 -20.741 1.00 0.00 ATOM 610 CB ALA A 74 10.443 34.895 -20.714 1.00 0.00 ATOM 611 O ALA A 74 9.224 32.096 -19.353 1.00 0.00 ATOM 612 C ALA A 74 8.968 33.299 -19.431 1.00 0.00 ATOM 613 N LEU A 75 8.508 34.006 -18.398 1.00 0.00 ATOM 614 CA LEU A 75 8.272 33.381 -17.101 1.00 0.00 ATOM 615 CB LEU A 75 8.072 34.498 -16.100 1.00 0.00 ATOM 616 CG LEU A 75 9.458 35.122 -15.973 1.00 0.00 ATOM 617 CD1 LEU A 75 9.330 36.303 -15.121 1.00 0.00 ATOM 618 CD2 LEU A 75 10.477 34.351 -15.145 1.00 0.00 ATOM 619 O LEU A 75 7.200 31.328 -16.493 1.00 0.00 ATOM 620 C LEU A 75 7.111 32.389 -17.097 1.00 0.00 ATOM 621 N SER A 76 6.178 32.661 -18.011 1.00 0.00 ATOM 622 CA SER A 76 5.044 31.749 -18.270 1.00 0.00 ATOM 623 CB SER A 76 4.038 32.442 -19.197 1.00 0.00 ATOM 624 OG SER A 76 2.988 31.544 -19.552 1.00 0.00 ATOM 625 O SER A 76 5.166 29.354 -18.575 1.00 0.00 ATOM 626 C SER A 76 5.555 30.462 -18.958 1.00 0.00 ATOM 627 N LYS A 77 6.389 30.632 -19.951 1.00 0.00 ATOM 628 CA LYS A 77 6.982 29.495 -20.677 1.00 0.00 ATOM 629 CB LYS A 77 7.913 29.913 -21.812 1.00 0.00 ATOM 630 CG LYS A 77 7.140 30.573 -22.933 1.00 0.00 ATOM 631 CD LYS A 77 8.061 30.883 -24.101 1.00 0.00 ATOM 632 CE LYS A 77 7.246 31.667 -25.114 1.00 0.00 ATOM 633 NZ LYS A 77 7.903 31.876 -26.415 1.00 0.00 ATOM 634 O LYS A 77 7.876 27.371 -20.038 1.00 0.00 ATOM 635 C LYS A 77 7.813 28.568 -19.795 1.00 0.00 ATOM 636 N GLU A 78 8.376 29.193 -18.774 1.00 0.00 ATOM 637 CA GLU A 78 9.181 28.403 -17.846 1.00 0.00 ATOM 638 CB GLU A 78 10.574 29.131 -17.778 1.00 0.00 ATOM 639 CG GLU A 78 11.660 28.267 -17.096 1.00 0.00 ATOM 640 CD GLU A 78 13.025 28.895 -17.032 1.00 0.00 ATOM 641 OE1 GLU A 78 13.790 28.424 -16.156 1.00 0.00 ATOM 642 OE2 GLU A 78 13.294 29.759 -17.874 1.00 0.00 ATOM 643 O GLU A 78 8.762 27.021 -15.888 1.00 0.00 ATOM 644 C GLU A 78 8.317 27.844 -16.702 1.00 0.00 ATOM 645 N GLY A 79 7.007 28.199 -16.682 1.00 0.00 ATOM 646 CA GLY A 79 6.116 27.697 -15.648 1.00 0.00 ATOM 647 O GLY A 79 6.230 27.532 -13.249 1.00 0.00 ATOM 648 C GLY A 79 6.397 28.230 -14.243 1.00 0.00 ATOM 649 N VAL A 80 6.924 29.449 -14.212 1.00 0.00 ATOM 650 CA VAL A 80 7.382 30.011 -12.931 1.00 0.00 ATOM 651 CB VAL A 80 8.487 31.068 -13.107 1.00 0.00 ATOM 652 CG1 VAL A 80 9.614 30.615 -14.032 1.00 0.00 ATOM 653 CG2 VAL A 80 7.949 32.376 -13.657 1.00 0.00 ATOM 654 O VAL A 80 5.303 31.191 -12.620 1.00 0.00 ATOM 655 C VAL A 80 6.205 30.548 -12.113 1.00 0.00 ATOM 656 N GLU A 81 6.279 30.380 -10.811 1.00 0.00 ATOM 657 CA GLU A 81 5.232 30.902 -9.921 1.00 0.00 ATOM 658 CB GLU A 81 5.358 30.223 -8.555 1.00 0.00 ATOM 659 CG GLU A 81 5.010 28.740 -8.635 1.00 0.00 ATOM 660 CD GLU A 81 6.249 27.866 -8.872 1.00 0.00 ATOM 661 OE1 GLU A 81 7.364 28.428 -9.019 1.00 0.00 ATOM 662 OE2 GLU A 81 6.089 26.657 -8.683 1.00 0.00 ATOM 663 O GLU A 81 4.237 33.107 -9.668 1.00 0.00 ATOM 664 C GLU A 81 5.253 32.424 -9.774 1.00 0.00 ATOM 665 N HIS A 82 6.480 32.933 -9.663 1.00 0.00 ATOM 666 CA HIS A 82 6.736 34.370 -9.447 1.00 0.00 ATOM 667 CB HIS A 82 7.467 34.646 -8.128 1.00 0.00 ATOM 668 CG HIS A 82 6.937 33.858 -6.947 1.00 0.00 ATOM 669 CD2 HIS A 82 5.716 33.889 -6.397 1.00 0.00 ATOM 670 ND1 HIS A 82 7.668 32.952 -6.313 1.00 0.00 ATOM 671 CE1 HIS A 82 6.900 32.420 -5.373 1.00 0.00 ATOM 672 NE2 HIS A 82 5.702 32.992 -5.412 1.00 0.00 ATOM 673 O HIS A 82 8.453 34.315 -11.133 1.00 0.00 ATOM 674 C HIS A 82 7.625 34.992 -10.518 1.00 0.00 ATOM 675 N VAL A 83 7.541 36.304 -10.578 1.00 0.00 ATOM 676 CA VAL A 83 8.385 37.159 -11.429 1.00 0.00 ATOM 677 CB VAL A 83 7.613 37.746 -12.605 1.00 0.00 ATOM 678 CG1 VAL A 83 7.217 36.637 -13.587 1.00 0.00 ATOM 679 CG2 VAL A 83 6.375 38.569 -12.166 1.00 0.00 ATOM 680 O VAL A 83 8.235 38.745 -9.638 1.00 0.00 ATOM 681 C VAL A 83 8.929 38.291 -10.541 1.00 0.00 ATOM 682 N LEU A 84 10.089 38.805 -10.936 1.00 0.00 ATOM 683 CA LEU A 84 10.615 40.018 -10.280 1.00 0.00 ATOM 684 CB LEU A 84 12.145 40.141 -10.437 1.00 0.00 ATOM 685 CG LEU A 84 12.697 41.412 -9.755 1.00 0.00 ATOM 686 CD1 LEU A 84 12.488 41.297 -8.253 1.00 0.00 ATOM 687 CD2 LEU A 84 14.162 41.624 -10.063 1.00 0.00 ATOM 688 O LEU A 84 10.176 41.481 -12.104 1.00 0.00 ATOM 689 C LEU A 84 9.944 41.209 -10.918 1.00 0.00 ATOM 690 N THR A 85 9.306 41.976 -10.070 1.00 0.00 ATOM 691 CA THR A 85 8.654 43.163 -10.611 1.00 0.00 ATOM 692 CB THR A 85 7.162 42.890 -10.726 1.00 0.00 ATOM 693 CG2 THR A 85 6.761 41.603 -11.464 1.00 0.00 ATOM 694 OG1 THR A 85 6.712 42.785 -9.402 1.00 0.00 ATOM 695 O THR A 85 9.108 44.398 -8.610 1.00 0.00 ATOM 696 C THR A 85 9.013 44.417 -9.838 1.00 0.00 ATOM 697 N SER A 86 9.022 45.519 -10.525 1.00 0.00 ATOM 698 CA SER A 86 9.217 46.815 -9.883 1.00 0.00 ATOM 699 CB SER A 86 10.059 47.754 -10.733 1.00 0.00 ATOM 700 OG SER A 86 10.070 49.064 -10.148 1.00 0.00 ATOM 701 O SER A 86 7.196 47.778 -10.748 1.00 0.00 ATOM 702 C SER A 86 7.798 47.378 -9.759 1.00 0.00 ATOM 703 N GLU A 87 7.322 47.274 -8.456 1.00 0.00 ATOM 704 CA GLU A 87 6.008 47.798 -8.095 1.00 0.00 ATOM 705 CB GLU A 87 5.676 47.457 -6.639 1.00 0.00 ATOM 706 CG GLU A 87 6.136 46.105 -6.120 1.00 0.00 ATOM 707 CD GLU A 87 5.168 45.572 -5.075 1.00 0.00 ATOM 708 OE1 GLU A 87 3.971 45.496 -5.405 1.00 0.00 ATOM 709 OE2 GLU A 87 5.674 45.094 -4.031 1.00 0.00 ATOM 710 O GLU A 87 6.946 49.817 -7.298 1.00 0.00 ATOM 711 C GLU A 87 6.124 49.315 -8.063 1.00 0.00 ATOM 712 N VAL A 88 5.492 49.994 -9.019 1.00 0.00 ATOM 713 CA VAL A 88 5.490 51.462 -9.051 1.00 0.00 ATOM 714 CB VAL A 88 5.967 52.011 -10.399 1.00 0.00 ATOM 715 CG1 VAL A 88 6.068 53.529 -10.255 1.00 0.00 ATOM 716 CG2 VAL A 88 7.312 51.423 -10.837 1.00 0.00 ATOM 717 O VAL A 88 3.120 51.618 -9.287 1.00 0.00 ATOM 718 C VAL A 88 4.122 52.044 -8.695 1.00 0.00 ATOM 719 N ALA A 89 4.007 52.950 -7.743 1.00 0.00 ATOM 720 CA ALA A 89 2.675 53.434 -7.338 1.00 0.00 ATOM 721 CB ALA A 89 2.117 52.469 -6.313 1.00 0.00 ATOM 722 O ALA A 89 3.942 55.162 -6.181 1.00 0.00 ATOM 723 C ALA A 89 2.895 54.816 -6.773 1.00 0.00 ATOM 724 N LYS A 90 1.958 55.669 -6.931 1.00 0.00 ATOM 725 CA LYS A 90 2.076 57.026 -6.405 1.00 0.00 ATOM 726 CB LYS A 90 0.939 57.906 -6.945 1.00 0.00 ATOM 727 CG LYS A 90 1.186 59.394 -6.651 1.00 0.00 ATOM 728 CD LYS A 90 0.220 60.307 -7.406 1.00 0.00 ATOM 729 CE LYS A 90 0.384 61.769 -7.008 1.00 0.00 ATOM 730 NZ LYS A 90 -0.537 62.678 -7.693 1.00 0.00 ATOM 731 O LYS A 90 1.325 56.363 -4.225 1.00 0.00 ATOM 732 C LYS A 90 2.134 57.005 -4.875 1.00 0.00 ATOM 733 N PHE A 91 3.217 57.917 -4.358 1.00 0.00 ATOM 734 CA PHE A 91 3.378 57.984 -2.900 1.00 0.00 ATOM 735 CB PHE A 91 4.603 58.886 -2.722 1.00 0.00 ATOM 736 CG PHE A 91 4.263 60.367 -2.859 1.00 0.00 ATOM 737 CD1 PHE A 91 3.891 60.933 -4.074 1.00 0.00 ATOM 738 CD2 PHE A 91 4.017 61.047 -1.681 1.00 0.00 ATOM 739 CE1 PHE A 91 3.287 62.184 -4.085 1.00 0.00 ATOM 740 CE2 PHE A 91 3.425 62.295 -1.696 1.00 0.00 ATOM 741 CZ PHE A 91 3.058 62.877 -2.906 1.00 0.00 ATOM 742 O PHE A 91 1.536 58.024 -1.341 1.00 0.00 ATOM 743 C PHE A 91 2.074 58.549 -2.317 1.00 0.00 ATOM 744 N SER A 92 1.501 59.597 -2.935 1.00 0.00 ATOM 745 CA SER A 92 0.269 60.219 -2.459 1.00 0.00 ATOM 746 CB SER A 92 -0.014 61.528 -3.217 1.00 0.00 ATOM 747 OG SER A 92 -0.182 61.267 -4.601 1.00 0.00 ATOM 748 O SER A 92 -2.083 59.736 -2.246 1.00 0.00 ATOM 749 C SER A 92 -0.999 59.367 -2.684 1.00 0.00 ATOM 750 N HIS A 93 -0.889 58.404 -3.597 1.00 0.00 ATOM 751 CA HIS A 93 -2.029 57.571 -3.998 1.00 0.00 ATOM 752 CB HIS A 93 -2.637 58.411 -5.287 1.00 0.00 ATOM 753 CG HIS A 93 -3.787 57.741 -5.967 1.00 0.00 ATOM 754 CD2 HIS A 93 -3.821 56.870 -7.009 1.00 0.00 ATOM 755 ND1 HIS A 93 -5.098 57.911 -5.573 1.00 0.00 ATOM 756 CE1 HIS A 93 -5.885 57.181 -6.340 1.00 0.00 ATOM 757 NE2 HIS A 93 -5.136 56.541 -7.217 1.00 0.00 ATOM 758 O HIS A 93 -2.769 55.292 -4.035 1.00 0.00 ATOM 759 C HIS A 93 -2.032 56.127 -3.531 1.00 0.00 ATOM 760 N LEU A 94 -1.206 55.776 -2.468 1.00 0.00 ATOM 761 CA LEU A 94 -1.195 54.437 -1.865 1.00 0.00 ATOM 762 CB LEU A 94 0.284 54.106 -1.579 1.00 0.00 ATOM 763 CG LEU A 94 1.169 53.959 -2.834 1.00 0.00 ATOM 764 CD1 LEU A 94 2.613 53.593 -2.491 1.00 0.00 ATOM 765 CD2 LEU A 94 0.645 52.807 -3.669 1.00 0.00 ATOM 766 O LEU A 94 -2.320 55.449 -0.004 1.00 0.00 ATOM 767 C LEU A 94 -1.995 54.401 -0.566 1.00 0.00 ATOM 768 N GLY A 95 -2.415 53.177 -0.046 1.00 0.00 ATOM 769 CA GLY A 95 -3.196 53.065 1.173 1.00 0.00 ATOM 770 O GLY A 95 -1.195 52.388 2.345 1.00 0.00 ATOM 771 C GLY A 95 -2.393 52.640 2.436 1.00 0.00 ATOM 772 N LYS A 96 -3.018 52.536 3.628 1.00 0.00 ATOM 773 CA LYS A 96 -2.269 52.282 4.891 1.00 0.00 ATOM 774 CB LYS A 96 -3.135 52.373 6.152 1.00 0.00 ATOM 775 CG LYS A 96 -3.624 53.784 6.450 1.00 0.00 ATOM 776 CD LYS A 96 -4.474 53.776 7.714 1.00 0.00 ATOM 777 CE LYS A 96 -5.040 55.168 8.002 1.00 0.00 ATOM 778 NZ LYS A 96 -5.894 55.217 9.192 1.00 0.00 ATOM 779 O LYS A 96 -0.339 50.870 5.064 1.00 0.00 ATOM 780 C LYS A 96 -1.550 50.931 4.876 1.00 0.00 ATOM 781 N ASP A 97 -2.275 49.905 4.421 1.00 0.00 ATOM 782 CA ASP A 97 -1.713 48.538 4.298 1.00 0.00 ATOM 783 CB ASP A 97 -2.741 47.513 3.837 1.00 0.00 ATOM 784 CG ASP A 97 -3.802 47.223 4.887 1.00 0.00 ATOM 785 OD1 ASP A 97 -3.551 47.568 6.067 1.00 0.00 ATOM 786 OD2 ASP A 97 -4.839 46.686 4.459 1.00 0.00 ATOM 787 O ASP A 97 0.483 47.945 3.562 1.00 0.00 ATOM 788 C ASP A 97 -0.581 48.486 3.275 1.00 0.00 ATOM 789 N GLU A 98 -0.821 49.134 2.139 1.00 0.00 ATOM 790 CA GLU A 98 0.164 49.190 1.042 1.00 0.00 ATOM 791 CB GLU A 98 -0.402 49.850 -0.194 1.00 0.00 ATOM 792 CG GLU A 98 -1.300 48.944 -1.018 1.00 0.00 ATOM 793 CD GLU A 98 -1.636 49.526 -2.387 1.00 0.00 ATOM 794 OE1 GLU A 98 -2.467 48.921 -3.097 1.00 0.00 ATOM 795 OE2 GLU A 98 -1.071 50.581 -2.761 1.00 0.00 ATOM 796 O GLU A 98 2.543 49.455 1.123 1.00 0.00 ATOM 797 C GLU A 98 1.443 49.879 1.509 1.00 0.00 ATOM 798 N PHE A 99 1.376 50.932 2.305 1.00 0.00 ATOM 799 CA PHE A 99 2.560 51.632 2.793 1.00 0.00 ATOM 800 CB PHE A 99 2.232 52.878 3.605 1.00 0.00 ATOM 801 CG PHE A 99 1.746 54.021 2.735 1.00 0.00 ATOM 802 CD1 PHE A 99 2.478 54.438 1.635 1.00 0.00 ATOM 803 CD2 PHE A 99 0.543 54.611 3.078 1.00 0.00 ATOM 804 CE1 PHE A 99 1.987 55.463 0.849 1.00 0.00 ATOM 805 CE2 PHE A 99 0.050 55.627 2.283 1.00 0.00 ATOM 806 CZ PHE A 99 0.770 56.026 1.167 1.00 0.00 ATOM 807 O PHE A 99 4.539 50.617 3.685 1.00 0.00 ATOM 808 C PHE A 99 3.321 50.734 3.770 1.00 0.00 ATOM 809 N TRP A 100 2.597 50.082 4.671 1.00 0.00 ATOM 810 CA TRP A 100 3.251 49.190 5.625 1.00 0.00 ATOM 811 CB TRP A 100 2.227 48.666 6.633 1.00 0.00 ATOM 812 CG TRP A 100 1.754 49.762 7.587 1.00 0.00 ATOM 813 CD1 TRP A 100 0.537 50.311 7.615 1.00 0.00 ATOM 814 CD2 TRP A 100 2.475 50.327 8.634 1.00 0.00 ATOM 815 CE2 TRP A 100 1.618 51.200 9.282 1.00 0.00 ATOM 816 CE3 TRP A 100 3.783 50.198 9.076 1.00 0.00 ATOM 817 NE1 TRP A 100 0.472 51.174 8.620 1.00 0.00 ATOM 818 CZ2 TRP A 100 2.038 51.900 10.403 1.00 0.00 ATOM 819 CZ3 TRP A 100 4.224 50.912 10.179 1.00 0.00 ATOM 820 CH2 TRP A 100 3.343 51.744 10.851 1.00 0.00 ATOM 821 O TRP A 100 5.079 47.704 5.212 1.00 0.00 ATOM 822 C TRP A 100 3.937 48.039 4.911 1.00 0.00 ATOM 823 N SER A 101 3.256 47.427 3.952 1.00 0.00 ATOM 824 CA SER A 101 3.817 46.311 3.203 1.00 0.00 ATOM 825 CB SER A 101 2.824 45.668 2.253 1.00 0.00 ATOM 826 OG SER A 101 2.263 46.598 1.346 1.00 0.00 ATOM 827 O SER A 101 6.009 45.961 2.317 1.00 0.00 ATOM 828 C SER A 101 5.011 46.699 2.386 1.00 0.00 ATOM 829 N VAL A 102 4.963 47.892 1.718 1.00 0.00 ATOM 830 CA VAL A 102 6.099 48.355 0.924 1.00 0.00 ATOM 831 CB VAL A 102 5.728 49.735 0.263 1.00 0.00 ATOM 832 CG1 VAL A 102 6.978 50.406 -0.295 1.00 0.00 ATOM 833 CG2 VAL A 102 4.698 49.534 -0.838 1.00 0.00 ATOM 834 O VAL A 102 8.446 48.107 1.403 1.00 0.00 ATOM 835 C VAL A 102 7.358 48.555 1.780 1.00 0.00 ATOM 836 N MET A 103 7.182 49.240 2.899 1.00 0.00 ATOM 837 CA MET A 103 8.295 49.456 3.844 1.00 0.00 ATOM 838 CB MET A 103 7.943 50.331 5.039 1.00 0.00 ATOM 839 CG MET A 103 7.808 51.807 4.659 1.00 0.00 ATOM 840 SD MET A 103 9.282 52.578 3.880 1.00 0.00 ATOM 841 CE MET A 103 10.615 52.213 5.012 1.00 0.00 ATOM 842 O MET A 103 9.963 47.978 4.657 1.00 0.00 ATOM 843 C MET A 103 8.764 48.152 4.432 1.00 0.00 ATOM 844 N ASP A 104 7.906 47.086 4.656 1.00 0.00 ATOM 845 CA ASP A 104 8.378 45.856 5.271 1.00 0.00 ATOM 846 CB ASP A 104 7.196 44.965 5.594 1.00 0.00 ATOM 847 CG ASP A 104 6.482 45.431 6.851 1.00 0.00 ATOM 848 OD1 ASP A 104 7.114 46.065 7.724 1.00 0.00 ATOM 849 OD2 ASP A 104 5.343 44.957 6.951 1.00 0.00 ATOM 850 O ASP A 104 10.422 44.664 4.826 1.00 0.00 ATOM 851 C ASP A 104 9.336 45.061 4.391 1.00 0.00 ATOM 852 N HIS A 105 9.010 45.053 3.109 1.00 0.00 ATOM 853 CA HIS A 105 9.864 44.418 2.104 1.00 0.00 ATOM 854 CB HIS A 105 9.098 44.351 0.743 1.00 0.00 ATOM 855 CG HIS A 105 9.842 43.548 -0.283 1.00 0.00 ATOM 856 CD2 HIS A 105 10.959 43.838 -0.986 1.00 0.00 ATOM 857 ND1 HIS A 105 9.481 42.280 -0.660 1.00 0.00 ATOM 858 CE1 HIS A 105 10.331 41.826 -1.572 1.00 0.00 ATOM 859 NE2 HIS A 105 11.240 42.760 -1.786 1.00 0.00 ATOM 860 O HIS A 105 12.237 44.510 1.795 1.00 0.00 ATOM 861 C HIS A 105 11.197 45.145 1.957 1.00 0.00 ATOM 862 N ARG A 106 11.156 46.484 1.968 1.00 0.00 ATOM 863 CA ARG A 106 12.390 47.251 1.844 1.00 0.00 ATOM 864 CB ARG A 106 12.159 48.719 1.991 1.00 0.00 ATOM 865 CG ARG A 106 11.691 49.319 0.667 1.00 0.00 ATOM 866 CD ARG A 106 11.149 50.739 0.769 1.00 0.00 ATOM 867 NE ARG A 106 10.782 51.257 -0.550 1.00 0.00 ATOM 868 CZ ARG A 106 10.025 52.332 -0.752 1.00 0.00 ATOM 869 NH1 ARG A 106 9.542 53.016 0.279 1.00 0.00 ATOM 870 NH2 ARG A 106 9.747 52.730 -1.990 1.00 0.00 ATOM 871 O ARG A 106 14.451 46.689 2.941 1.00 0.00 ATOM 872 C ARG A 106 13.249 46.917 3.061 1.00 0.00 ATOM 873 N ASN A 107 12.615 46.882 4.221 1.00 0.00 ATOM 874 CA ASN A 107 13.333 46.560 5.445 1.00 0.00 ATOM 875 CB ASN A 107 12.613 46.602 6.694 1.00 0.00 ATOM 876 CG ASN A 107 12.351 48.035 7.139 1.00 0.00 ATOM 877 ND2 ASN A 107 11.185 48.299 7.750 1.00 0.00 ATOM 878 OD1 ASN A 107 13.202 48.904 6.910 1.00 0.00 ATOM 879 O ASN A 107 15.106 44.993 5.299 1.00 0.00 ATOM 880 C ASN A 107 13.902 45.159 5.308 1.00 0.00 ATOM 881 N LEU A 108 13.222 44.160 4.949 1.00 0.00 ATOM 882 CA LEU A 108 13.660 42.779 4.729 1.00 0.00 ATOM 883 CB LEU A 108 13.879 42.229 6.162 1.00 0.00 ATOM 884 CG LEU A 108 14.359 40.774 6.251 1.00 0.00 ATOM 885 CD1 LEU A 108 15.708 40.682 5.594 1.00 0.00 ATOM 886 CD2 LEU A 108 14.508 40.301 7.693 1.00 0.00 ATOM 887 O LEU A 108 11.370 42.883 3.964 1.00 0.00 ATOM 888 C LEU A 108 12.513 42.438 3.774 1.00 0.00 ATOM 889 N ILE A 109 12.787 41.608 2.655 1.00 0.00 ATOM 890 CA ILE A 109 11.778 41.176 1.680 1.00 0.00 ATOM 891 CB ILE A 109 11.861 39.612 1.421 1.00 0.00 ATOM 892 CG1 ILE A 109 13.267 39.101 1.153 1.00 0.00 ATOM 893 CG2 ILE A 109 10.887 39.159 0.341 1.00 0.00 ATOM 894 CD1 ILE A 109 13.494 37.596 1.224 1.00 0.00 ATOM 895 O ILE A 109 9.776 41.528 2.913 1.00 0.00 ATOM 896 C ILE A 109 10.619 40.711 2.574 1.00 0.00 ATOM 897 N TYR A 110 10.723 39.402 3.135 1.00 0.00 ATOM 898 CA TYR A 110 9.870 38.764 4.145 1.00 0.00 ATOM 899 CB TYR A 110 8.879 37.887 3.393 1.00 0.00 ATOM 900 CG TYR A 110 7.774 38.637 2.683 1.00 0.00 ATOM 901 CD1 TYR A 110 6.756 39.247 3.397 1.00 0.00 ATOM 902 CD2 TYR A 110 7.756 38.745 1.296 1.00 0.00 ATOM 903 CE1 TYR A 110 5.738 39.931 2.754 1.00 0.00 ATOM 904 CE2 TYR A 110 6.750 39.434 0.642 1.00 0.00 ATOM 905 CZ TYR A 110 5.742 40.019 1.379 1.00 0.00 ATOM 906 OH TYR A 110 4.721 40.702 0.750 1.00 0.00 ATOM 907 O TYR A 110 10.872 36.644 4.743 1.00 0.00 ATOM 908 C TYR A 110 10.549 37.775 5.117 1.00 0.00 ATOM 909 N PRO A 111 10.745 38.157 6.377 1.00 0.00 ATOM 910 CA PRO A 111 11.312 37.250 7.383 1.00 0.00 ATOM 911 CB PRO A 111 11.035 38.125 8.598 1.00 0.00 ATOM 912 CG PRO A 111 11.511 39.481 8.175 1.00 0.00 ATOM 913 CD PRO A 111 10.872 39.649 6.827 1.00 0.00 ATOM 914 O PRO A 111 9.157 36.434 8.061 1.00 0.00 ATOM 915 C PRO A 111 10.277 36.180 7.648 1.00 0.00 ATOM 916 N PHE A 112 10.692 34.921 7.348 1.00 0.00 ATOM 917 CA PHE A 112 9.883 33.735 7.666 1.00 0.00 ATOM 918 CB PHE A 112 9.506 32.953 6.403 1.00 0.00 ATOM 919 CG PHE A 112 8.536 33.671 5.477 1.00 0.00 ATOM 920 CD1 PHE A 112 8.970 34.041 4.220 1.00 0.00 ATOM 921 CD2 PHE A 112 7.237 33.898 5.871 1.00 0.00 ATOM 922 CE1 PHE A 112 8.080 34.655 3.360 1.00 0.00 ATOM 923 CE2 PHE A 112 6.333 34.503 5.022 1.00 0.00 ATOM 924 CZ PHE A 112 6.774 34.877 3.759 1.00 0.00 ATOM 925 O PHE A 112 11.953 32.779 8.425 1.00 0.00 ATOM 926 C PHE A 112 10.719 32.762 8.482 1.00 0.00 ATOM 927 N ASP A 113 10.004 31.984 9.284 1.00 0.00 ATOM 928 CA ASP A 113 10.642 30.937 10.102 1.00 0.00 ATOM 929 CB ASP A 113 9.803 30.635 11.343 1.00 0.00 ATOM 930 CG ASP A 113 8.466 29.949 11.073 1.00 0.00 ATOM 931 OD1 ASP A 113 8.251 29.357 9.992 1.00 0.00 ATOM 932 OD2 ASP A 113 7.750 29.890 12.059 1.00 0.00 ATOM 933 O ASP A 113 10.694 29.635 8.072 1.00 0.00 ATOM 934 C ASP A 113 10.919 29.671 9.275 1.00 0.00 ATOM 935 N ALA A 114 11.300 28.599 9.969 1.00 0.00 ATOM 936 CA ALA A 114 11.605 27.316 9.287 1.00 0.00 ATOM 937 CB ALA A 114 12.084 26.269 10.282 1.00 0.00 ATOM 938 O ALA A 114 10.581 25.949 7.613 1.00 0.00 ATOM 939 C ALA A 114 10.400 26.678 8.592 1.00 0.00 ATOM 940 N GLN A 115 9.226 26.890 9.151 1.00 0.00 ATOM 941 CA GLN A 115 7.973 26.370 8.582 1.00 0.00 ATOM 942 CB GLN A 115 6.905 26.283 9.658 1.00 0.00 ATOM 943 CG GLN A 115 7.118 25.166 10.670 1.00 0.00 ATOM 944 CD GLN A 115 8.349 25.354 11.527 1.00 0.00 ATOM 945 OE1 GLN A 115 8.490 26.370 12.218 1.00 0.00 ATOM 946 NE2 GLN A 115 9.256 24.384 11.476 1.00 0.00 ATOM 947 O GLN A 115 6.439 26.993 6.840 1.00 0.00 ATOM 948 C GLN A 115 7.426 27.314 7.489 1.00 0.00 ATOM 949 N GLY A 116 8.096 28.485 7.271 1.00 0.00 ATOM 950 CA GLY A 116 7.701 29.455 6.252 1.00 0.00 ATOM 951 O GLY A 116 6.397 31.429 5.986 1.00 0.00 ATOM 952 C GLY A 116 6.769 30.547 6.751 1.00 0.00 ATOM 953 N LEU A 117 6.324 30.492 8.052 1.00 0.00 ATOM 954 CA LEU A 117 5.478 31.527 8.635 1.00 0.00 ATOM 955 CB LEU A 117 4.842 31.006 9.927 1.00 0.00 ATOM 956 CG LEU A 117 3.910 29.809 9.719 1.00 0.00 ATOM 957 CD1 LEU A 117 3.297 29.359 11.027 1.00 0.00 ATOM 958 CD2 LEU A 117 2.727 30.174 8.826 1.00 0.00 ATOM 959 O LEU A 117 7.331 32.736 9.579 1.00 0.00 ATOM 960 C LEU A 117 6.246 32.808 8.985 1.00 0.00 ATOM 961 N ARG A 118 5.690 33.969 8.688 1.00 0.00 ATOM 962 CA ARG A 118 6.287 35.246 9.010 1.00 0.00 ATOM 963 CB ARG A 118 5.845 36.377 8.058 1.00 0.00 ATOM 964 CG ARG A 118 4.361 36.704 8.092 1.00 0.00 ATOM 965 CD ARG A 118 4.072 37.937 7.235 1.00 0.00 ATOM 966 NE ARG A 118 2.674 38.366 7.298 1.00 0.00 ATOM 967 CZ ARG A 118 1.998 38.765 8.390 1.00 0.00 ATOM 968 NH1 ARG A 118 2.565 38.855 9.580 1.00 0.00 ATOM 969 NH2 ARG A 118 0.728 39.061 8.338 1.00 0.00 ATOM 970 O ARG A 118 5.589 34.963 11.295 1.00 0.00 ATOM 971 C ARG A 118 6.326 35.567 10.525 1.00 0.00 ATOM 972 N ARG A 119 7.300 36.379 10.930 1.00 0.00 ATOM 973 CA ARG A 119 7.488 36.785 12.355 1.00 0.00 ATOM 974 CB ARG A 119 8.196 35.648 13.122 1.00 0.00 ATOM 975 CG ARG A 119 7.373 34.343 13.079 1.00 0.00 ATOM 976 CD ARG A 119 8.143 33.233 13.866 1.00 0.00 ATOM 977 NE ARG A 119 8.225 33.542 15.310 1.00 0.00 ATOM 978 CZ ARG A 119 8.852 32.761 16.200 1.00 0.00 ATOM 979 NH1 ARG A 119 9.472 31.618 15.781 1.00 0.00 ATOM 980 NH2 ARG A 119 8.810 33.114 17.514 1.00 0.00 ATOM 981 O ARG A 119 8.206 38.625 13.697 1.00 0.00 ATOM 982 C ARG A 119 8.233 38.099 12.586 1.00 0.00 ATOM 983 N GLN A 120 8.929 38.666 11.637 1.00 0.00 ATOM 984 CA GLN A 120 9.702 39.900 11.796 1.00 0.00 ATOM 985 CB GLN A 120 11.117 39.760 11.257 1.00 0.00 ATOM 986 CG GLN A 120 11.986 41.013 11.238 1.00 0.00 ATOM 987 CD GLN A 120 12.416 41.199 12.679 1.00 0.00 ATOM 988 OE1 GLN A 120 12.955 40.328 13.341 1.00 0.00 ATOM 989 NE2 GLN A 120 12.274 42.400 13.146 1.00 0.00 ATOM 990 O GLN A 120 8.289 41.824 11.939 1.00 0.00 ATOM 991 C GLN A 120 8.992 41.123 11.220 1.00 0.00 ATOM 992 N SER A 121 9.148 41.312 9.820 1.00 0.00 ATOM 993 CA SER A 121 8.497 42.433 9.117 1.00 0.00 ATOM 994 CB SER A 121 8.917 42.550 7.661 1.00 0.00 ATOM 995 OG SER A 121 8.410 41.451 6.891 1.00 0.00 ATOM 996 O SER A 121 6.287 43.335 9.147 1.00 0.00 ATOM 997 C SER A 121 6.976 42.329 9.189 1.00 0.00 ATOM 998 N GLY A 122 6.480 41.107 9.392 1.00 0.00 ATOM 999 CA GLY A 122 5.044 40.810 9.473 1.00 0.00 ATOM 1000 O GLY A 122 3.074 41.476 10.652 1.00 0.00 ATOM 1001 C GLY A 122 4.310 41.420 10.675 1.00 0.00 ATOM 1002 N ASP A 123 5.063 41.769 11.707 1.00 0.00 ATOM 1003 CA ASP A 123 4.448 42.159 12.986 1.00 0.00 ATOM 1004 CB ASP A 123 5.501 42.276 14.074 1.00 0.00 ATOM 1005 CG ASP A 123 6.059 40.915 14.530 1.00 0.00 ATOM 1006 OD1 ASP A 123 5.474 39.858 14.187 1.00 0.00 ATOM 1007 OD2 ASP A 123 7.057 40.992 15.262 1.00 0.00 ATOM 1008 O ASP A 123 2.619 43.637 13.375 1.00 0.00 ATOM 1009 C ASP A 123 3.716 43.478 12.837 1.00 0.00 ATOM 1010 N ILE A 124 4.306 44.424 12.156 1.00 0.00 ATOM 1011 CA ILE A 124 3.646 45.731 12.033 1.00 0.00 ATOM 1012 CB ILE A 124 4.634 46.779 11.502 1.00 0.00 ATOM 1013 CG1 ILE A 124 5.836 46.860 12.442 1.00 0.00 ATOM 1014 CG2 ILE A 124 3.897 48.112 11.470 1.00 0.00 ATOM 1015 CD1 ILE A 124 6.961 47.692 11.836 1.00 0.00 ATOM 1016 O ILE A 124 1.316 46.116 11.675 1.00 0.00 ATOM 1017 C ILE A 124 2.345 45.639 11.208 1.00 0.00 ATOM 1018 N PRO A 125 2.345 44.873 10.110 1.00 0.00 ATOM 1019 CA PRO A 125 1.122 44.658 9.323 1.00 0.00 ATOM 1020 CB PRO A 125 1.578 43.703 8.241 1.00 0.00 ATOM 1021 CG PRO A 125 3.009 44.098 7.971 1.00 0.00 ATOM 1022 CD PRO A 125 3.514 44.367 9.378 1.00 0.00 ATOM 1023 O PRO A 125 -1.165 44.265 9.925 1.00 0.00 ATOM 1024 C PRO A 125 0.012 43.992 10.141 1.00 0.00 ATOM 1025 N LYS A 126 0.390 43.107 11.067 1.00 0.00 ATOM 1026 CA LYS A 126 -0.594 42.425 11.941 1.00 0.00 ATOM 1027 CB LYS A 126 0.130 41.421 12.850 1.00 0.00 ATOM 1028 CG LYS A 126 -0.865 40.722 13.768 1.00 0.00 ATOM 1029 CD LYS A 126 -0.111 39.690 14.581 1.00 0.00 ATOM 1030 CE LYS A 126 -1.072 38.883 15.415 1.00 0.00 ATOM 1031 NZ LYS A 126 -0.339 37.909 16.213 1.00 0.00 ATOM 1032 O LYS A 126 -2.593 43.367 12.841 1.00 0.00 ATOM 1033 C LYS A 126 -1.368 43.412 12.805 1.00 0.00 ATOM 1034 N ASN A 127 -0.628 44.289 13.479 1.00 0.00 ATOM 1035 CA ASN A 127 -1.272 45.322 14.288 1.00 0.00 ATOM 1036 CB ASN A 127 -0.252 46.063 15.125 1.00 0.00 ATOM 1037 CG ASN A 127 0.144 45.295 16.373 1.00 0.00 ATOM 1038 ND2 ASN A 127 1.311 45.610 16.861 1.00 0.00 ATOM 1039 OD1 ASN A 127 -0.539 44.436 16.919 1.00 0.00 ATOM 1040 O ASN A 127 -3.091 46.848 13.964 1.00 0.00 ATOM 1041 C ASN A 127 -2.097 46.312 13.477 1.00 0.00 ATOM 1042 N ILE A 128 -1.690 46.550 12.215 1.00 0.00 ATOM 1043 CA ILE A 128 -2.440 47.456 11.354 1.00 0.00 ATOM 1044 CB ILE A 128 -1.733 47.804 10.064 1.00 0.00 ATOM 1045 CG1 ILE A 128 -0.436 48.536 10.398 1.00 0.00 ATOM 1046 CG2 ILE A 128 -2.625 48.643 9.164 1.00 0.00 ATOM 1047 CD1 ILE A 128 -0.608 49.724 11.321 1.00 0.00 ATOM 1048 O ILE A 128 -4.826 47.472 11.136 1.00 0.00 ATOM 1049 C ILE A 128 -3.793 46.809 11.067 1.00 0.00 ATOM 1050 N HIS A 129 -3.771 45.519 10.761 1.00 0.00 ATOM 1051 CA HIS A 129 -5.023 44.798 10.518 1.00 0.00 ATOM 1052 CB HIS A 129 -4.661 43.362 10.120 1.00 0.00 ATOM 1053 CG HIS A 129 -5.897 42.600 9.617 1.00 0.00 ATOM 1054 CD2 HIS A 129 -6.645 41.791 10.344 1.00 0.00 ATOM 1055 ND1 HIS A 129 -6.470 42.656 8.417 1.00 0.00 ATOM 1056 CE1 HIS A 129 -7.591 41.953 8.468 1.00 0.00 ATOM 1057 NE2 HIS A 129 -7.710 41.405 9.664 1.00 0.00 ATOM 1058 O HIS A 129 -7.127 45.129 11.492 1.00 0.00 ATOM 1059 C HIS A 129 -5.970 44.818 11.716 1.00 0.00 ATOM 1060 N ASP A 130 -5.407 44.663 12.909 1.00 0.00 ATOM 1061 CA ASP A 130 -6.154 44.711 14.190 1.00 0.00 ATOM 1062 CB ASP A 130 -5.504 43.708 15.162 1.00 0.00 ATOM 1063 CG ASP A 130 -6.348 43.528 16.427 1.00 0.00 ATOM 1064 OD1 ASP A 130 -7.281 44.322 16.601 1.00 0.00 ATOM 1065 OD2 ASP A 130 -6.134 42.507 17.128 1.00 0.00 ATOM 1066 O ASP A 130 -4.741 46.603 14.590 1.00 0.00 ATOM 1067 C ASP A 130 -5.883 46.142 14.644 1.00 0.00 ATOM 1068 N LEU A 131 -6.927 46.856 15.056 1.00 0.00 ATOM 1069 CA LEU A 131 -6.756 48.240 15.488 1.00 0.00 ATOM 1070 CB LEU A 131 -7.499 49.205 14.584 1.00 0.00 ATOM 1071 CG LEU A 131 -7.190 49.034 13.110 1.00 0.00 ATOM 1072 CD1 LEU A 131 -8.206 49.852 12.332 1.00 0.00 ATOM 1073 CD2 LEU A 131 -5.766 49.510 12.796 1.00 0.00 ATOM 1074 O LEU A 131 -8.082 48.357 17.483 1.00 0.00 ATOM 1075 C LEU A 131 -7.027 48.658 16.932 1.00 0.00 ATOM 1076 N GLU A 132 -6.065 49.396 17.613 1.00 0.00 ATOM 1077 CA GLU A 132 -6.200 49.835 18.998 1.00 0.00 ATOM 1078 CB GLU A 132 -6.471 48.915 20.220 1.00 0.00 ATOM 1079 CG GLU A 132 -7.885 48.318 20.237 1.00 0.00 ATOM 1080 CD GLU A 132 -8.197 47.266 21.294 1.00 0.00 ATOM 1081 OE1 GLU A 132 -7.330 47.079 22.167 1.00 0.00 ATOM 1082 OE2 GLU A 132 -9.403 46.912 21.379 1.00 0.00 ATOM 1083 O GLU A 132 -3.837 50.074 18.677 1.00 0.00 ATOM 1084 C GLU A 132 -4.831 50.433 19.310 1.00 0.00 ATOM 1085 N ASP A 133 -4.722 51.283 20.309 1.00 0.00 ATOM 1086 CA ASP A 133 -3.463 51.921 20.686 1.00 0.00 ATOM 1087 CB ASP A 133 -3.595 52.831 21.907 1.00 0.00 ATOM 1088 CG ASP A 133 -4.367 54.116 21.628 1.00 0.00 ATOM 1089 OD1 ASP A 133 -4.587 54.407 20.434 1.00 0.00 ATOM 1090 OD2 ASP A 133 -4.605 54.841 22.628 1.00 0.00 ATOM 1091 O ASP A 133 -1.293 50.997 20.708 1.00 0.00 ATOM 1092 C ASP A 133 -2.478 50.836 20.915 1.00 0.00 ATOM 1093 N ASP A 134 -3.033 49.644 21.423 1.00 0.00 ATOM 1094 CA ASP A 134 -2.262 48.474 21.785 1.00 0.00 ATOM 1095 CB ASP A 134 -3.122 47.339 22.325 1.00 0.00 ATOM 1096 CG ASP A 134 -3.659 47.584 23.722 1.00 0.00 ATOM 1097 OD1 ASP A 134 -2.959 48.250 24.516 1.00 0.00 ATOM 1098 OD2 ASP A 134 -4.701 46.980 24.022 1.00 0.00 ATOM 1099 O ASP A 134 -0.185 47.893 20.782 1.00 0.00 ATOM 1100 C ASP A 134 -1.412 47.962 20.614 1.00 0.00 ATOM 1101 N PRO A 135 -1.980 47.812 19.397 1.00 0.00 ATOM 1102 CA PRO A 135 -1.176 47.507 18.203 1.00 0.00 ATOM 1103 CB PRO A 135 -2.277 47.539 17.103 1.00 0.00 ATOM 1104 CG PRO A 135 -3.520 47.100 17.812 1.00 0.00 ATOM 1105 CD PRO A 135 -3.427 47.752 19.164 1.00 0.00 ATOM 1106 O PRO A 135 1.023 48.159 17.485 1.00 0.00 ATOM 1107 C PRO A 135 -0.077 48.526 17.902 1.00 0.00 ATOM 1108 N PHE A 136 -0.382 49.838 18.232 1.00 0.00 ATOM 1109 CA PHE A 136 0.583 50.896 17.970 1.00 0.00 ATOM 1110 CB PHE A 136 -0.085 52.160 18.524 1.00 0.00 ATOM 1111 CG PHE A 136 0.582 53.518 18.288 1.00 0.00 ATOM 1112 CD1 PHE A 136 -0.044 54.324 17.361 1.00 0.00 ATOM 1113 CD2 PHE A 136 1.809 53.930 18.814 1.00 0.00 ATOM 1114 CE1 PHE A 136 0.498 55.529 16.953 1.00 0.00 ATOM 1115 CE2 PHE A 136 2.361 55.122 18.374 1.00 0.00 ATOM 1116 CZ PHE A 136 1.717 55.919 17.437 1.00 0.00 ATOM 1117 O PHE A 136 2.962 50.892 18.330 1.00 0.00 ATOM 1118 C PHE A 136 1.840 50.761 18.825 1.00 0.00 ATOM 1119 N ARG A 137 1.639 50.540 20.106 1.00 0.00 ATOM 1120 CA ARG A 137 2.749 50.381 21.039 1.00 0.00 ATOM 1121 CB ARG A 137 2.264 50.321 22.477 1.00 0.00 ATOM 1122 CG ARG A 137 1.551 51.607 22.874 1.00 0.00 ATOM 1123 CD ARG A 137 1.072 51.457 24.316 1.00 0.00 ATOM 1124 NE ARG A 137 -0.064 52.346 24.563 1.00 0.00 ATOM 1125 CZ ARG A 137 -0.017 53.660 24.771 1.00 0.00 ATOM 1126 NH1 ARG A 137 1.121 54.328 24.812 1.00 0.00 ATOM 1127 NH2 ARG A 137 -1.111 54.381 24.967 1.00 0.00 ATOM 1128 O ARG A 137 4.821 49.207 20.729 1.00 0.00 ATOM 1129 C ARG A 137 3.591 49.162 20.671 1.00 0.00 ATOM 1130 N SER A 138 2.931 48.055 20.286 1.00 0.00 ATOM 1131 CA SER A 138 3.638 46.839 19.907 1.00 0.00 ATOM 1132 CB SER A 138 2.662 45.690 19.675 1.00 0.00 ATOM 1133 OG SER A 138 1.982 45.365 20.888 1.00 0.00 ATOM 1134 O SER A 138 5.570 46.628 18.503 1.00 0.00 ATOM 1135 C SER A 138 4.448 47.113 18.649 1.00 0.00 ATOM 1136 N LEU A 139 3.906 47.954 17.733 1.00 0.00 ATOM 1137 CA LEU A 139 4.572 48.306 16.487 1.00 0.00 ATOM 1138 CB LEU A 139 3.707 49.168 15.573 1.00 0.00 ATOM 1139 CG LEU A 139 2.394 48.506 15.142 1.00 0.00 ATOM 1140 CD1 LEU A 139 1.642 49.419 14.175 1.00 0.00 ATOM 1141 CD2 LEU A 139 2.666 47.133 14.537 1.00 0.00 ATOM 1142 O LEU A 139 6.913 48.741 16.156 1.00 0.00 ATOM 1143 C LEU A 139 5.874 49.073 16.724 1.00 0.00 ATOM 1144 N ALA A 140 5.805 50.089 17.588 1.00 0.00 ATOM 1145 CA ALA A 140 6.977 50.893 17.912 1.00 0.00 ATOM 1146 CB ALA A 140 6.634 52.058 18.836 1.00 0.00 ATOM 1147 O ALA A 140 9.211 50.039 18.090 1.00 0.00 ATOM 1148 C ALA A 140 8.056 49.990 18.510 1.00 0.00 ATOM 1149 N GLY A 141 7.680 49.132 19.488 1.00 0.00 ATOM 1150 CA GLY A 141 8.625 48.223 20.113 1.00 0.00 ATOM 1151 O GLY A 141 10.358 46.851 19.186 1.00 0.00 ATOM 1152 C GLY A 141 9.183 47.211 19.117 1.00 0.00 ATOM 1153 N ALA A 142 8.340 46.733 18.170 1.00 0.00 ATOM 1154 CA ALA A 142 8.768 45.765 17.163 1.00 0.00 ATOM 1155 CB ALA A 142 7.532 45.316 16.385 1.00 0.00 ATOM 1156 O ALA A 142 10.817 45.750 15.923 1.00 0.00 ATOM 1157 C ALA A 142 9.816 46.389 16.249 1.00 0.00 ATOM 1158 N LEU A 143 9.607 47.638 15.848 1.00 0.00 ATOM 1159 CA LEU A 143 10.575 48.304 14.988 1.00 0.00 ATOM 1160 CB LEU A 143 10.043 49.630 14.524 1.00 0.00 ATOM 1161 CG LEU A 143 9.061 49.390 13.426 1.00 0.00 ATOM 1162 CD1 LEU A 143 8.392 50.714 13.362 1.00 0.00 ATOM 1163 CD2 LEU A 143 9.717 49.104 12.077 1.00 0.00 ATOM 1164 O LEU A 143 12.967 48.329 15.143 1.00 0.00 ATOM 1165 C LEU A 143 11.897 48.513 15.723 1.00 0.00 ATOM 1166 N ARG A 144 11.820 48.898 16.981 1.00 0.00 ATOM 1167 CA ARG A 144 13.042 49.104 17.757 1.00 0.00 ATOM 1168 CB ARG A 144 12.688 49.546 19.158 1.00 0.00 ATOM 1169 CG ARG A 144 12.144 50.963 19.124 1.00 0.00 ATOM 1170 CD ARG A 144 12.245 51.469 20.546 1.00 0.00 ATOM 1171 NE ARG A 144 11.266 50.931 21.474 1.00 0.00 ATOM 1172 CZ ARG A 144 10.025 51.382 21.516 1.00 0.00 ATOM 1173 NH1 ARG A 144 9.600 52.364 20.730 1.00 0.00 ATOM 1174 NH2 ARG A 144 9.196 50.838 22.368 1.00 0.00 ATOM 1175 O ARG A 144 15.006 47.716 17.686 1.00 0.00 ATOM 1176 C ARG A 144 13.787 47.776 17.861 1.00 0.00 ATOM 1177 N MET A 145 13.052 46.692 18.169 1.00 0.00 ATOM 1178 CA MET A 145 13.659 45.374 18.294 1.00 0.00 ATOM 1179 CB MET A 145 12.612 44.368 18.752 1.00 0.00 ATOM 1180 CG MET A 145 12.075 44.597 20.156 1.00 0.00 ATOM 1181 SD MET A 145 10.760 43.398 20.557 1.00 0.00 ATOM 1182 CE MET A 145 11.688 41.876 20.602 1.00 0.00 ATOM 1183 O MET A 145 15.063 43.990 16.979 1.00 0.00 ATOM 1184 C MET A 145 14.175 44.813 16.972 1.00 0.00 ATOM 1185 N ALA A 146 13.620 45.345 15.814 1.00 0.00 ATOM 1186 CA ALA A 146 14.088 44.938 14.471 1.00 0.00 ATOM 1187 CB ALA A 146 13.588 46.005 13.496 1.00 0.00 ATOM 1188 O ALA A 146 16.128 44.156 13.500 1.00 0.00 ATOM 1189 C ALA A 146 15.603 44.943 14.278 1.00 0.00 ATOM 1190 N GLY A 147 16.305 45.844 14.923 1.00 0.00 ATOM 1191 CA GLY A 147 17.745 45.828 15.011 1.00 0.00 ATOM 1192 O GLY A 147 17.819 47.873 13.709 1.00 0.00 ATOM 1193 C GLY A 147 18.431 46.994 14.301 1.00 0.00 ATOM 1194 N GLY A 148 19.822 46.970 14.412 1.00 0.00 ATOM 1195 CA GLY A 148 20.642 48.041 13.859 1.00 0.00 ATOM 1196 O GLY A 148 20.488 49.474 11.937 1.00 0.00 ATOM 1197 C GLY A 148 20.355 48.338 12.379 1.00 0.00 ATOM 1198 N TYR A 149 19.822 47.346 11.684 1.00 0.00 ATOM 1199 CA TYR A 149 19.449 47.491 10.271 1.00 0.00 ATOM 1200 CB TYR A 149 20.692 47.203 9.439 1.00 0.00 ATOM 1201 CG TYR A 149 21.056 45.732 9.349 1.00 0.00 ATOM 1202 CD1 TYR A 149 21.694 45.132 10.420 1.00 0.00 ATOM 1203 CD2 TYR A 149 20.693 44.989 8.240 1.00 0.00 ATOM 1204 CE1 TYR A 149 21.973 43.768 10.387 1.00 0.00 ATOM 1205 CE2 TYR A 149 20.963 43.642 8.210 1.00 0.00 ATOM 1206 CZ TYR A 149 21.599 43.018 9.276 1.00 0.00 ATOM 1207 OH TYR A 149 21.808 41.680 9.196 1.00 0.00 ATOM 1208 O TYR A 149 17.914 45.649 10.646 1.00 0.00 ATOM 1209 C TYR A 149 18.319 46.543 9.899 1.00 0.00 ATOM 1210 N ALA A 150 17.862 46.769 8.680 1.00 0.00 ATOM 1211 CA ALA A 150 16.740 46.026 8.127 1.00 0.00 ATOM 1212 CB ALA A 150 15.580 46.970 7.843 1.00 0.00 ATOM 1213 O ALA A 150 16.641 44.151 6.658 1.00 0.00 ATOM 1214 C ALA A 150 17.108 45.271 6.861 1.00 0.00 ATOM 1215 N LYS A 151 17.924 45.855 5.949 1.00 0.00 ATOM 1216 CA LYS A 151 18.245 45.212 4.683 1.00 0.00 ATOM 1217 CB LYS A 151 17.443 45.954 3.600 1.00 0.00 ATOM 1218 CG LYS A 151 17.683 45.420 2.191 1.00 0.00 ATOM 1219 CD LYS A 151 16.513 44.606 1.697 1.00 0.00 ATOM 1220 CE LYS A 151 16.660 44.475 0.188 1.00 0.00 ATOM 1221 NZ LYS A 151 15.364 44.734 -0.455 1.00 0.00 ATOM 1222 O LYS A 151 20.126 46.694 4.528 1.00 0.00 ATOM 1223 C LYS A 151 19.646 45.603 4.231 1.00 0.00 ATOM 1224 N VAL A 152 20.326 44.778 3.508 1.00 0.00 ATOM 1225 CA VAL A 152 21.668 45.059 3.021 1.00 0.00 ATOM 1226 CB VAL A 152 22.327 43.935 2.254 1.00 0.00 ATOM 1227 CG1 VAL A 152 23.691 44.385 1.732 1.00 0.00 ATOM 1228 CG2 VAL A 152 22.588 42.840 3.279 1.00 0.00 ATOM 1229 O VAL A 152 22.460 47.225 2.350 1.00 0.00 ATOM 1230 C VAL A 152 21.629 46.336 2.176 1.00 0.00 ATOM 1231 N ILE A 153 20.596 46.491 1.364 1.00 0.00 ATOM 1232 CA ILE A 153 20.469 47.674 0.513 1.00 0.00 ATOM 1233 CB ILE A 153 19.305 47.429 -0.497 1.00 0.00 ATOM 1234 CG1 ILE A 153 19.678 46.271 -1.432 1.00 0.00 ATOM 1235 CG2 ILE A 153 19.008 48.697 -1.287 1.00 0.00 ATOM 1236 CD1 ILE A 153 18.545 45.764 -2.293 1.00 0.00 ATOM 1237 O ILE A 153 20.913 49.946 1.149 1.00 0.00 ATOM 1238 C ILE A 153 20.198 48.960 1.309 1.00 0.00 ATOM 1239 N ILE A 154 19.044 48.890 2.206 1.00 0.00 ATOM 1240 CA ILE A 154 18.734 50.077 2.994 1.00 0.00 ATOM 1241 CB ILE A 154 17.430 49.896 3.811 1.00 0.00 ATOM 1242 CG1 ILE A 154 16.215 49.666 2.911 1.00 0.00 ATOM 1243 CG2 ILE A 154 17.205 51.090 4.753 1.00 0.00 ATOM 1244 CD1 ILE A 154 14.964 49.394 3.749 1.00 0.00 ATOM 1245 O ILE A 154 20.303 51.695 3.863 1.00 0.00 ATOM 1246 C ILE A 154 19.953 50.512 3.845 1.00 0.00 ATOM 1247 N PRO A 155 20.591 49.572 4.573 1.00 0.00 ATOM 1248 CA PRO A 155 21.755 49.969 5.375 1.00 0.00 ATOM 1249 CB PRO A 155 22.132 48.714 6.120 1.00 0.00 ATOM 1250 CG PRO A 155 20.864 47.968 6.253 1.00 0.00 ATOM 1251 CD PRO A 155 20.102 48.242 4.996 1.00 0.00 ATOM 1252 O PRO A 155 23.614 51.387 4.831 1.00 0.00 ATOM 1253 C PRO A 155 22.863 50.490 4.458 1.00 0.00 ATOM 1254 N PHE A 156 22.985 49.922 3.246 1.00 0.00 ATOM 1255 CA PHE A 156 23.985 50.384 2.292 1.00 0.00 ATOM 1256 CB PHE A 156 23.552 49.414 0.946 1.00 0.00 ATOM 1257 CG PHE A 156 24.555 49.136 -0.145 1.00 0.00 ATOM 1258 CD1 PHE A 156 25.263 47.941 -0.170 1.00 0.00 ATOM 1259 CD2 PHE A 156 24.787 50.071 -1.147 1.00 0.00 ATOM 1260 CE1 PHE A 156 26.187 47.684 -1.175 1.00 0.00 ATOM 1261 CE2 PHE A 156 25.709 49.822 -2.156 1.00 0.00 ATOM 1262 CZ PHE A 156 26.411 48.625 -2.169 1.00 0.00 ATOM 1263 O PHE A 156 24.542 52.478 1.253 1.00 0.00 ATOM 1264 C PHE A 156 23.700 51.831 1.878 1.00 0.00 ATOM 1265 N SER A 157 22.443 52.249 2.074 1.00 0.00 ATOM 1266 CA SER A 157 21.950 53.578 1.665 1.00 0.00 ATOM 1267 CB SER A 157 20.492 53.831 2.050 1.00 0.00 ATOM 1268 OG SER A 157 19.603 52.851 1.484 1.00 0.00 ATOM 1269 O SER A 157 23.286 54.594 3.401 1.00 0.00 ATOM 1270 C SER A 157 22.763 54.716 2.285 1.00 0.00 ATOM 1271 N GLU A 158 22.859 55.775 1.534 1.00 0.00 ATOM 1272 CA GLU A 158 23.628 56.931 1.982 1.00 0.00 ATOM 1273 CB GLU A 158 23.851 57.879 0.815 1.00 0.00 ATOM 1274 CG GLU A 158 25.302 57.906 0.335 1.00 0.00 ATOM 1275 CD GLU A 158 25.401 58.670 -0.979 1.00 0.00 ATOM 1276 OE1 GLU A 158 24.745 59.724 -1.050 1.00 0.00 ATOM 1277 OE2 GLU A 158 26.131 58.142 -1.848 1.00 0.00 ATOM 1278 O GLU A 158 23.682 58.586 3.575 1.00 0.00 ATOM 1279 C GLU A 158 22.974 57.702 3.115 1.00 0.00 ATOM 1280 N PHE A 159 21.565 57.688 3.500 1.00 0.00 ATOM 1281 CA PHE A 159 20.770 58.545 4.418 1.00 0.00 ATOM 1282 CB PHE A 159 21.654 59.437 5.307 1.00 0.00 ATOM 1283 CG PHE A 159 20.988 60.510 6.116 1.00 0.00 ATOM 1284 CD1 PHE A 159 20.236 60.068 7.162 1.00 0.00 ATOM 1285 CD2 PHE A 159 21.187 61.861 5.857 1.00 0.00 ATOM 1286 CE1 PHE A 159 19.632 60.989 7.994 1.00 0.00 ATOM 1287 CE2 PHE A 159 20.595 62.789 6.705 1.00 0.00 ATOM 1288 CZ PHE A 159 19.814 62.351 7.757 1.00 0.00 ATOM 1289 O PHE A 159 18.625 59.607 4.076 1.00 0.00 ATOM 1290 C PHE A 159 19.754 59.397 3.633 1.00 0.00 ATOM 1291 N GLY A 160 20.137 59.751 2.414 1.00 0.00 ATOM 1292 CA GLY A 160 19.267 60.524 1.499 1.00 0.00 ATOM 1293 O GLY A 160 16.892 60.299 1.214 1.00 0.00 ATOM 1294 C GLY A 160 17.991 59.750 1.154 1.00 0.00 ATOM 1295 N TRP A 161 18.157 58.462 0.908 1.00 0.00 ATOM 1296 CA TRP A 161 17.054 57.539 0.603 1.00 0.00 ATOM 1297 CB TRP A 161 17.561 56.215 0.047 1.00 0.00 ATOM 1298 CG TRP A 161 18.300 56.347 -1.291 1.00 0.00 ATOM 1299 CD1 TRP A 161 18.130 57.277 -2.215 1.00 0.00 ATOM 1300 CD2 TRP A 161 19.281 55.508 -1.758 1.00 0.00 ATOM 1301 CE2 TRP A 161 19.685 55.992 -2.988 1.00 0.00 ATOM 1302 CE3 TRP A 161 19.816 54.344 -1.284 1.00 0.00 ATOM 1303 NE1 TRP A 161 18.970 57.081 -3.232 1.00 0.00 ATOM 1304 CZ2 TRP A 161 20.631 55.318 -3.762 1.00 0.00 ATOM 1305 CZ3 TRP A 161 20.752 53.685 -2.042 1.00 0.00 ATOM 1306 CH2 TRP A 161 21.175 54.145 -3.266 1.00 0.00 ATOM 1307 O TRP A 161 14.953 57.285 1.779 1.00 0.00 ATOM 1308 C TRP A 161 16.189 57.283 1.841 1.00 0.00 ATOM 1309 N ALA A 162 16.844 57.078 2.982 1.00 0.00 ATOM 1310 CA ALA A 162 16.070 56.862 4.247 1.00 0.00 ATOM 1311 CB ALA A 162 17.032 56.637 5.414 1.00 0.00 ATOM 1312 O ALA A 162 14.005 57.963 4.829 1.00 0.00 ATOM 1313 C ALA A 162 15.198 58.085 4.558 1.00 0.00 ATOM 1314 N ASP A 163 15.763 59.260 4.259 1.00 0.00 ATOM 1315 CA ASP A 163 15.053 60.551 4.380 1.00 0.00 ATOM 1316 CB ASP A 163 15.975 61.724 4.168 1.00 0.00 ATOM 1317 CG ASP A 163 17.006 61.863 5.284 1.00 0.00 ATOM 1318 OD1 ASP A 163 16.969 61.077 6.261 1.00 0.00 ATOM 1319 OD2 ASP A 163 17.860 62.767 5.184 1.00 0.00 ATOM 1320 O ASP A 163 12.801 61.003 3.683 1.00 0.00 ATOM 1321 C ASP A 163 13.936 60.670 3.343 1.00 0.00 ATOM 1322 N PHE A 164 14.252 60.360 2.092 1.00 0.00 ATOM 1323 CA PHE A 164 13.244 60.427 1.042 1.00 0.00 ATOM 1324 CB PHE A 164 13.938 60.185 -0.301 1.00 0.00 ATOM 1325 CG PHE A 164 14.822 61.352 -0.754 1.00 0.00 ATOM 1326 CD1 PHE A 164 14.987 62.504 0.010 1.00 0.00 ATOM 1327 CD2 PHE A 164 15.459 61.252 -1.983 1.00 0.00 ATOM 1328 CE1 PHE A 164 15.798 63.520 -0.438 1.00 0.00 ATOM 1329 CE2 PHE A 164 16.276 62.274 -2.451 1.00 0.00 ATOM 1330 CZ PHE A 164 16.443 63.388 -1.651 1.00 0.00 ATOM 1331 O PHE A 164 10.942 59.792 1.055 1.00 0.00 ATOM 1332 C PHE A 164 12.107 59.426 1.235 1.00 0.00 ATOM 1333 N LEU A 165 12.453 58.267 1.775 1.00 0.00 ATOM 1334 CA LEU A 165 11.475 57.199 2.069 1.00 0.00 ATOM 1335 CB LEU A 165 12.153 55.905 2.451 1.00 0.00 ATOM 1336 CG LEU A 165 12.880 55.221 1.289 1.00 0.00 ATOM 1337 CD1 LEU A 165 13.655 54.000 1.778 1.00 0.00 ATOM 1338 CD2 LEU A 165 11.898 54.834 0.172 1.00 0.00 ATOM 1339 O LEU A 165 9.326 57.651 3.006 1.00 0.00 ATOM 1340 C LEU A 165 10.547 57.710 3.174 1.00 0.00 ATOM 1341 N ARG A 166 11.090 58.187 4.260 1.00 0.00 ATOM 1342 CA ARG A 166 10.239 58.658 5.363 1.00 0.00 ATOM 1343 CB ARG A 166 11.160 59.061 6.511 1.00 0.00 ATOM 1344 CG ARG A 166 10.363 59.560 7.714 1.00 0.00 ATOM 1345 CD ARG A 166 11.302 59.872 8.862 1.00 0.00 ATOM 1346 NE ARG A 166 10.522 60.326 10.031 1.00 0.00 ATOM 1347 CZ ARG A 166 9.975 61.522 10.201 1.00 0.00 ATOM 1348 NH1 ARG A 166 9.368 61.826 11.329 1.00 0.00 ATOM 1349 NH2 ARG A 166 10.088 62.483 9.301 1.00 0.00 ATOM 1350 O ARG A 166 8.251 59.967 5.276 1.00 0.00 ATOM 1351 C ARG A 166 9.424 59.853 4.920 1.00 0.00 ATOM 1352 N ARG A 167 10.017 60.790 4.141 1.00 0.00 ATOM 1353 CA ARG A 167 9.227 61.948 3.724 1.00 0.00 ATOM 1354 CB ARG A 167 10.155 62.720 2.788 1.00 0.00 ATOM 1355 CG ARG A 167 11.226 63.542 3.496 1.00 0.00 ATOM 1356 CD ARG A 167 11.975 64.299 2.415 1.00 0.00 ATOM 1357 NE ARG A 167 13.115 65.026 2.975 1.00 0.00 ATOM 1358 CZ ARG A 167 13.115 66.298 3.385 1.00 0.00 ATOM 1359 NH1 ARG A 167 12.009 67.047 3.366 1.00 0.00 ATOM 1360 NH2 ARG A 167 14.233 66.854 3.833 1.00 0.00 ATOM 1361 O ARG A 167 6.898 61.979 3.147 1.00 0.00 ATOM 1362 C ARG A 167 8.031 61.505 2.883 1.00 0.00 ATOM 1363 N ARG A 168 8.214 60.614 1.917 1.00 0.00 ATOM 1364 CA ARG A 168 7.117 60.230 1.055 1.00 0.00 ATOM 1365 CB ARG A 168 7.679 59.391 -0.081 1.00 0.00 ATOM 1366 CG ARG A 168 8.368 60.303 -1.090 1.00 0.00 ATOM 1367 CD ARG A 168 8.915 59.429 -2.207 1.00 0.00 ATOM 1368 NE ARG A 168 9.580 60.258 -3.226 1.00 0.00 ATOM 1369 CZ ARG A 168 9.952 59.814 -4.426 1.00 0.00 ATOM 1370 NH1 ARG A 168 9.724 58.587 -4.842 1.00 0.00 ATOM 1371 NH2 ARG A 168 10.495 60.616 -5.317 1.00 0.00 ATOM 1372 O ARG A 168 4.860 59.618 1.549 1.00 0.00 ATOM 1373 C ARG A 168 6.047 59.462 1.825 1.00 0.00 ATOM 1374 N ILE A 169 6.462 58.664 2.809 1.00 0.00 ATOM 1375 CA ILE A 169 5.501 57.901 3.602 1.00 0.00 ATOM 1376 CB ILE A 169 6.227 56.884 4.486 1.00 0.00 ATOM 1377 CG1 ILE A 169 6.947 55.806 3.660 1.00 0.00 ATOM 1378 CG2 ILE A 169 5.300 56.219 5.508 1.00 0.00 ATOM 1379 CD1 ILE A 169 6.057 54.995 2.713 1.00 0.00 ATOM 1380 O ILE A 169 3.409 58.660 4.528 1.00 0.00 ATOM 1381 C ILE A 169 4.628 58.838 4.447 1.00 0.00 ATOM 1382 N ASP A 170 5.260 59.870 4.991 1.00 0.00 ATOM 1383 CA ASP A 170 4.532 60.865 5.805 1.00 0.00 ATOM 1384 CB ASP A 170 5.567 61.683 6.637 1.00 0.00 ATOM 1385 CG ASP A 170 4.893 62.602 7.636 1.00 0.00 ATOM 1386 OD1 ASP A 170 4.146 62.090 8.501 1.00 0.00 ATOM 1387 OD2 ASP A 170 5.098 63.830 7.561 1.00 0.00 ATOM 1388 O ASP A 170 2.540 62.164 5.527 1.00 0.00 ATOM 1389 C ASP A 170 3.512 61.659 4.980 1.00 0.00 ATOM 1390 N ARG A 171 3.775 61.788 3.620 1.00 0.00 ATOM 1391 CA ARG A 171 2.913 62.603 2.736 1.00 0.00 ATOM 1392 CB ARG A 171 3.538 62.643 1.336 1.00 0.00 ATOM 1393 CG ARG A 171 3.967 64.030 0.854 1.00 0.00 ATOM 1394 CD ARG A 171 5.093 64.655 1.661 1.00 0.00 ATOM 1395 NE ARG A 171 4.697 65.037 3.017 1.00 0.00 ATOM 1396 CZ ARG A 171 5.563 65.173 4.014 1.00 0.00 ATOM 1397 NH1 ARG A 171 6.852 64.959 3.785 1.00 0.00 ATOM 1398 NH2 ARG A 171 5.142 65.495 5.231 1.00 0.00 ATOM 1399 O ARG A 171 0.531 62.845 2.595 1.00 0.00 ATOM 1400 C ARG A 171 1.486 62.055 2.609 1.00 0.00 ATOM 1401 N ASP A 172 1.368 60.741 2.607 1.00 0.00 ATOM 1402 CA ASP A 172 0.052 60.117 2.468 1.00 0.00 ATOM 1403 CB ASP A 172 0.031 59.595 0.939 1.00 0.00 ATOM 1404 CG ASP A 172 -1.296 58.990 0.560 1.00 0.00 ATOM 1405 OD1 ASP A 172 -2.338 59.662 0.728 1.00 0.00 ATOM 1406 OD2 ASP A 172 -1.308 57.843 0.084 1.00 0.00 ATOM 1407 O ASP A 172 -1.475 58.968 3.854 1.00 0.00 ATOM 1408 C ASP A 172 -0.529 59.776 3.839 1.00 0.00 ATOM 1409 N LEU A 173 0.040 60.430 4.939 1.00 0.00 ATOM 1410 CA LEU A 173 -0.484 60.166 6.265 1.00 0.00 ATOM 1411 CB LEU A 173 0.708 59.944 7.188 1.00 0.00 ATOM 1412 CG LEU A 173 1.477 58.677 6.830 1.00 0.00 ATOM 1413 CD1 LEU A 173 2.711 58.554 7.730 1.00 0.00 ATOM 1414 CD2 LEU A 173 0.504 57.510 6.970 1.00 0.00 ATOM 1415 O LEU A 173 -0.736 62.508 6.621 1.00 0.00 ATOM 1416 C LEU A 173 -1.242 61.398 6.725 1.00 0.00 ATOM 1417 N LEU A 174 -2.525 61.198 6.985 1.00 0.00 ATOM 1418 CA LEU A 174 -3.379 62.251 7.549 1.00 0.00 ATOM 1419 CB LEU A 174 -4.834 61.773 7.513 1.00 0.00 ATOM 1420 CG LEU A 174 -5.368 61.455 6.131 1.00 0.00 ATOM 1421 CD1 LEU A 174 -6.763 60.888 6.380 1.00 0.00 ATOM 1422 CD2 LEU A 174 -5.412 62.702 5.248 1.00 0.00 ATOM 1423 O LEU A 174 -1.782 62.919 9.219 1.00 0.00 ATOM 1424 C LEU A 174 -2.949 62.625 8.977 1.00 0.00 ATOM 1425 N SER A 175 -3.890 62.684 9.925 1.00 0.00 ATOM 1426 CA SER A 175 -3.559 62.995 11.334 1.00 0.00 ATOM 1427 CB SER A 175 -4.041 64.403 11.718 1.00 0.00 ATOM 1428 OG SER A 175 -5.409 64.501 11.361 1.00 0.00 ATOM 1429 O SER A 175 -4.341 62.189 13.456 1.00 0.00 ATOM 1430 C SER A 175 -4.145 61.938 12.266 1.00 0.00 ATOM 1431 N ASP A 176 -4.426 60.766 11.768 1.00 0.00 ATOM 1432 CA ASP A 176 -4.970 59.690 12.584 1.00 0.00 ATOM 1433 CB ASP A 176 -5.721 58.625 11.777 1.00 0.00 ATOM 1434 CG ASP A 176 -6.945 59.245 11.136 1.00 0.00 ATOM 1435 OD1 ASP A 176 -7.628 60.034 11.826 1.00 0.00 ATOM 1436 OD2 ASP A 176 -7.124 58.849 9.973 1.00 0.00 ATOM 1437 O ASP A 176 -2.733 58.965 12.920 1.00 0.00 ATOM 1438 C ASP A 176 -3.859 59.024 13.373 1.00 0.00 ATOM 1439 N SER A 177 -4.287 58.276 14.378 1.00 0.00 ATOM 1440 CA SER A 177 -3.358 57.535 15.242 1.00 0.00 ATOM 1441 CB SER A 177 -4.062 56.833 16.379 1.00 0.00 ATOM 1442 OG SER A 177 -4.588 57.811 17.249 1.00 0.00 ATOM 1443 O SER A 177 -1.379 56.315 14.621 1.00 0.00 ATOM 1444 C SER A 177 -2.572 56.474 14.463 1.00 0.00 ATOM 1445 N PHE A 178 -3.249 55.741 13.582 1.00 0.00 ATOM 1446 CA PHE A 178 -2.553 54.771 12.722 1.00 0.00 ATOM 1447 CB PHE A 178 -3.556 53.908 11.930 1.00 0.00 ATOM 1448 CG PHE A 178 -4.665 53.261 12.774 1.00 0.00 ATOM 1449 CD1 PHE A 178 -4.448 52.835 14.065 1.00 0.00 ATOM 1450 CD2 PHE A 178 -5.948 53.131 12.260 1.00 0.00 ATOM 1451 CE1 PHE A 178 -5.464 52.331 14.876 1.00 0.00 ATOM 1452 CE2 PHE A 178 -6.971 52.604 13.044 1.00 0.00 ATOM 1453 CZ PHE A 178 -6.733 52.212 14.355 1.00 0.00 ATOM 1454 O PHE A 178 -0.408 55.070 11.713 1.00 0.00 ATOM 1455 C PHE A 178 -1.564 55.500 11.840 1.00 0.00 ATOM 1456 N ASP A 179 -1.951 56.700 11.285 1.00 0.00 ATOM 1457 CA ASP A 179 -1.024 57.529 10.502 1.00 0.00 ATOM 1458 CB ASP A 179 -1.786 58.656 9.790 1.00 0.00 ATOM 1459 CG ASP A 179 -2.689 58.160 8.652 1.00 0.00 ATOM 1460 OD1 ASP A 179 -2.486 57.018 8.168 1.00 0.00 ATOM 1461 OD2 ASP A 179 -3.665 58.858 8.316 1.00 0.00 ATOM 1462 O ASP A 179 1.278 58.031 10.977 1.00 0.00 ATOM 1463 C ASP A 179 0.121 58.040 11.386 1.00 0.00 ATOM 1464 N ASP A 180 -0.181 58.450 12.628 1.00 0.00 ATOM 1465 CA ASP A 180 0.857 58.831 13.577 1.00 0.00 ATOM 1466 CB ASP A 180 0.202 59.254 14.883 1.00 0.00 ATOM 1467 CG ASP A 180 -0.557 60.576 14.848 1.00 0.00 ATOM 1468 OD1 ASP A 180 -0.244 61.461 14.022 1.00 0.00 ATOM 1469 OD2 ASP A 180 -1.411 60.725 15.734 1.00 0.00 ATOM 1470 O ASP A 180 3.022 57.835 13.908 1.00 0.00 ATOM 1471 C ASP A 180 1.806 57.659 13.790 1.00 0.00 ATOM 1472 N ALA A 181 1.236 56.464 13.853 1.00 0.00 ATOM 1473 CA ALA A 181 2.064 55.279 14.084 1.00 0.00 ATOM 1474 CB ALA A 181 1.215 54.028 14.195 1.00 0.00 ATOM 1475 O ALA A 181 4.241 54.860 13.116 1.00 0.00 ATOM 1476 C ALA A 181 3.039 55.104 12.914 1.00 0.00 ATOM 1477 N LEU A 182 2.524 55.228 11.696 1.00 0.00 ATOM 1478 CA LEU A 182 3.380 55.061 10.510 1.00 0.00 ATOM 1479 CB LEU A 182 2.543 55.155 9.242 1.00 0.00 ATOM 1480 CG LEU A 182 3.363 54.941 7.954 1.00 0.00 ATOM 1481 CD1 LEU A 182 4.044 53.582 7.890 1.00 0.00 ATOM 1482 CD2 LEU A 182 2.484 54.946 6.719 1.00 0.00 ATOM 1483 O LEU A 182 5.665 55.723 10.191 1.00 0.00 ATOM 1484 C LEU A 182 4.518 56.077 10.468 1.00 0.00 ATOM 1485 N ALA A 183 4.222 57.274 10.956 1.00 0.00 ATOM 1486 CA ALA A 183 5.209 58.364 10.981 1.00 0.00 ATOM 1487 CB ALA A 183 4.490 59.685 11.200 1.00 0.00 ATOM 1488 O ALA A 183 7.496 58.163 11.714 1.00 0.00 ATOM 1489 C ALA A 183 6.287 58.056 12.005 1.00 0.00 ATOM 1490 N GLU A 184 5.902 57.739 13.251 1.00 0.00 ATOM 1491 CA GLU A 184 6.890 57.417 14.303 1.00 0.00 ATOM 1492 CB GLU A 184 6.203 57.163 15.627 1.00 0.00 ATOM 1493 CG GLU A 184 5.604 58.441 16.226 1.00 0.00 ATOM 1494 CD GLU A 184 4.811 58.147 17.496 1.00 0.00 ATOM 1495 OE1 GLU A 184 4.773 56.966 17.907 1.00 0.00 ATOM 1496 OE2 GLU A 184 4.287 59.097 18.091 1.00 0.00 ATOM 1497 O GLU A 184 8.877 56.037 14.154 1.00 0.00 ATOM 1498 C GLU A 184 7.673 56.153 13.920 1.00 0.00 ATOM 1499 N ALA A 185 6.976 55.228 13.276 1.00 0.00 ATOM 1500 CA ALA A 185 7.643 54.013 12.826 1.00 0.00 ATOM 1501 CB ALA A 185 6.508 53.258 12.143 1.00 0.00 ATOM 1502 O ALA A 185 9.815 53.777 11.819 1.00 0.00 ATOM 1503 C ALA A 185 8.717 54.348 11.805 1.00 0.00 ATOM 1504 N MET A 186 8.390 55.279 10.877 1.00 0.00 ATOM 1505 CA MET A 186 9.325 55.700 9.869 1.00 0.00 ATOM 1506 CB MET A 186 8.634 56.562 8.827 1.00 0.00 ATOM 1507 CG MET A 186 7.732 55.768 7.888 1.00 0.00 ATOM 1508 SD MET A 186 8.563 54.391 6.999 1.00 0.00 ATOM 1509 CE MET A 186 7.970 53.016 7.951 1.00 0.00 ATOM 1510 O MET A 186 11.642 56.250 10.094 1.00 0.00 ATOM 1511 C MET A 186 10.496 56.465 10.482 1.00 0.00 ATOM 1512 N LYS A 187 10.203 57.237 11.561 1.00 0.00 ATOM 1513 CA LYS A 187 11.263 57.891 12.351 1.00 0.00 ATOM 1514 CB LYS A 187 10.627 58.700 13.477 1.00 0.00 ATOM 1515 CG LYS A 187 11.683 59.449 14.270 1.00 0.00 ATOM 1516 CD LYS A 187 10.998 60.262 15.354 1.00 0.00 ATOM 1517 CE LYS A 187 12.073 61.066 16.041 1.00 0.00 ATOM 1518 NZ LYS A 187 11.474 61.696 17.177 1.00 0.00 ATOM 1519 O LYS A 187 13.413 56.990 12.953 1.00 0.00 ATOM 1520 C LYS A 187 12.187 56.830 12.952 1.00 0.00 ATOM 1521 N LEU A 188 11.600 55.765 13.440 1.00 0.00 ATOM 1522 CA LEU A 188 12.393 54.701 14.051 1.00 0.00 ATOM 1523 CB LEU A 188 11.471 53.650 14.667 1.00 0.00 ATOM 1524 CG LEU A 188 10.736 54.131 15.910 1.00 0.00 ATOM 1525 CD1 LEU A 188 9.726 53.074 16.329 1.00 0.00 ATOM 1526 CD2 LEU A 188 11.704 54.366 17.067 1.00 0.00 ATOM 1527 O LEU A 188 14.474 53.818 13.215 1.00 0.00 ATOM 1528 C LEU A 188 13.277 54.034 12.995 1.00 0.00 ATOM 1529 N ALA A 189 12.687 53.715 11.835 1.00 0.00 ATOM 1530 CA ALA A 189 13.421 53.078 10.748 1.00 0.00 ATOM 1531 CB ALA A 189 12.494 52.848 9.571 1.00 0.00 ATOM 1532 O ALA A 189 15.732 53.466 9.983 1.00 0.00 ATOM 1533 C ALA A 189 14.618 53.959 10.242 1.00 0.00 ATOM 1534 N LYS A 190 14.329 55.232 10.073 1.00 0.00 ATOM 1535 CA LYS A 190 15.344 56.202 9.649 1.00 0.00 ATOM 1536 CB LYS A 190 14.739 57.607 9.613 1.00 0.00 ATOM 1537 CG LYS A 190 15.752 58.653 9.133 1.00 0.00 ATOM 1538 CD LYS A 190 15.086 60.023 9.096 1.00 0.00 ATOM 1539 CE LYS A 190 16.145 61.110 8.956 1.00 0.00 ATOM 1540 NZ LYS A 190 15.544 62.427 8.690 1.00 0.00 ATOM 1541 O LYS A 190 17.676 56.062 10.230 1.00 0.00 ATOM 1542 C LYS A 190 16.512 56.124 10.641 1.00 0.00 ATOM 1543 N SER A 191 16.267 56.091 11.882 1.00 0.00 ATOM 1544 CA SER A 191 17.298 56.032 12.906 1.00 0.00 ATOM 1545 CB SER A 191 16.644 56.091 14.279 1.00 0.00 ATOM 1546 OG SER A 191 16.008 57.363 14.357 1.00 0.00 ATOM 1547 O SER A 191 19.294 54.754 13.006 1.00 0.00 ATOM 1548 C SER A 191 18.083 54.763 12.848 1.00 0.00 ATOM 1549 N ARG A 192 17.390 53.600 12.729 1.00 0.00 ATOM 1550 CA ARG A 192 18.066 52.340 12.619 1.00 0.00 ATOM 1551 CB ARG A 192 17.084 51.190 12.465 1.00 0.00 ATOM 1552 CG ARG A 192 16.211 50.951 13.687 1.00 0.00 ATOM 1553 CD ARG A 192 15.488 49.602 13.572 1.00 0.00 ATOM 1554 NE ARG A 192 14.824 49.427 12.278 1.00 0.00 ATOM 1555 CZ ARG A 192 13.552 49.737 12.081 1.00 0.00 ATOM 1556 NH1 ARG A 192 12.793 50.228 13.056 1.00 0.00 ATOM 1557 NH2 ARG A 192 13.021 49.619 10.902 1.00 0.00 ATOM 1558 O ARG A 192 20.123 51.958 11.456 1.00 0.00 ATOM 1559 C ARG A 192 18.974 52.325 11.377 1.00 0.00 ATOM 1560 N GLU A 193 18.454 52.755 10.241 1.00 0.00 ATOM 1561 CA GLU A 193 19.271 52.816 9.012 1.00 0.00 ATOM 1562 CB GLU A 193 18.380 53.364 7.903 1.00 0.00 ATOM 1563 CG GLU A 193 18.932 52.908 6.555 1.00 0.00 ATOM 1564 CD GLU A 193 19.506 54.034 5.686 1.00 0.00 ATOM 1565 OE1 GLU A 193 20.369 54.774 6.206 1.00 0.00 ATOM 1566 OE2 GLU A 193 19.043 54.147 4.534 1.00 0.00 ATOM 1567 O GLU A 193 21.574 53.429 8.714 1.00 0.00 ATOM 1568 C GLU A 193 20.484 53.717 9.201 1.00 0.00 ATOM 1569 N ALA A 194 20.265 54.804 9.903 1.00 0.00 ATOM 1570 CA ALA A 194 21.342 55.749 10.154 1.00 0.00 ATOM 1571 CB ALA A 194 20.795 56.927 10.960 1.00 0.00 ATOM 1572 O ALA A 194 23.682 55.270 10.508 1.00 0.00 ATOM 1573 C ALA A 194 22.520 55.094 10.889 1.00 0.00 ATOM 1574 N ARG A 195 22.212 54.332 11.941 1.00 0.00 ATOM 1575 CA ARG A 195 23.239 53.665 12.731 1.00 0.00 ATOM 1576 CB ARG A 195 22.712 52.988 13.977 1.00 0.00 ATOM 1577 CG ARG A 195 22.405 54.005 15.065 1.00 0.00 ATOM 1578 CD ARG A 195 21.803 53.211 16.192 1.00 0.00 ATOM 1579 NE ARG A 195 20.393 52.904 15.947 1.00 0.00 ATOM 1580 CZ ARG A 195 19.577 52.313 16.829 1.00 0.00 ATOM 1581 NH1 ARG A 195 19.977 51.984 18.060 1.00 0.00 ATOM 1582 NH2 ARG A 195 18.346 51.986 16.480 1.00 0.00 ATOM 1583 O ARG A 195 25.220 52.439 12.073 1.00 0.00 ATOM 1584 C ARG A 195 23.996 52.589 11.956 1.00 0.00 ATOM 1585 N HIS A 196 23.239 51.843 11.167 1.00 0.00 ATOM 1586 CA HIS A 196 23.819 50.764 10.354 1.00 0.00 ATOM 1587 CB HIS A 196 22.720 49.903 9.748 1.00 0.00 ATOM 1588 CG HIS A 196 23.371 48.618 9.255 1.00 0.00 ATOM 1589 CD2 HIS A 196 23.647 48.338 8.005 1.00 0.00 ATOM 1590 ND1 HIS A 196 23.742 47.560 9.963 1.00 0.00 ATOM 1591 CE1 HIS A 196 24.225 46.640 9.117 1.00 0.00 ATOM 1592 NE2 HIS A 196 24.115 47.112 7.891 1.00 0.00 ATOM 1593 O HIS A 196 25.800 50.711 9.030 1.00 0.00 ATOM 1594 C HIS A 196 24.749 51.291 9.270 1.00 0.00 ATOM 1595 N LEU A 197 24.387 52.393 8.584 1.00 0.00 ATOM 1596 CA LEU A 197 25.240 52.944 7.539 1.00 0.00 ATOM 1597 CB LEU A 197 24.531 54.145 6.903 1.00 0.00 ATOM 1598 CG LEU A 197 25.347 54.777 5.782 1.00 0.00 ATOM 1599 CD1 LEU A 197 25.591 53.731 4.703 1.00 0.00 ATOM 1600 CD2 LEU A 197 24.652 56.025 5.241 1.00 0.00 ATOM 1601 O LEU A 197 27.602 52.955 7.585 1.00 0.00 ATOM 1602 C LEU A 197 26.593 53.320 8.130 1.00 0.00 ATOM 1603 N PRO A 198 26.651 53.975 9.282 1.00 0.00 ATOM 1604 CA PRO A 198 27.936 54.325 9.894 1.00 0.00 ATOM 1605 CB PRO A 198 27.589 55.108 11.173 1.00 0.00 ATOM 1606 CG PRO A 198 26.183 55.578 10.905 1.00 0.00 ATOM 1607 CD PRO A 198 25.521 54.512 10.049 1.00 0.00 ATOM 1608 O PRO A 198 29.951 53.102 9.688 1.00 0.00 ATOM 1609 C PRO A 198 28.805 53.077 10.105 1.00 0.00 ATOM 1610 N GLY A 199 28.261 51.941 10.738 1.00 0.00 ATOM 1611 CA GLY A 199 29.012 50.716 10.921 1.00 0.00 ATOM 1612 O GLY A 199 30.492 49.696 9.349 1.00 0.00 ATOM 1613 C GLY A 199 29.385 50.146 9.570 1.00 0.00 ATOM 1614 N TRP A 200 28.513 50.219 8.577 1.00 0.00 ATOM 1615 CA TRP A 200 28.745 49.704 7.242 1.00 0.00 ATOM 1616 CB TRP A 200 27.442 49.783 6.447 1.00 0.00 ATOM 1617 CG TRP A 200 27.632 49.274 5.014 1.00 0.00 ATOM 1618 CD1 TRP A 200 27.592 48.004 4.638 1.00 0.00 ATOM 1619 CD2 TRP A 200 27.895 50.030 3.877 1.00 0.00 ATOM 1620 CE2 TRP A 200 27.965 49.137 2.821 1.00 0.00 ATOM 1621 CE3 TRP A 200 28.064 51.375 3.641 1.00 0.00 ATOM 1622 NE1 TRP A 200 27.803 47.936 3.327 1.00 0.00 ATOM 1623 CZ2 TRP A 200 28.141 49.577 1.517 1.00 0.00 ATOM 1624 CZ3 TRP A 200 28.287 51.829 2.346 1.00 0.00 ATOM 1625 CH2 TRP A 200 28.313 50.934 1.274 1.00 0.00 ATOM 1626 O TRP A 200 30.516 49.965 5.619 1.00 0.00 ATOM 1627 C TRP A 200 29.816 50.487 6.476 1.00 0.00 ATOM 1628 N CYS A 201 29.984 51.772 6.746 1.00 0.00 ATOM 1629 CA CYS A 201 30.989 52.562 6.025 1.00 0.00 ATOM 1630 CB CYS A 201 30.868 54.042 6.350 1.00 0.00 ATOM 1631 SG CYS A 201 29.288 54.684 5.689 1.00 0.00 ATOM 1632 O CYS A 201 33.176 51.797 5.388 1.00 0.00 ATOM 1633 C CYS A 201 32.359 51.958 6.300 1.00 0.00 ATOM 1634 N GLY A 202 32.625 51.590 7.616 1.00 0.00 ATOM 1635 CA GLY A 202 33.898 51.024 8.012 1.00 0.00 ATOM 1636 O GLY A 202 35.331 49.479 6.829 1.00 0.00 ATOM 1637 C GLY A 202 34.200 49.714 7.266 1.00 0.00 ATOM 1638 N VAL A 203 33.255 48.886 7.162 1.00 0.00 ATOM 1639 CA VAL A 203 33.334 47.549 6.530 1.00 0.00 ATOM 1640 CB VAL A 203 33.262 46.426 7.577 1.00 0.00 ATOM 1641 CG1 VAL A 203 34.414 46.509 8.587 1.00 0.00 ATOM 1642 CG2 VAL A 203 31.926 46.374 8.330 1.00 0.00 ATOM 1643 O VAL A 203 31.096 47.661 5.691 1.00 0.00 ATOM 1644 C VAL A 203 32.250 47.347 5.462 1.00 0.00 ATOM 1645 N GLU A 204 32.575 46.553 4.456 1.00 0.00 ATOM 1646 CA GLU A 204 31.560 46.190 3.437 1.00 0.00 ATOM 1647 CB GLU A 204 32.194 45.414 2.300 1.00 0.00 ATOM 1648 CG GLU A 204 33.167 46.241 1.457 1.00 0.00 ATOM 1649 CD GLU A 204 33.852 45.402 0.373 1.00 0.00 ATOM 1650 OE1 GLU A 204 33.569 44.178 0.305 1.00 0.00 ATOM 1651 OE2 GLU A 204 34.603 46.010 -0.409 1.00 0.00 ATOM 1652 O GLU A 204 29.285 45.451 3.563 1.00 0.00 ATOM 1653 C GLU A 204 30.417 45.333 4.009 1.00 0.00 ATOM 1654 N GLU A 205 30.775 44.412 4.898 1.00 0.00 ATOM 1655 CA GLU A 205 29.789 43.488 5.499 1.00 0.00 ATOM 1656 CB GLU A 205 30.526 42.466 6.390 1.00 0.00 ATOM 1657 CG GLU A 205 31.416 41.497 5.603 1.00 0.00 ATOM 1658 CD GLU A 205 30.792 40.134 5.256 1.00 0.00 ATOM 1659 OE1 GLU A 205 31.565 39.149 5.318 1.00 0.00 ATOM 1660 OE2 GLU A 205 29.562 40.032 5.014 1.00 0.00 ATOM 1661 O GLU A 205 28.754 45.470 6.448 1.00 0.00 ATOM 1662 C GLU A 205 28.691 44.227 6.312 1.00 0.00 ENDMDL EXPDTA 2hwjA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hwjA ATOM 1 N ILE 4 15.314 13.887 -4.819 1.00 0.00 ATOM 2 CA ILE 4 14.948 14.944 -5.837 1.00 0.00 ATOM 3 CB ILE 4 13.474 14.762 -6.339 1.00 0.00 ATOM 4 O ILE 4 14.528 17.353 -5.771 1.00 0.00 ATOM 5 C ILE 4 15.243 16.420 -5.391 1.00 0.00 ATOM 6 N TYR 5 16.234 16.548 -4.493 1.00 0.00 ATOM 7 CA TYR 5 17.244 17.652 -4.280 1.00 0.00 ATOM 8 CB TYR 5 18.598 17.230 -4.795 1.00 0.00 ATOM 9 O TYR 5 18.207 19.753 -4.526 1.00 0.00 ATOM 10 C TYR 5 17.133 19.122 -4.557 1.00 0.00 ATOM 11 N GLU 6 15.942 19.634 -4.930 1.00 0.00 ATOM 12 CA GLU 6 15.460 21.031 -4.705 1.00 0.00 ATOM 13 CB GLU 6 16.100 21.744 -3.491 1.00 0.00 ATOM 14 CG GLU 6 15.426 21.303 -2.156 1.00 0.00 ATOM 15 CD GLU 6 14.876 19.836 -2.221 1.00 0.00 ATOM 16 OE1 GLU 6 15.544 18.860 -1.722 1.00 0.00 ATOM 17 OE2 GLU 6 13.774 19.673 -2.811 1.00 0.00 ATOM 18 O GLU 6 14.120 21.445 -6.627 1.00 0.00 ATOM 19 C GLU 6 14.873 21.945 -5.798 1.00 0.00 ATOM 20 N PRO 7 15.136 23.279 -5.768 1.00 0.00 ATOM 21 CA PRO 7 14.088 24.095 -6.271 1.00 0.00 ATOM 22 CB PRO 7 14.588 25.505 -5.981 1.00 0.00 ATOM 23 CG PRO 7 16.021 25.410 -5.939 1.00 0.00 ATOM 24 CD PRO 7 16.326 24.080 -5.425 1.00 0.00 ATOM 25 O PRO 7 14.808 23.308 -8.432 1.00 0.00 ATOM 26 C PRO 7 13.904 23.845 -7.764 1.00 0.00 ATOM 27 N ARG 8 12.718 24.198 -8.270 1.00 0.00 ATOM 28 CA ARG 8 12.353 23.795 -9.624 1.00 0.00 ATOM 29 CB ARG 8 11.310 22.696 -9.622 1.00 0.00 ATOM 30 CG ARG 8 11.842 21.342 -9.217 1.00 0.00 ATOM 31 CD ARG 8 10.800 20.229 -9.430 1.00 0.00 ATOM 32 NE ARG 8 11.158 18.967 -8.780 1.00 0.00 ATOM 33 CZ ARG 8 11.445 17.855 -9.440 1.00 0.00 ATOM 34 NH1 ARG 8 11.405 17.889 -10.764 1.00 0.00 ATOM 35 NH2 ARG 8 11.768 16.717 -8.805 1.00 0.00 ATOM 36 O ARG 8 11.345 25.935 -9.572 1.00 0.00 ATOM 37 C ARG 8 11.785 25.009 -10.263 1.00 0.00 ATOM 38 N LEU 9 11.808 25.030 -11.587 1.00 0.00 ATOM 39 CA LEU 9 11.233 26.130 -12.330 1.00 0.00 ATOM 40 CB LEU 9 11.773 26.090 -13.734 1.00 0.00 ATOM 41 CG LEU 9 11.243 27.201 -14.629 1.00 0.00 ATOM 42 CD1 LEU 9 11.777 28.536 -14.130 1.00 0.00 ATOM 43 CD2 LEU 9 11.613 26.997 -16.060 1.00 0.00 ATOM 44 O LEU 9 9.222 24.865 -12.674 1.00 0.00 ATOM 45 C LEU 9 9.718 25.973 -12.408 1.00 0.00 ATOM 46 N SER 10 8.987 27.063 -12.182 1.00 0.00 ATOM 47 CA SER 10 7.608 27.092 -12.618 1.00 0.00 ATOM 48 CB SER 10 6.583 26.683 -11.568 1.00 0.00 ATOM 49 OG SER 10 6.967 27.153 -10.329 1.00 0.00 ATOM 50 O SER 10 8.202 29.172 -13.493 1.00 0.00 ATOM 51 C SER 10 7.287 28.417 -13.149 1.00 0.00 ATOM 52 N ARG 11 5.989 28.711 -13.181 1.00 0.00 ATOM 53 CA ARG 11 5.395 29.629 -14.128 1.00 0.00 ATOM 54 CB ARG 11 5.189 28.879 -15.409 1.00 0.00 ATOM 55 CG ARG 11 4.685 29.728 -16.592 1.00 0.00 ATOM 56 CD ARG 11 5.773 30.612 -17.048 1.00 0.00 ATOM 57 NE ARG 11 5.523 31.206 -18.346 1.00 0.00 ATOM 58 CZ ARG 11 4.763 30.690 -19.299 1.00 0.00 ATOM 59 NH1 ARG 11 4.148 29.528 -19.105 1.00 0.00 ATOM 60 NH2 ARG 11 4.628 31.371 -20.432 1.00 0.00 ATOM 61 O ARG 11 3.199 29.198 -13.468 1.00 0.00 ATOM 62 C ARG 11 4.033 30.027 -13.644 1.00 0.00 ATOM 63 N ILE 12 3.787 31.307 -13.461 1.00 0.00 ATOM 64 CA ILE 12 2.531 31.770 -12.947 1.00 0.00 ATOM 65 CB ILE 12 2.631 32.026 -11.445 1.00 0.00 ATOM 66 CG1 ILE 12 1.254 32.093 -10.753 1.00 0.00 ATOM 67 CG2 ILE 12 3.338 33.293 -11.204 1.00 0.00 ATOM 68 CD1 ILE 12 1.373 31.836 -9.274 1.00 0.00 ATOM 69 O ILE 12 3.003 33.840 -14.136 1.00 0.00 ATOM 70 C ILE 12 2.130 33.055 -13.632 1.00 0.00 ATOM 71 N ALA 13 0.814 33.269 -13.610 1.00 0.00 ATOM 72 CA ALA 13 0.209 34.476 -14.122 1.00 0.00 ATOM 73 CB ALA 13 -1.248 34.302 -14.285 1.00 0.00 ATOM 74 O ALA 13 0.054 35.287 -11.873 1.00 0.00 ATOM 75 C ALA 13 0.441 35.493 -13.055 1.00 0.00 ATOM 76 N ILE 14 1.030 36.604 -13.462 1.00 0.00 ATOM 77 CA ILE 14 1.234 37.685 -12.542 1.00 0.00 ATOM 78 CB ILE 14 1.902 38.895 -13.225 1.00 0.00 ATOM 79 CG1 ILE 14 3.351 38.563 -13.640 1.00 0.00 ATOM 80 CG2 ILE 14 1.862 40.109 -12.264 1.00 0.00 ATOM 81 CD1 ILE 14 3.817 39.482 -14.729 1.00 0.00 ATOM 82 O ILE 14 -0.077 38.526 -10.698 1.00 0.00 ATOM 83 C ILE 14 -0.071 38.129 -11.860 1.00 0.00 ATOM 84 N ASP 15 -1.191 38.036 -12.546 1.00 0.00 ATOM 85 CA ASP 15 -2.392 38.460 -11.861 1.00 0.00 ATOM 86 CB ASP 15 -3.523 38.672 -12.879 1.00 0.00 ATOM 87 CG ASP 15 -4.015 37.377 -13.443 1.00 0.00 ATOM 88 OD1 ASP 15 -4.002 36.388 -12.691 1.00 0.00 ATOM 89 OD2 ASP 15 -4.427 37.299 -14.635 1.00 0.00 ATOM 90 O ASP 15 -3.743 37.547 -10.089 1.00 0.00 ATOM 91 C ASP 15 -2.743 37.447 -10.720 1.00 0.00 ATOM 92 N LYS 16 -1.936 36.422 -10.518 1.00 0.00 ATOM 93 CA LYS 16 -2.298 35.399 -9.556 1.00 0.00 ATOM 94 CB LYS 16 -2.350 34.011 -10.216 1.00 0.00 ATOM 95 CG LYS 16 -3.518 33.842 -11.148 1.00 0.00 ATOM 96 CD LYS 16 -4.626 32.926 -10.589 1.00 0.00 ATOM 97 CE LYS 16 -5.918 32.960 -11.453 1.00 0.00 ATOM 98 NZ LYS 16 -6.684 34.293 -11.238 1.00 0.00 ATOM 99 O LYS 16 -1.648 34.776 -7.403 1.00 0.00 ATOM 100 C LYS 16 -1.340 35.396 -8.366 1.00 0.00 ATOM 101 N LEU 17 -0.204 36.113 -8.440 1.00 0.00 ATOM 102 CA LEU 17 0.723 36.207 -7.332 1.00 0.00 ATOM 103 CB LEU 17 2.020 36.859 -7.702 1.00 0.00 ATOM 104 CG LEU 17 2.992 35.951 -8.398 1.00 0.00 ATOM 105 CD1 LEU 17 3.946 36.820 -9.237 1.00 0.00 ATOM 106 CD2 LEU 17 3.717 35.178 -7.345 1.00 0.00 ATOM 107 O LEU 17 -0.315 38.091 -6.392 1.00 0.00 ATOM 108 C LEU 17 0.206 37.006 -6.217 1.00 0.00 ATOM 109 N ARG 18 0.425 36.509 -5.032 1.00 0.00 ATOM 110 CA ARG 18 -0.019 37.221 -3.908 1.00 0.00 ATOM 111 CB ARG 18 -0.631 36.224 -2.942 1.00 0.00 ATOM 112 CG ARG 18 -1.948 35.755 -3.452 1.00 0.00 ATOM 113 CD ARG 18 -3.090 36.361 -2.703 1.00 0.00 ATOM 114 NE ARG 18 -4.125 35.330 -2.590 1.00 0.00 ATOM 115 CZ ARG 18 -5.328 35.353 -3.178 1.00 0.00 ATOM 116 NH1 ARG 18 -5.755 36.424 -3.860 1.00 0.00 ATOM 117 NH2 ARG 18 -6.150 34.308 -3.030 1.00 0.00 ATOM 118 O ARG 18 2.101 37.430 -2.891 1.00 0.00 ATOM 119 C ARG 18 1.152 38.006 -3.317 1.00 0.00 ATOM 120 N PRO 19 1.069 39.330 -3.290 1.00 0.00 ATOM 121 CA PRO 19 2.071 40.223 -2.725 1.00 0.00 ATOM 122 CB PRO 19 1.353 41.587 -2.687 1.00 0.00 ATOM 123 CG PRO 19 0.337 41.512 -3.697 1.00 0.00 ATOM 124 CD PRO 19 -0.066 40.055 -3.879 1.00 0.00 ATOM 125 O PRO 19 1.658 39.225 -0.612 1.00 0.00 ATOM 126 C PRO 19 2.453 39.880 -1.278 1.00 0.00 ATOM 127 N THR 20 3.603 40.378 -0.761 1.00 0.00 ATOM 128 CA THR 20 3.802 40.219 0.645 1.00 0.00 ATOM 129 CB THR 20 4.793 38.981 0.981 1.00 0.00 ATOM 130 CG2 THR 20 4.267 37.597 0.465 1.00 0.00 ATOM 131 OG1 THR 20 6.085 39.216 0.450 1.00 0.00 ATOM 132 O THR 20 4.734 41.547 2.406 1.00 0.00 ATOM 133 C THR 20 4.191 41.511 1.295 1.00 0.00 ATOM 134 N GLN 21 3.892 42.614 0.634 1.00 0.00 ATOM 135 CA GLN 21 4.124 43.994 1.164 1.00 0.00 ATOM 136 CB GLN 21 5.551 44.485 0.861 1.00 0.00 ATOM 137 CG GLN 21 5.879 44.732 -0.605 1.00 0.00 ATOM 138 CD GLN 21 7.347 44.909 -0.833 1.00 0.00 ATOM 139 OE1 GLN 21 8.090 44.027 -0.494 1.00 0.00 ATOM 140 NE2 GLN 21 7.783 46.024 -1.459 1.00 0.00 ATOM 141 O GLN 21 2.437 44.644 -0.442 1.00 0.00 ATOM 142 C GLN 21 3.079 44.930 0.583 1.00 0.00 ATOM 143 N ILE 22 2.890 46.063 1.228 1.00 0.00 ATOM 144 CA ILE 22 1.817 46.974 0.917 1.00 0.00 ATOM 145 CB ILE 22 1.337 47.603 2.206 1.00 0.00 ATOM 146 CG1 ILE 22 0.684 46.511 3.030 1.00 0.00 ATOM 147 CG2 ILE 22 0.273 48.612 1.940 1.00 0.00 ATOM 148 CD1 ILE 22 0.423 46.856 4.362 1.00 0.00 ATOM 149 O ILE 22 1.473 48.440 -0.902 1.00 0.00 ATOM 150 C ILE 22 2.270 47.998 -0.087 1.00 0.00 ATOM 151 N ALA 23 3.570 48.333 -0.093 1.00 0.00 ATOM 152 CA ALA 23 4.033 49.500 -0.879 1.00 0.00 ATOM 153 CB ALA 23 4.129 50.771 -0.030 1.00 0.00 ATOM 154 O ALA 23 6.006 48.338 -1.354 1.00 0.00 ATOM 155 C ALA 23 5.290 49.257 -1.662 1.00 0.00 ATOM 156 N VAL 24 5.493 50.054 -2.713 1.00 0.00 ATOM 157 CA VAL 24 6.735 50.110 -3.468 1.00 0.00 ATOM 158 CB VAL 24 6.683 49.245 -4.741 1.00 0.00 ATOM 159 CG1 VAL 24 6.716 47.764 -4.434 1.00 0.00 ATOM 160 CG2 VAL 24 5.394 49.593 -5.605 1.00 0.00 ATOM 161 O VAL 24 5.959 52.371 -3.774 1.00 0.00 ATOM 162 C VAL 24 6.883 51.555 -3.928 1.00 0.00 ATOM 163 N GLY 25 8.029 51.884 -4.512 1.00 0.00 ATOM 164 CA GLY 25 8.318 53.232 -4.953 1.00 0.00 ATOM 165 O GLY 25 8.701 52.574 -7.204 1.00 0.00 ATOM 166 C GLY 25 8.024 53.224 -6.426 1.00 0.00 ATOM 167 N PHE 26 6.990 53.948 -6.825 1.00 0.00 ATOM 168 CA PHE 26 6.532 53.907 -8.169 1.00 0.00 ATOM 169 CB PHE 26 5.282 54.728 -8.288 1.00 0.00 ATOM 170 CG PHE 26 4.059 53.981 -7.931 1.00 0.00 ATOM 171 CD1 PHE 26 2.808 54.483 -8.270 1.00 0.00 ATOM 172 CD2 PHE 26 4.154 52.759 -7.222 1.00 0.00 ATOM 173 CE1 PHE 26 1.671 53.771 -7.912 1.00 0.00 ATOM 174 CE2 PHE 26 3.023 52.031 -6.860 1.00 0.00 ATOM 175 CZ PHE 26 1.791 52.506 -7.194 1.00 0.00 ATOM 176 O PHE 26 7.655 54.071 -10.197 1.00 0.00 ATOM 177 C PHE 26 7.580 54.472 -9.042 1.00 0.00 ATOM 178 N ARG 27 8.396 55.401 -8.535 1.00 0.00 ATOM 179 CA ARG 27 9.473 55.922 -9.388 1.00 0.00 ATOM 180 CB ARG 27 10.294 57.022 -8.691 1.00 0.00 ATOM 181 CG ARG 27 10.468 58.266 -9.522 1.00 0.00 ATOM 182 CD ARG 27 11.557 59.199 -9.008 1.00 0.00 ATOM 183 NE ARG 27 12.888 58.649 -9.265 1.00 0.00 ATOM 184 CZ ARG 27 13.840 59.243 -10.003 1.00 0.00 ATOM 185 NH1 ARG 27 13.599 60.436 -10.573 1.00 0.00 ATOM 186 NH2 ARG 27 15.033 58.631 -10.164 1.00 0.00 ATOM 187 O ARG 27 10.810 54.762 -11.008 1.00 0.00 ATOM 188 C ARG 27 10.394 54.779 -9.857 1.00 0.00 ATOM 189 N GLU 28 10.722 53.844 -8.940 1.00 0.00 ATOM 190 CA GLU 28 11.598 52.719 -9.225 1.00 0.00 ATOM 191 CB GLU 28 11.944 51.956 -7.926 1.00 0.00 ATOM 192 CG GLU 28 13.151 50.909 -7.997 1.00 0.00 ATOM 193 CD GLU 28 13.956 50.688 -6.587 1.00 0.00 ATOM 194 OE1 GLU 28 13.333 50.849 -5.482 1.00 0.00 ATOM 195 OE2 GLU 28 15.181 50.328 -6.555 1.00 0.00 ATOM 196 O GLU 28 11.407 51.537 -11.333 1.00 0.00 ATOM 197 C GLU 28 10.844 51.851 -10.255 1.00 0.00 ATOM 198 N VAL 29 9.559 51.528 -9.951 1.00 0.00 ATOM 199 CA VAL 29 8.692 50.839 -10.915 1.00 0.00 ATOM 200 CB VAL 29 7.219 50.851 -10.505 1.00 0.00 ATOM 201 CG1 VAL 29 6.310 50.306 -11.613 1.00 0.00 ATOM 202 CG2 VAL 29 7.050 50.066 -9.282 1.00 0.00 ATOM 203 O VAL 29 9.354 50.765 -13.234 1.00 0.00 ATOM 204 C VAL 29 8.859 51.455 -12.323 1.00 0.00 ATOM 205 N GLU 30 8.509 52.735 -12.496 1.00 0.00 ATOM 206 CA GLU 30 8.638 53.434 -13.813 1.00 0.00 ATOM 207 CB GLU 30 8.212 54.905 -13.723 1.00 0.00 ATOM 208 CG GLU 30 6.742 55.146 -13.358 1.00 0.00 ATOM 209 CD GLU 30 5.748 54.496 -14.331 1.00 0.00 ATOM 210 OE1 GLU 30 4.894 53.648 -13.870 1.00 0.00 ATOM 211 OE2 GLU 30 5.814 54.824 -15.552 1.00 0.00 ATOM 212 O GLU 30 10.112 53.043 -15.711 1.00 0.00 ATOM 213 C GLU 30 10.026 53.311 -14.488 1.00 0.00 ATOM 214 N LEU 31 11.110 53.482 -13.719 1.00 0.00 ATOM 215 CA LEU 31 12.450 53.190 -14.274 1.00 0.00 ATOM 216 CB LEU 31 13.588 53.506 -13.304 1.00 0.00 ATOM 217 CG LEU 31 13.666 55.026 -13.038 1.00 0.00 ATOM 218 CD1 LEU 31 14.791 55.326 -12.049 1.00 0.00 ATOM 219 CD2 LEU 31 13.780 55.907 -14.329 1.00 0.00 ATOM 220 O LEU 31 12.814 51.574 -15.990 1.00 0.00 ATOM 221 C LEU 31 12.528 51.755 -14.807 1.00 0.00 ATOM 222 N LYS 32 12.218 50.739 -13.976 1.00 0.00 ATOM 223 CA LYS 32 12.126 49.368 -14.504 1.00 0.00 ATOM 224 CB LYS 32 11.689 48.364 -13.464 1.00 0.00 ATOM 225 CG LYS 32 12.833 47.821 -12.585 1.00 0.00 ATOM 226 CD LYS 32 12.241 47.548 -11.216 1.00 0.00 ATOM 227 CE LYS 32 13.136 46.818 -10.244 1.00 0.00 ATOM 228 NZ LYS 32 14.594 46.947 -10.488 1.00 0.00 ATOM 229 O LYS 32 11.770 48.818 -16.783 1.00 0.00 ATOM 230 C LYS 32 11.283 49.323 -15.781 1.00 0.00 ATOM 231 N ARG 33 10.080 49.901 -15.799 1.00 0.00 ATOM 232 CA ARG 33 9.295 49.827 -16.999 1.00 0.00 ATOM 233 CB ARG 33 8.026 50.598 -16.830 1.00 0.00 ATOM 234 CG ARG 33 7.138 50.286 -15.687 1.00 0.00 ATOM 235 CD ARG 33 5.800 50.266 -16.342 1.00 0.00 ATOM 236 NE ARG 33 4.860 51.323 -16.068 1.00 0.00 ATOM 237 CZ ARG 33 3.935 51.683 -16.967 1.00 0.00 ATOM 238 NH1 ARG 33 3.891 51.106 -18.153 1.00 0.00 ATOM 239 NH2 ARG 33 3.051 52.616 -16.703 1.00 0.00 ATOM 240 O ARG 33 9.779 50.019 -19.363 1.00 0.00 ATOM 241 C ARG 33 10.011 50.450 -18.227 1.00 0.00 ATOM 242 N LYS 34 10.818 51.508 -18.049 1.00 0.00 ATOM 243 CA LYS 34 11.543 52.051 -19.211 1.00 0.00 ATOM 244 CB LYS 34 12.323 53.363 -18.952 1.00 0.00 ATOM 245 CG LYS 34 11.596 54.719 -19.242 1.00 0.00 ATOM 246 CD LYS 34 11.546 55.227 -20.716 1.00 0.00 ATOM 247 CE LYS 34 12.852 55.895 -21.213 1.00 0.00 ATOM 248 NZ LYS 34 13.697 56.521 -20.146 1.00 0.00 ATOM 249 O LYS 34 12.501 50.710 -20.869 1.00 0.00 ATOM 250 C LYS 34 12.512 51.020 -19.691 1.00 0.00 ATOM 251 N GLU 35 13.341 50.502 -18.779 1.00 0.00 ATOM 252 CA GLU 35 14.447 49.607 -19.160 1.00 0.00 ATOM 253 CB GLU 35 15.195 48.987 -17.939 1.00 0.00 ATOM 254 CG GLU 35 16.589 49.635 -17.499 1.00 0.00 ATOM 255 CD GLU 35 17.310 48.874 -16.262 1.00 0.00 ATOM 256 OE1 GLU 35 18.380 48.244 -16.482 1.00 0.00 ATOM 257 OE2 GLU 35 16.818 48.868 -15.072 1.00 0.00 ATOM 258 O GLU 35 14.285 48.331 -21.197 1.00 0.00 ATOM 259 C GLU 35 13.840 48.532 -20.057 1.00 0.00 ATOM 260 N TRP 36 12.783 47.906 -19.532 1.00 0.00 ATOM 261 CA TRP 36 12.089 46.835 -20.191 1.00 0.00 ATOM 262 CB TRP 36 11.026 46.256 -19.271 1.00 0.00 ATOM 263 CG TRP 36 10.048 45.378 -20.004 1.00 0.00 ATOM 264 CD1 TRP 36 8.901 45.781 -20.617 1.00 0.00 ATOM 265 CD2 TRP 36 10.139 43.960 -20.213 1.00 0.00 ATOM 266 CE2 TRP 36 9.005 43.579 -20.963 1.00 0.00 ATOM 267 CE3 TRP 36 11.082 42.980 -19.860 1.00 0.00 ATOM 268 NE1 TRP 36 8.273 44.715 -21.199 1.00 0.00 ATOM 269 CZ2 TRP 36 8.772 42.242 -21.379 1.00 0.00 ATOM 270 CZ3 TRP 36 10.861 41.624 -20.268 1.00 0.00 ATOM 271 CH2 TRP 36 9.701 41.275 -21.015 1.00 0.00 ATOM 272 O TRP 36 11.545 46.573 -22.474 1.00 0.00 ATOM 273 C TRP 36 11.451 47.279 -21.491 1.00 0.00 ATOM 274 N ARG 37 10.782 48.428 -21.495 1.00 0.00 ATOM 275 CA ARG 37 10.061 48.887 -22.679 1.00 0.00 ATOM 276 CB ARG 37 9.304 50.229 -22.411 1.00 0.00 ATOM 277 CG ARG 37 8.000 50.460 -23.260 1.00 0.00 ATOM 278 CD ARG 37 6.806 51.268 -22.534 1.00 0.00 ATOM 279 NE ARG 37 7.181 52.654 -22.184 1.00 0.00 ATOM 280 CZ ARG 37 7.218 53.194 -20.955 1.00 0.00 ATOM 281 NH1 ARG 37 6.827 52.537 -19.877 1.00 0.00 ATOM 282 NH2 ARG 37 7.642 54.435 -20.808 1.00 0.00 ATOM 283 O ARG 37 10.852 48.789 -24.964 1.00 0.00 ATOM 284 C ARG 37 11.125 48.978 -23.775 1.00 0.00 ATOM 285 N GLU 38 12.363 49.163 -23.331 1.00 0.00 ATOM 286 CA GLU 38 13.488 49.376 -24.217 1.00 0.00 ATOM 287 CB GLU 38 14.148 50.709 -23.881 1.00 0.00 ATOM 288 CG GLU 38 13.453 51.886 -24.590 1.00 0.00 ATOM 289 CD GLU 38 13.522 53.226 -23.834 1.00 0.00 ATOM 290 OE1 GLU 38 14.499 53.461 -23.073 1.00 0.00 ATOM 291 OE2 GLU 38 12.585 54.054 -24.023 1.00 0.00 ATOM 292 O GLU 38 15.698 48.503 -24.372 1.00 0.00 ATOM 293 C GLU 38 14.512 48.242 -24.242 1.00 0.00 ATOM 294 N THR 39 14.053 46.995 -24.108 1.00 0.00 ATOM 295 CA THR 39 14.822 45.798 -24.539 1.00 0.00 ATOM 296 CB THR 39 15.468 44.945 -23.330 1.00 0.00 ATOM 297 CG2 THR 39 16.848 45.528 -22.911 1.00 0.00 ATOM 298 OG1 THR 39 14.617 44.940 -22.171 1.00 0.00 ATOM 299 O THR 39 12.809 44.780 -25.460 1.00 0.00 ATOM 300 C THR 39 14.026 44.953 -25.588 1.00 0.00 ATOM 301 N ARG 40 14.733 44.441 -26.607 1.00 0.00 ATOM 302 CA ARG 40 14.153 43.987 -27.913 1.00 0.00 ATOM 303 CB ARG 40 15.214 43.250 -28.779 1.00 0.00 ATOM 304 O ARG 40 12.730 42.250 -27.059 1.00 0.00 ATOM 305 C ARG 40 12.854 43.180 -27.847 1.00 0.00 ATOM 306 N ASP 46 12.414 31.285 -26.655 1.00 0.00 ATOM 307 CA ASP 46 12.264 30.375 -25.497 1.00 0.00 ATOM 308 CB ASP 46 13.424 29.318 -25.359 1.00 0.00 ATOM 309 CG ASP 46 14.843 29.879 -25.726 1.00 0.00 ATOM 310 OD1 ASP 46 15.534 29.230 -26.544 1.00 0.00 ATOM 311 OD2 ASP 46 15.273 30.953 -25.212 1.00 0.00 ATOM 312 O ASP 46 11.721 32.327 -24.263 1.00 0.00 ATOM 313 C ASP 46 12.099 31.161 -24.217 1.00 0.00 ATOM 314 N PHE 47 12.404 30.502 -23.091 1.00 0.00 ATOM 315 CA PHE 47 12.328 31.066 -21.722 1.00 0.00 ATOM 316 CB PHE 47 11.898 29.973 -20.749 1.00 0.00 ATOM 317 CG PHE 47 10.420 29.684 -20.761 1.00 0.00 ATOM 318 CD1 PHE 47 9.516 30.571 -21.384 1.00 0.00 ATOM 319 CD2 PHE 47 9.922 28.528 -20.118 1.00 0.00 ATOM 320 CE1 PHE 47 8.149 30.305 -21.377 1.00 0.00 ATOM 321 CE2 PHE 47 8.557 28.248 -20.107 1.00 0.00 ATOM 322 CZ PHE 47 7.666 29.142 -20.727 1.00 0.00 ATOM 323 O PHE 47 13.623 32.471 -20.290 1.00 0.00 ATOM 324 C PHE 47 13.639 31.645 -21.185 1.00 0.00 ATOM 325 N LEU 48 14.771 31.154 -21.691 1.00 0.00 ATOM 326 CA LEU 48 16.100 31.703 -21.392 1.00 0.00 ATOM 327 CB LEU 48 17.175 30.798 -22.044 1.00 0.00 ATOM 328 CG LEU 48 17.352 29.298 -21.657 1.00 0.00 ATOM 329 CD1 LEU 48 16.037 28.494 -21.518 1.00 0.00 ATOM 330 CD2 LEU 48 18.302 28.603 -22.619 1.00 0.00 ATOM 331 O LEU 48 15.972 33.132 -23.268 1.00 0.00 ATOM 332 C LEU 48 16.138 33.063 -22.043 1.00 0.00 ATOM 333 N GLY 49 16.340 34.174 -21.337 1.00 0.00 ATOM 334 CA GLY 49 16.619 34.346 -19.940 1.00 0.00 ATOM 335 O GLY 49 16.133 36.672 -19.387 1.00 0.00 ATOM 336 C GLY 49 15.726 35.497 -19.465 1.00 0.00 ATOM 337 N ASN 50 14.486 35.129 -19.153 1.00 0.00 ATOM 338 CA ASN 50 13.616 35.979 -18.432 1.00 0.00 ATOM 339 CB ASN 50 12.186 35.556 -18.622 1.00 0.00 ATOM 340 CG ASN 50 11.879 35.241 -20.014 1.00 0.00 ATOM 341 ND2 ASN 50 12.634 35.841 -20.922 1.00 0.00 ATOM 342 OD1 ASN 50 10.971 34.451 -20.302 1.00 0.00 ATOM 343 O ASN 50 14.615 35.037 -16.503 1.00 0.00 ATOM 344 C ASN 50 13.882 35.893 -16.973 1.00 0.00 ATOM 345 N HIS 51 13.204 36.782 -16.272 1.00 0.00 ATOM 346 CA HIS 51 13.330 36.919 -14.848 1.00 0.00 ATOM 347 CB HIS 51 12.712 38.236 -14.374 1.00 0.00 ATOM 348 CG HIS 51 13.163 39.396 -15.186 1.00 0.00 ATOM 349 CD2 HIS 51 14.325 40.105 -15.160 1.00 0.00 ATOM 350 ND1 HIS 51 12.446 39.859 -16.280 1.00 0.00 ATOM 351 CE1 HIS 51 13.111 40.863 -16.835 1.00 0.00 ATOM 352 NE2 HIS 51 14.261 41.015 -16.190 1.00 0.00 ATOM 353 O HIS 51 11.629 35.263 -14.768 1.00 0.00 ATOM 354 C HIS 51 12.623 35.769 -14.227 1.00 0.00 ATOM 355 N ILE 52 13.188 35.369 -13.096 1.00 0.00 ATOM 356 CA ILE 52 12.664 34.350 -12.229 1.00 0.00 ATOM 357 CB ILE 52 13.732 33.277 -11.904 1.00 0.00 ATOM 358 CG1 ILE 52 14.772 33.317 -12.976 1.00 0.00 ATOM 359 CG2 ILE 52 13.070 31.901 -11.700 1.00 0.00 ATOM 360 CD1 ILE 52 15.623 31.926 -13.163 1.00 0.00 ATOM 361 O ILE 52 13.383 35.748 -10.516 1.00 0.00 ATOM 362 C ILE 52 12.494 35.064 -10.947 1.00 0.00 ATOM 363 N VAL 53 11.461 34.730 -10.236 1.00 0.00 ATOM 364 CA VAL 53 11.141 35.452 -9.072 1.00 0.00 ATOM 365 CB VAL 53 9.974 36.296 -9.555 1.00 0.00 ATOM 366 CG1 VAL 53 8.663 36.065 -8.881 1.00 0.00 ATOM 367 CG2 VAL 53 10.449 37.731 -9.807 1.00 0.00 ATOM 368 O VAL 53 10.340 33.365 -8.303 1.00 0.00 ATOM 369 C VAL 53 10.895 34.405 -8.009 1.00 0.00 ATOM 370 N PRO 54 11.427 34.592 -6.803 1.00 0.00 ATOM 371 CA PRO 54 11.258 33.531 -5.771 1.00 0.00 ATOM 372 CB PRO 54 12.298 33.920 -4.732 1.00 0.00 ATOM 373 CG PRO 54 12.368 35.312 -4.753 1.00 0.00 ATOM 374 CD PRO 54 12.183 35.730 -6.259 1.00 0.00 ATOM 375 O PRO 54 9.325 34.681 -4.992 1.00 0.00 ATOM 376 C PRO 54 9.897 33.619 -5.126 1.00 0.00 ATOM 377 N VAL 55 9.394 32.537 -4.620 1.00 0.00 ATOM 378 CA VAL 55 7.978 32.470 -4.227 1.00 0.00 ATOM 379 CB VAL 55 7.289 32.013 -5.493 1.00 0.00 ATOM 380 CG1 VAL 55 6.399 30.776 -5.286 1.00 0.00 ATOM 381 CG2 VAL 55 6.750 33.178 -6.326 1.00 0.00 ATOM 382 O VAL 55 8.680 30.570 -2.940 1.00 0.00 ATOM 383 C VAL 55 7.813 31.400 -3.131 1.00 0.00 ATOM 384 N VAL 56 6.725 31.413 -2.386 1.00 0.00 ATOM 385 CA VAL 56 6.537 30.470 -1.294 1.00 0.00 ATOM 386 CB VAL 56 6.582 31.280 0.058 1.00 0.00 ATOM 387 CG1 VAL 56 5.692 30.706 1.113 1.00 0.00 ATOM 388 CG2 VAL 56 7.953 31.312 0.603 1.00 0.00 ATOM 389 O VAL 56 4.294 30.557 -1.930 1.00 0.00 ATOM 390 C VAL 56 5.187 29.883 -1.533 1.00 0.00 ATOM 391 N ALA 57 4.963 28.634 -1.272 1.00 0.00 ATOM 392 CA ALA 57 3.633 28.120 -1.552 1.00 0.00 ATOM 393 CB ALA 57 3.661 26.636 -1.994 1.00 0.00 ATOM 394 O ALA 57 3.263 27.927 0.782 1.00 0.00 ATOM 395 C ALA 57 2.829 28.337 -0.273 1.00 0.00 ATOM 396 N GLY 58 1.675 29.014 -0.380 1.00 0.00 ATOM 397 CA GLY 58 0.813 29.255 0.749 1.00 0.00 ATOM 398 O GLY 58 -0.470 27.495 -0.100 1.00 0.00 ATOM 399 C GLY 58 -0.390 28.398 0.684 1.00 0.00 ATOM 400 N PRO 59 -1.370 28.729 1.494 1.00 0.00 ATOM 401 CA PRO 59 -2.622 28.034 1.692 1.00 0.00 ATOM 402 CB PRO 59 -3.361 28.924 2.638 1.00 0.00 ATOM 403 CG PRO 59 -2.330 29.684 3.284 1.00 0.00 ATOM 404 CD PRO 59 -1.290 29.966 2.268 1.00 0.00 ATOM 405 O PRO 59 -3.225 28.844 -0.440 1.00 0.00 ATOM 406 C PRO 59 -3.402 27.975 0.404 1.00 0.00 ATOM 407 N LYS 60 -4.260 26.951 0.248 1.00 0.00 ATOM 408 CA LYS 60 -4.959 26.706 -1.031 1.00 0.00 ATOM 409 CB LYS 60 -5.856 27.876 -1.378 1.00 0.00 ATOM 410 CG LYS 60 -6.854 28.107 -0.259 1.00 0.00 ATOM 411 CD LYS 60 -7.633 26.801 0.004 1.00 0.00 ATOM 412 CE LYS 60 -8.106 26.701 1.473 1.00 0.00 ATOM 413 NZ LYS 60 -9.352 27.550 1.814 1.00 0.00 ATOM 414 O LYS 60 -2.734 26.251 -1.635 1.00 0.00 ATOM 415 C LYS 60 -3.865 26.613 -2.005 1.00 0.00 ATOM 416 N ASP 61 -4.038 26.948 -3.250 1.00 0.00 ATOM 417 CA ASP 61 -2.740 26.715 -3.880 1.00 0.00 ATOM 418 CB ASP 61 -2.803 25.610 -4.921 1.00 0.00 ATOM 419 CG ASP 61 -2.684 24.253 -4.263 1.00 0.00 ATOM 420 OD1 ASP 61 -3.608 23.427 -4.514 1.00 0.00 ATOM 421 OD2 ASP 61 -1.707 24.065 -3.423 1.00 0.00 ATOM 422 O ASP 61 -0.765 27.811 -4.798 1.00 0.00 ATOM 423 C ASP 61 -1.752 27.886 -4.086 1.00 0.00 ATOM 424 N ARG 62 -1.970 28.930 -3.325 1.00 0.00 ATOM 425 CA ARG 62 -1.575 30.187 -3.772 1.00 0.00 ATOM 426 CB ARG 62 -2.479 31.234 -3.085 1.00 0.00 ATOM 427 CG ARG 62 -4.009 31.158 -3.488 1.00 0.00 ATOM 428 CD ARG 62 -4.120 31.264 -5.027 1.00 0.00 ATOM 429 NE ARG 62 -5.193 32.128 -5.521 1.00 0.00 ATOM 430 CZ ARG 62 -5.100 33.436 -5.862 1.00 0.00 ATOM 431 NH1 ARG 62 -3.979 34.148 -5.776 1.00 0.00 ATOM 432 NH2 ARG 62 -6.196 34.053 -6.304 1.00 0.00 ATOM 433 O ARG 62 0.591 29.792 -2.760 1.00 0.00 ATOM 434 C ARG 62 -0.054 30.351 -3.638 1.00 0.00 ATOM 435 N ALA 63 0.537 31.056 -4.577 1.00 0.00 ATOM 436 CA ALA 63 1.941 31.432 -4.528 1.00 0.00 ATOM 437 CB ALA 63 2.501 31.329 -5.889 1.00 0.00 ATOM 438 O ALA 63 1.534 33.813 -4.579 1.00 0.00 ATOM 439 C ALA 63 2.133 32.869 -4.010 1.00 0.00 ATOM 440 N TYR 64 2.989 33.042 -2.994 1.00 0.00 ATOM 441 CA TYR 64 3.305 34.395 -2.448 1.00 0.00 ATOM 442 CB TYR 64 3.271 34.372 -0.893 1.00 0.00 ATOM 443 CG TYR 64 1.870 34.187 -0.451 1.00 0.00 ATOM 444 CD1 TYR 64 1.230 32.939 -0.673 1.00 0.00 ATOM 445 CD2 TYR 64 1.106 35.287 0.016 1.00 0.00 ATOM 446 CE1 TYR 64 -0.138 32.750 -0.355 1.00 0.00 ATOM 447 CE2 TYR 64 -0.240 35.115 0.358 1.00 0.00 ATOM 448 CZ TYR 64 -0.836 33.828 0.171 1.00 0.00 ATOM 449 OH TYR 64 -2.129 33.594 0.464 1.00 0.00 ATOM 450 O TYR 64 5.623 34.200 -2.683 1.00 0.00 ATOM 451 C TYR 64 4.641 34.899 -2.886 1.00 0.00 ATOM 452 N LEU 65 4.686 36.068 -3.482 1.00 0.00 ATOM 453 CA LEU 65 5.908 36.676 -4.067 1.00 0.00 ATOM 454 CB LEU 65 5.527 37.944 -4.846 1.00 0.00 ATOM 455 CG LEU 65 6.700 38.702 -5.434 1.00 0.00 ATOM 456 CD1 LEU 65 7.530 37.822 -6.403 1.00 0.00 ATOM 457 CD2 LEU 65 6.270 39.995 -6.132 1.00 0.00 ATOM 458 O LEU 65 6.271 37.827 -2.030 1.00 0.00 ATOM 459 C LEU 65 6.762 37.143 -2.923 1.00 0.00 ATOM 460 N ILE 66 8.048 36.837 -2.959 1.00 0.00 ATOM 461 CA ILE 66 8.918 37.081 -1.782 1.00 0.00 ATOM 462 CB ILE 66 9.609 35.737 -1.367 1.00 0.00 ATOM 463 CG1 ILE 66 8.677 35.048 -0.435 1.00 0.00 ATOM 464 CG2 ILE 66 10.893 35.906 -0.646 1.00 0.00 ATOM 465 CD1 ILE 66 7.883 36.066 0.227 1.00 0.00 ATOM 466 O ILE 66 10.415 38.875 -1.124 1.00 0.00 ATOM 467 C ILE 66 9.911 38.216 -2.033 1.00 0.00 ATOM 468 N ASP 67 10.194 38.492 -3.280 1.00 0.00 ATOM 469 CA ASP 67 11.080 39.587 -3.509 1.00 0.00 ATOM 470 CB ASP 67 12.505 39.035 -3.649 1.00 0.00 ATOM 471 CG ASP 67 13.519 40.014 -3.172 1.00 0.00 ATOM 472 OD1 ASP 67 13.079 41.112 -2.715 1.00 0.00 ATOM 473 OD2 ASP 67 14.730 39.696 -3.251 1.00 0.00 ATOM 474 O ASP 67 9.874 39.628 -5.539 1.00 0.00 ATOM 475 C ASP 67 10.691 40.215 -4.803 1.00 0.00 ATOM 476 N HIS 68 11.316 41.327 -5.156 1.00 0.00 ATOM 477 CA HIS 68 11.112 41.827 -6.507 1.00 0.00 ATOM 478 CB HIS 68 11.526 40.820 -7.572 1.00 0.00 ATOM 479 CG HIS 68 12.886 40.264 -7.331 1.00 0.00 ATOM 480 CD2 HIS 68 13.288 39.078 -6.809 1.00 0.00 ATOM 481 ND1 HIS 68 14.037 40.984 -7.579 1.00 0.00 ATOM 482 CE1 HIS 68 15.086 40.263 -7.231 1.00 0.00 ATOM 483 NE2 HIS 68 14.656 39.113 -6.755 1.00 0.00 ATOM 484 O HIS 68 9.233 42.195 -7.899 1.00 0.00 ATOM 485 C HIS 68 9.717 42.321 -6.788 1.00 0.00 ATOM 486 N HIS 69 9.046 42.871 -5.806 1.00 0.00 ATOM 487 CA HIS 69 7.766 43.590 -6.146 1.00 0.00 ATOM 488 CB HIS 69 7.071 44.067 -4.891 1.00 0.00 ATOM 489 CG HIS 69 6.656 42.939 -3.991 1.00 0.00 ATOM 490 CD2 HIS 69 7.387 41.992 -3.354 1.00 0.00 ATOM 491 ND1 HIS 69 5.339 42.672 -3.672 1.00 0.00 ATOM 492 CE1 HIS 69 5.279 41.620 -2.870 1.00 0.00 ATOM 493 NE2 HIS 69 6.507 41.185 -2.671 1.00 0.00 ATOM 494 O HIS 69 6.988 44.890 -8.032 1.00 0.00 ATOM 495 C HIS 69 7.882 44.714 -7.220 1.00 0.00 ATOM 496 N HIS 70 8.977 45.459 -7.225 1.00 0.00 ATOM 497 CA HIS 70 9.054 46.589 -8.102 1.00 0.00 ATOM 498 CB HIS 70 10.355 47.343 -7.816 1.00 0.00 ATOM 499 CG HIS 70 10.356 48.040 -6.485 1.00 0.00 ATOM 500 CD2 HIS 70 10.706 47.610 -5.251 1.00 0.00 ATOM 501 ND1 HIS 70 9.851 49.317 -6.306 1.00 0.00 ATOM 502 CE1 HIS 70 9.926 49.656 -5.031 1.00 0.00 ATOM 503 NE2 HIS 70 10.430 48.636 -4.367 1.00 0.00 ATOM 504 O HIS 70 8.199 46.379 -10.319 1.00 0.00 ATOM 505 C HIS 70 8.996 46.008 -9.491 1.00 0.00 ATOM 506 N LEU 71 9.754 44.958 -9.694 1.00 0.00 ATOM 507 CA LEU 71 9.943 44.390 -11.003 1.00 0.00 ATOM 508 CB LEU 71 11.016 43.334 -10.955 1.00 0.00 ATOM 509 CG LEU 71 11.052 42.671 -12.320 1.00 0.00 ATOM 510 CD1 LEU 71 11.454 43.693 -13.368 1.00 0.00 ATOM 511 CD2 LEU 71 11.922 41.429 -12.381 1.00 0.00 ATOM 512 O LEU 71 8.207 43.984 -12.534 1.00 0.00 ATOM 513 C LEU 71 8.663 43.778 -11.396 1.00 0.00 ATOM 514 N VAL 72 8.029 43.065 -10.479 1.00 0.00 ATOM 515 CA VAL 72 6.761 42.463 -10.885 1.00 0.00 ATOM 516 CB VAL 72 6.282 41.331 -9.940 1.00 0.00 ATOM 517 CG1 VAL 72 4.953 40.825 -10.361 1.00 0.00 ATOM 518 CG2 VAL 72 7.281 40.147 -9.942 1.00 0.00 ATOM 519 O VAL 72 4.913 43.300 -12.241 1.00 0.00 ATOM 520 C VAL 72 5.640 43.476 -11.221 1.00 0.00 ATOM 521 N LEU 73 5.510 44.559 -10.453 1.00 0.00 ATOM 522 CA LEU 73 4.548 45.577 -10.869 1.00 0.00 ATOM 523 CB LEU 73 4.401 46.614 -9.799 1.00 0.00 ATOM 524 CG LEU 73 3.406 47.775 -9.893 1.00 0.00 ATOM 525 CD1 LEU 73 1.968 47.279 -10.091 1.00 0.00 ATOM 526 CD2 LEU 73 3.522 48.678 -8.666 1.00 0.00 ATOM 527 O LEU 73 4.127 46.447 -13.094 1.00 0.00 ATOM 528 C LEU 73 4.972 46.183 -12.222 1.00 0.00 ATOM 529 N ALA 74 6.279 46.379 -12.406 1.00 0.00 ATOM 530 CA ALA 74 6.728 46.983 -13.656 1.00 0.00 ATOM 531 CB ALA 74 8.236 47.080 -13.729 1.00 0.00 ATOM 532 O ALA 74 5.619 46.618 -15.796 1.00 0.00 ATOM 533 C ALA 74 6.200 46.106 -14.800 1.00 0.00 ATOM 534 N LEU 75 6.377 44.785 -14.652 1.00 0.00 ATOM 535 CA LEU 75 6.098 43.877 -15.772 1.00 0.00 ATOM 536 CB LEU 75 6.642 42.482 -15.493 1.00 0.00 ATOM 537 CG LEU 75 7.972 41.869 -15.942 1.00 0.00 ATOM 538 CD1 LEU 75 8.969 42.786 -16.424 1.00 0.00 ATOM 539 CD2 LEU 75 8.577 41.041 -14.834 1.00 0.00 ATOM 540 O LEU 75 4.048 43.858 -17.063 1.00 0.00 ATOM 541 C LEU 75 4.580 43.840 -15.950 1.00 0.00 ATOM 542 N SER 76 3.882 43.872 -14.838 1.00 0.00 ATOM 543 CA SER 76 2.452 43.846 -14.911 1.00 0.00 ATOM 544 CB SER 76 1.896 43.809 -13.537 1.00 0.00 ATOM 545 OG SER 76 0.539 43.966 -13.754 1.00 0.00 ATOM 546 O SER 76 1.115 44.938 -16.606 1.00 0.00 ATOM 547 C SER 76 1.899 45.073 -15.643 1.00 0.00 ATOM 548 N LYS 77 2.345 46.262 -15.220 1.00 0.00 ATOM 549 CA LYS 77 2.035 47.460 -15.963 1.00 0.00 ATOM 550 CB LYS 77 2.560 48.704 -15.268 1.00 0.00 ATOM 551 CG LYS 77 1.891 48.986 -13.953 1.00 0.00 ATOM 552 CD LYS 77 2.279 50.433 -13.474 1.00 0.00 ATOM 553 CE LYS 77 1.600 50.911 -12.162 1.00 0.00 ATOM 554 NZ LYS 77 1.810 52.396 -11.974 1.00 0.00 ATOM 555 O LYS 77 1.867 48.059 -18.290 1.00 0.00 ATOM 556 C LYS 77 2.482 47.406 -17.446 1.00 0.00 ATOM 557 N GLU 78 3.500 46.618 -17.801 1.00 0.00 ATOM 558 CA GLU 78 3.870 46.560 -19.236 1.00 0.00 ATOM 559 CB GLU 78 5.346 46.194 -19.435 1.00 0.00 ATOM 560 CG GLU 78 6.297 47.363 -19.382 1.00 0.00 ATOM 561 CD GLU 78 5.854 48.576 -20.259 1.00 0.00 ATOM 562 OE1 GLU 78 5.626 49.676 -19.665 1.00 0.00 ATOM 563 OE2 GLU 78 5.748 48.438 -21.522 1.00 0.00 ATOM 564 O GLU 78 3.297 45.382 -21.207 1.00 0.00 ATOM 565 C GLU 78 3.027 45.601 -20.038 1.00 0.00 ATOM 566 N GLY 79 2.022 45.007 -19.400 1.00 0.00 ATOM 567 CA GLY 79 1.169 44.019 -20.069 1.00 0.00 ATOM 568 O GLY 79 1.259 41.740 -20.808 1.00 0.00 ATOM 569 C GLY 79 1.749 42.592 -20.087 1.00 0.00 ATOM 570 N VAL 80 2.777 42.303 -19.293 1.00 0.00 ATOM 571 CA VAL 80 3.347 41.005 -19.340 1.00 0.00 ATOM 572 CB VAL 80 4.733 41.006 -18.738 1.00 0.00 ATOM 573 CG1 VAL 80 5.203 39.595 -18.642 1.00 0.00 ATOM 574 CG2 VAL 80 5.678 41.790 -19.585 1.00 0.00 ATOM 575 O VAL 80 2.156 40.534 -17.393 1.00 0.00 ATOM 576 C VAL 80 2.449 40.132 -18.484 1.00 0.00 ATOM 577 N GLU 81 2.018 38.967 -18.975 1.00 0.00 ATOM 578 CA GLU 81 1.088 38.060 -18.250 1.00 0.00 ATOM 579 CB GLU 81 0.274 37.219 -19.232 1.00 0.00 ATOM 580 CG GLU 81 0.801 37.291 -20.700 1.00 0.00 ATOM 581 CD GLU 81 -0.274 36.816 -21.726 1.00 0.00 ATOM 582 OE1 GLU 81 -1.096 35.921 -21.339 1.00 0.00 ATOM 583 OE2 GLU 81 -0.305 37.358 -22.868 1.00 0.00 ATOM 584 O GLU 81 1.170 36.875 -16.200 1.00 0.00 ATOM 585 C GLU 81 1.702 37.087 -17.264 1.00 0.00 ATOM 586 N HIS 82 2.801 36.468 -17.644 1.00 0.00 ATOM 587 CA HIS 82 3.388 35.454 -16.845 1.00 0.00 ATOM 588 CB HIS 82 3.409 34.177 -17.675 1.00 0.00 ATOM 589 CG HIS 82 2.054 33.576 -17.957 1.00 0.00 ATOM 590 CD2 HIS 82 1.261 32.771 -17.201 1.00 0.00 ATOM 591 ND1 HIS 82 1.394 33.742 -19.167 1.00 0.00 ATOM 592 CE1 HIS 82 0.260 33.066 -19.146 1.00 0.00 ATOM 593 NE2 HIS 82 0.157 32.463 -17.966 1.00 0.00 ATOM 594 O HIS 82 5.551 36.572 -16.962 1.00 0.00 ATOM 595 C HIS 82 4.830 35.779 -16.356 1.00 0.00 ATOM 596 N VAL 83 5.277 35.159 -15.267 1.00 0.00 ATOM 597 CA VAL 83 6.661 35.299 -14.889 1.00 0.00 ATOM 598 CB VAL 83 6.837 36.409 -13.842 1.00 0.00 ATOM 599 CG1 VAL 83 6.127 36.067 -12.481 1.00 0.00 ATOM 600 CG2 VAL 83 8.320 36.641 -13.541 1.00 0.00 ATOM 601 O VAL 83 6.445 33.202 -13.742 1.00 0.00 ATOM 602 C VAL 83 7.183 33.921 -14.382 1.00 0.00 ATOM 603 N LEU 84 8.431 33.552 -14.658 1.00 0.00 ATOM 604 CA LEU 84 9.020 32.343 -14.086 1.00 0.00 ATOM 605 CB LEU 84 10.375 32.136 -14.671 1.00 0.00 ATOM 606 CG LEU 84 10.374 31.995 -16.190 1.00 0.00 ATOM 607 CD1 LEU 84 11.763 31.750 -16.660 1.00 0.00 ATOM 608 CD2 LEU 84 9.337 30.934 -16.672 1.00 0.00 ATOM 609 O LEU 84 9.477 33.684 -12.159 1.00 0.00 ATOM 610 C LEU 84 9.231 32.534 -12.621 1.00 0.00 ATOM 611 N THR 85 9.129 31.449 -11.872 1.00 0.00 ATOM 612 CA THR 85 9.173 31.509 -10.431 1.00 0.00 ATOM 613 CB THR 85 7.793 31.242 -9.828 1.00 0.00 ATOM 614 CG2 THR 85 6.773 32.337 -10.097 1.00 0.00 ATOM 615 OG1 THR 85 7.284 30.007 -10.378 1.00 0.00 ATOM 616 O THR 85 10.046 29.272 -10.733 1.00 0.00 ATOM 617 C THR 85 9.924 30.246 -9.979 1.00 0.00 ATOM 618 N SER 86 10.379 30.253 -8.722 1.00 0.00 ATOM 619 CA SER 86 11.005 29.125 -8.136 1.00 0.00 ATOM 620 CB SER 86 12.492 29.323 -8.082 1.00 0.00 ATOM 621 OG SER 86 13.065 28.136 -7.580 1.00 0.00 ATOM 622 O SER 86 10.641 30.093 -5.988 1.00 0.00 ATOM 623 C SER 86 10.488 29.107 -6.725 1.00 0.00 ATOM 624 N GLU 87 9.824 28.013 -6.380 1.00 0.00 ATOM 625 CA GLU 87 9.305 27.829 -5.085 1.00 0.00 ATOM 626 CB GLU 87 8.294 26.666 -5.128 1.00 0.00 ATOM 627 CG GLU 87 7.693 26.240 -3.798 1.00 0.00 ATOM 628 CD GLU 87 6.626 25.074 -3.937 1.00 0.00 ATOM 629 OE1 GLU 87 6.879 23.911 -3.433 1.00 0.00 ATOM 630 OE2 GLU 87 5.527 25.340 -4.507 1.00 0.00 ATOM 631 O GLU 87 11.232 26.591 -4.434 1.00 0.00 ATOM 632 C GLU 87 10.504 27.548 -4.194 1.00 0.00 ATOM 633 N VAL 88 10.692 28.380 -3.170 1.00 0.00 ATOM 634 CA VAL 88 11.751 28.210 -2.187 1.00 0.00 ATOM 635 CB VAL 88 12.587 29.479 -1.995 1.00 0.00 ATOM 636 CG1 VAL 88 13.237 29.837 -3.275 1.00 0.00 ATOM 637 CG2 VAL 88 11.721 30.632 -1.459 1.00 0.00 ATOM 638 O VAL 88 12.074 27.732 0.159 1.00 0.00 ATOM 639 C VAL 88 11.278 27.785 -0.789 1.00 0.00 ATOM 640 N ALA 89 9.993 27.519 -0.634 1.00 0.00 ATOM 641 CA ALA 89 9.491 27.027 0.628 1.00 0.00 ATOM 642 CB ALA 89 9.691 28.045 1.724 1.00 0.00 ATOM 643 O ALA 89 7.352 27.313 -0.371 1.00 0.00 ATOM 644 C ALA 89 8.047 26.720 0.464 1.00 0.00 ATOM 645 N LYS 90 7.592 25.803 1.296 1.00 0.00 ATOM 646 CA LYS 90 6.282 25.186 1.116 1.00 0.00 ATOM 647 CB LYS 90 6.463 23.730 0.658 1.00 0.00 ATOM 648 CG LYS 90 5.429 23.299 -0.350 1.00 0.00 ATOM 649 CD LYS 90 5.737 21.888 -0.984 1.00 0.00 ATOM 650 CE LYS 90 4.525 21.393 -1.851 1.00 0.00 ATOM 651 NZ LYS 90 3.620 22.531 -2.536 1.00 0.00 ATOM 652 O LYS 90 5.940 24.523 3.380 1.00 0.00 ATOM 653 C LYS 90 5.578 25.253 2.447 1.00 0.00 ATOM 654 N PHE 91 4.598 26.133 2.561 1.00 0.00 ATOM 655 CA PHE 91 3.785 26.215 3.755 1.00 0.00 ATOM 656 CB PHE 91 3.854 27.602 4.361 1.00 0.00 ATOM 657 CG PHE 91 5.206 28.082 4.651 1.00 0.00 ATOM 658 CD1 PHE 91 6.101 27.329 5.333 1.00 0.00 ATOM 659 CD2 PHE 91 5.579 29.336 4.253 1.00 0.00 ATOM 660 CE1 PHE 91 7.381 27.774 5.608 1.00 0.00 ATOM 661 CE2 PHE 91 6.867 29.817 4.543 1.00 0.00 ATOM 662 CZ PHE 91 7.778 28.992 5.231 1.00 0.00 ATOM 663 O PHE 91 1.427 26.200 4.325 1.00 0.00 ATOM 664 C PHE 91 2.310 25.901 3.499 1.00 0.00 ATOM 665 N SER 92 2.027 25.269 2.388 1.00 0.00 ATOM 666 CA SER 92 0.671 25.014 2.031 1.00 0.00 ATOM 667 CB SER 92 0.600 24.538 0.591 1.00 0.00 ATOM 668 OG SER 92 1.513 23.458 0.485 1.00 0.00 ATOM 669 O SER 92 -1.058 23.763 2.847 1.00 0.00 ATOM 670 C SER 92 0.063 24.001 2.951 1.00 0.00 ATOM 671 N HIS 93 0.720 23.395 3.890 1.00 0.00 ATOM 672 CA HIS 93 -0.099 22.636 4.891 1.00 0.00 ATOM 673 CB HIS 93 0.680 21.521 5.598 1.00 0.00 ATOM 674 CG HIS 93 1.920 22.003 6.238 1.00 0.00 ATOM 675 CD2 HIS 93 2.308 22.041 7.542 1.00 0.00 ATOM 676 ND1 HIS 93 2.920 22.626 5.525 1.00 0.00 ATOM 677 CE1 HIS 93 3.881 23.010 6.360 1.00 0.00 ATOM 678 NE2 HIS 93 3.542 22.654 7.592 1.00 0.00 ATOM 679 O HIS 93 -1.583 23.180 6.685 1.00 0.00 ATOM 680 C HIS 93 -0.742 23.585 5.929 1.00 0.00 ATOM 681 N LEU 94 -0.336 24.833 6.006 1.00 0.00 ATOM 682 CA LEU 94 -0.918 25.693 7.046 1.00 0.00 ATOM 683 CB LEU 94 0.086 26.808 7.427 1.00 0.00 ATOM 684 CG LEU 94 1.479 26.276 7.765 1.00 0.00 ATOM 685 CD1 LEU 94 2.475 27.332 8.136 1.00 0.00 ATOM 686 CD2 LEU 94 1.446 25.206 8.869 1.00 0.00 ATOM 687 O LEU 94 -2.521 26.713 5.518 1.00 0.00 ATOM 688 C LEU 94 -2.279 26.341 6.687 1.00 0.00 ATOM 689 N GLY 95 -3.136 26.553 7.683 1.00 0.00 ATOM 690 CA GLY 95 -4.230 27.504 7.540 1.00 0.00 ATOM 691 O GLY 95 -2.468 29.228 7.532 1.00 0.00 ATOM 692 C GLY 95 -3.691 28.945 7.432 1.00 0.00 ATOM 693 N LYS 96 -4.604 29.886 7.266 1.00 0.00 ATOM 694 CA LYS 96 -4.225 31.209 6.780 1.00 0.00 ATOM 695 CB LYS 96 -5.460 31.866 6.159 1.00 0.00 ATOM 696 CG LYS 96 -5.925 31.122 4.847 1.00 0.00 ATOM 697 CD LYS 96 -6.924 29.876 5.038 1.00 0.00 ATOM 698 CE LYS 96 -7.685 29.721 3.685 1.00 0.00 ATOM 699 NZ LYS 96 -8.857 30.722 3.412 1.00 0.00 ATOM 700 O LYS 96 -2.705 32.838 7.736 1.00 0.00 ATOM 701 C LYS 96 -3.642 32.062 7.900 1.00 0.00 ATOM 702 N ASP 97 -4.242 31.868 9.048 1.00 0.00 ATOM 703 CA ASP 97 -3.864 32.485 10.248 1.00 0.00 ATOM 704 CB ASP 97 -4.729 31.774 11.294 1.00 0.00 ATOM 705 CG ASP 97 -5.469 32.719 12.157 1.00 0.00 ATOM 706 OD1 ASP 97 -5.073 33.908 12.110 1.00 0.00 ATOM 707 OD2 ASP 97 -6.427 32.264 12.866 1.00 0.00 ATOM 708 O ASP 97 -1.517 32.957 10.630 1.00 0.00 ATOM 709 C ASP 97 -2.414 32.109 10.498 1.00 0.00 ATOM 710 N GLU 98 -2.193 30.794 10.553 1.00 0.00 ATOM 711 CA GLU 98 -0.918 30.309 10.961 1.00 0.00 ATOM 712 CB GLU 98 -0.990 28.824 11.208 1.00 0.00 ATOM 713 CG GLU 98 0.306 28.320 11.707 1.00 0.00 ATOM 714 CD GLU 98 0.228 26.955 12.297 1.00 0.00 ATOM 715 OE1 GLU 98 -0.656 26.160 11.897 1.00 0.00 ATOM 716 OE2 GLU 98 1.096 26.649 13.145 1.00 0.00 ATOM 717 O GLU 98 1.191 31.202 10.205 1.00 0.00 ATOM 718 C GLU 98 0.114 30.719 9.896 1.00 0.00 ATOM 719 N PHE 99 -0.269 30.602 8.641 1.00 0.00 ATOM 720 CA PHE 99 0.572 30.987 7.617 1.00 0.00 ATOM 721 CB PHE 99 -0.245 30.978 6.363 1.00 0.00 ATOM 722 CG PHE 99 0.484 31.511 5.184 1.00 0.00 ATOM 723 CD1 PHE 99 1.479 30.785 4.607 1.00 0.00 ATOM 724 CD2 PHE 99 0.179 32.761 4.675 1.00 0.00 ATOM 725 CE1 PHE 99 2.150 31.267 3.481 1.00 0.00 ATOM 726 CE2 PHE 99 0.876 33.289 3.498 1.00 0.00 ATOM 727 CZ PHE 99 1.860 32.545 2.924 1.00 0.00 ATOM 728 O PHE 99 2.311 32.594 7.757 1.00 0.00 ATOM 729 C PHE 99 1.114 32.386 7.815 1.00 0.00 ATOM 730 N TRP 100 0.264 33.376 8.008 1.00 0.00 ATOM 731 CA TRP 100 0.810 34.730 8.049 1.00 0.00 ATOM 732 CB TRP 100 -0.285 35.730 8.247 1.00 0.00 ATOM 733 CG TRP 100 -0.990 35.992 7.030 1.00 0.00 ATOM 734 CD1 TRP 100 -2.288 35.660 6.761 1.00 0.00 ATOM 735 CD2 TRP 100 -0.434 36.552 5.809 1.00 0.00 ATOM 736 CE2 TRP 100 -1.461 36.538 4.851 1.00 0.00 ATOM 737 CE3 TRP 100 0.851 36.983 5.429 1.00 0.00 ATOM 738 NE1 TRP 100 -2.567 35.990 5.456 1.00 0.00 ATOM 739 CZ2 TRP 100 -1.310 37.060 3.568 1.00 0.00 ATOM 740 CZ3 TRP 100 1.030 37.495 4.137 1.00 0.00 ATOM 741 CH2 TRP 100 -0.078 37.553 3.219 1.00 0.00 ATOM 742 O TRP 100 2.791 35.546 9.021 1.00 0.00 ATOM 743 C TRP 100 1.754 34.918 9.186 1.00 0.00 ATOM 744 N SER 101 1.382 34.387 10.349 1.00 0.00 ATOM 745 CA SER 101 2.262 34.295 11.492 1.00 0.00 ATOM 746 CB SER 101 1.596 33.463 12.582 1.00 0.00 ATOM 747 OG SER 101 2.515 33.094 13.561 1.00 0.00 ATOM 748 O SER 101 4.663 34.291 11.484 1.00 0.00 ATOM 749 C SER 101 3.626 33.702 11.159 1.00 0.00 ATOM 750 N VAL 102 3.642 32.549 10.501 1.00 0.00 ATOM 751 CA VAL 102 4.910 31.930 10.225 1.00 0.00 ATOM 752 CB VAL 102 4.727 30.529 9.721 1.00 0.00 ATOM 753 CG1 VAL 102 5.882 30.057 8.970 1.00 0.00 ATOM 754 CG2 VAL 102 4.532 29.641 10.897 1.00 0.00 ATOM 755 O VAL 102 6.951 33.039 9.511 1.00 0.00 ATOM 756 C VAL 102 5.715 32.831 9.272 1.00 0.00 ATOM 757 N MET 103 5.038 33.365 8.239 1.00 0.00 ATOM 758 CA MET 103 5.683 34.310 7.320 1.00 0.00 ATOM 759 CB MET 103 4.685 34.828 6.299 1.00 0.00 ATOM 760 CG MET 103 4.093 33.765 5.424 1.00 0.00 ATOM 761 SD MET 103 5.407 33.190 4.078 1.00 0.00 ATOM 762 CE MET 103 4.972 34.655 2.823 1.00 0.00 ATOM 763 O MET 103 7.452 35.973 7.907 1.00 0.00 ATOM 764 C MET 103 6.263 35.545 8.077 1.00 0.00 ATOM 765 N ASP 104 5.408 36.110 8.918 1.00 0.00 ATOM 766 CA ASP 104 5.801 37.261 9.681 1.00 0.00 ATOM 767 CB ASP 104 4.667 37.647 10.607 1.00 0.00 ATOM 768 CG ASP 104 5.044 38.759 11.573 1.00 0.00 ATOM 769 OD1 ASP 104 5.783 39.752 11.197 1.00 0.00 ATOM 770 OD2 ASP 104 4.567 38.581 12.719 1.00 0.00 ATOM 771 O ASP 104 7.940 37.659 10.585 1.00 0.00 ATOM 772 C ASP 104 7.011 36.900 10.493 1.00 0.00 ATOM 773 N HIS 105 6.995 35.705 11.049 1.00 0.00 ATOM 774 CA HIS 105 7.996 35.252 11.978 1.00 0.00 ATOM 775 CB HIS 105 7.544 33.921 12.527 1.00 0.00 ATOM 776 CG HIS 105 7.970 33.669 13.912 1.00 0.00 ATOM 777 CD2 HIS 105 9.206 33.471 14.444 1.00 0.00 ATOM 778 ND1 HIS 105 7.066 33.540 14.950 1.00 0.00 ATOM 779 CE1 HIS 105 7.733 33.311 16.074 1.00 0.00 ATOM 780 NE2 HIS 105 9.036 33.261 15.797 1.00 0.00 ATOM 781 O HIS 105 10.348 35.053 11.842 1.00 0.00 ATOM 782 C HIS 105 9.286 35.008 11.257 1.00 0.00 ATOM 783 N ARG 106 9.175 34.646 10.004 1.00 0.00 ATOM 784 CA ARG 106 10.338 34.361 9.253 1.00 0.00 ATOM 785 CB ARG 106 10.146 33.087 8.451 1.00 0.00 ATOM 786 CG ARG 106 10.643 31.898 9.278 1.00 0.00 ATOM 787 CD ARG 106 9.841 30.693 8.968 1.00 0.00 ATOM 788 NE ARG 106 10.103 30.269 7.589 1.00 0.00 ATOM 789 CZ ARG 106 10.826 29.189 7.313 1.00 0.00 ATOM 790 NH1 ARG 106 11.318 28.471 8.309 1.00 0.00 ATOM 791 NH2 ARG 106 11.058 28.844 6.064 1.00 0.00 ATOM 792 O ARG 106 11.591 35.407 7.541 1.00 0.00 ATOM 793 C ARG 106 10.719 35.544 8.397 1.00 0.00 ATOM 794 N ASN 107 10.097 36.714 8.660 1.00 0.00 ATOM 795 CA ASN 107 10.464 37.959 8.005 1.00 0.00 ATOM 796 CB ASN 107 11.894 38.292 8.349 1.00 0.00 ATOM 797 CG ASN 107 12.055 38.741 9.822 1.00 0.00 ATOM 798 ND2 ASN 107 13.260 38.596 10.332 1.00 0.00 ATOM 799 OD1 ASN 107 11.102 39.218 10.484 1.00 0.00 ATOM 800 O ASN 107 11.137 38.501 5.786 1.00 0.00 ATOM 801 C ASN 107 10.288 37.968 6.497 1.00 0.00 ATOM 802 N LEU 108 9.173 37.417 6.027 1.00 0.00 ATOM 803 CA LEU 108 8.887 37.304 4.630 1.00 0.00 ATOM 804 CB LEU 108 8.579 35.850 4.251 1.00 0.00 ATOM 805 CG LEU 108 9.849 34.920 4.449 1.00 0.00 ATOM 806 CD1 LEU 108 9.624 33.424 4.339 1.00 0.00 ATOM 807 CD2 LEU 108 11.025 35.314 3.594 1.00 0.00 ATOM 808 O LEU 108 7.316 38.306 3.104 1.00 0.00 ATOM 809 C LEU 108 7.761 38.231 4.294 1.00 0.00 ATOM 810 N ILE 109 7.269 38.999 5.283 1.00 0.00 ATOM 811 CA ILE 109 6.242 39.993 4.906 1.00 0.00 ATOM 812 CB ILE 109 4.891 39.644 5.400 1.00 0.00 ATOM 813 CG1 ILE 109 4.900 39.593 6.922 1.00 0.00 ATOM 814 CG2 ILE 109 4.439 38.347 4.703 1.00 0.00 ATOM 815 CD1 ILE 109 3.569 39.562 7.544 1.00 0.00 ATOM 816 O ILE 109 7.484 41.452 6.122 1.00 0.00 ATOM 817 C ILE 109 6.609 41.341 5.376 1.00 0.00 ATOM 818 N TYR 110 5.982 42.387 4.883 1.00 0.00 ATOM 819 CA TYR 110 6.379 43.704 5.285 1.00 0.00 ATOM 820 CB TYR 110 7.439 44.280 4.349 1.00 0.00 ATOM 821 CG TYR 110 8.021 45.558 4.866 1.00 0.00 ATOM 822 CD1 TYR 110 7.753 46.801 4.233 1.00 0.00 ATOM 823 CD2 TYR 110 8.775 45.567 6.066 1.00 0.00 ATOM 824 CE1 TYR 110 8.258 48.028 4.723 1.00 0.00 ATOM 825 CE2 TYR 110 9.351 46.768 6.575 1.00 0.00 ATOM 826 CZ TYR 110 9.062 48.006 5.896 1.00 0.00 ATOM 827 OH TYR 110 9.618 49.189 6.401 1.00 0.00 ATOM 828 O TYR 110 4.898 45.278 4.352 1.00 0.00 ATOM 829 C TYR 110 5.137 44.533 5.277 1.00 0.00 ATOM 830 N PRO 111 4.306 44.368 6.294 1.00 0.00 ATOM 831 CA PRO 111 2.982 45.004 6.300 1.00 0.00 ATOM 832 CB PRO 111 2.247 44.283 7.408 1.00 0.00 ATOM 833 CG PRO 111 3.324 43.829 8.333 1.00 0.00 ATOM 834 CD PRO 111 4.561 43.566 7.498 1.00 0.00 ATOM 835 O PRO 111 2.613 46.801 7.757 1.00 0.00 ATOM 836 C PRO 111 3.078 46.458 6.688 1.00 0.00 ATOM 837 N PHE 112 3.728 47.287 5.865 1.00 0.00 ATOM 838 CA PHE 112 3.803 48.711 6.147 1.00 0.00 ATOM 839 CB PHE 112 5.208 49.146 6.499 1.00 0.00 ATOM 840 CG PHE 112 5.709 48.613 7.802 1.00 0.00 ATOM 841 CD1 PHE 112 6.272 47.366 7.884 1.00 0.00 ATOM 842 CD2 PHE 112 5.650 49.377 8.941 1.00 0.00 ATOM 843 CE1 PHE 112 6.747 46.886 9.116 1.00 0.00 ATOM 844 CE2 PHE 112 6.121 48.917 10.154 1.00 0.00 ATOM 845 CZ PHE 112 6.687 47.705 10.238 1.00 0.00 ATOM 846 O PHE 112 3.649 49.264 3.846 1.00 0.00 ATOM 847 C PHE 112 3.293 49.524 4.983 1.00 0.00 ATOM 848 N ASP 113 2.439 50.506 5.262 1.00 0.00 ATOM 849 CA ASP 113 1.805 51.273 4.189 1.00 0.00 ATOM 850 CB ASP 113 0.518 51.927 4.681 1.00 0.00 ATOM 851 CG ASP 113 0.798 52.978 5.669 1.00 0.00 ATOM 852 OD1 ASP 113 1.778 53.734 5.477 1.00 0.00 ATOM 853 OD2 ASP 113 0.034 53.068 6.651 1.00 0.00 ATOM 854 O ASP 113 3.733 52.650 4.260 1.00 0.00 ATOM 855 C ASP 113 2.718 52.373 3.674 1.00 0.00 ATOM 856 N ALA 114 2.255 53.051 2.632 1.00 0.00 ATOM 857 CA ALA 114 3.001 54.067 1.937 1.00 0.00 ATOM 858 CB ALA 114 2.226 54.581 0.708 1.00 0.00 ATOM 859 O ALA 114 4.476 55.874 2.549 1.00 0.00 ATOM 860 C ALA 114 3.487 55.201 2.873 1.00 0.00 ATOM 861 N GLN 115 2.873 55.399 4.039 1.00 0.00 ATOM 862 CA GLN 115 3.452 56.386 4.952 1.00 0.00 ATOM 863 CB GLN 115 2.542 57.579 5.340 1.00 0.00 ATOM 864 CG GLN 115 1.024 57.346 5.314 1.00 0.00 ATOM 865 CD GLN 115 0.494 57.105 3.875 1.00 0.00 ATOM 866 OE1 GLN 115 0.768 57.920 2.971 1.00 0.00 ATOM 867 NE2 GLN 115 -0.250 55.962 3.654 1.00 0.00 ATOM 868 O GLN 115 4.205 56.288 7.194 1.00 0.00 ATOM 869 C GLN 115 4.097 55.725 6.112 1.00 0.00 ATOM 870 N GLY 116 4.575 54.507 5.851 1.00 0.00 ATOM 871 CA GLY 116 5.319 53.714 6.828 1.00 0.00 ATOM 872 O GLY 116 5.337 52.891 9.017 1.00 0.00 ATOM 873 C GLY 116 4.651 53.215 8.085 1.00 0.00 ATOM 874 N LEU 117 3.327 53.166 8.131 1.00 0.00 ATOM 875 CA LEU 117 2.619 52.593 9.277 1.00 0.00 ATOM 876 CB LEU 117 1.147 53.031 9.230 1.00 0.00 ATOM 877 CG LEU 117 0.449 54.015 10.204 1.00 0.00 ATOM 878 CD1 LEU 117 0.255 53.362 11.670 1.00 0.00 ATOM 879 CD2 LEU 117 1.105 55.537 10.177 1.00 0.00 ATOM 880 O LEU 117 2.129 50.461 8.281 1.00 0.00 ATOM 881 C LEU 117 2.574 51.056 9.270 1.00 0.00 ATOM 882 N ARG 118 2.943 50.415 10.376 1.00 0.00 ATOM 883 CA ARG 118 2.576 48.998 10.582 1.00 0.00 ATOM 884 CB ARG 118 2.903 48.559 12.004 1.00 0.00 ATOM 885 CG ARG 118 2.584 47.113 12.355 1.00 0.00 ATOM 886 CD ARG 118 3.643 46.435 13.299 1.00 0.00 ATOM 887 NE ARG 118 3.986 45.218 12.571 1.00 0.00 ATOM 888 CZ ARG 118 5.172 44.756 12.183 1.00 0.00 ATOM 889 NH1 ARG 118 6.335 45.279 12.537 1.00 0.00 ATOM 890 NH2 ARG 118 5.167 43.655 11.465 1.00 0.00 ATOM 891 O ARG 118 0.264 49.616 10.809 1.00 0.00 ATOM 892 C ARG 118 1.078 48.848 10.328 1.00 0.00 ATOM 893 N ARG 119 0.711 47.875 9.542 1.00 0.00 ATOM 894 CA ARG 119 -0.655 47.590 9.290 1.00 0.00 ATOM 895 CB ARG 119 -0.955 48.118 7.910 1.00 0.00 ATOM 896 CG ARG 119 -1.413 49.573 7.884 1.00 0.00 ATOM 897 CD ARG 119 -2.898 49.521 7.629 1.00 0.00 ATOM 898 NE ARG 119 -3.548 50.759 7.947 1.00 0.00 ATOM 899 CZ ARG 119 -3.624 51.793 7.101 1.00 0.00 ATOM 900 NH1 ARG 119 -3.103 51.699 5.852 1.00 0.00 ATOM 901 NH2 ARG 119 -4.233 52.919 7.500 1.00 0.00 ATOM 902 O ARG 119 0.083 45.286 9.496 1.00 0.00 ATOM 903 C ARG 119 -0.864 46.078 9.448 1.00 0.00 ATOM 904 N GLN 120 -2.078 45.627 9.606 1.00 0.00 ATOM 905 CA GLN 120 -2.221 44.180 9.743 1.00 0.00 ATOM 906 CB GLN 120 -3.516 43.865 10.355 1.00 0.00 ATOM 907 CG GLN 120 -3.433 44.083 11.766 1.00 0.00 ATOM 908 CD GLN 120 -4.645 43.525 12.397 1.00 0.00 ATOM 909 OE1 GLN 120 -4.587 42.899 13.482 1.00 0.00 ATOM 910 NE2 GLN 120 -5.782 43.693 11.701 1.00 0.00 ATOM 911 O GLN 120 -2.236 43.873 7.372 1.00 0.00 ATOM 912 C GLN 120 -2.124 43.357 8.483 1.00 0.00 ATOM 913 N SER 121 -1.962 42.051 8.693 1.00 0.00 ATOM 914 CA SER 121 -1.712 41.113 7.629 1.00 0.00 ATOM 915 CB SER 121 -1.583 39.731 8.247 1.00 0.00 ATOM 916 OG SER 121 -0.211 39.569 8.681 1.00 0.00 ATOM 917 O SER 121 -2.588 41.275 5.383 1.00 0.00 ATOM 918 C SER 121 -2.828 41.170 6.592 1.00 0.00 ATOM 919 N GLY 122 -4.052 41.156 7.081 1.00 0.00 ATOM 920 CA GLY 122 -5.171 41.325 6.216 1.00 0.00 ATOM 921 O GLY 122 -5.635 42.551 4.205 1.00 0.00 ATOM 922 C GLY 122 -5.078 42.549 5.322 1.00 0.00 ATOM 923 N ASP 123 -4.371 43.595 5.763 1.00 0.00 ATOM 924 CA ASP 123 -4.246 44.801 4.927 1.00 0.00 ATOM 925 CB ASP 123 -3.869 46.052 5.725 1.00 0.00 ATOM 926 CG ASP 123 -5.018 46.546 6.643 1.00 0.00 ATOM 927 OD1 ASP 123 -4.788 46.870 7.854 1.00 0.00 ATOM 928 OD2 ASP 123 -6.173 46.629 6.169 1.00 0.00 ATOM 929 O ASP 123 -3.211 45.425 2.930 1.00 0.00 ATOM 930 C ASP 123 -3.265 44.569 3.792 1.00 0.00 ATOM 931 N ILE 124 -2.515 43.432 3.763 1.00 0.00 ATOM 932 CA ILE 124 -1.639 43.164 2.604 1.00 0.00 ATOM 933 CB ILE 124 -0.749 41.924 2.692 1.00 0.00 ATOM 934 CG1 ILE 124 0.142 41.857 3.950 1.00 0.00 ATOM 935 CG2 ILE 124 0.083 41.784 1.408 1.00 0.00 ATOM 936 CD1 ILE 124 0.937 43.013 4.171 1.00 0.00 ATOM 937 O ILE 124 -3.279 42.024 1.380 1.00 0.00 ATOM 938 C ILE 124 -2.494 42.933 1.357 1.00 0.00 ATOM 939 N PRO 125 -2.289 43.706 0.261 1.00 0.00 ATOM 940 CA PRO 125 -3.055 43.558 -0.978 1.00 0.00 ATOM 941 CB PRO 125 -2.284 44.448 -1.991 1.00 0.00 ATOM 942 CG PRO 125 -0.949 44.626 -1.448 1.00 0.00 ATOM 943 CD PRO 125 -1.196 44.688 0.067 1.00 0.00 ATOM 944 O PRO 125 -1.933 41.567 -1.459 1.00 0.00 ATOM 945 C PRO 125 -2.984 42.156 -1.518 1.00 0.00 ATOM 946 N LYS 126 -4.069 41.676 -2.086 1.00 0.00 ATOM 947 CA LYS 126 -4.129 40.407 -2.773 1.00 0.00 ATOM 948 CB LYS 126 -5.522 39.789 -2.724 1.00 0.00 ATOM 949 CG LYS 126 -5.967 39.430 -1.279 1.00 0.00 ATOM 950 CD LYS 126 -6.967 40.481 -0.809 1.00 0.00 ATOM 951 CE LYS 126 -6.689 40.891 0.633 1.00 0.00 ATOM 952 NZ LYS 126 -6.923 39.794 1.670 1.00 0.00 ATOM 953 O LYS 126 -3.054 39.466 -4.589 1.00 0.00 ATOM 954 C LYS 126 -3.636 40.423 -4.186 1.00 0.00 ATOM 955 N ASN 127 -3.800 41.497 -4.935 1.00 0.00 ATOM 956 CA ASN 127 -3.156 41.602 -6.234 1.00 0.00 ATOM 957 CB ASN 127 -4.166 42.009 -7.283 1.00 0.00 ATOM 958 CG ASN 127 -5.553 41.642 -6.897 1.00 0.00 ATOM 959 ND2 ASN 127 -6.173 42.487 -6.041 1.00 0.00 ATOM 960 OD1 ASN 127 -6.095 40.602 -7.345 1.00 0.00 ATOM 961 O ASN 127 -2.177 43.725 -5.600 1.00 0.00 ATOM 962 C ASN 127 -2.050 42.653 -6.242 1.00 0.00 ATOM 963 N ILE 128 -0.992 42.342 -6.990 1.00 0.00 ATOM 964 CA ILE 128 0.067 43.255 -7.362 1.00 0.00 ATOM 965 CB ILE 128 0.862 42.621 -8.519 1.00 0.00 ATOM 966 CG1 ILE 128 1.529 41.302 -8.079 1.00 0.00 ATOM 967 CG2 ILE 128 1.942 43.507 -8.979 1.00 0.00 ATOM 968 CD1 ILE 128 2.794 41.531 -7.169 1.00 0.00 ATOM 969 O ILE 128 -0.029 45.645 -7.306 1.00 0.00 ATOM 970 C ILE 128 -0.463 44.631 -7.815 1.00 0.00 ATOM 971 N HIS 129 -1.399 44.674 -8.762 1.00 0.00 ATOM 972 CA HIS 129 -1.908 45.971 -9.218 1.00 0.00 ATOM 973 CB HIS 129 -2.865 45.802 -10.426 1.00 0.00 ATOM 974 CG HIS 129 -4.237 45.209 -10.098 1.00 0.00 ATOM 975 CD2 HIS 129 -4.958 44.219 -10.706 1.00 0.00 ATOM 976 ND1 HIS 129 -5.076 45.703 -9.101 1.00 0.00 ATOM 977 CE1 HIS 129 -6.227 45.033 -9.091 1.00 0.00 ATOM 978 NE2 HIS 129 -6.182 44.131 -10.059 1.00 0.00 ATOM 979 O HIS 129 -2.593 48.090 -8.273 1.00 0.00 ATOM 980 C HIS 129 -2.416 46.919 -8.052 1.00 0.00 ATOM 981 N ASP 130 -2.578 46.398 -6.820 1.00 0.00 ATOM 982 CA ASP 130 -2.907 47.182 -5.597 1.00 0.00 ATOM 983 CB ASP 130 -3.748 46.355 -4.639 1.00 0.00 ATOM 984 CG ASP 130 -5.160 46.060 -5.169 1.00 0.00 ATOM 985 OD1 ASP 130 -5.737 46.909 -5.894 1.00 0.00 ATOM 986 OD2 ASP 130 -5.679 44.953 -4.803 1.00 0.00 ATOM 987 O ASP 130 -1.930 48.279 -3.743 1.00 0.00 ATOM 988 C ASP 130 -1.732 47.683 -4.729 1.00 0.00 ATOM 989 N LEU 131 -0.494 47.422 -5.051 1.00 0.00 ATOM 990 CA LEU 131 0.556 48.084 -4.321 1.00 0.00 ATOM 991 CB LEU 131 1.862 47.708 -4.949 1.00 0.00 ATOM 992 CG LEU 131 2.014 46.212 -4.635 1.00 0.00 ATOM 993 CD1 LEU 131 3.235 45.592 -5.289 1.00 0.00 ATOM 994 CD2 LEU 131 2.108 46.025 -3.097 1.00 0.00 ATOM 995 O LEU 131 -0.048 50.182 -5.222 1.00 0.00 ATOM 996 C LEU 131 0.367 49.596 -4.266 1.00 0.00 ATOM 997 N GLU 132 0.638 50.184 -3.095 1.00 0.00 ATOM 998 CA GLU 132 0.659 51.617 -2.803 1.00 0.00 ATOM 999 CB GLU 132 0.445 51.830 -1.323 1.00 0.00 ATOM 1000 CG GLU 132 -0.936 51.591 -0.910 1.00 0.00 ATOM 1001 CD GLU 132 -1.162 51.726 0.618 1.00 0.00 ATOM 1002 OE1 GLU 132 -2.196 51.163 1.125 1.00 0.00 ATOM 1003 OE2 GLU 132 -0.344 52.408 1.306 1.00 0.00 ATOM 1004 O GLU 132 3.034 51.492 -3.121 1.00 0.00 ATOM 1005 C GLU 132 2.016 52.207 -3.126 1.00 0.00 ATOM 1006 N ASP 133 2.066 53.522 -3.350 1.00 0.00 ATOM 1007 CA ASP 133 3.322 54.143 -3.783 1.00 0.00 ATOM 1008 CB ASP 133 3.059 55.268 -4.766 1.00 0.00 ATOM 1009 CG ASP 133 4.338 56.042 -5.194 1.00 0.00 ATOM 1010 OD1 ASP 133 5.508 55.570 -5.125 1.00 0.00 ATOM 1011 OD2 ASP 133 4.165 57.189 -5.659 1.00 0.00 ATOM 1012 O ASP 133 3.371 55.548 -1.950 1.00 0.00 ATOM 1013 C ASP 133 3.960 54.658 -2.566 1.00 0.00 ATOM 1014 N ASP 134 5.131 54.113 -2.184 1.00 0.00 ATOM 1015 CA ASP 134 5.886 54.783 -1.131 1.00 0.00 ATOM 1016 CB ASP 134 6.207 53.891 0.049 1.00 0.00 ATOM 1017 CG ASP 134 7.188 54.553 1.087 1.00 0.00 ATOM 1018 OD1 ASP 134 7.466 55.793 0.964 1.00 0.00 ATOM 1019 OD2 ASP 134 7.708 53.830 2.038 1.00 0.00 ATOM 1020 O ASP 134 8.109 55.190 -2.061 1.00 0.00 ATOM 1021 C ASP 134 7.052 55.659 -1.687 1.00 0.00 ATOM 1022 N PRO 135 6.827 56.975 -1.763 1.00 0.00 ATOM 1023 CA PRO 135 7.856 57.787 -2.435 1.00 0.00 ATOM 1024 CB PRO 135 7.242 59.214 -2.501 1.00 0.00 ATOM 1025 CG PRO 135 6.120 59.213 -1.401 1.00 0.00 ATOM 1026 CD PRO 135 5.640 57.753 -1.316 1.00 0.00 ATOM 1027 O PRO 135 10.219 57.912 -2.273 1.00 0.00 ATOM 1028 C PRO 135 9.159 57.776 -1.668 1.00 0.00 ATOM 1029 N PHE 136 9.142 57.583 -0.359 1.00 0.00 ATOM 1030 CA PHE 136 10.473 57.425 0.301 1.00 0.00 ATOM 1031 CB PHE 136 10.465 57.716 1.807 1.00 0.00 ATOM 1032 CG PHE 136 10.185 59.148 2.084 1.00 0.00 ATOM 1033 CD1 PHE 136 8.852 59.593 2.240 1.00 0.00 ATOM 1034 CD2 PHE 136 11.221 60.103 2.028 1.00 0.00 ATOM 1035 CE1 PHE 136 8.564 60.939 2.406 1.00 0.00 ATOM 1036 CE2 PHE 136 10.936 61.483 2.198 1.00 0.00 ATOM 1037 CZ PHE 136 9.599 61.891 2.403 1.00 0.00 ATOM 1038 O PHE 136 12.377 56.047 -0.059 1.00 0.00 ATOM 1039 C PHE 136 11.128 56.124 -0.045 1.00 0.00 ATOM 1040 N ARG 137 10.320 55.112 -0.375 1.00 0.00 ATOM 1041 CA ARG 137 10.956 53.931 -0.841 1.00 0.00 ATOM 1042 CB ARG 137 9.945 52.854 -1.049 1.00 0.00 ATOM 1043 CG ARG 137 10.519 51.611 -1.602 1.00 0.00 ATOM 1044 CD ARG 137 11.512 51.039 -0.680 1.00 0.00 ATOM 1045 NE ARG 137 12.075 49.836 -1.237 1.00 0.00 ATOM 1046 CZ ARG 137 12.971 49.832 -2.229 1.00 0.00 ATOM 1047 NH1 ARG 137 13.373 50.981 -2.762 1.00 0.00 ATOM 1048 NH2 ARG 137 13.441 48.685 -2.710 1.00 0.00 ATOM 1049 O ARG 137 12.904 53.673 -2.278 1.00 0.00 ATOM 1050 C ARG 137 11.785 54.238 -2.115 1.00 0.00 ATOM 1051 N SER 138 11.290 55.128 -3.003 1.00 0.00 ATOM 1052 CA SER 138 12.015 55.414 -4.256 1.00 0.00 ATOM 1053 CB SER 138 11.205 56.248 -5.182 1.00 0.00 ATOM 1054 OG SER 138 10.089 55.559 -5.637 1.00 0.00 ATOM 1055 O SER 138 14.305 56.025 -4.583 1.00 0.00 ATOM 1056 C SER 138 13.242 56.208 -3.968 1.00 0.00 ATOM 1057 N LEU 139 13.080 57.146 -3.052 1.00 0.00 ATOM 1058 CA LEU 139 14.205 57.958 -2.647 1.00 0.00 ATOM 1059 CB LEU 139 13.784 59.013 -1.628 1.00 0.00 ATOM 1060 CG LEU 139 14.910 60.015 -1.347 1.00 0.00 ATOM 1061 CD1 LEU 139 15.276 60.871 -2.575 1.00 0.00 ATOM 1062 CD2 LEU 139 14.622 60.873 -0.171 1.00 0.00 ATOM 1063 O LEU 139 16.430 57.159 -2.517 1.00 0.00 ATOM 1064 C LEU 139 15.304 57.066 -2.062 1.00 0.00 ATOM 1065 N ALA 140 14.958 56.197 -1.092 1.00 0.00 ATOM 1066 CA ALA 140 15.900 55.284 -0.524 1.00 0.00 ATOM 1067 CB ALA 140 15.265 54.479 0.557 1.00 0.00 ATOM 1068 O ALA 140 17.750 54.159 -1.610 1.00 0.00 ATOM 1069 C ALA 140 16.552 54.397 -1.628 1.00 0.00 ATOM 1070 N GLY 141 15.803 53.961 -2.626 1.00 0.00 ATOM 1071 CA GLY 141 16.425 53.166 -3.742 1.00 0.00 ATOM 1072 O GLY 141 18.623 53.564 -4.644 1.00 0.00 ATOM 1073 C GLY 141 17.478 54.009 -4.433 1.00 0.00 ATOM 1074 N ALA 142 17.135 55.262 -4.724 1.00 0.00 ATOM 1075 CA ALA 142 17.926 56.044 -5.642 1.00 0.00 ATOM 1076 CB ALA 142 17.221 57.262 -6.008 1.00 0.00 ATOM 1077 O ALA 142 20.252 56.405 -5.504 1.00 0.00 ATOM 1078 C ALA 142 19.170 56.379 -4.899 1.00 0.00 ATOM 1079 N LEU 143 19.023 56.561 -3.582 1.00 0.00 ATOM 1080 CA LEU 143 20.115 56.886 -2.676 1.00 0.00 ATOM 1081 CB LEU 143 19.642 56.833 -1.247 1.00 0.00 ATOM 1082 CG LEU 143 20.128 57.702 -0.098 1.00 0.00 ATOM 1083 CD1 LEU 143 19.938 56.949 1.216 1.00 0.00 ATOM 1084 CD2 LEU 143 21.518 58.118 -0.234 1.00 0.00 ATOM 1085 O LEU 143 22.356 56.126 -2.812 1.00 0.00 ATOM 1086 C LEU 143 21.158 55.830 -2.760 1.00 0.00 ATOM 1087 N ARG 144 20.706 54.576 -2.771 1.00 0.00 ATOM 1088 CA ARG 144 21.660 53.522 -2.747 1.00 0.00 ATOM 1089 CB ARG 144 21.036 52.189 -2.456 1.00 0.00 ATOM 1090 CG ARG 144 22.099 51.180 -2.039 1.00 0.00 ATOM 1091 CD ARG 144 21.781 49.752 -2.406 1.00 0.00 ATOM 1092 NE ARG 144 20.367 49.601 -2.664 1.00 0.00 ATOM 1093 CZ ARG 144 19.897 49.170 -3.821 1.00 0.00 ATOM 1094 NH1 ARG 144 20.773 48.810 -4.759 1.00 0.00 ATOM 1095 NH2 ARG 144 18.567 49.089 -4.019 1.00 0.00 ATOM 1096 O ARG 144 23.551 53.278 -4.161 1.00 0.00 ATOM 1097 C ARG 144 22.349 53.487 -4.083 1.00 0.00 ATOM 1098 N MET 145 21.560 53.722 -5.119 1.00 0.00 ATOM 1099 CA MET 145 22.000 53.583 -6.452 1.00 0.00 ATOM 1100 CB MET 145 20.835 53.889 -7.321 1.00 0.00 ATOM 1101 CG MET 145 20.808 53.145 -8.562 1.00 0.00 ATOM 1102 SD MET 145 19.008 52.338 -8.722 1.00 0.00 ATOM 1103 CE MET 145 19.707 50.561 -9.506 1.00 0.00 ATOM 1104 O MET 145 23.890 54.543 -7.552 1.00 0.00 ATOM 1105 C MET 145 23.044 54.635 -6.637 1.00 0.00 ATOM 1106 N ALA 146 22.999 55.653 -5.773 1.00 0.00 ATOM 1107 CA ALA 146 23.932 56.766 -5.933 1.00 0.00 ATOM 1108 CB ALA 146 23.288 58.115 -5.574 1.00 0.00 ATOM 1109 O ALA 146 26.241 57.121 -5.455 1.00 0.00 ATOM 1110 C ALA 146 25.219 56.537 -5.162 1.00 0.00 ATOM 1111 N GLY 147 25.184 55.686 -4.164 1.00 0.00 ATOM 1112 CA GLY 147 26.400 55.335 -3.483 1.00 0.00 ATOM 1113 O GLY 147 27.207 55.906 -1.381 1.00 0.00 ATOM 1114 C GLY 147 26.258 55.813 -2.072 1.00 0.00 ATOM 1115 N GLY 148 25.061 56.114 -1.632 1.00 0.00 ATOM 1116 CA GLY 148 24.879 56.501 -0.277 1.00 0.00 ATOM 1117 O GLY 148 25.279 55.767 1.924 1.00 0.00 ATOM 1118 C GLY 148 24.962 55.419 0.785 1.00 0.00 ATOM 1119 N TYR 149 24.652 54.148 0.485 1.00 0.00 ATOM 1120 CA TYR 149 24.898 53.049 1.453 1.00 0.00 ATOM 1121 CB TYR 149 23.799 52.857 2.516 1.00 0.00 ATOM 1122 CG TYR 149 22.403 52.655 1.950 1.00 0.00 ATOM 1123 CD1 TYR 149 21.866 51.394 1.755 1.00 0.00 ATOM 1124 CD2 TYR 149 21.619 53.768 1.573 1.00 0.00 ATOM 1125 CE1 TYR 149 20.568 51.256 1.195 1.00 0.00 ATOM 1126 CE2 TYR 149 20.386 53.621 1.010 1.00 0.00 ATOM 1127 CZ TYR 149 19.854 52.396 0.833 1.00 0.00 ATOM 1128 OH TYR 149 18.579 52.333 0.267 1.00 0.00 ATOM 1129 O TYR 149 25.013 51.775 -0.539 1.00 0.00 ATOM 1130 C TYR 149 25.138 51.771 0.688 1.00 0.00 ATOM 1131 N ALA 150 25.506 50.695 1.369 1.00 0.00 ATOM 1132 CA ALA 150 25.755 49.449 0.677 1.00 0.00 ATOM 1133 CB ALA 150 26.999 48.791 1.236 1.00 0.00 ATOM 1134 O ALA 150 23.965 48.449 1.853 1.00 0.00 ATOM 1135 C ALA 150 24.605 48.480 0.800 1.00 0.00 ATOM 1136 N LYS 151 24.392 47.654 -0.239 1.00 0.00 ATOM 1137 CA LYS 151 23.550 46.449 -0.114 1.00 0.00 ATOM 1138 CB LYS 151 23.536 45.588 -1.385 1.00 0.00 ATOM 1139 CG LYS 151 23.045 46.310 -2.634 1.00 0.00 ATOM 1140 CD LYS 151 22.351 45.383 -3.677 1.00 0.00 ATOM 1141 CE LYS 151 22.683 45.803 -5.160 1.00 0.00 ATOM 1142 NZ LYS 151 22.844 44.657 -6.178 1.00 0.00 ATOM 1143 O LYS 151 25.257 45.579 1.303 1.00 0.00 ATOM 1144 C LYS 151 24.080 45.624 1.055 1.00 0.00 ATOM 1145 N VAL 152 23.208 44.980 1.786 1.00 0.00 ATOM 1146 CA VAL 152 23.569 44.255 2.947 1.00 0.00 ATOM 1147 CB VAL 152 23.428 45.237 4.155 1.00 0.00 ATOM 1148 CG1 VAL 152 22.941 44.571 5.418 1.00 0.00 ATOM 1149 CG2 VAL 152 24.745 45.913 4.449 1.00 0.00 ATOM 1150 O VAL 152 21.548 43.170 2.163 1.00 0.00 ATOM 1151 C VAL 152 22.562 43.095 2.906 1.00 0.00 ATOM 1152 N ILE 153 22.797 42.040 3.691 1.00 0.00 ATOM 1153 CA ILE 153 21.904 40.866 3.707 1.00 0.00 ATOM 1154 CB ILE 153 22.658 39.591 3.976 1.00 0.00 ATOM 1155 CG1 ILE 153 23.439 39.691 5.306 1.00 0.00 ATOM 1156 CG2 ILE 153 23.578 39.302 2.777 1.00 0.00 ATOM 1157 CD1 ILE 153 23.862 38.270 5.992 1.00 0.00 ATOM 1158 O ILE 153 19.628 40.276 4.260 1.00 0.00 ATOM 1159 C ILE 153 20.611 40.958 4.556 1.00 0.00 ATOM 1160 N ILE 154 20.607 41.788 5.593 1.00 0.00 ATOM 1161 CA ILE 154 19.379 42.293 6.229 1.00 0.00 ATOM 1162 CB ILE 154 19.707 43.678 6.877 1.00 0.00 ATOM 1163 CG1 ILE 154 20.482 43.516 8.198 1.00 0.00 ATOM 1164 CG2 ILE 154 18.462 44.572 7.017 1.00 0.00 ATOM 1165 CD1 ILE 154 21.879 42.711 8.085 1.00 0.00 ATOM 1166 O ILE 154 18.193 43.223 4.288 1.00 0.00 ATOM 1167 C ILE 154 18.144 42.481 5.291 1.00 0.00 ATOM 1168 N PRO 155 16.998 41.885 5.658 1.00 0.00 ATOM 1169 CA PRO 155 15.790 42.059 4.829 1.00 0.00 ATOM 1170 CB PRO 155 14.793 41.128 5.500 1.00 0.00 ATOM 1171 CG PRO 155 15.257 41.100 6.950 1.00 0.00 ATOM 1172 CD PRO 155 16.732 41.079 6.863 1.00 0.00 ATOM 1173 O PRO 155 15.368 44.150 5.947 1.00 0.00 ATOM 1174 C PRO 155 15.283 43.511 4.881 1.00 0.00 ATOM 1175 N PHE 156 14.799 44.045 3.750 1.00 0.00 ATOM 1176 CA PHE 156 14.136 45.341 3.800 1.00 0.00 ATOM 1177 CB PHE 156 12.953 45.201 4.781 1.00 0.00 ATOM 1178 CG PHE 156 11.967 44.045 4.432 1.00 0.00 ATOM 1179 CD1 PHE 156 11.692 43.032 5.363 1.00 0.00 ATOM 1180 CD2 PHE 156 11.297 43.996 3.173 1.00 0.00 ATOM 1181 CE1 PHE 156 10.788 42.002 5.061 1.00 0.00 ATOM 1182 CE2 PHE 156 10.391 42.945 2.855 1.00 0.00 ATOM 1183 CZ PHE 156 10.139 41.955 3.796 1.00 0.00 ATOM 1184 O PHE 156 14.660 47.423 4.913 1.00 0.00 ATOM 1185 C PHE 156 15.073 46.472 4.247 1.00 0.00 ATOM 1186 N SER 157 16.348 46.359 3.887 1.00 0.00 ATOM 1187 CA SER 157 17.374 47.404 4.108 1.00 0.00 ATOM 1188 CB SER 157 18.552 47.162 3.189 1.00 0.00 ATOM 1189 OG SER 157 19.720 47.934 3.544 1.00 0.00 ATOM 1190 O SER 157 16.899 49.686 4.463 1.00 0.00 ATOM 1191 C SER 157 16.835 48.736 3.712 1.00 0.00 ATOM 1192 N GLU 158 16.328 48.806 2.492 1.00 0.00 ATOM 1193 CA GLU 158 15.805 50.018 1.916 1.00 0.00 ATOM 1194 CB GLU 158 15.329 49.764 0.479 1.00 0.00 ATOM 1195 CG GLU 158 16.441 49.655 -0.530 1.00 0.00 ATOM 1196 CD GLU 158 16.979 48.255 -0.693 1.00 0.00 ATOM 1197 OE1 GLU 158 16.479 47.273 -0.027 1.00 0.00 ATOM 1198 OE2 GLU 158 17.934 48.155 -1.510 1.00 0.00 ATOM 1199 O GLU 158 14.635 51.821 2.914 1.00 0.00 ATOM 1200 C GLU 158 14.682 50.622 2.712 1.00 0.00 ATOM 1201 N PHE 159 13.786 49.803 3.176 1.00 0.00 ATOM 1202 CA PHE 159 12.715 50.343 3.923 1.00 0.00 ATOM 1203 CB PHE 159 11.615 49.305 4.102 1.00 0.00 ATOM 1204 CG PHE 159 10.613 49.304 2.958 1.00 0.00 ATOM 1205 CD1 PHE 159 10.504 48.212 2.094 1.00 0.00 ATOM 1206 CD2 PHE 159 9.813 50.439 2.706 1.00 0.00 ATOM 1207 CE1 PHE 159 9.574 48.238 1.027 1.00 0.00 ATOM 1208 CE2 PHE 159 8.882 50.479 1.644 1.00 0.00 ATOM 1209 CZ PHE 159 8.755 49.367 0.820 1.00 0.00 ATOM 1210 O PHE 159 12.525 51.968 5.700 1.00 0.00 ATOM 1211 C PHE 159 13.171 51.019 5.229 1.00 0.00 ATOM 1212 N GLY 160 14.318 50.578 5.759 1.00 0.00 ATOM 1213 CA GLY 160 14.973 51.222 6.908 1.00 0.00 ATOM 1214 O GLY 160 15.257 53.560 7.347 1.00 0.00 ATOM 1215 C GLY 160 15.478 52.606 6.597 1.00 0.00 ATOM 1216 N TRP 161 16.103 52.727 5.442 1.00 0.00 ATOM 1217 CA TRP 161 16.542 54.023 4.928 1.00 0.00 ATOM 1218 CB TRP 161 17.472 53.837 3.731 1.00 0.00 ATOM 1219 CG TRP 161 18.848 53.441 4.215 1.00 0.00 ATOM 1220 CD1 TRP 161 19.313 52.174 4.444 1.00 0.00 ATOM 1221 CD2 TRP 161 19.879 54.323 4.639 1.00 0.00 ATOM 1222 CE2 TRP 161 20.945 53.525 5.078 1.00 0.00 ATOM 1223 CE3 TRP 161 20.017 55.730 4.658 1.00 0.00 ATOM 1224 NE1 TRP 161 20.563 52.223 4.939 1.00 0.00 ATOM 1225 CZ2 TRP 161 22.145 54.059 5.514 1.00 0.00 ATOM 1226 CZ3 TRP 161 21.211 56.275 5.108 1.00 0.00 ATOM 1227 CH2 TRP 161 22.271 55.428 5.524 1.00 0.00 ATOM 1228 O TRP 161 15.379 56.136 4.910 1.00 0.00 ATOM 1229 C TRP 161 15.357 54.928 4.590 1.00 0.00 ATOM 1230 N ALA 162 14.321 54.354 3.981 1.00 0.00 ATOM 1231 CA ALA 162 13.146 55.142 3.696 1.00 0.00 ATOM 1232 CB ALA 162 12.152 54.352 2.861 1.00 0.00 ATOM 1233 O ALA 162 12.094 56.804 5.043 1.00 0.00 ATOM 1234 C ALA 162 12.495 55.673 4.985 1.00 0.00 ATOM 1235 N ASP 163 12.412 54.870 6.032 1.00 0.00 ATOM 1236 CA ASP 163 11.862 55.404 7.233 1.00 0.00 ATOM 1237 CB ASP 163 11.533 54.271 8.209 1.00 0.00 ATOM 1238 CG ASP 163 11.404 54.780 9.668 1.00 0.00 ATOM 1239 OD1 ASP 163 10.605 55.750 9.901 1.00 0.00 ATOM 1240 OD2 ASP 163 12.094 54.256 10.598 1.00 0.00 ATOM 1241 O ASP 163 12.296 57.605 8.218 1.00 0.00 ATOM 1242 C ASP 163 12.767 56.550 7.816 1.00 0.00 ATOM 1243 N PHE 164 14.076 56.379 7.805 1.00 0.00 ATOM 1244 CA PHE 164 14.975 57.436 8.250 1.00 0.00 ATOM 1245 CB PHE 164 16.397 56.927 8.048 1.00 0.00 ATOM 1246 CG PHE 164 17.489 57.939 8.315 1.00 0.00 ATOM 1247 CD1 PHE 164 17.870 58.249 9.598 1.00 0.00 ATOM 1248 CD2 PHE 164 18.205 58.507 7.267 1.00 0.00 ATOM 1249 CE1 PHE 164 18.895 59.125 9.837 1.00 0.00 ATOM 1250 CE2 PHE 164 19.238 59.402 7.527 1.00 0.00 ATOM 1251 CZ PHE 164 19.560 59.700 8.801 1.00 0.00 ATOM 1252 O PHE 164 14.394 59.758 8.044 1.00 0.00 ATOM 1253 C PHE 164 14.679 58.729 7.458 1.00 0.00 ATOM 1254 N LEU 165 14.662 58.660 6.125 1.00 0.00 ATOM 1255 CA LEU 165 14.518 59.846 5.362 1.00 0.00 ATOM 1256 CB LEU 165 14.732 59.610 3.890 1.00 0.00 ATOM 1257 CG LEU 165 16.063 58.942 3.532 1.00 0.00 ATOM 1258 CD1 LEU 165 15.922 58.183 2.260 1.00 0.00 ATOM 1259 CD2 LEU 165 17.280 59.908 3.498 1.00 0.00 ATOM 1260 O LEU 165 12.966 61.693 5.508 1.00 0.00 ATOM 1261 C LEU 165 13.138 60.433 5.624 1.00 0.00 ATOM 1262 N ARG 166 12.149 59.607 6.006 1.00 0.00 ATOM 1263 CA ARG 166 10.810 60.144 5.839 1.00 0.00 ATOM 1264 CB ARG 166 9.700 59.136 5.651 1.00 0.00 ATOM 1265 CG ARG 166 8.653 59.022 6.737 1.00 0.00 ATOM 1266 CD ARG 166 8.146 57.522 6.785 1.00 0.00 ATOM 1267 NE ARG 166 7.479 57.244 5.510 1.00 0.00 ATOM 1268 CZ ARG 166 7.797 56.293 4.652 1.00 0.00 ATOM 1269 NH1 ARG 166 8.719 55.426 4.918 1.00 0.00 ATOM 1270 NH2 ARG 166 7.130 56.214 3.524 1.00 0.00 ATOM 1271 O ARG 166 9.680 61.874 6.913 1.00 0.00 ATOM 1272 C ARG 166 10.566 60.989 6.988 1.00 0.00 ATOM 1273 N ARG 167 11.381 60.784 8.028 1.00 0.00 ATOM 1274 CA ARG 167 11.214 61.601 9.234 1.00 0.00 ATOM 1275 CB ARG 167 11.564 60.791 10.468 1.00 0.00 ATOM 1276 CG ARG 167 11.182 59.345 10.356 1.00 0.00 ATOM 1277 CD ARG 167 11.667 58.522 11.530 1.00 0.00 ATOM 1278 NE ARG 167 10.642 58.539 12.541 1.00 0.00 ATOM 1279 CZ ARG 167 9.977 57.478 12.987 1.00 0.00 ATOM 1280 NH1 ARG 167 10.225 56.271 12.516 1.00 0.00 ATOM 1281 NH2 ARG 167 9.048 57.643 13.928 1.00 0.00 ATOM 1282 O ARG 167 12.000 63.674 10.076 1.00 0.00 ATOM 1283 C ARG 167 12.023 62.899 9.174 1.00 0.00 ATOM 1284 N ARG 168 12.689 63.134 8.054 1.00 0.00 ATOM 1285 CA ARG 168 13.731 64.147 7.942 1.00 0.00 ATOM 1286 CB ARG 168 15.082 63.461 7.966 1.00 0.00 ATOM 1287 CG ARG 168 15.541 63.216 9.361 1.00 0.00 ATOM 1288 CD ARG 168 16.724 62.316 9.403 1.00 0.00 ATOM 1289 NE ARG 168 16.948 61.891 10.781 1.00 0.00 ATOM 1290 CZ ARG 168 16.352 60.849 11.336 1.00 0.00 ATOM 1291 NH1 ARG 168 15.521 60.133 10.595 1.00 0.00 ATOM 1292 NH2 ARG 168 16.608 60.504 12.599 1.00 0.00 ATOM 1293 O ARG 168 14.299 65.933 6.563 1.00 0.00 ATOM 1294 C ARG 168 13.689 64.926 6.662 1.00 0.00 ATOM 1295 N ILE 169 13.058 64.421 5.623 1.00 0.00 ATOM 1296 CA ILE 169 12.977 65.210 4.431 1.00 0.00 ATOM 1297 CB ILE 169 13.689 64.532 3.264 1.00 0.00 ATOM 1298 CG1 ILE 169 15.191 64.358 3.530 1.00 0.00 ATOM 1299 CG2 ILE 169 13.488 65.313 1.966 1.00 0.00 ATOM 1300 CD1 ILE 169 15.891 63.563 2.368 1.00 0.00 ATOM 1301 O ILE 169 10.643 64.573 4.301 1.00 0.00 ATOM 1302 C ILE 169 11.490 65.472 4.185 1.00 0.00 ATOM 1303 N ASP 170 11.195 66.726 3.900 1.00 0.00 ATOM 1304 CA ASP 170 9.853 67.233 3.637 1.00 0.00 ATOM 1305 CB ASP 170 10.083 68.737 3.423 1.00 0.00 ATOM 1306 CG ASP 170 8.847 69.531 3.211 1.00 0.00 ATOM 1307 OD1 ASP 170 7.712 69.027 3.126 1.00 0.00 ATOM 1308 OD2 ASP 170 9.024 70.769 3.107 1.00 0.00 ATOM 1309 O ASP 170 9.948 66.450 1.388 1.00 0.00 ATOM 1310 C ASP 170 9.249 66.517 2.389 1.00 0.00 ATOM 1311 N ARG 171 8.012 65.965 2.426 1.00 0.00 ATOM 1312 CA ARG 171 7.447 65.324 1.187 1.00 0.00 ATOM 1313 CB ARG 171 6.045 64.757 1.373 1.00 0.00 ATOM 1314 CG ARG 171 5.799 64.020 2.617 1.00 0.00 ATOM 1315 CD ARG 171 4.286 64.250 3.052 1.00 0.00 ATOM 1316 NE ARG 171 3.902 63.238 4.061 1.00 0.00 ATOM 1317 CZ ARG 171 3.004 63.407 5.034 1.00 0.00 ATOM 1318 NH1 ARG 171 2.339 64.566 5.154 1.00 0.00 ATOM 1319 NH2 ARG 171 2.769 62.404 5.890 1.00 0.00 ATOM 1320 O ARG 171 7.479 65.890 -1.198 1.00 0.00 ATOM 1321 C ARG 171 7.337 66.291 -0.021 1.00 0.00 ATOM 1322 N ASP 172 7.025 67.533 0.297 1.00 0.00 ATOM 1323 CA ASP 172 7.005 68.588 -0.652 1.00 0.00 ATOM 1324 CB ASP 172 6.463 69.864 0.037 1.00 0.00 ATOM 1325 CG ASP 172 4.981 69.690 0.456 1.00 0.00 ATOM 1326 OD1 ASP 172 4.414 68.609 0.130 1.00 0.00 ATOM 1327 OD2 ASP 172 4.375 70.602 1.086 1.00 0.00 ATOM 1328 O ASP 172 8.362 69.292 -2.508 1.00 0.00 ATOM 1329 C ASP 172 8.346 68.811 -1.370 1.00 0.00 ATOM 1330 N LEU 173 9.472 68.461 -0.747 1.00 0.00 ATOM 1331 CA LEU 173 10.736 68.620 -1.435 1.00 0.00 ATOM 1332 CB LEU 173 11.890 68.482 -0.465 1.00 0.00 ATOM 1333 CG LEU 173 13.162 69.328 -0.727 1.00 0.00 ATOM 1334 CD1 LEU 173 14.435 68.458 -0.860 1.00 0.00 ATOM 1335 CD2 LEU 173 13.040 70.455 -1.868 1.00 0.00 ATOM 1336 O LEU 173 11.346 67.712 -3.542 1.00 0.00 ATOM 1337 C LEU 173 10.816 67.531 -2.454 1.00 0.00 ATOM 1338 N LEU 174 10.243 66.405 -2.070 1.00 0.00 ATOM 1339 CA LEU 174 10.362 65.154 -2.791 1.00 0.00 ATOM 1340 CB LEU 174 9.873 63.996 -1.925 1.00 0.00 ATOM 1341 CG LEU 174 10.779 62.796 -1.879 1.00 0.00 ATOM 1342 CD1 LEU 174 10.164 61.551 -1.223 1.00 0.00 ATOM 1343 CD2 LEU 174 11.299 62.445 -3.263 1.00 0.00 ATOM 1344 O LEU 174 9.842 64.497 -5.023 1.00 0.00 ATOM 1345 C LEU 174 9.519 65.181 -4.047 1.00 0.00 ATOM 1346 N SER 175 8.413 65.898 -4.032 1.00 0.00 ATOM 1347 CA SER 175 7.662 65.905 -5.258 1.00 0.00 ATOM 1348 CB SER 175 6.162 65.839 -5.019 1.00 0.00 ATOM 1349 OG SER 175 5.878 66.477 -3.813 1.00 0.00 ATOM 1350 O SER 175 7.931 67.078 -7.300 1.00 0.00 ATOM 1351 C SER 175 8.043 67.113 -6.081 1.00 0.00 ATOM 1352 N ASP 176 8.467 68.177 -5.397 1.00 0.00 ATOM 1353 CA ASP 176 8.894 69.396 -6.031 1.00 0.00 ATOM 1354 CB ASP 176 9.314 70.450 -4.997 1.00 0.00 ATOM 1355 CG ASP 176 8.153 71.353 -4.453 1.00 0.00 ATOM 1356 OD1 ASP 176 6.910 71.251 -4.740 1.00 0.00 ATOM 1357 OD2 ASP 176 8.577 72.212 -3.655 1.00 0.00 ATOM 1358 O ASP 176 10.153 69.268 -8.081 1.00 0.00 ATOM 1359 C ASP 176 10.128 69.043 -6.852 1.00 0.00 ATOM 1360 N SER 177 11.150 68.509 -6.170 1.00 0.00 ATOM 1361 CA SER 177 12.415 68.210 -6.792 1.00 0.00 ATOM 1362 CB SER 177 13.400 69.371 -6.718 1.00 0.00 ATOM 1363 OG SER 177 14.637 68.970 -7.341 1.00 0.00 ATOM 1364 O SER 177 13.704 67.027 -5.142 1.00 0.00 ATOM 1365 C SER 177 13.059 66.983 -6.199 1.00 0.00 ATOM 1366 N PHE 178 12.901 65.887 -6.924 1.00 0.00 ATOM 1367 CA PHE 178 13.480 64.645 -6.555 1.00 0.00 ATOM 1368 CB PHE 178 13.205 63.592 -7.624 1.00 0.00 ATOM 1369 CG PHE 178 13.464 62.221 -7.132 1.00 0.00 ATOM 1370 CD1 PHE 178 12.508 61.576 -6.343 1.00 0.00 ATOM 1371 CD2 PHE 178 14.699 61.612 -7.333 1.00 0.00 ATOM 1372 CE1 PHE 178 12.737 60.288 -5.824 1.00 0.00 ATOM 1373 CE2 PHE 178 14.953 60.356 -6.799 1.00 0.00 ATOM 1374 CZ PHE 178 13.941 59.680 -6.033 1.00 0.00 ATOM 1375 O PHE 178 15.507 64.221 -5.296 1.00 0.00 ATOM 1376 C PHE 178 14.987 64.747 -6.303 1.00 0.00 ATOM 1377 N ASP 179 15.696 65.420 -7.221 1.00 0.00 ATOM 1378 CA ASP 179 17.149 65.422 -7.173 1.00 0.00 ATOM 1379 CB ASP 179 17.758 65.818 -8.508 1.00 0.00 ATOM 1380 CG ASP 179 17.510 64.749 -9.611 1.00 0.00 ATOM 1381 OD1 ASP 179 17.975 63.546 -9.504 1.00 0.00 ATOM 1382 OD2 ASP 179 16.844 65.130 -10.601 1.00 0.00 ATOM 1383 O ASP 179 18.601 65.856 -5.378 1.00 0.00 ATOM 1384 C ASP 179 17.632 66.242 -6.008 1.00 0.00 ATOM 1385 N ASP 180 16.920 67.313 -5.670 1.00 0.00 ATOM 1386 CA ASP 180 17.207 68.025 -4.441 1.00 0.00 ATOM 1387 CB ASP 180 16.460 69.337 -4.375 1.00 0.00 ATOM 1388 CG ASP 180 16.846 70.254 -5.460 1.00 0.00 ATOM 1389 OD1 ASP 180 17.886 70.010 -6.107 1.00 0.00 ATOM 1390 OD2 ASP 180 16.111 71.220 -5.681 1.00 0.00 ATOM 1391 O ASP 180 17.449 67.355 -2.161 1.00 0.00 ATOM 1392 C ASP 180 16.834 67.205 -3.210 1.00 0.00 ATOM 1393 N ALA 181 15.811 66.359 -3.298 1.00 0.00 ATOM 1394 CA ALA 181 15.550 65.490 -2.159 1.00 0.00 ATOM 1395 CB ALA 181 14.208 64.814 -2.265 1.00 0.00 ATOM 1396 O ALA 181 17.028 64.043 -0.949 1.00 0.00 ATOM 1397 C ALA 181 16.674 64.454 -2.054 1.00 0.00 ATOM 1398 N LEU 182 17.245 64.073 -3.194 1.00 0.00 ATOM 1399 CA LEU 182 18.233 63.037 -3.231 1.00 0.00 ATOM 1400 CB LEU 182 18.515 62.653 -4.689 1.00 0.00 ATOM 1401 CG LEU 182 18.959 61.244 -5.000 1.00 0.00 ATOM 1402 CD1 LEU 182 19.714 61.190 -6.317 1.00 0.00 ATOM 1403 CD2 LEU 182 19.767 60.644 -3.853 1.00 0.00 ATOM 1404 O LEU 182 20.164 63.017 -1.826 1.00 0.00 ATOM 1405 C LEU 182 19.478 63.640 -2.642 1.00 0.00 ATOM 1406 N ALA 183 19.729 64.893 -3.032 1.00 0.00 ATOM 1407 CA ALA 183 20.933 65.619 -2.594 1.00 0.00 ATOM 1408 CB ALA 183 21.088 67.030 -3.337 1.00 0.00 ATOM 1409 O ALA 183 21.962 65.602 -0.434 1.00 0.00 ATOM 1410 C ALA 183 20.928 65.761 -1.077 1.00 0.00 ATOM 1411 N GLU 184 19.756 66.021 -0.515 1.00 0.00 ATOM 1412 CA GLU 184 19.623 66.050 0.921 1.00 0.00 ATOM 1413 CB GLU 184 18.251 66.582 1.347 1.00 0.00 ATOM 1414 CG GLU 184 18.376 68.050 1.649 1.00 0.00 ATOM 1415 CD GLU 184 17.589 68.531 2.899 1.00 0.00 ATOM 1416 OE1 GLU 184 17.224 67.683 3.798 1.00 0.00 ATOM 1417 OE2 GLU 184 17.377 69.797 2.974 1.00 0.00 ATOM 1418 O GLU 184 20.661 64.658 2.539 1.00 0.00 ATOM 1419 C GLU 184 19.914 64.710 1.561 1.00 0.00 ATOM 1420 N ALA 185 19.324 63.663 1.003 1.00 0.00 ATOM 1421 CA ALA 185 19.460 62.335 1.509 1.00 0.00 ATOM 1422 CB ALA 185 18.701 61.368 0.599 1.00 0.00 ATOM 1423 O ALA 185 21.444 61.279 2.501 1.00 0.00 ATOM 1424 C ALA 185 20.921 61.929 1.547 1.00 0.00 ATOM 1425 N MET 186 21.585 62.310 0.469 1.00 0.00 ATOM 1426 CA MET 186 23.005 62.065 0.325 1.00 0.00 ATOM 1427 CB MET 186 23.399 62.419 -1.093 1.00 0.00 ATOM 1428 CG MET 186 24.793 62.155 -1.432 1.00 0.00 ATOM 1429 SD MET 186 25.283 60.288 -1.135 1.00 0.00 ATOM 1430 CE MET 186 27.146 60.403 -1.868 1.00 0.00 ATOM 1431 O MET 186 24.750 62.235 2.016 1.00 0.00 ATOM 1432 C MET 186 23.824 62.806 1.425 1.00 0.00 ATOM 1433 N LYS 187 23.473 64.062 1.720 1.00 0.00 ATOM 1434 CA LYS 187 24.089 64.745 2.859 1.00 0.00 ATOM 1435 CB LYS 187 23.681 66.198 2.896 1.00 0.00 ATOM 1436 CG LYS 187 24.012 66.989 4.101 1.00 0.00 ATOM 1437 CD LYS 187 24.179 68.465 3.605 1.00 0.00 ATOM 1438 CE LYS 187 24.090 69.543 4.684 1.00 0.00 ATOM 1439 NZ LYS 187 22.828 70.353 4.496 1.00 0.00 ATOM 1440 O LYS 187 24.551 63.949 5.086 1.00 0.00 ATOM 1441 C LYS 187 23.730 63.987 4.168 1.00 0.00 ATOM 1442 N LEU 188 22.563 63.344 4.252 1.00 0.00 ATOM 1443 CA LEU 188 22.228 62.805 5.523 1.00 0.00 ATOM 1444 CB LEU 188 20.716 62.715 5.703 1.00 0.00 ATOM 1445 CG LEU 188 19.863 63.962 6.001 1.00 0.00 ATOM 1446 CD1 LEU 188 18.544 63.794 5.323 1.00 0.00 ATOM 1447 CD2 LEU 188 19.680 64.348 7.496 1.00 0.00 ATOM 1448 O LEU 188 23.460 61.131 6.799 1.00 0.00 ATOM 1449 C LEU 188 22.908 61.433 5.709 1.00 0.00 ATOM 1450 N ALA 189 22.822 60.598 4.659 1.00 0.00 ATOM 1451 CA ALA 189 23.451 59.278 4.632 1.00 0.00 ATOM 1452 CB ALA 189 23.506 58.822 3.249 1.00 0.00 ATOM 1453 O ALA 189 25.254 58.499 6.093 1.00 0.00 ATOM 1454 C ALA 189 24.886 59.324 5.235 1.00 0.00 ATOM 1455 N LYS 190 25.675 60.283 4.768 1.00 0.00 ATOM 1456 CA LYS 190 27.006 60.514 5.236 1.00 0.00 ATOM 1457 CB LYS 190 27.720 61.555 4.316 1.00 0.00 ATOM 1458 CG LYS 190 27.978 61.138 2.837 1.00 0.00 ATOM 1459 CD LYS 190 28.632 59.673 2.661 1.00 0.00 ATOM 1460 CE LYS 190 27.663 58.583 2.079 1.00 0.00 ATOM 1461 NZ LYS 190 28.415 57.775 1.062 1.00 0.00 ATOM 1462 O LYS 190 28.193 61.280 7.146 1.00 0.00 ATOM 1463 C LYS 190 27.103 61.078 6.651 1.00 0.00 ATOM 1464 N SER 191 26.016 61.451 7.285 1.00 0.00 ATOM 1465 CA SER 191 26.193 62.108 8.564 1.00 0.00 ATOM 1466 CB SER 191 25.090 63.130 8.886 1.00 0.00 ATOM 1467 OG SER 191 23.871 62.445 9.203 1.00 0.00 ATOM 1468 O SER 191 25.792 59.895 9.367 1.00 0.00 ATOM 1469 C SER 191 26.247 61.015 9.591 1.00 0.00 ATOM 1470 N ARG 192 26.846 61.361 10.723 1.00 0.00 ATOM 1471 CA ARG 192 26.856 60.500 11.860 1.00 0.00 ATOM 1472 CB ARG 192 27.722 61.081 12.974 1.00 0.00 ATOM 1473 CG ARG 192 29.128 60.321 13.053 1.00 0.00 ATOM 1474 CD ARG 192 29.979 60.778 14.235 1.00 0.00 ATOM 1475 NE ARG 192 29.976 62.242 14.293 1.00 0.00 ATOM 1476 CZ ARG 192 30.695 62.976 15.155 1.00 0.00 ATOM 1477 NH1 ARG 192 31.483 62.374 16.051 1.00 0.00 ATOM 1478 NH2 ARG 192 30.650 64.316 15.119 1.00 0.00 ATOM 1479 O ARG 192 25.286 59.016 12.845 1.00 0.00 ATOM 1480 C ARG 192 25.439 60.096 12.288 1.00 0.00 ATOM 1481 N GLU 193 24.411 60.889 11.966 1.00 0.00 ATOM 1482 CA GLU 193 23.046 60.560 12.338 1.00 0.00 ATOM 1483 CB GLU 193 22.136 61.705 11.958 1.00 0.00 ATOM 1484 CG GLU 193 20.793 61.681 12.763 1.00 0.00 ATOM 1485 CD GLU 193 20.157 63.078 12.993 1.00 0.00 ATOM 1486 OE1 GLU 193 19.178 63.477 12.261 1.00 0.00 ATOM 1487 OE2 GLU 193 20.659 63.777 13.916 1.00 0.00 ATOM 1488 O GLU 193 21.643 58.540 12.385 1.00 0.00 ATOM 1489 C GLU 193 22.478 59.230 11.752 1.00 0.00 ATOM 1490 N ALA 194 22.932 58.876 10.552 1.00 0.00 ATOM 1491 CA ALA 194 22.536 57.665 9.915 1.00 0.00 ATOM 1492 CB ALA 194 22.596 57.848 8.423 1.00 0.00 ATOM 1493 O ALA 194 23.320 55.417 9.749 1.00 0.00 ATOM 1494 C ALA 194 23.428 56.507 10.334 1.00 0.00 ATOM 1495 N ARG 195 24.308 56.692 11.324 1.00 0.00 ATOM 1496 CA ARG 195 25.265 55.615 11.646 1.00 0.00 ATOM 1497 CB ARG 195 26.319 56.045 12.675 1.00 0.00 ATOM 1498 CG ARG 195 25.809 56.102 14.135 1.00 0.00 ATOM 1499 CD ARG 195 26.743 56.894 15.105 1.00 0.00 ATOM 1500 NE ARG 195 25.934 57.571 16.141 1.00 0.00 ATOM 1501 CZ ARG 195 25.767 58.897 16.281 1.00 0.00 ATOM 1502 NH1 ARG 195 26.373 59.771 15.491 1.00 0.00 ATOM 1503 NH2 ARG 195 25.001 59.370 17.247 1.00 0.00 ATOM 1504 O ARG 195 25.321 53.268 11.860 1.00 0.00 ATOM 1505 C ARG 195 24.675 54.262 12.026 1.00 0.00 ATOM 1506 N HIS 196 23.450 54.242 12.511 1.00 0.00 ATOM 1507 CA HIS 196 22.784 53.062 13.069 1.00 0.00 ATOM 1508 CB HIS 196 21.677 53.496 13.989 1.00 0.00 ATOM 1509 CG HIS 196 20.758 54.453 13.324 1.00 0.00 ATOM 1510 CD2 HIS 196 20.973 55.709 12.855 1.00 0.00 ATOM 1511 ND1 HIS 196 19.494 54.100 12.902 1.00 0.00 ATOM 1512 CE1 HIS 196 18.941 55.123 12.270 1.00 0.00 ATOM 1513 NE2 HIS 196 19.822 56.104 12.213 1.00 0.00 ATOM 1514 O HIS 196 21.502 51.276 12.302 1.00 0.00 ATOM 1515 C HIS 196 22.097 52.281 11.997 1.00 0.00 ATOM 1516 N LEU 197 22.129 52.751 10.752 1.00 0.00 ATOM 1517 CA LEU 197 21.442 52.092 9.647 1.00 0.00 ATOM 1518 CB LEU 197 21.028 53.096 8.613 1.00 0.00 ATOM 1519 CG LEU 197 19.884 54.020 9.077 1.00 0.00 ATOM 1520 CD1 LEU 197 19.802 55.245 8.162 1.00 0.00 ATOM 1521 CD2 LEU 197 18.520 53.307 9.157 1.00 0.00 ATOM 1522 O LEU 197 23.505 51.208 8.913 1.00 0.00 ATOM 1523 C LEU 197 22.291 51.062 8.961 1.00 0.00 ATOM 1524 N PRO 198 21.677 50.022 8.366 1.00 0.00 ATOM 1525 CA PRO 198 22.510 48.985 7.750 1.00 0.00 ATOM 1526 CB PRO 198 21.483 47.927 7.374 1.00 0.00 ATOM 1527 CG PRO 198 20.188 48.718 7.130 1.00 0.00 ATOM 1528 CD PRO 198 20.226 49.794 8.149 1.00 0.00 ATOM 1529 O PRO 198 22.446 50.132 5.671 1.00 0.00 ATOM 1530 C PRO 198 23.125 49.511 6.475 1.00 0.00 ATOM 1531 N GLY 199 24.387 49.258 6.244 1.00 0.00 ATOM 1532 CA GLY 199 25.001 49.706 4.996 1.00 0.00 ATOM 1533 O GLY 199 26.052 51.657 4.207 1.00 0.00 ATOM 1534 C GLY 199 25.582 51.076 5.182 1.00 0.00 ATOM 1535 N TRP 200 25.546 51.615 6.413 1.00 0.00 ATOM 1536 CA TRP 200 26.063 52.940 6.616 1.00 0.00 ATOM 1537 CB TRP 200 25.708 53.519 7.963 1.00 0.00 ATOM 1538 CG TRP 200 26.301 54.922 8.225 1.00 0.00 ATOM 1539 CD1 TRP 200 25.706 56.142 7.954 1.00 0.00 ATOM 1540 CD2 TRP 200 27.557 55.231 8.854 1.00 0.00 ATOM 1541 CE2 TRP 200 27.659 56.645 8.937 1.00 0.00 ATOM 1542 CE3 TRP 200 28.598 54.464 9.362 1.00 0.00 ATOM 1543 NE1 TRP 200 26.520 57.176 8.380 1.00 0.00 ATOM 1544 CZ2 TRP 200 28.785 57.294 9.501 1.00 0.00 ATOM 1545 CZ3 TRP 200 29.766 55.140 9.917 1.00 0.00 ATOM 1546 CH2 TRP 200 29.820 56.525 9.975 1.00 0.00 ATOM 1547 O TRP 200 28.346 52.142 6.826 1.00 0.00 ATOM 1548 C TRP 200 27.567 53.005 6.416 1.00 0.00 ATOM 1549 N CYS 201 27.938 54.162 5.908 1.00 0.00 ATOM 1550 CA CYS 201 29.025 54.332 5.016 1.00 0.00 ATOM 1551 CB CYS 201 28.435 54.054 3.626 1.00 0.00 ATOM 1552 SG CYS 201 29.685 53.666 2.401 1.00 0.00 ATOM 1553 O CYS 201 29.193 56.621 4.294 1.00 0.00 ATOM 1554 C CYS 201 29.490 55.809 5.139 1.00 0.00 ATOM 1555 N GLY 202 30.170 56.178 6.208 1.00 0.00 ATOM 1556 CA GLY 202 30.661 57.533 6.333 1.00 0.00 ATOM 1557 O GLY 202 32.460 56.611 7.634 1.00 0.00 ATOM 1558 C GLY 202 31.854 57.642 7.258 1.00 0.00 ATOM 1559 N VAL 203 32.200 58.879 7.650 1.00 0.00 ATOM 1560 CA VAL 203 33.338 59.061 8.557 1.00 0.00 ATOM 1561 CB VAL 203 34.006 60.476 8.396 1.00 0.00 ATOM 1562 CG1 VAL 203 35.338 60.596 9.194 1.00 0.00 ATOM 1563 CG2 VAL 203 34.241 60.778 6.902 1.00 0.00 ATOM 1564 O VAL 203 31.909 59.041 10.523 1.00 0.00 ATOM 1565 C VAL 203 32.988 58.682 10.012 1.00 0.00 ATOM 1566 N GLU 204 33.871 57.895 10.631 1.00 0.00 ATOM 1567 CA GLU 204 33.760 57.560 12.054 1.00 0.00 ATOM 1568 CB GLU 204 34.126 56.099 12.307 1.00 0.00 ATOM 1569 CG GLU 204 33.529 55.039 11.347 1.00 0.00 ATOM 1570 CD GLU 204 34.330 53.713 11.379 1.00 0.00 ATOM 1571 OE1 GLU 204 35.383 53.611 12.100 1.00 0.00 ATOM 1572 OE2 GLU 204 33.924 52.773 10.662 1.00 0.00 ATOM 1573 O GLU 204 34.462 59.619 13.058 1.00 0.00 ATOM 1574 C GLU 204 34.694 58.432 12.893 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1298009423.pdb -s /var/tmp/to_scwrl_1298009423.seq -o /var/tmp/from_scwrl_1298009423.pdb > /var/tmp/scwrl_1298009423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1298009423.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 201 # 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 = -25.128 # GDT_score(maxd=8.000,maxw=2.900)= -24.791 # GDT_score(maxd=8.000,maxw=3.200)= -23.626 # GDT_score(maxd=8.000,maxw=3.500)= -22.571 # GDT_score(maxd=10.000,maxw=3.800)= -24.334 # GDT_score(maxd=10.000,maxw=4.000)= -23.678 # GDT_score(maxd=10.000,maxw=4.200)= -23.028 # GDT_score(maxd=12.000,maxw=4.300)= -24.802 # GDT_score(maxd=12.000,maxw=4.500)= -24.128 # GDT_score(maxd=12.000,maxw=4.700)= -23.471 # GDT_score(maxd=14.000,maxw=5.200)= -23.609 # GDT_score(maxd=14.000,maxw=5.500)= -22.662 # command:# request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_380286911.pdb -s /var/tmp/to_scwrl_380286911.seq -o /var/tmp/from_scwrl_380286911.pdb > /var/tmp/scwrl_380286911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_380286911.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 200 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model3.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -27.041 # GDT_score(maxd=8.000,maxw=2.900)= -25.691 # GDT_score(maxd=8.000,maxw=3.200)= -24.465 # GDT_score(maxd=8.000,maxw=3.500)= -23.373 # GDT_score(maxd=10.000,maxw=3.800)= -26.004 # GDT_score(maxd=10.000,maxw=4.000)= -25.245 # GDT_score(maxd=10.000,maxw=4.200)= -24.504 # GDT_score(maxd=12.000,maxw=4.300)= -27.300 # GDT_score(maxd=12.000,maxw=4.500)= -26.509 # GDT_score(maxd=12.000,maxw=4.700)= -25.751 # GDT_score(maxd=14.000,maxw=5.200)= -26.474 # GDT_score(maxd=14.000,maxw=5.500)= -25.334 # command:# request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_585403037.pdb -s /var/tmp/to_scwrl_585403037.seq -o /var/tmp/from_scwrl_585403037.pdb > /var/tmp/scwrl_585403037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_585403037.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model4.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -25.638 # GDT_score(maxd=8.000,maxw=2.900)= -25.607 # GDT_score(maxd=8.000,maxw=3.200)= -24.402 # GDT_score(maxd=8.000,maxw=3.500)= -23.366 # GDT_score(maxd=10.000,maxw=3.800)= -25.362 # GDT_score(maxd=10.000,maxw=4.000)= -24.672 # GDT_score(maxd=10.000,maxw=4.200)= -23.995 # GDT_score(maxd=12.000,maxw=4.300)= -26.164 # GDT_score(maxd=12.000,maxw=4.500)= -25.459 # GDT_score(maxd=12.000,maxw=4.700)= -24.775 # GDT_score(maxd=14.000,maxw=5.200)= -25.261 # GDT_score(maxd=14.000,maxw=5.500)= -24.272 # command:# request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1188258888.pdb -s /var/tmp/to_scwrl_1188258888.seq -o /var/tmp/from_scwrl_1188258888.pdb > /var/tmp/scwrl_1188258888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1188258888.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -25.255 # GDT_score(maxd=8.000,maxw=2.900)= -25.450 # GDT_score(maxd=8.000,maxw=3.200)= -24.253 # GDT_score(maxd=8.000,maxw=3.500)= -23.193 # GDT_score(maxd=10.000,maxw=3.800)= -24.963 # GDT_score(maxd=10.000,maxw=4.000)= -24.265 # GDT_score(maxd=10.000,maxw=4.200)= -23.604 # GDT_score(maxd=12.000,maxw=4.300)= -25.354 # GDT_score(maxd=12.000,maxw=4.500)= -24.680 # GDT_score(maxd=12.000,maxw=4.700)= -24.025 # GDT_score(maxd=14.000,maxw=5.200)= -24.077 # GDT_score(maxd=14.000,maxw=5.500)= -23.128 # command:# request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_389617259.pdb -s /var/tmp/to_scwrl_389617259.seq -o /var/tmp/from_scwrl_389617259.pdb > /var/tmp/scwrl_389617259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_389617259.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 T0347.try1-opt2.pdb looking for model 1 # Found a chain break before 197 # 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 = -25.765 # GDT_score(maxd=8.000,maxw=2.900)= -25.958 # GDT_score(maxd=8.000,maxw=3.200)= -24.720 # GDT_score(maxd=8.000,maxw=3.500)= -23.662 # GDT_score(maxd=10.000,maxw=3.800)= -25.499 # GDT_score(maxd=10.000,maxw=4.000)= -24.816 # GDT_score(maxd=10.000,maxw=4.200)= -24.140 # GDT_score(maxd=12.000,maxw=4.300)= -26.239 # GDT_score(maxd=12.000,maxw=4.500)= -25.533 # GDT_score(maxd=12.000,maxw=4.700)= -24.845 # GDT_score(maxd=14.000,maxw=5.200)= -25.364 # GDT_score(maxd=14.000,maxw=5.500)= -24.389 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0347.try1-real.pdb for output Error: Couldn't open file T0347.try1-real.pdb for output superimposing iter= 0 total_weight= 2358 rmsd (weighted)= 17.7442 (unweighted)= 23.0462 superimposing iter= 1 total_weight= 4468.31 rmsd (weighted)= 10.0343 (unweighted)= 22.9819 superimposing iter= 2 total_weight= 2256.52 rmsd (weighted)= 8.24407 (unweighted)= 23.033 superimposing iter= 3 total_weight= 1783.21 rmsd (weighted)= 7.66566 (unweighted)= 23.0893 superimposing iter= 4 total_weight= 1668.35 rmsd (weighted)= 7.37515 (unweighted)= 23.1541 superimposing iter= 5 total_weight= 1642.36 rmsd (weighted)= 7.14929 (unweighted)= 23.2372 EXPDTA T0347.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0347.try1-opt2.pdb ATOM 1 N MET A 1 10.457 36.279 15.032 1.00 0.00 ATOM 2 CA MET A 1 10.933 37.580 14.479 1.00 0.00 ATOM 3 CB MET A 1 12.386 37.924 14.727 1.00 0.00 ATOM 4 CG MET A 1 12.672 38.774 15.993 1.00 0.00 ATOM 5 SD MET A 1 12.101 38.014 17.523 1.00 0.00 ATOM 6 CE MET A 1 12.897 36.499 17.323 1.00 0.00 ATOM 7 O MET A 1 10.638 36.594 12.311 1.00 0.00 ATOM 8 C MET A 1 10.743 37.630 12.967 1.00 0.00 ATOM 9 N THR A 2 10.699 38.845 12.427 1.00 0.00 ATOM 10 CA THR A 2 10.523 39.033 10.991 1.00 0.00 ATOM 11 CB THR A 2 10.457 40.527 10.622 1.00 0.00 ATOM 12 CG2 THR A 2 10.315 40.697 9.118 1.00 0.00 ATOM 13 OG1 THR A 2 9.328 41.131 11.266 1.00 0.00 ATOM 14 O THR A 2 11.438 37.781 9.172 1.00 0.00 ATOM 15 C THR A 2 11.677 38.413 10.180 1.00 0.00 ATOM 16 N HIS A 3 12.910 38.651 10.583 1.00 0.00 ATOM 17 CA HIS A 3 14.064 38.124 9.862 1.00 0.00 ATOM 18 CB HIS A 3 15.365 38.582 10.526 1.00 0.00 ATOM 19 CG HIS A 3 15.627 37.936 11.851 1.00 0.00 ATOM 20 CD2 HIS A 3 15.241 38.200 13.229 1.00 0.00 ATOM 21 ND1 HIS A 3 16.405 36.806 11.988 1.00 0.00 ATOM 22 CE1 HIS A 3 16.457 36.464 13.287 1.00 0.00 ATOM 23 NE2 HIS A 3 15.759 37.296 14.038 1.00 0.00 ATOM 24 O HIS A 3 14.734 36.007 8.951 1.00 0.00 ATOM 25 C HIS A 3 14.089 36.598 9.819 1.00 0.00 ATOM 26 N ILE A 4 13.298 35.980 10.791 1.00 0.00 ATOM 27 CA ILE A 4 13.265 34.523 10.882 1.00 0.00 ATOM 28 CB ILE A 4 12.363 34.051 12.038 1.00 0.00 ATOM 29 CG1 ILE A 4 12.984 34.423 13.385 1.00 0.00 ATOM 30 CG2 ILE A 4 12.182 32.541 11.989 1.00 0.00 ATOM 31 CD1 ILE A 4 12.050 34.232 14.561 1.00 0.00 ATOM 32 O ILE A 4 13.143 32.756 9.262 1.00 0.00 ATOM 33 C ILE A 4 12.733 33.864 9.612 1.00 0.00 ATOM 34 N TYR A 5 11.823 34.556 8.937 1.00 0.00 ATOM 35 CA TYR A 5 11.231 33.997 7.701 1.00 0.00 ATOM 36 CB TYR A 5 10.328 35.022 7.017 1.00 0.00 ATOM 37 CG TYR A 5 9.230 35.551 7.913 1.00 0.00 ATOM 38 CD1 TYR A 5 9.501 36.549 8.842 1.00 0.00 ATOM 39 CD2 TYR A 5 7.932 35.059 7.835 1.00 0.00 ATOM 40 CE1 TYR A 5 8.514 37.030 9.682 1.00 0.00 ATOM 41 CE2 TYR A 5 6.936 35.543 8.667 1.00 0.00 ATOM 42 CZ TYR A 5 7.237 36.522 9.581 1.00 0.00 ATOM 43 OH TYR A 5 6.268 37.023 10.426 1.00 0.00 ATOM 44 O TYR A 5 13.227 34.644 6.509 1.00 0.00 ATOM 45 C TYR A 5 12.287 33.850 6.605 1.00 0.00 ATOM 46 N GLU A 6 12.061 32.855 5.758 1.00 0.00 ATOM 47 CA GLU A 6 12.943 32.597 4.627 1.00 0.00 ATOM 48 CB GLU A 6 13.059 31.094 4.370 1.00 0.00 ATOM 49 CG GLU A 6 14.009 30.729 3.242 1.00 0.00 ATOM 50 CD GLU A 6 14.100 29.232 3.019 1.00 0.00 ATOM 51 OE1 GLU A 6 13.386 28.481 3.716 1.00 0.00 ATOM 52 OE2 GLU A 6 14.886 28.808 2.145 1.00 0.00 ATOM 53 O GLU A 6 11.445 32.746 2.763 1.00 0.00 ATOM 54 C GLU A 6 12.473 33.163 3.290 1.00 0.00 ATOM 55 N PRO A 7 13.183 34.196 2.800 1.00 0.00 ATOM 56 CA PRO A 7 12.825 34.788 1.512 1.00 0.00 ATOM 57 CB PRO A 7 13.098 36.279 1.724 1.00 0.00 ATOM 58 CG PRO A 7 14.213 36.276 2.731 1.00 0.00 ATOM 59 CD PRO A 7 13.814 35.187 3.694 1.00 0.00 ATOM 60 O PRO A 7 14.899 34.029 0.532 1.00 0.00 ATOM 61 C PRO A 7 13.695 34.298 0.364 1.00 0.00 ATOM 62 N ARG A 8 13.089 34.304 -0.805 1.00 0.00 ATOM 63 CA ARG A 8 13.782 33.962 -2.055 1.00 0.00 ATOM 64 CB ARG A 8 13.951 32.430 -2.084 1.00 0.00 ATOM 65 CG ARG A 8 12.614 31.696 -2.260 1.00 0.00 ATOM 66 CD ARG A 8 12.708 30.220 -1.917 1.00 0.00 ATOM 67 NE ARG A 8 11.472 29.501 -2.227 1.00 0.00 ATOM 68 CZ ARG A 8 10.370 29.516 -1.480 1.00 0.00 ATOM 69 NH1 ARG A 8 10.323 30.214 -0.355 1.00 0.00 ATOM 70 NH2 ARG A 8 9.304 28.824 -1.861 1.00 0.00 ATOM 71 O ARG A 8 11.926 34.851 -3.296 1.00 0.00 ATOM 72 C ARG A 8 13.163 34.711 -3.227 1.00 0.00 ATOM 73 N LEU A 9 14.037 35.176 -4.120 1.00 0.00 ATOM 74 CA LEU A 9 13.589 35.897 -5.323 1.00 0.00 ATOM 75 CB LEU A 9 14.687 36.836 -5.826 1.00 0.00 ATOM 76 CG LEU A 9 15.130 37.940 -4.864 1.00 0.00 ATOM 77 CD1 LEU A 9 16.284 38.736 -5.453 1.00 0.00 ATOM 78 CD2 LEU A 9 13.983 38.901 -4.586 1.00 0.00 ATOM 79 O LEU A 9 14.038 34.012 -6.763 1.00 0.00 ATOM 80 C LEU A 9 13.243 34.931 -6.443 1.00 0.00 ATOM 81 N SER A 10 12.068 35.133 -7.049 1.00 0.00 ATOM 82 CA SER A 10 11.585 34.291 -8.154 1.00 0.00 ATOM 83 CB SER A 10 10.369 33.499 -7.635 1.00 0.00 ATOM 84 OG SER A 10 9.719 32.941 -8.767 1.00 0.00 ATOM 85 O SER A 10 10.334 36.252 -8.755 1.00 0.00 ATOM 86 C SER A 10 10.900 35.213 -9.150 1.00 0.00 ATOM 87 N ARG A 11 10.936 34.805 -10.423 1.00 0.00 ATOM 88 CA ARG A 11 10.086 35.394 -11.438 1.00 0.00 ATOM 89 CB ARG A 11 10.550 34.909 -12.796 1.00 0.00 ATOM 90 CG ARG A 11 11.602 35.872 -13.350 1.00 0.00 ATOM 91 CD ARG A 11 11.961 35.531 -14.786 1.00 0.00 ATOM 92 NE ARG A 11 12.501 34.179 -14.899 1.00 0.00 ATOM 93 CZ ARG A 11 12.724 33.548 -16.048 1.00 0.00 ATOM 94 NH1 ARG A 11 12.452 34.143 -17.210 1.00 0.00 ATOM 95 NH2 ARG A 11 13.215 32.313 -16.034 1.00 0.00 ATOM 96 O ARG A 11 8.517 33.609 -11.722 1.00 0.00 ATOM 97 C ARG A 11 8.703 34.766 -11.346 1.00 0.00 ATOM 98 N ILE A 12 7.727 35.510 -10.826 1.00 0.00 ATOM 99 CA ILE A 12 6.387 35.000 -10.533 1.00 0.00 ATOM 100 CB ILE A 12 5.913 35.420 -9.129 1.00 0.00 ATOM 101 CG1 ILE A 12 6.858 34.862 -8.060 1.00 0.00 ATOM 102 CG2 ILE A 12 4.514 34.890 -8.858 1.00 0.00 ATOM 103 CD1 ILE A 12 6.608 35.419 -6.676 1.00 0.00 ATOM 104 O ILE A 12 5.445 36.765 -11.897 1.00 0.00 ATOM 105 C ILE A 12 5.385 35.545 -11.563 1.00 0.00 ATOM 106 N ALA A 13 4.461 34.679 -12.053 1.00 0.00 ATOM 107 CA ALA A 13 3.406 35.216 -12.951 1.00 0.00 ATOM 108 CB ALA A 13 2.416 34.123 -13.323 1.00 0.00 ATOM 109 O ALA A 13 2.248 36.191 -11.089 1.00 0.00 ATOM 110 C ALA A 13 2.646 36.351 -12.268 1.00 0.00 ATOM 111 N ILE A 14 2.452 37.471 -12.959 1.00 0.00 ATOM 112 CA ILE A 14 1.597 38.537 -12.389 1.00 0.00 ATOM 113 CB ILE A 14 1.285 39.628 -13.431 1.00 0.00 ATOM 114 CG1 ILE A 14 2.552 40.412 -13.776 1.00 0.00 ATOM 115 CG2 ILE A 14 0.247 40.601 -12.889 1.00 0.00 ATOM 116 CD1 ILE A 14 2.400 41.320 -14.978 1.00 0.00 ATOM 117 O ILE A 14 -0.346 38.376 -10.915 1.00 0.00 ATOM 118 C ILE A 14 0.245 37.999 -11.937 1.00 0.00 ATOM 119 N ASP A 15 -0.265 37.078 -12.791 1.00 0.00 ATOM 120 CA ASP A 15 -1.594 36.498 -12.521 1.00 0.00 ATOM 121 CB ASP A 15 -1.947 35.515 -13.639 1.00 0.00 ATOM 122 CG ASP A 15 -2.289 36.212 -14.941 1.00 0.00 ATOM 123 OD1 ASP A 15 -2.476 37.447 -14.924 1.00 0.00 ATOM 124 OD2 ASP A 15 -2.372 35.524 -15.981 1.00 0.00 ATOM 125 O ASP A 15 -2.852 35.546 -10.743 1.00 0.00 ATOM 126 C ASP A 15 -1.729 35.715 -11.223 1.00 0.00 ATOM 127 N LYS A 16 -0.619 35.266 -10.630 1.00 0.00 ATOM 128 CA LYS A 16 -0.737 34.415 -9.436 1.00 0.00 ATOM 129 CB LYS A 16 0.514 33.551 -9.267 1.00 0.00 ATOM 130 CG LYS A 16 0.709 32.519 -10.366 1.00 0.00 ATOM 131 CD LYS A 16 1.972 31.704 -10.139 1.00 0.00 ATOM 132 CE LYS A 16 2.164 30.667 -11.234 1.00 0.00 ATOM 133 NZ LYS A 16 3.417 29.885 -11.046 1.00 0.00 ATOM 134 O LYS A 16 -0.878 34.759 -7.089 1.00 0.00 ATOM 135 C LYS A 16 -0.788 35.290 -8.186 1.00 0.00 ATOM 136 N LEU A 17 -0.651 36.619 -8.355 1.00 0.00 ATOM 137 CA LEU A 17 -0.593 37.471 -7.153 1.00 0.00 ATOM 138 CB LEU A 17 0.334 38.661 -7.411 1.00 0.00 ATOM 139 CG LEU A 17 1.789 38.326 -7.743 1.00 0.00 ATOM 140 CD1 LEU A 17 2.586 39.596 -8.009 1.00 0.00 ATOM 141 CD2 LEU A 17 2.449 37.586 -6.589 1.00 0.00 ATOM 142 O LEU A 17 -2.877 38.061 -7.634 1.00 0.00 ATOM 143 C LEU A 17 -1.949 38.062 -6.810 1.00 0.00 ATOM 144 N ARG A 18 -2.026 38.614 -5.603 1.00 0.00 ATOM 145 CA ARG A 18 -3.222 39.326 -5.180 1.00 0.00 ATOM 146 CB ARG A 18 -2.898 40.156 -3.973 1.00 0.00 ATOM 147 CG ARG A 18 -4.022 41.115 -3.606 1.00 0.00 ATOM 148 CD ARG A 18 -3.774 41.788 -2.264 1.00 0.00 ATOM 149 NE ARG A 18 -2.754 42.831 -2.334 1.00 0.00 ATOM 150 CZ ARG A 18 -3.018 44.127 -2.460 1.00 0.00 ATOM 151 NH1 ARG A 18 -4.273 44.546 -2.538 1.00 0.00 ATOM 152 NH2 ARG A 18 -2.031 45.013 -2.472 1.00 0.00 ATOM 153 O ARG A 18 -2.314 40.952 -6.726 1.00 0.00 ATOM 154 C ARG A 18 -3.310 40.525 -6.134 1.00 0.00 ATOM 155 N PRO A 19 -4.500 41.100 -6.307 1.00 0.00 ATOM 156 CA PRO A 19 -4.679 42.228 -7.194 1.00 0.00 ATOM 157 CB PRO A 19 -6.189 42.277 -7.430 1.00 0.00 ATOM 158 CG PRO A 19 -6.782 41.721 -6.179 1.00 0.00 ATOM 159 CD PRO A 19 -5.845 40.641 -5.720 1.00 0.00 ATOM 160 O PRO A 19 -4.229 43.792 -5.434 1.00 0.00 ATOM 161 C PRO A 19 -4.201 43.556 -6.637 1.00 0.00 ATOM 162 N THR A 20 -3.817 44.437 -7.560 1.00 0.00 ATOM 163 CA THR A 20 -3.567 45.812 -7.195 1.00 0.00 ATOM 164 CB THR A 20 -2.939 46.599 -8.359 1.00 0.00 ATOM 165 CG2 THR A 20 -1.595 45.999 -8.744 1.00 0.00 ATOM 166 OG1 THR A 20 -3.809 46.554 -9.498 1.00 0.00 ATOM 167 O THR A 20 -5.965 46.142 -7.368 1.00 0.00 ATOM 168 C THR A 20 -4.915 46.463 -6.817 1.00 0.00 ATOM 169 N GLN A 21 -4.916 47.348 -5.834 1.00 0.00 ATOM 170 CA GLN A 21 -6.136 48.031 -5.392 1.00 0.00 ATOM 171 CB GLN A 21 -5.818 49.027 -4.276 1.00 0.00 ATOM 172 CG GLN A 21 -5.363 48.381 -2.978 1.00 0.00 ATOM 173 CD GLN A 21 -4.985 49.399 -1.921 1.00 0.00 ATOM 174 OE1 GLN A 21 -5.014 50.604 -2.167 1.00 0.00 ATOM 175 NE2 GLN A 21 -4.627 48.915 -0.736 1.00 0.00 ATOM 176 O GLN A 21 -6.188 49.544 -7.261 1.00 0.00 ATOM 177 C GLN A 21 -6.826 48.816 -6.499 1.00 0.00 ATOM 178 N ILE A 22 -4.854 50.291 -5.529 1.00 0.00 ATOM 179 CA ILE A 22 -3.469 50.759 -5.558 1.00 0.00 ATOM 180 CB ILE A 22 -2.623 50.087 -6.674 1.00 0.00 ATOM 181 CG1 ILE A 22 -3.282 50.289 -8.036 1.00 0.00 ATOM 182 CG2 ILE A 22 -2.421 48.613 -6.350 1.00 0.00 ATOM 183 CD1 ILE A 22 -2.417 49.814 -9.202 1.00 0.00 ATOM 184 O ILE A 22 -4.050 52.843 -6.556 1.00 0.00 ATOM 185 C ILE A 22 -3.377 52.269 -5.707 1.00 0.00 ATOM 186 N ALA A 23 -2.593 52.897 -4.825 1.00 0.00 ATOM 187 CA ALA A 23 -2.349 54.339 -4.889 1.00 0.00 ATOM 188 CB ALA A 23 -2.031 54.881 -3.504 1.00 0.00 ATOM 189 O ALA A 23 -0.077 53.899 -5.638 1.00 0.00 ATOM 190 C ALA A 23 -1.138 54.496 -5.857 1.00 0.00 ATOM 191 N VAL A 24 -1.305 55.252 -6.934 1.00 0.00 ATOM 192 CA VAL A 24 -0.244 55.333 -7.963 1.00 0.00 ATOM 193 CB VAL A 24 -0.617 54.529 -9.223 1.00 0.00 ATOM 194 CG1 VAL A 24 0.472 54.656 -10.277 1.00 0.00 ATOM 195 CG2 VAL A 24 -0.788 53.056 -8.882 1.00 0.00 ATOM 196 O VAL A 24 -0.965 57.459 -8.763 1.00 0.00 ATOM 197 C VAL A 24 -0.014 56.766 -8.383 1.00 0.00 ATOM 198 N GLY A 25 1.254 57.159 -8.365 1.00 0.00 ATOM 199 CA GLY A 25 1.711 58.423 -8.974 1.00 0.00 ATOM 200 O GLY A 25 3.030 57.373 -10.639 1.00 0.00 ATOM 201 C GLY A 25 2.100 58.090 -10.406 1.00 0.00 ATOM 202 N PHE A 26 1.140 58.442 -11.415 1.00 0.00 ATOM 203 CA PHE A 26 1.438 58.182 -12.789 1.00 0.00 ATOM 204 CB PHE A 26 0.526 58.976 -13.726 1.00 0.00 ATOM 205 CG PHE A 26 0.708 58.638 -15.179 1.00 0.00 ATOM 206 CD1 PHE A 26 0.098 57.523 -15.727 1.00 0.00 ATOM 207 CD2 PHE A 26 1.487 59.436 -15.996 1.00 0.00 ATOM 208 CE1 PHE A 26 0.265 57.213 -17.062 1.00 0.00 ATOM 209 CE2 PHE A 26 1.655 59.126 -17.333 1.00 0.00 ATOM 210 CZ PHE A 26 1.048 58.020 -17.866 1.00 0.00 ATOM 211 O PHE A 26 3.414 57.584 -14.020 1.00 0.00 ATOM 212 C PHE A 26 2.890 58.406 -13.267 1.00 0.00 ATOM 213 N ARG A 27 3.522 59.478 -12.795 1.00 0.00 ATOM 214 CA ARG A 27 4.920 59.794 -13.226 1.00 0.00 ATOM 215 CB ARG A 27 5.365 61.143 -12.659 1.00 0.00 ATOM 216 CG ARG A 27 4.679 62.341 -13.296 1.00 0.00 ATOM 217 CD ARG A 27 5.108 63.641 -12.634 1.00 0.00 ATOM 218 NE ARG A 27 4.453 64.801 -13.231 1.00 0.00 ATOM 219 CZ ARG A 27 4.593 66.046 -12.789 1.00 0.00 ATOM 220 NH1 ARG A 27 3.958 67.039 -13.396 1.00 0.00 ATOM 221 NH2 ARG A 27 5.366 66.296 -11.741 1.00 0.00 ATOM 222 O ARG A 27 6.833 58.314 -13.448 1.00 0.00 ATOM 223 C ARG A 27 5.889 58.707 -12.723 1.00 0.00 ATOM 224 N GLU A 28 5.623 58.217 -11.505 1.00 0.00 ATOM 225 CA GLU A 28 6.430 57.154 -10.907 1.00 0.00 ATOM 226 CB GLU A 28 6.016 56.921 -9.453 1.00 0.00 ATOM 227 CG GLU A 28 6.400 58.049 -8.509 1.00 0.00 ATOM 228 CD GLU A 28 7.894 58.312 -8.494 1.00 0.00 ATOM 229 OE1 GLU A 28 8.664 57.349 -8.290 1.00 0.00 ATOM 230 OE2 GLU A 28 8.293 59.479 -8.685 1.00 0.00 ATOM 231 O GLU A 28 7.272 55.139 -11.892 1.00 0.00 ATOM 232 C GLU A 28 6.271 55.852 -11.646 1.00 0.00 ATOM 233 N VAL A 29 5.042 55.520 -12.039 1.00 0.00 ATOM 234 CA VAL A 29 4.861 54.327 -12.883 1.00 0.00 ATOM 235 CB VAL A 29 3.391 54.104 -13.235 1.00 0.00 ATOM 236 CG1 VAL A 29 3.244 53.062 -14.375 1.00 0.00 ATOM 237 CG2 VAL A 29 2.626 53.660 -11.991 1.00 0.00 ATOM 238 O VAL A 29 6.386 53.440 -14.532 1.00 0.00 ATOM 239 C VAL A 29 5.719 54.414 -14.147 1.00 0.00 ATOM 240 N GLU A 30 5.667 55.584 -14.803 1.00 0.00 ATOM 241 CA GLU A 30 6.410 55.790 -16.044 1.00 0.00 ATOM 242 CB GLU A 30 6.136 57.167 -16.656 1.00 0.00 ATOM 243 CG GLU A 30 6.802 57.390 -18.004 1.00 0.00 ATOM 244 CD GLU A 30 6.461 58.740 -18.605 1.00 0.00 ATOM 245 OE1 GLU A 30 5.689 59.492 -17.976 1.00 0.00 ATOM 246 OE2 GLU A 30 6.966 59.045 -19.705 1.00 0.00 ATOM 247 O GLU A 30 8.618 54.989 -16.611 1.00 0.00 ATOM 248 C GLU A 30 7.926 55.654 -15.815 1.00 0.00 ATOM 249 N LEU A 31 8.408 56.263 -14.739 1.00 0.00 ATOM 250 CA LEU A 31 9.826 56.173 -14.350 1.00 0.00 ATOM 251 CB LEU A 31 10.039 56.792 -13.009 1.00 0.00 ATOM 252 CG LEU A 31 11.462 56.606 -12.493 1.00 0.00 ATOM 253 CD1 LEU A 31 12.411 57.472 -13.300 1.00 0.00 ATOM 254 CD2 LEU A 31 11.618 57.065 -11.041 1.00 0.00 ATOM 255 O LEU A 31 11.245 54.306 -14.764 1.00 0.00 ATOM 256 C LEU A 31 10.204 54.711 -14.251 1.00 0.00 ATOM 257 N LYS A 32 9.330 53.867 -13.647 1.00 0.00 ATOM 258 CA LYS A 32 9.617 52.420 -13.548 1.00 0.00 ATOM 259 CB LYS A 32 8.564 51.771 -12.647 1.00 0.00 ATOM 260 CG LYS A 32 8.774 50.283 -12.419 1.00 0.00 ATOM 261 CD LYS A 32 10.044 50.019 -11.626 1.00 0.00 ATOM 262 CE LYS A 32 10.194 48.543 -11.297 1.00 0.00 ATOM 263 NZ LYS A 32 11.440 48.270 -10.529 1.00 0.00 ATOM 264 O LYS A 32 10.397 50.818 -15.143 1.00 0.00 ATOM 265 C LYS A 32 9.567 51.695 -14.896 1.00 0.00 ATOM 266 N ARG A 33 8.643 52.078 -15.797 1.00 0.00 ATOM 267 CA ARG A 33 8.546 51.404 -17.097 1.00 0.00 ATOM 268 CB ARG A 33 7.349 51.965 -17.893 1.00 0.00 ATOM 269 CG ARG A 33 7.085 51.117 -19.134 1.00 0.00 ATOM 270 CD ARG A 33 6.164 51.810 -20.141 1.00 0.00 ATOM 271 NE ARG A 33 4.889 52.288 -19.588 1.00 0.00 ATOM 272 CZ ARG A 33 4.009 53.006 -20.269 1.00 0.00 ATOM 273 NH1 ARG A 33 4.174 53.382 -21.514 1.00 0.00 ATOM 274 NH2 ARG A 33 2.869 53.396 -19.697 1.00 0.00 ATOM 275 O ARG A 33 10.440 50.658 -18.410 1.00 0.00 ATOM 276 C ARG A 33 9.893 51.612 -17.867 1.00 0.00 ATOM 277 N LYS A 34 10.411 52.836 -17.845 1.00 0.00 ATOM 278 CA LYS A 34 11.673 53.195 -18.512 1.00 0.00 ATOM 279 CB LYS A 34 11.964 54.687 -18.339 1.00 0.00 ATOM 280 CG LYS A 34 13.237 55.155 -19.027 1.00 0.00 ATOM 281 CD LYS A 34 13.428 56.655 -18.876 1.00 0.00 ATOM 282 CE LYS A 34 14.724 57.115 -19.522 1.00 0.00 ATOM 283 NZ LYS A 34 14.936 58.580 -19.360 1.00 0.00 ATOM 284 O LYS A 34 13.640 51.802 -18.606 1.00 0.00 ATOM 285 C LYS A 34 12.829 52.398 -17.894 1.00 0.00 ATOM 286 N GLU A 35 12.918 52.366 -16.553 1.00 0.00 ATOM 287 CA GLU A 35 13.971 51.633 -15.859 1.00 0.00 ATOM 288 CB GLU A 35 13.344 51.477 -14.307 1.00 0.00 ATOM 289 CG GLU A 35 14.300 51.111 -13.194 1.00 0.00 ATOM 290 CD GLU A 35 13.570 50.659 -11.910 1.00 0.00 ATOM 291 OE1 GLU A 35 14.130 49.756 -11.237 1.00 0.00 ATOM 292 OE2 GLU A 35 12.459 51.194 -11.601 1.00 0.00 ATOM 293 O GLU A 35 14.939 49.487 -16.310 1.00 0.00 ATOM 294 C GLU A 35 13.906 50.144 -16.188 1.00 0.00 ATOM 295 N TRP A 36 12.669 49.622 -16.311 1.00 0.00 ATOM 296 CA TRP A 36 12.484 48.215 -16.629 1.00 0.00 ATOM 297 CB TRP A 36 11.012 47.823 -16.486 1.00 0.00 ATOM 298 CG TRP A 36 10.786 46.341 -16.456 1.00 0.00 ATOM 299 CD1 TRP A 36 10.155 45.589 -17.404 1.00 0.00 ATOM 300 CD2 TRP A 36 11.191 45.431 -15.427 1.00 0.00 ATOM 301 CE2 TRP A 36 10.771 44.146 -15.818 1.00 0.00 ATOM 302 CE3 TRP A 36 11.867 45.579 -14.212 1.00 0.00 ATOM 303 NE1 TRP A 36 10.140 44.268 -17.031 1.00 0.00 ATOM 304 CZ2 TRP A 36 11.004 43.014 -15.038 1.00 0.00 ATOM 305 CZ3 TRP A 36 12.098 44.454 -13.443 1.00 0.00 ATOM 306 CH2 TRP A 36 11.669 43.187 -13.856 1.00 0.00 ATOM 307 O TRP A 36 13.518 46.802 -18.296 1.00 0.00 ATOM 308 C TRP A 36 13.050 47.903 -18.032 1.00 0.00 ATOM 309 N ARG A 37 13.037 48.877 -18.844 1.00 0.00 ATOM 310 CA ARG A 37 13.523 48.649 -20.205 1.00 0.00 ATOM 311 CB ARG A 37 13.504 49.975 -20.969 1.00 0.00 ATOM 312 CG ARG A 37 12.109 50.511 -21.243 1.00 0.00 ATOM 313 CD ARG A 37 12.164 51.867 -21.930 1.00 0.00 ATOM 314 NE ARG A 37 10.830 52.402 -22.192 1.00 0.00 ATOM 315 CZ ARG A 37 10.595 53.622 -22.664 1.00 0.00 ATOM 316 NH1 ARG A 37 9.348 54.024 -22.872 1.00 0.00 ATOM 317 NH2 ARG A 37 11.607 54.439 -22.925 1.00 0.00 ATOM 318 O ARG A 37 15.282 47.268 -21.123 1.00 0.00 ATOM 319 C ARG A 37 14.954 48.075 -20.265 1.00 0.00 ATOM 320 N GLU A 38 15.750 48.606 -19.160 1.00 0.00 ATOM 321 CA GLU A 38 17.153 48.189 -19.129 1.00 0.00 ATOM 322 CB GLU A 38 18.074 49.408 -19.054 1.00 0.00 ATOM 323 CG GLU A 38 18.025 50.299 -20.283 1.00 0.00 ATOM 324 CD GLU A 38 18.917 51.518 -20.155 1.00 0.00 ATOM 325 OE1 GLU A 38 19.509 51.710 -19.073 1.00 0.00 ATOM 326 OE2 GLU A 38 19.022 52.284 -21.137 1.00 0.00 ATOM 327 O GLU A 38 18.535 47.352 -17.327 1.00 0.00 ATOM 328 C GLU A 38 17.457 47.292 -17.930 1.00 0.00 ATOM 329 N THR A 39 16.494 46.419 -17.619 1.00 0.00 ATOM 330 CA THR A 39 16.678 45.367 -16.628 1.00 0.00 ATOM 331 CB THR A 39 15.353 44.733 -16.441 1.00 0.00 ATOM 332 CG2 THR A 39 15.417 43.712 -15.394 1.00 0.00 ATOM 333 OG1 THR A 39 14.484 45.749 -15.997 1.00 0.00 ATOM 334 O THR A 39 18.576 43.949 -16.231 1.00 0.00 ATOM 335 C THR A 39 17.734 44.351 -17.036 1.00 0.00 ATOM 336 N ARG A 40 17.675 43.928 -18.291 1.00 0.00 ATOM 337 CA ARG A 40 18.617 42.946 -18.809 1.00 0.00 ATOM 338 CB ARG A 40 18.402 42.618 -20.230 1.00 0.00 ATOM 339 CG ARG A 40 17.076 41.925 -20.414 1.00 0.00 ATOM 340 CD ARG A 40 16.827 41.467 -21.848 1.00 0.00 ATOM 341 NE ARG A 40 15.505 40.858 -21.962 1.00 0.00 ATOM 342 CZ ARG A 40 15.181 39.651 -21.505 1.00 0.00 ATOM 343 NH1 ARG A 40 16.091 38.890 -20.895 1.00 0.00 ATOM 344 NH2 ARG A 40 13.935 39.213 -21.631 1.00 0.00 ATOM 345 O ARG A 40 20.992 42.845 -18.489 1.00 0.00 ATOM 346 C ARG A 40 20.034 43.511 -18.869 1.00 0.00 ATOM 347 N LYS A 41 20.148 44.736 -19.364 1.00 0.00 ATOM 348 CA LYS A 41 21.433 45.413 -19.490 1.00 0.00 ATOM 349 CB LYS A 41 21.262 46.763 -20.190 1.00 0.00 ATOM 350 CG LYS A 41 20.921 46.657 -21.667 1.00 0.00 ATOM 351 CD LYS A 41 20.768 48.031 -22.297 1.00 0.00 ATOM 352 CE LYS A 41 20.403 47.926 -23.769 1.00 0.00 ATOM 353 NZ LYS A 41 20.218 49.266 -24.393 1.00 0.00 ATOM 354 O LYS A 41 23.242 45.439 -17.908 1.00 0.00 ATOM 355 C LYS A 41 22.047 45.657 -18.113 1.00 0.00 ATOM 356 N LYS A 42 21.295 46.026 -17.034 1.00 0.00 ATOM 357 CA LYS A 42 21.761 46.233 -15.674 1.00 0.00 ATOM 358 CB LYS A 42 20.621 46.743 -14.789 1.00 0.00 ATOM 359 CG LYS A 42 20.188 48.168 -15.095 1.00 0.00 ATOM 360 CD LYS A 42 19.060 48.610 -14.178 1.00 0.00 ATOM 361 CE LYS A 42 18.603 50.023 -14.507 1.00 0.00 ATOM 362 NZ LYS A 42 17.481 50.461 -13.633 1.00 0.00 ATOM 363 O LYS A 42 23.289 44.862 -14.402 1.00 0.00 ATOM 364 C LYS A 42 22.276 44.906 -15.110 1.00 0.00 ATOM 365 N ASP A 43 21.605 43.811 -15.448 1.00 0.00 ATOM 366 CA ASP A 43 21.975 42.496 -15.017 1.00 0.00 ATOM 367 CB ASP A 43 21.249 42.132 -13.721 1.00 0.00 ATOM 368 CG ASP A 43 21.942 41.022 -12.957 1.00 0.00 ATOM 369 OD1 ASP A 43 23.016 40.571 -13.408 1.00 0.00 ATOM 370 OD2 ASP A 43 21.410 40.600 -11.908 1.00 0.00 ATOM 371 O ASP A 43 21.112 41.811 -17.155 1.00 0.00 ATOM 372 C ASP A 43 21.723 41.478 -16.133 1.00 0.00 ATOM 373 N GLY A 44 22.152 40.168 -15.856 1.00 0.00 ATOM 374 CA GLY A 44 21.945 39.113 -16.848 1.00 0.00 ATOM 375 O GLY A 44 19.589 39.310 -16.427 1.00 0.00 ATOM 376 C GLY A 44 20.454 38.922 -17.191 1.00 0.00 ATOM 377 N ASP A 45 20.169 38.304 -18.355 1.00 0.00 ATOM 378 CA ASP A 45 18.760 38.094 -18.716 1.00 0.00 ATOM 379 CB ASP A 45 18.648 37.528 -20.132 1.00 0.00 ATOM 380 CG ASP A 45 18.966 38.559 -21.198 1.00 0.00 ATOM 381 OD1 ASP A 45 19.027 39.761 -20.862 1.00 0.00 ATOM 382 OD2 ASP A 45 19.154 38.166 -22.369 1.00 0.00 ATOM 383 O ASP A 45 16.812 37.124 -17.814 1.00 0.00 ATOM 384 C ASP A 45 18.052 37.142 -17.794 1.00 0.00 ATOM 385 N ASP A 46 18.805 36.328 -16.932 1.00 0.00 ATOM 386 CA ASP A 46 18.198 35.426 -15.965 1.00 0.00 ATOM 387 CB ASP A 46 19.104 34.184 -15.852 1.00 0.00 ATOM 388 CG ASP A 46 19.356 33.476 -17.146 1.00 0.00 ATOM 389 OD1 ASP A 46 18.376 33.293 -17.923 1.00 0.00 ATOM 390 OD2 ASP A 46 20.522 33.101 -17.419 1.00 0.00 ATOM 391 O ASP A 46 17.178 35.482 -13.805 1.00 0.00 ATOM 392 C ASP A 46 17.763 36.137 -14.668 1.00 0.00 ATOM 393 N PHE A 47 18.006 37.434 -14.573 1.00 0.00 ATOM 394 CA PHE A 47 17.681 38.252 -13.410 1.00 0.00 ATOM 395 CB PHE A 47 18.943 38.905 -12.841 1.00 0.00 ATOM 396 CG PHE A 47 19.955 37.920 -12.327 1.00 0.00 ATOM 397 CD1 PHE A 47 20.982 37.474 -13.140 1.00 0.00 ATOM 398 CD2 PHE A 47 19.879 37.440 -11.032 1.00 0.00 ATOM 399 CE1 PHE A 47 21.913 36.569 -12.666 1.00 0.00 ATOM 400 CE2 PHE A 47 20.810 36.534 -10.558 1.00 0.00 ATOM 401 CZ PHE A 47 21.824 36.099 -11.369 1.00 0.00 ATOM 402 O PHE A 47 16.590 39.678 -14.990 1.00 0.00 ATOM 403 C PHE A 47 16.719 39.348 -13.803 1.00 0.00 ATOM 404 N LEU A 48 16.033 39.912 -12.809 1.00 0.00 ATOM 405 CA LEU A 48 15.209 41.099 -13.040 1.00 0.00 ATOM 406 CB LEU A 48 13.703 40.660 -12.767 1.00 0.00 ATOM 407 CG LEU A 48 13.075 39.593 -13.658 1.00 0.00 ATOM 408 CD1 LEU A 48 11.690 39.309 -13.157 1.00 0.00 ATOM 409 CD2 LEU A 48 12.996 40.039 -15.101 1.00 0.00 ATOM 410 O LEU A 48 15.486 43.483 -12.857 1.00 0.00 ATOM 411 C LEU A 48 15.755 42.370 -12.393 1.00 0.00 ATOM 412 N GLY A 49 16.513 42.203 -11.316 1.00 0.00 ATOM 413 CA GLY A 49 17.056 43.345 -10.612 1.00 0.00 ATOM 414 O GLY A 49 16.449 44.649 -8.703 1.00 0.00 ATOM 415 C GLY A 49 16.095 43.826 -9.545 1.00 0.00 ATOM 416 N ASN A 50 14.867 43.309 -9.568 1.00 0.00 ATOM 417 CA ASN A 50 13.857 43.690 -8.609 1.00 0.00 ATOM 418 CB ASN A 50 14.249 43.168 -7.240 1.00 0.00 ATOM 419 CG ASN A 50 13.077 43.120 -6.306 1.00 0.00 ATOM 420 ND2 ASN A 50 13.302 43.468 -5.045 1.00 0.00 ATOM 421 OD1 ASN A 50 11.966 42.763 -6.730 1.00 0.00 ATOM 422 O ASN A 50 13.383 45.763 -7.418 1.00 0.00 ATOM 423 C ASN A 50 13.526 45.186 -8.497 1.00 0.00 ATOM 424 N HIS A 51 9.569 43.433 -6.937 1.00 0.00 ATOM 425 CA HIS A 51 8.544 43.820 -5.972 1.00 0.00 ATOM 426 CB HIS A 51 7.169 43.870 -6.642 1.00 0.00 ATOM 427 CG HIS A 51 6.100 44.476 -5.786 1.00 0.00 ATOM 428 CD2 HIS A 51 5.464 45.781 -5.690 1.00 0.00 ATOM 429 ND1 HIS A 51 5.451 43.771 -4.796 1.00 0.00 ATOM 430 CE1 HIS A 51 4.551 44.576 -4.203 1.00 0.00 ATOM 431 NE2 HIS A 51 4.553 45.783 -4.735 1.00 0.00 ATOM 432 O HIS A 51 8.754 41.580 -5.035 1.00 0.00 ATOM 433 C HIS A 51 8.501 42.799 -4.825 1.00 0.00 ATOM 434 N ILE A 52 8.158 43.268 -3.626 1.00 0.00 ATOM 435 CA ILE A 52 8.087 42.343 -2.475 1.00 0.00 ATOM 436 CB ILE A 52 8.275 43.089 -1.141 1.00 0.00 ATOM 437 CG1 ILE A 52 9.662 43.730 -1.078 1.00 0.00 ATOM 438 CG2 ILE A 52 8.135 42.128 0.030 1.00 0.00 ATOM 439 CD1 ILE A 52 9.848 44.672 0.092 1.00 0.00 ATOM 440 O ILE A 52 5.697 42.238 -2.403 1.00 0.00 ATOM 441 C ILE A 52 6.749 41.606 -2.403 1.00 0.00 ATOM 442 N VAL A 53 6.784 40.282 -2.354 1.00 0.00 ATOM 443 CA VAL A 53 5.540 39.513 -2.344 1.00 0.00 ATOM 444 CB VAL A 53 5.439 38.615 -3.598 1.00 0.00 ATOM 445 CG1 VAL A 53 4.152 37.807 -3.557 1.00 0.00 ATOM 446 CG2 VAL A 53 5.507 39.446 -4.873 1.00 0.00 ATOM 447 O VAL A 53 6.450 37.775 -0.995 1.00 0.00 ATOM 448 C VAL A 53 5.491 38.541 -1.172 1.00 0.00 ATOM 449 N PRO A 54 4.437 38.529 -0.394 1.00 0.00 ATOM 450 CA PRO A 54 4.289 37.491 0.642 1.00 0.00 ATOM 451 CB PRO A 54 3.262 38.091 1.580 1.00 0.00 ATOM 452 CG PRO A 54 2.404 38.942 0.686 1.00 0.00 ATOM 453 CD PRO A 54 3.382 39.561 -0.280 1.00 0.00 ATOM 454 O PRO A 54 3.045 36.046 -0.815 1.00 0.00 ATOM 455 C PRO A 54 3.967 36.153 0.006 1.00 0.00 ATOM 456 N VAL A 55 4.781 35.162 0.337 1.00 0.00 ATOM 457 CA VAL A 55 4.556 33.806 -0.129 1.00 0.00 ATOM 458 CB VAL A 55 5.824 33.116 -0.665 1.00 0.00 ATOM 459 CG1 VAL A 55 5.521 31.681 -1.065 1.00 0.00 ATOM 460 CG2 VAL A 55 6.357 33.852 -1.886 1.00 0.00 ATOM 461 O VAL A 55 4.725 32.953 2.109 1.00 0.00 ATOM 462 C VAL A 55 4.024 33.074 1.101 1.00 0.00 ATOM 463 N VAL A 56 2.766 32.649 1.031 1.00 0.00 ATOM 464 CA VAL A 56 2.125 32.021 2.203 1.00 0.00 ATOM 465 CB VAL A 56 0.777 32.676 2.532 1.00 0.00 ATOM 466 CG1 VAL A 56 0.142 31.958 3.726 1.00 0.00 ATOM 467 CG2 VAL A 56 0.991 34.150 2.867 1.00 0.00 ATOM 468 O VAL A 56 1.319 30.363 0.655 1.00 0.00 ATOM 469 C VAL A 56 1.776 30.593 1.775 1.00 0.00 ATOM 470 N ALA A 57 2.041 29.642 2.670 1.00 0.00 ATOM 471 CA ALA A 57 1.602 28.251 2.463 1.00 0.00 ATOM 472 CB ALA A 57 2.652 27.277 2.947 1.00 0.00 ATOM 473 O ALA A 57 0.407 28.332 4.553 1.00 0.00 ATOM 474 C ALA A 57 0.370 28.039 3.337 1.00 0.00 ATOM 475 N GLY A 58 -0.747 27.572 2.749 1.00 0.00 ATOM 476 CA GLY A 58 -2.002 27.343 3.486 1.00 0.00 ATOM 477 O GLY A 58 -1.006 25.304 4.296 1.00 0.00 ATOM 478 C GLY A 58 -1.985 26.047 4.333 1.00 0.00 ATOM 479 N PRO A 59 -3.079 25.783 5.040 1.00 0.00 ATOM 480 CA PRO A 59 -3.175 24.621 5.981 1.00 0.00 ATOM 481 CB PRO A 59 -4.616 24.677 6.492 1.00 0.00 ATOM 482 CG PRO A 59 -4.999 26.115 6.373 1.00 0.00 ATOM 483 CD PRO A 59 -4.343 26.619 5.119 1.00 0.00 ATOM 484 O PRO A 59 -2.456 22.309 6.037 1.00 0.00 ATOM 485 C PRO A 59 -2.906 23.254 5.342 1.00 0.00 ATOM 486 N LYS A 60 -3.181 23.141 4.038 1.00 0.00 ATOM 487 CA LYS A 60 -2.959 21.916 3.258 1.00 0.00 ATOM 488 CB LYS A 60 -4.225 21.534 2.487 1.00 0.00 ATOM 489 CG LYS A 60 -5.404 21.170 3.373 1.00 0.00 ATOM 490 CD LYS A 60 -6.618 20.784 2.545 1.00 0.00 ATOM 491 CE LYS A 60 -7.816 20.475 3.430 1.00 0.00 ATOM 492 NZ LYS A 60 -8.996 20.039 2.636 1.00 0.00 ATOM 493 O LYS A 60 -1.709 21.268 1.281 1.00 0.00 ATOM 494 C LYS A 60 -1.826 22.068 2.228 1.00 0.00 ATOM 495 N ASP A 61 -0.902 23.124 2.438 1.00 0.00 ATOM 496 CA ASP A 61 0.256 23.281 1.606 1.00 0.00 ATOM 497 CB ASP A 61 0.770 21.917 1.141 1.00 0.00 ATOM 498 CG ASP A 61 1.385 21.110 2.267 1.00 0.00 ATOM 499 OD1 ASP A 61 1.685 21.702 3.326 1.00 0.00 ATOM 500 OD2 ASP A 61 1.565 19.887 2.093 1.00 0.00 ATOM 501 O ASP A 61 0.957 24.243 -0.440 1.00 0.00 ATOM 502 C ASP A 61 0.038 24.094 0.353 1.00 0.00 ATOM 503 N ARG A 62 -1.168 24.629 0.165 1.00 0.00 ATOM 504 CA ARG A 62 -1.377 25.430 -1.041 1.00 0.00 ATOM 505 CB ARG A 62 -2.838 25.873 -1.144 1.00 0.00 ATOM 506 CG ARG A 62 -3.807 24.746 -1.462 1.00 0.00 ATOM 507 CD ARG A 62 -5.236 25.256 -1.556 1.00 0.00 ATOM 508 NE ARG A 62 -6.185 24.179 -1.829 1.00 0.00 ATOM 509 CZ ARG A 62 -7.504 24.339 -1.873 1.00 0.00 ATOM 510 NH1 ARG A 62 -8.289 23.302 -2.129 1.00 0.00 ATOM 511 NH2 ARG A 62 -8.033 25.535 -1.662 1.00 0.00 ATOM 512 O ARG A 62 -0.262 27.206 0.093 1.00 0.00 ATOM 513 C ARG A 62 -0.477 26.651 -0.982 1.00 0.00 ATOM 514 N ALA A 63 0.029 27.070 -2.136 1.00 0.00 ATOM 515 CA ALA A 63 0.782 28.330 -2.270 1.00 0.00 ATOM 516 CB ALA A 63 1.864 28.195 -3.331 1.00 0.00 ATOM 517 O ALA A 63 -0.913 29.407 -3.618 1.00 0.00 ATOM 518 C ALA A 63 -0.087 29.518 -2.679 1.00 0.00 ATOM 519 N TYR A 64 0.090 30.640 -1.982 1.00 0.00 ATOM 520 CA TYR A 64 -0.633 31.885 -2.250 1.00 0.00 ATOM 521 CB TYR A 64 -1.683 32.138 -1.165 1.00 0.00 ATOM 522 CG TYR A 64 -2.768 31.085 -1.105 1.00 0.00 ATOM 523 CD1 TYR A 64 -2.635 29.974 -0.282 1.00 0.00 ATOM 524 CD2 TYR A 64 -3.919 31.206 -1.872 1.00 0.00 ATOM 525 CE1 TYR A 64 -3.621 29.008 -0.220 1.00 0.00 ATOM 526 CE2 TYR A 64 -4.915 30.249 -1.823 1.00 0.00 ATOM 527 CZ TYR A 64 -4.758 29.144 -0.987 1.00 0.00 ATOM 528 OH TYR A 64 -5.740 28.182 -0.928 1.00 0.00 ATOM 529 O TYR A 64 1.255 33.092 -1.390 1.00 0.00 ATOM 530 C TYR A 64 0.377 33.016 -2.260 1.00 0.00 ATOM 531 N LEU A 65 0.222 33.806 -3.237 1.00 0.00 ATOM 532 CA LEU A 65 1.094 34.961 -3.403 1.00 0.00 ATOM 533 CB LEU A 65 1.850 34.792 -4.722 1.00 0.00 ATOM 534 CG LEU A 65 2.644 33.494 -4.887 1.00 0.00 ATOM 535 CD1 LEU A 65 3.229 33.396 -6.288 1.00 0.00 ATOM 536 CD2 LEU A 65 3.788 33.433 -3.888 1.00 0.00 ATOM 537 O LEU A 65 -0.638 36.420 -4.168 1.00 0.00 ATOM 538 C LEU A 65 0.245 36.216 -3.334 1.00 0.00 ATOM 539 N ILE A 66 0.514 37.026 -2.320 1.00 0.00 ATOM 540 CA ILE A 66 -0.222 38.268 -2.130 1.00 0.00 ATOM 541 CB ILE A 66 -0.655 38.491 -0.669 1.00 0.00 ATOM 542 CG1 ILE A 66 -1.608 37.382 -0.220 1.00 0.00 ATOM 543 CG2 ILE A 66 -1.368 39.827 -0.522 1.00 0.00 ATOM 544 CD1 ILE A 66 -1.914 37.402 1.262 1.00 0.00 ATOM 545 O ILE A 66 1.765 39.623 -1.904 1.00 0.00 ATOM 546 C ILE A 66 0.718 39.419 -2.543 1.00 0.00 ATOM 547 N ASP A 67 0.361 40.081 -3.597 1.00 0.00 ATOM 548 CA ASP A 67 1.214 41.110 -4.186 1.00 0.00 ATOM 549 CB ASP A 67 0.864 41.232 -5.644 1.00 0.00 ATOM 550 CG ASP A 67 1.723 42.307 -6.281 1.00 0.00 ATOM 551 OD1 ASP A 67 2.806 42.610 -5.736 1.00 0.00 ATOM 552 OD2 ASP A 67 1.320 42.842 -7.333 1.00 0.00 ATOM 553 O ASP A 67 -0.212 43.021 -3.964 1.00 0.00 ATOM 554 C ASP A 67 0.870 42.506 -3.685 1.00 0.00 ATOM 555 N HIS A 68 1.810 43.122 -2.957 1.00 0.00 ATOM 556 CA HIS A 68 1.642 44.473 -2.470 1.00 0.00 ATOM 557 CB HIS A 68 2.773 44.917 -1.579 1.00 0.00 ATOM 558 CG HIS A 68 2.695 44.197 -0.255 1.00 0.00 ATOM 559 CD2 HIS A 68 3.451 43.206 0.257 1.00 0.00 ATOM 560 ND1 HIS A 68 1.687 44.430 0.621 1.00 0.00 ATOM 561 CE1 HIS A 68 1.835 43.656 1.674 1.00 0.00 ATOM 562 NE2 HIS A 68 2.910 42.892 1.483 1.00 0.00 ATOM 563 O HIS A 68 0.768 46.389 -3.563 1.00 0.00 ATOM 564 C HIS A 68 1.585 45.471 -3.605 1.00 0.00 ATOM 565 N HIS A 69 2.910 48.497 -5.680 1.00 0.00 ATOM 566 CA HIS A 69 1.817 48.847 -6.603 1.00 0.00 ATOM 567 CB HIS A 69 0.863 49.846 -5.947 1.00 0.00 ATOM 568 CG HIS A 69 0.040 49.261 -4.842 1.00 0.00 ATOM 569 CD2 HIS A 69 -0.271 47.916 -4.380 1.00 0.00 ATOM 570 ND1 HIS A 69 -0.662 50.036 -3.945 1.00 0.00 ATOM 571 CE1 HIS A 69 -1.300 49.231 -3.076 1.00 0.00 ATOM 572 NE2 HIS A 69 -1.069 47.958 -3.331 1.00 0.00 ATOM 573 O HIS A 69 1.712 49.202 -8.988 1.00 0.00 ATOM 574 C HIS A 69 2.283 49.487 -7.912 1.00 0.00 ATOM 575 N HIS A 70 3.291 50.358 -7.831 1.00 0.00 ATOM 576 CA HIS A 70 3.793 51.042 -9.053 1.00 0.00 ATOM 577 CB HIS A 70 4.772 52.157 -8.678 1.00 0.00 ATOM 578 CG HIS A 70 4.127 53.327 -8.003 1.00 0.00 ATOM 579 CD2 HIS A 70 2.761 53.797 -7.823 1.00 0.00 ATOM 580 ND1 HIS A 70 4.849 54.296 -7.342 1.00 0.00 ATOM 581 CE1 HIS A 70 3.998 55.211 -6.843 1.00 0.00 ATOM 582 NE2 HIS A 70 2.745 54.918 -7.128 1.00 0.00 ATOM 583 O HIS A 70 4.214 49.955 -11.139 1.00 0.00 ATOM 584 C HIS A 70 4.458 49.995 -9.936 1.00 0.00 ATOM 585 N LEU A 71 5.288 49.138 -9.335 1.00 0.00 ATOM 586 CA LEU A 71 5.958 48.117 -10.132 1.00 0.00 ATOM 587 CB LEU A 71 6.998 47.402 -9.194 1.00 0.00 ATOM 588 CG LEU A 71 8.049 46.440 -9.768 1.00 0.00 ATOM 589 CD1 LEU A 71 8.954 45.968 -8.623 1.00 0.00 ATOM 590 CD2 LEU A 71 7.399 45.235 -10.438 1.00 0.00 ATOM 591 O LEU A 71 5.067 46.828 -11.954 1.00 0.00 ATOM 592 C LEU A 71 4.942 47.182 -10.781 1.00 0.00 ATOM 593 N VAL A 72 3.936 46.780 -10.009 1.00 0.00 ATOM 594 CA VAL A 72 2.897 45.888 -10.517 1.00 0.00 ATOM 595 CB VAL A 72 1.810 45.526 -9.487 1.00 0.00 ATOM 596 CG1 VAL A 72 0.673 44.771 -10.155 1.00 0.00 ATOM 597 CG2 VAL A 72 2.389 44.650 -8.388 1.00 0.00 ATOM 598 O VAL A 72 1.974 45.963 -12.748 1.00 0.00 ATOM 599 C VAL A 72 2.186 46.571 -11.686 1.00 0.00 ATOM 600 N LEU A 73 1.831 47.863 -11.527 1.00 0.00 ATOM 601 CA LEU A 73 1.174 48.600 -12.620 1.00 0.00 ATOM 602 CB LEU A 73 0.858 50.025 -12.162 1.00 0.00 ATOM 603 CG LEU A 73 0.131 50.916 -13.172 1.00 0.00 ATOM 604 CD1 LEU A 73 -1.224 50.327 -13.529 1.00 0.00 ATOM 605 CD2 LEU A 73 -0.089 52.307 -12.600 1.00 0.00 ATOM 606 O LEU A 73 1.547 48.478 -15.000 1.00 0.00 ATOM 607 C LEU A 73 2.050 48.668 -13.873 1.00 0.00 ATOM 608 N ALA A 74 3.348 48.911 -13.671 1.00 0.00 ATOM 609 CA ALA A 74 4.317 49.025 -14.789 1.00 0.00 ATOM 610 CB ALA A 74 5.698 49.380 -14.257 1.00 0.00 ATOM 611 O ALA A 74 4.368 47.667 -16.799 1.00 0.00 ATOM 612 C ALA A 74 4.408 47.690 -15.558 1.00 0.00 ATOM 613 N LEU A 75 4.523 46.568 -14.825 1.00 0.00 ATOM 614 CA LEU A 75 4.563 45.266 -15.495 1.00 0.00 ATOM 615 CB LEU A 75 4.792 44.147 -14.477 1.00 0.00 ATOM 616 CG LEU A 75 6.176 44.096 -13.827 1.00 0.00 ATOM 617 CD1 LEU A 75 6.208 43.060 -12.713 1.00 0.00 ATOM 618 CD2 LEU A 75 7.238 43.727 -14.851 1.00 0.00 ATOM 619 O LEU A 75 3.277 44.440 -17.363 1.00 0.00 ATOM 620 C LEU A 75 3.259 44.946 -16.240 1.00 0.00 ATOM 621 N SER A 76 2.119 45.330 -15.658 1.00 0.00 ATOM 622 CA SER A 76 0.846 45.224 -16.341 1.00 0.00 ATOM 623 CB SER A 76 -0.285 45.739 -15.449 1.00 0.00 ATOM 624 OG SER A 76 -0.464 44.903 -14.319 1.00 0.00 ATOM 625 O SER A 76 0.406 45.565 -18.704 1.00 0.00 ATOM 626 C SER A 76 0.841 46.051 -17.643 1.00 0.00 ATOM 627 N LYS A 77 1.299 47.319 -17.596 1.00 0.00 ATOM 628 CA LYS A 77 1.275 48.178 -18.808 1.00 0.00 ATOM 629 CB LYS A 77 1.793 49.565 -18.477 1.00 0.00 ATOM 630 CG LYS A 77 0.840 50.351 -17.590 1.00 0.00 ATOM 631 CD LYS A 77 1.325 51.766 -17.360 1.00 0.00 ATOM 632 CE LYS A 77 0.314 52.567 -16.559 1.00 0.00 ATOM 633 NZ LYS A 77 0.808 53.947 -16.292 1.00 0.00 ATOM 634 O LYS A 77 1.916 47.834 -21.096 1.00 0.00 ATOM 635 C LYS A 77 2.173 47.619 -19.910 1.00 0.00 ATOM 636 N GLU A 78 3.230 46.895 -19.507 1.00 0.00 ATOM 637 CA GLU A 78 4.152 46.295 -20.466 1.00 0.00 ATOM 638 CB GLU A 78 5.564 46.905 -20.091 1.00 0.00 ATOM 639 CG GLU A 78 6.693 46.424 -21.022 1.00 0.00 ATOM 640 CD GLU A 78 7.908 47.305 -20.801 1.00 0.00 ATOM 641 OE1 GLU A 78 8.792 46.959 -20.024 1.00 0.00 ATOM 642 OE2 GLU A 78 7.995 48.376 -21.450 1.00 0.00 ATOM 643 O GLU A 78 4.340 44.237 -21.700 1.00 0.00 ATOM 644 C GLU A 78 3.652 44.923 -20.922 1.00 0.00 ATOM 645 N GLY A 79 2.476 44.511 -20.451 1.00 0.00 ATOM 646 CA GLY A 79 1.878 43.220 -20.824 1.00 0.00 ATOM 647 O GLY A 79 2.932 41.091 -21.221 1.00 0.00 ATOM 648 C GLY A 79 2.821 42.072 -20.468 1.00 0.00 ATOM 649 N VAL A 80 3.515 42.192 -19.347 1.00 0.00 ATOM 650 CA VAL A 80 4.490 41.145 -18.994 1.00 0.00 ATOM 651 CB VAL A 80 5.604 41.714 -18.127 1.00 0.00 ATOM 652 CG1 VAL A 80 6.201 42.931 -18.785 1.00 0.00 ATOM 653 CG2 VAL A 80 5.081 42.062 -16.764 1.00 0.00 ATOM 654 O VAL A 80 2.997 40.163 -17.406 1.00 0.00 ATOM 655 C VAL A 80 3.857 39.979 -18.272 1.00 0.00 ATOM 656 N GLU A 81 4.279 38.753 -18.606 1.00 0.00 ATOM 657 CA GLU A 81 3.708 37.565 -17.988 1.00 0.00 ATOM 658 CB GLU A 81 4.102 36.297 -18.749 1.00 0.00 ATOM 659 CG GLU A 81 3.533 36.218 -20.157 1.00 0.00 ATOM 660 CD GLU A 81 3.995 34.982 -20.902 1.00 0.00 ATOM 661 OE1 GLU A 81 4.807 34.217 -20.339 1.00 0.00 ATOM 662 OE2 GLU A 81 3.545 34.777 -22.049 1.00 0.00 ATOM 663 O GLU A 81 3.380 37.014 -15.679 1.00 0.00 ATOM 664 C GLU A 81 4.158 37.422 -16.534 1.00 0.00 ATOM 665 N HIS A 82 5.432 37.713 -16.283 1.00 0.00 ATOM 666 CA HIS A 82 6.011 37.614 -14.926 1.00 0.00 ATOM 667 CB HIS A 82 7.218 36.691 -14.939 1.00 0.00 ATOM 668 CG HIS A 82 6.968 35.409 -15.666 1.00 0.00 ATOM 669 CD2 HIS A 82 6.068 34.422 -15.446 1.00 0.00 ATOM 670 ND1 HIS A 82 7.666 35.047 -16.799 1.00 0.00 ATOM 671 CE1 HIS A 82 7.207 33.894 -17.246 1.00 0.00 ATOM 672 NE2 HIS A 82 6.239 33.491 -16.444 1.00 0.00 ATOM 673 O HIS A 82 6.860 39.891 -15.186 1.00 0.00 ATOM 674 C HIS A 82 6.590 38.928 -14.412 1.00 0.00 ATOM 675 N VAL A 83 6.803 38.967 -13.086 1.00 0.00 ATOM 676 CA VAL A 83 7.418 40.086 -12.403 1.00 0.00 ATOM 677 CB VAL A 83 6.388 40.880 -11.579 1.00 0.00 ATOM 678 CG1 VAL A 83 7.073 41.761 -10.561 1.00 0.00 ATOM 679 CG2 VAL A 83 5.354 41.520 -12.476 1.00 0.00 ATOM 680 O VAL A 83 8.120 38.466 -10.747 1.00 0.00 ATOM 681 C VAL A 83 8.406 39.500 -11.377 1.00 0.00 ATOM 682 N LEU A 84 9.595 40.117 -11.259 1.00 0.00 ATOM 683 CA LEU A 84 10.533 39.698 -10.199 1.00 0.00 ATOM 684 CB LEU A 84 11.844 40.479 -10.306 1.00 0.00 ATOM 685 CG LEU A 84 12.954 40.078 -9.331 1.00 0.00 ATOM 686 CD1 LEU A 84 13.415 38.653 -9.599 1.00 0.00 ATOM 687 CD2 LEU A 84 14.154 41.001 -9.473 1.00 0.00 ATOM 688 O LEU A 84 9.533 41.127 -8.567 1.00 0.00 ATOM 689 C LEU A 84 9.899 39.967 -8.835 1.00 0.00 ATOM 690 N THR A 85 9.797 38.927 -7.998 1.00 0.00 ATOM 691 CA THR A 85 9.206 39.061 -6.674 1.00 0.00 ATOM 692 CB THR A 85 7.812 38.410 -6.610 1.00 0.00 ATOM 693 CG2 THR A 85 7.211 38.573 -5.222 1.00 0.00 ATOM 694 OG1 THR A 85 6.946 39.034 -7.566 1.00 0.00 ATOM 695 O THR A 85 10.652 37.293 -5.878 1.00 0.00 ATOM 696 C THR A 85 10.088 38.386 -5.620 1.00 0.00 ATOM 697 N SER A 86 10.191 39.038 -4.462 1.00 0.00 ATOM 698 CA SER A 86 10.800 38.430 -3.305 1.00 0.00 ATOM 699 CB SER A 86 11.437 39.498 -2.412 1.00 0.00 ATOM 700 OG SER A 86 11.950 38.927 -1.221 1.00 0.00 ATOM 701 O SER A 86 8.800 38.333 -1.900 1.00 0.00 ATOM 702 C SER A 86 9.694 37.695 -2.536 1.00 0.00 ATOM 703 N GLU A 87 9.695 36.371 -2.643 1.00 0.00 ATOM 704 CA GLU A 87 8.692 35.554 -1.947 1.00 0.00 ATOM 705 CB GLU A 87 8.562 34.184 -2.615 1.00 0.00 ATOM 706 CG GLU A 87 8.048 34.235 -4.044 1.00 0.00 ATOM 707 CD GLU A 87 7.939 32.860 -4.675 1.00 0.00 ATOM 708 OE1 GLU A 87 8.290 31.868 -4.001 1.00 0.00 ATOM 709 OE2 GLU A 87 7.501 32.774 -5.840 1.00 0.00 ATOM 710 O GLU A 87 10.153 34.756 -0.239 1.00 0.00 ATOM 711 C GLU A 87 9.145 35.404 -0.508 1.00 0.00 ATOM 712 N VAL A 88 8.412 36.032 0.387 1.00 0.00 ATOM 713 CA VAL A 88 8.762 35.964 1.803 1.00 0.00 ATOM 714 CB VAL A 88 8.651 37.370 2.423 1.00 0.00 ATOM 715 CG1 VAL A 88 9.017 37.332 3.898 1.00 0.00 ATOM 716 CG2 VAL A 88 9.591 38.338 1.720 1.00 0.00 ATOM 717 O VAL A 88 6.553 35.282 2.529 1.00 0.00 ATOM 718 C VAL A 88 7.768 35.049 2.532 1.00 0.00 ATOM 719 N ALA A 89 8.352 33.906 3.095 1.00 0.00 ATOM 720 CA ALA A 89 7.498 32.953 3.805 1.00 0.00 ATOM 721 CB ALA A 89 8.328 31.783 4.310 1.00 0.00 ATOM 722 O ALA A 89 7.479 34.276 5.816 1.00 0.00 ATOM 723 C ALA A 89 6.830 33.617 4.986 1.00 0.00 ATOM 724 N LYS A 90 5.442 33.846 4.665 1.00 0.00 ATOM 725 CA LYS A 90 4.680 34.615 5.648 1.00 0.00 ATOM 726 CB LYS A 90 3.225 34.763 5.199 1.00 0.00 ATOM 727 CG LYS A 90 2.382 35.641 6.109 1.00 0.00 ATOM 728 CD LYS A 90 0.987 35.848 5.541 1.00 0.00 ATOM 729 CE LYS A 90 0.137 36.709 6.460 1.00 0.00 ATOM 730 NZ LYS A 90 -1.229 36.929 5.911 1.00 0.00 ATOM 731 O LYS A 90 4.347 34.599 8.017 1.00 0.00 ATOM 732 C LYS A 90 4.662 33.951 7.020 1.00 0.00 ATOM 733 N PHE A 91 4.985 32.638 7.021 1.00 0.00 ATOM 734 CA PHE A 91 4.976 31.886 8.274 1.00 0.00 ATOM 735 CB PHE A 91 5.120 30.396 7.960 1.00 0.00 ATOM 736 CG PHE A 91 3.888 29.781 7.360 1.00 0.00 ATOM 737 CD1 PHE A 91 2.705 30.497 7.286 1.00 0.00 ATOM 738 CD2 PHE A 91 3.910 28.489 6.868 1.00 0.00 ATOM 739 CE1 PHE A 91 1.571 29.933 6.734 1.00 0.00 ATOM 740 CE2 PHE A 91 2.776 27.924 6.315 1.00 0.00 ATOM 741 CZ PHE A 91 1.610 28.640 6.247 1.00 0.00 ATOM 742 O PHE A 91 7.267 32.397 8.766 1.00 0.00 ATOM 743 C PHE A 91 6.116 32.302 9.190 1.00 0.00 ATOM 744 N SER A 92 5.775 32.549 10.449 1.00 0.00 ATOM 745 CA SER A 92 6.745 32.958 11.430 1.00 0.00 ATOM 746 CB SER A 92 6.068 33.217 12.777 1.00 0.00 ATOM 747 OG SER A 92 7.022 33.552 13.771 1.00 0.00 ATOM 748 O SER A 92 7.427 30.689 11.531 1.00 0.00 ATOM 749 C SER A 92 7.766 31.861 11.587 1.00 0.00 ATOM 750 N HIS A 93 9.020 32.241 11.795 1.00 0.00 ATOM 751 CA HIS A 93 10.078 31.264 11.967 1.00 0.00 ATOM 752 CB HIS A 93 11.394 31.958 12.321 1.00 0.00 ATOM 753 CG HIS A 93 12.532 31.013 12.555 1.00 0.00 ATOM 754 CD2 HIS A 93 13.241 30.510 13.722 1.00 0.00 ATOM 755 ND1 HIS A 93 13.187 30.368 11.528 1.00 0.00 ATOM 756 CE1 HIS A 93 14.155 29.591 12.047 1.00 0.00 ATOM 757 NE2 HIS A 93 14.193 29.671 13.363 1.00 0.00 ATOM 758 O HIS A 93 9.941 29.125 13.041 1.00 0.00 ATOM 759 C HIS A 93 9.693 30.325 13.097 1.00 0.00 ATOM 760 N LEU A 94 9.082 30.849 14.122 1.00 0.00 ATOM 761 CA LEU A 94 8.657 30.090 15.287 1.00 0.00 ATOM 762 CB LEU A 94 8.162 31.029 16.389 1.00 0.00 ATOM 763 CG LEU A 94 7.663 30.364 17.673 1.00 0.00 ATOM 764 CD1 LEU A 94 8.789 29.600 18.354 1.00 0.00 ATOM 765 CD2 LEU A 94 7.138 31.405 18.649 1.00 0.00 ATOM 766 O LEU A 94 7.556 27.959 15.193 1.00 0.00 ATOM 767 C LEU A 94 7.528 29.157 14.896 1.00 0.00 ATOM 768 N GLY A 95 6.513 29.731 14.263 1.00 0.00 ATOM 769 CA GLY A 95 5.361 28.968 13.828 1.00 0.00 ATOM 770 O GLY A 95 5.163 26.907 12.645 1.00 0.00 ATOM 771 C GLY A 95 5.690 28.021 12.694 1.00 0.00 ATOM 772 N LYS A 96 6.026 28.641 11.358 1.00 0.00 ATOM 773 CA LYS A 96 6.339 27.882 10.138 1.00 0.00 ATOM 774 CB LYS A 96 7.373 28.648 9.323 1.00 0.00 ATOM 775 CG LYS A 96 7.746 27.993 8.009 1.00 0.00 ATOM 776 CD LYS A 96 8.601 28.929 7.169 1.00 0.00 ATOM 777 CE LYS A 96 8.758 28.346 5.786 1.00 0.00 ATOM 778 NZ LYS A 96 9.548 29.242 4.884 1.00 0.00 ATOM 779 O LYS A 96 6.470 25.485 9.889 1.00 0.00 ATOM 780 C LYS A 96 6.830 26.488 10.516 1.00 0.00 ATOM 781 N ASP A 97 7.664 26.430 11.547 1.00 0.00 ATOM 782 CA ASP A 97 8.219 25.163 11.989 1.00 0.00 ATOM 783 CB ASP A 97 9.156 25.376 13.179 1.00 0.00 ATOM 784 CG ASP A 97 10.468 26.024 12.780 1.00 0.00 ATOM 785 OD1 ASP A 97 10.750 26.093 11.566 1.00 0.00 ATOM 786 OD2 ASP A 97 11.211 26.463 13.682 1.00 0.00 ATOM 787 O ASP A 97 7.140 23.054 12.111 1.00 0.00 ATOM 788 C ASP A 97 7.107 24.239 12.406 1.00 0.00 ATOM 789 N GLU A 98 6.120 24.787 13.093 1.00 0.00 ATOM 790 CA GLU A 98 4.995 23.985 13.524 1.00 0.00 ATOM 791 CB GLU A 98 4.017 24.830 14.343 1.00 0.00 ATOM 792 CG GLU A 98 4.538 25.225 15.716 1.00 0.00 ATOM 793 CD GLU A 98 3.596 26.159 16.450 1.00 0.00 ATOM 794 OE1 GLU A 98 2.573 26.559 15.855 1.00 0.00 ATOM 795 OE2 GLU A 98 3.881 26.495 17.618 1.00 0.00 ATOM 796 O GLU A 98 3.896 22.303 12.212 1.00 0.00 ATOM 797 C GLU A 98 4.309 23.461 12.269 1.00 0.00 ATOM 798 N PHE A 99 4.229 24.332 11.266 1.00 0.00 ATOM 799 CA PHE A 99 3.613 23.969 9.993 1.00 0.00 ATOM 800 CB PHE A 99 3.677 25.141 9.012 1.00 0.00 ATOM 801 CG PHE A 99 3.098 24.834 7.661 1.00 0.00 ATOM 802 CD1 PHE A 99 1.729 24.849 7.458 1.00 0.00 ATOM 803 CD2 PHE A 99 3.921 24.530 6.591 1.00 0.00 ATOM 804 CE1 PHE A 99 1.196 24.566 6.216 1.00 0.00 ATOM 805 CE2 PHE A 99 3.390 24.247 5.348 1.00 0.00 ATOM 806 CZ PHE A 99 2.033 24.264 5.157 1.00 0.00 ATOM 807 O PHE A 99 3.687 21.808 8.961 1.00 0.00 ATOM 808 C PHE A 99 4.324 22.780 9.356 1.00 0.00 ATOM 809 N TRP A 100 5.642 22.866 9.228 1.00 0.00 ATOM 810 CA TRP A 100 6.403 21.790 8.624 1.00 0.00 ATOM 811 CB TRP A 100 7.878 22.180 8.503 1.00 0.00 ATOM 812 CG TRP A 100 8.146 23.181 7.424 1.00 0.00 ATOM 813 CD1 TRP A 100 8.497 24.491 7.589 1.00 0.00 ATOM 814 CD2 TRP A 100 8.088 22.957 6.010 1.00 0.00 ATOM 815 CE2 TRP A 100 8.413 24.175 5.380 1.00 0.00 ATOM 816 CE3 TRP A 100 7.792 21.846 5.214 1.00 0.00 ATOM 817 NE1 TRP A 100 8.659 25.096 6.366 1.00 0.00 ATOM 818 CZ2 TRP A 100 8.452 24.311 3.993 1.00 0.00 ATOM 819 CZ3 TRP A 100 7.831 21.987 3.840 1.00 0.00 ATOM 820 CH2 TRP A 100 8.158 23.208 3.240 1.00 0.00 ATOM 821 O TRP A 100 6.119 19.415 8.864 1.00 0.00 ATOM 822 C TRP A 100 6.284 20.501 9.436 1.00 0.00 ATOM 823 N SER A 101 6.342 20.609 10.783 1.00 0.00 ATOM 824 CA SER A 101 6.271 19.422 11.651 1.00 0.00 ATOM 825 CB SER A 101 6.335 19.841 13.121 1.00 0.00 ATOM 826 OG SER A 101 7.622 20.335 13.456 1.00 0.00 ATOM 827 O SER A 101 4.907 17.479 11.355 1.00 0.00 ATOM 828 C SER A 101 4.930 18.707 11.414 1.00 0.00 ATOM 829 N VAL A 102 3.831 19.453 11.325 1.00 0.00 ATOM 830 CA VAL A 102 2.502 18.852 11.110 1.00 0.00 ATOM 831 CB VAL A 102 1.392 19.896 11.084 1.00 0.00 ATOM 832 CG1 VAL A 102 0.081 19.262 10.637 1.00 0.00 ATOM 833 CG2 VAL A 102 1.229 20.484 12.475 1.00 0.00 ATOM 834 O VAL A 102 2.033 16.935 9.738 1.00 0.00 ATOM 835 C VAL A 102 2.482 18.087 9.787 1.00 0.00 ATOM 836 N MET A 103 2.969 18.682 8.721 1.00 0.00 ATOM 837 CA MET A 103 3.010 18.037 7.407 1.00 0.00 ATOM 838 CB MET A 103 3.340 19.089 6.346 1.00 0.00 ATOM 839 CG MET A 103 2.315 20.204 6.236 1.00 0.00 ATOM 840 SD MET A 103 0.690 19.608 5.728 1.00 0.00 ATOM 841 CE MET A 103 -0.119 19.433 7.315 1.00 0.00 ATOM 842 O MET A 103 3.708 15.856 6.690 1.00 0.00 ATOM 843 C MET A 103 4.009 16.899 7.289 1.00 0.00 ATOM 844 N ASP A 104 5.164 17.054 7.896 1.00 0.00 ATOM 845 CA ASP A 104 6.178 16.014 7.892 1.00 0.00 ATOM 846 CB ASP A 104 7.437 16.532 8.586 1.00 0.00 ATOM 847 CG ASP A 104 8.545 15.513 8.599 1.00 0.00 ATOM 848 OD1 ASP A 104 8.935 15.041 7.510 1.00 0.00 ATOM 849 OD2 ASP A 104 8.979 15.136 9.705 1.00 0.00 ATOM 850 O ASP A 104 5.896 13.638 8.112 1.00 0.00 ATOM 851 C ASP A 104 5.683 14.749 8.586 1.00 0.00 ATOM 852 N HIS A 105 5.001 14.927 9.709 1.00 0.00 ATOM 853 CA HIS A 105 4.496 13.798 10.456 1.00 0.00 ATOM 854 CB HIS A 105 3.937 14.259 11.792 1.00 0.00 ATOM 855 CG HIS A 105 3.563 13.132 12.693 1.00 0.00 ATOM 856 CD2 HIS A 105 4.327 12.208 13.322 1.00 0.00 ATOM 857 ND1 HIS A 105 2.252 12.789 12.947 1.00 0.00 ATOM 858 CE1 HIS A 105 2.228 11.700 13.693 1.00 0.00 ATOM 859 NE2 HIS A 105 3.470 11.329 13.933 1.00 0.00 ATOM 860 O HIS A 105 3.336 11.849 9.656 1.00 0.00 ATOM 861 C HIS A 105 3.388 13.075 9.684 1.00 0.00 ATOM 862 N ARG A 106 2.508 13.816 9.051 1.00 0.00 ATOM 863 CA ARG A 106 1.421 13.260 8.272 1.00 0.00 ATOM 864 CB ARG A 106 0.181 13.969 9.321 1.00 0.00 ATOM 865 CG ARG A 106 -1.255 13.490 9.098 1.00 0.00 ATOM 866 CD ARG A 106 -2.157 14.217 10.082 1.00 0.00 ATOM 867 NE ARG A 106 -3.559 13.823 9.997 1.00 0.00 ATOM 868 CZ ARG A 106 -4.387 14.284 9.068 1.00 0.00 ATOM 869 NH1 ARG A 106 -3.984 15.132 8.129 1.00 0.00 ATOM 870 NH2 ARG A 106 -5.653 13.863 9.084 1.00 0.00 ATOM 871 O ARG A 106 0.894 12.385 6.098 1.00 0.00 ATOM 872 C ARG A 106 1.764 12.832 6.849 1.00 0.00 ATOM 873 N ASN A 107 3.007 12.975 6.496 1.00 0.00 ATOM 874 CA ASN A 107 3.486 12.586 5.172 1.00 0.00 ATOM 875 CB ASN A 107 2.975 11.164 4.934 1.00 0.00 ATOM 876 CG ASN A 107 3.636 10.147 5.844 1.00 0.00 ATOM 877 ND2 ASN A 107 2.908 9.084 6.169 1.00 0.00 ATOM 878 OD1 ASN A 107 4.786 10.316 6.249 1.00 0.00 ATOM 879 O ASN A 107 2.852 13.002 2.898 1.00 0.00 ATOM 880 C ASN A 107 2.902 13.412 4.041 1.00 0.00 ATOM 881 N LEU A 108 2.424 14.658 4.328 1.00 0.00 ATOM 882 CA LEU A 108 1.876 15.426 3.242 1.00 0.00 ATOM 883 CB LEU A 108 1.067 16.581 3.836 1.00 0.00 ATOM 884 CG LEU A 108 -0.229 16.199 4.555 1.00 0.00 ATOM 885 CD1 LEU A 108 -0.867 17.422 5.198 1.00 0.00 ATOM 886 CD2 LEU A 108 -1.229 15.598 3.580 1.00 0.00 ATOM 887 O LEU A 108 2.831 16.149 1.151 1.00 0.00 ATOM 888 C LEU A 108 3.002 15.943 2.340 1.00 0.00 ATOM 889 N ILE A 109 4.219 16.103 2.965 1.00 0.00 ATOM 890 CA ILE A 109 5.303 16.808 2.291 1.00 0.00 ATOM 891 CB ILE A 109 6.078 17.656 3.318 1.00 0.00 ATOM 892 CG1 ILE A 109 5.130 18.612 4.043 1.00 0.00 ATOM 893 CG2 ILE A 109 7.155 18.477 2.627 1.00 0.00 ATOM 894 CD1 ILE A 109 4.441 19.601 3.127 1.00 0.00 ATOM 895 O ILE A 109 6.686 16.195 0.446 1.00 0.00 ATOM 896 C ILE A 109 6.339 15.944 1.604 1.00 0.00 ATOM 897 N TYR A 110 6.864 14.941 2.306 1.00 0.00 ATOM 898 CA TYR A 110 8.040 14.227 1.776 1.00 0.00 ATOM 899 CB TYR A 110 8.514 13.164 2.770 1.00 0.00 ATOM 900 CG TYR A 110 9.704 12.364 2.290 1.00 0.00 ATOM 901 CD1 TYR A 110 10.986 12.893 2.345 1.00 0.00 ATOM 902 CD2 TYR A 110 9.540 11.081 1.783 1.00 0.00 ATOM 903 CE1 TYR A 110 12.080 12.169 1.909 1.00 0.00 ATOM 904 CE2 TYR A 110 10.622 10.341 1.342 1.00 0.00 ATOM 905 CZ TYR A 110 11.899 10.898 1.409 1.00 0.00 ATOM 906 OH TYR A 110 12.985 10.175 0.974 1.00 0.00 ATOM 907 O TYR A 110 8.711 13.691 -0.422 1.00 0.00 ATOM 908 C TYR A 110 7.835 13.569 0.436 1.00 0.00 ATOM 909 N PRO A 111 6.731 12.846 0.218 1.00 0.00 ATOM 910 CA PRO A 111 6.599 12.153 -1.068 1.00 0.00 ATOM 911 CB PRO A 111 5.287 11.391 -0.962 1.00 0.00 ATOM 912 CG PRO A 111 4.947 11.362 0.462 1.00 0.00 ATOM 913 CD PRO A 111 5.645 12.498 1.151 1.00 0.00 ATOM 914 O PRO A 111 7.580 12.792 -3.180 1.00 0.00 ATOM 915 C PRO A 111 6.781 13.082 -2.267 1.00 0.00 ATOM 916 N PHE A 112 5.965 14.214 -2.378 1.00 0.00 ATOM 917 CA PHE A 112 6.044 15.147 -3.505 1.00 0.00 ATOM 918 CB PHE A 112 4.974 16.233 -3.375 1.00 0.00 ATOM 919 CG PHE A 112 4.978 17.226 -4.504 1.00 0.00 ATOM 920 CD1 PHE A 112 4.429 16.900 -5.732 1.00 0.00 ATOM 921 CD2 PHE A 112 5.531 18.482 -4.337 1.00 0.00 ATOM 922 CE1 PHE A 112 4.433 17.812 -6.770 1.00 0.00 ATOM 923 CE2 PHE A 112 5.535 19.395 -5.376 1.00 0.00 ATOM 924 CZ PHE A 112 4.989 19.064 -6.589 1.00 0.00 ATOM 925 O PHE A 112 7.939 15.984 -4.632 1.00 0.00 ATOM 926 C PHE A 112 7.380 15.821 -3.564 1.00 0.00 ATOM 927 N ASP A 113 7.889 16.225 -2.410 1.00 0.00 ATOM 928 CA ASP A 113 9.146 16.939 -2.353 1.00 0.00 ATOM 929 CB ASP A 113 9.478 17.324 -0.910 1.00 0.00 ATOM 930 CG ASP A 113 10.752 18.138 -0.802 1.00 0.00 ATOM 931 OD1 ASP A 113 10.803 19.243 -1.383 1.00 0.00 ATOM 932 OD2 ASP A 113 11.700 17.671 -0.139 1.00 0.00 ATOM 933 O ASP A 113 11.062 16.515 -3.715 1.00 0.00 ATOM 934 C ASP A 113 10.265 16.082 -2.888 1.00 0.00 ATOM 935 N ALA A 114 10.330 14.853 -2.399 1.00 0.00 ATOM 936 CA ALA A 114 11.379 13.942 -2.779 1.00 0.00 ATOM 937 CB ALA A 114 11.282 12.656 -1.973 1.00 0.00 ATOM 938 O ALA A 114 12.329 13.467 -4.924 1.00 0.00 ATOM 939 C ALA A 114 11.298 13.583 -4.236 1.00 0.00 ATOM 940 N GLN A 115 10.002 13.215 -4.679 1.00 0.00 ATOM 941 CA GLN A 115 9.844 12.792 -6.011 1.00 0.00 ATOM 942 CB GLN A 115 8.397 12.372 -6.272 1.00 0.00 ATOM 943 CG GLN A 115 7.987 11.087 -5.572 1.00 0.00 ATOM 944 CD GLN A 115 6.519 10.761 -5.761 1.00 0.00 ATOM 945 OE1 GLN A 115 5.769 11.547 -6.339 1.00 0.00 ATOM 946 NE2 GLN A 115 6.104 9.597 -5.277 1.00 0.00 ATOM 947 O GLN A 115 10.926 13.688 -7.961 1.00 0.00 ATOM 948 C GLN A 115 10.215 13.909 -6.983 1.00 0.00 ATOM 949 N GLY A 116 9.776 15.113 -6.671 1.00 0.00 ATOM 950 CA GLY A 116 10.080 16.244 -7.528 1.00 0.00 ATOM 951 O GLY A 116 12.139 16.846 -8.590 1.00 0.00 ATOM 952 C GLY A 116 11.565 16.563 -7.537 1.00 0.00 ATOM 953 N LEU A 117 12.137 16.541 -6.381 1.00 0.00 ATOM 954 CA LEU A 117 13.558 16.839 -6.265 1.00 0.00 ATOM 955 CB LEU A 117 13.954 16.891 -4.788 1.00 0.00 ATOM 956 CG LEU A 117 13.379 18.051 -3.972 1.00 0.00 ATOM 957 CD1 LEU A 117 13.701 17.881 -2.495 1.00 0.00 ATOM 958 CD2 LEU A 117 13.964 19.376 -4.436 1.00 0.00 ATOM 959 O LEU A 117 15.466 16.171 -7.584 1.00 0.00 ATOM 960 C LEU A 117 14.463 15.827 -6.941 1.00 0.00 ATOM 961 N ARG A 118 13.978 14.503 -6.828 1.00 0.00 ATOM 962 CA ARG A 118 14.859 13.489 -7.400 1.00 0.00 ATOM 963 CB ARG A 118 14.462 12.095 -6.908 1.00 0.00 ATOM 964 CG ARG A 118 14.773 11.843 -5.442 1.00 0.00 ATOM 965 CD ARG A 118 14.279 10.476 -5.000 1.00 0.00 ATOM 966 NE ARG A 118 14.562 10.220 -3.590 1.00 0.00 ATOM 967 CZ ARG A 118 14.125 9.158 -2.920 1.00 0.00 ATOM 968 NH1 ARG A 118 14.432 9.011 -1.638 1.00 0.00 ATOM 969 NH2 ARG A 118 13.380 8.249 -3.534 1.00 0.00 ATOM 970 O ARG A 118 15.797 13.304 -9.564 1.00 0.00 ATOM 971 C ARG A 118 14.783 13.494 -8.916 1.00 0.00 ATOM 972 N ARG A 119 13.607 13.788 -9.449 1.00 0.00 ATOM 973 CA ARG A 119 13.415 13.878 -10.892 1.00 0.00 ATOM 974 CB ARG A 119 11.902 13.870 -11.216 1.00 0.00 ATOM 975 CG ARG A 119 11.208 12.543 -10.915 1.00 0.00 ATOM 976 CD ARG A 119 9.788 12.519 -11.470 1.00 0.00 ATOM 977 NE ARG A 119 8.882 13.420 -10.759 1.00 0.00 ATOM 978 CZ ARG A 119 8.218 13.101 -9.652 1.00 0.00 ATOM 979 NH1 ARG A 119 8.347 11.896 -9.113 1.00 0.00 ATOM 980 NH2 ARG A 119 7.406 13.990 -9.090 1.00 0.00 ATOM 981 O ARG A 119 14.681 15.058 -12.538 1.00 0.00 ATOM 982 C ARG A 119 14.088 15.123 -11.477 1.00 0.00 ATOM 983 N GLN A 120 13.994 16.245 -10.768 1.00 0.00 ATOM 984 CA GLN A 120 14.655 17.491 -11.138 1.00 0.00 ATOM 985 CB GLN A 120 14.267 18.642 -10.319 1.00 0.00 ATOM 986 CG GLN A 120 12.926 19.205 -10.769 1.00 0.00 ATOM 987 CD GLN A 120 12.914 19.545 -12.249 1.00 0.00 ATOM 988 OE1 GLN A 120 13.718 20.351 -12.721 1.00 0.00 ATOM 989 NE2 GLN A 120 11.999 18.927 -12.993 1.00 0.00 ATOM 990 O GLN A 120 16.956 18.005 -11.663 1.00 0.00 ATOM 991 C GLN A 120 16.167 17.313 -11.018 1.00 0.00 ATOM 992 N SER A 121 16.577 16.419 -10.131 1.00 0.00 ATOM 993 CA SER A 121 17.983 16.190 -9.836 1.00 0.00 ATOM 994 CB SER A 121 18.765 15.904 -11.119 1.00 0.00 ATOM 995 OG SER A 121 18.279 14.740 -11.764 1.00 0.00 ATOM 996 O SER A 121 19.859 17.169 -8.797 1.00 0.00 ATOM 997 C SER A 121 18.710 17.326 -9.156 1.00 0.00 ATOM 998 N GLY A 122 18.089 18.468 -8.946 1.00 0.00 ATOM 999 CA GLY A 122 18.861 19.560 -8.320 1.00 0.00 ATOM 1000 O GLY A 122 17.406 19.547 -6.405 1.00 0.00 ATOM 1001 C GLY A 122 18.498 19.863 -6.882 1.00 0.00 ATOM 1002 N ASP A 123 19.443 20.453 -6.188 1.00 0.00 ATOM 1003 CA ASP A 123 19.220 20.889 -4.809 1.00 0.00 ATOM 1004 CB ASP A 123 20.384 19.741 -4.072 1.00 0.00 ATOM 1005 CG ASP A 123 19.991 18.682 -3.021 1.00 0.00 ATOM 1006 OD1 ASP A 123 18.816 18.579 -2.588 1.00 0.00 ATOM 1007 OD2 ASP A 123 20.896 17.931 -2.627 1.00 0.00 ATOM 1008 O ASP A 123 19.067 23.004 -3.686 1.00 0.00 ATOM 1009 C ASP A 123 18.763 22.336 -4.674 1.00 0.00 ATOM 1010 N ILE A 124 18.046 22.804 -5.771 1.00 0.00 ATOM 1011 CA ILE A 124 17.534 24.171 -5.725 1.00 0.00 ATOM 1012 CB ILE A 124 18.084 25.106 -6.819 1.00 0.00 ATOM 1013 CG1 ILE A 124 17.804 24.527 -8.206 1.00 0.00 ATOM 1014 CG2 ILE A 124 19.588 25.278 -6.664 1.00 0.00 ATOM 1015 CD1 ILE A 124 18.103 25.483 -9.339 1.00 0.00 ATOM 1016 O ILE A 124 15.401 23.320 -6.442 1.00 0.00 ATOM 1017 C ILE A 124 16.031 24.253 -5.937 1.00 0.00 ATOM 1018 N PRO A 125 15.467 25.397 -5.551 1.00 0.00 ATOM 1019 CA PRO A 125 14.056 25.636 -5.733 1.00 0.00 ATOM 1020 CB PRO A 125 13.810 26.935 -4.983 1.00 0.00 ATOM 1021 CG PRO A 125 14.769 26.882 -3.840 1.00 0.00 ATOM 1022 CD PRO A 125 16.015 26.225 -4.385 1.00 0.00 ATOM 1023 O PRO A 125 14.798 26.589 -7.818 1.00 0.00 ATOM 1024 C PRO A 125 13.865 26.094 -7.175 1.00 0.00 ATOM 1025 N LYS A 126 12.669 25.874 -7.701 1.00 0.00 ATOM 1026 CA LYS A 126 12.380 26.268 -9.068 1.00 0.00 ATOM 1027 CB LYS A 126 10.932 25.930 -9.428 1.00 0.00 ATOM 1028 CG LYS A 126 10.657 24.442 -9.565 1.00 0.00 ATOM 1029 CD LYS A 126 9.203 24.180 -9.926 1.00 0.00 ATOM 1030 CE LYS A 126 8.923 22.690 -10.039 1.00 0.00 ATOM 1031 NZ LYS A 126 7.494 22.416 -10.359 1.00 0.00 ATOM 1032 O LYS A 126 13.122 28.220 -10.221 1.00 0.00 ATOM 1033 C LYS A 126 12.592 27.768 -9.210 1.00 0.00 ATOM 1034 N ASN A 127 12.181 28.539 -8.209 1.00 0.00 ATOM 1035 CA ASN A 127 12.352 29.980 -8.312 1.00 0.00 ATOM 1036 CB ASN A 127 11.788 30.676 -7.074 1.00 0.00 ATOM 1037 CG ASN A 127 10.272 30.679 -7.047 1.00 0.00 ATOM 1038 ND2 ASN A 127 9.703 30.875 -5.863 1.00 0.00 ATOM 1039 OD1 ASN A 127 9.622 30.506 -8.078 1.00 0.00 ATOM 1040 O ASN A 127 14.148 31.343 -9.069 1.00 0.00 ATOM 1041 C ASN A 127 13.821 30.351 -8.433 1.00 0.00 ATOM 1042 N ILE A 128 14.703 29.556 -7.834 1.00 0.00 ATOM 1043 CA ILE A 128 16.141 29.822 -7.912 1.00 0.00 ATOM 1044 CB ILE A 128 16.915 28.798 -6.949 1.00 0.00 ATOM 1045 CG1 ILE A 128 16.624 29.045 -5.460 1.00 0.00 ATOM 1046 CG2 ILE A 128 18.430 28.816 -7.209 1.00 0.00 ATOM 1047 CD1 ILE A 128 16.707 30.455 -5.037 1.00 0.00 ATOM 1048 O ILE A 128 17.473 30.370 -9.845 1.00 0.00 ATOM 1049 C ILE A 128 16.625 29.620 -9.344 1.00 0.00 ATOM 1050 N HIS A 129 16.071 28.602 -10.001 1.00 0.00 ATOM 1051 CA HIS A 129 16.466 28.261 -11.355 1.00 0.00 ATOM 1052 CB HIS A 129 15.723 27.011 -11.831 1.00 0.00 ATOM 1053 CG HIS A 129 16.201 26.489 -13.150 1.00 0.00 ATOM 1054 CD2 HIS A 129 15.615 26.308 -14.470 1.00 0.00 ATOM 1055 ND1 HIS A 129 17.485 26.023 -13.345 1.00 0.00 ATOM 1056 CE1 HIS A 129 17.616 25.625 -14.624 1.00 0.00 ATOM 1057 NE2 HIS A 129 16.499 25.792 -15.303 1.00 0.00 ATOM 1058 O HIS A 129 16.737 29.277 -13.509 1.00 0.00 ATOM 1059 C HIS A 129 16.192 29.333 -12.405 1.00 0.00 ATOM 1060 N ASP A 130 15.303 30.342 -12.035 1.00 0.00 ATOM 1061 CA ASP A 130 14.919 31.443 -12.918 1.00 0.00 ATOM 1062 CB ASP A 130 13.652 32.128 -12.402 1.00 0.00 ATOM 1063 CG ASP A 130 12.411 31.278 -12.591 1.00 0.00 ATOM 1064 OD1 ASP A 130 12.484 30.279 -13.340 1.00 0.00 ATOM 1065 OD2 ASP A 130 11.367 31.609 -11.993 1.00 0.00 ATOM 1066 O ASP A 130 15.982 33.356 -13.940 1.00 0.00 ATOM 1067 C ASP A 130 16.012 32.515 -13.042 1.00 0.00 ATOM 1068 N LEU A 131 16.984 32.462 -12.129 1.00 0.00 ATOM 1069 CA LEU A 131 18.059 33.429 -12.106 1.00 0.00 ATOM 1070 CB LEU A 131 18.423 33.782 -10.663 1.00 0.00 ATOM 1071 CG LEU A 131 17.313 34.406 -9.815 1.00 0.00 ATOM 1072 CD1 LEU A 131 17.786 34.626 -8.386 1.00 0.00 ATOM 1073 CD2 LEU A 131 16.890 35.749 -10.389 1.00 0.00 ATOM 1074 O LEU A 131 19.663 31.717 -12.653 1.00 0.00 ATOM 1075 C LEU A 131 19.309 32.886 -12.795 1.00 0.00 ATOM 1076 N GLU A 132 19.982 33.761 -13.525 1.00 0.00 ATOM 1077 CA GLU A 132 21.208 33.419 -14.221 1.00 0.00 ATOM 1078 CB GLU A 132 21.597 34.529 -15.200 1.00 0.00 ATOM 1079 CG GLU A 132 22.813 34.205 -16.052 1.00 0.00 ATOM 1080 CD GLU A 132 23.139 35.306 -17.042 1.00 0.00 ATOM 1081 OE1 GLU A 132 22.413 36.322 -17.062 1.00 0.00 ATOM 1082 OE2 GLU A 132 24.123 35.154 -17.796 1.00 0.00 ATOM 1083 O GLU A 132 22.404 34.061 -12.235 1.00 0.00 ATOM 1084 C GLU A 132 22.285 33.249 -13.162 1.00 0.00 ATOM 1085 N ASP A 133 23.023 32.160 -13.269 1.00 0.00 ATOM 1086 CA ASP A 133 24.192 31.917 -12.449 1.00 0.00 ATOM 1087 CB ASP A 133 24.539 30.428 -12.441 1.00 0.00 ATOM 1088 CG ASP A 133 25.634 30.091 -11.447 1.00 0.00 ATOM 1089 OD1 ASP A 133 26.018 30.983 -10.661 1.00 0.00 ATOM 1090 OD2 ASP A 133 26.108 28.935 -11.454 1.00 0.00 ATOM 1091 O ASP A 133 26.267 32.154 -13.637 1.00 0.00 ATOM 1092 C ASP A 133 25.347 32.702 -13.036 1.00 0.00 ATOM 1093 N ASP A 134 25.311 34.013 -12.880 1.00 0.00 ATOM 1094 CA ASP A 134 26.393 34.806 -13.450 1.00 0.00 ATOM 1095 CB ASP A 134 25.853 35.879 -14.398 1.00 0.00 ATOM 1096 CG ASP A 134 24.951 36.874 -13.695 1.00 0.00 ATOM 1097 OD1 ASP A 134 24.886 36.842 -12.449 1.00 0.00 ATOM 1098 OD2 ASP A 134 24.307 37.687 -14.394 1.00 0.00 ATOM 1099 O ASP A 134 27.013 35.384 -11.239 1.00 0.00 ATOM 1100 C ASP A 134 27.147 35.608 -12.434 1.00 0.00 ATOM 1101 N PRO A 135 28.046 36.562 -12.826 1.00 0.00 ATOM 1102 CA PRO A 135 28.890 37.172 -11.772 1.00 0.00 ATOM 1103 CB PRO A 135 29.830 38.064 -12.557 1.00 0.00 ATOM 1104 CG PRO A 135 29.797 37.492 -13.932 1.00 0.00 ATOM 1105 CD PRO A 135 28.406 36.921 -14.184 1.00 0.00 ATOM 1106 O PRO A 135 28.544 38.170 -9.616 1.00 0.00 ATOM 1107 C PRO A 135 28.068 37.909 -10.719 1.00 0.00 ATOM 1108 N PHE A 136 26.734 38.333 -11.102 1.00 0.00 ATOM 1109 CA PHE A 136 25.850 39.025 -10.174 1.00 0.00 ATOM 1110 CB PHE A 136 24.966 40.000 -10.954 1.00 0.00 ATOM 1111 CG PHE A 136 25.727 41.122 -11.604 1.00 0.00 ATOM 1112 CD1 PHE A 136 26.207 40.994 -12.896 1.00 0.00 ATOM 1113 CD2 PHE A 136 25.962 42.302 -10.923 1.00 0.00 ATOM 1114 CE1 PHE A 136 26.906 42.025 -13.493 1.00 0.00 ATOM 1115 CE2 PHE A 136 26.662 43.334 -11.520 1.00 0.00 ATOM 1116 CZ PHE A 136 27.133 43.199 -12.799 1.00 0.00 ATOM 1117 O PHE A 136 23.752 37.924 -9.751 1.00 0.00 ATOM 1118 C PHE A 136 24.880 38.193 -9.338 1.00 0.00 ATOM 1119 N ARG A 137 25.317 37.834 -8.136 1.00 0.00 ATOM 1120 CA ARG A 137 24.526 37.011 -7.230 1.00 0.00 ATOM 1121 CB ARG A 137 25.314 35.769 -6.809 1.00 0.00 ATOM 1122 CG ARG A 137 25.726 34.874 -7.965 1.00 0.00 ATOM 1123 CD ARG A 137 24.513 34.322 -8.697 1.00 0.00 ATOM 1124 NE ARG A 137 23.732 33.418 -7.857 1.00 0.00 ATOM 1125 CZ ARG A 137 24.046 32.146 -7.634 1.00 0.00 ATOM 1126 NH1 ARG A 137 23.276 31.399 -6.855 1.00 0.00 ATOM 1127 NH2 ARG A 137 25.131 31.624 -8.190 1.00 0.00 ATOM 1128 O ARG A 137 23.274 37.248 -5.199 1.00 0.00 ATOM 1129 C ARG A 137 24.113 37.738 -5.953 1.00 0.00 ATOM 1130 N SER A 138 24.755 38.875 -5.702 1.00 0.00 ATOM 1131 CA SER A 138 24.418 39.645 -4.501 1.00 0.00 ATOM 1132 CB SER A 138 25.604 39.667 -3.535 1.00 0.00 ATOM 1133 OG SER A 138 25.927 38.360 -3.093 1.00 0.00 ATOM 1134 O SER A 138 24.595 41.719 -5.717 1.00 0.00 ATOM 1135 C SER A 138 24.061 41.079 -4.814 1.00 0.00 ATOM 1136 N LEU A 139 23.190 41.598 -3.962 1.00 0.00 ATOM 1137 CA LEU A 139 22.760 43.014 -4.075 1.00 0.00 ATOM 1138 CB LEU A 139 21.778 43.366 -2.957 1.00 0.00 ATOM 1139 CG LEU A 139 20.396 42.714 -3.037 1.00 0.00 ATOM 1140 CD1 LEU A 139 19.591 43.003 -1.778 1.00 0.00 ATOM 1141 CD2 LEU A 139 19.618 43.246 -4.232 1.00 0.00 ATOM 1142 O LEU A 139 24.094 44.861 -4.800 1.00 0.00 ATOM 1143 C LEU A 139 23.945 43.960 -3.981 1.00 0.00 ATOM 1144 N ALA A 140 24.795 43.755 -2.978 1.00 0.00 ATOM 1145 CA ALA A 140 25.953 44.624 -2.791 1.00 0.00 ATOM 1146 CB ALA A 140 26.699 44.192 -1.537 1.00 0.00 ATOM 1147 O ALA A 140 27.329 45.684 -4.439 1.00 0.00 ATOM 1148 C ALA A 140 26.910 44.623 -3.970 1.00 0.00 ATOM 1149 N GLY A 141 27.324 43.492 -4.477 1.00 0.00 ATOM 1150 CA GLY A 141 28.204 43.420 -5.641 1.00 0.00 ATOM 1151 O GLY A 141 28.190 44.723 -7.661 1.00 0.00 ATOM 1152 C GLY A 141 27.543 44.039 -6.840 1.00 0.00 ATOM 1153 N ALA A 142 26.228 43.847 -6.937 1.00 0.00 ATOM 1154 CA ALA A 142 25.473 44.490 -8.013 1.00 0.00 ATOM 1155 CB ALA A 142 24.033 44.003 -8.011 1.00 0.00 ATOM 1156 O ALA A 142 25.588 46.719 -8.863 1.00 0.00 ATOM 1157 C ALA A 142 25.448 46.010 -7.874 1.00 0.00 ATOM 1158 N LEU A 143 25.305 46.511 -6.646 1.00 0.00 ATOM 1159 CA LEU A 143 25.298 47.961 -6.398 1.00 0.00 ATOM 1160 CB LEU A 143 24.933 48.220 -4.924 1.00 0.00 ATOM 1161 CG LEU A 143 24.912 49.698 -4.510 1.00 0.00 ATOM 1162 CD1 LEU A 143 23.919 50.471 -5.368 1.00 0.00 ATOM 1163 CD2 LEU A 143 24.550 49.804 -3.041 1.00 0.00 ATOM 1164 O LEU A 143 26.702 49.690 -7.277 1.00 0.00 ATOM 1165 C LEU A 143 26.641 48.605 -6.716 1.00 0.00 ATOM 1166 N ARG A 144 27.768 47.887 -6.302 1.00 0.00 ATOM 1167 CA ARG A 144 29.116 48.429 -6.480 1.00 0.00 ATOM 1168 CB ARG A 144 29.437 48.589 -7.969 1.00 0.00 ATOM 1169 CG ARG A 144 29.481 47.279 -8.738 1.00 0.00 ATOM 1170 CD ARG A 144 29.846 47.508 -10.195 1.00 0.00 ATOM 1171 NE ARG A 144 29.791 46.272 -10.974 1.00 0.00 ATOM 1172 CZ ARG A 144 29.913 46.217 -12.296 1.00 0.00 ATOM 1173 NH1 ARG A 144 29.850 45.049 -12.918 1.00 0.00 ATOM 1174 NH2 ARG A 144 30.098 47.329 -12.993 1.00 0.00 ATOM 1175 O ARG A 144 28.778 50.015 -4.702 1.00 0.00 ATOM 1176 C ARG A 144 29.255 49.790 -5.821 1.00 0.00 ATOM 1177 N MET A 145 29.879 50.711 -6.553 1.00 0.00 ATOM 1178 CA MET A 145 30.194 52.045 -6.047 1.00 0.00 ATOM 1179 CB MET A 145 31.509 52.548 -6.646 1.00 0.00 ATOM 1180 CG MET A 145 32.724 51.719 -6.258 1.00 0.00 ATOM 1181 SD MET A 145 32.995 51.676 -4.476 1.00 0.00 ATOM 1182 CE MET A 145 33.444 53.381 -4.160 1.00 0.00 ATOM 1183 O MET A 145 29.268 54.252 -6.051 1.00 0.00 ATOM 1184 C MET A 145 29.122 53.076 -6.389 1.00 0.00 ATOM 1185 N ALA A 146 28.051 52.643 -7.054 1.00 0.00 ATOM 1186 CA ALA A 146 26.982 53.538 -7.493 1.00 0.00 ATOM 1187 CB ALA A 146 26.054 52.821 -8.461 1.00 0.00 ATOM 1188 O ALA A 146 25.927 53.245 -5.386 1.00 0.00 ATOM 1189 C ALA A 146 26.160 54.016 -6.301 1.00 0.00 ATOM 1190 N GLY A 147 25.642 55.253 -6.346 1.00 0.00 ATOM 1191 CA GLY A 147 24.762 55.673 -5.260 1.00 0.00 ATOM 1192 O GLY A 147 22.863 54.755 -4.144 1.00 0.00 ATOM 1193 C GLY A 147 23.420 54.944 -5.226 1.00 0.00 ATOM 1194 N GLY A 148 22.913 54.551 -6.398 1.00 0.00 ATOM 1195 CA GLY A 148 21.586 53.947 -6.520 1.00 0.00 ATOM 1196 O GLY A 148 22.670 52.547 -8.128 1.00 0.00 ATOM 1197 C GLY A 148 21.692 52.715 -7.389 1.00 0.00 ATOM 1198 N TYR A 149 20.672 51.867 -7.341 1.00 0.00 ATOM 1199 CA TYR A 149 20.822 50.576 -8.002 1.00 0.00 ATOM 1200 CB TYR A 149 19.648 49.658 -7.657 1.00 0.00 ATOM 1201 CG TYR A 149 19.799 48.246 -8.179 1.00 0.00 ATOM 1202 CD1 TYR A 149 20.630 47.336 -7.536 1.00 0.00 ATOM 1203 CD2 TYR A 149 19.113 47.830 -9.312 1.00 0.00 ATOM 1204 CE1 TYR A 149 20.774 46.045 -8.006 1.00 0.00 ATOM 1205 CE2 TYR A 149 19.246 46.541 -9.796 1.00 0.00 ATOM 1206 CZ TYR A 149 20.086 45.648 -9.132 1.00 0.00 ATOM 1207 OH TYR A 149 20.228 44.363 -9.601 1.00 0.00 ATOM 1208 O TYR A 149 21.478 49.747 -10.146 1.00 0.00 ATOM 1209 C TYR A 149 20.881 50.626 -9.533 1.00 0.00 ATOM 1210 N ALA A 150 20.311 51.664 -10.127 1.00 0.00 ATOM 1211 CA ALA A 150 20.323 51.783 -11.589 1.00 0.00 ATOM 1212 CB ALA A 150 18.986 52.305 -12.091 1.00 0.00 ATOM 1213 O ALA A 150 21.449 52.976 -13.339 1.00 0.00 ATOM 1214 C ALA A 150 21.383 52.742 -12.126 1.00 0.00 ATOM 1215 N LYS A 151 22.198 53.297 -11.233 1.00 0.00 ATOM 1216 CA LYS A 151 23.296 54.182 -11.644 1.00 0.00 ATOM 1217 CB LYS A 151 23.271 54.401 -13.159 1.00 0.00 ATOM 1218 CG LYS A 151 23.577 53.152 -13.971 1.00 0.00 ATOM 1219 CD LYS A 151 23.550 53.445 -15.463 1.00 0.00 ATOM 1220 CE LYS A 151 23.839 52.193 -16.275 1.00 0.00 ATOM 1221 NZ LYS A 151 23.805 52.461 -17.739 1.00 0.00 ATOM 1222 O LYS A 151 23.096 55.633 -9.766 1.00 0.00 ATOM 1223 C LYS A 151 23.216 55.539 -10.984 1.00 0.00 ATOM 1224 N VAL A 152 23.247 56.595 -11.792 1.00 0.00 ATOM 1225 CA VAL A 152 23.309 57.955 -11.250 1.00 0.00 ATOM 1226 CB VAL A 152 24.004 58.921 -12.227 1.00 0.00 ATOM 1227 CG1 VAL A 152 25.417 58.448 -12.528 1.00 0.00 ATOM 1228 CG2 VAL A 152 23.234 59.001 -13.536 1.00 0.00 ATOM 1229 O VAL A 152 21.883 59.646 -10.305 1.00 0.00 ATOM 1230 C VAL A 152 21.949 58.591 -10.942 1.00 0.00 ATOM 1231 N ILE A 153 20.884 57.916 -11.369 1.00 0.00 ATOM 1232 CA ILE A 153 19.515 58.395 -11.224 1.00 0.00 ATOM 1233 CB ILE A 153 18.808 58.566 -12.592 1.00 0.00 ATOM 1234 CG1 ILE A 153 19.484 59.680 -13.389 1.00 0.00 ATOM 1235 CG2 ILE A 153 17.320 58.899 -12.384 1.00 0.00 ATOM 1236 CD1 ILE A 153 19.088 59.744 -14.860 1.00 0.00 ATOM 1237 O ILE A 153 18.624 56.231 -10.745 1.00 0.00 ATOM 1238 C ILE A 153 18.696 57.408 -10.396 1.00 0.00 ATOM 1239 N ILE A 154 18.049 57.886 -9.337 1.00 0.00 ATOM 1240 CA ILE A 154 17.303 56.974 -8.461 1.00 0.00 ATOM 1241 CB ILE A 154 16.849 57.679 -7.171 1.00 0.00 ATOM 1242 CG1 ILE A 154 16.370 56.653 -6.141 1.00 0.00 ATOM 1243 CG2 ILE A 154 15.703 58.638 -7.464 1.00 0.00 ATOM 1244 CD1 ILE A 154 16.148 57.232 -4.760 1.00 0.00 ATOM 1245 O ILE A 154 15.440 57.171 -9.984 1.00 0.00 ATOM 1246 C ILE A 154 16.063 56.453 -9.195 1.00 0.00 ATOM 1247 N PRO A 155 15.853 54.985 -9.071 1.00 0.00 ATOM 1248 CA PRO A 155 14.700 54.334 -9.703 1.00 0.00 ATOM 1249 CB PRO A 155 15.309 53.568 -10.881 1.00 0.00 ATOM 1250 CG PRO A 155 16.711 53.284 -10.457 1.00 0.00 ATOM 1251 CD PRO A 155 17.148 54.468 -9.640 1.00 0.00 ATOM 1252 O PRO A 155 14.553 53.262 -7.559 1.00 0.00 ATOM 1253 C PRO A 155 14.048 53.411 -8.677 1.00 0.00 ATOM 1254 N PHE A 156 12.933 52.772 -9.044 1.00 0.00 ATOM 1255 CA PHE A 156 12.183 52.012 -8.041 1.00 0.00 ATOM 1256 CB PHE A 156 10.908 51.431 -8.654 1.00 0.00 ATOM 1257 CG PHE A 156 10.016 50.745 -7.659 1.00 0.00 ATOM 1258 CD1 PHE A 156 9.263 51.482 -6.759 1.00 0.00 ATOM 1259 CD2 PHE A 156 9.926 49.365 -7.621 1.00 0.00 ATOM 1260 CE1 PHE A 156 8.443 50.852 -5.844 1.00 0.00 ATOM 1261 CE2 PHE A 156 9.105 48.735 -6.706 1.00 0.00 ATOM 1262 CZ PHE A 156 8.366 49.473 -5.819 1.00 0.00 ATOM 1263 O PHE A 156 12.754 50.505 -6.286 1.00 0.00 ATOM 1264 C PHE A 156 12.949 50.850 -7.455 1.00 0.00 ATOM 1265 N SER A 157 13.855 50.265 -8.234 1.00 0.00 ATOM 1266 CA SER A 157 14.583 49.119 -7.720 1.00 0.00 ATOM 1267 CB SER A 157 15.462 48.508 -8.813 1.00 0.00 ATOM 1268 OG SER A 157 16.498 49.398 -9.192 1.00 0.00 ATOM 1269 O SER A 157 15.818 48.647 -5.723 1.00 0.00 ATOM 1270 C SER A 157 15.504 49.496 -6.547 1.00 0.00 ATOM 1271 N GLU A 158 15.877 50.803 -6.482 1.00 0.00 ATOM 1272 CA GLU A 158 16.625 51.192 -5.285 1.00 0.00 ATOM 1273 CB GLU A 158 17.144 52.642 -5.549 1.00 0.00 ATOM 1274 CG GLU A 158 18.082 52.996 -4.396 1.00 0.00 ATOM 1275 CD GLU A 158 18.520 54.433 -4.581 1.00 0.00 ATOM 1276 OE1 GLU A 158 19.053 54.739 -5.664 1.00 0.00 ATOM 1277 OE2 GLU A 158 18.173 55.176 -3.650 1.00 0.00 ATOM 1278 O GLU A 158 16.392 50.581 -2.971 1.00 0.00 ATOM 1279 C GLU A 158 15.819 50.901 -4.014 1.00 0.00 ATOM 1280 N PHE A 159 14.487 51.062 -4.106 1.00 0.00 ATOM 1281 CA PHE A 159 13.634 50.777 -2.957 1.00 0.00 ATOM 1282 CB PHE A 159 12.224 51.105 -3.369 1.00 0.00 ATOM 1283 CG PHE A 159 11.163 50.804 -2.381 1.00 0.00 ATOM 1284 CD1 PHE A 159 10.926 51.694 -1.350 1.00 0.00 ATOM 1285 CD2 PHE A 159 10.380 49.654 -2.482 1.00 0.00 ATOM 1286 CE1 PHE A 159 9.900 51.439 -0.451 1.00 0.00 ATOM 1287 CE2 PHE A 159 9.348 49.374 -1.582 1.00 0.00 ATOM 1288 CZ PHE A 159 9.118 50.290 -0.556 1.00 0.00 ATOM 1289 O PHE A 159 13.911 48.904 -1.469 1.00 0.00 ATOM 1290 C PHE A 159 13.718 49.281 -2.628 1.00 0.00 ATOM 1291 N GLY A 160 13.599 48.442 -3.635 1.00 0.00 ATOM 1292 CA GLY A 160 13.677 47.002 -3.454 1.00 0.00 ATOM 1293 O GLY A 160 15.203 45.811 -2.024 1.00 0.00 ATOM 1294 C GLY A 160 15.062 46.637 -2.917 1.00 0.00 ATOM 1295 N TRP A 161 16.191 47.327 -3.323 1.00 0.00 ATOM 1296 CA TRP A 161 17.555 47.013 -2.850 1.00 0.00 ATOM 1297 CB TRP A 161 18.565 47.812 -3.677 1.00 0.00 ATOM 1298 CG TRP A 161 19.984 47.622 -3.236 1.00 0.00 ATOM 1299 CD1 TRP A 161 20.836 46.626 -3.618 1.00 0.00 ATOM 1300 CD2 TRP A 161 20.718 48.454 -2.328 1.00 0.00 ATOM 1301 CE2 TRP A 161 22.008 47.900 -2.207 1.00 0.00 ATOM 1302 CE3 TRP A 161 20.411 49.611 -1.606 1.00 0.00 ATOM 1303 NE1 TRP A 161 22.055 46.784 -3.005 1.00 0.00 ATOM 1304 CZ2 TRP A 161 22.990 48.464 -1.394 1.00 0.00 ATOM 1305 CZ3 TRP A 161 21.387 50.166 -0.801 1.00 0.00 ATOM 1306 CH2 TRP A 161 22.661 49.596 -0.700 1.00 0.00 ATOM 1307 O TRP A 161 18.231 46.711 -0.565 1.00 0.00 ATOM 1308 C TRP A 161 17.696 47.443 -1.397 1.00 0.00 ATOM 1309 N ALA A 162 17.214 48.643 -1.104 1.00 0.00 ATOM 1310 CA ALA A 162 17.290 49.145 0.266 1.00 0.00 ATOM 1311 CB ALA A 162 16.572 50.481 0.381 1.00 0.00 ATOM 1312 O ALA A 162 17.210 47.798 2.256 1.00 0.00 ATOM 1313 C ALA A 162 16.637 48.160 1.233 1.00 0.00 ATOM 1314 N ASP A 163 15.428 47.725 0.905 1.00 0.00 ATOM 1315 CA ASP A 163 14.708 46.833 1.804 1.00 0.00 ATOM 1316 CB ASP A 163 13.387 46.407 1.282 1.00 0.00 ATOM 1317 CG ASP A 163 12.371 47.526 1.385 1.00 0.00 ATOM 1318 OD1 ASP A 163 12.477 48.350 2.327 1.00 0.00 ATOM 1319 OD2 ASP A 163 11.454 47.568 0.541 1.00 0.00 ATOM 1320 O ASP A 163 15.722 45.136 3.179 1.00 0.00 ATOM 1321 C ASP A 163 15.481 45.534 2.037 1.00 0.00 ATOM 1322 N PHE A 164 15.886 44.879 0.953 1.00 0.00 ATOM 1323 CA PHE A 164 16.562 43.593 1.075 1.00 0.00 ATOM 1324 CB PHE A 164 16.820 42.959 -0.270 1.00 0.00 ATOM 1325 CG PHE A 164 15.576 42.507 -0.999 1.00 0.00 ATOM 1326 CD1 PHE A 164 14.295 42.711 -0.540 1.00 0.00 ATOM 1327 CD2 PHE A 164 15.707 41.830 -2.197 1.00 0.00 ATOM 1328 CE1 PHE A 164 13.199 42.280 -1.236 1.00 0.00 ATOM 1329 CE2 PHE A 164 14.613 41.410 -2.916 1.00 0.00 ATOM 1330 CZ PHE A 164 13.339 41.617 -2.440 1.00 0.00 ATOM 1331 O PHE A 164 18.225 42.920 2.693 1.00 0.00 ATOM 1332 C PHE A 164 17.913 43.715 1.801 1.00 0.00 ATOM 1333 N LEU A 165 18.708 44.727 1.434 1.00 0.00 ATOM 1334 CA LEU A 165 20.020 44.925 2.039 1.00 0.00 ATOM 1335 CB LEU A 165 20.784 46.050 1.339 1.00 0.00 ATOM 1336 CG LEU A 165 22.177 46.365 1.886 1.00 0.00 ATOM 1337 CD1 LEU A 165 23.089 45.153 1.762 1.00 0.00 ATOM 1338 CD2 LEU A 165 22.810 47.516 1.117 1.00 0.00 ATOM 1339 O LEU A 165 20.639 44.743 4.347 1.00 0.00 ATOM 1340 C LEU A 165 19.956 45.305 3.494 1.00 0.00 ATOM 1341 N ARG A 166 19.083 46.260 3.808 1.00 0.00 ATOM 1342 CA ARG A 166 18.905 46.643 5.175 1.00 0.00 ATOM 1343 CB ARG A 166 17.925 47.819 5.191 1.00 0.00 ATOM 1344 CG ARG A 166 17.727 48.442 6.562 1.00 0.00 ATOM 1345 CD ARG A 166 16.841 49.675 6.486 1.00 0.00 ATOM 1346 NE ARG A 166 16.640 50.287 7.797 1.00 0.00 ATOM 1347 CZ ARG A 166 15.858 51.339 8.019 1.00 0.00 ATOM 1348 NH1 ARG A 166 15.736 51.827 9.246 1.00 0.00 ATOM 1349 NH2 ARG A 166 15.198 51.898 7.014 1.00 0.00 ATOM 1350 O ARG A 166 18.762 45.452 7.253 1.00 0.00 ATOM 1351 C ARG A 166 18.351 45.547 6.091 1.00 0.00 ATOM 1352 N ARG A 167 17.457 44.700 5.572 1.00 0.00 ATOM 1353 CA ARG A 167 16.927 43.604 6.381 1.00 0.00 ATOM 1354 CB ARG A 167 15.856 42.834 5.606 1.00 0.00 ATOM 1355 CG ARG A 167 14.557 43.601 5.415 1.00 0.00 ATOM 1356 CD ARG A 167 13.567 42.809 4.576 1.00 0.00 ATOM 1357 NE ARG A 167 12.322 43.543 4.360 1.00 0.00 ATOM 1358 CZ ARG A 167 11.320 43.109 3.602 1.00 0.00 ATOM 1359 NH1 ARG A 167 10.227 43.845 3.464 1.00 0.00 ATOM 1360 NH2 ARG A 167 11.417 41.940 2.983 1.00 0.00 ATOM 1361 O ARG A 167 18.050 42.097 7.871 1.00 0.00 ATOM 1362 C ARG A 167 18.040 42.635 6.758 1.00 0.00 ATOM 1363 N ARG A 168 18.968 42.381 5.834 1.00 0.00 ATOM 1364 CA ARG A 168 20.128 41.574 6.170 1.00 0.00 ATOM 1365 CB ARG A 168 21.016 41.372 4.941 1.00 0.00 ATOM 1366 CG ARG A 168 20.419 40.450 3.889 1.00 0.00 ATOM 1367 CD ARG A 168 21.318 40.353 2.667 1.00 0.00 ATOM 1368 NE ARG A 168 20.744 39.491 1.634 1.00 0.00 ATOM 1369 CZ ARG A 168 21.290 39.295 0.439 1.00 0.00 ATOM 1370 NH1 ARG A 168 20.698 38.494 -0.436 1.00 0.00 ATOM 1371 NH2 ARG A 168 22.428 39.897 0.122 1.00 0.00 ATOM 1372 O ARG A 168 21.477 41.526 8.113 1.00 0.00 ATOM 1373 C ARG A 168 20.976 42.228 7.254 1.00 0.00 ATOM 1374 N ILE A 169 21.070 43.553 7.243 1.00 0.00 ATOM 1375 CA ILE A 169 21.772 44.268 8.310 1.00 0.00 ATOM 1376 CB ILE A 169 21.897 45.770 7.998 1.00 0.00 ATOM 1377 CG1 ILE A 169 22.837 45.993 6.811 1.00 0.00 ATOM 1378 CG2 ILE A 169 22.451 46.520 9.199 1.00 0.00 ATOM 1379 CD1 ILE A 169 22.817 47.405 6.271 1.00 0.00 ATOM 1380 O ILE A 169 21.743 43.923 10.689 1.00 0.00 ATOM 1381 C ILE A 169 21.075 44.053 9.658 1.00 0.00 ATOM 1382 N ASP A 170 19.736 44.024 9.659 1.00 0.00 ATOM 1383 CA ASP A 170 18.989 43.788 10.896 1.00 0.00 ATOM 1384 CB ASP A 170 17.477 43.837 10.659 1.00 0.00 ATOM 1385 CG ASP A 170 16.965 45.247 10.447 1.00 0.00 ATOM 1386 OD1 ASP A 170 17.725 46.201 10.718 1.00 0.00 ATOM 1387 OD2 ASP A 170 15.805 45.399 10.011 1.00 0.00 ATOM 1388 O ASP A 170 19.654 42.203 12.595 1.00 0.00 ATOM 1389 C ASP A 170 19.370 42.398 11.404 1.00 0.00 ATOM 1390 N ARG A 171 19.326 41.365 10.474 1.00 0.00 ATOM 1391 CA ARG A 171 19.720 39.999 10.804 1.00 0.00 ATOM 1392 CB ARG A 171 19.619 39.099 9.573 1.00 0.00 ATOM 1393 CG ARG A 171 18.194 38.801 9.135 1.00 0.00 ATOM 1394 CD ARG A 171 18.168 37.969 7.863 1.00 0.00 ATOM 1395 NE ARG A 171 16.805 37.679 7.427 1.00 0.00 ATOM 1396 CZ ARG A 171 16.500 37.036 6.305 1.00 0.00 ATOM 1397 NH1 ARG A 171 15.231 36.816 5.989 1.00 0.00 ATOM 1398 NH2 ARG A 171 17.465 36.615 5.499 1.00 0.00 ATOM 1399 O ARG A 171 21.461 39.334 12.325 1.00 0.00 ATOM 1400 C ARG A 171 21.155 39.960 11.308 1.00 0.00 ATOM 1401 N ASP A 172 22.088 40.534 10.545 1.00 0.00 ATOM 1402 CA ASP A 172 23.500 40.564 10.949 1.00 0.00 ATOM 1403 CB ASP A 172 24.232 39.741 9.887 1.00 0.00 ATOM 1404 CG ASP A 172 25.707 39.574 10.195 1.00 0.00 ATOM 1405 OD1 ASP A 172 26.172 40.145 11.203 1.00 0.00 ATOM 1406 OD2 ASP A 172 26.398 38.872 9.427 1.00 0.00 ATOM 1407 O ASP A 172 23.932 42.625 9.800 1.00 0.00 ATOM 1408 C ASP A 172 23.803 42.054 10.885 1.00 0.00 ATOM 1409 N LEU A 173 23.924 42.714 12.057 1.00 0.00 ATOM 1410 CA LEU A 173 24.174 44.148 12.149 1.00 0.00 ATOM 1411 CB LEU A 173 24.329 44.618 13.596 1.00 0.00 ATOM 1412 CG LEU A 173 23.070 44.564 14.465 1.00 0.00 ATOM 1413 CD1 LEU A 173 23.397 44.921 15.907 1.00 0.00 ATOM 1414 CD2 LEU A 173 22.024 45.544 13.956 1.00 0.00 ATOM 1415 O LEU A 173 25.386 45.797 10.923 1.00 0.00 ATOM 1416 C LEU A 173 25.423 44.682 11.433 1.00 0.00 ATOM 1417 N LEU A 174 26.387 43.887 11.387 1.00 0.00 ATOM 1418 CA LEU A 174 27.666 44.348 10.848 1.00 0.00 ATOM 1419 CB LEU A 174 28.829 43.739 11.634 1.00 0.00 ATOM 1420 CG LEU A 174 28.903 44.097 13.119 1.00 0.00 ATOM 1421 CD1 LEU A 174 30.040 43.345 13.796 1.00 0.00 ATOM 1422 CD2 LEU A 174 29.143 45.587 13.302 1.00 0.00 ATOM 1423 O LEU A 174 29.004 44.333 8.849 1.00 0.00 ATOM 1424 C LEU A 174 27.933 44.001 9.381 1.00 0.00 ATOM 1425 N SER A 175 26.971 43.363 8.707 1.00 0.00 ATOM 1426 CA SER A 175 27.265 42.761 7.405 1.00 0.00 ATOM 1427 CB SER A 175 26.068 41.945 6.910 1.00 0.00 ATOM 1428 OG SER A 175 24.960 42.784 6.629 1.00 0.00 ATOM 1429 O SER A 175 28.228 43.332 5.326 1.00 0.00 ATOM 1430 C SER A 175 27.586 43.740 6.293 1.00 0.00 ATOM 1431 N ASP A 176 27.090 45.033 6.450 1.00 0.00 ATOM 1432 CA ASP A 176 27.394 46.033 5.401 1.00 0.00 ATOM 1433 CB ASP A 176 26.259 47.053 5.287 1.00 0.00 ATOM 1434 CG ASP A 176 26.064 47.852 6.561 1.00 0.00 ATOM 1435 OD1 ASP A 176 26.719 47.526 7.573 1.00 0.00 ATOM 1436 OD2 ASP A 176 25.256 48.805 6.545 1.00 0.00 ATOM 1437 O ASP A 176 29.163 47.544 4.806 1.00 0.00 ATOM 1438 C ASP A 176 28.673 46.813 5.680 1.00 0.00 ATOM 1439 N SER A 177 29.232 46.657 6.879 1.00 0.00 ATOM 1440 CA SER A 177 30.373 47.486 7.296 1.00 0.00 ATOM 1441 CB SER A 177 30.795 47.138 8.724 1.00 0.00 ATOM 1442 OG SER A 177 31.299 45.815 8.799 1.00 0.00 ATOM 1443 O SER A 177 32.486 48.136 6.366 1.00 0.00 ATOM 1444 C SER A 177 31.632 47.255 6.461 1.00 0.00 ATOM 1445 N PHE A 178 31.756 46.094 5.833 1.00 0.00 ATOM 1446 CA PHE A 178 32.938 45.792 5.024 1.00 0.00 ATOM 1447 CB PHE A 178 33.092 44.279 4.857 1.00 0.00 ATOM 1448 CG PHE A 178 33.582 43.580 6.092 1.00 0.00 ATOM 1449 CD1 PHE A 178 32.701 42.908 6.921 1.00 0.00 ATOM 1450 CD2 PHE A 178 34.925 43.595 6.427 1.00 0.00 ATOM 1451 CE1 PHE A 178 33.151 42.265 8.058 1.00 0.00 ATOM 1452 CE2 PHE A 178 35.376 42.952 7.565 1.00 0.00 ATOM 1453 CZ PHE A 178 34.496 42.289 8.378 1.00 0.00 ATOM 1454 O PHE A 178 33.778 46.338 2.863 1.00 0.00 ATOM 1455 C PHE A 178 32.813 46.386 3.632 1.00 0.00 ATOM 1456 N ASP A 179 31.632 46.922 3.306 1.00 0.00 ATOM 1457 CA ASP A 179 31.333 47.378 1.942 1.00 0.00 ATOM 1458 CB ASP A 179 30.221 46.528 1.322 1.00 0.00 ATOM 1459 CG ASP A 179 30.615 45.072 1.173 1.00 0.00 ATOM 1460 OD1 ASP A 179 31.539 44.785 0.383 1.00 0.00 ATOM 1461 OD2 ASP A 179 30.001 44.218 1.846 1.00 0.00 ATOM 1462 O ASP A 179 29.674 49.115 2.084 1.00 0.00 ATOM 1463 C ASP A 179 30.873 48.832 2.066 1.00 0.00 ATOM 1464 N ASP A 180 31.923 49.753 2.097 1.00 0.00 ATOM 1465 CA ASP A 180 31.630 51.181 2.207 1.00 0.00 ATOM 1466 CB ASP A 180 32.898 52.038 2.176 1.00 0.00 ATOM 1467 CG ASP A 180 33.716 51.911 3.446 1.00 0.00 ATOM 1468 OD1 ASP A 180 33.195 51.356 4.436 1.00 0.00 ATOM 1469 OD2 ASP A 180 34.879 52.368 3.450 1.00 0.00 ATOM 1470 O ASP A 180 29.806 52.467 1.347 1.00 0.00 ATOM 1471 C ASP A 180 30.716 51.680 1.092 1.00 0.00 ATOM 1472 N ALA A 181 30.952 51.242 -0.140 1.00 0.00 ATOM 1473 CA ALA A 181 30.087 51.675 -1.234 1.00 0.00 ATOM 1474 CB ALA A 181 30.542 51.052 -2.546 1.00 0.00 ATOM 1475 O ALA A 181 27.669 52.042 -1.176 1.00 0.00 ATOM 1476 C ALA A 181 28.638 51.261 -0.950 1.00 0.00 ATOM 1477 N LEU A 182 28.470 50.046 -0.437 1.00 0.00 ATOM 1478 CA LEU A 182 27.131 49.562 -0.137 1.00 0.00 ATOM 1479 CB LEU A 182 27.239 48.061 0.087 1.00 0.00 ATOM 1480 CG LEU A 182 27.693 47.256 -1.138 1.00 0.00 ATOM 1481 CD1 LEU A 182 27.853 45.791 -0.743 1.00 0.00 ATOM 1482 CD2 LEU A 182 26.671 47.444 -2.244 1.00 0.00 ATOM 1483 O LEU A 182 25.302 50.521 1.057 1.00 0.00 ATOM 1484 C LEU A 182 26.499 50.240 1.071 1.00 0.00 ATOM 1485 N ALA A 183 27.284 50.490 2.116 1.00 0.00 ATOM 1486 CA ALA A 183 26.754 51.164 3.298 1.00 0.00 ATOM 1487 CB ALA A 183 27.819 51.250 4.381 1.00 0.00 ATOM 1488 O ALA A 183 25.220 53.021 3.269 1.00 0.00 ATOM 1489 C ALA A 183 26.315 52.576 2.911 1.00 0.00 ATOM 1490 N GLU A 184 27.153 53.260 2.144 1.00 0.00 ATOM 1491 CA GLU A 184 26.829 54.609 1.712 1.00 0.00 ATOM 1492 CB GLU A 184 27.985 55.208 0.910 1.00 0.00 ATOM 1493 CG GLU A 184 29.212 55.540 1.745 1.00 0.00 ATOM 1494 CD GLU A 184 30.379 56.016 0.903 1.00 0.00 ATOM 1495 OE1 GLU A 184 30.254 56.014 -0.340 1.00 0.00 ATOM 1496 OE2 GLU A 184 31.420 56.388 1.485 1.00 0.00 ATOM 1497 O GLU A 184 24.712 55.466 0.962 1.00 0.00 ATOM 1498 C GLU A 184 25.575 54.595 0.838 1.00 0.00 ATOM 1499 N ALA A 185 25.494 53.602 -0.058 1.00 0.00 ATOM 1500 CA ALA A 185 24.356 53.502 -0.967 1.00 0.00 ATOM 1501 CB ALA A 185 24.508 52.315 -1.906 1.00 0.00 ATOM 1502 O ALA A 185 22.078 53.994 -0.413 1.00 0.00 ATOM 1503 C ALA A 185 23.078 53.324 -0.157 1.00 0.00 ATOM 1504 N MET A 186 23.093 52.409 0.808 1.00 0.00 ATOM 1505 CA MET A 186 21.893 52.173 1.594 1.00 0.00 ATOM 1506 CB MET A 186 22.137 51.071 2.626 1.00 0.00 ATOM 1507 CG MET A 186 20.923 50.740 3.481 1.00 0.00 ATOM 1508 SD MET A 186 21.256 49.446 4.692 1.00 0.00 ATOM 1509 CE MET A 186 22.268 50.340 5.869 1.00 0.00 ATOM 1510 O MET A 186 20.276 53.735 2.400 1.00 0.00 ATOM 1511 C MET A 186 21.466 53.425 2.338 1.00 0.00 ATOM 1512 N LYS A 187 22.444 54.152 2.883 1.00 0.00 ATOM 1513 CA LYS A 187 22.151 55.375 3.621 1.00 0.00 ATOM 1514 CB LYS A 187 23.422 55.926 4.269 1.00 0.00 ATOM 1515 CG LYS A 187 23.945 55.087 5.425 1.00 0.00 ATOM 1516 CD LYS A 187 25.202 55.695 6.024 1.00 0.00 ATOM 1517 CE LYS A 187 25.743 54.838 7.158 1.00 0.00 ATOM 1518 NZ LYS A 187 26.990 55.408 7.738 1.00 0.00 ATOM 1519 O LYS A 187 20.630 57.143 3.050 1.00 0.00 ATOM 1520 C LYS A 187 21.576 56.439 2.690 1.00 0.00 ATOM 1521 N LEU A 188 22.134 56.551 1.488 1.00 0.00 ATOM 1522 CA LEU A 188 21.630 57.527 0.521 1.00 0.00 ATOM 1523 CB LEU A 188 22.509 57.540 -0.733 1.00 0.00 ATOM 1524 CG LEU A 188 23.823 58.311 -0.587 1.00 0.00 ATOM 1525 CD1 LEU A 188 24.740 58.023 -1.773 1.00 0.00 ATOM 1526 CD2 LEU A 188 23.514 59.802 -0.483 1.00 0.00 ATOM 1527 O LEU A 188 19.384 58.105 -0.075 1.00 0.00 ATOM 1528 C LEU A 188 20.200 57.201 0.106 1.00 0.00 ATOM 1529 N ALA A 189 19.888 55.916 -0.046 1.00 0.00 ATOM 1530 CA ALA A 189 18.538 55.500 -0.418 1.00 0.00 ATOM 1531 CB ALA A 189 18.515 53.990 -0.669 1.00 0.00 ATOM 1532 O ALA A 189 16.413 56.241 0.413 1.00 0.00 ATOM 1533 C ALA A 189 17.564 55.857 0.690 1.00 0.00 ATOM 1534 N LYS A 190 17.979 55.742 1.929 1.00 0.00 ATOM 1535 CA LYS A 190 17.128 56.118 3.074 1.00 0.00 ATOM 1536 CB LYS A 190 17.830 55.804 4.396 1.00 0.00 ATOM 1537 CG LYS A 190 16.994 56.102 5.631 1.00 0.00 ATOM 1538 CD LYS A 190 17.720 55.693 6.901 1.00 0.00 ATOM 1539 CE LYS A 190 16.896 56.018 8.136 1.00 0.00 ATOM 1540 NZ LYS A 190 17.601 55.637 9.391 1.00 0.00 ATOM 1541 O LYS A 190 15.651 58.004 3.282 1.00 0.00 ATOM 1542 C LYS A 190 16.796 57.609 3.050 1.00 0.00 ATOM 1543 N SER A 191 17.798 58.436 2.765 1.00 0.00 ATOM 1544 CA SER A 191 17.598 59.880 2.716 1.00 0.00 ATOM 1545 CB SER A 191 18.931 60.600 2.500 1.00 0.00 ATOM 1546 OG SER A 191 19.790 60.426 3.615 1.00 0.00 ATOM 1547 O SER A 191 15.806 61.137 1.722 1.00 0.00 ATOM 1548 C SER A 191 16.661 60.257 1.572 1.00 0.00 ATOM 1549 N ARG A 192 16.827 59.602 0.429 1.00 0.00 ATOM 1550 CA ARG A 192 15.978 59.873 -0.722 1.00 0.00 ATOM 1551 CB ARG A 192 16.433 59.049 -1.929 1.00 0.00 ATOM 1552 CG ARG A 192 17.756 59.502 -2.527 1.00 0.00 ATOM 1553 CD ARG A 192 18.169 58.615 -3.689 1.00 0.00 ATOM 1554 NE ARG A 192 19.465 59.006 -4.243 1.00 0.00 ATOM 1555 CZ ARG A 192 20.080 58.361 -5.228 1.00 0.00 ATOM 1556 NH1 ARG A 192 21.256 58.790 -5.668 1.00 0.00 ATOM 1557 NH2 ARG A 192 19.521 57.288 -5.770 1.00 0.00 ATOM 1558 O ARG A 192 13.621 60.301 -0.702 1.00 0.00 ATOM 1559 C ARG A 192 14.531 59.524 -0.413 1.00 0.00 ATOM 1560 N GLU A 193 14.309 58.349 0.177 1.00 0.00 ATOM 1561 CA GLU A 193 12.965 57.930 0.521 1.00 0.00 ATOM 1562 CB GLU A 193 12.914 56.534 1.041 1.00 0.00 ATOM 1563 CG GLU A 193 11.561 56.139 1.594 1.00 0.00 ATOM 1564 CD GLU A 193 11.520 54.695 2.038 1.00 0.00 ATOM 1565 OE1 GLU A 193 12.486 54.250 2.696 1.00 0.00 ATOM 1566 OE2 GLU A 193 10.521 54.009 1.734 1.00 0.00 ATOM 1567 O GLU A 193 11.280 59.293 1.582 1.00 0.00 ATOM 1568 C GLU A 193 12.428 58.838 1.638 1.00 0.00 ATOM 1569 N ALA A 194 13.286 59.175 2.609 1.00 0.00 ATOM 1570 CA ALA A 194 12.940 60.100 3.686 1.00 0.00 ATOM 1571 CB ALA A 194 14.115 60.189 4.673 1.00 0.00 ATOM 1572 O ALA A 194 11.670 62.132 3.670 1.00 0.00 ATOM 1573 C ALA A 194 12.591 61.494 3.156 1.00 0.00 ATOM 1574 N ARG A 195 13.277 61.960 2.101 1.00 0.00 ATOM 1575 CA ARG A 195 13.007 63.263 1.490 1.00 0.00 ATOM 1576 CB ARG A 195 14.066 63.719 0.533 1.00 0.00 ATOM 1577 CG ARG A 195 15.411 63.908 1.201 1.00 0.00 ATOM 1578 CD ARG A 195 16.496 64.420 0.190 1.00 0.00 ATOM 1579 NE ARG A 195 17.829 64.269 0.763 1.00 0.00 ATOM 1580 CZ ARG A 195 18.428 65.107 1.650 1.00 0.00 ATOM 1581 NH1 ARG A 195 17.896 66.288 1.930 1.00 0.00 ATOM 1582 NH2 ARG A 195 19.601 64.678 2.017 1.00 0.00 ATOM 1583 O ARG A 195 11.143 64.397 0.397 1.00 0.00 ATOM 1584 C ARG A 195 11.673 63.325 0.750 1.00 0.00 ATOM 1585 N HIS A 196 11.167 62.141 0.505 1.00 0.00 ATOM 1586 CA HIS A 196 9.863 61.973 -0.138 1.00 0.00 ATOM 1587 CB HIS A 196 9.978 61.124 -1.396 1.00 0.00 ATOM 1588 CG HIS A 196 10.948 61.692 -2.411 1.00 0.00 ATOM 1589 CD2 HIS A 196 12.007 61.149 -2.984 1.00 0.00 ATOM 1590 ND1 HIS A 196 10.820 62.977 -2.901 1.00 0.00 ATOM 1591 CE1 HIS A 196 11.814 63.167 -3.752 1.00 0.00 ATOM 1592 NE2 HIS A 196 12.573 62.080 -3.820 1.00 0.00 ATOM 1593 O HIS A 196 7.594 61.342 0.345 1.00 0.00 ATOM 1594 C HIS A 196 8.717 61.585 0.790 1.00 0.00 ATOM 1595 N LEU A 197 9.031 61.535 2.105 1.00 0.00 ATOM 1596 CA LEU A 197 8.035 61.188 3.088 1.00 0.00 ATOM 1597 CB LEU A 197 8.664 61.099 4.480 1.00 0.00 ATOM 1598 CG LEU A 197 7.718 60.754 5.631 1.00 0.00 ATOM 1599 CD1 LEU A 197 7.095 59.381 5.422 1.00 0.00 ATOM 1600 CD2 LEU A 197 8.464 60.740 6.956 1.00 0.00 ATOM 1601 O LEU A 197 5.737 61.834 3.084 1.00 0.00 ATOM 1602 C LEU A 197 6.916 62.193 3.170 1.00 0.00 ATOM 1603 N PRO A 198 7.254 63.545 3.320 1.00 0.00 ATOM 1604 CA PRO A 198 6.131 64.522 3.297 1.00 0.00 ATOM 1605 CB PRO A 198 6.814 65.876 3.496 1.00 0.00 ATOM 1606 CG PRO A 198 8.050 65.561 4.272 1.00 0.00 ATOM 1607 CD PRO A 198 8.558 64.254 3.732 1.00 0.00 ATOM 1608 O PRO A 198 4.134 64.713 2.010 1.00 0.00 ATOM 1609 C PRO A 198 5.343 64.517 2.006 1.00 0.00 ATOM 1610 N GLY A 199 5.987 64.303 0.863 1.00 0.00 ATOM 1611 CA GLY A 199 5.287 64.262 -0.403 1.00 0.00 ATOM 1612 O GLY A 199 3.257 63.211 -1.098 1.00 0.00 ATOM 1613 C GLY A 199 4.334 63.097 -0.528 1.00 0.00 ATOM 1614 N TRP A 200 4.745 61.926 -0.025 1.00 0.00 ATOM 1615 CA TRP A 200 3.867 60.763 -0.071 1.00 0.00 ATOM 1616 CB TRP A 200 4.576 59.531 0.494 1.00 0.00 ATOM 1617 CG TRP A 200 5.671 59.012 -0.388 1.00 0.00 ATOM 1618 CD1 TRP A 200 5.927 59.379 -1.678 1.00 0.00 ATOM 1619 CD2 TRP A 200 6.659 58.033 -0.043 1.00 0.00 ATOM 1620 CE2 TRP A 200 7.481 57.856 -1.174 1.00 0.00 ATOM 1621 CE3 TRP A 200 6.930 57.291 1.109 1.00 0.00 ATOM 1622 NE1 TRP A 200 7.013 58.688 -2.159 1.00 0.00 ATOM 1623 CZ2 TRP A 200 8.553 56.964 -1.185 1.00 0.00 ATOM 1624 CZ3 TRP A 200 7.993 56.409 1.094 1.00 0.00 ATOM 1625 CH2 TRP A 200 8.794 56.251 -0.043 1.00 0.00 ATOM 1626 O TRP A 200 1.510 60.789 0.340 1.00 0.00 ATOM 1627 C TRP A 200 2.618 61.060 0.767 1.00 0.00 ATOM 1628 N CYS A 201 2.786 61.639 1.943 1.00 0.00 ATOM 1629 CA CYS A 201 1.683 61.928 2.836 1.00 0.00 ATOM 1630 CB CYS A 201 0.780 63.011 2.239 1.00 0.00 ATOM 1631 SG CYS A 201 -0.383 63.744 3.413 1.00 0.00 ATOM 1632 O CYS A 201 -0.374 60.723 3.110 1.00 0.00 ATOM 1633 C CYS A 201 0.850 60.677 3.074 1.00 0.00 ATOM 1634 N GLY A 202 1.560 59.556 3.120 1.00 0.00 ATOM 1635 CA GLY A 202 0.967 58.265 3.459 1.00 0.00 ATOM 1636 O GLY A 202 -0.291 56.516 2.467 1.00 0.00 ATOM 1637 C GLY A 202 0.306 57.594 2.282 1.00 0.00 ATOM 1638 N VAL A 203 0.428 58.174 1.088 1.00 0.00 ATOM 1639 CA VAL A 203 -0.266 57.713 -0.113 1.00 0.00 ATOM 1640 CB VAL A 203 -1.249 58.775 -0.640 1.00 0.00 ATOM 1641 CG1 VAL A 203 -1.925 58.290 -1.914 1.00 0.00 ATOM 1642 CG2 VAL A 203 -2.324 59.067 0.394 1.00 0.00 ATOM 1643 O VAL A 203 1.646 58.197 -1.477 1.00 0.00 ATOM 1644 C VAL A 203 0.749 57.412 -1.219 1.00 0.00 ATOM 1645 N GLU A 204 0.603 56.229 -1.844 1.00 0.00 ATOM 1646 CA GLU A 204 1.573 55.873 -2.880 1.00 0.00 ATOM 1647 CB GLU A 204 1.414 54.405 -3.281 1.00 0.00 ATOM 1648 CG GLU A 204 2.443 53.924 -4.292 1.00 0.00 ATOM 1649 CD GLU A 204 2.268 52.460 -4.646 1.00 0.00 ATOM 1650 OE1 GLU A 204 1.340 51.823 -4.104 1.00 0.00 ATOM 1651 OE2 GLU A 204 3.061 51.949 -5.465 1.00 0.00 ATOM 1652 O GLU A 204 0.271 56.745 -4.682 1.00 0.00 ATOM 1653 C GLU A 204 1.357 56.743 -4.104 1.00 0.00 ATOM 1654 N GLU A 205 2.394 57.505 -4.480 1.00 0.00 ATOM 1655 CA GLU A 205 2.276 58.376 -5.648 1.00 0.00 ATOM 1656 CB GLU A 205 1.893 59.794 -5.223 1.00 0.00 ATOM 1657 CG GLU A 205 0.524 59.899 -4.569 1.00 0.00 ATOM 1658 CD GLU A 205 0.145 61.328 -4.237 1.00 0.00 ATOM 1659 OE1 GLU A 205 0.910 61.991 -3.504 1.00 0.00 ATOM 1660 OE2 GLU A 205 -0.917 61.786 -4.708 1.00 0.00 ATOM 1661 O GLU A 205 4.631 58.027 -5.826 1.00 0.00 ATOM 1662 C GLU A 205 3.604 58.436 -6.399 1.00 0.00 ENDMDL EXPDTA 2hwjA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hwjA ATOM 1 N ILE 4 15.314 13.887 -4.819 1.00 0.00 ATOM 2 CA ILE 4 14.948 14.944 -5.837 1.00 0.00 ATOM 3 CB ILE 4 13.474 14.762 -6.339 1.00 0.00 ATOM 4 O ILE 4 14.528 17.353 -5.771 1.00 0.00 ATOM 5 C ILE 4 15.243 16.420 -5.391 1.00 0.00 ATOM 6 N TYR 5 16.234 16.548 -4.493 1.00 0.00 ATOM 7 CA TYR 5 17.244 17.652 -4.280 1.00 0.00 ATOM 8 CB TYR 5 18.598 17.230 -4.795 1.00 0.00 ATOM 9 O TYR 5 18.207 19.753 -4.526 1.00 0.00 ATOM 10 C TYR 5 17.133 19.122 -4.557 1.00 0.00 ATOM 11 N GLU 6 15.942 19.634 -4.930 1.00 0.00 ATOM 12 CA GLU 6 15.460 21.031 -4.705 1.00 0.00 ATOM 13 CB GLU 6 16.100 21.744 -3.491 1.00 0.00 ATOM 14 CG GLU 6 15.426 21.303 -2.156 1.00 0.00 ATOM 15 CD GLU 6 14.876 19.836 -2.221 1.00 0.00 ATOM 16 OE1 GLU 6 15.544 18.860 -1.722 1.00 0.00 ATOM 17 OE2 GLU 6 13.774 19.673 -2.811 1.00 0.00 ATOM 18 O GLU 6 14.120 21.445 -6.627 1.00 0.00 ATOM 19 C GLU 6 14.873 21.945 -5.798 1.00 0.00 ATOM 20 N PRO 7 15.136 23.279 -5.768 1.00 0.00 ATOM 21 CA PRO 7 14.088 24.095 -6.271 1.00 0.00 ATOM 22 CB PRO 7 14.588 25.505 -5.981 1.00 0.00 ATOM 23 CG PRO 7 16.021 25.410 -5.939 1.00 0.00 ATOM 24 CD PRO 7 16.326 24.080 -5.425 1.00 0.00 ATOM 25 O PRO 7 14.808 23.308 -8.432 1.00 0.00 ATOM 26 C PRO 7 13.904 23.845 -7.764 1.00 0.00 ATOM 27 N ARG 8 12.718 24.198 -8.270 1.00 0.00 ATOM 28 CA ARG 8 12.353 23.795 -9.624 1.00 0.00 ATOM 29 CB ARG 8 11.310 22.696 -9.622 1.00 0.00 ATOM 30 CG ARG 8 11.842 21.342 -9.217 1.00 0.00 ATOM 31 CD ARG 8 10.800 20.229 -9.430 1.00 0.00 ATOM 32 NE ARG 8 11.158 18.967 -8.780 1.00 0.00 ATOM 33 CZ ARG 8 11.445 17.855 -9.440 1.00 0.00 ATOM 34 NH1 ARG 8 11.405 17.889 -10.764 1.00 0.00 ATOM 35 NH2 ARG 8 11.768 16.717 -8.805 1.00 0.00 ATOM 36 O ARG 8 11.345 25.935 -9.572 1.00 0.00 ATOM 37 C ARG 8 11.785 25.009 -10.263 1.00 0.00 ATOM 38 N LEU 9 11.808 25.030 -11.587 1.00 0.00 ATOM 39 CA LEU 9 11.233 26.130 -12.330 1.00 0.00 ATOM 40 CB LEU 9 11.773 26.090 -13.734 1.00 0.00 ATOM 41 CG LEU 9 11.243 27.201 -14.629 1.00 0.00 ATOM 42 CD1 LEU 9 11.777 28.536 -14.130 1.00 0.00 ATOM 43 CD2 LEU 9 11.613 26.997 -16.060 1.00 0.00 ATOM 44 O LEU 9 9.222 24.865 -12.674 1.00 0.00 ATOM 45 C LEU 9 9.718 25.973 -12.408 1.00 0.00 ATOM 46 N SER 10 8.987 27.063 -12.182 1.00 0.00 ATOM 47 CA SER 10 7.608 27.092 -12.618 1.00 0.00 ATOM 48 CB SER 10 6.583 26.683 -11.568 1.00 0.00 ATOM 49 OG SER 10 6.967 27.153 -10.329 1.00 0.00 ATOM 50 O SER 10 8.202 29.172 -13.493 1.00 0.00 ATOM 51 C SER 10 7.287 28.417 -13.149 1.00 0.00 ATOM 52 N ARG 11 5.989 28.711 -13.181 1.00 0.00 ATOM 53 CA ARG 11 5.395 29.629 -14.128 1.00 0.00 ATOM 54 CB ARG 11 5.189 28.879 -15.409 1.00 0.00 ATOM 55 CG ARG 11 4.685 29.728 -16.592 1.00 0.00 ATOM 56 CD ARG 11 5.773 30.612 -17.048 1.00 0.00 ATOM 57 NE ARG 11 5.523 31.206 -18.346 1.00 0.00 ATOM 58 CZ ARG 11 4.763 30.690 -19.299 1.00 0.00 ATOM 59 NH1 ARG 11 4.148 29.528 -19.105 1.00 0.00 ATOM 60 NH2 ARG 11 4.628 31.371 -20.432 1.00 0.00 ATOM 61 O ARG 11 3.199 29.198 -13.468 1.00 0.00 ATOM 62 C ARG 11 4.033 30.027 -13.644 1.00 0.00 ATOM 63 N ILE 12 3.787 31.307 -13.461 1.00 0.00 ATOM 64 CA ILE 12 2.531 31.770 -12.947 1.00 0.00 ATOM 65 CB ILE 12 2.631 32.026 -11.445 1.00 0.00 ATOM 66 CG1 ILE 12 1.254 32.093 -10.753 1.00 0.00 ATOM 67 CG2 ILE 12 3.338 33.293 -11.204 1.00 0.00 ATOM 68 CD1 ILE 12 1.373 31.836 -9.274 1.00 0.00 ATOM 69 O ILE 12 3.003 33.840 -14.136 1.00 0.00 ATOM 70 C ILE 12 2.130 33.055 -13.632 1.00 0.00 ATOM 71 N ALA 13 0.814 33.269 -13.610 1.00 0.00 ATOM 72 CA ALA 13 0.209 34.476 -14.122 1.00 0.00 ATOM 73 CB ALA 13 -1.248 34.302 -14.285 1.00 0.00 ATOM 74 O ALA 13 0.054 35.287 -11.873 1.00 0.00 ATOM 75 C ALA 13 0.441 35.493 -13.055 1.00 0.00 ATOM 76 N ILE 14 1.030 36.604 -13.462 1.00 0.00 ATOM 77 CA ILE 14 1.234 37.685 -12.542 1.00 0.00 ATOM 78 CB ILE 14 1.902 38.895 -13.225 1.00 0.00 ATOM 79 CG1 ILE 14 3.351 38.563 -13.640 1.00 0.00 ATOM 80 CG2 ILE 14 1.862 40.109 -12.264 1.00 0.00 ATOM 81 CD1 ILE 14 3.817 39.482 -14.729 1.00 0.00 ATOM 82 O ILE 14 -0.077 38.526 -10.698 1.00 0.00 ATOM 83 C ILE 14 -0.071 38.129 -11.860 1.00 0.00 ATOM 84 N ASP 15 -1.191 38.036 -12.546 1.00 0.00 ATOM 85 CA ASP 15 -2.392 38.460 -11.861 1.00 0.00 ATOM 86 CB ASP 15 -3.523 38.672 -12.879 1.00 0.00 ATOM 87 CG ASP 15 -4.015 37.377 -13.443 1.00 0.00 ATOM 88 OD1 ASP 15 -4.002 36.388 -12.691 1.00 0.00 ATOM 89 OD2 ASP 15 -4.427 37.299 -14.635 1.00 0.00 ATOM 90 O ASP 15 -3.743 37.547 -10.089 1.00 0.00 ATOM 91 C ASP 15 -2.743 37.447 -10.720 1.00 0.00 ATOM 92 N LYS 16 -1.936 36.422 -10.518 1.00 0.00 ATOM 93 CA LYS 16 -2.298 35.399 -9.556 1.00 0.00 ATOM 94 CB LYS 16 -2.350 34.011 -10.216 1.00 0.00 ATOM 95 CG LYS 16 -3.518 33.842 -11.148 1.00 0.00 ATOM 96 CD LYS 16 -4.626 32.926 -10.589 1.00 0.00 ATOM 97 CE LYS 16 -5.918 32.960 -11.453 1.00 0.00 ATOM 98 NZ LYS 16 -6.684 34.293 -11.238 1.00 0.00 ATOM 99 O LYS 16 -1.648 34.776 -7.403 1.00 0.00 ATOM 100 C LYS 16 -1.340 35.396 -8.366 1.00 0.00 ATOM 101 N LEU 17 -0.204 36.113 -8.440 1.00 0.00 ATOM 102 CA LEU 17 0.723 36.207 -7.332 1.00 0.00 ATOM 103 CB LEU 17 2.020 36.859 -7.702 1.00 0.00 ATOM 104 CG LEU 17 2.992 35.951 -8.398 1.00 0.00 ATOM 105 CD1 LEU 17 3.946 36.820 -9.237 1.00 0.00 ATOM 106 CD2 LEU 17 3.717 35.178 -7.345 1.00 0.00 ATOM 107 O LEU 17 -0.315 38.091 -6.392 1.00 0.00 ATOM 108 C LEU 17 0.206 37.006 -6.217 1.00 0.00 ATOM 109 N ARG 18 0.425 36.509 -5.032 1.00 0.00 ATOM 110 CA ARG 18 -0.019 37.221 -3.908 1.00 0.00 ATOM 111 CB ARG 18 -0.631 36.224 -2.942 1.00 0.00 ATOM 112 CG ARG 18 -1.948 35.755 -3.452 1.00 0.00 ATOM 113 CD ARG 18 -3.090 36.361 -2.703 1.00 0.00 ATOM 114 NE ARG 18 -4.125 35.330 -2.590 1.00 0.00 ATOM 115 CZ ARG 18 -5.328 35.353 -3.178 1.00 0.00 ATOM 116 NH1 ARG 18 -5.755 36.424 -3.860 1.00 0.00 ATOM 117 NH2 ARG 18 -6.150 34.308 -3.030 1.00 0.00 ATOM 118 O ARG 18 2.101 37.430 -2.891 1.00 0.00 ATOM 119 C ARG 18 1.152 38.006 -3.317 1.00 0.00 ATOM 120 N PRO 19 1.069 39.330 -3.290 1.00 0.00 ATOM 121 CA PRO 19 2.071 40.223 -2.725 1.00 0.00 ATOM 122 CB PRO 19 1.353 41.587 -2.687 1.00 0.00 ATOM 123 CG PRO 19 0.337 41.512 -3.697 1.00 0.00 ATOM 124 CD PRO 19 -0.066 40.055 -3.879 1.00 0.00 ATOM 125 O PRO 19 1.658 39.225 -0.612 1.00 0.00 ATOM 126 C PRO 19 2.453 39.880 -1.278 1.00 0.00 ATOM 127 N THR 20 3.603 40.378 -0.761 1.00 0.00 ATOM 128 CA THR 20 3.802 40.219 0.645 1.00 0.00 ATOM 129 CB THR 20 4.793 38.981 0.981 1.00 0.00 ATOM 130 CG2 THR 20 4.267 37.597 0.465 1.00 0.00 ATOM 131 OG1 THR 20 6.085 39.216 0.450 1.00 0.00 ATOM 132 O THR 20 4.734 41.547 2.406 1.00 0.00 ATOM 133 C THR 20 4.191 41.511 1.295 1.00 0.00 ATOM 134 N GLN 21 3.892 42.614 0.634 1.00 0.00 ATOM 135 CA GLN 21 4.124 43.994 1.164 1.00 0.00 ATOM 136 CB GLN 21 5.551 44.485 0.861 1.00 0.00 ATOM 137 CG GLN 21 5.879 44.732 -0.605 1.00 0.00 ATOM 138 CD GLN 21 7.347 44.909 -0.833 1.00 0.00 ATOM 139 OE1 GLN 21 8.090 44.027 -0.494 1.00 0.00 ATOM 140 NE2 GLN 21 7.783 46.024 -1.459 1.00 0.00 ATOM 141 O GLN 21 2.437 44.644 -0.442 1.00 0.00 ATOM 142 C GLN 21 3.079 44.930 0.583 1.00 0.00 ATOM 143 N ILE 22 2.890 46.063 1.228 1.00 0.00 ATOM 144 CA ILE 22 1.817 46.974 0.917 1.00 0.00 ATOM 145 CB ILE 22 1.337 47.603 2.206 1.00 0.00 ATOM 146 CG1 ILE 22 0.684 46.511 3.030 1.00 0.00 ATOM 147 CG2 ILE 22 0.273 48.612 1.940 1.00 0.00 ATOM 148 CD1 ILE 22 0.423 46.856 4.362 1.00 0.00 ATOM 149 O ILE 22 1.473 48.440 -0.902 1.00 0.00 ATOM 150 C ILE 22 2.270 47.998 -0.087 1.00 0.00 ATOM 151 N ALA 23 3.570 48.333 -0.093 1.00 0.00 ATOM 152 CA ALA 23 4.033 49.500 -0.879 1.00 0.00 ATOM 153 CB ALA 23 4.129 50.771 -0.030 1.00 0.00 ATOM 154 O ALA 23 6.006 48.338 -1.354 1.00 0.00 ATOM 155 C ALA 23 5.290 49.257 -1.662 1.00 0.00 ATOM 156 N VAL 24 5.493 50.054 -2.713 1.00 0.00 ATOM 157 CA VAL 24 6.735 50.110 -3.468 1.00 0.00 ATOM 158 CB VAL 24 6.683 49.245 -4.741 1.00 0.00 ATOM 159 CG1 VAL 24 6.716 47.764 -4.434 1.00 0.00 ATOM 160 CG2 VAL 24 5.394 49.593 -5.605 1.00 0.00 ATOM 161 O VAL 24 5.959 52.371 -3.774 1.00 0.00 ATOM 162 C VAL 24 6.883 51.555 -3.928 1.00 0.00 ATOM 163 N GLY 25 8.029 51.884 -4.512 1.00 0.00 ATOM 164 CA GLY 25 8.318 53.232 -4.953 1.00 0.00 ATOM 165 O GLY 25 8.701 52.574 -7.204 1.00 0.00 ATOM 166 C GLY 25 8.024 53.224 -6.426 1.00 0.00 ATOM 167 N PHE 26 6.990 53.948 -6.825 1.00 0.00 ATOM 168 CA PHE 26 6.532 53.907 -8.169 1.00 0.00 ATOM 169 CB PHE 26 5.282 54.728 -8.288 1.00 0.00 ATOM 170 CG PHE 26 4.059 53.981 -7.931 1.00 0.00 ATOM 171 CD1 PHE 26 2.808 54.483 -8.270 1.00 0.00 ATOM 172 CD2 PHE 26 4.154 52.759 -7.222 1.00 0.00 ATOM 173 CE1 PHE 26 1.671 53.771 -7.912 1.00 0.00 ATOM 174 CE2 PHE 26 3.023 52.031 -6.860 1.00 0.00 ATOM 175 CZ PHE 26 1.791 52.506 -7.194 1.00 0.00 ATOM 176 O PHE 26 7.655 54.071 -10.197 1.00 0.00 ATOM 177 C PHE 26 7.580 54.472 -9.042 1.00 0.00 ATOM 178 N ARG 27 8.396 55.401 -8.535 1.00 0.00 ATOM 179 CA ARG 27 9.473 55.922 -9.388 1.00 0.00 ATOM 180 CB ARG 27 10.294 57.022 -8.691 1.00 0.00 ATOM 181 CG ARG 27 10.468 58.266 -9.522 1.00 0.00 ATOM 182 CD ARG 27 11.557 59.199 -9.008 1.00 0.00 ATOM 183 NE ARG 27 12.888 58.649 -9.265 1.00 0.00 ATOM 184 CZ ARG 27 13.840 59.243 -10.003 1.00 0.00 ATOM 185 NH1 ARG 27 13.599 60.436 -10.573 1.00 0.00 ATOM 186 NH2 ARG 27 15.033 58.631 -10.164 1.00 0.00 ATOM 187 O ARG 27 10.810 54.762 -11.008 1.00 0.00 ATOM 188 C ARG 27 10.394 54.779 -9.857 1.00 0.00 ATOM 189 N GLU 28 10.722 53.844 -8.940 1.00 0.00 ATOM 190 CA GLU 28 11.598 52.719 -9.225 1.00 0.00 ATOM 191 CB GLU 28 11.944 51.956 -7.926 1.00 0.00 ATOM 192 CG GLU 28 13.151 50.909 -7.997 1.00 0.00 ATOM 193 CD GLU 28 13.956 50.688 -6.587 1.00 0.00 ATOM 194 OE1 GLU 28 13.333 50.849 -5.482 1.00 0.00 ATOM 195 OE2 GLU 28 15.181 50.328 -6.555 1.00 0.00 ATOM 196 O GLU 28 11.407 51.537 -11.333 1.00 0.00 ATOM 197 C GLU 28 10.844 51.851 -10.255 1.00 0.00 ATOM 198 N VAL 29 9.559 51.528 -9.951 1.00 0.00 ATOM 199 CA VAL 29 8.692 50.839 -10.915 1.00 0.00 ATOM 200 CB VAL 29 7.219 50.851 -10.505 1.00 0.00 ATOM 201 CG1 VAL 29 6.310 50.306 -11.613 1.00 0.00 ATOM 202 CG2 VAL 29 7.050 50.066 -9.282 1.00 0.00 ATOM 203 O VAL 29 9.354 50.765 -13.234 1.00 0.00 ATOM 204 C VAL 29 8.859 51.455 -12.323 1.00 0.00 ATOM 205 N GLU 30 8.509 52.735 -12.496 1.00 0.00 ATOM 206 CA GLU 30 8.638 53.434 -13.813 1.00 0.00 ATOM 207 CB GLU 30 8.212 54.905 -13.723 1.00 0.00 ATOM 208 CG GLU 30 6.742 55.146 -13.358 1.00 0.00 ATOM 209 CD GLU 30 5.748 54.496 -14.331 1.00 0.00 ATOM 210 OE1 GLU 30 4.894 53.648 -13.870 1.00 0.00 ATOM 211 OE2 GLU 30 5.814 54.824 -15.552 1.00 0.00 ATOM 212 O GLU 30 10.112 53.043 -15.711 1.00 0.00 ATOM 213 C GLU 30 10.026 53.311 -14.488 1.00 0.00 ATOM 214 N LEU 31 11.110 53.482 -13.719 1.00 0.00 ATOM 215 CA LEU 31 12.450 53.190 -14.274 1.00 0.00 ATOM 216 CB LEU 31 13.588 53.506 -13.304 1.00 0.00 ATOM 217 CG LEU 31 13.666 55.026 -13.038 1.00 0.00 ATOM 218 CD1 LEU 31 14.791 55.326 -12.049 1.00 0.00 ATOM 219 CD2 LEU 31 13.780 55.907 -14.329 1.00 0.00 ATOM 220 O LEU 31 12.814 51.574 -15.990 1.00 0.00 ATOM 221 C LEU 31 12.528 51.755 -14.807 1.00 0.00 ATOM 222 N LYS 32 12.218 50.739 -13.976 1.00 0.00 ATOM 223 CA LYS 32 12.126 49.368 -14.504 1.00 0.00 ATOM 224 CB LYS 32 11.689 48.364 -13.464 1.00 0.00 ATOM 225 CG LYS 32 12.833 47.821 -12.585 1.00 0.00 ATOM 226 CD LYS 32 12.241 47.548 -11.216 1.00 0.00 ATOM 227 CE LYS 32 13.136 46.818 -10.244 1.00 0.00 ATOM 228 NZ LYS 32 14.594 46.947 -10.488 1.00 0.00 ATOM 229 O LYS 32 11.770 48.818 -16.783 1.00 0.00 ATOM 230 C LYS 32 11.283 49.323 -15.781 1.00 0.00 ATOM 231 N ARG 33 10.080 49.901 -15.799 1.00 0.00 ATOM 232 CA ARG 33 9.295 49.827 -16.999 1.00 0.00 ATOM 233 CB ARG 33 8.026 50.598 -16.830 1.00 0.00 ATOM 234 CG ARG 33 7.138 50.286 -15.687 1.00 0.00 ATOM 235 CD ARG 33 5.800 50.266 -16.342 1.00 0.00 ATOM 236 NE ARG 33 4.860 51.323 -16.068 1.00 0.00 ATOM 237 CZ ARG 33 3.935 51.683 -16.967 1.00 0.00 ATOM 238 NH1 ARG 33 3.891 51.106 -18.153 1.00 0.00 ATOM 239 NH2 ARG 33 3.051 52.616 -16.703 1.00 0.00 ATOM 240 O ARG 33 9.779 50.019 -19.363 1.00 0.00 ATOM 241 C ARG 33 10.011 50.450 -18.227 1.00 0.00 ATOM 242 N LYS 34 10.818 51.508 -18.049 1.00 0.00 ATOM 243 CA LYS 34 11.543 52.051 -19.211 1.00 0.00 ATOM 244 CB LYS 34 12.323 53.363 -18.952 1.00 0.00 ATOM 245 CG LYS 34 11.596 54.719 -19.242 1.00 0.00 ATOM 246 CD LYS 34 11.546 55.227 -20.716 1.00 0.00 ATOM 247 CE LYS 34 12.852 55.895 -21.213 1.00 0.00 ATOM 248 NZ LYS 34 13.697 56.521 -20.146 1.00 0.00 ATOM 249 O LYS 34 12.501 50.710 -20.869 1.00 0.00 ATOM 250 C LYS 34 12.512 51.020 -19.691 1.00 0.00 ATOM 251 N GLU 35 13.341 50.502 -18.779 1.00 0.00 ATOM 252 CA GLU 35 14.447 49.607 -19.160 1.00 0.00 ATOM 253 CB GLU 35 15.195 48.987 -17.939 1.00 0.00 ATOM 254 CG GLU 35 16.589 49.635 -17.499 1.00 0.00 ATOM 255 CD GLU 35 17.310 48.874 -16.262 1.00 0.00 ATOM 256 OE1 GLU 35 18.380 48.244 -16.482 1.00 0.00 ATOM 257 OE2 GLU 35 16.818 48.868 -15.072 1.00 0.00 ATOM 258 O GLU 35 14.285 48.331 -21.197 1.00 0.00 ATOM 259 C GLU 35 13.840 48.532 -20.057 1.00 0.00 ATOM 260 N TRP 36 12.783 47.906 -19.532 1.00 0.00 ATOM 261 CA TRP 36 12.089 46.835 -20.191 1.00 0.00 ATOM 262 CB TRP 36 11.026 46.256 -19.271 1.00 0.00 ATOM 263 CG TRP 36 10.048 45.378 -20.004 1.00 0.00 ATOM 264 CD1 TRP 36 8.901 45.781 -20.617 1.00 0.00 ATOM 265 CD2 TRP 36 10.139 43.960 -20.213 1.00 0.00 ATOM 266 CE2 TRP 36 9.005 43.579 -20.963 1.00 0.00 ATOM 267 CE3 TRP 36 11.082 42.980 -19.860 1.00 0.00 ATOM 268 NE1 TRP 36 8.273 44.715 -21.199 1.00 0.00 ATOM 269 CZ2 TRP 36 8.772 42.242 -21.379 1.00 0.00 ATOM 270 CZ3 TRP 36 10.861 41.624 -20.268 1.00 0.00 ATOM 271 CH2 TRP 36 9.701 41.275 -21.015 1.00 0.00 ATOM 272 O TRP 36 11.545 46.573 -22.474 1.00 0.00 ATOM 273 C TRP 36 11.451 47.279 -21.491 1.00 0.00 ATOM 274 N ARG 37 10.782 48.428 -21.495 1.00 0.00 ATOM 275 CA ARG 37 10.061 48.887 -22.679 1.00 0.00 ATOM 276 CB ARG 37 9.304 50.229 -22.411 1.00 0.00 ATOM 277 CG ARG 37 8.000 50.460 -23.260 1.00 0.00 ATOM 278 CD ARG 37 6.806 51.268 -22.534 1.00 0.00 ATOM 279 NE ARG 37 7.181 52.654 -22.184 1.00 0.00 ATOM 280 CZ ARG 37 7.218 53.194 -20.955 1.00 0.00 ATOM 281 NH1 ARG 37 6.827 52.537 -19.877 1.00 0.00 ATOM 282 NH2 ARG 37 7.642 54.435 -20.808 1.00 0.00 ATOM 283 O ARG 37 10.852 48.789 -24.964 1.00 0.00 ATOM 284 C ARG 37 11.125 48.978 -23.775 1.00 0.00 ATOM 285 N GLU 38 12.363 49.163 -23.331 1.00 0.00 ATOM 286 CA GLU 38 13.488 49.376 -24.217 1.00 0.00 ATOM 287 CB GLU 38 14.148 50.709 -23.881 1.00 0.00 ATOM 288 CG GLU 38 13.453 51.886 -24.590 1.00 0.00 ATOM 289 CD GLU 38 13.522 53.226 -23.834 1.00 0.00 ATOM 290 OE1 GLU 38 14.499 53.461 -23.073 1.00 0.00 ATOM 291 OE2 GLU 38 12.585 54.054 -24.023 1.00 0.00 ATOM 292 O GLU 38 15.698 48.503 -24.372 1.00 0.00 ATOM 293 C GLU 38 14.512 48.242 -24.242 1.00 0.00 ATOM 294 N THR 39 14.053 46.995 -24.108 1.00 0.00 ATOM 295 CA THR 39 14.822 45.798 -24.539 1.00 0.00 ATOM 296 CB THR 39 15.468 44.945 -23.330 1.00 0.00 ATOM 297 CG2 THR 39 16.848 45.528 -22.911 1.00 0.00 ATOM 298 OG1 THR 39 14.617 44.940 -22.171 1.00 0.00 ATOM 299 O THR 39 12.809 44.780 -25.460 1.00 0.00 ATOM 300 C THR 39 14.026 44.953 -25.588 1.00 0.00 ATOM 301 N ARG 40 14.733 44.441 -26.607 1.00 0.00 ATOM 302 CA ARG 40 14.153 43.987 -27.913 1.00 0.00 ATOM 303 CB ARG 40 15.214 43.250 -28.779 1.00 0.00 ATOM 304 O ARG 40 12.730 42.250 -27.059 1.00 0.00 ATOM 305 C ARG 40 12.854 43.180 -27.847 1.00 0.00 ATOM 306 N ASP 46 12.414 31.285 -26.655 1.00 0.00 ATOM 307 CA ASP 46 12.264 30.375 -25.497 1.00 0.00 ATOM 308 CB ASP 46 13.424 29.318 -25.359 1.00 0.00 ATOM 309 CG ASP 46 14.843 29.879 -25.726 1.00 0.00 ATOM 310 OD1 ASP 46 15.534 29.230 -26.544 1.00 0.00 ATOM 311 OD2 ASP 46 15.273 30.953 -25.212 1.00 0.00 ATOM 312 O ASP 46 11.721 32.327 -24.263 1.00 0.00 ATOM 313 C ASP 46 12.099 31.161 -24.217 1.00 0.00 ATOM 314 N PHE 47 12.404 30.502 -23.091 1.00 0.00 ATOM 315 CA PHE 47 12.328 31.066 -21.722 1.00 0.00 ATOM 316 CB PHE 47 11.898 29.973 -20.749 1.00 0.00 ATOM 317 CG PHE 47 10.420 29.684 -20.761 1.00 0.00 ATOM 318 CD1 PHE 47 9.516 30.571 -21.384 1.00 0.00 ATOM 319 CD2 PHE 47 9.922 28.528 -20.118 1.00 0.00 ATOM 320 CE1 PHE 47 8.149 30.305 -21.377 1.00 0.00 ATOM 321 CE2 PHE 47 8.557 28.248 -20.107 1.00 0.00 ATOM 322 CZ PHE 47 7.666 29.142 -20.727 1.00 0.00 ATOM 323 O PHE 47 13.623 32.471 -20.290 1.00 0.00 ATOM 324 C PHE 47 13.639 31.645 -21.185 1.00 0.00 ATOM 325 N LEU 48 14.771 31.154 -21.691 1.00 0.00 ATOM 326 CA LEU 48 16.100 31.703 -21.392 1.00 0.00 ATOM 327 CB LEU 48 17.175 30.798 -22.044 1.00 0.00 ATOM 328 CG LEU 48 17.352 29.298 -21.657 1.00 0.00 ATOM 329 CD1 LEU 48 16.037 28.494 -21.518 1.00 0.00 ATOM 330 CD2 LEU 48 18.302 28.603 -22.619 1.00 0.00 ATOM 331 O LEU 48 15.972 33.132 -23.268 1.00 0.00 ATOM 332 C LEU 48 16.138 33.063 -22.043 1.00 0.00 ATOM 333 N GLY 49 16.340 34.174 -21.337 1.00 0.00 ATOM 334 CA GLY 49 16.619 34.346 -19.940 1.00 0.00 ATOM 335 O GLY 49 16.133 36.672 -19.387 1.00 0.00 ATOM 336 C GLY 49 15.726 35.497 -19.465 1.00 0.00 ATOM 337 N ASN 50 14.486 35.129 -19.153 1.00 0.00 ATOM 338 CA ASN 50 13.616 35.979 -18.432 1.00 0.00 ATOM 339 CB ASN 50 12.186 35.556 -18.622 1.00 0.00 ATOM 340 CG ASN 50 11.879 35.241 -20.014 1.00 0.00 ATOM 341 ND2 ASN 50 12.634 35.841 -20.922 1.00 0.00 ATOM 342 OD1 ASN 50 10.971 34.451 -20.302 1.00 0.00 ATOM 343 O ASN 50 14.615 35.037 -16.503 1.00 0.00 ATOM 344 C ASN 50 13.882 35.893 -16.973 1.00 0.00 ATOM 345 N HIS 51 13.204 36.782 -16.272 1.00 0.00 ATOM 346 CA HIS 51 13.330 36.919 -14.848 1.00 0.00 ATOM 347 CB HIS 51 12.712 38.236 -14.374 1.00 0.00 ATOM 348 CG HIS 51 13.163 39.396 -15.186 1.00 0.00 ATOM 349 CD2 HIS 51 14.325 40.105 -15.160 1.00 0.00 ATOM 350 ND1 HIS 51 12.446 39.859 -16.280 1.00 0.00 ATOM 351 CE1 HIS 51 13.111 40.863 -16.835 1.00 0.00 ATOM 352 NE2 HIS 51 14.261 41.015 -16.190 1.00 0.00 ATOM 353 O HIS 51 11.629 35.263 -14.768 1.00 0.00 ATOM 354 C HIS 51 12.623 35.769 -14.227 1.00 0.00 ATOM 355 N ILE 52 13.188 35.369 -13.096 1.00 0.00 ATOM 356 CA ILE 52 12.664 34.350 -12.229 1.00 0.00 ATOM 357 CB ILE 52 13.732 33.277 -11.904 1.00 0.00 ATOM 358 CG1 ILE 52 14.772 33.317 -12.976 1.00 0.00 ATOM 359 CG2 ILE 52 13.070 31.901 -11.700 1.00 0.00 ATOM 360 CD1 ILE 52 15.623 31.926 -13.163 1.00 0.00 ATOM 361 O ILE 52 13.383 35.748 -10.516 1.00 0.00 ATOM 362 C ILE 52 12.494 35.064 -10.947 1.00 0.00 ATOM 363 N VAL 53 11.461 34.730 -10.236 1.00 0.00 ATOM 364 CA VAL 53 11.141 35.452 -9.072 1.00 0.00 ATOM 365 CB VAL 53 9.974 36.296 -9.555 1.00 0.00 ATOM 366 CG1 VAL 53 8.663 36.065 -8.881 1.00 0.00 ATOM 367 CG2 VAL 53 10.449 37.731 -9.807 1.00 0.00 ATOM 368 O VAL 53 10.340 33.365 -8.303 1.00 0.00 ATOM 369 C VAL 53 10.895 34.405 -8.009 1.00 0.00 ATOM 370 N PRO 54 11.427 34.592 -6.803 1.00 0.00 ATOM 371 CA PRO 54 11.258 33.531 -5.771 1.00 0.00 ATOM 372 CB PRO 54 12.298 33.920 -4.732 1.00 0.00 ATOM 373 CG PRO 54 12.368 35.312 -4.753 1.00 0.00 ATOM 374 CD PRO 54 12.183 35.730 -6.259 1.00 0.00 ATOM 375 O PRO 54 9.325 34.681 -4.992 1.00 0.00 ATOM 376 C PRO 54 9.897 33.619 -5.126 1.00 0.00 ATOM 377 N VAL 55 9.394 32.537 -4.620 1.00 0.00 ATOM 378 CA VAL 55 7.978 32.470 -4.227 1.00 0.00 ATOM 379 CB VAL 55 7.289 32.013 -5.493 1.00 0.00 ATOM 380 CG1 VAL 55 6.399 30.776 -5.286 1.00 0.00 ATOM 381 CG2 VAL 55 6.750 33.178 -6.326 1.00 0.00 ATOM 382 O VAL 55 8.680 30.570 -2.940 1.00 0.00 ATOM 383 C VAL 55 7.813 31.400 -3.131 1.00 0.00 ATOM 384 N VAL 56 6.725 31.413 -2.386 1.00 0.00 ATOM 385 CA VAL 56 6.537 30.470 -1.294 1.00 0.00 ATOM 386 CB VAL 56 6.582 31.280 0.058 1.00 0.00 ATOM 387 CG1 VAL 56 5.692 30.706 1.113 1.00 0.00 ATOM 388 CG2 VAL 56 7.953 31.312 0.603 1.00 0.00 ATOM 389 O VAL 56 4.294 30.557 -1.930 1.00 0.00 ATOM 390 C VAL 56 5.187 29.883 -1.533 1.00 0.00 ATOM 391 N ALA 57 4.963 28.634 -1.272 1.00 0.00 ATOM 392 CA ALA 57 3.633 28.120 -1.552 1.00 0.00 ATOM 393 CB ALA 57 3.661 26.636 -1.994 1.00 0.00 ATOM 394 O ALA 57 3.263 27.927 0.782 1.00 0.00 ATOM 395 C ALA 57 2.829 28.337 -0.273 1.00 0.00 ATOM 396 N GLY 58 1.675 29.014 -0.380 1.00 0.00 ATOM 397 CA GLY 58 0.813 29.255 0.749 1.00 0.00 ATOM 398 O GLY 58 -0.470 27.495 -0.100 1.00 0.00 ATOM 399 C GLY 58 -0.390 28.398 0.684 1.00 0.00 ATOM 400 N PRO 59 -1.370 28.729 1.494 1.00 0.00 ATOM 401 CA PRO 59 -2.622 28.034 1.692 1.00 0.00 ATOM 402 CB PRO 59 -3.361 28.924 2.638 1.00 0.00 ATOM 403 CG PRO 59 -2.330 29.684 3.284 1.00 0.00 ATOM 404 CD PRO 59 -1.290 29.966 2.268 1.00 0.00 ATOM 405 O PRO 59 -3.225 28.844 -0.440 1.00 0.00 ATOM 406 C PRO 59 -3.402 27.975 0.404 1.00 0.00 ATOM 407 N LYS 60 -4.260 26.951 0.248 1.00 0.00 ATOM 408 CA LYS 60 -4.959 26.706 -1.031 1.00 0.00 ATOM 409 CB LYS 60 -5.856 27.876 -1.378 1.00 0.00 ATOM 410 CG LYS 60 -6.854 28.107 -0.259 1.00 0.00 ATOM 411 CD LYS 60 -7.633 26.801 0.004 1.00 0.00 ATOM 412 CE LYS 60 -8.106 26.701 1.473 1.00 0.00 ATOM 413 NZ LYS 60 -9.352 27.550 1.814 1.00 0.00 ATOM 414 O LYS 60 -2.734 26.251 -1.635 1.00 0.00 ATOM 415 C LYS 60 -3.865 26.613 -2.005 1.00 0.00 ATOM 416 N ASP 61 -4.038 26.948 -3.250 1.00 0.00 ATOM 417 CA ASP 61 -2.740 26.715 -3.880 1.00 0.00 ATOM 418 CB ASP 61 -2.803 25.610 -4.921 1.00 0.00 ATOM 419 CG ASP 61 -2.684 24.253 -4.263 1.00 0.00 ATOM 420 OD1 ASP 61 -3.608 23.427 -4.514 1.00 0.00 ATOM 421 OD2 ASP 61 -1.707 24.065 -3.423 1.00 0.00 ATOM 422 O ASP 61 -0.765 27.811 -4.798 1.00 0.00 ATOM 423 C ASP 61 -1.752 27.886 -4.086 1.00 0.00 ATOM 424 N ARG 62 -1.970 28.930 -3.325 1.00 0.00 ATOM 425 CA ARG 62 -1.575 30.187 -3.772 1.00 0.00 ATOM 426 CB ARG 62 -2.479 31.234 -3.085 1.00 0.00 ATOM 427 CG ARG 62 -4.009 31.158 -3.488 1.00 0.00 ATOM 428 CD ARG 62 -4.120 31.264 -5.027 1.00 0.00 ATOM 429 NE ARG 62 -5.193 32.128 -5.521 1.00 0.00 ATOM 430 CZ ARG 62 -5.100 33.436 -5.862 1.00 0.00 ATOM 431 NH1 ARG 62 -3.979 34.148 -5.776 1.00 0.00 ATOM 432 NH2 ARG 62 -6.196 34.053 -6.304 1.00 0.00 ATOM 433 O ARG 62 0.591 29.792 -2.760 1.00 0.00 ATOM 434 C ARG 62 -0.054 30.351 -3.638 1.00 0.00 ATOM 435 N ALA 63 0.537 31.056 -4.577 1.00 0.00 ATOM 436 CA ALA 63 1.941 31.432 -4.528 1.00 0.00 ATOM 437 CB ALA 63 2.501 31.329 -5.889 1.00 0.00 ATOM 438 O ALA 63 1.534 33.813 -4.579 1.00 0.00 ATOM 439 C ALA 63 2.133 32.869 -4.010 1.00 0.00 ATOM 440 N TYR 64 2.989 33.042 -2.994 1.00 0.00 ATOM 441 CA TYR 64 3.305 34.395 -2.448 1.00 0.00 ATOM 442 CB TYR 64 3.271 34.372 -0.893 1.00 0.00 ATOM 443 CG TYR 64 1.870 34.187 -0.451 1.00 0.00 ATOM 444 CD1 TYR 64 1.230 32.939 -0.673 1.00 0.00 ATOM 445 CD2 TYR 64 1.106 35.287 0.016 1.00 0.00 ATOM 446 CE1 TYR 64 -0.138 32.750 -0.355 1.00 0.00 ATOM 447 CE2 TYR 64 -0.240 35.115 0.358 1.00 0.00 ATOM 448 CZ TYR 64 -0.836 33.828 0.171 1.00 0.00 ATOM 449 OH TYR 64 -2.129 33.594 0.464 1.00 0.00 ATOM 450 O TYR 64 5.623 34.200 -2.683 1.00 0.00 ATOM 451 C TYR 64 4.641 34.899 -2.886 1.00 0.00 ATOM 452 N LEU 65 4.686 36.068 -3.482 1.00 0.00 ATOM 453 CA LEU 65 5.908 36.676 -4.067 1.00 0.00 ATOM 454 CB LEU 65 5.527 37.944 -4.846 1.00 0.00 ATOM 455 CG LEU 65 6.700 38.702 -5.434 1.00 0.00 ATOM 456 CD1 LEU 65 7.530 37.822 -6.403 1.00 0.00 ATOM 457 CD2 LEU 65 6.270 39.995 -6.132 1.00 0.00 ATOM 458 O LEU 65 6.271 37.827 -2.030 1.00 0.00 ATOM 459 C LEU 65 6.762 37.143 -2.923 1.00 0.00 ATOM 460 N ILE 66 8.048 36.837 -2.959 1.00 0.00 ATOM 461 CA ILE 66 8.918 37.081 -1.782 1.00 0.00 ATOM 462 CB ILE 66 9.609 35.737 -1.367 1.00 0.00 ATOM 463 CG1 ILE 66 8.677 35.048 -0.435 1.00 0.00 ATOM 464 CG2 ILE 66 10.893 35.906 -0.646 1.00 0.00 ATOM 465 CD1 ILE 66 7.883 36.066 0.227 1.00 0.00 ATOM 466 O ILE 66 10.415 38.875 -1.124 1.00 0.00 ATOM 467 C ILE 66 9.911 38.216 -2.033 1.00 0.00 ATOM 468 N ASP 67 10.194 38.492 -3.280 1.00 0.00 ATOM 469 CA ASP 67 11.080 39.587 -3.509 1.00 0.00 ATOM 470 CB ASP 67 12.505 39.035 -3.649 1.00 0.00 ATOM 471 CG ASP 67 13.519 40.014 -3.172 1.00 0.00 ATOM 472 OD1 ASP 67 13.079 41.112 -2.715 1.00 0.00 ATOM 473 OD2 ASP 67 14.730 39.696 -3.251 1.00 0.00 ATOM 474 O ASP 67 9.874 39.628 -5.539 1.00 0.00 ATOM 475 C ASP 67 10.691 40.215 -4.803 1.00 0.00 ATOM 476 N HIS 68 11.316 41.327 -5.156 1.00 0.00 ATOM 477 CA HIS 68 11.112 41.827 -6.507 1.00 0.00 ATOM 478 CB HIS 68 11.526 40.820 -7.572 1.00 0.00 ATOM 479 CG HIS 68 12.886 40.264 -7.331 1.00 0.00 ATOM 480 CD2 HIS 68 13.288 39.078 -6.809 1.00 0.00 ATOM 481 ND1 HIS 68 14.037 40.984 -7.579 1.00 0.00 ATOM 482 CE1 HIS 68 15.086 40.263 -7.231 1.00 0.00 ATOM 483 NE2 HIS 68 14.656 39.113 -6.755 1.00 0.00 ATOM 484 O HIS 68 9.233 42.195 -7.899 1.00 0.00 ATOM 485 C HIS 68 9.717 42.321 -6.788 1.00 0.00 ATOM 486 N HIS 69 9.046 42.871 -5.806 1.00 0.00 ATOM 487 CA HIS 69 7.766 43.590 -6.146 1.00 0.00 ATOM 488 CB HIS 69 7.071 44.067 -4.891 1.00 0.00 ATOM 489 CG HIS 69 6.656 42.939 -3.991 1.00 0.00 ATOM 490 CD2 HIS 69 7.387 41.992 -3.354 1.00 0.00 ATOM 491 ND1 HIS 69 5.339 42.672 -3.672 1.00 0.00 ATOM 492 CE1 HIS 69 5.279 41.620 -2.870 1.00 0.00 ATOM 493 NE2 HIS 69 6.507 41.185 -2.671 1.00 0.00 ATOM 494 O HIS 69 6.988 44.890 -8.032 1.00 0.00 ATOM 495 C HIS 69 7.882 44.714 -7.220 1.00 0.00 ATOM 496 N HIS 70 8.977 45.459 -7.225 1.00 0.00 ATOM 497 CA HIS 70 9.054 46.589 -8.102 1.00 0.00 ATOM 498 CB HIS 70 10.355 47.343 -7.816 1.00 0.00 ATOM 499 CG HIS 70 10.356 48.040 -6.485 1.00 0.00 ATOM 500 CD2 HIS 70 10.706 47.610 -5.251 1.00 0.00 ATOM 501 ND1 HIS 70 9.851 49.317 -6.306 1.00 0.00 ATOM 502 CE1 HIS 70 9.926 49.656 -5.031 1.00 0.00 ATOM 503 NE2 HIS 70 10.430 48.636 -4.367 1.00 0.00 ATOM 504 O HIS 70 8.199 46.379 -10.319 1.00 0.00 ATOM 505 C HIS 70 8.996 46.008 -9.491 1.00 0.00 ATOM 506 N LEU 71 9.754 44.958 -9.694 1.00 0.00 ATOM 507 CA LEU 71 9.943 44.390 -11.003 1.00 0.00 ATOM 508 CB LEU 71 11.016 43.334 -10.955 1.00 0.00 ATOM 509 CG LEU 71 11.052 42.671 -12.320 1.00 0.00 ATOM 510 CD1 LEU 71 11.454 43.693 -13.368 1.00 0.00 ATOM 511 CD2 LEU 71 11.922 41.429 -12.381 1.00 0.00 ATOM 512 O LEU 71 8.207 43.984 -12.534 1.00 0.00 ATOM 513 C LEU 71 8.663 43.778 -11.396 1.00 0.00 ATOM 514 N VAL 72 8.029 43.065 -10.479 1.00 0.00 ATOM 515 CA VAL 72 6.761 42.463 -10.885 1.00 0.00 ATOM 516 CB VAL 72 6.282 41.331 -9.940 1.00 0.00 ATOM 517 CG1 VAL 72 4.953 40.825 -10.361 1.00 0.00 ATOM 518 CG2 VAL 72 7.281 40.147 -9.942 1.00 0.00 ATOM 519 O VAL 72 4.913 43.300 -12.241 1.00 0.00 ATOM 520 C VAL 72 5.640 43.476 -11.221 1.00 0.00 ATOM 521 N LEU 73 5.510 44.559 -10.453 1.00 0.00 ATOM 522 CA LEU 73 4.548 45.577 -10.869 1.00 0.00 ATOM 523 CB LEU 73 4.401 46.614 -9.799 1.00 0.00 ATOM 524 CG LEU 73 3.406 47.775 -9.893 1.00 0.00 ATOM 525 CD1 LEU 73 1.968 47.279 -10.091 1.00 0.00 ATOM 526 CD2 LEU 73 3.522 48.678 -8.666 1.00 0.00 ATOM 527 O LEU 73 4.127 46.447 -13.094 1.00 0.00 ATOM 528 C LEU 73 4.972 46.183 -12.222 1.00 0.00 ATOM 529 N ALA 74 6.279 46.379 -12.406 1.00 0.00 ATOM 530 CA ALA 74 6.728 46.983 -13.656 1.00 0.00 ATOM 531 CB ALA 74 8.236 47.080 -13.729 1.00 0.00 ATOM 532 O ALA 74 5.619 46.618 -15.796 1.00 0.00 ATOM 533 C ALA 74 6.200 46.106 -14.800 1.00 0.00 ATOM 534 N LEU 75 6.377 44.785 -14.652 1.00 0.00 ATOM 535 CA LEU 75 6.098 43.877 -15.772 1.00 0.00 ATOM 536 CB LEU 75 6.642 42.482 -15.493 1.00 0.00 ATOM 537 CG LEU 75 7.972 41.869 -15.942 1.00 0.00 ATOM 538 CD1 LEU 75 8.969 42.786 -16.424 1.00 0.00 ATOM 539 CD2 LEU 75 8.577 41.041 -14.834 1.00 0.00 ATOM 540 O LEU 75 4.048 43.858 -17.063 1.00 0.00 ATOM 541 C LEU 75 4.580 43.840 -15.950 1.00 0.00 ATOM 542 N SER 76 3.882 43.872 -14.838 1.00 0.00 ATOM 543 CA SER 76 2.452 43.846 -14.911 1.00 0.00 ATOM 544 CB SER 76 1.896 43.809 -13.537 1.00 0.00 ATOM 545 OG SER 76 0.539 43.966 -13.754 1.00 0.00 ATOM 546 O SER 76 1.115 44.938 -16.606 1.00 0.00 ATOM 547 C SER 76 1.899 45.073 -15.643 1.00 0.00 ATOM 548 N LYS 77 2.345 46.262 -15.220 1.00 0.00 ATOM 549 CA LYS 77 2.035 47.460 -15.963 1.00 0.00 ATOM 550 CB LYS 77 2.560 48.704 -15.268 1.00 0.00 ATOM 551 CG LYS 77 1.891 48.986 -13.953 1.00 0.00 ATOM 552 CD LYS 77 2.279 50.433 -13.474 1.00 0.00 ATOM 553 CE LYS 77 1.600 50.911 -12.162 1.00 0.00 ATOM 554 NZ LYS 77 1.810 52.396 -11.974 1.00 0.00 ATOM 555 O LYS 77 1.867 48.059 -18.290 1.00 0.00 ATOM 556 C LYS 77 2.482 47.406 -17.446 1.00 0.00 ATOM 557 N GLU 78 3.500 46.618 -17.801 1.00 0.00 ATOM 558 CA GLU 78 3.870 46.560 -19.236 1.00 0.00 ATOM 559 CB GLU 78 5.346 46.194 -19.435 1.00 0.00 ATOM 560 CG GLU 78 6.297 47.363 -19.382 1.00 0.00 ATOM 561 CD GLU 78 5.854 48.576 -20.259 1.00 0.00 ATOM 562 OE1 GLU 78 5.626 49.676 -19.665 1.00 0.00 ATOM 563 OE2 GLU 78 5.748 48.438 -21.522 1.00 0.00 ATOM 564 O GLU 78 3.297 45.382 -21.207 1.00 0.00 ATOM 565 C GLU 78 3.027 45.601 -20.038 1.00 0.00 ATOM 566 N GLY 79 2.022 45.007 -19.400 1.00 0.00 ATOM 567 CA GLY 79 1.169 44.019 -20.069 1.00 0.00 ATOM 568 O GLY 79 1.259 41.740 -20.808 1.00 0.00 ATOM 569 C GLY 79 1.749 42.592 -20.087 1.00 0.00 ATOM 570 N VAL 80 2.777 42.303 -19.293 1.00 0.00 ATOM 571 CA VAL 80 3.347 41.005 -19.340 1.00 0.00 ATOM 572 CB VAL 80 4.733 41.006 -18.738 1.00 0.00 ATOM 573 CG1 VAL 80 5.203 39.595 -18.642 1.00 0.00 ATOM 574 CG2 VAL 80 5.678 41.790 -19.585 1.00 0.00 ATOM 575 O VAL 80 2.156 40.534 -17.393 1.00 0.00 ATOM 576 C VAL 80 2.449 40.132 -18.484 1.00 0.00 ATOM 577 N GLU 81 2.018 38.967 -18.975 1.00 0.00 ATOM 578 CA GLU 81 1.088 38.060 -18.250 1.00 0.00 ATOM 579 CB GLU 81 0.274 37.219 -19.232 1.00 0.00 ATOM 580 CG GLU 81 0.801 37.291 -20.700 1.00 0.00 ATOM 581 CD GLU 81 -0.274 36.816 -21.726 1.00 0.00 ATOM 582 OE1 GLU 81 -1.096 35.921 -21.339 1.00 0.00 ATOM 583 OE2 GLU 81 -0.305 37.358 -22.868 1.00 0.00 ATOM 584 O GLU 81 1.170 36.875 -16.200 1.00 0.00 ATOM 585 C GLU 81 1.702 37.087 -17.264 1.00 0.00 ATOM 586 N HIS 82 2.801 36.468 -17.644 1.00 0.00 ATOM 587 CA HIS 82 3.388 35.454 -16.845 1.00 0.00 ATOM 588 CB HIS 82 3.409 34.177 -17.675 1.00 0.00 ATOM 589 CG HIS 82 2.054 33.576 -17.957 1.00 0.00 ATOM 590 CD2 HIS 82 1.261 32.771 -17.201 1.00 0.00 ATOM 591 ND1 HIS 82 1.394 33.742 -19.167 1.00 0.00 ATOM 592 CE1 HIS 82 0.260 33.066 -19.146 1.00 0.00 ATOM 593 NE2 HIS 82 0.157 32.463 -17.966 1.00 0.00 ATOM 594 O HIS 82 5.551 36.572 -16.962 1.00 0.00 ATOM 595 C HIS 82 4.830 35.779 -16.356 1.00 0.00 ATOM 596 N VAL 83 5.277 35.159 -15.267 1.00 0.00 ATOM 597 CA VAL 83 6.661 35.299 -14.889 1.00 0.00 ATOM 598 CB VAL 83 6.837 36.409 -13.842 1.00 0.00 ATOM 599 CG1 VAL 83 6.127 36.067 -12.481 1.00 0.00 ATOM 600 CG2 VAL 83 8.320 36.641 -13.541 1.00 0.00 ATOM 601 O VAL 83 6.445 33.202 -13.742 1.00 0.00 ATOM 602 C VAL 83 7.183 33.921 -14.382 1.00 0.00 ATOM 603 N LEU 84 8.431 33.552 -14.658 1.00 0.00 ATOM 604 CA LEU 84 9.020 32.343 -14.086 1.00 0.00 ATOM 605 CB LEU 84 10.375 32.136 -14.671 1.00 0.00 ATOM 606 CG LEU 84 10.374 31.995 -16.190 1.00 0.00 ATOM 607 CD1 LEU 84 11.763 31.750 -16.660 1.00 0.00 ATOM 608 CD2 LEU 84 9.337 30.934 -16.672 1.00 0.00 ATOM 609 O LEU 84 9.477 33.684 -12.159 1.00 0.00 ATOM 610 C LEU 84 9.231 32.534 -12.621 1.00 0.00 ATOM 611 N THR 85 9.129 31.449 -11.872 1.00 0.00 ATOM 612 CA THR 85 9.173 31.509 -10.431 1.00 0.00 ATOM 613 CB THR 85 7.793 31.242 -9.828 1.00 0.00 ATOM 614 CG2 THR 85 6.773 32.337 -10.097 1.00 0.00 ATOM 615 OG1 THR 85 7.284 30.007 -10.378 1.00 0.00 ATOM 616 O THR 85 10.046 29.272 -10.733 1.00 0.00 ATOM 617 C THR 85 9.924 30.246 -9.979 1.00 0.00 ATOM 618 N SER 86 10.379 30.253 -8.722 1.00 0.00 ATOM 619 CA SER 86 11.005 29.125 -8.136 1.00 0.00 ATOM 620 CB SER 86 12.492 29.323 -8.082 1.00 0.00 ATOM 621 OG SER 86 13.065 28.136 -7.580 1.00 0.00 ATOM 622 O SER 86 10.641 30.093 -5.988 1.00 0.00 ATOM 623 C SER 86 10.488 29.107 -6.725 1.00 0.00 ATOM 624 N GLU 87 9.824 28.013 -6.380 1.00 0.00 ATOM 625 CA GLU 87 9.305 27.829 -5.085 1.00 0.00 ATOM 626 CB GLU 87 8.294 26.666 -5.128 1.00 0.00 ATOM 627 CG GLU 87 7.693 26.240 -3.798 1.00 0.00 ATOM 628 CD GLU 87 6.626 25.074 -3.937 1.00 0.00 ATOM 629 OE1 GLU 87 6.879 23.911 -3.433 1.00 0.00 ATOM 630 OE2 GLU 87 5.527 25.340 -4.507 1.00 0.00 ATOM 631 O GLU 87 11.232 26.591 -4.434 1.00 0.00 ATOM 632 C GLU 87 10.504 27.548 -4.194 1.00 0.00 ATOM 633 N VAL 88 10.692 28.380 -3.170 1.00 0.00 ATOM 634 CA VAL 88 11.751 28.210 -2.187 1.00 0.00 ATOM 635 CB VAL 88 12.587 29.479 -1.995 1.00 0.00 ATOM 636 CG1 VAL 88 13.237 29.837 -3.275 1.00 0.00 ATOM 637 CG2 VAL 88 11.721 30.632 -1.459 1.00 0.00 ATOM 638 O VAL 88 12.074 27.732 0.159 1.00 0.00 ATOM 639 C VAL 88 11.278 27.785 -0.789 1.00 0.00 ATOM 640 N ALA 89 9.993 27.519 -0.634 1.00 0.00 ATOM 641 CA ALA 89 9.491 27.027 0.628 1.00 0.00 ATOM 642 CB ALA 89 9.691 28.045 1.724 1.00 0.00 ATOM 643 O ALA 89 7.352 27.313 -0.371 1.00 0.00 ATOM 644 C ALA 89 8.047 26.720 0.464 1.00 0.00 ATOM 645 N LYS 90 7.592 25.803 1.296 1.00 0.00 ATOM 646 CA LYS 90 6.282 25.186 1.116 1.00 0.00 ATOM 647 CB LYS 90 6.463 23.730 0.658 1.00 0.00 ATOM 648 CG LYS 90 5.429 23.299 -0.350 1.00 0.00 ATOM 649 CD LYS 90 5.737 21.888 -0.984 1.00 0.00 ATOM 650 CE LYS 90 4.525 21.393 -1.851 1.00 0.00 ATOM 651 NZ LYS 90 3.620 22.531 -2.536 1.00 0.00 ATOM 652 O LYS 90 5.940 24.523 3.380 1.00 0.00 ATOM 653 C LYS 90 5.578 25.253 2.447 1.00 0.00 ATOM 654 N PHE 91 4.598 26.133 2.561 1.00 0.00 ATOM 655 CA PHE 91 3.785 26.215 3.755 1.00 0.00 ATOM 656 CB PHE 91 3.854 27.602 4.361 1.00 0.00 ATOM 657 CG PHE 91 5.206 28.082 4.651 1.00 0.00 ATOM 658 CD1 PHE 91 6.101 27.329 5.333 1.00 0.00 ATOM 659 CD2 PHE 91 5.579 29.336 4.253 1.00 0.00 ATOM 660 CE1 PHE 91 7.381 27.774 5.608 1.00 0.00 ATOM 661 CE2 PHE 91 6.867 29.817 4.543 1.00 0.00 ATOM 662 CZ PHE 91 7.778 28.992 5.231 1.00 0.00 ATOM 663 O PHE 91 1.427 26.200 4.325 1.00 0.00 ATOM 664 C PHE 91 2.310 25.901 3.499 1.00 0.00 ATOM 665 N SER 92 2.027 25.269 2.388 1.00 0.00 ATOM 666 CA SER 92 0.671 25.014 2.031 1.00 0.00 ATOM 667 CB SER 92 0.600 24.538 0.591 1.00 0.00 ATOM 668 OG SER 92 1.513 23.458 0.485 1.00 0.00 ATOM 669 O SER 92 -1.058 23.763 2.847 1.00 0.00 ATOM 670 C SER 92 0.063 24.001 2.951 1.00 0.00 ATOM 671 N HIS 93 0.720 23.395 3.890 1.00 0.00 ATOM 672 CA HIS 93 -0.099 22.636 4.891 1.00 0.00 ATOM 673 CB HIS 93 0.680 21.521 5.598 1.00 0.00 ATOM 674 CG HIS 93 1.920 22.003 6.238 1.00 0.00 ATOM 675 CD2 HIS 93 2.308 22.041 7.542 1.00 0.00 ATOM 676 ND1 HIS 93 2.920 22.626 5.525 1.00 0.00 ATOM 677 CE1 HIS 93 3.881 23.010 6.360 1.00 0.00 ATOM 678 NE2 HIS 93 3.542 22.654 7.592 1.00 0.00 ATOM 679 O HIS 93 -1.583 23.180 6.685 1.00 0.00 ATOM 680 C HIS 93 -0.742 23.585 5.929 1.00 0.00 ATOM 681 N LEU 94 -0.336 24.833 6.006 1.00 0.00 ATOM 682 CA LEU 94 -0.918 25.693 7.046 1.00 0.00 ATOM 683 CB LEU 94 0.086 26.808 7.427 1.00 0.00 ATOM 684 CG LEU 94 1.479 26.276 7.765 1.00 0.00 ATOM 685 CD1 LEU 94 2.475 27.332 8.136 1.00 0.00 ATOM 686 CD2 LEU 94 1.446 25.206 8.869 1.00 0.00 ATOM 687 O LEU 94 -2.521 26.713 5.518 1.00 0.00 ATOM 688 C LEU 94 -2.279 26.341 6.687 1.00 0.00 ATOM 689 N GLY 95 -3.136 26.553 7.683 1.00 0.00 ATOM 690 CA GLY 95 -4.230 27.504 7.540 1.00 0.00 ATOM 691 O GLY 95 -2.468 29.228 7.532 1.00 0.00 ATOM 692 C GLY 95 -3.691 28.945 7.432 1.00 0.00 ATOM 693 N LYS 96 -4.604 29.886 7.266 1.00 0.00 ATOM 694 CA LYS 96 -4.225 31.209 6.780 1.00 0.00 ATOM 695 CB LYS 96 -5.460 31.866 6.159 1.00 0.00 ATOM 696 CG LYS 96 -5.925 31.122 4.847 1.00 0.00 ATOM 697 CD LYS 96 -6.924 29.876 5.038 1.00 0.00 ATOM 698 CE LYS 96 -7.685 29.721 3.685 1.00 0.00 ATOM 699 NZ LYS 96 -8.857 30.722 3.412 1.00 0.00 ATOM 700 O LYS 96 -2.705 32.838 7.736 1.00 0.00 ATOM 701 C LYS 96 -3.642 32.062 7.900 1.00 0.00 ATOM 702 N ASP 97 -4.242 31.868 9.048 1.00 0.00 ATOM 703 CA ASP 97 -3.864 32.485 10.248 1.00 0.00 ATOM 704 CB ASP 97 -4.729 31.774 11.294 1.00 0.00 ATOM 705 CG ASP 97 -5.469 32.719 12.157 1.00 0.00 ATOM 706 OD1 ASP 97 -5.073 33.908 12.110 1.00 0.00 ATOM 707 OD2 ASP 97 -6.427 32.264 12.866 1.00 0.00 ATOM 708 O ASP 97 -1.517 32.957 10.630 1.00 0.00 ATOM 709 C ASP 97 -2.414 32.109 10.498 1.00 0.00 ATOM 710 N GLU 98 -2.193 30.794 10.553 1.00 0.00 ATOM 711 CA GLU 98 -0.918 30.309 10.961 1.00 0.00 ATOM 712 CB GLU 98 -0.990 28.824 11.208 1.00 0.00 ATOM 713 CG GLU 98 0.306 28.320 11.707 1.00 0.00 ATOM 714 CD GLU 98 0.228 26.955 12.297 1.00 0.00 ATOM 715 OE1 GLU 98 -0.656 26.160 11.897 1.00 0.00 ATOM 716 OE2 GLU 98 1.096 26.649 13.145 1.00 0.00 ATOM 717 O GLU 98 1.191 31.202 10.205 1.00 0.00 ATOM 718 C GLU 98 0.114 30.719 9.896 1.00 0.00 ATOM 719 N PHE 99 -0.269 30.602 8.641 1.00 0.00 ATOM 720 CA PHE 99 0.572 30.987 7.617 1.00 0.00 ATOM 721 CB PHE 99 -0.245 30.978 6.363 1.00 0.00 ATOM 722 CG PHE 99 0.484 31.511 5.184 1.00 0.00 ATOM 723 CD1 PHE 99 1.479 30.785 4.607 1.00 0.00 ATOM 724 CD2 PHE 99 0.179 32.761 4.675 1.00 0.00 ATOM 725 CE1 PHE 99 2.150 31.267 3.481 1.00 0.00 ATOM 726 CE2 PHE 99 0.876 33.289 3.498 1.00 0.00 ATOM 727 CZ PHE 99 1.860 32.545 2.924 1.00 0.00 ATOM 728 O PHE 99 2.311 32.594 7.757 1.00 0.00 ATOM 729 C PHE 99 1.114 32.386 7.815 1.00 0.00 ATOM 730 N TRP 100 0.264 33.376 8.008 1.00 0.00 ATOM 731 CA TRP 100 0.810 34.730 8.049 1.00 0.00 ATOM 732 CB TRP 100 -0.285 35.730 8.247 1.00 0.00 ATOM 733 CG TRP 100 -0.990 35.992 7.030 1.00 0.00 ATOM 734 CD1 TRP 100 -2.288 35.660 6.761 1.00 0.00 ATOM 735 CD2 TRP 100 -0.434 36.552 5.809 1.00 0.00 ATOM 736 CE2 TRP 100 -1.461 36.538 4.851 1.00 0.00 ATOM 737 CE3 TRP 100 0.851 36.983 5.429 1.00 0.00 ATOM 738 NE1 TRP 100 -2.567 35.990 5.456 1.00 0.00 ATOM 739 CZ2 TRP 100 -1.310 37.060 3.568 1.00 0.00 ATOM 740 CZ3 TRP 100 1.030 37.495 4.137 1.00 0.00 ATOM 741 CH2 TRP 100 -0.078 37.553 3.219 1.00 0.00 ATOM 742 O TRP 100 2.791 35.546 9.021 1.00 0.00 ATOM 743 C TRP 100 1.754 34.918 9.186 1.00 0.00 ATOM 744 N SER 101 1.382 34.387 10.349 1.00 0.00 ATOM 745 CA SER 101 2.262 34.295 11.492 1.00 0.00 ATOM 746 CB SER 101 1.596 33.463 12.582 1.00 0.00 ATOM 747 OG SER 101 2.515 33.094 13.561 1.00 0.00 ATOM 748 O SER 101 4.663 34.291 11.484 1.00 0.00 ATOM 749 C SER 101 3.626 33.702 11.159 1.00 0.00 ATOM 750 N VAL 102 3.642 32.549 10.501 1.00 0.00 ATOM 751 CA VAL 102 4.910 31.930 10.225 1.00 0.00 ATOM 752 CB VAL 102 4.727 30.529 9.721 1.00 0.00 ATOM 753 CG1 VAL 102 5.882 30.057 8.970 1.00 0.00 ATOM 754 CG2 VAL 102 4.532 29.641 10.897 1.00 0.00 ATOM 755 O VAL 102 6.951 33.039 9.511 1.00 0.00 ATOM 756 C VAL 102 5.715 32.831 9.272 1.00 0.00 ATOM 757 N MET 103 5.038 33.365 8.239 1.00 0.00 ATOM 758 CA MET 103 5.683 34.310 7.320 1.00 0.00 ATOM 759 CB MET 103 4.685 34.828 6.299 1.00 0.00 ATOM 760 CG MET 103 4.093 33.765 5.424 1.00 0.00 ATOM 761 SD MET 103 5.407 33.190 4.078 1.00 0.00 ATOM 762 CE MET 103 4.972 34.655 2.823 1.00 0.00 ATOM 763 O MET 103 7.452 35.973 7.907 1.00 0.00 ATOM 764 C MET 103 6.263 35.545 8.077 1.00 0.00 ATOM 765 N ASP 104 5.408 36.110 8.918 1.00 0.00 ATOM 766 CA ASP 104 5.801 37.261 9.681 1.00 0.00 ATOM 767 CB ASP 104 4.667 37.647 10.607 1.00 0.00 ATOM 768 CG ASP 104 5.044 38.759 11.573 1.00 0.00 ATOM 769 OD1 ASP 104 5.783 39.752 11.197 1.00 0.00 ATOM 770 OD2 ASP 104 4.567 38.581 12.719 1.00 0.00 ATOM 771 O ASP 104 7.940 37.659 10.585 1.00 0.00 ATOM 772 C ASP 104 7.011 36.900 10.493 1.00 0.00 ATOM 773 N HIS 105 6.995 35.705 11.049 1.00 0.00 ATOM 774 CA HIS 105 7.996 35.252 11.978 1.00 0.00 ATOM 775 CB HIS 105 7.544 33.921 12.527 1.00 0.00 ATOM 776 CG HIS 105 7.970 33.669 13.912 1.00 0.00 ATOM 777 CD2 HIS 105 9.206 33.471 14.444 1.00 0.00 ATOM 778 ND1 HIS 105 7.066 33.540 14.950 1.00 0.00 ATOM 779 CE1 HIS 105 7.733 33.311 16.074 1.00 0.00 ATOM 780 NE2 HIS 105 9.036 33.261 15.797 1.00 0.00 ATOM 781 O HIS 105 10.348 35.053 11.842 1.00 0.00 ATOM 782 C HIS 105 9.286 35.008 11.257 1.00 0.00 ATOM 783 N ARG 106 9.175 34.646 10.004 1.00 0.00 ATOM 784 CA ARG 106 10.338 34.361 9.253 1.00 0.00 ATOM 785 CB ARG 106 10.146 33.087 8.451 1.00 0.00 ATOM 786 CG ARG 106 10.643 31.898 9.278 1.00 0.00 ATOM 787 CD ARG 106 9.841 30.693 8.968 1.00 0.00 ATOM 788 NE ARG 106 10.103 30.269 7.589 1.00 0.00 ATOM 789 CZ ARG 106 10.826 29.189 7.313 1.00 0.00 ATOM 790 NH1 ARG 106 11.318 28.471 8.309 1.00 0.00 ATOM 791 NH2 ARG 106 11.058 28.844 6.064 1.00 0.00 ATOM 792 O ARG 106 11.591 35.407 7.541 1.00 0.00 ATOM 793 C ARG 106 10.719 35.544 8.397 1.00 0.00 ATOM 794 N ASN 107 10.097 36.714 8.660 1.00 0.00 ATOM 795 CA ASN 107 10.464 37.959 8.005 1.00 0.00 ATOM 796 CB ASN 107 11.894 38.292 8.349 1.00 0.00 ATOM 797 CG ASN 107 12.055 38.741 9.822 1.00 0.00 ATOM 798 ND2 ASN 107 13.260 38.596 10.332 1.00 0.00 ATOM 799 OD1 ASN 107 11.102 39.218 10.484 1.00 0.00 ATOM 800 O ASN 107 11.137 38.501 5.786 1.00 0.00 ATOM 801 C ASN 107 10.288 37.968 6.497 1.00 0.00 ATOM 802 N LEU 108 9.173 37.417 6.027 1.00 0.00 ATOM 803 CA LEU 108 8.887 37.304 4.630 1.00 0.00 ATOM 804 CB LEU 108 8.579 35.850 4.251 1.00 0.00 ATOM 805 CG LEU 108 9.849 34.920 4.449 1.00 0.00 ATOM 806 CD1 LEU 108 9.624 33.424 4.339 1.00 0.00 ATOM 807 CD2 LEU 108 11.025 35.314 3.594 1.00 0.00 ATOM 808 O LEU 108 7.316 38.306 3.104 1.00 0.00 ATOM 809 C LEU 108 7.761 38.231 4.294 1.00 0.00 ATOM 810 N ILE 109 7.269 38.999 5.283 1.00 0.00 ATOM 811 CA ILE 109 6.242 39.993 4.906 1.00 0.00 ATOM 812 CB ILE 109 4.891 39.644 5.400 1.00 0.00 ATOM 813 CG1 ILE 109 4.900 39.593 6.922 1.00 0.00 ATOM 814 CG2 ILE 109 4.439 38.347 4.703 1.00 0.00 ATOM 815 CD1 ILE 109 3.569 39.562 7.544 1.00 0.00 ATOM 816 O ILE 109 7.484 41.452 6.122 1.00 0.00 ATOM 817 C ILE 109 6.609 41.341 5.376 1.00 0.00 ATOM 818 N TYR 110 5.982 42.387 4.883 1.00 0.00 ATOM 819 CA TYR 110 6.379 43.704 5.285 1.00 0.00 ATOM 820 CB TYR 110 7.439 44.280 4.349 1.00 0.00 ATOM 821 CG TYR 110 8.021 45.558 4.866 1.00 0.00 ATOM 822 CD1 TYR 110 7.753 46.801 4.233 1.00 0.00 ATOM 823 CD2 TYR 110 8.775 45.567 6.066 1.00 0.00 ATOM 824 CE1 TYR 110 8.258 48.028 4.723 1.00 0.00 ATOM 825 CE2 TYR 110 9.351 46.768 6.575 1.00 0.00 ATOM 826 CZ TYR 110 9.062 48.006 5.896 1.00 0.00 ATOM 827 OH TYR 110 9.618 49.189 6.401 1.00 0.00 ATOM 828 O TYR 110 4.898 45.278 4.352 1.00 0.00 ATOM 829 C TYR 110 5.137 44.533 5.277 1.00 0.00 ATOM 830 N PRO 111 4.306 44.368 6.294 1.00 0.00 ATOM 831 CA PRO 111 2.982 45.004 6.300 1.00 0.00 ATOM 832 CB PRO 111 2.247 44.283 7.408 1.00 0.00 ATOM 833 CG PRO 111 3.324 43.829 8.333 1.00 0.00 ATOM 834 CD PRO 111 4.561 43.566 7.498 1.00 0.00 ATOM 835 O PRO 111 2.613 46.801 7.757 1.00 0.00 ATOM 836 C PRO 111 3.078 46.458 6.688 1.00 0.00 ATOM 837 N PHE 112 3.728 47.287 5.865 1.00 0.00 ATOM 838 CA PHE 112 3.803 48.711 6.147 1.00 0.00 ATOM 839 CB PHE 112 5.208 49.146 6.499 1.00 0.00 ATOM 840 CG PHE 112 5.709 48.613 7.802 1.00 0.00 ATOM 841 CD1 PHE 112 6.272 47.366 7.884 1.00 0.00 ATOM 842 CD2 PHE 112 5.650 49.377 8.941 1.00 0.00 ATOM 843 CE1 PHE 112 6.747 46.886 9.116 1.00 0.00 ATOM 844 CE2 PHE 112 6.121 48.917 10.154 1.00 0.00 ATOM 845 CZ PHE 112 6.687 47.705 10.238 1.00 0.00 ATOM 846 O PHE 112 3.649 49.264 3.846 1.00 0.00 ATOM 847 C PHE 112 3.293 49.524 4.983 1.00 0.00 ATOM 848 N ASP 113 2.439 50.506 5.262 1.00 0.00 ATOM 849 CA ASP 113 1.805 51.273 4.189 1.00 0.00 ATOM 850 CB ASP 113 0.518 51.927 4.681 1.00 0.00 ATOM 851 CG ASP 113 0.798 52.978 5.669 1.00 0.00 ATOM 852 OD1 ASP 113 1.778 53.734 5.477 1.00 0.00 ATOM 853 OD2 ASP 113 0.034 53.068 6.651 1.00 0.00 ATOM 854 O ASP 113 3.733 52.650 4.260 1.00 0.00 ATOM 855 C ASP 113 2.718 52.373 3.674 1.00 0.00 ATOM 856 N ALA 114 2.255 53.051 2.632 1.00 0.00 ATOM 857 CA ALA 114 3.001 54.067 1.937 1.00 0.00 ATOM 858 CB ALA 114 2.226 54.581 0.708 1.00 0.00 ATOM 859 O ALA 114 4.476 55.874 2.549 1.00 0.00 ATOM 860 C ALA 114 3.487 55.201 2.873 1.00 0.00 ATOM 861 N GLN 115 2.873 55.399 4.039 1.00 0.00 ATOM 862 CA GLN 115 3.452 56.386 4.952 1.00 0.00 ATOM 863 CB GLN 115 2.542 57.579 5.340 1.00 0.00 ATOM 864 CG GLN 115 1.024 57.346 5.314 1.00 0.00 ATOM 865 CD GLN 115 0.494 57.105 3.875 1.00 0.00 ATOM 866 OE1 GLN 115 0.768 57.920 2.971 1.00 0.00 ATOM 867 NE2 GLN 115 -0.250 55.962 3.654 1.00 0.00 ATOM 868 O GLN 115 4.205 56.288 7.194 1.00 0.00 ATOM 869 C GLN 115 4.097 55.725 6.112 1.00 0.00 ATOM 870 N GLY 116 4.575 54.507 5.851 1.00 0.00 ATOM 871 CA GLY 116 5.319 53.714 6.828 1.00 0.00 ATOM 872 O GLY 116 5.337 52.891 9.017 1.00 0.00 ATOM 873 C GLY 116 4.651 53.215 8.085 1.00 0.00 ATOM 874 N LEU 117 3.327 53.166 8.131 1.00 0.00 ATOM 875 CA LEU 117 2.619 52.593 9.277 1.00 0.00 ATOM 876 CB LEU 117 1.147 53.031 9.230 1.00 0.00 ATOM 877 CG LEU 117 0.449 54.015 10.204 1.00 0.00 ATOM 878 CD1 LEU 117 0.255 53.362 11.670 1.00 0.00 ATOM 879 CD2 LEU 117 1.105 55.537 10.177 1.00 0.00 ATOM 880 O LEU 117 2.129 50.461 8.281 1.00 0.00 ATOM 881 C LEU 117 2.574 51.056 9.270 1.00 0.00 ATOM 882 N ARG 118 2.943 50.415 10.376 1.00 0.00 ATOM 883 CA ARG 118 2.576 48.998 10.582 1.00 0.00 ATOM 884 CB ARG 118 2.903 48.559 12.004 1.00 0.00 ATOM 885 CG ARG 118 2.584 47.113 12.355 1.00 0.00 ATOM 886 CD ARG 118 3.643 46.435 13.299 1.00 0.00 ATOM 887 NE ARG 118 3.986 45.218 12.571 1.00 0.00 ATOM 888 CZ ARG 118 5.172 44.756 12.183 1.00 0.00 ATOM 889 NH1 ARG 118 6.335 45.279 12.537 1.00 0.00 ATOM 890 NH2 ARG 118 5.167 43.655 11.465 1.00 0.00 ATOM 891 O ARG 118 0.264 49.616 10.809 1.00 0.00 ATOM 892 C ARG 118 1.078 48.848 10.328 1.00 0.00 ATOM 893 N ARG 119 0.711 47.875 9.542 1.00 0.00 ATOM 894 CA ARG 119 -0.655 47.590 9.290 1.00 0.00 ATOM 895 CB ARG 119 -0.955 48.118 7.910 1.00 0.00 ATOM 896 CG ARG 119 -1.413 49.573 7.884 1.00 0.00 ATOM 897 CD ARG 119 -2.898 49.521 7.629 1.00 0.00 ATOM 898 NE ARG 119 -3.548 50.759 7.947 1.00 0.00 ATOM 899 CZ ARG 119 -3.624 51.793 7.101 1.00 0.00 ATOM 900 NH1 ARG 119 -3.103 51.699 5.852 1.00 0.00 ATOM 901 NH2 ARG 119 -4.233 52.919 7.500 1.00 0.00 ATOM 902 O ARG 119 0.083 45.286 9.496 1.00 0.00 ATOM 903 C ARG 119 -0.864 46.078 9.448 1.00 0.00 ATOM 904 N GLN 120 -2.078 45.627 9.606 1.00 0.00 ATOM 905 CA GLN 120 -2.221 44.180 9.743 1.00 0.00 ATOM 906 CB GLN 120 -3.516 43.865 10.355 1.00 0.00 ATOM 907 CG GLN 120 -3.433 44.083 11.766 1.00 0.00 ATOM 908 CD GLN 120 -4.645 43.525 12.397 1.00 0.00 ATOM 909 OE1 GLN 120 -4.587 42.899 13.482 1.00 0.00 ATOM 910 NE2 GLN 120 -5.782 43.693 11.701 1.00 0.00 ATOM 911 O GLN 120 -2.236 43.873 7.372 1.00 0.00 ATOM 912 C GLN 120 -2.124 43.357 8.483 1.00 0.00 ATOM 913 N SER 121 -1.962 42.051 8.693 1.00 0.00 ATOM 914 CA SER 121 -1.712 41.113 7.629 1.00 0.00 ATOM 915 CB SER 121 -1.583 39.731 8.247 1.00 0.00 ATOM 916 OG SER 121 -0.211 39.569 8.681 1.00 0.00 ATOM 917 O SER 121 -2.588 41.275 5.383 1.00 0.00 ATOM 918 C SER 121 -2.828 41.170 6.592 1.00 0.00 ATOM 919 N GLY 122 -4.052 41.156 7.081 1.00 0.00 ATOM 920 CA GLY 122 -5.171 41.325 6.216 1.00 0.00 ATOM 921 O GLY 122 -5.635 42.551 4.205 1.00 0.00 ATOM 922 C GLY 122 -5.078 42.549 5.322 1.00 0.00 ATOM 923 N ASP 123 -4.371 43.595 5.763 1.00 0.00 ATOM 924 CA ASP 123 -4.246 44.801 4.927 1.00 0.00 ATOM 925 CB ASP 123 -3.869 46.052 5.725 1.00 0.00 ATOM 926 CG ASP 123 -5.018 46.546 6.643 1.00 0.00 ATOM 927 OD1 ASP 123 -4.788 46.870 7.854 1.00 0.00 ATOM 928 OD2 ASP 123 -6.173 46.629 6.169 1.00 0.00 ATOM 929 O ASP 123 -3.211 45.425 2.930 1.00 0.00 ATOM 930 C ASP 123 -3.265 44.569 3.792 1.00 0.00 ATOM 931 N ILE 124 -2.515 43.432 3.763 1.00 0.00 ATOM 932 CA ILE 124 -1.639 43.164 2.604 1.00 0.00 ATOM 933 CB ILE 124 -0.749 41.924 2.692 1.00 0.00 ATOM 934 CG1 ILE 124 0.142 41.857 3.950 1.00 0.00 ATOM 935 CG2 ILE 124 0.083 41.784 1.408 1.00 0.00 ATOM 936 CD1 ILE 124 0.937 43.013 4.171 1.00 0.00 ATOM 937 O ILE 124 -3.279 42.024 1.380 1.00 0.00 ATOM 938 C ILE 124 -2.494 42.933 1.357 1.00 0.00 ATOM 939 N PRO 125 -2.289 43.706 0.261 1.00 0.00 ATOM 940 CA PRO 125 -3.055 43.558 -0.978 1.00 0.00 ATOM 941 CB PRO 125 -2.284 44.448 -1.991 1.00 0.00 ATOM 942 CG PRO 125 -0.949 44.626 -1.448 1.00 0.00 ATOM 943 CD PRO 125 -1.196 44.688 0.067 1.00 0.00 ATOM 944 O PRO 125 -1.933 41.567 -1.459 1.00 0.00 ATOM 945 C PRO 125 -2.984 42.156 -1.518 1.00 0.00 ATOM 946 N LYS 126 -4.069 41.676 -2.086 1.00 0.00 ATOM 947 CA LYS 126 -4.129 40.407 -2.773 1.00 0.00 ATOM 948 CB LYS 126 -5.522 39.789 -2.724 1.00 0.00 ATOM 949 CG LYS 126 -5.967 39.430 -1.279 1.00 0.00 ATOM 950 CD LYS 126 -6.967 40.481 -0.809 1.00 0.00 ATOM 951 CE LYS 126 -6.689 40.891 0.633 1.00 0.00 ATOM 952 NZ LYS 126 -6.923 39.794 1.670 1.00 0.00 ATOM 953 O LYS 126 -3.054 39.466 -4.589 1.00 0.00 ATOM 954 C LYS 126 -3.636 40.423 -4.186 1.00 0.00 ATOM 955 N ASN 127 -3.800 41.497 -4.935 1.00 0.00 ATOM 956 CA ASN 127 -3.156 41.602 -6.234 1.00 0.00 ATOM 957 CB ASN 127 -4.166 42.009 -7.283 1.00 0.00 ATOM 958 CG ASN 127 -5.553 41.642 -6.897 1.00 0.00 ATOM 959 ND2 ASN 127 -6.173 42.487 -6.041 1.00 0.00 ATOM 960 OD1 ASN 127 -6.095 40.602 -7.345 1.00 0.00 ATOM 961 O ASN 127 -2.177 43.725 -5.600 1.00 0.00 ATOM 962 C ASN 127 -2.050 42.653 -6.242 1.00 0.00 ATOM 963 N ILE 128 -0.992 42.342 -6.990 1.00 0.00 ATOM 964 CA ILE 128 0.067 43.255 -7.362 1.00 0.00 ATOM 965 CB ILE 128 0.862 42.621 -8.519 1.00 0.00 ATOM 966 CG1 ILE 128 1.529 41.302 -8.079 1.00 0.00 ATOM 967 CG2 ILE 128 1.942 43.507 -8.979 1.00 0.00 ATOM 968 CD1 ILE 128 2.794 41.531 -7.169 1.00 0.00 ATOM 969 O ILE 128 -0.029 45.645 -7.306 1.00 0.00 ATOM 970 C ILE 128 -0.463 44.631 -7.815 1.00 0.00 ATOM 971 N HIS 129 -1.399 44.674 -8.762 1.00 0.00 ATOM 972 CA HIS 129 -1.908 45.971 -9.218 1.00 0.00 ATOM 973 CB HIS 129 -2.865 45.802 -10.426 1.00 0.00 ATOM 974 CG HIS 129 -4.237 45.209 -10.098 1.00 0.00 ATOM 975 CD2 HIS 129 -4.958 44.219 -10.706 1.00 0.00 ATOM 976 ND1 HIS 129 -5.076 45.703 -9.101 1.00 0.00 ATOM 977 CE1 HIS 129 -6.227 45.033 -9.091 1.00 0.00 ATOM 978 NE2 HIS 129 -6.182 44.131 -10.059 1.00 0.00 ATOM 979 O HIS 129 -2.593 48.090 -8.273 1.00 0.00 ATOM 980 C HIS 129 -2.416 46.919 -8.052 1.00 0.00 ATOM 981 N ASP 130 -2.578 46.398 -6.820 1.00 0.00 ATOM 982 CA ASP 130 -2.907 47.182 -5.597 1.00 0.00 ATOM 983 CB ASP 130 -3.748 46.355 -4.639 1.00 0.00 ATOM 984 CG ASP 130 -5.160 46.060 -5.169 1.00 0.00 ATOM 985 OD1 ASP 130 -5.737 46.909 -5.894 1.00 0.00 ATOM 986 OD2 ASP 130 -5.679 44.953 -4.803 1.00 0.00 ATOM 987 O ASP 130 -1.930 48.279 -3.743 1.00 0.00 ATOM 988 C ASP 130 -1.732 47.683 -4.729 1.00 0.00 ATOM 989 N LEU 131 -0.494 47.422 -5.051 1.00 0.00 ATOM 990 CA LEU 131 0.556 48.084 -4.321 1.00 0.00 ATOM 991 CB LEU 131 1.862 47.708 -4.949 1.00 0.00 ATOM 992 CG LEU 131 2.014 46.212 -4.635 1.00 0.00 ATOM 993 CD1 LEU 131 3.235 45.592 -5.289 1.00 0.00 ATOM 994 CD2 LEU 131 2.108 46.025 -3.097 1.00 0.00 ATOM 995 O LEU 131 -0.048 50.182 -5.222 1.00 0.00 ATOM 996 C LEU 131 0.367 49.596 -4.266 1.00 0.00 ATOM 997 N GLU 132 0.638 50.184 -3.095 1.00 0.00 ATOM 998 CA GLU 132 0.659 51.617 -2.803 1.00 0.00 ATOM 999 CB GLU 132 0.445 51.830 -1.323 1.00 0.00 ATOM 1000 CG GLU 132 -0.936 51.591 -0.910 1.00 0.00 ATOM 1001 CD GLU 132 -1.162 51.726 0.618 1.00 0.00 ATOM 1002 OE1 GLU 132 -2.196 51.163 1.125 1.00 0.00 ATOM 1003 OE2 GLU 132 -0.344 52.408 1.306 1.00 0.00 ATOM 1004 O GLU 132 3.034 51.492 -3.121 1.00 0.00 ATOM 1005 C GLU 132 2.016 52.207 -3.126 1.00 0.00 ATOM 1006 N ASP 133 2.066 53.522 -3.350 1.00 0.00 ATOM 1007 CA ASP 133 3.322 54.143 -3.783 1.00 0.00 ATOM 1008 CB ASP 133 3.059 55.268 -4.766 1.00 0.00 ATOM 1009 CG ASP 133 4.338 56.042 -5.194 1.00 0.00 ATOM 1010 OD1 ASP 133 5.508 55.570 -5.125 1.00 0.00 ATOM 1011 OD2 ASP 133 4.165 57.189 -5.659 1.00 0.00 ATOM 1012 O ASP 133 3.371 55.548 -1.950 1.00 0.00 ATOM 1013 C ASP 133 3.960 54.658 -2.566 1.00 0.00 ATOM 1014 N ASP 134 5.131 54.113 -2.184 1.00 0.00 ATOM 1015 CA ASP 134 5.886 54.783 -1.131 1.00 0.00 ATOM 1016 CB ASP 134 6.207 53.891 0.049 1.00 0.00 ATOM 1017 CG ASP 134 7.188 54.553 1.087 1.00 0.00 ATOM 1018 OD1 ASP 134 7.466 55.793 0.964 1.00 0.00 ATOM 1019 OD2 ASP 134 7.708 53.830 2.038 1.00 0.00 ATOM 1020 O ASP 134 8.109 55.190 -2.061 1.00 0.00 ATOM 1021 C ASP 134 7.052 55.659 -1.687 1.00 0.00 ATOM 1022 N PRO 135 6.827 56.975 -1.763 1.00 0.00 ATOM 1023 CA PRO 135 7.856 57.787 -2.435 1.00 0.00 ATOM 1024 CB PRO 135 7.242 59.214 -2.501 1.00 0.00 ATOM 1025 CG PRO 135 6.120 59.213 -1.401 1.00 0.00 ATOM 1026 CD PRO 135 5.640 57.753 -1.316 1.00 0.00 ATOM 1027 O PRO 135 10.219 57.912 -2.273 1.00 0.00 ATOM 1028 C PRO 135 9.159 57.776 -1.668 1.00 0.00 ATOM 1029 N PHE 136 9.142 57.583 -0.359 1.00 0.00 ATOM 1030 CA PHE 136 10.473 57.425 0.301 1.00 0.00 ATOM 1031 CB PHE 136 10.465 57.716 1.807 1.00 0.00 ATOM 1032 CG PHE 136 10.185 59.148 2.084 1.00 0.00 ATOM 1033 CD1 PHE 136 8.852 59.593 2.240 1.00 0.00 ATOM 1034 CD2 PHE 136 11.221 60.103 2.028 1.00 0.00 ATOM 1035 CE1 PHE 136 8.564 60.939 2.406 1.00 0.00 ATOM 1036 CE2 PHE 136 10.936 61.483 2.198 1.00 0.00 ATOM 1037 CZ PHE 136 9.599 61.891 2.403 1.00 0.00 ATOM 1038 O PHE 136 12.377 56.047 -0.059 1.00 0.00 ATOM 1039 C PHE 136 11.128 56.124 -0.045 1.00 0.00 ATOM 1040 N ARG 137 10.320 55.112 -0.375 1.00 0.00 ATOM 1041 CA ARG 137 10.956 53.931 -0.841 1.00 0.00 ATOM 1042 CB ARG 137 9.945 52.854 -1.049 1.00 0.00 ATOM 1043 CG ARG 137 10.519 51.611 -1.602 1.00 0.00 ATOM 1044 CD ARG 137 11.512 51.039 -0.680 1.00 0.00 ATOM 1045 NE ARG 137 12.075 49.836 -1.237 1.00 0.00 ATOM 1046 CZ ARG 137 12.971 49.832 -2.229 1.00 0.00 ATOM 1047 NH1 ARG 137 13.373 50.981 -2.762 1.00 0.00 ATOM 1048 NH2 ARG 137 13.441 48.685 -2.710 1.00 0.00 ATOM 1049 O ARG 137 12.904 53.673 -2.278 1.00 0.00 ATOM 1050 C ARG 137 11.785 54.238 -2.115 1.00 0.00 ATOM 1051 N SER 138 11.290 55.128 -3.003 1.00 0.00 ATOM 1052 CA SER 138 12.015 55.414 -4.256 1.00 0.00 ATOM 1053 CB SER 138 11.205 56.248 -5.182 1.00 0.00 ATOM 1054 OG SER 138 10.089 55.559 -5.637 1.00 0.00 ATOM 1055 O SER 138 14.305 56.025 -4.583 1.00 0.00 ATOM 1056 C SER 138 13.242 56.208 -3.968 1.00 0.00 ATOM 1057 N LEU 139 13.080 57.146 -3.052 1.00 0.00 ATOM 1058 CA LEU 139 14.205 57.958 -2.647 1.00 0.00 ATOM 1059 CB LEU 139 13.784 59.013 -1.628 1.00 0.00 ATOM 1060 CG LEU 139 14.910 60.015 -1.347 1.00 0.00 ATOM 1061 CD1 LEU 139 15.276 60.871 -2.575 1.00 0.00 ATOM 1062 CD2 LEU 139 14.622 60.873 -0.171 1.00 0.00 ATOM 1063 O LEU 139 16.430 57.159 -2.517 1.00 0.00 ATOM 1064 C LEU 139 15.304 57.066 -2.062 1.00 0.00 ATOM 1065 N ALA 140 14.958 56.197 -1.092 1.00 0.00 ATOM 1066 CA ALA 140 15.900 55.284 -0.524 1.00 0.00 ATOM 1067 CB ALA 140 15.265 54.479 0.557 1.00 0.00 ATOM 1068 O ALA 140 17.750 54.159 -1.610 1.00 0.00 ATOM 1069 C ALA 140 16.552 54.397 -1.628 1.00 0.00 ATOM 1070 N GLY 141 15.803 53.961 -2.626 1.00 0.00 ATOM 1071 CA GLY 141 16.425 53.166 -3.742 1.00 0.00 ATOM 1072 O GLY 141 18.623 53.564 -4.644 1.00 0.00 ATOM 1073 C GLY 141 17.478 54.009 -4.433 1.00 0.00 ATOM 1074 N ALA 142 17.135 55.262 -4.724 1.00 0.00 ATOM 1075 CA ALA 142 17.926 56.044 -5.642 1.00 0.00 ATOM 1076 CB ALA 142 17.221 57.262 -6.008 1.00 0.00 ATOM 1077 O ALA 142 20.252 56.405 -5.504 1.00 0.00 ATOM 1078 C ALA 142 19.170 56.379 -4.899 1.00 0.00 ATOM 1079 N LEU 143 19.023 56.561 -3.582 1.00 0.00 ATOM 1080 CA LEU 143 20.115 56.886 -2.676 1.00 0.00 ATOM 1081 CB LEU 143 19.642 56.833 -1.247 1.00 0.00 ATOM 1082 CG LEU 143 20.128 57.702 -0.098 1.00 0.00 ATOM 1083 CD1 LEU 143 19.938 56.949 1.216 1.00 0.00 ATOM 1084 CD2 LEU 143 21.518 58.118 -0.234 1.00 0.00 ATOM 1085 O LEU 143 22.356 56.126 -2.812 1.00 0.00 ATOM 1086 C LEU 143 21.158 55.830 -2.760 1.00 0.00 ATOM 1087 N ARG 144 20.706 54.576 -2.771 1.00 0.00 ATOM 1088 CA ARG 144 21.660 53.522 -2.747 1.00 0.00 ATOM 1089 CB ARG 144 21.036 52.189 -2.456 1.00 0.00 ATOM 1090 CG ARG 144 22.099 51.180 -2.039 1.00 0.00 ATOM 1091 CD ARG 144 21.781 49.752 -2.406 1.00 0.00 ATOM 1092 NE ARG 144 20.367 49.601 -2.664 1.00 0.00 ATOM 1093 CZ ARG 144 19.897 49.170 -3.821 1.00 0.00 ATOM 1094 NH1 ARG 144 20.773 48.810 -4.759 1.00 0.00 ATOM 1095 NH2 ARG 144 18.567 49.089 -4.019 1.00 0.00 ATOM 1096 O ARG 144 23.551 53.278 -4.161 1.00 0.00 ATOM 1097 C ARG 144 22.349 53.487 -4.083 1.00 0.00 ATOM 1098 N MET 145 21.560 53.722 -5.119 1.00 0.00 ATOM 1099 CA MET 145 22.000 53.583 -6.452 1.00 0.00 ATOM 1100 CB MET 145 20.835 53.889 -7.321 1.00 0.00 ATOM 1101 CG MET 145 20.808 53.145 -8.562 1.00 0.00 ATOM 1102 SD MET 145 19.008 52.338 -8.722 1.00 0.00 ATOM 1103 CE MET 145 19.707 50.561 -9.506 1.00 0.00 ATOM 1104 O MET 145 23.890 54.543 -7.552 1.00 0.00 ATOM 1105 C MET 145 23.044 54.635 -6.637 1.00 0.00 ATOM 1106 N ALA 146 22.999 55.653 -5.773 1.00 0.00 ATOM 1107 CA ALA 146 23.932 56.766 -5.933 1.00 0.00 ATOM 1108 CB ALA 146 23.288 58.115 -5.574 1.00 0.00 ATOM 1109 O ALA 146 26.241 57.121 -5.455 1.00 0.00 ATOM 1110 C ALA 146 25.219 56.537 -5.162 1.00 0.00 ATOM 1111 N GLY 147 25.184 55.686 -4.164 1.00 0.00 ATOM 1112 CA GLY 147 26.400 55.335 -3.483 1.00 0.00 ATOM 1113 O GLY 147 27.207 55.906 -1.381 1.00 0.00 ATOM 1114 C GLY 147 26.258 55.813 -2.072 1.00 0.00 ATOM 1115 N GLY 148 25.061 56.114 -1.632 1.00 0.00 ATOM 1116 CA GLY 148 24.879 56.501 -0.277 1.00 0.00 ATOM 1117 O GLY 148 25.279 55.767 1.924 1.00 0.00 ATOM 1118 C GLY 148 24.962 55.419 0.785 1.00 0.00 ATOM 1119 N TYR 149 24.652 54.148 0.485 1.00 0.00 ATOM 1120 CA TYR 149 24.898 53.049 1.453 1.00 0.00 ATOM 1121 CB TYR 149 23.799 52.857 2.516 1.00 0.00 ATOM 1122 CG TYR 149 22.403 52.655 1.950 1.00 0.00 ATOM 1123 CD1 TYR 149 21.866 51.394 1.755 1.00 0.00 ATOM 1124 CD2 TYR 149 21.619 53.768 1.573 1.00 0.00 ATOM 1125 CE1 TYR 149 20.568 51.256 1.195 1.00 0.00 ATOM 1126 CE2 TYR 149 20.386 53.621 1.010 1.00 0.00 ATOM 1127 CZ TYR 149 19.854 52.396 0.833 1.00 0.00 ATOM 1128 OH TYR 149 18.579 52.333 0.267 1.00 0.00 ATOM 1129 O TYR 149 25.013 51.775 -0.539 1.00 0.00 ATOM 1130 C TYR 149 25.138 51.771 0.688 1.00 0.00 ATOM 1131 N ALA 150 25.506 50.695 1.369 1.00 0.00 ATOM 1132 CA ALA 150 25.755 49.449 0.677 1.00 0.00 ATOM 1133 CB ALA 150 26.999 48.791 1.236 1.00 0.00 ATOM 1134 O ALA 150 23.965 48.449 1.853 1.00 0.00 ATOM 1135 C ALA 150 24.605 48.480 0.800 1.00 0.00 ATOM 1136 N LYS 151 24.392 47.654 -0.239 1.00 0.00 ATOM 1137 CA LYS 151 23.550 46.449 -0.114 1.00 0.00 ATOM 1138 CB LYS 151 23.536 45.588 -1.385 1.00 0.00 ATOM 1139 CG LYS 151 23.045 46.310 -2.634 1.00 0.00 ATOM 1140 CD LYS 151 22.351 45.383 -3.677 1.00 0.00 ATOM 1141 CE LYS 151 22.683 45.803 -5.160 1.00 0.00 ATOM 1142 NZ LYS 151 22.844 44.657 -6.178 1.00 0.00 ATOM 1143 O LYS 151 25.257 45.579 1.303 1.00 0.00 ATOM 1144 C LYS 151 24.080 45.624 1.055 1.00 0.00 ATOM 1145 N VAL 152 23.208 44.980 1.786 1.00 0.00 ATOM 1146 CA VAL 152 23.569 44.255 2.947 1.00 0.00 ATOM 1147 CB VAL 152 23.428 45.237 4.155 1.00 0.00 ATOM 1148 CG1 VAL 152 22.941 44.571 5.418 1.00 0.00 ATOM 1149 CG2 VAL 152 24.745 45.913 4.449 1.00 0.00 ATOM 1150 O VAL 152 21.548 43.170 2.163 1.00 0.00 ATOM 1151 C VAL 152 22.562 43.095 2.906 1.00 0.00 ATOM 1152 N ILE 153 22.797 42.040 3.691 1.00 0.00 ATOM 1153 CA ILE 153 21.904 40.866 3.707 1.00 0.00 ATOM 1154 CB ILE 153 22.658 39.591 3.976 1.00 0.00 ATOM 1155 CG1 ILE 153 23.439 39.691 5.306 1.00 0.00 ATOM 1156 CG2 ILE 153 23.578 39.302 2.777 1.00 0.00 ATOM 1157 CD1 ILE 153 23.862 38.270 5.992 1.00 0.00 ATOM 1158 O ILE 153 19.628 40.276 4.260 1.00 0.00 ATOM 1159 C ILE 153 20.611 40.958 4.556 1.00 0.00 ATOM 1160 N ILE 154 20.607 41.788 5.593 1.00 0.00 ATOM 1161 CA ILE 154 19.379 42.293 6.229 1.00 0.00 ATOM 1162 CB ILE 154 19.707 43.678 6.877 1.00 0.00 ATOM 1163 CG1 ILE 154 20.482 43.516 8.198 1.00 0.00 ATOM 1164 CG2 ILE 154 18.462 44.572 7.017 1.00 0.00 ATOM 1165 CD1 ILE 154 21.879 42.711 8.085 1.00 0.00 ATOM 1166 O ILE 154 18.193 43.223 4.288 1.00 0.00 ATOM 1167 C ILE 154 18.144 42.481 5.291 1.00 0.00 ATOM 1168 N PRO 155 16.998 41.885 5.658 1.00 0.00 ATOM 1169 CA PRO 155 15.790 42.059 4.829 1.00 0.00 ATOM 1170 CB PRO 155 14.793 41.128 5.500 1.00 0.00 ATOM 1171 CG PRO 155 15.257 41.100 6.950 1.00 0.00 ATOM 1172 CD PRO 155 16.732 41.079 6.863 1.00 0.00 ATOM 1173 O PRO 155 15.368 44.150 5.947 1.00 0.00 ATOM 1174 C PRO 155 15.283 43.511 4.881 1.00 0.00 ATOM 1175 N PHE 156 14.799 44.045 3.750 1.00 0.00 ATOM 1176 CA PHE 156 14.136 45.341 3.800 1.00 0.00 ATOM 1177 CB PHE 156 12.953 45.201 4.781 1.00 0.00 ATOM 1178 CG PHE 156 11.967 44.045 4.432 1.00 0.00 ATOM 1179 CD1 PHE 156 11.692 43.032 5.363 1.00 0.00 ATOM 1180 CD2 PHE 156 11.297 43.996 3.173 1.00 0.00 ATOM 1181 CE1 PHE 156 10.788 42.002 5.061 1.00 0.00 ATOM 1182 CE2 PHE 156 10.391 42.945 2.855 1.00 0.00 ATOM 1183 CZ PHE 156 10.139 41.955 3.796 1.00 0.00 ATOM 1184 O PHE 156 14.660 47.423 4.913 1.00 0.00 ATOM 1185 C PHE 156 15.073 46.472 4.247 1.00 0.00 ATOM 1186 N SER 157 16.348 46.359 3.887 1.00 0.00 ATOM 1187 CA SER 157 17.374 47.404 4.108 1.00 0.00 ATOM 1188 CB SER 157 18.552 47.162 3.189 1.00 0.00 ATOM 1189 OG SER 157 19.720 47.934 3.544 1.00 0.00 ATOM 1190 O SER 157 16.899 49.686 4.463 1.00 0.00 ATOM 1191 C SER 157 16.835 48.736 3.712 1.00 0.00 ATOM 1192 N GLU 158 16.328 48.806 2.492 1.00 0.00 ATOM 1193 CA GLU 158 15.805 50.018 1.916 1.00 0.00 ATOM 1194 CB GLU 158 15.329 49.764 0.479 1.00 0.00 ATOM 1195 CG GLU 158 16.441 49.655 -0.530 1.00 0.00 ATOM 1196 CD GLU 158 16.979 48.255 -0.693 1.00 0.00 ATOM 1197 OE1 GLU 158 16.479 47.273 -0.027 1.00 0.00 ATOM 1198 OE2 GLU 158 17.934 48.155 -1.510 1.00 0.00 ATOM 1199 O GLU 158 14.635 51.821 2.914 1.00 0.00 ATOM 1200 C GLU 158 14.682 50.622 2.712 1.00 0.00 ATOM 1201 N PHE 159 13.786 49.803 3.176 1.00 0.00 ATOM 1202 CA PHE 159 12.715 50.343 3.923 1.00 0.00 ATOM 1203 CB PHE 159 11.615 49.305 4.102 1.00 0.00 ATOM 1204 CG PHE 159 10.613 49.304 2.958 1.00 0.00 ATOM 1205 CD1 PHE 159 10.504 48.212 2.094 1.00 0.00 ATOM 1206 CD2 PHE 159 9.813 50.439 2.706 1.00 0.00 ATOM 1207 CE1 PHE 159 9.574 48.238 1.027 1.00 0.00 ATOM 1208 CE2 PHE 159 8.882 50.479 1.644 1.00 0.00 ATOM 1209 CZ PHE 159 8.755 49.367 0.820 1.00 0.00 ATOM 1210 O PHE 159 12.525 51.968 5.700 1.00 0.00 ATOM 1211 C PHE 159 13.171 51.019 5.229 1.00 0.00 ATOM 1212 N GLY 160 14.318 50.578 5.759 1.00 0.00 ATOM 1213 CA GLY 160 14.973 51.222 6.908 1.00 0.00 ATOM 1214 O GLY 160 15.257 53.560 7.347 1.00 0.00 ATOM 1215 C GLY 160 15.478 52.606 6.597 1.00 0.00 ATOM 1216 N TRP 161 16.103 52.727 5.442 1.00 0.00 ATOM 1217 CA TRP 161 16.542 54.023 4.928 1.00 0.00 ATOM 1218 CB TRP 161 17.472 53.837 3.731 1.00 0.00 ATOM 1219 CG TRP 161 18.848 53.441 4.215 1.00 0.00 ATOM 1220 CD1 TRP 161 19.313 52.174 4.444 1.00 0.00 ATOM 1221 CD2 TRP 161 19.879 54.323 4.639 1.00 0.00 ATOM 1222 CE2 TRP 161 20.945 53.525 5.078 1.00 0.00 ATOM 1223 CE3 TRP 161 20.017 55.730 4.658 1.00 0.00 ATOM 1224 NE1 TRP 161 20.563 52.223 4.939 1.00 0.00 ATOM 1225 CZ2 TRP 161 22.145 54.059 5.514 1.00 0.00 ATOM 1226 CZ3 TRP 161 21.211 56.275 5.108 1.00 0.00 ATOM 1227 CH2 TRP 161 22.271 55.428 5.524 1.00 0.00 ATOM 1228 O TRP 161 15.379 56.136 4.910 1.00 0.00 ATOM 1229 C TRP 161 15.357 54.928 4.590 1.00 0.00 ATOM 1230 N ALA 162 14.321 54.354 3.981 1.00 0.00 ATOM 1231 CA ALA 162 13.146 55.142 3.696 1.00 0.00 ATOM 1232 CB ALA 162 12.152 54.352 2.861 1.00 0.00 ATOM 1233 O ALA 162 12.094 56.804 5.043 1.00 0.00 ATOM 1234 C ALA 162 12.495 55.673 4.985 1.00 0.00 ATOM 1235 N ASP 163 12.412 54.870 6.032 1.00 0.00 ATOM 1236 CA ASP 163 11.862 55.404 7.233 1.00 0.00 ATOM 1237 CB ASP 163 11.533 54.271 8.209 1.00 0.00 ATOM 1238 CG ASP 163 11.404 54.780 9.668 1.00 0.00 ATOM 1239 OD1 ASP 163 10.605 55.750 9.901 1.00 0.00 ATOM 1240 OD2 ASP 163 12.094 54.256 10.598 1.00 0.00 ATOM 1241 O ASP 163 12.296 57.605 8.218 1.00 0.00 ATOM 1242 C ASP 163 12.767 56.550 7.816 1.00 0.00 ATOM 1243 N PHE 164 14.076 56.379 7.805 1.00 0.00 ATOM 1244 CA PHE 164 14.975 57.436 8.250 1.00 0.00 ATOM 1245 CB PHE 164 16.397 56.927 8.048 1.00 0.00 ATOM 1246 CG PHE 164 17.489 57.939 8.315 1.00 0.00 ATOM 1247 CD1 PHE 164 17.870 58.249 9.598 1.00 0.00 ATOM 1248 CD2 PHE 164 18.205 58.507 7.267 1.00 0.00 ATOM 1249 CE1 PHE 164 18.895 59.125 9.837 1.00 0.00 ATOM 1250 CE2 PHE 164 19.238 59.402 7.527 1.00 0.00 ATOM 1251 CZ PHE 164 19.560 59.700 8.801 1.00 0.00 ATOM 1252 O PHE 164 14.394 59.758 8.044 1.00 0.00 ATOM 1253 C PHE 164 14.679 58.729 7.458 1.00 0.00 ATOM 1254 N LEU 165 14.662 58.660 6.125 1.00 0.00 ATOM 1255 CA LEU 165 14.518 59.846 5.362 1.00 0.00 ATOM 1256 CB LEU 165 14.732 59.610 3.890 1.00 0.00 ATOM 1257 CG LEU 165 16.063 58.942 3.532 1.00 0.00 ATOM 1258 CD1 LEU 165 15.922 58.183 2.260 1.00 0.00 ATOM 1259 CD2 LEU 165 17.280 59.908 3.498 1.00 0.00 ATOM 1260 O LEU 165 12.966 61.693 5.508 1.00 0.00 ATOM 1261 C LEU 165 13.138 60.433 5.624 1.00 0.00 ATOM 1262 N ARG 166 12.149 59.607 6.006 1.00 0.00 ATOM 1263 CA ARG 166 10.810 60.144 5.839 1.00 0.00 ATOM 1264 CB ARG 166 9.700 59.136 5.651 1.00 0.00 ATOM 1265 CG ARG 166 8.653 59.022 6.737 1.00 0.00 ATOM 1266 CD ARG 166 8.146 57.522 6.785 1.00 0.00 ATOM 1267 NE ARG 166 7.479 57.244 5.510 1.00 0.00 ATOM 1268 CZ ARG 166 7.797 56.293 4.652 1.00 0.00 ATOM 1269 NH1 ARG 166 8.719 55.426 4.918 1.00 0.00 ATOM 1270 NH2 ARG 166 7.130 56.214 3.524 1.00 0.00 ATOM 1271 O ARG 166 9.680 61.874 6.913 1.00 0.00 ATOM 1272 C ARG 166 10.566 60.989 6.988 1.00 0.00 ATOM 1273 N ARG 167 11.381 60.784 8.028 1.00 0.00 ATOM 1274 CA ARG 167 11.214 61.601 9.234 1.00 0.00 ATOM 1275 CB ARG 167 11.564 60.791 10.468 1.00 0.00 ATOM 1276 CG ARG 167 11.182 59.345 10.356 1.00 0.00 ATOM 1277 CD ARG 167 11.667 58.522 11.530 1.00 0.00 ATOM 1278 NE ARG 167 10.642 58.539 12.541 1.00 0.00 ATOM 1279 CZ ARG 167 9.977 57.478 12.987 1.00 0.00 ATOM 1280 NH1 ARG 167 10.225 56.271 12.516 1.00 0.00 ATOM 1281 NH2 ARG 167 9.048 57.643 13.928 1.00 0.00 ATOM 1282 O ARG 167 12.000 63.674 10.076 1.00 0.00 ATOM 1283 C ARG 167 12.023 62.899 9.174 1.00 0.00 ATOM 1284 N ARG 168 12.689 63.134 8.054 1.00 0.00 ATOM 1285 CA ARG 168 13.731 64.147 7.942 1.00 0.00 ATOM 1286 CB ARG 168 15.082 63.461 7.966 1.00 0.00 ATOM 1287 CG ARG 168 15.541 63.216 9.361 1.00 0.00 ATOM 1288 CD ARG 168 16.724 62.316 9.403 1.00 0.00 ATOM 1289 NE ARG 168 16.948 61.891 10.781 1.00 0.00 ATOM 1290 CZ ARG 168 16.352 60.849 11.336 1.00 0.00 ATOM 1291 NH1 ARG 168 15.521 60.133 10.595 1.00 0.00 ATOM 1292 NH2 ARG 168 16.608 60.504 12.599 1.00 0.00 ATOM 1293 O ARG 168 14.299 65.933 6.563 1.00 0.00 ATOM 1294 C ARG 168 13.689 64.926 6.662 1.00 0.00 ATOM 1295 N ILE 169 13.058 64.421 5.623 1.00 0.00 ATOM 1296 CA ILE 169 12.977 65.210 4.431 1.00 0.00 ATOM 1297 CB ILE 169 13.689 64.532 3.264 1.00 0.00 ATOM 1298 CG1 ILE 169 15.191 64.358 3.530 1.00 0.00 ATOM 1299 CG2 ILE 169 13.488 65.313 1.966 1.00 0.00 ATOM 1300 CD1 ILE 169 15.891 63.563 2.368 1.00 0.00 ATOM 1301 O ILE 169 10.643 64.573 4.301 1.00 0.00 ATOM 1302 C ILE 169 11.490 65.472 4.185 1.00 0.00 ATOM 1303 N ASP 170 11.195 66.726 3.900 1.00 0.00 ATOM 1304 CA ASP 170 9.853 67.233 3.637 1.00 0.00 ATOM 1305 CB ASP 170 10.083 68.737 3.423 1.00 0.00 ATOM 1306 CG ASP 170 8.847 69.531 3.211 1.00 0.00 ATOM 1307 OD1 ASP 170 7.712 69.027 3.126 1.00 0.00 ATOM 1308 OD2 ASP 170 9.024 70.769 3.107 1.00 0.00 ATOM 1309 O ASP 170 9.948 66.450 1.388 1.00 0.00 ATOM 1310 C ASP 170 9.249 66.517 2.389 1.00 0.00 ATOM 1311 N ARG 171 8.012 65.965 2.426 1.00 0.00 ATOM 1312 CA ARG 171 7.447 65.324 1.187 1.00 0.00 ATOM 1313 CB ARG 171 6.045 64.757 1.373 1.00 0.00 ATOM 1314 CG ARG 171 5.799 64.020 2.617 1.00 0.00 ATOM 1315 CD ARG 171 4.286 64.250 3.052 1.00 0.00 ATOM 1316 NE ARG 171 3.902 63.238 4.061 1.00 0.00 ATOM 1317 CZ ARG 171 3.004 63.407 5.034 1.00 0.00 ATOM 1318 NH1 ARG 171 2.339 64.566 5.154 1.00 0.00 ATOM 1319 NH2 ARG 171 2.769 62.404 5.890 1.00 0.00 ATOM 1320 O ARG 171 7.479 65.890 -1.198 1.00 0.00 ATOM 1321 C ARG 171 7.337 66.291 -0.021 1.00 0.00 ATOM 1322 N ASP 172 7.025 67.533 0.297 1.00 0.00 ATOM 1323 CA ASP 172 7.005 68.588 -0.652 1.00 0.00 ATOM 1324 CB ASP 172 6.463 69.864 0.037 1.00 0.00 ATOM 1325 CG ASP 172 4.981 69.690 0.456 1.00 0.00 ATOM 1326 OD1 ASP 172 4.414 68.609 0.130 1.00 0.00 ATOM 1327 OD2 ASP 172 4.375 70.602 1.086 1.00 0.00 ATOM 1328 O ASP 172 8.362 69.292 -2.508 1.00 0.00 ATOM 1329 C ASP 172 8.346 68.811 -1.370 1.00 0.00 ATOM 1330 N LEU 173 9.472 68.461 -0.747 1.00 0.00 ATOM 1331 CA LEU 173 10.736 68.620 -1.435 1.00 0.00 ATOM 1332 CB LEU 173 11.890 68.482 -0.465 1.00 0.00 ATOM 1333 CG LEU 173 13.162 69.328 -0.727 1.00 0.00 ATOM 1334 CD1 LEU 173 14.435 68.458 -0.860 1.00 0.00 ATOM 1335 CD2 LEU 173 13.040 70.455 -1.868 1.00 0.00 ATOM 1336 O LEU 173 11.346 67.712 -3.542 1.00 0.00 ATOM 1337 C LEU 173 10.816 67.531 -2.454 1.00 0.00 ATOM 1338 N LEU 174 10.243 66.405 -2.070 1.00 0.00 ATOM 1339 CA LEU 174 10.362 65.154 -2.791 1.00 0.00 ATOM 1340 CB LEU 174 9.873 63.996 -1.925 1.00 0.00 ATOM 1341 CG LEU 174 10.779 62.796 -1.879 1.00 0.00 ATOM 1342 CD1 LEU 174 10.164 61.551 -1.223 1.00 0.00 ATOM 1343 CD2 LEU 174 11.299 62.445 -3.263 1.00 0.00 ATOM 1344 O LEU 174 9.842 64.497 -5.023 1.00 0.00 ATOM 1345 C LEU 174 9.519 65.181 -4.047 1.00 0.00 ATOM 1346 N SER 175 8.413 65.898 -4.032 1.00 0.00 ATOM 1347 CA SER 175 7.662 65.905 -5.258 1.00 0.00 ATOM 1348 CB SER 175 6.162 65.839 -5.019 1.00 0.00 ATOM 1349 OG SER 175 5.878 66.477 -3.813 1.00 0.00 ATOM 1350 O SER 175 7.931 67.078 -7.300 1.00 0.00 ATOM 1351 C SER 175 8.043 67.113 -6.081 1.00 0.00 ATOM 1352 N ASP 176 8.467 68.177 -5.397 1.00 0.00 ATOM 1353 CA ASP 176 8.894 69.396 -6.031 1.00 0.00 ATOM 1354 CB ASP 176 9.314 70.450 -4.997 1.00 0.00 ATOM 1355 CG ASP 176 8.153 71.353 -4.453 1.00 0.00 ATOM 1356 OD1 ASP 176 6.910 71.251 -4.740 1.00 0.00 ATOM 1357 OD2 ASP 176 8.577 72.212 -3.655 1.00 0.00 ATOM 1358 O ASP 176 10.153 69.268 -8.081 1.00 0.00 ATOM 1359 C ASP 176 10.128 69.043 -6.852 1.00 0.00 ATOM 1360 N SER 177 11.150 68.509 -6.170 1.00 0.00 ATOM 1361 CA SER 177 12.415 68.210 -6.792 1.00 0.00 ATOM 1362 CB SER 177 13.400 69.371 -6.718 1.00 0.00 ATOM 1363 OG SER 177 14.637 68.970 -7.341 1.00 0.00 ATOM 1364 O SER 177 13.704 67.027 -5.142 1.00 0.00 ATOM 1365 C SER 177 13.059 66.983 -6.199 1.00 0.00 ATOM 1366 N PHE 178 12.901 65.887 -6.924 1.00 0.00 ATOM 1367 CA PHE 178 13.480 64.645 -6.555 1.00 0.00 ATOM 1368 CB PHE 178 13.205 63.592 -7.624 1.00 0.00 ATOM 1369 CG PHE 178 13.464 62.221 -7.132 1.00 0.00 ATOM 1370 CD1 PHE 178 12.508 61.576 -6.343 1.00 0.00 ATOM 1371 CD2 PHE 178 14.699 61.612 -7.333 1.00 0.00 ATOM 1372 CE1 PHE 178 12.737 60.288 -5.824 1.00 0.00 ATOM 1373 CE2 PHE 178 14.953 60.356 -6.799 1.00 0.00 ATOM 1374 CZ PHE 178 13.941 59.680 -6.033 1.00 0.00 ATOM 1375 O PHE 178 15.507 64.221 -5.296 1.00 0.00 ATOM 1376 C PHE 178 14.987 64.747 -6.303 1.00 0.00 ATOM 1377 N ASP 179 15.696 65.420 -7.221 1.00 0.00 ATOM 1378 CA ASP 179 17.149 65.422 -7.173 1.00 0.00 ATOM 1379 CB ASP 179 17.758 65.818 -8.508 1.00 0.00 ATOM 1380 CG ASP 179 17.510 64.749 -9.611 1.00 0.00 ATOM 1381 OD1 ASP 179 17.975 63.546 -9.504 1.00 0.00 ATOM 1382 OD2 ASP 179 16.844 65.130 -10.601 1.00 0.00 ATOM 1383 O ASP 179 18.601 65.856 -5.378 1.00 0.00 ATOM 1384 C ASP 179 17.632 66.242 -6.008 1.00 0.00 ATOM 1385 N ASP 180 16.920 67.313 -5.670 1.00 0.00 ATOM 1386 CA ASP 180 17.207 68.025 -4.441 1.00 0.00 ATOM 1387 CB ASP 180 16.460 69.337 -4.375 1.00 0.00 ATOM 1388 CG ASP 180 16.846 70.254 -5.460 1.00 0.00 ATOM 1389 OD1 ASP 180 17.886 70.010 -6.107 1.00 0.00 ATOM 1390 OD2 ASP 180 16.111 71.220 -5.681 1.00 0.00 ATOM 1391 O ASP 180 17.449 67.355 -2.161 1.00 0.00 ATOM 1392 C ASP 180 16.834 67.205 -3.210 1.00 0.00 ATOM 1393 N ALA 181 15.811 66.359 -3.298 1.00 0.00 ATOM 1394 CA ALA 181 15.550 65.490 -2.159 1.00 0.00 ATOM 1395 CB ALA 181 14.208 64.814 -2.265 1.00 0.00 ATOM 1396 O ALA 181 17.028 64.043 -0.949 1.00 0.00 ATOM 1397 C ALA 181 16.674 64.454 -2.054 1.00 0.00 ATOM 1398 N LEU 182 17.245 64.073 -3.194 1.00 0.00 ATOM 1399 CA LEU 182 18.233 63.037 -3.231 1.00 0.00 ATOM 1400 CB LEU 182 18.515 62.653 -4.689 1.00 0.00 ATOM 1401 CG LEU 182 18.959 61.244 -5.000 1.00 0.00 ATOM 1402 CD1 LEU 182 19.714 61.190 -6.317 1.00 0.00 ATOM 1403 CD2 LEU 182 19.767 60.644 -3.853 1.00 0.00 ATOM 1404 O LEU 182 20.164 63.017 -1.826 1.00 0.00 ATOM 1405 C LEU 182 19.478 63.640 -2.642 1.00 0.00 ATOM 1406 N ALA 183 19.729 64.893 -3.032 1.00 0.00 ATOM 1407 CA ALA 183 20.933 65.619 -2.594 1.00 0.00 ATOM 1408 CB ALA 183 21.088 67.030 -3.337 1.00 0.00 ATOM 1409 O ALA 183 21.962 65.602 -0.434 1.00 0.00 ATOM 1410 C ALA 183 20.928 65.761 -1.077 1.00 0.00 ATOM 1411 N GLU 184 19.756 66.021 -0.515 1.00 0.00 ATOM 1412 CA GLU 184 19.623 66.050 0.921 1.00 0.00 ATOM 1413 CB GLU 184 18.251 66.582 1.347 1.00 0.00 ATOM 1414 CG GLU 184 18.376 68.050 1.649 1.00 0.00 ATOM 1415 CD GLU 184 17.589 68.531 2.899 1.00 0.00 ATOM 1416 OE1 GLU 184 17.224 67.683 3.798 1.00 0.00 ATOM 1417 OE2 GLU 184 17.377 69.797 2.974 1.00 0.00 ATOM 1418 O GLU 184 20.661 64.658 2.539 1.00 0.00 ATOM 1419 C GLU 184 19.914 64.710 1.561 1.00 0.00 ATOM 1420 N ALA 185 19.324 63.663 1.003 1.00 0.00 ATOM 1421 CA ALA 185 19.460 62.335 1.509 1.00 0.00 ATOM 1422 CB ALA 185 18.701 61.368 0.599 1.00 0.00 ATOM 1423 O ALA 185 21.444 61.279 2.501 1.00 0.00 ATOM 1424 C ALA 185 20.921 61.929 1.547 1.00 0.00 ATOM 1425 N MET 186 21.585 62.310 0.469 1.00 0.00 ATOM 1426 CA MET 186 23.005 62.065 0.325 1.00 0.00 ATOM 1427 CB MET 186 23.399 62.419 -1.093 1.00 0.00 ATOM 1428 CG MET 186 24.793 62.155 -1.432 1.00 0.00 ATOM 1429 SD MET 186 25.283 60.288 -1.135 1.00 0.00 ATOM 1430 CE MET 186 27.146 60.403 -1.868 1.00 0.00 ATOM 1431 O MET 186 24.750 62.235 2.016 1.00 0.00 ATOM 1432 C MET 186 23.824 62.806 1.425 1.00 0.00 ATOM 1433 N LYS 187 23.473 64.062 1.720 1.00 0.00 ATOM 1434 CA LYS 187 24.089 64.745 2.859 1.00 0.00 ATOM 1435 CB LYS 187 23.681 66.198 2.896 1.00 0.00 ATOM 1436 CG LYS 187 24.012 66.989 4.101 1.00 0.00 ATOM 1437 CD LYS 187 24.179 68.465 3.605 1.00 0.00 ATOM 1438 CE LYS 187 24.090 69.543 4.684 1.00 0.00 ATOM 1439 NZ LYS 187 22.828 70.353 4.496 1.00 0.00 ATOM 1440 O LYS 187 24.551 63.949 5.086 1.00 0.00 ATOM 1441 C LYS 187 23.730 63.987 4.168 1.00 0.00 ATOM 1442 N LEU 188 22.563 63.344 4.252 1.00 0.00 ATOM 1443 CA LEU 188 22.228 62.805 5.523 1.00 0.00 ATOM 1444 CB LEU 188 20.716 62.715 5.703 1.00 0.00 ATOM 1445 CG LEU 188 19.863 63.962 6.001 1.00 0.00 ATOM 1446 CD1 LEU 188 18.544 63.794 5.323 1.00 0.00 ATOM 1447 CD2 LEU 188 19.680 64.348 7.496 1.00 0.00 ATOM 1448 O LEU 188 23.460 61.131 6.799 1.00 0.00 ATOM 1449 C LEU 188 22.908 61.433 5.709 1.00 0.00 ATOM 1450 N ALA 189 22.822 60.598 4.659 1.00 0.00 ATOM 1451 CA ALA 189 23.451 59.278 4.632 1.00 0.00 ATOM 1452 CB ALA 189 23.506 58.822 3.249 1.00 0.00 ATOM 1453 O ALA 189 25.254 58.499 6.093 1.00 0.00 ATOM 1454 C ALA 189 24.886 59.324 5.235 1.00 0.00 ATOM 1455 N LYS 190 25.675 60.283 4.768 1.00 0.00 ATOM 1456 CA LYS 190 27.006 60.514 5.236 1.00 0.00 ATOM 1457 CB LYS 190 27.720 61.555 4.316 1.00 0.00 ATOM 1458 CG LYS 190 27.978 61.138 2.837 1.00 0.00 ATOM 1459 CD LYS 190 28.632 59.673 2.661 1.00 0.00 ATOM 1460 CE LYS 190 27.663 58.583 2.079 1.00 0.00 ATOM 1461 NZ LYS 190 28.415 57.775 1.062 1.00 0.00 ATOM 1462 O LYS 190 28.193 61.280 7.146 1.00 0.00 ATOM 1463 C LYS 190 27.103 61.078 6.651 1.00 0.00 ATOM 1464 N SER 191 26.016 61.451 7.285 1.00 0.00 ATOM 1465 CA SER 191 26.193 62.108 8.564 1.00 0.00 ATOM 1466 CB SER 191 25.090 63.130 8.886 1.00 0.00 ATOM 1467 OG SER 191 23.871 62.445 9.203 1.00 0.00 ATOM 1468 O SER 191 25.792 59.895 9.367 1.00 0.00 ATOM 1469 C SER 191 26.247 61.015 9.591 1.00 0.00 ATOM 1470 N ARG 192 26.846 61.361 10.723 1.00 0.00 ATOM 1471 CA ARG 192 26.856 60.500 11.860 1.00 0.00 ATOM 1472 CB ARG 192 27.722 61.081 12.974 1.00 0.00 ATOM 1473 CG ARG 192 29.128 60.321 13.053 1.00 0.00 ATOM 1474 CD ARG 192 29.979 60.778 14.235 1.00 0.00 ATOM 1475 NE ARG 192 29.976 62.242 14.293 1.00 0.00 ATOM 1476 CZ ARG 192 30.695 62.976 15.155 1.00 0.00 ATOM 1477 NH1 ARG 192 31.483 62.374 16.051 1.00 0.00 ATOM 1478 NH2 ARG 192 30.650 64.316 15.119 1.00 0.00 ATOM 1479 O ARG 192 25.286 59.016 12.845 1.00 0.00 ATOM 1480 C ARG 192 25.439 60.096 12.288 1.00 0.00 ATOM 1481 N GLU 193 24.411 60.889 11.966 1.00 0.00 ATOM 1482 CA GLU 193 23.046 60.560 12.338 1.00 0.00 ATOM 1483 CB GLU 193 22.136 61.705 11.958 1.00 0.00 ATOM 1484 CG GLU 193 20.793 61.681 12.763 1.00 0.00 ATOM 1485 CD GLU 193 20.157 63.078 12.993 1.00 0.00 ATOM 1486 OE1 GLU 193 19.178 63.477 12.261 1.00 0.00 ATOM 1487 OE2 GLU 193 20.659 63.777 13.916 1.00 0.00 ATOM 1488 O GLU 193 21.643 58.540 12.385 1.00 0.00 ATOM 1489 C GLU 193 22.478 59.230 11.752 1.00 0.00 ATOM 1490 N ALA 194 22.932 58.876 10.552 1.00 0.00 ATOM 1491 CA ALA 194 22.536 57.665 9.915 1.00 0.00 ATOM 1492 CB ALA 194 22.596 57.848 8.423 1.00 0.00 ATOM 1493 O ALA 194 23.320 55.417 9.749 1.00 0.00 ATOM 1494 C ALA 194 23.428 56.507 10.334 1.00 0.00 ATOM 1495 N ARG 195 24.308 56.692 11.324 1.00 0.00 ATOM 1496 CA ARG 195 25.265 55.615 11.646 1.00 0.00 ATOM 1497 CB ARG 195 26.319 56.045 12.675 1.00 0.00 ATOM 1498 CG ARG 195 25.809 56.102 14.135 1.00 0.00 ATOM 1499 CD ARG 195 26.743 56.894 15.105 1.00 0.00 ATOM 1500 NE ARG 195 25.934 57.571 16.141 1.00 0.00 ATOM 1501 CZ ARG 195 25.767 58.897 16.281 1.00 0.00 ATOM 1502 NH1 ARG 195 26.373 59.771 15.491 1.00 0.00 ATOM 1503 NH2 ARG 195 25.001 59.370 17.247 1.00 0.00 ATOM 1504 O ARG 195 25.321 53.268 11.860 1.00 0.00 ATOM 1505 C ARG 195 24.675 54.262 12.026 1.00 0.00 ATOM 1506 N HIS 196 23.450 54.242 12.511 1.00 0.00 ATOM 1507 CA HIS 196 22.784 53.062 13.069 1.00 0.00 ATOM 1508 CB HIS 196 21.677 53.496 13.989 1.00 0.00 ATOM 1509 CG HIS 196 20.758 54.453 13.324 1.00 0.00 ATOM 1510 CD2 HIS 196 20.973 55.709 12.855 1.00 0.00 ATOM 1511 ND1 HIS 196 19.494 54.100 12.902 1.00 0.00 ATOM 1512 CE1 HIS 196 18.941 55.123 12.270 1.00 0.00 ATOM 1513 NE2 HIS 196 19.822 56.104 12.213 1.00 0.00 ATOM 1514 O HIS 196 21.502 51.276 12.302 1.00 0.00 ATOM 1515 C HIS 196 22.097 52.281 11.997 1.00 0.00 ATOM 1516 N LEU 197 22.129 52.751 10.752 1.00 0.00 ATOM 1517 CA LEU 197 21.442 52.092 9.647 1.00 0.00 ATOM 1518 CB LEU 197 21.028 53.096 8.613 1.00 0.00 ATOM 1519 CG LEU 197 19.884 54.020 9.077 1.00 0.00 ATOM 1520 CD1 LEU 197 19.802 55.245 8.162 1.00 0.00 ATOM 1521 CD2 LEU 197 18.520 53.307 9.157 1.00 0.00 ATOM 1522 O LEU 197 23.505 51.208 8.913 1.00 0.00 ATOM 1523 C LEU 197 22.291 51.062 8.961 1.00 0.00 ATOM 1524 N PRO 198 21.677 50.022 8.366 1.00 0.00 ATOM 1525 CA PRO 198 22.510 48.985 7.750 1.00 0.00 ATOM 1526 CB PRO 198 21.483 47.927 7.374 1.00 0.00 ATOM 1527 CG PRO 198 20.188 48.718 7.130 1.00 0.00 ATOM 1528 CD PRO 198 20.226 49.794 8.149 1.00 0.00 ATOM 1529 O PRO 198 22.446 50.132 5.671 1.00 0.00 ATOM 1530 C PRO 198 23.125 49.511 6.475 1.00 0.00 ATOM 1531 N GLY 199 24.387 49.258 6.244 1.00 0.00 ATOM 1532 CA GLY 199 25.001 49.706 4.996 1.00 0.00 ATOM 1533 O GLY 199 26.052 51.657 4.207 1.00 0.00 ATOM 1534 C GLY 199 25.582 51.076 5.182 1.00 0.00 ATOM 1535 N TRP 200 25.546 51.615 6.413 1.00 0.00 ATOM 1536 CA TRP 200 26.063 52.940 6.616 1.00 0.00 ATOM 1537 CB TRP 200 25.708 53.519 7.963 1.00 0.00 ATOM 1538 CG TRP 200 26.301 54.922 8.225 1.00 0.00 ATOM 1539 CD1 TRP 200 25.706 56.142 7.954 1.00 0.00 ATOM 1540 CD2 TRP 200 27.557 55.231 8.854 1.00 0.00 ATOM 1541 CE2 TRP 200 27.659 56.645 8.937 1.00 0.00 ATOM 1542 CE3 TRP 200 28.598 54.464 9.362 1.00 0.00 ATOM 1543 NE1 TRP 200 26.520 57.176 8.380 1.00 0.00 ATOM 1544 CZ2 TRP 200 28.785 57.294 9.501 1.00 0.00 ATOM 1545 CZ3 TRP 200 29.766 55.140 9.917 1.00 0.00 ATOM 1546 CH2 TRP 200 29.820 56.525 9.975 1.00 0.00 ATOM 1547 O TRP 200 28.346 52.142 6.826 1.00 0.00 ATOM 1548 C TRP 200 27.567 53.005 6.416 1.00 0.00 ATOM 1549 N CYS 201 27.938 54.162 5.908 1.00 0.00 ATOM 1550 CA CYS 201 29.025 54.332 5.016 1.00 0.00 ATOM 1551 CB CYS 201 28.435 54.054 3.626 1.00 0.00 ATOM 1552 SG CYS 201 29.685 53.666 2.401 1.00 0.00 ATOM 1553 O CYS 201 29.193 56.621 4.294 1.00 0.00 ATOM 1554 C CYS 201 29.490 55.809 5.139 1.00 0.00 ATOM 1555 N GLY 202 30.170 56.178 6.208 1.00 0.00 ATOM 1556 CA GLY 202 30.661 57.533 6.333 1.00 0.00 ATOM 1557 O GLY 202 32.460 56.611 7.634 1.00 0.00 ATOM 1558 C GLY 202 31.854 57.642 7.258 1.00 0.00 ATOM 1559 N VAL 203 32.200 58.879 7.650 1.00 0.00 ATOM 1560 CA VAL 203 33.338 59.061 8.557 1.00 0.00 ATOM 1561 CB VAL 203 34.006 60.476 8.396 1.00 0.00 ATOM 1562 CG1 VAL 203 35.338 60.596 9.194 1.00 0.00 ATOM 1563 CG2 VAL 203 34.241 60.778 6.902 1.00 0.00 ATOM 1564 O VAL 203 31.909 59.041 10.523 1.00 0.00 ATOM 1565 C VAL 203 32.988 58.682 10.012 1.00 0.00 ATOM 1566 N GLU 204 33.871 57.895 10.631 1.00 0.00 ATOM 1567 CA GLU 204 33.760 57.560 12.054 1.00 0.00 ATOM 1568 CB GLU 204 34.126 56.099 12.307 1.00 0.00 ATOM 1569 CG GLU 204 33.529 55.039 11.347 1.00 0.00 ATOM 1570 CD GLU 204 34.330 53.713 11.379 1.00 0.00 ATOM 1571 OE1 GLU 204 35.383 53.611 12.100 1.00 0.00 ATOM 1572 OE2 GLU 204 33.924 52.773 10.662 1.00 0.00 ATOM 1573 O GLU 204 34.462 59.619 13.058 1.00 0.00 ATOM 1574 C GLU 204 34.694 58.432 12.893 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 T0347.undertaker-align.pdb looking for model 1 WARNING: atoms too close: (T0347)V24.C and (T0347)G25.C only 0 apart, marking (T0347)G25.C as missing WARNING: atoms too close: (T0347)G25.N and (T0347)F26.N only 0 apart, marking (T0347)G25.N as missing WARNING: atoms too close: (T0347)G25.CA and (T0347)F26.CA only 0 apart, marking (T0347)G25.CA as missing WARNING: atoms too close: (T0347)Q115.C and (T0347)L139.C only 0 apart, marking (T0347)L139.C as missing WARNING: atoms too close: (T0347)G116.N and (T0347)A140.N only 0 apart, marking (T0347)G116.N as missing WARNING: atoms too close: (T0347)G116.CA and (T0347)A140.CA only 0 apart, marking (T0347)G116.CA as missing # WARNING: incomplete conformation T0347 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 = 0.515 # GDT_score = -29.209 # GDT_score(maxd=8.000,maxw=2.900)= -30.603 # GDT_score(maxd=8.000,maxw=3.200)= -29.089 # GDT_score(maxd=8.000,maxw=3.500)= -27.685 # GDT_score(maxd=10.000,maxw=3.800)= -28.589 # GDT_score(maxd=10.000,maxw=4.000)= -27.692 # GDT_score(maxd=10.000,maxw=4.200)= -26.807 # GDT_score(maxd=12.000,maxw=4.300)= -28.153 # GDT_score(maxd=12.000,maxw=4.500)= -27.293 # GDT_score(maxd=12.000,maxw=4.700)= -26.453 # GDT_score(maxd=14.000,maxw=5.200)= -25.892 # GDT_score(maxd=14.000,maxw=5.500)= -24.757 # command:# ReadConformPDB reading from PDB file T0347.undertaker-align.pdb looking for model 2 WARNING: atoms too close: (T0347)V56.C and (T0347)A57.C only 0 apart, marking (T0347)A57.C as missing WARNING: atoms too close: (T0347)A57.N and (T0347)G58.N only 0 apart, marking (T0347)A57.N as missing WARNING: atoms too close: (T0347)A57.CA and (T0347)G58.CA only 0 apart, marking (T0347)A57.CA as missing # WARNING: incomplete conformation T0347 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 = 0.423 # GDT_score = -12.372 # GDT_score(maxd=8.000,maxw=2.900)= -11.234 # GDT_score(maxd=8.000,maxw=3.200)= -10.851 # GDT_score(maxd=8.000,maxw=3.500)= -10.491 # GDT_score(maxd=10.000,maxw=3.800)= -11.591 # GDT_score(maxd=10.000,maxw=4.000)= -11.343 # GDT_score(maxd=10.000,maxw=4.200)= -11.112 # GDT_score(maxd=12.000,maxw=4.300)= -12.215 # GDT_score(maxd=12.000,maxw=4.500)= -11.956 # GDT_score(maxd=12.000,maxw=4.700)= -11.708 # GDT_score(maxd=14.000,maxw=5.200)= -12.100 # GDT_score(maxd=14.000,maxw=5.500)= -11.746 # command:# ReadConformPDB reading from PDB file T0347.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0347)T39.C and (T0347)G44.C only 0 apart, marking (T0347)G44.C as missing WARNING: atoms too close: (T0347)R40.N and (T0347)D45.N only 0 apart, marking (T0347)R40.N as missing WARNING: atoms too close: (T0347)R40.CA and (T0347)D45.CA only 0 apart, marking (T0347)R40.CA as missing WARNING: atoms too close: (T0347)K90.C and (T0347)L94.C only 0 apart, marking (T0347)L94.C as missing WARNING: atoms too close: (T0347)F91.N and (T0347)G95.N only 0 apart, marking (T0347)F91.N as missing WARNING: atoms too close: (T0347)F91.CA and (T0347)G95.CA only 0 apart, marking (T0347)F91.CA as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0347.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0347)R40.C and (T0347)D45.C only 0 apart, marking (T0347)D45.C as missing WARNING: atoms too close: (T0347)K41.N and (T0347)D46.N only 0 apart, marking (T0347)K41.N as missing WARNING: atoms too close: (T0347)K41.CA and (T0347)D46.CA only 0 apart, marking (T0347)K41.CA as missing WARNING: atoms too close: (T0347)A89.C and (T0347)H93.C only 0 apart, marking (T0347)H93.C as missing WARNING: atoms too close: (T0347)K90.N and (T0347)L94.N only 0 apart, marking (T0347)K90.N as missing WARNING: atoms too close: (T0347)K90.CA and (T0347)L94.CA only 0 apart, marking (T0347)K90.CA as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0347.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0347)G58.C and (T0347)P59.C only 0 apart, marking (T0347)P59.C as missing WARNING: atoms too close: (T0347)P59.N and (T0347)K60.N only 0 apart, marking (T0347)P59.N as missing WARNING: atoms too close: (T0347)P59.CA and (T0347)K60.CA only 0 apart, marking (T0347)P59.CA as missing WARNING: atoms too close: (T0347)I124.C and (T0347)L174.C only 0 apart, marking (T0347)L174.C as missing WARNING: atoms too close: (T0347)P125.N and (T0347)S175.N only 0 apart, marking (T0347)P125.N as missing WARNING: atoms too close: (T0347)P125.CA and (T0347)S175.CA only 0 apart, marking (T0347)P125.CA as missing # WARNING: incomplete conformation T0347 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 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera-renum.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera2-renum.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera3.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 94 in T0347.chimera3.pdb.gz # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera3_renum.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera4.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 94 in T0347.chimera4.pdb.gz # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera4_renum.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try6-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try7-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-1-2.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1522817781.pdb -s /var/tmp/to_scwrl_1522817781.seq -o /var/tmp/from_scwrl_1522817781.pdb > /var/tmp/scwrl_1522817781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1522817781.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 T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_241396966.pdb -s /var/tmp/to_scwrl_241396966.seq -o /var/tmp/from_scwrl_241396966.pdb > /var/tmp/scwrl_241396966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_241396966.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 T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_218964656.pdb -s /var/tmp/to_scwrl_218964656.seq -o /var/tmp/from_scwrl_218964656.pdb > /var/tmp/scwrl_218964656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_218964656.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 T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_954054638.pdb -s /var/tmp/to_scwrl_954054638.seq -o /var/tmp/from_scwrl_954054638.pdb > /var/tmp/scwrl_954054638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_954054638.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 T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_369396585.pdb -s /var/tmp/to_scwrl_369396585.seq -o /var/tmp/from_scwrl_369396585.pdb > /var/tmp/scwrl_369396585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_369396585.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 T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2028272297.pdb -s /var/tmp/to_scwrl_2028272297.seq -o /var/tmp/from_scwrl_2028272297.pdb > /var/tmp/scwrl_2028272297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2028272297.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1273394674.pdb -s /var/tmp/to_scwrl_1273394674.seq -o /var/tmp/from_scwrl_1273394674.pdb > /var/tmp/scwrl_1273394674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1273394674.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_368420380.pdb -s /var/tmp/to_scwrl_368420380.seq -o /var/tmp/from_scwrl_368420380.pdb > /var/tmp/scwrl_368420380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_368420380.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1037406054.pdb -s /var/tmp/to_scwrl_1037406054.seq -o /var/tmp/from_scwrl_1037406054.pdb > /var/tmp/scwrl_1037406054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1037406054.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_476282972.pdb -s /var/tmp/to_scwrl_476282972.seq -o /var/tmp/from_scwrl_476282972.pdb > /var/tmp/scwrl_476282972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_476282972.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1799735197.pdb -s /var/tmp/to_scwrl_1799735197.seq -o /var/tmp/from_scwrl_1799735197.pdb > /var/tmp/scwrl_1799735197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1799735197.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_971493793.pdb -s /var/tmp/to_scwrl_971493793.seq -o /var/tmp/from_scwrl_971493793.pdb > /var/tmp/scwrl_971493793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_971493793.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_681609909.pdb -s /var/tmp/to_scwrl_681609909.seq -o /var/tmp/from_scwrl_681609909.pdb > /var/tmp/scwrl_681609909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_681609909.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1334976917.pdb -s /var/tmp/to_scwrl_1334976917.seq -o /var/tmp/from_scwrl_1334976917.pdb > /var/tmp/scwrl_1334976917.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1334976917.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_466969099.pdb -s /var/tmp/to_scwrl_466969099.seq -o /var/tmp/from_scwrl_466969099.pdb > /var/tmp/scwrl_466969099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466969099.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1029434870.pdb -s /var/tmp/to_scwrl_1029434870.seq -o /var/tmp/from_scwrl_1029434870.pdb > /var/tmp/scwrl_1029434870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1029434870.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 189 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_140117441.pdb -s /var/tmp/to_scwrl_140117441.seq -o /var/tmp/from_scwrl_140117441.pdb > /var/tmp/scwrl_140117441.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140117441.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS3-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_545344339.pdb -s /var/tmp/to_scwrl_545344339.seq -o /var/tmp/from_scwrl_545344339.pdb > /var/tmp/scwrl_545344339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_545344339.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 199 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_817515622.pdb -s /var/tmp/to_scwrl_817515622.seq -o /var/tmp/from_scwrl_817515622.pdb > /var/tmp/scwrl_817515622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_817515622.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 166 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1390293757.pdb -s /var/tmp/to_scwrl_1390293757.seq -o /var/tmp/from_scwrl_1390293757.pdb > /var/tmp/scwrl_1390293757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1390293757.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 189 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_711005291.pdb -s /var/tmp/to_scwrl_711005291.seq -o /var/tmp/from_scwrl_711005291.pdb > /var/tmp/scwrl_711005291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711005291.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 165 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_970827291.pdb -s /var/tmp/to_scwrl_970827291.seq -o /var/tmp/from_scwrl_970827291.pdb > /var/tmp/scwrl_970827291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_970827291.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 178 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_793487352.pdb -s /var/tmp/to_scwrl_793487352.seq -o /var/tmp/from_scwrl_793487352.pdb > /var/tmp/scwrl_793487352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793487352.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 168 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1141674931.pdb -s /var/tmp/to_scwrl_1141674931.seq -o /var/tmp/from_scwrl_1141674931.pdb > /var/tmp/scwrl_1141674931.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1141674931.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 193 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_516472377.pdb -s /var/tmp/to_scwrl_516472377.seq -o /var/tmp/from_scwrl_516472377.pdb > /var/tmp/scwrl_516472377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516472377.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 204 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1743494818.pdb -s /var/tmp/to_scwrl_1743494818.seq -o /var/tmp/from_scwrl_1743494818.pdb > /var/tmp/scwrl_1743494818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1743494818.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 204 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_292200708.pdb -s /var/tmp/to_scwrl_292200708.seq -o /var/tmp/from_scwrl_292200708.pdb > /var/tmp/scwrl_292200708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_292200708.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 204 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_896759288.pdb -s /var/tmp/to_scwrl_896759288.seq -o /var/tmp/from_scwrl_896759288.pdb > /var/tmp/scwrl_896759288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_896759288.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 185 ; scwrl3 -i /var/tmp/to_scwrl_181414208.pdb -s /var/tmp/to_scwrl_181414208.seq -o /var/tmp/from_scwrl_181414208.pdb > /var/tmp/scwrl_181414208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_181414208.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1480459597.pdb -s /var/tmp/to_scwrl_1480459597.seq -o /var/tmp/from_scwrl_1480459597.pdb > /var/tmp/scwrl_1480459597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1480459597.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1286376546.pdb -s /var/tmp/to_scwrl_1286376546.seq -o /var/tmp/from_scwrl_1286376546.pdb > /var/tmp/scwrl_1286376546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1286376546.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 203 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1704231989.pdb -s /var/tmp/to_scwrl_1704231989.seq -o /var/tmp/from_scwrl_1704231989.pdb > /var/tmp/scwrl_1704231989.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704231989.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1721856563.pdb -s /var/tmp/to_scwrl_1721856563.seq -o /var/tmp/from_scwrl_1721856563.pdb > /var/tmp/scwrl_1721856563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1721856563.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 T0347 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1505341203.pdb -s /var/tmp/to_scwrl_1505341203.seq -o /var/tmp/from_scwrl_1505341203.pdb > /var/tmp/scwrl_1505341203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1505341203.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_510802980.pdb -s /var/tmp/to_scwrl_510802980.seq -o /var/tmp/from_scwrl_510802980.pdb > /var/tmp/scwrl_510802980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_510802980.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2091253148.pdb -s /var/tmp/to_scwrl_2091253148.seq -o /var/tmp/from_scwrl_2091253148.pdb > /var/tmp/scwrl_2091253148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2091253148.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 T0347 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1386129853.pdb -s /var/tmp/to_scwrl_1386129853.seq -o /var/tmp/from_scwrl_1386129853.pdb > /var/tmp/scwrl_1386129853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386129853.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 T0347 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1784197654.pdb -s /var/tmp/to_scwrl_1784197654.seq -o /var/tmp/from_scwrl_1784197654.pdb > /var/tmp/scwrl_1784197654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1784197654.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 T0347 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_312189882.pdb -s /var/tmp/to_scwrl_312189882.seq -o /var/tmp/from_scwrl_312189882.pdb > /var/tmp/scwrl_312189882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_312189882.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 T0347 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_276052260.pdb -s /var/tmp/to_scwrl_276052260.seq -o /var/tmp/from_scwrl_276052260.pdb > /var/tmp/scwrl_276052260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_276052260.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 T0347 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_112996979.pdb -s /var/tmp/to_scwrl_112996979.seq -o /var/tmp/from_scwrl_112996979.pdb > /var/tmp/scwrl_112996979.log Error: Couldn't open file /var/tmp/from_scwrl_112996979.pdb or /var/tmp/from_scwrl_112996979.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_112996979_b.pdb or decoys//var/tmp/from_scwrl_112996979_b.pdb.gz for input Trying /var/tmp/from_scwrl_112996979_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_112996979_b.pdb or /var/tmp/from_scwrl_112996979_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_112996979_a.pdb or decoys//var/tmp/from_scwrl_112996979_a.pdb.gz for input Trying /var/tmp/from_scwrl_112996979_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_112996979_a.pdb or /var/tmp/from_scwrl_112996979_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_112996979.pdb or /var/tmp/from_scwrl_112996979_b.pdb or /var/tmp/from_scwrl_112996979_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 T0347 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2111925079.pdb -s /var/tmp/to_scwrl_2111925079.seq -o /var/tmp/from_scwrl_2111925079.pdb > /var/tmp/scwrl_2111925079.log Error: Couldn't open file /var/tmp/from_scwrl_2111925079.pdb or /var/tmp/from_scwrl_2111925079.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2111925079_b.pdb or decoys//var/tmp/from_scwrl_2111925079_b.pdb.gz for input Trying /var/tmp/from_scwrl_2111925079_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_2111925079_b.pdb or /var/tmp/from_scwrl_2111925079_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_2111925079_a.pdb or decoys//var/tmp/from_scwrl_2111925079_a.pdb.gz for input Trying /var/tmp/from_scwrl_2111925079_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_2111925079_a.pdb or /var/tmp/from_scwrl_2111925079_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_2111925079.pdb or /var/tmp/from_scwrl_2111925079_b.pdb or /var/tmp/from_scwrl_2111925079_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 T0347 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1247546052.pdb -s /var/tmp/to_scwrl_1247546052.seq -o /var/tmp/from_scwrl_1247546052.pdb > /var/tmp/scwrl_1247546052.log Error: Couldn't open file /var/tmp/from_scwrl_1247546052.pdb or /var/tmp/from_scwrl_1247546052.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1247546052_b.pdb or decoys//var/tmp/from_scwrl_1247546052_b.pdb.gz for input Trying /var/tmp/from_scwrl_1247546052_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1247546052_b.pdb or /var/tmp/from_scwrl_1247546052_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1247546052_a.pdb or decoys//var/tmp/from_scwrl_1247546052_a.pdb.gz for input Trying /var/tmp/from_scwrl_1247546052_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1247546052_a.pdb or /var/tmp/from_scwrl_1247546052_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1247546052.pdb or /var/tmp/from_scwrl_1247546052_b.pdb or /var/tmp/from_scwrl_1247546052_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 T0347 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_794606889.pdb -s /var/tmp/to_scwrl_794606889.seq -o /var/tmp/from_scwrl_794606889.pdb > /var/tmp/scwrl_794606889.log Error: Couldn't open file /var/tmp/from_scwrl_794606889.pdb or /var/tmp/from_scwrl_794606889.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_794606889_b.pdb or decoys//var/tmp/from_scwrl_794606889_b.pdb.gz for input Trying /var/tmp/from_scwrl_794606889_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_794606889_b.pdb or /var/tmp/from_scwrl_794606889_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_794606889_a.pdb or decoys//var/tmp/from_scwrl_794606889_a.pdb.gz for input Trying /var/tmp/from_scwrl_794606889_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_794606889_a.pdb or /var/tmp/from_scwrl_794606889_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_794606889.pdb or /var/tmp/from_scwrl_794606889_b.pdb or /var/tmp/from_scwrl_794606889_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 T0347 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1299418349.pdb -s /var/tmp/to_scwrl_1299418349.seq -o /var/tmp/from_scwrl_1299418349.pdb > /var/tmp/scwrl_1299418349.log Error: Couldn't open file /var/tmp/from_scwrl_1299418349.pdb or /var/tmp/from_scwrl_1299418349.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1299418349_b.pdb or decoys//var/tmp/from_scwrl_1299418349_b.pdb.gz for input Trying /var/tmp/from_scwrl_1299418349_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1299418349_b.pdb or /var/tmp/from_scwrl_1299418349_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1299418349_a.pdb or decoys//var/tmp/from_scwrl_1299418349_a.pdb.gz for input Trying /var/tmp/from_scwrl_1299418349_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1299418349_a.pdb or /var/tmp/from_scwrl_1299418349_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1299418349.pdb or /var/tmp/from_scwrl_1299418349_b.pdb or /var/tmp/from_scwrl_1299418349_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 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1714515152.pdb -s /var/tmp/to_scwrl_1714515152.seq -o /var/tmp/from_scwrl_1714515152.pdb > /var/tmp/scwrl_1714515152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1714515152.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 T0347 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1824041758.pdb -s /var/tmp/to_scwrl_1824041758.seq -o /var/tmp/from_scwrl_1824041758.pdb > /var/tmp/scwrl_1824041758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1824041758.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 T0347 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1439535790.pdb -s /var/tmp/to_scwrl_1439535790.seq -o /var/tmp/from_scwrl_1439535790.pdb > /var/tmp/scwrl_1439535790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1439535790.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 T0347 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_112375844.pdb -s /var/tmp/to_scwrl_112375844.seq -o /var/tmp/from_scwrl_112375844.pdb > /var/tmp/scwrl_112375844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_112375844.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 T0347 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_494073734.pdb -s /var/tmp/to_scwrl_494073734.seq -o /var/tmp/from_scwrl_494073734.pdb > /var/tmp/scwrl_494073734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_494073734.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 190 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_682345901.pdb -s /var/tmp/to_scwrl_682345901.seq -o /var/tmp/from_scwrl_682345901.pdb > /var/tmp/scwrl_682345901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_682345901.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 T0347 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_823381135.pdb -s /var/tmp/to_scwrl_823381135.seq -o /var/tmp/from_scwrl_823381135.pdb > /var/tmp/scwrl_823381135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_823381135.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1464901024.pdb -s /var/tmp/to_scwrl_1464901024.seq -o /var/tmp/from_scwrl_1464901024.pdb > /var/tmp/scwrl_1464901024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1464901024.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1475833253.pdb -s /var/tmp/to_scwrl_1475833253.seq -o /var/tmp/from_scwrl_1475833253.pdb > /var/tmp/scwrl_1475833253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475833253.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1965056066.pdb -s /var/tmp/to_scwrl_1965056066.seq -o /var/tmp/from_scwrl_1965056066.pdb > /var/tmp/scwrl_1965056066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965056066.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS5-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1981373401.pdb -s /var/tmp/to_scwrl_1981373401.seq -o /var/tmp/from_scwrl_1981373401.pdb > /var/tmp/scwrl_1981373401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1981373401.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 # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1071844425.pdb -s /var/tmp/to_scwrl_1071844425.seq -o /var/tmp/from_scwrl_1071844425.pdb > /var/tmp/scwrl_1071844425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1071844425.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS2-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_109773128.pdb -s /var/tmp/to_scwrl_109773128.seq -o /var/tmp/from_scwrl_109773128.pdb > /var/tmp/scwrl_109773128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_109773128.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 157 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_730649043.pdb -s /var/tmp/to_scwrl_730649043.seq -o /var/tmp/from_scwrl_730649043.pdb > /var/tmp/scwrl_730649043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_730649043.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 134 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1253258632.pdb -s /var/tmp/to_scwrl_1253258632.seq -o /var/tmp/from_scwrl_1253258632.pdb > /var/tmp/scwrl_1253258632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1253258632.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS5-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1590232725.pdb -s /var/tmp/to_scwrl_1590232725.seq -o /var/tmp/from_scwrl_1590232725.pdb > /var/tmp/scwrl_1590232725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590232725.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 T0347 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2017025589.pdb -s /var/tmp/to_scwrl_2017025589.seq -o /var/tmp/from_scwrl_2017025589.pdb > /var/tmp/scwrl_2017025589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017025589.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_810006975.pdb -s /var/tmp/to_scwrl_810006975.seq -o /var/tmp/from_scwrl_810006975.pdb > /var/tmp/scwrl_810006975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_810006975.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1164605641.pdb -s /var/tmp/to_scwrl_1164605641.seq -o /var/tmp/from_scwrl_1164605641.pdb > /var/tmp/scwrl_1164605641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1164605641.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 T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1374883145.pdb -s /var/tmp/to_scwrl_1374883145.seq -o /var/tmp/from_scwrl_1374883145.pdb > /var/tmp/scwrl_1374883145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1374883145.pdb # conformation set from SCWRL output # naming current conformation FORTE1_AL5-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1320809954.pdb -s /var/tmp/to_scwrl_1320809954.seq -o /var/tmp/from_scwrl_1320809954.pdb > /var/tmp/scwrl_1320809954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1320809954.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 T0347 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1108375142.pdb -s /var/tmp/to_scwrl_1108375142.seq -o /var/tmp/from_scwrl_1108375142.pdb > /var/tmp/scwrl_1108375142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1108375142.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL2-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_613529352.pdb -s /var/tmp/to_scwrl_613529352.seq -o /var/tmp/from_scwrl_613529352.pdb > /var/tmp/scwrl_613529352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613529352.pdb # conformation set from SCWRL output # naming current conformation FORTE2_AL3-scwrl # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_957523963.pdb -s /var/tmp/to_scwrl_957523963.seq -o /var/tmp/from_scwrl_957523963.pdb > /var/tmp/scwrl_957523963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957523963.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 T0347 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1420565024.pdb -s /var/tmp/to_scwrl_1420565024.seq -o /var/tmp/from_scwrl_1420565024.pdb > /var/tmp/scwrl_1420565024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1420565024.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 204 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_889581613.pdb -s /var/tmp/to_scwrl_889581613.seq -o /var/tmp/from_scwrl_889581613.pdb > /var/tmp/scwrl_889581613.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_889581613.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 204 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1070520942.pdb -s /var/tmp/to_scwrl_1070520942.seq -o /var/tmp/from_scwrl_1070520942.pdb > /var/tmp/scwrl_1070520942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070520942.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 204 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1385006456.pdb -s /var/tmp/to_scwrl_1385006456.seq -o /var/tmp/from_scwrl_1385006456.pdb > /var/tmp/scwrl_1385006456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1385006456.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 204 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2137127665.pdb -s /var/tmp/to_scwrl_2137127665.seq -o /var/tmp/from_scwrl_2137127665.pdb > /var/tmp/scwrl_2137127665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2137127665.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 156 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1865127830.pdb -s /var/tmp/to_scwrl_1865127830.seq -o /var/tmp/from_scwrl_1865127830.pdb > /var/tmp/scwrl_1865127830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1865127830.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 T0347 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_536941159.pdb -s /var/tmp/to_scwrl_536941159.seq -o /var/tmp/from_scwrl_536941159.pdb > /var/tmp/scwrl_536941159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_536941159.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1704159170.pdb -s /var/tmp/to_scwrl_1704159170.seq -o /var/tmp/from_scwrl_1704159170.pdb > /var/tmp/scwrl_1704159170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704159170.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1541685942.pdb -s /var/tmp/to_scwrl_1541685942.seq -o /var/tmp/from_scwrl_1541685942.pdb > /var/tmp/scwrl_1541685942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1541685942.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 T0347 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1976476949.pdb -s /var/tmp/to_scwrl_1976476949.seq -o /var/tmp/from_scwrl_1976476949.pdb > /var/tmp/scwrl_1976476949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1976476949.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 T0347 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1816535014.pdb -s /var/tmp/to_scwrl_1816535014.seq -o /var/tmp/from_scwrl_1816535014.pdb > /var/tmp/scwrl_1816535014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1816535014.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 174, because occupancy 1 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 176, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 286, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 288, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2035759676.pdb -s /var/tmp/to_scwrl_2035759676.seq -o /var/tmp/from_scwrl_2035759676.pdb > /var/tmp/scwrl_2035759676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2035759676.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_511339204.pdb -s /var/tmp/to_scwrl_511339204.seq -o /var/tmp/from_scwrl_511339204.pdb > /var/tmp/scwrl_511339204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_511339204.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 T0347 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_492432503.pdb -s /var/tmp/to_scwrl_492432503.seq -o /var/tmp/from_scwrl_492432503.pdb > /var/tmp/scwrl_492432503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_492432503.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 T0347 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1353177053.pdb -s /var/tmp/to_scwrl_1353177053.seq -o /var/tmp/from_scwrl_1353177053.pdb > /var/tmp/scwrl_1353177053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1353177053.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1987172457.pdb -s /var/tmp/to_scwrl_1987172457.seq -o /var/tmp/from_scwrl_1987172457.pdb > /var/tmp/scwrl_1987172457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1987172457.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_310004922.pdb -s /var/tmp/to_scwrl_310004922.seq -o /var/tmp/from_scwrl_310004922.pdb > /var/tmp/scwrl_310004922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310004922.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1187066807.pdb -s /var/tmp/to_scwrl_1187066807.seq -o /var/tmp/from_scwrl_1187066807.pdb > /var/tmp/scwrl_1187066807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187066807.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 202 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_911533235.pdb -s /var/tmp/to_scwrl_911533235.seq -o /var/tmp/from_scwrl_911533235.pdb > /var/tmp/scwrl_911533235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_911533235.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 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_419778050.pdb -s /var/tmp/to_scwrl_419778050.seq -o /var/tmp/from_scwrl_419778050.pdb > /var/tmp/scwrl_419778050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_419778050.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1917715850.pdb -s /var/tmp/to_scwrl_1917715850.seq -o /var/tmp/from_scwrl_1917715850.pdb > /var/tmp/scwrl_1917715850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1917715850.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS1-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_17308220.pdb -s /var/tmp/to_scwrl_17308220.seq -o /var/tmp/from_scwrl_17308220.pdb > /var/tmp/scwrl_17308220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_17308220.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 # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2010010775.pdb -s /var/tmp/to_scwrl_2010010775.seq -o /var/tmp/from_scwrl_2010010775.pdb > /var/tmp/scwrl_2010010775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2010010775.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 5 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1787257793.pdb -s /var/tmp/to_scwrl_1787257793.seq -o /var/tmp/from_scwrl_1787257793.pdb > /var/tmp/scwrl_1787257793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1787257793.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 T0347 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_827315195.pdb -s /var/tmp/to_scwrl_827315195.seq -o /var/tmp/from_scwrl_827315195.pdb > /var/tmp/scwrl_827315195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_827315195.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 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1027132770.pdb -s /var/tmp/to_scwrl_1027132770.seq -o /var/tmp/from_scwrl_1027132770.pdb > /var/tmp/scwrl_1027132770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1027132770.pdb # conformation set from SCWRL output # naming current conformation HHpred1_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1014657292.pdb -s /var/tmp/to_scwrl_1014657292.seq -o /var/tmp/from_scwrl_1014657292.pdb > /var/tmp/scwrl_1014657292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1014657292.pdb # conformation set from SCWRL output # naming current conformation HHpred2_TS1-scwrl # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_641502.pdb -s /var/tmp/to_scwrl_641502.seq -o /var/tmp/from_scwrl_641502.pdb > /var/tmp/scwrl_641502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_641502.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 T0347 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2135507913.pdb -s /var/tmp/to_scwrl_2135507913.seq -o /var/tmp/from_scwrl_2135507913.pdb > /var/tmp/scwrl_2135507913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2135507913.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 T0347 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1628186644.pdb -s /var/tmp/to_scwrl_1628186644.seq -o /var/tmp/from_scwrl_1628186644.pdb > /var/tmp/scwrl_1628186644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1628186644.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 T0347 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_958165465.pdb -s /var/tmp/to_scwrl_958165465.seq -o /var/tmp/from_scwrl_958165465.pdb > /var/tmp/scwrl_958165465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_958165465.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 T0347 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1408589290.pdb -s /var/tmp/to_scwrl_1408589290.seq -o /var/tmp/from_scwrl_1408589290.pdb > /var/tmp/scwrl_1408589290.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1408589290.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 T0347 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_370284610.pdb -s /var/tmp/to_scwrl_370284610.seq -o /var/tmp/from_scwrl_370284610.pdb > /var/tmp/scwrl_370284610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_370284610.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 T0347 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2028686407.pdb -s /var/tmp/to_scwrl_2028686407.seq -o /var/tmp/from_scwrl_2028686407.pdb > /var/tmp/scwrl_2028686407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2028686407.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 T0347 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_646112101.pdb -s /var/tmp/to_scwrl_646112101.seq -o /var/tmp/from_scwrl_646112101.pdb > /var/tmp/scwrl_646112101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_646112101.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 T0347 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_359928628.pdb -s /var/tmp/to_scwrl_359928628.seq -o /var/tmp/from_scwrl_359928628.pdb > /var/tmp/scwrl_359928628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_359928628.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 T0347 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1746330590.pdb -s /var/tmp/to_scwrl_1746330590.seq -o /var/tmp/from_scwrl_1746330590.pdb > /var/tmp/scwrl_1746330590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1746330590.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 T0347 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1183053259.pdb -s /var/tmp/to_scwrl_1183053259.seq -o /var/tmp/from_scwrl_1183053259.pdb > /var/tmp/scwrl_1183053259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1183053259.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2064087799.pdb -s /var/tmp/to_scwrl_2064087799.seq -o /var/tmp/from_scwrl_2064087799.pdb > /var/tmp/scwrl_2064087799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2064087799.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 16 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1140532885.pdb -s /var/tmp/to_scwrl_1140532885.seq -o /var/tmp/from_scwrl_1140532885.pdb > /var/tmp/scwrl_1140532885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140532885.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 147 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1012046563.pdb -s /var/tmp/to_scwrl_1012046563.seq -o /var/tmp/from_scwrl_1012046563.pdb > /var/tmp/scwrl_1012046563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012046563.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1733139166.pdb -s /var/tmp/to_scwrl_1733139166.seq -o /var/tmp/from_scwrl_1733139166.pdb > /var/tmp/scwrl_1733139166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1733139166.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 152 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1028808915.pdb -s /var/tmp/to_scwrl_1028808915.seq -o /var/tmp/from_scwrl_1028808915.pdb > /var/tmp/scwrl_1028808915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1028808915.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1523385766.pdb -s /var/tmp/to_scwrl_1523385766.seq -o /var/tmp/from_scwrl_1523385766.pdb > /var/tmp/scwrl_1523385766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1523385766.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 181 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_78088022.pdb -s /var/tmp/to_scwrl_78088022.seq -o /var/tmp/from_scwrl_78088022.pdb > /var/tmp/scwrl_78088022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_78088022.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 65 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_234502321.pdb -s /var/tmp/to_scwrl_234502321.seq -o /var/tmp/from_scwrl_234502321.pdb > /var/tmp/scwrl_234502321.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_234502321.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 185 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1363074576.pdb -s /var/tmp/to_scwrl_1363074576.seq -o /var/tmp/from_scwrl_1363074576.pdb > /var/tmp/scwrl_1363074576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363074576.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 169 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_388092945.pdb -s /var/tmp/to_scwrl_388092945.seq -o /var/tmp/from_scwrl_388092945.pdb > /var/tmp/scwrl_388092945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_388092945.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 198 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1421569129.pdb -s /var/tmp/to_scwrl_1421569129.seq -o /var/tmp/from_scwrl_1421569129.pdb > /var/tmp/scwrl_1421569129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421569129.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 202 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_127124164.pdb -s /var/tmp/to_scwrl_127124164.seq -o /var/tmp/from_scwrl_127124164.pdb > /var/tmp/scwrl_127124164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127124164.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 204 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_807870995.pdb -s /var/tmp/to_scwrl_807870995.seq -o /var/tmp/from_scwrl_807870995.pdb > /var/tmp/scwrl_807870995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807870995.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 198 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1191801332.pdb -s /var/tmp/to_scwrl_1191801332.seq -o /var/tmp/from_scwrl_1191801332.pdb > /var/tmp/scwrl_1191801332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1191801332.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 201 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_144432384.pdb -s /var/tmp/to_scwrl_144432384.seq -o /var/tmp/from_scwrl_144432384.pdb > /var/tmp/scwrl_144432384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_144432384.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_670398124.pdb -s /var/tmp/to_scwrl_670398124.seq -o /var/tmp/from_scwrl_670398124.pdb > /var/tmp/scwrl_670398124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_670398124.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_831575479.pdb -s /var/tmp/to_scwrl_831575479.seq -o /var/tmp/from_scwrl_831575479.pdb > /var/tmp/scwrl_831575479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_831575479.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 192 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_971747579.pdb -s /var/tmp/to_scwrl_971747579.seq -o /var/tmp/from_scwrl_971747579.pdb > /var/tmp/scwrl_971747579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_971747579.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1697530893.pdb -s /var/tmp/to_scwrl_1697530893.seq -o /var/tmp/from_scwrl_1697530893.pdb > /var/tmp/scwrl_1697530893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697530893.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1846232771.pdb -s /var/tmp/to_scwrl_1846232771.seq -o /var/tmp/from_scwrl_1846232771.pdb > /var/tmp/scwrl_1846232771.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1846232771.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 190 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_972389081.pdb -s /var/tmp/to_scwrl_972389081.seq -o /var/tmp/from_scwrl_972389081.pdb > /var/tmp/scwrl_972389081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_972389081.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1685555159.pdb -s /var/tmp/to_scwrl_1685555159.seq -o /var/tmp/from_scwrl_1685555159.pdb > /var/tmp/scwrl_1685555159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1685555159.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1326935768.pdb -s /var/tmp/to_scwrl_1326935768.seq -o /var/tmp/from_scwrl_1326935768.pdb > /var/tmp/scwrl_1326935768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1326935768.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1930554546.pdb -s /var/tmp/to_scwrl_1930554546.seq -o /var/tmp/from_scwrl_1930554546.pdb > /var/tmp/scwrl_1930554546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1930554546.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_946660804.pdb -s /var/tmp/to_scwrl_946660804.seq -o /var/tmp/from_scwrl_946660804.pdb > /var/tmp/scwrl_946660804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_946660804.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1697220378.pdb -s /var/tmp/to_scwrl_1697220378.seq -o /var/tmp/from_scwrl_1697220378.pdb > /var/tmp/scwrl_1697220378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697220378.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1811757306.pdb -s /var/tmp/to_scwrl_1811757306.seq -o /var/tmp/from_scwrl_1811757306.pdb > /var/tmp/scwrl_1811757306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1811757306.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1592772904.pdb -s /var/tmp/to_scwrl_1592772904.seq -o /var/tmp/from_scwrl_1592772904.pdb > /var/tmp/scwrl_1592772904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592772904.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2057149006.pdb -s /var/tmp/to_scwrl_2057149006.seq -o /var/tmp/from_scwrl_2057149006.pdb > /var/tmp/scwrl_2057149006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057149006.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1410604249.pdb -s /var/tmp/to_scwrl_1410604249.seq -o /var/tmp/from_scwrl_1410604249.pdb > /var/tmp/scwrl_1410604249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1410604249.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_628342517.pdb -s /var/tmp/to_scwrl_628342517.seq -o /var/tmp/from_scwrl_628342517.pdb > /var/tmp/scwrl_628342517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_628342517.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 T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1973753158.pdb -s /var/tmp/to_scwrl_1973753158.seq -o /var/tmp/from_scwrl_1973753158.pdb > /var/tmp/scwrl_1973753158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1973753158.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 T0347 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_403653489.pdb -s /var/tmp/to_scwrl_403653489.seq -o /var/tmp/from_scwrl_403653489.pdb > /var/tmp/scwrl_403653489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_403653489.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 T0347 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1640389079.pdb -s /var/tmp/to_scwrl_1640389079.seq -o /var/tmp/from_scwrl_1640389079.pdb > /var/tmp/scwrl_1640389079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640389079.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 T0347 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1559408678.pdb -s /var/tmp/to_scwrl_1559408678.seq -o /var/tmp/from_scwrl_1559408678.pdb > /var/tmp/scwrl_1559408678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1559408678.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 T0347 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1432462403.pdb -s /var/tmp/to_scwrl_1432462403.seq -o /var/tmp/from_scwrl_1432462403.pdb > /var/tmp/scwrl_1432462403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432462403.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 T0347 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1016291199.pdb -s /var/tmp/to_scwrl_1016291199.seq -o /var/tmp/from_scwrl_1016291199.pdb > /var/tmp/scwrl_1016291199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016291199.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1637496700.pdb -s /var/tmp/to_scwrl_1637496700.seq -o /var/tmp/from_scwrl_1637496700.pdb > /var/tmp/scwrl_1637496700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1637496700.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1666964725.pdb -s /var/tmp/to_scwrl_1666964725.seq -o /var/tmp/from_scwrl_1666964725.pdb > /var/tmp/scwrl_1666964725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666964725.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_231882128.pdb -s /var/tmp/to_scwrl_231882128.seq -o /var/tmp/from_scwrl_231882128.pdb > /var/tmp/scwrl_231882128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_231882128.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2025589645.pdb -s /var/tmp/to_scwrl_2025589645.seq -o /var/tmp/from_scwrl_2025589645.pdb > /var/tmp/scwrl_2025589645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2025589645.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 T0347 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 185 ; scwrl3 -i /var/tmp/to_scwrl_941050208.pdb -s /var/tmp/to_scwrl_941050208.seq -o /var/tmp/from_scwrl_941050208.pdb > /var/tmp/scwrl_941050208.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_941050208.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_359006292.pdb -s /var/tmp/to_scwrl_359006292.seq -o /var/tmp/from_scwrl_359006292.pdb > /var/tmp/scwrl_359006292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_359006292.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 177 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_685976994.pdb -s /var/tmp/to_scwrl_685976994.seq -o /var/tmp/from_scwrl_685976994.pdb > /var/tmp/scwrl_685976994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_685976994.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 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2132851540.pdb -s /var/tmp/to_scwrl_2132851540.seq -o /var/tmp/from_scwrl_2132851540.pdb > /var/tmp/scwrl_2132851540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2132851540.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 153 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_503438676.pdb -s /var/tmp/to_scwrl_503438676.seq -o /var/tmp/from_scwrl_503438676.pdb > /var/tmp/scwrl_503438676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503438676.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 T0347 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1356375117.pdb -s /var/tmp/to_scwrl_1356375117.seq -o /var/tmp/from_scwrl_1356375117.pdb > /var/tmp/scwrl_1356375117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1356375117.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 134 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_816943373.pdb -s /var/tmp/to_scwrl_816943373.seq -o /var/tmp/from_scwrl_816943373.pdb > /var/tmp/scwrl_816943373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_816943373.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1475186254.pdb -s /var/tmp/to_scwrl_1475186254.seq -o /var/tmp/from_scwrl_1475186254.pdb > /var/tmp/scwrl_1475186254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475186254.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_906422364.pdb -s /var/tmp/to_scwrl_906422364.seq -o /var/tmp/from_scwrl_906422364.pdb > /var/tmp/scwrl_906422364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906422364.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS3-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_515692497.pdb -s /var/tmp/to_scwrl_515692497.seq -o /var/tmp/from_scwrl_515692497.pdb > /var/tmp/scwrl_515692497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_515692497.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 84 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_300091689.pdb -s /var/tmp/to_scwrl_300091689.seq -o /var/tmp/from_scwrl_300091689.pdb > /var/tmp/scwrl_300091689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300091689.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 134 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_444493877.pdb -s /var/tmp/to_scwrl_444493877.seq -o /var/tmp/from_scwrl_444493877.pdb > /var/tmp/scwrl_444493877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_444493877.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS1-scwrl # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1842628265.pdb -s /var/tmp/to_scwrl_1842628265.seq -o /var/tmp/from_scwrl_1842628265.pdb > /var/tmp/scwrl_1842628265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1842628265.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 154 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_83162588.pdb -s /var/tmp/to_scwrl_83162588.seq -o /var/tmp/from_scwrl_83162588.pdb > /var/tmp/scwrl_83162588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_83162588.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 203 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1391154680.pdb -s /var/tmp/to_scwrl_1391154680.seq -o /var/tmp/from_scwrl_1391154680.pdb > /var/tmp/scwrl_1391154680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1391154680.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 202 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1392364996.pdb -s /var/tmp/to_scwrl_1392364996.seq -o /var/tmp/from_scwrl_1392364996.pdb > /var/tmp/scwrl_1392364996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392364996.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 185 ; scwrl3 -i /var/tmp/to_scwrl_1894919894.pdb -s /var/tmp/to_scwrl_1894919894.seq -o /var/tmp/from_scwrl_1894919894.pdb > /var/tmp/scwrl_1894919894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1894919894.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 135 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_836443938.pdb -s /var/tmp/to_scwrl_836443938.seq -o /var/tmp/from_scwrl_836443938.pdb > /var/tmp/scwrl_836443938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_836443938.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 153 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1302030355.pdb -s /var/tmp/to_scwrl_1302030355.seq -o /var/tmp/from_scwrl_1302030355.pdb > /var/tmp/scwrl_1302030355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1302030355.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 118 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1158040496.pdb -s /var/tmp/to_scwrl_1158040496.seq -o /var/tmp/from_scwrl_1158040496.pdb > /var/tmp/scwrl_1158040496.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1158040496.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 137 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1464786454.pdb -s /var/tmp/to_scwrl_1464786454.seq -o /var/tmp/from_scwrl_1464786454.pdb > /var/tmp/scwrl_1464786454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1464786454.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 177 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1128299867.pdb -s /var/tmp/to_scwrl_1128299867.seq -o /var/tmp/from_scwrl_1128299867.pdb > /var/tmp/scwrl_1128299867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128299867.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 # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1561693985.pdb -s /var/tmp/to_scwrl_1561693985.seq -o /var/tmp/from_scwrl_1561693985.pdb > /var/tmp/scwrl_1561693985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1561693985.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 177 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_957691888.pdb -s /var/tmp/to_scwrl_957691888.seq -o /var/tmp/from_scwrl_957691888.pdb > /var/tmp/scwrl_957691888.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957691888.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 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_540224899.pdb -s /var/tmp/to_scwrl_540224899.seq -o /var/tmp/from_scwrl_540224899.pdb > /var/tmp/scwrl_540224899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_540224899.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 153 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_846672743.pdb -s /var/tmp/to_scwrl_846672743.seq -o /var/tmp/from_scwrl_846672743.pdb > /var/tmp/scwrl_846672743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_846672743.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 WARNING: atoms too close: (T0347)R8.CA and (T0347)R8.CB only 0.000 apart, marking (T0347)R8.CB as missing WARNING: atoms too close: (T0347)A13.CA and (T0347)A13.CB only 0.000 apart, marking (T0347)A13.CB as missing WARNING: atoms too close: (T0347)K16.CA and (T0347)K16.CB only 0.000 apart, marking (T0347)K16.CB as missing WARNING: atoms too close: (T0347)R18.CA and (T0347)R18.CB only 0.000 apart, marking (T0347)R18.CB as missing WARNING: atoms too close: (T0347)E28.CA and (T0347)E28.CB only 0.000 apart, marking (T0347)E28.CB as missing WARNING: atoms too close: (T0347)E30.CA and (T0347)E30.CB only 0.000 apart, marking (T0347)E30.CB as missing WARNING: atoms too close: (T0347)K32.CA and (T0347)K32.CB only 0.000 apart, marking (T0347)K32.CB as missing WARNING: atoms too close: (T0347)K34.CA and (T0347)K34.CB only 0.000 apart, marking (T0347)K34.CB as missing WARNING: atoms too close: (T0347)I52.CA and (T0347)I52.CB only 0.000 apart, marking (T0347)I52.CB as missing WARNING: atoms too close: (T0347)V55.CA and (T0347)V55.CB only 0.000 apart, marking (T0347)V55.CB as missing WARNING: atoms too close: (T0347)V56.CA and (T0347)V56.CB only 0.000 apart, marking (T0347)V56.CB as missing WARNING: atoms too close: (T0347)R62.CA and (T0347)R62.CB only 0.000 apart, marking (T0347)R62.CB as missing WARNING: atoms too close: (T0347)L73.CA and (T0347)L73.CB only 0.000 apart, marking (T0347)L73.CB as missing WARNING: atoms too close: (T0347)V80.CA and (T0347)V80.CB only 0.000 apart, marking (T0347)V80.CB as missing WARNING: atoms too close: (T0347)E87.CA and (T0347)E87.CB only 0.000 apart, marking (T0347)E87.CB as missing WARNING: atoms too close: (T0347)V88.CA and (T0347)V88.CB only 0.000 apart, marking (T0347)V88.CB as missing WARNING: atoms too close: (T0347)F99.CA and (T0347)F99.CB only 0.000 apart, marking (T0347)F99.CB as missing WARNING: atoms too close: (T0347)V102.CA and (T0347)V102.CB only 0.000 apart, marking (T0347)V102.CB as missing WARNING: atoms too close: (T0347)P111.CA and (T0347)P111.CB only 0.000 apart, marking (T0347)P111.CB as missing WARNING: atoms too close: (T0347)A114.CA and (T0347)A114.CB only 0.000 apart, marking (T0347)A114.CB as missing WARNING: atoms too close: (T0347)R118.CA and (T0347)R118.CB only 0.000 apart, marking (T0347)R118.CB as missing WARNING: atoms too close: (T0347)I124.CA and (T0347)I124.CB only 0.000 apart, marking (T0347)I124.CB as missing WARNING: atoms too close: (T0347)P125.CA and (T0347)P125.CB only 0.000 apart, marking (T0347)P125.CB as missing WARNING: atoms too close: (T0347)D130.CA and (T0347)D130.CB only 0.000 apart, marking (T0347)D130.CB as missing WARNING: atoms too close: (T0347)E132.CA and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D134.CA and (T0347)D134.CB only 0.000 apart, marking (T0347)D134.CB as missing WARNING: atoms too close: (T0347)R137.CA and (T0347)R137.CB only 0.000 apart, marking (T0347)R137.CB as missing WARNING: atoms too close: (T0347)L143.CA and (T0347)L143.CB only 0.000 apart, marking (T0347)L143.CB as missing WARNING: atoms too close: (T0347)R144.CA and (T0347)R144.CB only 0.000 apart, marking (T0347)R144.CB as missing WARNING: atoms too close: (T0347)A146.CA and (T0347)A146.CB only 0.000 apart, marking (T0347)A146.CB as missing WARNING: atoms too close: (T0347)P155.CA and (T0347)P155.CB only 0.000 apart, marking (T0347)P155.CB as missing WARNING: atoms too close: (T0347)F156.CA and (T0347)F156.CB only 0.000 apart, marking (T0347)F156.CB as missing WARNING: atoms too close: (T0347)S157.CA and (T0347)S157.CB only 0.000 apart, marking (T0347)S157.CB as missing WARNING: atoms too close: (T0347)D163.CA and (T0347)D163.CB only 0.000 apart, marking (T0347)D163.CB as missing WARNING: atoms too close: (T0347)F164.CA and (T0347)F164.CB only 0.000 apart, marking (T0347)F164.CB as missing WARNING: atoms too close: (T0347)R166.CA and (T0347)R166.CB only 0.000 apart, marking (T0347)R166.CB as missing WARNING: atoms too close: (T0347)F178.CA and (T0347)F178.CB only 0.000 apart, marking (T0347)F178.CB as missing WARNING: atoms too close: (T0347)R192.CA and (T0347)R192.CB only 0.000 apart, marking (T0347)R192.CB as missing WARNING: atoms too close: (T0347)E193.CA and (T0347)E193.CB only 0.000 apart, marking (T0347)E193.CB as missing WARNING: atoms too close: (T0347)A194.CA and (T0347)A194.CB only 0.000 apart, marking (T0347)A194.CB as missing WARNING: atoms too close: (T0347)W200.CA and (T0347)W200.CB only 0.000 apart, marking (T0347)W200.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1973983086.pdb -s /var/tmp/to_scwrl_1973983086.seq -o /var/tmp/from_scwrl_1973983086.pdb > /var/tmp/scwrl_1973983086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1973983086.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 WARNING: atoms too close: (T0347)E6.CA and (T0347)E6.CB only 0.000 apart, marking (T0347)E6.CB as missing WARNING: atoms too close: (T0347)A13.CA and (T0347)A13.CB only 0.000 apart, marking (T0347)A13.CB as missing WARNING: atoms too close: (T0347)L17.CA and (T0347)L17.CB only 0.000 apart, marking (T0347)L17.CB as missing WARNING: atoms too close: (T0347)T20.CA and (T0347)T20.CB only 0.000 apart, marking (T0347)T20.CB as missing WARNING: atoms too close: (T0347)E28.CA and (T0347)E28.CB only 0.000 apart, marking (T0347)E28.CB as missing WARNING: atoms too close: (T0347)W36.CA and (T0347)W36.CB only 0.000 apart, marking (T0347)W36.CB as missing WARNING: atoms too close: (T0347)V80.CA and (T0347)V80.CB only 0.000 apart, marking (T0347)V80.CB as missing WARNING: atoms too close: (T0347)L84.CA and (T0347)L84.CB only 0.000 apart, marking (T0347)L84.CB as missing WARNING: atoms too close: (T0347)E98.CA and (T0347)E98.CB only 0.000 apart, marking (T0347)E98.CB as missing WARNING: atoms too close: (T0347)F99.CA and (T0347)F99.CB only 0.000 apart, marking (T0347)F99.CB as missing WARNING: atoms too close: (T0347)P111.CA and (T0347)P111.CB only 0.000 apart, marking (T0347)P111.CB as missing WARNING: atoms too close: (T0347)R119.CA and (T0347)R119.CB only 0.000 apart, marking (T0347)R119.CB as missing WARNING: atoms too close: (T0347)P125.CA and (T0347)P125.CB only 0.000 apart, marking (T0347)P125.CB as missing WARNING: atoms too close: (T0347)D130.CA and (T0347)D130.CB only 0.000 apart, marking (T0347)D130.CB as missing WARNING: atoms too close: (T0347)D133.CA and (T0347)D133.CB only 0.000 apart, marking (T0347)D133.CB as missing WARNING: atoms too close: (T0347)D134.CA and (T0347)D134.CB only 0.000 apart, marking (T0347)D134.CB as missing WARNING: atoms too close: (T0347)R144.CA and (T0347)R144.CB only 0.000 apart, marking (T0347)R144.CB as missing WARNING: atoms too close: (T0347)K151.CA and (T0347)K151.CB only 0.000 apart, marking (T0347)K151.CB as missing WARNING: atoms too close: (T0347)V152.CA and (T0347)V152.CB only 0.000 apart, marking (T0347)V152.CB as missing WARNING: atoms too close: (T0347)R166.CA and (T0347)R166.CB only 0.000 apart, marking (T0347)R166.CB as missing WARNING: atoms too close: (T0347)D180.CA and (T0347)D180.CB only 0.000 apart, marking (T0347)D180.CB as missing WARNING: atoms too close: (T0347)S191.CA and (T0347)S191.CB only 0.000 apart, marking (T0347)S191.CB as missing WARNING: atoms too close: (T0347)E205.CA and (T0347)E205.CB only 0.000 apart, marking (T0347)E205.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_30237952.pdb -s /var/tmp/to_scwrl_30237952.seq -o /var/tmp/from_scwrl_30237952.pdb > /var/tmp/scwrl_30237952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_30237952.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 WARNING: atoms too close: (T0347)M1.CA and (T0347)M1.CB only 0.000 apart, marking (T0347)M1.CB as missing WARNING: atoms too close: (T0347)P7.CA and (T0347)P7.CB only 0.000 apart, marking (T0347)P7.CB as missing WARNING: atoms too close: (T0347)R11.CA and (T0347)R11.CB only 0.000 apart, marking (T0347)R11.CB as missing WARNING: atoms too close: (T0347)K16.CA and (T0347)K16.CB only 0.000 apart, marking (T0347)K16.CB as missing WARNING: atoms too close: (T0347)P19.CA and (T0347)P19.CB only 0.000 apart, marking (T0347)P19.CB as missing WARNING: atoms too close: (T0347)R27.CA and (T0347)R27.CB only 0.000 apart, marking (T0347)R27.CB as missing WARNING: atoms too close: (T0347)R33.CA and (T0347)R33.CB only 0.000 apart, marking (T0347)R33.CB as missing WARNING: atoms too close: (T0347)K34.CA and (T0347)K34.CB only 0.000 apart, marking (T0347)K34.CB as missing WARNING: atoms too close: (T0347)D45.CA and (T0347)D45.CB only 0.000 apart, marking (T0347)D45.CB as missing WARNING: atoms too close: (T0347)D46.CA and (T0347)D46.CB only 0.000 apart, marking (T0347)D46.CB as missing WARNING: atoms too close: (T0347)L48.CA and (T0347)L48.CB only 0.000 apart, marking (T0347)L48.CB as missing WARNING: atoms too close: (T0347)H51.CA and (T0347)H51.CB only 0.000 apart, marking (T0347)H51.CB as missing WARNING: atoms too close: (T0347)V55.CA and (T0347)V55.CB only 0.000 apart, marking (T0347)V55.CB as missing WARNING: atoms too close: (T0347)P59.CA and (T0347)P59.CB only 0.000 apart, marking (T0347)P59.CB as missing WARNING: atoms too close: (T0347)D61.CA and (T0347)D61.CB only 0.000 apart, marking (T0347)D61.CB as missing WARNING: atoms too close: (T0347)I66.CA and (T0347)I66.CB only 0.000 apart, marking (T0347)I66.CB as missing WARNING: atoms too close: (T0347)H70.CA and (T0347)H70.CB only 0.000 apart, marking (T0347)H70.CB as missing WARNING: atoms too close: (T0347)L73.CA and (T0347)L73.CB only 0.000 apart, marking (T0347)L73.CB as missing WARNING: atoms too close: (T0347)E81.CA and (T0347)E81.CB only 0.000 apart, marking (T0347)E81.CB as missing WARNING: atoms too close: (T0347)S86.CA and (T0347)S86.CB only 0.000 apart, marking (T0347)S86.CB as missing WARNING: atoms too close: (T0347)E87.CA and (T0347)E87.CB only 0.000 apart, marking (T0347)E87.CB as missing WARNING: atoms too close: (T0347)L94.CA and (T0347)L94.CB only 0.000 apart, marking (T0347)L94.CB as missing WARNING: atoms too close: (T0347)E98.CA and (T0347)E98.CB only 0.000 apart, marking (T0347)E98.CB as missing WARNING: atoms too close: (T0347)W100.CA and (T0347)W100.CB only 0.000 apart, marking (T0347)W100.CB as missing WARNING: atoms too close: (T0347)M103.CA and (T0347)M103.CB only 0.000 apart, marking (T0347)M103.CB as missing WARNING: atoms too close: (T0347)D104.CA and (T0347)D104.CB only 0.000 apart, marking (T0347)D104.CB as missing WARNING: atoms too close: (T0347)D113.CA and (T0347)D113.CB only 0.000 apart, marking (T0347)D113.CB as missing WARNING: atoms too close: (T0347)Q115.CA and (T0347)Q115.CB only 0.000 apart, marking (T0347)Q115.CB as missing WARNING: atoms too close: (T0347)Q120.CA and (T0347)Q120.CB only 0.000 apart, marking (T0347)Q120.CB as missing WARNING: atoms too close: (T0347)P125.CA and (T0347)P125.CB only 0.000 apart, marking (T0347)P125.CB as missing WARNING: atoms too close: (T0347)D130.CA and (T0347)D130.CB only 0.000 apart, marking (T0347)D130.CB as missing WARNING: atoms too close: (T0347)L131.CA and (T0347)L131.CB only 0.000 apart, marking (T0347)L131.CB as missing WARNING: atoms too close: (T0347)E132.CA and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D133.CA and (T0347)D133.CB only 0.000 apart, marking (T0347)D133.CB as missing WARNING: atoms too close: (T0347)F136.CA and (T0347)F136.CB only 0.000 apart, marking (T0347)F136.CB as missing WARNING: atoms too close: (T0347)R137.CA and (T0347)R137.CB only 0.000 apart, marking (T0347)R137.CB as missing WARNING: atoms too close: (T0347)S138.CA and (T0347)S138.CB only 0.000 apart, marking (T0347)S138.CB as missing WARNING: atoms too close: (T0347)A142.CA and (T0347)A142.CB only 0.000 apart, marking (T0347)A142.CB as missing WARNING: atoms too close: (T0347)Y149.CA and (T0347)Y149.CB only 0.000 apart, marking (T0347)Y149.CB as missing WARNING: atoms too close: (T0347)D163.CA and (T0347)D163.CB only 0.000 apart, marking (T0347)D163.CB as missing WARNING: atoms too close: (T0347)D172.CA and (T0347)D172.CB only 0.000 apart, marking (T0347)D172.CB as missing WARNING: atoms too close: (T0347)S175.CA and (T0347)S175.CB only 0.000 apart, marking (T0347)S175.CB as missing WARNING: atoms too close: (T0347)M186.CA and (T0347)M186.CB only 0.000 apart, marking (T0347)M186.CB as missing WARNING: atoms too close: (T0347)R192.CA and (T0347)R192.CB only 0.000 apart, marking (T0347)R192.CB as missing WARNING: atoms too close: (T0347)E193.CA and (T0347)E193.CB only 0.000 apart, marking (T0347)E193.CB as missing WARNING: atoms too close: (T0347)A194.CA and (T0347)A194.CB only 0.000 apart, marking (T0347)A194.CB as missing WARNING: atoms too close: (T0347)L197.CA and (T0347)L197.CB only 0.000 apart, marking (T0347)L197.CB as missing WARNING: atoms too close: (T0347)W200.CA and (T0347)W200.CB only 0.000 apart, marking (T0347)W200.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_366153821.pdb -s /var/tmp/to_scwrl_366153821.seq -o /var/tmp/from_scwrl_366153821.pdb > /var/tmp/scwrl_366153821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366153821.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 WARNING: atoms too close: (T0347)T2.CA and (T0347)T2.CB only 0.000 apart, marking (T0347)T2.CB as missing WARNING: atoms too close: (T0347)E6.CA and (T0347)E6.CB only 0.000 apart, marking (T0347)E6.CB as missing WARNING: atoms too close: (T0347)A13.CA and (T0347)A13.CB only 0.000 apart, marking (T0347)A13.CB as missing WARNING: atoms too close: (T0347)I14.CA and (T0347)I14.CB only 0.000 apart, marking (T0347)I14.CB as missing WARNING: atoms too close: (T0347)K16.CA and (T0347)K16.CB only 0.000 apart, marking (T0347)K16.CB as missing WARNING: atoms too close: (T0347)T20.CA and (T0347)T20.CB only 0.000 apart, marking (T0347)T20.CB as missing WARNING: atoms too close: (T0347)A23.CA and (T0347)A23.CB only 0.000 apart, marking (T0347)A23.CB as missing WARNING: atoms too close: (T0347)E28.CA and (T0347)E28.CB only 0.000 apart, marking (T0347)E28.CB as missing WARNING: atoms too close: (T0347)H51.CA and (T0347)H51.CB only 0.000 apart, marking (T0347)H51.CB as missing WARNING: atoms too close: (T0347)K60.CA and (T0347)K60.CB only 0.000 apart, marking (T0347)K60.CB as missing WARNING: atoms too close: (T0347)L65.CA and (T0347)L65.CB only 0.000 apart, marking (T0347)L65.CB as missing WARNING: atoms too close: (T0347)H68.CA and (T0347)H68.CB only 0.000 apart, marking (T0347)H68.CB as missing WARNING: atoms too close: (T0347)L75.CA and (T0347)L75.CB only 0.000 apart, marking (T0347)L75.CB as missing WARNING: atoms too close: (T0347)V80.CA and (T0347)V80.CB only 0.000 apart, marking (T0347)V80.CB as missing WARNING: atoms too close: (T0347)H82.CA and (T0347)H82.CB only 0.000 apart, marking (T0347)H82.CB as missing WARNING: atoms too close: (T0347)H93.CA and (T0347)H93.CB only 0.000 apart, marking (T0347)H93.CB as missing WARNING: atoms too close: (T0347)L94.CA and (T0347)L94.CB only 0.000 apart, marking (T0347)L94.CB as missing WARNING: atoms too close: (T0347)K96.CA and (T0347)K96.CB only 0.000 apart, marking (T0347)K96.CB as missing WARNING: atoms too close: (T0347)S101.CA and (T0347)S101.CB only 0.000 apart, marking (T0347)S101.CB as missing WARNING: atoms too close: (T0347)P111.CA and (T0347)P111.CB only 0.000 apart, marking (T0347)P111.CB as missing WARNING: atoms too close: (T0347)A114.CA and (T0347)A114.CB only 0.000 apart, marking (T0347)A114.CB as missing WARNING: atoms too close: (T0347)S121.CA and (T0347)S121.CB only 0.000 apart, marking (T0347)S121.CB as missing WARNING: atoms too close: (T0347)P125.CA and (T0347)P125.CB only 0.000 apart, marking (T0347)P125.CB as missing WARNING: atoms too close: (T0347)I128.CA and (T0347)I128.CB only 0.000 apart, marking (T0347)I128.CB as missing WARNING: atoms too close: (T0347)E132.CA and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D134.CA and (T0347)D134.CB only 0.000 apart, marking (T0347)D134.CB as missing WARNING: atoms too close: (T0347)F136.CA and (T0347)F136.CB only 0.000 apart, marking (T0347)F136.CB as missing WARNING: atoms too close: (T0347)R137.CA and (T0347)R137.CB only 0.000 apart, marking (T0347)R137.CB as missing WARNING: atoms too close: (T0347)L143.CA and (T0347)L143.CB only 0.000 apart, marking (T0347)L143.CB as missing WARNING: atoms too close: (T0347)A146.CA and (T0347)A146.CB only 0.000 apart, marking (T0347)A146.CB as missing WARNING: atoms too close: (T0347)A150.CA and (T0347)A150.CB only 0.000 apart, marking (T0347)A150.CB as missing WARNING: atoms too close: (T0347)K151.CA and (T0347)K151.CB only 0.000 apart, marking (T0347)K151.CB as missing WARNING: atoms too close: (T0347)P155.CA and (T0347)P155.CB only 0.000 apart, marking (T0347)P155.CB as missing WARNING: atoms too close: (T0347)F156.CA and (T0347)F156.CB only 0.000 apart, marking (T0347)F156.CB as missing WARNING: atoms too close: (T0347)E158.CA and (T0347)E158.CB only 0.000 apart, marking (T0347)E158.CB as missing WARNING: atoms too close: (T0347)A162.CA and (T0347)A162.CB only 0.000 apart, marking (T0347)A162.CB as missing WARNING: atoms too close: (T0347)R166.CA and (T0347)R166.CB only 0.000 apart, marking (T0347)R166.CB as missing WARNING: atoms too close: (T0347)D172.CA and (T0347)D172.CB only 0.000 apart, marking (T0347)D172.CB as missing WARNING: atoms too close: (T0347)L173.CA and (T0347)L173.CB only 0.000 apart, marking (T0347)L173.CB as missing WARNING: atoms too close: (T0347)F178.CA and (T0347)F178.CB only 0.000 apart, marking (T0347)F178.CB as missing WARNING: atoms too close: (T0347)D180.CA and (T0347)D180.CB only 0.000 apart, marking (T0347)D180.CB as missing WARNING: atoms too close: (T0347)E193.CA and (T0347)E193.CB only 0.000 apart, marking (T0347)E193.CB as missing WARNING: atoms too close: (T0347)A194.CA and (T0347)A194.CB only 0.000 apart, marking (T0347)A194.CB as missing WARNING: atoms too close: (T0347)W200.CA and (T0347)W200.CB only 0.000 apart, marking (T0347)W200.CB as missing WARNING: atoms too close: (T0347)E205.CA and (T0347)E205.CB only 0.000 apart, marking (T0347)E205.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_58381568.pdb -s /var/tmp/to_scwrl_58381568.seq -o /var/tmp/from_scwrl_58381568.pdb > /var/tmp/scwrl_58381568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_58381568.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 WARNING: atoms too close: (T0347)Y5.CA and (T0347)Y5.CB only 0.000 apart, marking (T0347)Y5.CB as missing WARNING: atoms too close: (T0347)E6.CA and (T0347)E6.CB only 0.000 apart, marking (T0347)E6.CB as missing WARNING: atoms too close: (T0347)R8.CA and (T0347)R8.CB only 0.000 apart, marking (T0347)R8.CB as missing WARNING: atoms too close: (T0347)I12.CA and (T0347)I12.CB only 0.000 apart, marking (T0347)I12.CB as missing WARNING: atoms too close: (T0347)I22.CA and (T0347)I22.CB only 0.000 apart, marking (T0347)I22.CB as missing WARNING: atoms too close: (T0347)E30.CA and (T0347)E30.CB only 0.000 apart, marking (T0347)E30.CB as missing WARNING: atoms too close: (T0347)E38.CA and (T0347)E38.CB only 0.000 apart, marking (T0347)E38.CB as missing WARNING: atoms too close: (T0347)T39.CA and (T0347)T39.CB only 0.000 apart, marking (T0347)T39.CB as missing WARNING: atoms too close: (T0347)R40.CA and (T0347)R40.CB only 0.000 apart, marking (T0347)R40.CB as missing WARNING: atoms too close: (T0347)H51.CA and (T0347)H51.CB only 0.000 apart, marking (T0347)H51.CB as missing WARNING: atoms too close: (T0347)H68.CA and (T0347)H68.CB only 0.000 apart, marking (T0347)H68.CB as missing WARNING: atoms too close: (T0347)H70.CA and (T0347)H70.CB only 0.000 apart, marking (T0347)H70.CB as missing WARNING: atoms too close: (T0347)L73.CA and (T0347)L73.CB only 0.000 apart, marking (T0347)L73.CB as missing WARNING: atoms too close: (T0347)V80.CA and (T0347)V80.CB only 0.000 apart, marking (T0347)V80.CB as missing WARNING: atoms too close: (T0347)E87.CA and (T0347)E87.CB only 0.000 apart, marking (T0347)E87.CB as missing WARNING: atoms too close: (T0347)F91.CA and (T0347)F91.CB only 0.000 apart, marking (T0347)F91.CB as missing WARNING: atoms too close: (T0347)K96.CA and (T0347)K96.CB only 0.000 apart, marking (T0347)K96.CB as missing WARNING: atoms too close: (T0347)D97.CA and (T0347)D97.CB only 0.000 apart, marking (T0347)D97.CB as missing WARNING: atoms too close: (T0347)F99.CA and (T0347)F99.CB only 0.000 apart, marking (T0347)F99.CB as missing WARNING: atoms too close: (T0347)Q120.CA and (T0347)Q120.CB only 0.000 apart, marking (T0347)Q120.CB as missing WARNING: atoms too close: (T0347)E132.CA and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D133.CA and (T0347)D133.CB only 0.000 apart, marking (T0347)D133.CB as missing WARNING: atoms too close: (T0347)D134.CA and (T0347)D134.CB only 0.000 apart, marking (T0347)D134.CB as missing WARNING: atoms too close: (T0347)L139.CA and (T0347)L139.CB only 0.000 apart, marking (T0347)L139.CB as missing WARNING: atoms too close: (T0347)K151.CA and (T0347)K151.CB only 0.000 apart, marking (T0347)K151.CB as missing WARNING: atoms too close: (T0347)V152.CA and (T0347)V152.CB only 0.000 apart, marking (T0347)V152.CB as missing WARNING: atoms too close: (T0347)S157.CA and (T0347)S157.CB only 0.000 apart, marking (T0347)S157.CB as missing WARNING: atoms too close: (T0347)A162.CA and (T0347)A162.CB only 0.000 apart, marking (T0347)A162.CB as missing WARNING: atoms too close: (T0347)R166.CA and (T0347)R166.CB only 0.000 apart, marking (T0347)R166.CB as missing WARNING: atoms too close: (T0347)R171.CA and (T0347)R171.CB only 0.000 apart, marking (T0347)R171.CB as missing WARNING: atoms too close: (T0347)S175.CA and (T0347)S175.CB only 0.000 apart, marking (T0347)S175.CB as missing WARNING: atoms too close: (T0347)D179.CA and (T0347)D179.CB only 0.000 apart, marking (T0347)D179.CB as missing WARNING: atoms too close: (T0347)A194.CA and (T0347)A194.CB only 0.000 apart, marking (T0347)A194.CB as missing WARNING: atoms too close: (T0347)W200.CA and (T0347)W200.CB only 0.000 apart, marking (T0347)W200.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2055827598.pdb -s /var/tmp/to_scwrl_2055827598.seq -o /var/tmp/from_scwrl_2055827598.pdb > /var/tmp/scwrl_2055827598.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2055827598.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1307204028.pdb -s /var/tmp/to_scwrl_1307204028.seq -o /var/tmp/from_scwrl_1307204028.pdb > /var/tmp/scwrl_1307204028.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1307204028.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_417387860.pdb -s /var/tmp/to_scwrl_417387860.seq -o /var/tmp/from_scwrl_417387860.pdb > /var/tmp/scwrl_417387860.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_417387860.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_594320945.pdb -s /var/tmp/to_scwrl_594320945.seq -o /var/tmp/from_scwrl_594320945.pdb > /var/tmp/scwrl_594320945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_594320945.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 T0347 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1292571921.pdb -s /var/tmp/to_scwrl_1292571921.seq -o /var/tmp/from_scwrl_1292571921.pdb > /var/tmp/scwrl_1292571921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292571921.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_920826537.pdb -s /var/tmp/to_scwrl_920826537.seq -o /var/tmp/from_scwrl_920826537.pdb > /var/tmp/scwrl_920826537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_920826537.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1950696062.pdb -s /var/tmp/to_scwrl_1950696062.seq -o /var/tmp/from_scwrl_1950696062.pdb > /var/tmp/scwrl_1950696062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1950696062.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2109515294.pdb -s /var/tmp/to_scwrl_2109515294.seq -o /var/tmp/from_scwrl_2109515294.pdb > /var/tmp/scwrl_2109515294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109515294.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 T0347 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_248529144.pdb -s /var/tmp/to_scwrl_248529144.seq -o /var/tmp/from_scwrl_248529144.pdb > /var/tmp/scwrl_248529144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_248529144.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 T0347 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_709634779.pdb -s /var/tmp/to_scwrl_709634779.seq -o /var/tmp/from_scwrl_709634779.pdb > /var/tmp/scwrl_709634779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709634779.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 T0347 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_477724144.pdb -s /var/tmp/to_scwrl_477724144.seq -o /var/tmp/from_scwrl_477724144.pdb > /var/tmp/scwrl_477724144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_477724144.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 T0347 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_548620833.pdb -s /var/tmp/to_scwrl_548620833.seq -o /var/tmp/from_scwrl_548620833.pdb > /var/tmp/scwrl_548620833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_548620833.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 185 ; scwrl3 -i /var/tmp/to_scwrl_1154128655.pdb -s /var/tmp/to_scwrl_1154128655.seq -o /var/tmp/from_scwrl_1154128655.pdb > /var/tmp/scwrl_1154128655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154128655.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_172868762.pdb -s /var/tmp/to_scwrl_172868762.seq -o /var/tmp/from_scwrl_172868762.pdb > /var/tmp/scwrl_172868762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_172868762.pdb # conformation set from SCWRL output # naming current conformation SP3_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 109 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_631783421.pdb -s /var/tmp/to_scwrl_631783421.seq -o /var/tmp/from_scwrl_631783421.pdb > /var/tmp/scwrl_631783421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_631783421.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 173 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_397799689.pdb -s /var/tmp/to_scwrl_397799689.seq -o /var/tmp/from_scwrl_397799689.pdb > /var/tmp/scwrl_397799689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_397799689.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 177 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1565233758.pdb -s /var/tmp/to_scwrl_1565233758.seq -o /var/tmp/from_scwrl_1565233758.pdb > /var/tmp/scwrl_1565233758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1565233758.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_379219668.pdb -s /var/tmp/to_scwrl_379219668.seq -o /var/tmp/from_scwrl_379219668.pdb > /var/tmp/scwrl_379219668.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_379219668.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 177 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1234243626.pdb -s /var/tmp/to_scwrl_1234243626.seq -o /var/tmp/from_scwrl_1234243626.pdb > /var/tmp/scwrl_1234243626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1234243626.pdb # conformation set from SCWRL output # naming current conformation SP4_TS2-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_719780468.pdb -s /var/tmp/to_scwrl_719780468.seq -o /var/tmp/from_scwrl_719780468.pdb > /var/tmp/scwrl_719780468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_719780468.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 138 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1537260165.pdb -s /var/tmp/to_scwrl_1537260165.seq -o /var/tmp/from_scwrl_1537260165.pdb > /var/tmp/scwrl_1537260165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1537260165.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 107 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_551546435.pdb -s /var/tmp/to_scwrl_551546435.seq -o /var/tmp/from_scwrl_551546435.pdb > /var/tmp/scwrl_551546435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_551546435.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 135 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1848080335.pdb -s /var/tmp/to_scwrl_1848080335.seq -o /var/tmp/from_scwrl_1848080335.pdb > /var/tmp/scwrl_1848080335.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1848080335.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS1-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_951470504.pdb -s /var/tmp/to_scwrl_951470504.seq -o /var/tmp/from_scwrl_951470504.pdb > /var/tmp/scwrl_951470504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951470504.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 180 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1509238322.pdb -s /var/tmp/to_scwrl_1509238322.seq -o /var/tmp/from_scwrl_1509238322.pdb > /var/tmp/scwrl_1509238322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1509238322.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 198 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_240821587.pdb -s /var/tmp/to_scwrl_240821587.seq -o /var/tmp/from_scwrl_240821587.pdb > /var/tmp/scwrl_240821587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_240821587.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 175 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1798143246.pdb -s /var/tmp/to_scwrl_1798143246.seq -o /var/tmp/from_scwrl_1798143246.pdb > /var/tmp/scwrl_1798143246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1798143246.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 T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1335737761.pdb -s /var/tmp/to_scwrl_1335737761.seq -o /var/tmp/from_scwrl_1335737761.pdb > /var/tmp/scwrl_1335737761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1335737761.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 T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_271059539.pdb -s /var/tmp/to_scwrl_271059539.seq -o /var/tmp/from_scwrl_271059539.pdb > /var/tmp/scwrl_271059539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_271059539.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 T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_16813420.pdb -s /var/tmp/to_scwrl_16813420.seq -o /var/tmp/from_scwrl_16813420.pdb > /var/tmp/scwrl_16813420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_16813420.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 T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1394119329.pdb -s /var/tmp/to_scwrl_1394119329.seq -o /var/tmp/from_scwrl_1394119329.pdb > /var/tmp/scwrl_1394119329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1394119329.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 T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_179403490.pdb -s /var/tmp/to_scwrl_179403490.seq -o /var/tmp/from_scwrl_179403490.pdb > /var/tmp/scwrl_179403490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_179403490.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: atoms too close: (T0347)I22.CA and (T0347)E30.CA only 0.000 apart, marking (T0347)E30.CA as missing WARNING: atoms too close: (T0347)A23.N and (T0347)L31.N only 0.000 apart, marking (T0347)L31.N as missing WARNING: atoms too close: (T0347)A23.CA and (T0347)L31.CA only 0.000 apart, marking (T0347)L31.CA as missing WARNING: atoms too close: (T0347)A23.CB and (T0347)L31.CB only 0.000 apart, marking (T0347)L31.CB as missing WARNING: atoms too close: (T0347)A23.O and (T0347)L31.O only 0.000 apart, marking (T0347)L31.O as missing WARNING: atoms too close: (T0347)A23.C and (T0347)L31.C only 0.000 apart, marking (T0347)L31.C as missing WARNING: atoms too close: (T0347)V24.N and (T0347)K32.N only 0.000 apart, marking (T0347)K32.N as missing WARNING: atoms too close: (T0347)V24.CA and (T0347)K32.CA only 0.000 apart, marking (T0347)K32.CA as missing WARNING: atoms too close: (T0347)V24.CB and (T0347)K32.CB only 0.000 apart, marking (T0347)K32.CB as missing WARNING: atoms too close: (T0347)V24.O and (T0347)K32.O only 0.000 apart, marking (T0347)K32.O as missing WARNING: atoms too close: (T0347)V24.C and (T0347)K32.C only 0.000 apart, marking (T0347)K32.C as missing WARNING: atoms too close: (T0347)G25.N and (T0347)R33.N only 0.000 apart, marking (T0347)R33.N as missing WARNING: atoms too close: (T0347)G25.CA and (T0347)R33.CA only 0.000 apart, marking (T0347)R33.CA as missing WARNING: atoms too close: (T0347)G25.O and (T0347)R33.O only 0.000 apart, marking (T0347)R33.O as missing WARNING: atoms too close: (T0347)G25.C and (T0347)R33.C only 0.000 apart, marking (T0347)R33.C as missing WARNING: atoms too close: (T0347)F26.N and (T0347)K34.N only 0.000 apart, marking (T0347)K34.N as missing WARNING: atoms too close: (T0347)F26.CA and (T0347)K34.CA only 0.000 apart, marking (T0347)K34.CA as missing WARNING: atoms too close: (T0347)F26.CB and (T0347)K34.CB only 0.000 apart, marking (T0347)K34.CB as missing WARNING: atoms too close: (T0347)F26.O and (T0347)K34.O only 0.000 apart, marking (T0347)K34.O as missing WARNING: atoms too close: (T0347)F26.C and (T0347)K34.C only 0.000 apart, marking (T0347)K34.C as missing WARNING: atoms too close: (T0347)R27.N and (T0347)E35.N only 0.000 apart, marking (T0347)E35.N as missing WARNING: atoms too close: (T0347)R27.CA and (T0347)E35.CA only 0.000 apart, marking (T0347)E35.CA as missing WARNING: atoms too close: (T0347)R27.CB and (T0347)E35.CB only 0.000 apart, marking (T0347)E35.CB as missing WARNING: atoms too close: (T0347)R27.C and (T0347)E35.C only 0.000 apart, marking (T0347)E35.C as missing WARNING: atoms too close: (T0347)E28.CA and (T0347)W36.CA only 0.000 apart, marking (T0347)W36.CA as missing WARNING: atoms too close: (T0347)V29.CA and (T0347)R37.CA only 0.000 apart, marking (T0347)R37.CA as missing WARNING: atoms too close: (T0347)A89.CA and (T0347)L117.CA only 0.000 apart, marking (T0347)L117.CA as missing WARNING: atoms too close: (T0347)K90.CA and (T0347)R118.CA only 0.000 apart, marking (T0347)R118.CA as missing WARNING: atoms too close: (T0347)V102.CA and (T0347)D130.CA only 0.000 apart, marking (T0347)D130.CA as missing WARNING: atoms too close: (T0347)M103.N and (T0347)L131.N only 0.000 apart, marking (T0347)L131.N as missing WARNING: atoms too close: (T0347)M103.CA and (T0347)L131.CA only 0.000 apart, marking (T0347)L131.CA as missing WARNING: atoms too close: (T0347)M103.CB and (T0347)L131.CB only 0.000 apart, marking (T0347)L131.CB as missing WARNING: atoms too close: (T0347)M103.O and (T0347)L131.O only 0.000 apart, marking (T0347)L131.O as missing WARNING: atoms too close: (T0347)M103.C and (T0347)L131.C only 0.000 apart, marking (T0347)L131.C as missing WARNING: atoms too close: (T0347)D104.N and (T0347)E132.N only 0.000 apart, marking (T0347)E132.N as missing WARNING: atoms too close: (T0347)D104.CA and (T0347)E132.CA only 0.000 apart, marking (T0347)E132.CA as missing WARNING: atoms too close: (T0347)D104.CB and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D104.C and (T0347)E132.C only 0.000 apart, marking (T0347)E132.C as missing WARNING: atoms too close: (T0347)H105.CA and (T0347)D133.CA only 0.000 apart, marking (T0347)D133.CA as missing WARNING: atoms too close: (T0347)R106.CA and (T0347)P135.CA only 0.000 apart, marking (T0347)P135.CA as missing WARNING: atoms too close: (T0347)R137.CA and (T0347)F156.CA only 0.000 apart, marking (T0347)F156.CA as missing WARNING: atoms too close: (T0347)S138.N and (T0347)S157.N only 0.000 apart, marking (T0347)S157.N as missing WARNING: atoms too close: (T0347)S138.CA and (T0347)S157.CA only 0.000 apart, marking (T0347)S157.CA as missing WARNING: atoms too close: (T0347)S138.CB and (T0347)S157.CB only 0.000 apart, marking (T0347)S157.CB as missing WARNING: atoms too close: (T0347)S138.O and (T0347)S157.O only 0.000 apart, marking (T0347)S157.O as missing WARNING: atoms too close: (T0347)S138.C and (T0347)S157.C only 0.000 apart, marking (T0347)S157.C as missing WARNING: atoms too close: (T0347)L139.N and (T0347)E158.N only 0.000 apart, marking (T0347)E158.N as missing WARNING: atoms too close: (T0347)L139.CA and (T0347)E158.CA only 0.000 apart, marking (T0347)E158.CA as missing WARNING: atoms too close: (T0347)L139.CB and (T0347)E158.CB only 0.000 apart, marking (T0347)E158.CB as missing WARNING: atoms too close: (T0347)L139.O and (T0347)E158.O only 0.000 apart, marking (T0347)E158.O as missing WARNING: atoms too close: (T0347)L139.C and (T0347)E158.C only 0.000 apart, marking (T0347)E158.C as missing WARNING: atoms too close: (T0347)A140.N and (T0347)F159.N only 0.000 apart, marking (T0347)F159.N as missing WARNING: atoms too close: (T0347)A140.CA and (T0347)F159.CA only 0.000 apart, marking (T0347)F159.CA as missing WARNING: atoms too close: (T0347)A140.CB and (T0347)F159.CB only 0.000 apart, marking (T0347)F159.CB as missing WARNING: atoms too close: (T0347)A140.O and (T0347)F159.O only 0.000 apart, marking (T0347)F159.O as missing WARNING: atoms too close: (T0347)A140.C and (T0347)F159.C only 0.000 apart, marking (T0347)F159.C as missing WARNING: atoms too close: (T0347)G141.N and (T0347)G160.N only 0.000 apart, marking (T0347)G160.N as missing WARNING: atoms too close: (T0347)G141.CA and (T0347)G160.CA only 0.000 apart, marking (T0347)G160.CA as missing WARNING: atoms too close: (T0347)G141.O and (T0347)G160.O only 0.000 apart, marking (T0347)G160.O as missing WARNING: atoms too close: (T0347)G141.C and (T0347)G160.C only 0.000 apart, marking (T0347)G160.C as missing WARNING: atoms too close: (T0347)A142.N and (T0347)W161.N only 0.000 apart, marking (T0347)W161.N as missing WARNING: atoms too close: (T0347)A142.CA and (T0347)W161.CA only 0.000 apart, marking (T0347)W161.CA as missing WARNING: atoms too close: (T0347)A142.CB and (T0347)W161.CB only 0.000 apart, marking (T0347)W161.CB as missing WARNING: atoms too close: (T0347)A142.O and (T0347)W161.O only 0.000 apart, marking (T0347)W161.O as missing WARNING: atoms too close: (T0347)A142.C and (T0347)W161.C only 0.000 apart, marking (T0347)W161.C as missing WARNING: atoms too close: (T0347)L143.N and (T0347)A162.N only 0.000 apart, marking (T0347)L143.N as missing WARNING: atoms too close: (T0347)L143.CA and (T0347)A162.CA only 0.000 apart, marking (T0347)L143.CA as missing WARNING: atoms too close: (T0347)L143.CB and (T0347)A162.CB only 0.000 apart, marking (T0347)L143.CB as missing WARNING: atoms too close: (T0347)L143.C and (T0347)A162.C only 0.000 apart, marking (T0347)L143.C as missing WARNING: atoms too close: (T0347)R144.CA and (T0347)D163.CA only 0.000 apart, marking (T0347)D163.CA as missing WARNING: atoms too close: (T0347)M145.CA and (T0347)F164.CA only 0.000 apart, marking (T0347)F164.CA as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1324017448.pdb -s /var/tmp/to_scwrl_1324017448.seq -o /var/tmp/from_scwrl_1324017448.pdb > /var/tmp/scwrl_1324017448.log Error: Couldn't open file /var/tmp/from_scwrl_1324017448.pdb or /var/tmp/from_scwrl_1324017448.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1324017448_b.pdb or decoys//var/tmp/from_scwrl_1324017448_b.pdb.gz for input Trying /var/tmp/from_scwrl_1324017448_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1324017448_b.pdb or /var/tmp/from_scwrl_1324017448_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1324017448_a.pdb or decoys//var/tmp/from_scwrl_1324017448_a.pdb.gz for input Trying /var/tmp/from_scwrl_1324017448_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1324017448_a.pdb or /var/tmp/from_scwrl_1324017448_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1324017448.pdb or /var/tmp/from_scwrl_1324017448_b.pdb or /var/tmp/from_scwrl_1324017448_a.pdb Error: no new SCWRL conformation added # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1811507190.pdb -s /var/tmp/to_scwrl_1811507190.seq -o /var/tmp/from_scwrl_1811507190.pdb > /var/tmp/scwrl_1811507190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1811507190.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 T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_773724435.pdb -s /var/tmp/to_scwrl_773724435.seq -o /var/tmp/from_scwrl_773724435.pdb > /var/tmp/scwrl_773724435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_773724435.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 26, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_469105724.pdb -s /var/tmp/to_scwrl_469105724.seq -o /var/tmp/from_scwrl_469105724.pdb > /var/tmp/scwrl_469105724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_469105724.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_584850080.pdb -s /var/tmp/to_scwrl_584850080.seq -o /var/tmp/from_scwrl_584850080.pdb > /var/tmp/scwrl_584850080.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_584850080.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 201 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_576936850.pdb -s /var/tmp/to_scwrl_576936850.seq -o /var/tmp/from_scwrl_576936850.pdb > /var/tmp/scwrl_576936850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576936850.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 202 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_431137371.pdb -s /var/tmp/to_scwrl_431137371.seq -o /var/tmp/from_scwrl_431137371.pdb > /var/tmp/scwrl_431137371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431137371.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 199 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_833379224.pdb -s /var/tmp/to_scwrl_833379224.seq -o /var/tmp/from_scwrl_833379224.pdb > /var/tmp/scwrl_833379224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_833379224.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 199 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1286571629.pdb -s /var/tmp/to_scwrl_1286571629.seq -o /var/tmp/from_scwrl_1286571629.pdb > /var/tmp/scwrl_1286571629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1286571629.pdb # conformation set from SCWRL output # naming current conformation Zhang-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_908861516.pdb -s /var/tmp/to_scwrl_908861516.seq -o /var/tmp/from_scwrl_908861516.pdb > /var/tmp/scwrl_908861516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_908861516.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 T0347 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1382000057.pdb -s /var/tmp/to_scwrl_1382000057.seq -o /var/tmp/from_scwrl_1382000057.pdb > /var/tmp/scwrl_1382000057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1382000057.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 Skipped atom 163, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_293216638.pdb -s /var/tmp/to_scwrl_293216638.seq -o /var/tmp/from_scwrl_293216638.pdb > /var/tmp/scwrl_293216638.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_293216638.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 T0347 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1081730277.pdb -s /var/tmp/to_scwrl_1081730277.seq -o /var/tmp/from_scwrl_1081730277.pdb > /var/tmp/scwrl_1081730277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081730277.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 T0347 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2013783478.pdb -s /var/tmp/to_scwrl_2013783478.seq -o /var/tmp/from_scwrl_2013783478.pdb > /var/tmp/scwrl_2013783478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2013783478.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 T0347 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_691016328.pdb -s /var/tmp/to_scwrl_691016328.seq -o /var/tmp/from_scwrl_691016328.pdb > /var/tmp/scwrl_691016328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_691016328.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 T0347 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_499480390.pdb -s /var/tmp/to_scwrl_499480390.seq -o /var/tmp/from_scwrl_499480390.pdb > /var/tmp/scwrl_499480390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499480390.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 # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_245519500.pdb -s /var/tmp/to_scwrl_245519500.seq -o /var/tmp/from_scwrl_245519500.pdb > /var/tmp/scwrl_245519500.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_245519500.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1925259954.pdb -s /var/tmp/to_scwrl_1925259954.seq -o /var/tmp/from_scwrl_1925259954.pdb > /var/tmp/scwrl_1925259954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925259954.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 43 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1219260857.pdb -s /var/tmp/to_scwrl_1219260857.seq -o /var/tmp/from_scwrl_1219260857.pdb > /var/tmp/scwrl_1219260857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219260857.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 146 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1782779665.pdb -s /var/tmp/to_scwrl_1782779665.seq -o /var/tmp/from_scwrl_1782779665.pdb > /var/tmp/scwrl_1782779665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1782779665.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_329322742.pdb -s /var/tmp/to_scwrl_329322742.seq -o /var/tmp/from_scwrl_329322742.pdb > /var/tmp/scwrl_329322742.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_329322742.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_919857546.pdb -s /var/tmp/to_scwrl_919857546.seq -o /var/tmp/from_scwrl_919857546.pdb > /var/tmp/scwrl_919857546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_919857546.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0347)L188.O and (T0347)A189.N only 0.000 apart, marking (T0347)A189.N as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_586766522.pdb -s /var/tmp/to_scwrl_586766522.seq -o /var/tmp/from_scwrl_586766522.pdb > /var/tmp/scwrl_586766522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_586766522.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1838561064.pdb -s /var/tmp/to_scwrl_1838561064.seq -o /var/tmp/from_scwrl_1838561064.pdb > /var/tmp/scwrl_1838561064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1838561064.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1160679132.pdb -s /var/tmp/to_scwrl_1160679132.seq -o /var/tmp/from_scwrl_1160679132.pdb > /var/tmp/scwrl_1160679132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1160679132.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_237426122.pdb -s /var/tmp/to_scwrl_237426122.seq -o /var/tmp/from_scwrl_237426122.pdb > /var/tmp/scwrl_237426122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237426122.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1026815180.pdb -s /var/tmp/to_scwrl_1026815180.seq -o /var/tmp/from_scwrl_1026815180.pdb > /var/tmp/scwrl_1026815180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1026815180.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1431738671.pdb -s /var/tmp/to_scwrl_1431738671.seq -o /var/tmp/from_scwrl_1431738671.pdb > /var/tmp/scwrl_1431738671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1431738671.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 T0347 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_254239542.pdb -s /var/tmp/to_scwrl_254239542.seq -o /var/tmp/from_scwrl_254239542.pdb > /var/tmp/scwrl_254239542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_254239542.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 T0347 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_273450862.pdb -s /var/tmp/to_scwrl_273450862.seq -o /var/tmp/from_scwrl_273450862.pdb > /var/tmp/scwrl_273450862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_273450862.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 T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1611142162.pdb -s /var/tmp/to_scwrl_1611142162.seq -o /var/tmp/from_scwrl_1611142162.pdb > /var/tmp/scwrl_1611142162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1611142162.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 185 ; scwrl3 -i /var/tmp/to_scwrl_1578256991.pdb -s /var/tmp/to_scwrl_1578256991.seq -o /var/tmp/from_scwrl_1578256991.pdb > /var/tmp/scwrl_1578256991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1578256991.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 185 ; scwrl3 -i /var/tmp/to_scwrl_2084958052.pdb -s /var/tmp/to_scwrl_2084958052.seq -o /var/tmp/from_scwrl_2084958052.pdb > /var/tmp/scwrl_2084958052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2084958052.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 185 ; scwrl3 -i /var/tmp/to_scwrl_237382950.pdb -s /var/tmp/to_scwrl_237382950.seq -o /var/tmp/from_scwrl_237382950.pdb > /var/tmp/scwrl_237382950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237382950.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 185 ; scwrl3 -i /var/tmp/to_scwrl_2047362715.pdb -s /var/tmp/to_scwrl_2047362715.seq -o /var/tmp/from_scwrl_2047362715.pdb > /var/tmp/scwrl_2047362715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2047362715.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 185 ; scwrl3 -i /var/tmp/to_scwrl_522324485.pdb -s /var/tmp/to_scwrl_522324485.seq -o /var/tmp/from_scwrl_522324485.pdb > /var/tmp/scwrl_522324485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_522324485.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: atom 387 has residue number 30 < previous residue 92 in servers/mGen-3D_TS1.pdb.gz WARNING: atom 786 has residue number 23 < previous residue 205 in servers/mGen-3D_TS1.pdb.gz # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_814319801.pdb -s /var/tmp/to_scwrl_814319801.seq -o /var/tmp/from_scwrl_814319801.pdb > /var/tmp/scwrl_814319801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814319801.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 T0347 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_331016439.pdb -s /var/tmp/to_scwrl_331016439.seq -o /var/tmp/from_scwrl_331016439.pdb > /var/tmp/scwrl_331016439.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331016439.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 T0347 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1355703709.pdb -s /var/tmp/to_scwrl_1355703709.seq -o /var/tmp/from_scwrl_1355703709.pdb > /var/tmp/scwrl_1355703709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1355703709.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 T0347 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_2100891430.pdb -s /var/tmp/to_scwrl_2100891430.seq -o /var/tmp/from_scwrl_2100891430.pdb > /var/tmp/scwrl_2100891430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2100891430.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 T0347 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_1239877954.pdb -s /var/tmp/to_scwrl_1239877954.seq -o /var/tmp/from_scwrl_1239877954.pdb > /var/tmp/scwrl_1239877954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1239877954.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 T0347 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_590220120.pdb -s /var/tmp/to_scwrl_590220120.seq -o /var/tmp/from_scwrl_590220120.pdb > /var/tmp/scwrl_590220120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_590220120.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 185 ; scwrl3 -i /var/tmp/to_scwrl_246624421.pdb -s /var/tmp/to_scwrl_246624421.seq -o /var/tmp/from_scwrl_246624421.pdb > /var/tmp/scwrl_246624421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246624421.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 76.394 sec, elapsed time= 2401.797 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 105.393 real_cost = 285.122 shub_TS1 costs 105.450 real_cost = 285.202 nFOLD_TS5-scwrl costs 123.261 real_cost = 352.718 nFOLD_TS5 costs 123.343 real_cost = 468.841 nFOLD_TS4-scwrl costs 112.205 real_cost = 328.340 nFOLD_TS4 costs 112.202 real_cost = 437.163 nFOLD_TS3-scwrl costs 113.086 real_cost = 319.581 nFOLD_TS3 costs 113.089 real_cost = 419.616 nFOLD_TS2-scwrl costs 126.139 real_cost = 369.276 nFOLD_TS2 costs 126.288 real_cost = 486.311 nFOLD_TS1-scwrl costs 122.736 real_cost = 309.309 nFOLD_TS1 costs 122.744 real_cost = 425.644 mGen-3D_TS1-scwrl costs 82.442 real_cost = 292.728 mGen-3D_TS1 costs 82.456 real_cost = 378.210 keasar-server_TS5-scwrl costs 113.437 real_cost = 302.368 keasar-server_TS5 costs 113.437 real_cost = 306.608 keasar-server_TS4-scwrl costs 112.983 real_cost = 323.632 keasar-server_TS4 costs 112.983 real_cost = 329.749 keasar-server_TS3-scwrl costs 110.415 real_cost = 272.696 keasar-server_TS3 costs 110.415 real_cost = 279.605 keasar-server_TS2-scwrl costs 106.184 real_cost = 276.314 keasar-server_TS2 costs 106.184 real_cost = 286.392 keasar-server_TS1-scwrl costs 109.705 real_cost = 272.907 keasar-server_TS1 costs 109.705 real_cost = 272.761 karypis.srv_TS5-scwrl costs 87.732 real_cost = 262.266 karypis.srv_TS5 costs 87.732 real_cost = 259.665 karypis.srv_TS4-scwrl costs 91.924 real_cost = 267.534 karypis.srv_TS4 costs 91.916 real_cost = 265.749 karypis.srv_TS3-scwrl costs 101.586 real_cost = 302.000 karypis.srv_TS3 costs 101.586 real_cost = 300.642 karypis.srv_TS2-scwrl costs 72.577 real_cost = 346.122 karypis.srv_TS2 costs 72.576 real_cost = 346.983 karypis.srv_TS1-scwrl costs 85.236 real_cost = 286.998 karypis.srv_TS1 costs 85.253 real_cost = 283.033 karypis.srv.4_TS5-scwrl costs 146.770 real_cost = 331.988 karypis.srv.4_TS5 costs 146.770 real_cost = 331.988 karypis.srv.4_TS4-scwrl costs 149.482 real_cost = 324.943 karypis.srv.4_TS4 costs 149.482 real_cost = 324.211 karypis.srv.4_TS3-scwrl costs 123.325 real_cost = 332.297 karypis.srv.4_TS3 costs 123.325 real_cost = 332.042 karypis.srv.4_TS2-scwrl costs 153.986 real_cost = 300.792 karypis.srv.4_TS2 costs 153.986 real_cost = 301.059 karypis.srv.4_TS1-scwrl costs 112.514 real_cost = 287.965 karypis.srv.4_TS1 costs 112.514 real_cost = 287.931 karypis.srv.2_TS5-scwrl costs 78.637 real_cost = 285.560 karypis.srv.2_TS5 costs 78.637 real_cost = 285.560 karypis.srv.2_TS4-scwrl costs 90.641 real_cost = 268.315 karypis.srv.2_TS4 costs 90.641 real_cost = 268.315 karypis.srv.2_TS3-scwrl costs 100.625 real_cost = 275.208 karypis.srv.2_TS3 costs 100.625 real_cost = 275.208 karypis.srv.2_TS2-scwrl costs 109.770 real_cost = 295.166 karypis.srv.2_TS2 costs 109.770 real_cost = 295.166 karypis.srv.2_TS1-scwrl costs 113.054 real_cost = 331.426 karypis.srv.2_TS1 costs 113.054 real_cost = 331.426 forecast-s_AL5-scwrl costs 118.591 real_cost = 440.005 forecast-s_AL5 costs 118.655 real_cost = 526.173 forecast-s_AL4-scwrl costs 111.712 real_cost = 430.787 forecast-s_AL4 costs 111.736 real_cost = 560.066 forecast-s_AL3-scwrl costs 115.145 real_cost = 498.087 forecast-s_AL3 costs 115.115 real_cost = 565.853 forecast-s_AL2-scwrl costs 101.996 real_cost = 540.389 forecast-s_AL2 costs 101.993 real_cost = 567.006 forecast-s_AL1-scwrl costs 110.279 real_cost = 477.985 forecast-s_AL1 costs 110.485 real_cost = 545.496 beautshotbase_TS1-scwrl costs 91.924 real_cost = 299.599 beautshotbase_TS1 costs 91.943 real_cost = 296.929 beautshot_TS1-scwrl costs 126.055 real_cost = 321.166 beautshot_TS1 costs 126.055 real_cost = 321.957 Zhang-Server_TS5-scwrl costs 67.760 real_cost = 137.339 Zhang-Server_TS5 costs 67.760 real_cost = 136.847 Zhang-Server_TS4-scwrl costs 70.428 real_cost = 175.606 Zhang-Server_TS4 costs 70.428 real_cost = 175.752 Zhang-Server_TS3-scwrl costs 65.257 real_cost = 139.851 Zhang-Server_TS3 costs 65.257 real_cost = 142.429 Zhang-Server_TS2-scwrl costs 73.520 real_cost = 176.696 Zhang-Server_TS2 costs 73.520 real_cost = 173.663 Zhang-Server_TS1-scwrl costs 62.253 real_cost = 147.345 Zhang-Server_TS1 costs 62.253 real_cost = 145.890 UNI-EID_sfst_AL3-scwrl costs 76.968 real_cost = 314.291 UNI-EID_sfst_AL3 costs 76.946 real_cost = 348.738 UNI-EID_sfst_AL2-scwrl costs 85.970 real_cost = 470.179 UNI-EID_sfst_AL2 costs 85.946 real_cost = 508.589 UNI-EID_sfst_AL1-scwrl costs 78.101 real_cost = 372.149 UNI-EID_sfst_AL1 costs 78.134 real_cost = 455.641 UNI-EID_expm_TS1-scwrl costs 101.931 real_cost = 421.218 UNI-EID_bnmx_TS5-scwrl costs 90.502 real_cost = 549.761 UNI-EID_bnmx_TS5 costs 90.470 real_cost = 585.772 UNI-EID_bnmx_TS4-scwrl costs 100.466 real_cost = 590.007 UNI-EID_bnmx_TS4 costs 100.479 real_cost = 614.783 UNI-EID_bnmx_TS3-scwrl costs 77.855 real_cost = 309.127 UNI-EID_bnmx_TS3 costs 77.866 real_cost = 370.427 UNI-EID_bnmx_TS2-scwrl costs 91.983 real_cost = 306.003 UNI-EID_bnmx_TS2 costs 92.029 real_cost = 422.522 UNI-EID_bnmx_TS1-scwrl costs 70.616 real_cost = 320.428 UNI-EID_bnmx_TS1 costs 70.637 real_cost = 417.714 SPARKS2_TS5-scwrl costs 90.792 real_cost = 266.084 SPARKS2_TS5 costs 90.792 real_cost = 279.555 SPARKS2_TS4-scwrl costs 88.262 real_cost = 249.894 SPARKS2_TS4 costs 88.262 real_cost = 252.543 SPARKS2_TS3-scwrl costs 80.314 real_cost = 265.751 SPARKS2_TS3 costs 80.314 real_cost = 267.463 SPARKS2_TS2-scwrl costs 69.382 real_cost = 147.427 SPARKS2_TS2 costs 69.382 real_cost = 148.720 SPARKS2_TS1-scwrl costs 67.679 real_cost = 264.583 SPARKS2_TS1 costs 67.679 real_cost = 267.933 SP4_TS5-scwrl costs 88.489 real_cost = 293.552 SP4_TS5 costs 88.489 real_cost = 291.003 SP4_TS4-scwrl costs 86.079 real_cost = 262.513 SP4_TS4 costs 86.079 real_cost = 263.280 SP4_TS3-scwrl costs 81.964 real_cost = 253.641 SP4_TS3 costs 81.964 real_cost = 252.645 SP4_TS2-scwrl costs 75.481 real_cost = 256.710 SP4_TS2 costs 75.481 real_cost = 255.955 SP4_TS1-scwrl costs 86.268 real_cost = 243.197 SP4_TS1 costs 86.268 real_cost = 244.312 SP3_TS5-scwrl costs 81.639 real_cost = 270.568 SP3_TS5 costs 81.639 real_cost = 271.301 SP3_TS4-scwrl costs 76.758 real_cost = 251.763 SP3_TS4 costs 76.758 real_cost = 253.814 SP3_TS3-scwrl costs 80.969 real_cost = 274.631 SP3_TS3 costs 80.969 real_cost = 278.807 SP3_TS2-scwrl costs 75.776 real_cost = 151.301 SP3_TS2 costs 75.776 real_cost = 151.610 SP3_TS1-scwrl costs 74.672 real_cost = 250.447 SP3_TS1 costs 74.672 real_cost = 251.067 SAM_T06_server_TS5-scwrl costs 71.283 real_cost = 312.239 SAM_T06_server_TS5 costs 71.325 real_cost = 301.798 SAM_T06_server_TS4-scwrl costs 92.980 real_cost = 550.662 SAM_T06_server_TS4 costs 93.175 real_cost = 525.167 SAM_T06_server_TS3-scwrl costs 88.593 real_cost = 496.676 SAM_T06_server_TS3 costs 88.569 real_cost = 485.504 SAM_T06_server_TS2-scwrl costs 88.062 real_cost = 378.152 SAM_T06_server_TS2 costs 88.047 real_cost = 338.392 SAM_T06_server_TS1-scwrl costs 64.911 real_cost = 138.949 SAM_T06_server_TS1 costs 64.911 real_cost = 140.726 SAM-T99_AL1-scwrl costs 86.993 real_cost = 383.044 SAM-T99_AL1 costs 86.983 real_cost = 385.456 SAM-T02_AL5-scwrl costs 85.157 real_cost = 443.589 SAM-T02_AL5 costs 85.179 real_cost = 520.291 SAM-T02_AL4-scwrl costs 81.996 real_cost = 549.714 SAM-T02_AL4 costs 81.977 real_cost = 553.873 SAM-T02_AL3-scwrl costs 89.976 real_cost = 527.386 SAM-T02_AL3 costs 89.984 real_cost = 540.120 SAM-T02_AL2-scwrl costs 81.988 real_cost = 547.482 SAM-T02_AL2 costs 81.996 real_cost = 554.792 SAM-T02_AL1-scwrl costs 76.160 real_cost = 352.034 SAM-T02_AL1 costs 76.299 real_cost = 404.852 ROKKY_TS5-scwrl costs 56.957 real_cost = 222.750 ROKKY_TS5 costs 56.957 real_cost = 354.541 ROKKY_TS4-scwrl costs 54.416 real_cost = 244.934 ROKKY_TS4 costs 54.416 real_cost = 379.509 ROKKY_TS3-scwrl costs 48.302 real_cost = 248.517 ROKKY_TS3 costs 48.302 real_cost = 385.900 ROKKY_TS2-scwrl costs 52.924 real_cost = 254.755 ROKKY_TS2 costs 52.924 real_cost = 389.584 ROKKY_TS1-scwrl costs 62.079 real_cost = 248.405 ROKKY_TS1 costs 62.079 real_cost = 384.335 ROBETTA_TS5-scwrl costs 62.493 real_cost = 159.926 ROBETTA_TS5 costs 62.493 real_cost = 164.558 ROBETTA_TS4-scwrl costs 50.917 real_cost = 232.290 ROBETTA_TS4 costs 50.917 real_cost = 234.349 ROBETTA_TS3-scwrl costs 63.751 real_cost = 160.171 ROBETTA_TS3 costs 63.751 real_cost = 156.618 ROBETTA_TS2-scwrl costs 42.839 real_cost = 231.903 ROBETTA_TS2 costs 42.839 real_cost = 226.068 ROBETTA_TS1-scwrl costs 66.402 real_cost = 145.383 ROBETTA_TS1 costs 66.402 real_cost = 144.713 RAPTOR_TS5-scwrl costs 74.188 real_cost = 240.665 RAPTOR_TS5 costs 74.188 real_cost = 242.748 RAPTOR_TS4-scwrl costs 70.384 real_cost = 232.565 RAPTOR_TS4 costs 70.384 real_cost = 237.307 RAPTOR_TS3-scwrl costs 89.746 real_cost = 231.679 RAPTOR_TS3 costs 89.746 real_cost = 233.506 RAPTOR_TS2-scwrl costs 74.792 real_cost = 245.913 RAPTOR_TS2 costs 74.792 real_cost = 244.681 RAPTOR_TS1-scwrl costs 103.848 real_cost = 235.913 RAPTOR_TS1 costs 103.848 real_cost = 239.369 RAPTORESS_TS5-scwrl costs 81.013 real_cost = 246.628 RAPTORESS_TS5 costs 81.013 real_cost = 248.127 RAPTORESS_TS4-scwrl costs 96.459 real_cost = 254.866 RAPTORESS_TS4 costs 96.459 real_cost = 256.435 RAPTORESS_TS3-scwrl costs 89.401 real_cost = 253.593 RAPTORESS_TS3 costs 89.401 real_cost = 258.296 RAPTORESS_TS2-scwrl costs 84.197 real_cost = 245.225 RAPTORESS_TS2 costs 84.197 real_cost = 248.957 RAPTORESS_TS1-scwrl costs 109.613 real_cost = 247.932 RAPTORESS_TS1 costs 109.613 real_cost = 251.611 RAPTOR-ACE_TS5-scwrl costs 109.817 real_cost = 304.292 RAPTOR-ACE_TS5 costs 109.817 real_cost = 309.044 RAPTOR-ACE_TS4-scwrl costs 76.758 real_cost = 251.763 RAPTOR-ACE_TS4 costs 76.758 real_cost = 253.814 RAPTOR-ACE_TS3-scwrl costs 79.560 real_cost = 262.132 RAPTOR-ACE_TS3 costs 79.560 real_cost = 270.399 RAPTOR-ACE_TS2-scwrl costs 72.833 real_cost = 242.735 RAPTOR-ACE_TS2 costs 72.833 real_cost = 242.730 RAPTOR-ACE_TS1-scwrl costs 110.791 real_cost = 299.537 RAPTOR-ACE_TS1 costs 110.791 real_cost = 301.650 Pmodeller6_TS5-scwrl costs 60.403 real_cost = 240.187 Pmodeller6_TS5 costs 60.402 real_cost = 237.537 Pmodeller6_TS4-scwrl costs 62.493 real_cost = 159.926 Pmodeller6_TS4 costs 62.493 real_cost = 164.558 Pmodeller6_TS3-scwrl costs 62.891 real_cost = 158.469 Pmodeller6_TS3 costs 62.891 real_cost = 160.448 Pmodeller6_TS2-scwrl costs 66.402 real_cost = 145.383 Pmodeller6_TS2 costs 66.402 real_cost = 144.713 Pmodeller6_TS1-scwrl costs 68.051 real_cost = 160.371 Pmodeller6_TS1 costs 68.051 real_cost = 165.286 Phyre-2_TS5-scwrl costs 83.659 real_cost = 252.524 Phyre-2_TS5 costs 83.659 real_cost = 253.798 Phyre-2_TS4-scwrl costs 77.219 real_cost = 260.826 Phyre-2_TS4 costs 77.219 real_cost = 259.823 Phyre-2_TS3-scwrl costs 78.090 real_cost = 258.811 Phyre-2_TS3 costs 78.090 real_cost = 259.979 Phyre-2_TS2-scwrl costs 74.797 real_cost = 256.410 Phyre-2_TS2 costs 74.797 real_cost = 254.672 Phyre-2_TS1-scwrl costs 82.740 real_cost = 257.958 Phyre-2_TS1 costs 82.740 real_cost = 253.916 Phyre-1_TS1-scwrl costs 73.580 real_cost = 438.264 Phyre-1_TS1 costs 73.587 real_cost = 435.483 Pcons6_TS5-scwrl costs 69.497 real_cost = 385.660 Pcons6_TS5 costs 69.466 real_cost = 383.618 Pcons6_TS4-scwrl costs 58.506 real_cost = 226.178 Pcons6_TS4 costs 58.495 real_cost = 223.806 Pcons6_TS3-scwrl costs 63.274 real_cost = 221.113 Pcons6_TS3 costs 63.279 real_cost = 219.497 Pcons6_TS2-scwrl costs 59.029 real_cost = 224.999 Pcons6_TS2 costs 58.993 real_cost = 222.838 Pcons6_TS1-scwrl costs 53.841 real_cost = 147.124 Pcons6_TS1 costs 53.841 real_cost = 147.151 PROTINFO_TS5-scwrl costs 71.193 real_cost = 251.419 PROTINFO_TS5 costs 71.193 real_cost = 253.508 PROTINFO_TS4-scwrl costs 73.219 real_cost = 274.950 PROTINFO_TS4 costs 73.219 real_cost = 276.570 PROTINFO_TS3-scwrl costs 71.193 real_cost = 251.419 PROTINFO_TS3 costs 71.193 real_cost = 253.508 PROTINFO_TS2-scwrl costs 121.923 real_cost = 315.027 PROTINFO_TS2 costs 121.923 real_cost = 319.037 PROTINFO_TS1-scwrl costs 71.258 real_cost = 259.372 PROTINFO_TS1 costs 71.258 real_cost = 259.497 PROTINFO-AB_TS5-scwrl costs 71.823 real_cost = 277.200 PROTINFO-AB_TS5 costs 71.823 real_cost = 278.003 PROTINFO-AB_TS4-scwrl costs 68.714 real_cost = 271.811 PROTINFO-AB_TS4 costs 68.714 real_cost = 271.458 PROTINFO-AB_TS3-scwrl costs 73.522 real_cost = 279.280 PROTINFO-AB_TS3 costs 73.522 real_cost = 284.408 PROTINFO-AB_TS2-scwrl costs 71.984 real_cost = 266.219 PROTINFO-AB_TS2 costs 71.984 real_cost = 273.961 PROTINFO-AB_TS1-scwrl costs 67.586 real_cost = 265.207 PROTINFO-AB_TS1 costs 67.586 real_cost = 265.782 POMYSL_TS5-scwrl costs 136.201 real_cost = 335.680 POMYSL_TS5 costs 136.201 real_cost = 344.431 POMYSL_TS4-scwrl costs 137.978 real_cost = 272.790 POMYSL_TS4 costs 137.978 real_cost = 283.914 POMYSL_TS3-scwrl costs 117.345 real_cost = 315.552 POMYSL_TS3 costs 117.345 real_cost = 319.531 POMYSL_TS2-scwrl costs 137.957 real_cost = 324.198 POMYSL_TS2 costs 137.957 real_cost = 322.694 POMYSL_TS1-scwrl costs 138.788 real_cost = 331.844 POMYSL_TS1 costs 138.788 real_cost = 336.600 NN_PUT_lab_TS1-scwrl costs 67.679 real_cost = 264.583 NN_PUT_lab_TS1 costs 67.679 real_cost = 267.933 MetaTasser_TS5-scwrl costs 98.195 real_cost = 239.126 MetaTasser_TS5 costs 98.195 real_cost = 240.524 MetaTasser_TS4-scwrl costs 91.183 real_cost = 177.859 MetaTasser_TS4 costs 91.183 real_cost = 177.256 MetaTasser_TS3-scwrl costs 91.933 real_cost = 215.946 MetaTasser_TS3 costs 91.933 real_cost = 220.769 MetaTasser_TS2-scwrl costs 95.538 real_cost = 230.055 MetaTasser_TS2 costs 95.538 real_cost = 235.522 MetaTasser_TS1-scwrl costs 82.724 real_cost = 155.263 MetaTasser_TS1 costs 82.724 real_cost = 164.682 Ma-OPUS-server_TS5-scwrl costs 75.382 real_cost = 248.605 Ma-OPUS-server_TS5 costs 75.382 real_cost = 247.602 Ma-OPUS-server_TS4-scwrl costs 81.998 real_cost = 277.420 Ma-OPUS-server_TS4 costs 81.998 real_cost = 277.387 Ma-OPUS-server_TS3-scwrl costs 67.289 real_cost = 245.839 Ma-OPUS-server_TS3 costs 67.289 real_cost = 248.540 Ma-OPUS-server_TS2-scwrl costs 86.159 real_cost = 276.516 Ma-OPUS-server_TS2 costs 86.159 real_cost = 274.533 Ma-OPUS-server_TS1-scwrl costs 90.799 real_cost = 245.581 Ma-OPUS-server_TS1 costs 90.799 real_cost = 247.884 Ma-OPUS-server2_TS5-scwrl costs 100.098 real_cost = 270.734 Ma-OPUS-server2_TS5 costs 100.098 real_cost = 274.429 Ma-OPUS-server2_TS4-scwrl costs 85.890 real_cost = 279.299 Ma-OPUS-server2_TS4 costs 85.890 real_cost = 283.123 Ma-OPUS-server2_TS3-scwrl costs 86.294 real_cost = 285.583 Ma-OPUS-server2_TS3 costs 86.294 real_cost = 285.942 Ma-OPUS-server2_TS2-scwrl costs 67.460 real_cost = 256.836 Ma-OPUS-server2_TS2 costs 67.460 real_cost = 253.118 Ma-OPUS-server2_TS1-scwrl costs 86.295 real_cost = 268.168 Ma-OPUS-server2_TS1 costs 86.295 real_cost = 272.819 LOOPP_TS5-scwrl costs 76.406 real_cost = 348.841 LOOPP_TS5 costs 76.487 real_cost = 347.804 LOOPP_TS4-scwrl costs 78.378 real_cost = 331.271 LOOPP_TS4 costs 78.364 real_cost = 334.319 LOOPP_TS3-scwrl costs 80.620 real_cost = 273.410 LOOPP_TS3 costs 80.640 real_cost = 274.674 LOOPP_TS2-scwrl costs 74.088 real_cost = 309.122 LOOPP_TS2 costs 74.104 real_cost = 315.653 LOOPP_TS1-scwrl costs 84.447 real_cost = 367.849 LOOPP_TS1 costs 84.409 real_cost = 372.259 Huber-Torda-Server_TS5-scwrl costs 102.576 real_cost = 438.561 Huber-Torda-Server_TS5 costs 102.527 real_cost = 480.630 Huber-Torda-Server_TS4-scwrl costs 82.700 real_cost = 373.701 Huber-Torda-Server_TS4 costs 82.600 real_cost = 434.442 Huber-Torda-Server_TS3-scwrl costs 121.515 real_cost = 418.355 Huber-Torda-Server_TS3 costs 121.429 real_cost = 469.604 Huber-Torda-Server_TS2-scwrl costs 103.451 real_cost = 350.931 Huber-Torda-Server_TS2 costs 103.673 real_cost = 434.108 Huber-Torda-Server_TS1-scwrl costs 109.210 real_cost = 398.877 Huber-Torda-Server_TS1 costs 109.256 real_cost = 467.374 HHpred3_TS1-scwrl costs 74.893 real_cost = 142.269 HHpred3_TS1 costs 74.893 real_cost = 150.627 HHpred2_TS1-scwrl costs 74.471 real_cost = 146.007 HHpred2_TS1 costs 74.471 real_cost = 145.521 HHpred1_TS1-scwrl costs 60.114 real_cost = 251.474 HHpred1_TS1 costs 60.122 real_cost = 248.280 GeneSilicoMetaServer_TS5-scwrl costs 66.109 real_cost = 370.490 GeneSilicoMetaServer_TS5 costs 66.100 real_cost = 375.196 GeneSilicoMetaServer_TS4-scwrl costs 80.876 real_cost = 259.018 GeneSilicoMetaServer_TS4 costs 80.876 real_cost = 258.244 GeneSilicoMetaServer_TS3-scwrl costs 83.740 real_cost = 258.693 GeneSilicoMetaServer_TS3 costs 83.740 real_cost = 255.815 GeneSilicoMetaServer_TS2-scwrl costs 89.660 real_cost = 270.113 GeneSilicoMetaServer_TS2 costs 89.660 real_cost = 278.334 GeneSilicoMetaServer_TS1-scwrl costs 81.276 real_cost = 258.428 GeneSilicoMetaServer_TS1 costs 81.276 real_cost = 260.061 FUNCTION_TS5-scwrl costs 125.640 real_cost = 312.983 FUNCTION_TS5 costs 125.654 real_cost = 311.274 FUNCTION_TS4-scwrl costs 101.407 real_cost = 282.169 FUNCTION_TS4 costs 101.407 real_cost = 283.581 FUNCTION_TS3-scwrl costs 77.229 real_cost = 296.508 FUNCTION_TS3 costs 77.235 real_cost = 300.402 FUNCTION_TS2-scwrl costs 113.306 real_cost = 225.270 FUNCTION_TS2 costs 113.306 real_cost = 230.721 FUNCTION_TS1-scwrl costs 79.876 real_cost = 264.124 FUNCTION_TS1 costs 79.872 real_cost = 267.278 FUGUE_AL5-scwrl costs 103.069 real_cost = 584.620 FUGUE_AL5 costs 103.180 real_cost = 630.059 FUGUE_AL4-scwrl costs 99.498 real_cost = 515.213 FUGUE_AL4 costs 99.501 real_cost = 578.907 FUGUE_AL3-scwrl costs 109.218 real_cost = 328.781 FUGUE_AL3 costs 109.218 real_cost = 492.184 FUGUE_AL1-scwrl costs 110.713 real_cost = 501.610 FUGUE_AL1 costs 110.769 real_cost = 561.212 FUGMOD_TS5-scwrl costs 98.740 real_cost = 570.306 FUGMOD_TS5 costs 98.655 real_cost = 581.207 FUGMOD_TS4-scwrl costs 96.468 real_cost = 491.387 FUGMOD_TS4 costs 96.459 real_cost = 489.126 FUGMOD_TS3-scwrl costs 100.249 real_cost = 313.170 FUGMOD_TS3 costs 100.249 real_cost = 311.356 FUGMOD_TS2-scwrl costs 95.899 real_cost = 300.572 FUGMOD_TS2 costs 95.899 real_cost = 301.955 FUGMOD_TS1-scwrl costs 102.147 real_cost = 498.910 FUGMOD_TS1 costs 102.149 real_cost = 495.981 FPSOLVER-SERVER_TS5-scwrl costs 140.366 real_cost = 349.934 FPSOLVER-SERVER_TS5 costs 140.366 real_cost = 351.908 FPSOLVER-SERVER_TS4-scwrl costs 137.794 real_cost = 352.426 FPSOLVER-SERVER_TS4 costs 137.794 real_cost = 355.838 FPSOLVER-SERVER_TS3-scwrl costs 136.564 real_cost = 343.090 FPSOLVER-SERVER_TS3 costs 136.564 real_cost = 345.177 FPSOLVER-SERVER_TS2-scwrl costs 145.376 real_cost = 356.002 FPSOLVER-SERVER_TS2 costs 145.376 real_cost = 356.099 FPSOLVER-SERVER_TS1-scwrl costs 143.486 real_cost = 348.411 FPSOLVER-SERVER_TS1 costs 143.486 real_cost = 349.291 FORTE2_AL5-scwrl costs 93.862 real_cost = 335.857 FORTE2_AL5 costs 93.872 real_cost = 471.479 FORTE2_AL4-scwrl costs 101.844 real_cost = 476.120 FORTE2_AL4 costs 101.844 real_cost = 473.269 FORTE2_AL3-scwrl costs 120.639 real_cost = 393.862 FORTE2_AL3 costs 120.702 real_cost = 527.829 FORTE2_AL2-scwrl costs 134.615 real_cost = 397.492 FORTE2_AL2 costs 134.726 real_cost = 508.305 FORTE2_AL1-scwrl costs 76.110 real_cost = 340.358 FORTE2_AL1 costs 76.141 real_cost = 457.257 FORTE1_AL5-scwrl costs 101.844 real_cost = 476.120 FORTE1_AL5 costs 101.844 real_cost = 473.269 FORTE1_AL4-scwrl costs 120.639 real_cost = 393.862 FORTE1_AL4 costs 120.702 real_cost = 527.829 FORTE1_AL3-scwrl costs 120.126 real_cost = 350.934 FORTE1_AL3 costs 120.176 real_cost = 505.643 FORTE1_AL2-scwrl costs 134.469 real_cost = 406.573 FORTE1_AL2 costs 134.527 real_cost = 508.835 FORTE1_AL1-scwrl costs 76.110 real_cost = 340.358 FORTE1_AL1 costs 76.141 real_cost = 457.257 FOLDpro_TS5-scwrl costs 90.534 real_cost = 290.875 FOLDpro_TS5 costs 90.534 real_cost = 292.822 FOLDpro_TS4-scwrl costs 99.420 real_cost = 281.836 FOLDpro_TS4 costs 99.420 real_cost = 282.206 FOLDpro_TS3-scwrl costs 94.895 real_cost = 317.647 FOLDpro_TS3 costs 94.895 real_cost = 312.902 FOLDpro_TS2-scwrl costs 71.459 real_cost = 265.248 FOLDpro_TS2 costs 71.459 real_cost = 261.620 FOLDpro_TS1-scwrl costs 109.364 real_cost = 291.177 FOLDpro_TS1 costs 109.364 real_cost = 294.295 FAMS_TS5-scwrl costs 77.229 real_cost = 296.508 FAMS_TS5 costs 77.235 real_cost = 300.402 FAMS_TS4-scwrl costs 79.504 real_cost = 285.355 FAMS_TS4 costs 79.471 real_cost = 293.436 FAMS_TS3-scwrl costs 79.504 real_cost = 285.355 FAMS_TS3 costs 79.471 real_cost = 293.436 FAMS_TS2-scwrl costs 78.414 real_cost = 291.630 FAMS_TS2 costs 78.420 real_cost = 295.993 FAMS_TS1-scwrl costs 71.801 real_cost = 157.709 FAMS_TS1 costs 71.801 real_cost = 163.354 FAMSD_TS5-scwrl costs 95.815 real_cost = 492.284 FAMSD_TS5 costs 95.841 real_cost = 493.692 FAMSD_TS4-scwrl costs 79.102 real_cost = 299.320 FAMSD_TS4 costs 79.108 real_cost = 302.378 FAMSD_TS3-scwrl costs 76.265 real_cost = 265.034 FAMSD_TS3 costs 76.261 real_cost = 260.803 FAMSD_TS2-scwrl costs 79.504 real_cost = 285.355 FAMSD_TS2 costs 79.471 real_cost = 293.436 FAMSD_TS1-scwrl costs 92.240 real_cost = 315.945 FAMSD_TS1 costs 92.250 real_cost = 311.847 Distill_TS5-scwrl costs 232.828 real_cost = 546.271 Distill_TS4-scwrl costs 235.153 real_cost = 544.124 Distill_TS3-scwrl costs 238.221 real_cost = 542.443 Distill_TS2-scwrl costs 233.621 real_cost = 542.026 Distill_TS1-scwrl costs 237.470 real_cost = 546.606 CaspIta-FOX_TS5-scwrl costs 82.166 real_cost = 348.304 CaspIta-FOX_TS5 costs 82.188 real_cost = 332.684 CaspIta-FOX_TS4-scwrl costs 94.877 real_cost = 281.287 CaspIta-FOX_TS4 costs 94.875 real_cost = 282.024 CaspIta-FOX_TS3-scwrl costs 84.915 real_cost = 329.162 CaspIta-FOX_TS3 costs 84.880 real_cost = 323.187 CaspIta-FOX_TS2-scwrl costs 89.539 real_cost = 390.603 CaspIta-FOX_TS2 costs 89.568 real_cost = 384.165 CaspIta-FOX_TS1-scwrl costs 94.687 real_cost = 340.893 CaspIta-FOX_TS1 costs 94.706 real_cost = 337.178 CIRCLE_TS5-scwrl costs 79.504 real_cost = 285.355 CIRCLE_TS5 costs 79.471 real_cost = 293.436 CIRCLE_TS4-scwrl costs 78.414 real_cost = 291.630 CIRCLE_TS4 costs 78.420 real_cost = 295.993 CIRCLE_TS3-scwrl costs 83.996 real_cost = 455.620 CIRCLE_TS3 costs 84.014 real_cost = 461.004 CIRCLE_TS2-scwrl costs 78.927 real_cost = 264.182 CIRCLE_TS2 costs 78.927 real_cost = 265.262 CIRCLE_TS1-scwrl costs 71.801 real_cost = 157.709 CIRCLE_TS1 costs 71.801 real_cost = 163.354 Bilab-ENABLE_TS5-scwrl costs 56.231 real_cost = 270.940 Bilab-ENABLE_TS5 costs 56.231 real_cost = 272.375 Bilab-ENABLE_TS4-scwrl costs 115.691 real_cost = 375.188 Bilab-ENABLE_TS4 costs 115.691 real_cost = 375.188 Bilab-ENABLE_TS3-scwrl costs 121.212 real_cost = 392.133 Bilab-ENABLE_TS3 costs 121.212 real_cost = 392.133 Bilab-ENABLE_TS2-scwrl costs 117.582 real_cost = 387.427 Bilab-ENABLE_TS2 costs 117.582 real_cost = 387.427 Bilab-ENABLE_TS1-scwrl costs 123.215 real_cost = 383.993 Bilab-ENABLE_TS1 costs 123.215 real_cost = 383.995 BayesHH_TS1-scwrl costs 81.670 real_cost = 142.377 BayesHH_TS1 costs 81.670 real_cost = 143.801 ABIpro_TS5-scwrl costs 64.464 real_cost = 238.422 ABIpro_TS5 costs 64.464 real_cost = 240.012 ABIpro_TS4-scwrl costs 62.630 real_cost = 225.075 ABIpro_TS4 costs 62.630 real_cost = 225.072 ABIpro_TS3-scwrl costs 61.017 real_cost = 245.212 ABIpro_TS3 costs 61.017 real_cost = 245.626 ABIpro_TS2-scwrl costs 67.194 real_cost = 244.801 ABIpro_TS2 costs 67.194 real_cost = 244.816 ABIpro_TS1-scwrl costs 70.257 real_cost = 237.056 ABIpro_TS1 costs 70.257 real_cost = 236.747 3Dpro_TS5-scwrl costs 84.203 real_cost = 288.941 3Dpro_TS5 costs 84.203 real_cost = 284.713 3Dpro_TS4-scwrl costs 127.353 real_cost = 345.918 3Dpro_TS4 costs 127.353 real_cost = 344.873 3Dpro_TS3-scwrl costs 67.194 real_cost = 244.801 3Dpro_TS3 costs 67.194 real_cost = 244.816 3Dpro_TS2-scwrl costs 98.847 real_cost = 291.269 3Dpro_TS2 costs 98.847 real_cost = 290.776 3Dpro_TS1-scwrl costs 70.257 real_cost = 237.056 3Dpro_TS1 costs 70.257 real_cost = 236.747 3D-JIGSAW_TS4-scwrl costs 95.747 real_cost = 281.498 3D-JIGSAW_TS4 costs 95.747 real_cost = 288.641 3D-JIGSAW_TS3-scwrl costs 92.712 real_cost = 261.556 3D-JIGSAW_TS3 costs 92.701 real_cost = 262.924 3D-JIGSAW_TS2-scwrl costs 100.582 real_cost = 402.946 3D-JIGSAW_TS2 costs 100.535 real_cost = 395.658 3D-JIGSAW_TS1-scwrl costs 100.636 real_cost = 349.246 3D-JIGSAW_TS1 costs 100.593 real_cost = 341.189 3D-JIGSAW_RECOM_TS5-scwrl costs 89.739 real_cost = 337.508 3D-JIGSAW_RECOM_TS5 costs 89.746 real_cost = 332.145 3D-JIGSAW_RECOM_TS4-scwrl costs 100.770 real_cost = 314.457 3D-JIGSAW_RECOM_TS4 costs 100.766 real_cost = 319.873 3D-JIGSAW_RECOM_TS3-scwrl costs 89.388 real_cost = 329.098 3D-JIGSAW_RECOM_TS3 costs 89.394 real_cost = 324.525 3D-JIGSAW_RECOM_TS2-scwrl costs 89.494 real_cost = 329.197 3D-JIGSAW_RECOM_TS2 costs 89.501 real_cost = 323.281 3D-JIGSAW_RECOM_TS1-scwrl costs 90.378 real_cost = 311.134 3D-JIGSAW_RECOM_TS1 costs 90.391 real_cost = 305.038 3D-JIGSAW_POPULUS_TS5-scwrl costs 80.115 real_cost = 267.542 3D-JIGSAW_POPULUS_TS5 costs 80.109 real_cost = 262.900 3D-JIGSAW_POPULUS_TS4-scwrl costs 79.686 real_cost = 279.791 3D-JIGSAW_POPULUS_TS4 costs 79.708 real_cost = 274.816 3D-JIGSAW_POPULUS_TS3-scwrl costs 79.958 real_cost = 264.301 3D-JIGSAW_POPULUS_TS3 costs 79.967 real_cost = 263.385 3D-JIGSAW_POPULUS_TS2-scwrl costs 76.840 real_cost = 290.536 3D-JIGSAW_POPULUS_TS2 costs 76.848 real_cost = 289.652 3D-JIGSAW_POPULUS_TS1-scwrl costs 77.466 real_cost = 293.038 3D-JIGSAW_POPULUS_TS1 costs 77.474 real_cost = 291.632 chimera-1-2.pdb.gz costs 61.946 real_cost = 208.548 T0347.try9-opt2.repack-nonPC.pdb.gz costs 82.515 real_cost = 174.897 T0347.try9-opt2.pdb.gz costs 82.515 real_cost = 174.913 T0347.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.313 real_cost = 173.142 T0347.try9-opt2.gromacs0.pdb.gz costs 54.313 real_cost = 175.748 T0347.try9-opt1.pdb.gz costs 74.968 real_cost = 169.696 T0347.try9-opt1-scwrl.pdb.gz costs 74.968 real_cost = 170.167 T0347.try8-opt2.pdb.gz costs 77.575 real_cost = 186.749 T0347.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.313 real_cost = 173.454 T0347.try8-opt2.gromacs0.pdb.gz costs 53.294 real_cost = 188.579 T0347.try8-opt1.pdb.gz costs 63.908 real_cost = 190.615 T0347.try8-opt1-scwrl.pdb.gz costs 63.908 real_cost = 189.000 T0347.try7-opt2.repack-nonPC.pdb.gz costs 65.636 real_cost = 163.160 T0347.try7-opt2.pdb.gz costs 65.636 real_cost = 164.000 T0347.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 53.559 real_cost = 164.774 T0347.try7-opt2.gromacs0.pdb.gz costs 53.559 real_cost = 165.236 T0347.try7-opt1.pdb.gz costs 65.375 real_cost = 166.713 T0347.try7-opt1-scwrl.pdb.gz costs 65.375 real_cost = 166.816 T0347.try6-opt2.repack-nonPC.pdb.gz costs 61.198 real_cost = 190.645 T0347.try6-opt2.pdb.gz costs 61.198 real_cost = 191.009 T0347.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 55.073 real_cost = 192.535 T0347.try6-opt2.gromacs0.pdb.gz costs 55.073 real_cost = 193.218 T0347.try6-opt1.pdb.gz costs 61.862 real_cost = 191.003 T0347.try6-opt1-scwrl.pdb.gz costs 61.862 real_cost = 187.025 T0347.try5-opt2.repack-nonPC.pdb.gz costs 71.728 real_cost = 168.497 T0347.try5-opt2.pdb.gz costs 71.728 real_cost = 167.740 T0347.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.318 real_cost = 168.624 T0347.try5-opt2.gromacs0.pdb.gz costs 56.318 real_cost = 168.521 T0347.try5-opt1.pdb.gz costs 70.569 real_cost = 168.224 T0347.try5-opt1-scwrl.pdb.gz costs 70.569 real_cost = 167.193 T0347.try4-opt2.repack-nonPC.pdb.gz costs 71.976 real_cost = 189.978 T0347.try4-opt2.pdb.gz costs 71.976 real_cost = 190.763 T0347.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 56.416 real_cost = 192.365 T0347.try4-opt2.gromacs0.pdb.gz costs 56.416 real_cost = 193.837 T0347.try4-opt1.pdb.gz costs 70.753 real_cost = 190.775 T0347.try4-opt1-scwrl.pdb.gz costs 70.753 real_cost = 187.832 T0347.try3-opt2.repack-nonPC.pdb.gz costs 68.294 real_cost = 186.611 T0347.try3-opt2.pdb.gz costs 68.294 real_cost = 182.976 T0347.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 51.276 real_cost = 182.409 T0347.try3-opt2.gromacs0.pdb.gz costs 51.276 real_cost = 180.929 T0347.try3-opt1.pdb.gz costs 64.801 real_cost = 182.704 T0347.try3-opt1-scwrl.pdb.gz costs 64.801 real_cost = 180.256 T0347.try2-opt2.repack-nonPC.pdb.gz costs 62.922 real_cost = 194.523 T0347.try2-opt2.pdb.gz costs 62.922 real_cost = 194.531 T0347.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 50.093 real_cost = 194.112 T0347.try2-opt2.gromacs0.pdb.gz costs 50.093 real_cost = 195.068 T0347.try2-opt1.pdb.gz costs 62.973 real_cost = 197.804 T0347.try2-opt1-scwrl.pdb.gz costs 62.973 real_cost = 191.306 T0347.try10-opt2.repack-nonPC.pdb.gz costs 75.366 real_cost = 187.722 T0347.try10-opt2.pdb.gz costs 75.366 real_cost = 187.455 T0347.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 54.920 real_cost = 188.326 T0347.try10-opt2.gromacs0.pdb.gz costs 54.920 real_cost = 189.312 T0347.try10-opt1.pdb.gz costs 76.851 real_cost = 187.089 T0347.try10-opt1-scwrl.pdb.gz costs 76.851 real_cost = 184.642 T0347.try1-opt2.repack-nonPC.pdb.gz costs 77.098 real_cost = 197.930 T0347.try1-opt2.pdb.gz costs 77.098 real_cost = 198.323 T0347.try1-opt2.gromacs0.pdb.gz costs 61.475 real_cost = 199.375 T0347.try1-opt1.pdb.gz costs 70.549 real_cost = 193.465 T0347.try1-opt1-scwrl.pdb.gz costs 70.549 real_cost = 193.053 T0347.chimera4_renum.pdb.gz costs 73.423 real_cost = 222.877 T0347.chimera4.pdb.gz costs 73.423 real_cost = 222.877 T0347.chimera3_renum.pdb.gz costs 73.457 real_cost = 196.280 T0347.chimera3.pdb.gz costs 73.457 real_cost = 196.280 T0347.chimera2-renum.pdb.gz costs 62.476 real_cost = 190.200 T0347.chimera-renum.pdb.gz costs 62.792 real_cost = 196.954 ../model5.ts-submitted costs 50.093 real_cost = 194.274 ../model4.ts-submitted costs 68.104 real_cost = 182.983 ../model3.ts-submitted costs 70.847 real_cost = 167.764 ../model2.ts-submitted costs 77.410 real_cost = 186.634 ../model1.ts-submitted costs 75.366 real_cost = 187.445 align5 costs 93.493 real_cost = 524.394 align4 costs 68.500 real_cost = 315.333 align3 costs 66.128 real_cost = 301.339 align2 costs 89.743 real_cost = 471.315 align1 costs 79.291 real_cost = 341.432 T0347.try1-opt2.pdb costs 77.098 real_cost = 198.323 model5-scwrl costs 50.093 real_cost = 190.797 model5.ts-submitted costs 50.093 real_cost = 194.274 model4-scwrl costs 68.104 real_cost = 181.546 model4.ts-submitted costs 68.104 real_cost = 182.983 model3-scwrl costs 70.847 real_cost = 168.538 model3.ts-submitted costs 70.847 real_cost = 167.764 model2-scwrl costs 77.410 real_cost = 183.120 model2.ts-submitted costs 77.410 real_cost = 186.634 model1-scwrl costs 74.067 real_cost = 184.152 model1.ts-submitted costs 75.366 real_cost = 187.314 2hwjA costs 45.021 real_cost = -877.400 # command:CPU_time= 1244.249 sec, elapsed time= 4764.442 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/T0347'