make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0345' /projects/compbio/experiments/protein-predict/casp7/starter-directory/Make.main:725: SECONDARY_TARGET = T0345.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/T0345.} ;\ 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/T0345/ -e s/START_COL/1/ \ -e s/COSTFCN/anglevector/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2he3A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1183288776 # 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= 5.632 sec, elapsed time= 5.675 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= 5.698 sec, elapsed time= 5.758 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0345 numbered 1 through 185 Created new target T0345 from T0345.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:2he3A expands to /projects/compbio/data/pdb/2he3.pdb.gz 2he3A:Skipped atom 207, because occupancy 0.5 <= existing 0.500 in 2he3A Skipped atom 211, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 213, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 215, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 217, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 219, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 221, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 223, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 1154, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 1158, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 1160, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 1162, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 1164, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 1166, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 1168, because occupancy 0.500 <= existing 0.500 in 2he3A Skipped atom 1170, because occupancy 0.500 <= existing 0.500 in 2he3A Read 185 residues and 1504 atoms. # choosing archetypes in rotamer library # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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= 10.065 sec, elapsed time= 10.443 sec. # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # command:Warning: Couldn't open file decoys/model1.gdt for output # fraction of real conformation used = 1.000 # GDT_score = -93.649 # GDT_score(maxd=8.000,maxw=2.900)= -96.473 # GDT_score(maxd=8.000,maxw=3.200)= -94.811 # GDT_score(maxd=8.000,maxw=3.500)= -92.513 # GDT_score(maxd=10.000,maxw=3.800)= -93.319 # GDT_score(maxd=10.000,maxw=4.000)= -91.583 # GDT_score(maxd=10.000,maxw=4.200)= -89.636 # GDT_score(maxd=12.000,maxw=4.300)= -91.773 # GDT_score(maxd=12.000,maxw=4.500)= -89.886 # GDT_score(maxd=12.000,maxw=4.700)= -87.846 # GDT_score(maxd=14.000,maxw=5.200)= -85.530 # GDT_score(maxd=14.000,maxw=5.500)= -82.345 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0345.model1-real.pdb for output Error: Couldn't open file T0345.model1-real.pdb for output superimposing iter= 0 total_weight= 2244.000 rmsd (weighted)= 1.776 (unweighted)= 4.302 superimposing iter= 1 total_weight= 8002.091 rmsd (weighted)= 0.689 (unweighted)= 4.300 superimposing iter= 2 total_weight= 2952.449 rmsd (weighted)= 0.483 (unweighted)= 4.300 superimposing iter= 3 total_weight= 1841.155 rmsd (weighted)= 0.433 (unweighted)= 4.300 superimposing iter= 4 total_weight= 1613.052 rmsd (weighted)= 0.416 (unweighted)= 4.300 superimposing iter= 5 total_weight= 1542.953 rmsd (weighted)= 0.408 (unweighted)= 4.300 EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET 1 17.059 26.990 56.338 1.00 0.00 ATOM 2 CA MET 1 16.121 28.110 56.187 1.00 0.00 ATOM 3 CB MET 1 16.598 29.051 55.076 1.00 0.00 ATOM 4 CG MET 1 17.971 29.641 55.397 1.00 0.00 ATOM 5 SD MET 1 18.080 30.578 56.954 1.00 0.00 ATOM 6 CE MET 1 16.996 31.870 56.462 1.00 0.00 ATOM 7 O MET 1 14.896 26.435 55.114 1.00 0.00 ATOM 8 C MET 1 14.803 27.463 55.787 1.00 0.00 ATOM 9 N ILE 2 13.689 27.976 56.282 1.00 0.00 ATOM 10 CA ILE 2 12.373 27.372 55.950 1.00 0.00 ATOM 11 CB ILE 2 11.224 28.078 56.694 1.00 0.00 ATOM 12 CG1 ILE 2 11.321 27.814 58.199 1.00 0.00 ATOM 13 CG2 ILE 2 9.879 27.617 56.155 1.00 0.00 ATOM 14 CD1 ILE 2 10.402 28.678 59.031 1.00 0.00 ATOM 15 O ILE 2 11.654 26.486 53.813 1.00 0.00 ATOM 16 C ILE 2 12.103 27.427 54.441 1.00 0.00 ATOM 17 N ALA 3 12.378 28.602 53.902 1.00 0.00 ATOM 18 CA ALA 3 12.135 28.878 52.490 1.00 0.00 ATOM 19 CB ALA 3 11.593 30.299 52.370 1.00 0.00 ATOM 20 O ALA 3 14.497 29.186 52.054 1.00 0.00 ATOM 21 C ALA 3 13.423 28.694 51.692 1.00 0.00 ATOM 22 N LYS 4 13.303 27.742 50.808 1.00 0.00 ATOM 23 CA LYS 4 14.328 27.536 49.791 1.00 0.00 ATOM 24 CB LYS 4 14.857 26.102 49.846 1.00 0.00 ATOM 25 CG LYS 4 15.461 25.706 51.186 1.00 0.00 ATOM 26 CD LYS 4 16.734 26.489 51.474 1.00 0.00 ATOM 27 CE LYS 4 17.408 26.006 52.748 1.00 0.00 ATOM 28 NZ LYS 4 18.602 26.823 53.092 1.00 0.00 ATOM 29 O LYS 4 12.496 27.856 48.264 1.00 0.00 ATOM 30 C LYS 4 13.717 27.863 48.422 1.00 0.00 ATOM 31 N SER 5 14.584 28.193 47.475 1.00 0.00 ATOM 32 CA SER 5 14.112 28.642 46.158 1.00 0.00 ATOM 33 CB SER 5 15.073 29.665 45.576 1.00 0.00 ATOM 34 OG SER 5 15.115 30.835 46.399 1.00 0.00 ATOM 35 O SER 5 14.626 26.489 45.195 1.00 0.00 ATOM 36 C SER 5 13.902 27.481 45.191 1.00 0.00 ATOM 37 N PHE 6 12.866 27.614 44.366 1.00 0.00 ATOM 38 CA PHE 6 12.571 26.608 43.324 1.00 0.00 ATOM 39 CB PHE 6 11.313 27.017 42.544 1.00 0.00 ATOM 40 CG PHE 6 11.083 26.161 41.295 1.00 0.00 ATOM 41 CD1 PHE 6 10.771 24.812 41.417 1.00 0.00 ATOM 42 CD2 PHE 6 11.204 26.733 40.034 1.00 0.00 ATOM 43 CE1 PHE 6 10.545 24.049 40.287 1.00 0.00 ATOM 44 CE2 PHE 6 10.980 25.970 38.904 1.00 0.00 ATOM 45 CZ PHE 6 10.643 24.637 39.031 1.00 0.00 ATOM 46 O PHE 6 14.107 25.268 42.047 1.00 0.00 ATOM 47 C PHE 6 13.748 26.401 42.360 1.00 0.00 ATOM 48 N TYR 7 14.358 27.510 41.981 1.00 0.00 ATOM 49 CA TYR 7 15.536 27.471 41.093 1.00 0.00 ATOM 50 CB TYR 7 15.974 28.846 40.584 1.00 0.00 ATOM 51 CG TYR 7 16.611 29.718 41.658 1.00 0.00 ATOM 52 CD1 TYR 7 17.951 29.616 42.014 1.00 0.00 ATOM 53 CD2 TYR 7 15.806 30.648 42.274 1.00 0.00 ATOM 54 CE1 TYR 7 18.491 30.444 42.999 1.00 0.00 ATOM 55 CE2 TYR 7 16.346 31.438 43.261 1.00 0.00 ATOM 56 CZ TYR 7 17.686 31.362 43.637 1.00 0.00 ATOM 57 OH TYR 7 18.157 32.202 44.598 1.00 0.00 ATOM 58 O TYR 7 17.566 26.282 40.991 1.00 0.00 ATOM 59 C TYR 7 16.721 26.737 41.736 1.00 0.00 ATOM 60 N ASP 8 16.765 26.652 43.064 1.00 0.00 ATOM 61 CA ASP 8 17.818 25.932 43.817 1.00 0.00 ATOM 62 CB ASP 8 17.670 26.182 45.320 1.00 0.00 ATOM 63 CG ASP 8 18.069 27.582 45.767 1.00 0.00 ATOM 64 OD1 ASP 8 18.659 28.289 44.984 1.00 0.00 ATOM 65 OD2 ASP 8 17.646 27.991 46.821 1.00 0.00 ATOM 66 O ASP 8 18.780 23.717 43.978 1.00 0.00 ATOM 67 C ASP 8 17.844 24.419 43.584 1.00 0.00 ATOM 68 N LEU 9 16.806 23.944 42.915 1.00 0.00 ATOM 69 CA LEU 9 16.492 22.525 42.828 1.00 0.00 ATOM 70 CB LEU 9 15.075 22.401 43.359 1.00 0.00 ATOM 71 CG LEU 9 14.938 22.831 44.825 1.00 0.00 ATOM 72 CD1 LEU 9 13.488 23.067 45.236 1.00 0.00 ATOM 73 CD2 LEU 9 15.558 21.776 45.751 1.00 0.00 ATOM 74 O LEU 9 16.423 22.661 40.405 1.00 0.00 ATOM 75 C LEU 9 16.595 21.980 41.414 1.00 0.00 ATOM 76 N SER 10 16.871 20.692 41.376 1.00 0.00 ATOM 77 CA SER 10 16.964 19.930 40.122 1.00 0.00 ATOM 78 CB SER 10 18.431 19.730 39.695 1.00 0.00 ATOM 79 OG SER 10 19.109 18.956 40.681 1.00 0.00 ATOM 80 O SER 10 16.102 18.088 41.401 1.00 0.00 ATOM 81 C SER 10 16.312 18.562 40.297 1.00 0.00 ATOM 82 N ALA 11 15.841 18.039 39.179 1.00 0.00 ATOM 83 CA ALA 11 15.355 16.661 39.137 1.00 0.00 ATOM 84 CB ALA 11 13.842 16.645 39.230 1.00 0.00 ATOM 85 O ALA 11 16.591 16.690 37.093 1.00 0.00 ATOM 86 C ALA 11 15.865 16.026 37.851 1.00 0.00 ATOM 87 N ILE 12 15.714 14.724 37.728 1.00 0.00 ATOM 88 CA ILE 12 16.097 14.138 36.439 1.00 0.00 ATOM 89 CB ILE 12 17.416 13.348 36.478 1.00 0.00 ATOM 90 CG1 ILE 12 17.627 12.433 37.701 1.00 0.00 ATOM 91 CG2 ILE 12 18.526 14.398 36.439 1.00 0.00 ATOM 92 CD1 ILE 12 19.015 11.797 37.816 1.00 0.00 ATOM 93 O ILE 12 13.912 13.289 36.257 1.00 0.00 ATOM 94 C ILE 12 14.910 13.631 35.643 1.00 0.00 ATOM 95 N ASN 13 14.860 13.984 34.369 1.00 0.00 ATOM 96 CA ASN 13 13.666 13.707 33.529 1.00 0.00 ATOM 97 CB ASN 13 13.634 14.665 32.348 1.00 0.00 ATOM 98 CG ASN 13 14.750 14.364 31.349 1.00 0.00 ATOM 99 ND2 ASN 13 14.899 15.272 30.463 1.00 0.00 ATOM 100 OD1 ASN 13 15.549 13.436 31.431 1.00 0.00 ATOM 101 O ASN 13 14.473 11.446 33.386 1.00 0.00 ATOM 102 C ASN 13 13.605 12.247 33.046 1.00 0.00 ATOM 103 N LEU 14 12.704 11.975 32.109 1.00 0.00 ATOM 104 CA LEU 14 12.566 10.641 31.520 1.00 0.00 ATOM 105 CB LEU 14 11.350 10.611 30.617 1.00 0.00 ATOM 106 CG LEU 14 10.059 10.839 31.384 1.00 0.00 ATOM 107 CD1 LEU 14 8.922 10.827 30.380 1.00 0.00 ATOM 108 CD2 LEU 14 9.868 9.815 32.511 1.00 0.00 ATOM 109 O LEU 14 13.921 8.907 30.597 1.00 0.00 ATOM 110 C LEU 14 13.776 10.111 30.737 1.00 0.00 ATOM 111 N ASP 15 14.659 11.006 30.348 1.00 0.00 ATOM 112 CA ASP 15 15.920 10.631 29.681 1.00 0.00 ATOM 113 CB ASP 15 16.259 11.633 28.572 1.00 0.00 ATOM 114 CG ASP 15 15.243 11.683 27.438 1.00 0.00 ATOM 115 OD1 ASP 15 14.868 10.640 26.957 1.00 0.00 ATOM 116 OD2 ASP 15 14.736 12.744 27.168 1.00 0.00 ATOM 117 O ASP 15 18.246 10.307 30.299 1.00 0.00 ATOM 118 C ASP 15 17.096 10.541 30.677 1.00 0.00 ATOM 119 N GLY 16 16.791 10.693 31.974 1.00 0.00 ATOM 120 CA GLY 16 17.788 10.721 33.062 1.00 0.00 ATOM 121 O GLY 16 19.739 11.955 33.671 1.00 0.00 ATOM 122 C GLY 16 18.706 11.942 33.003 1.00 0.00 ATOM 123 N GLU 17 18.239 12.999 32.339 1.00 0.00 ATOM 124 CA GLU 17 18.987 14.264 32.248 1.00 0.00 ATOM 125 CB GLU 17 18.787 14.908 30.873 1.00 0.00 ATOM 126 CG GLU 17 19.318 14.082 29.710 1.00 0.00 ATOM 127 CD GLU 17 19.108 14.786 28.400 1.00 0.00 ATOM 128 OE1 GLU 17 18.527 15.846 28.401 1.00 0.00 ATOM 129 OE2 GLU 17 19.627 14.326 27.410 1.00 0.00 ATOM 130 O GLU 17 17.403 15.336 33.715 1.00 0.00 ATOM 131 C GLU 17 18.576 15.247 33.340 1.00 0.00 ATOM 132 N LYS 18 19.574 15.991 33.792 1.00 0.00 ATOM 133 CA LYS 18 19.423 17.065 34.790 1.00 0.00 ATOM 134 CB LYS 18 20.780 17.693 35.112 1.00 0.00 ATOM 135 CG LYS 18 20.737 18.764 36.195 1.00 0.00 ATOM 136 CD LYS 18 22.131 19.278 36.519 1.00 0.00 ATOM 137 CE LYS 18 22.084 20.378 37.569 1.00 0.00 ATOM 138 NZ LYS 18 23.445 20.861 37.930 1.00 0.00 ATOM 139 O LYS 18 18.697 18.783 33.258 1.00 0.00 ATOM 140 C LYS 18 18.443 18.120 34.268 1.00 0.00 ATOM 141 N VAL 19 17.447 18.361 35.093 1.00 0.00 ATOM 142 CA VAL 19 16.499 19.466 34.904 1.00 0.00 ATOM 143 CB VAL 19 15.037 19.002 34.830 1.00 0.00 ATOM 144 CG1 VAL 19 14.100 20.181 34.585 1.00 0.00 ATOM 145 CG2 VAL 19 14.827 17.962 33.725 1.00 0.00 ATOM 146 O VAL 19 16.228 20.048 37.203 1.00 0.00 ATOM 147 C VAL 19 16.703 20.361 36.115 1.00 0.00 ATOM 148 N ASP 20 17.676 21.251 35.965 1.00 0.00 ATOM 149 CA ASP 20 17.860 22.341 36.925 1.00 0.00 ATOM 150 CB ASP 20 19.204 23.037 36.696 1.00 0.00 ATOM 151 CG ASP 20 19.529 24.129 37.706 1.00 0.00 ATOM 152 OD1 ASP 20 18.681 24.436 38.511 1.00 0.00 ATOM 153 OD2 ASP 20 20.665 24.534 37.768 1.00 0.00 ATOM 154 O ASP 20 16.435 23.759 35.620 1.00 0.00 ATOM 155 C ASP 20 16.663 23.255 36.714 1.00 0.00 ATOM 156 N PHE 21 15.819 23.294 37.725 1.00 0.00 ATOM 157 CA PHE 21 14.646 24.177 37.646 1.00 0.00 ATOM 158 CB PHE 21 13.682 23.889 38.798 1.00 0.00 ATOM 159 CG PHE 21 13.132 22.490 38.793 1.00 0.00 ATOM 160 CD1 PHE 21 13.368 21.633 39.857 1.00 0.00 ATOM 161 CD2 PHE 21 12.380 22.028 37.724 1.00 0.00 ATOM 162 CE1 PHE 21 12.864 20.346 39.854 1.00 0.00 ATOM 163 CE2 PHE 21 11.873 20.743 37.718 1.00 0.00 ATOM 164 CZ PHE 21 12.116 19.902 38.784 1.00 0.00 ATOM 165 O PHE 21 14.137 26.509 37.306 1.00 0.00 ATOM 166 C PHE 21 14.985 25.678 37.658 1.00 0.00 ATOM 167 N ASN 22 16.287 26.005 37.695 1.00 0.00 ATOM 168 CA ASN 22 16.791 27.365 37.472 1.00 0.00 ATOM 169 CB ASN 22 18.251 27.487 37.862 1.00 0.00 ATOM 170 CG ASN 22 18.765 28.900 37.855 1.00 0.00 ATOM 171 ND2 ASN 22 19.664 29.170 36.942 1.00 0.00 ATOM 172 OD1 ASN 22 18.300 29.755 38.617 1.00 0.00 ATOM 173 O ASN 22 16.349 29.030 35.762 1.00 0.00 ATOM 174 C ASN 22 16.612 27.843 36.014 1.00 0.00 ATOM 175 N THR 23 16.619 26.892 35.086 1.00 0.00 ATOM 176 CA THR 23 16.372 27.150 33.650 1.00 0.00 ATOM 177 CB THR 23 16.538 25.870 32.809 1.00 0.00 ATOM 178 CG2 THR 23 17.949 25.322 32.944 1.00 0.00 ATOM 179 OG1 THR 23 15.600 24.881 33.251 1.00 0.00 ATOM 180 O THR 23 14.710 28.260 32.269 1.00 0.00 ATOM 181 C THR 23 14.966 27.728 33.355 1.00 0.00 ATOM 182 N PHE 24 14.094 27.666 34.357 1.00 0.00 ATOM 183 CA PHE 24 12.688 28.105 34.275 1.00 0.00 ATOM 184 CB PHE 24 11.771 27.091 34.959 1.00 0.00 ATOM 185 CG PHE 24 11.741 25.748 34.284 1.00 0.00 ATOM 186 CD1 PHE 24 12.262 24.628 34.913 1.00 0.00 ATOM 187 CD2 PHE 24 11.193 25.605 33.018 1.00 0.00 ATOM 188 CE1 PHE 24 12.234 23.393 34.293 1.00 0.00 ATOM 189 CE2 PHE 24 11.165 24.372 32.396 1.00 0.00 ATOM 190 CZ PHE 24 11.685 23.265 33.035 1.00 0.00 ATOM 191 O PHE 24 11.244 29.877 35.047 1.00 0.00 ATOM 192 C PHE 24 12.409 29.486 34.881 1.00 0.00 ATOM 193 N ARG 25 13.446 30.307 34.996 1.00 0.00 ATOM 194 CA ARG 25 13.272 31.690 35.498 1.00 0.00 ATOM 195 CB ARG 25 14.602 32.371 35.780 1.00 0.00 ATOM 196 CG ARG 25 14.494 33.755 36.401 1.00 0.00 ATOM 197 CD ARG 25 15.800 34.394 36.701 1.00 0.00 ATOM 198 NE ARG 25 15.700 35.712 37.309 1.00 0.00 ATOM 199 CZ ARG 25 16.753 36.477 37.657 1.00 0.00 ATOM 200 NH1 ARG 25 17.984 36.047 37.495 1.00 0.00 ATOM 201 NH2 ARG 25 16.515 37.663 38.188 1.00 0.00 ATOM 202 O ARG 25 12.443 32.294 33.323 1.00 0.00 ATOM 203 C ARG 25 12.410 32.513 34.540 1.00 0.00 ATOM 204 N GLY 26 11.430 33.169 35.121 1.00 0.00 ATOM 205 CA GLY 26 10.441 33.958 34.359 1.00 0.00 ATOM 206 O GLY 26 8.155 33.804 33.696 1.00 0.00 ATOM 207 C GLY 26 9.120 33.204 34.163 1.00 0.00 ATOM 208 N ARG 27 9.124 31.893 34.359 1.00 0.00 ATOM 209 CA ARG 27 7.946 31.047 34.084 1.00 0.00 ATOM 210 CB ARG 27 8.301 29.818 33.260 1.00 0.00 ATOM 211 CG ARG 27 8.297 30.036 31.754 1.00 0.00 ATOM 212 CD ARG 27 9.553 30.617 31.217 1.00 0.00 ATOM 213 NE ARG 27 10.686 29.704 31.210 1.00 0.00 ATOM 214 CZ ARG 27 10.879 28.731 30.298 1.00 0.00 ATOM 215 NH1 ARG 27 10.005 28.516 29.341 1.00 0.00 ATOM 216 NH2 ARG 27 11.964 27.983 30.406 1.00 0.00 ATOM 217 O ARG 27 7.808 30.365 36.401 1.00 0.00 ATOM 218 C ARG 27 7.202 30.647 35.364 1.00 0.00 ATOM 219 N ALA 28 5.887 30.719 35.287 1.00 0.00 ATOM 220 CA ALA 28 5.034 30.233 36.384 1.00 0.00 ATOM 221 CB ALA 28 3.635 30.793 36.239 1.00 0.00 ATOM 222 O ALA 28 4.723 28.151 35.232 1.00 0.00 ATOM 223 C ALA 28 4.959 28.717 36.292 1.00 0.00 ATOM 224 N VAL 29 5.155 28.110 37.455 1.00 0.00 ATOM 225 CA VAL 29 5.274 26.642 37.536 1.00 0.00 ATOM 226 CB VAL 29 6.587 26.249 38.210 1.00 0.00 ATOM 227 CG1 VAL 29 6.732 24.739 38.206 1.00 0.00 ATOM 228 CG2 VAL 29 7.822 26.852 37.518 1.00 0.00 ATOM 229 O VAL 29 3.796 26.467 39.437 1.00 0.00 ATOM 230 C VAL 29 4.083 26.061 38.305 1.00 0.00 ATOM 231 N LEU 30 3.513 25.030 37.697 1.00 0.00 ATOM 232 CA LEU 30 2.493 24.198 38.362 1.00 0.00 ATOM 233 CB LEU 30 1.186 24.224 37.560 1.00 0.00 ATOM 234 CG LEU 30 -0.010 23.542 38.240 1.00 0.00 ATOM 235 CD1 LEU 30 -0.341 24.250 39.547 1.00 0.00 ATOM 236 CD2 LEU 30 -1.207 23.559 37.301 1.00 0.00 ATOM 237 O LEU 30 3.437 22.157 37.513 1.00 0.00 ATOM 238 C LEU 30 3.036 22.770 38.511 1.00 0.00 ATOM 239 N ILE 31 3.463 22.521 39.751 1.00 0.00 ATOM 240 CA ILE 31 4.055 21.221 40.137 1.00 0.00 ATOM 241 CB ILE 31 5.228 21.403 41.118 1.00 0.00 ATOM 242 CG1 ILE 31 6.417 22.060 40.412 1.00 0.00 ATOM 243 CG2 ILE 31 5.634 20.064 41.716 1.00 0.00 ATOM 244 CD1 ILE 31 7.517 22.502 41.349 1.00 0.00 ATOM 245 O ILE 31 2.347 20.763 41.756 1.00 0.00 ATOM 246 C ILE 31 2.957 20.350 40.767 1.00 0.00 ATOM 247 N GLU 32 2.950 19.104 40.305 1.00 0.00 ATOM 248 CA GLU 32 2.107 18.043 40.872 1.00 0.00 ATOM 249 CB GLU 32 0.897 17.691 39.991 1.00 0.00 ATOM 250 CG GLU 32 -0.168 18.793 39.935 1.00 0.00 ATOM 251 CD GLU 32 0.089 19.874 38.882 1.00 0.00 ATOM 252 OE1 GLU 32 1.040 19.760 38.070 1.00 0.00 ATOM 253 OE2 GLU 32 -0.730 20.810 38.871 1.00 0.00 ATOM 254 O GLU 32 3.726 16.364 40.255 1.00 0.00 ATOM 255 C GLU 32 2.883 16.750 41.075 1.00 0.00 ATOM 256 N ASN 33 2.651 16.087 42.206 1.00 0.00 ATOM 257 CA ASN 33 3.053 14.668 42.309 1.00 0.00 ATOM 258 CB ASN 33 2.960 14.167 43.739 1.00 0.00 ATOM 259 CG ASN 33 4.092 14.625 44.614 1.00 0.00 ATOM 260 ND2 ASN 33 5.283 14.568 44.076 1.00 0.00 ATOM 261 OD1 ASN 33 3.882 15.095 45.739 1.00 0.00 ATOM 262 O ASN 33 1.271 14.506 40.764 1.00 0.00 ATOM 263 C ASN 33 2.139 13.882 41.337 1.00 0.00 ATOM 264 N VAL 34 2.463 12.709 40.810 1.00 0.00 ATOM 265 CA VAL 34 1.519 12.004 39.909 1.00 0.00 ATOM 266 CB VAL 34 1.755 12.295 38.400 1.00 0.00 ATOM 267 CG1 VAL 34 1.608 13.768 38.008 1.00 0.00 ATOM 268 CG2 VAL 34 3.114 11.789 37.914 1.00 0.00 ATOM 269 O VAL 34 2.391 9.928 40.744 1.00 0.00 ATOM 270 C VAL 34 1.475 10.496 40.146 1.00 0.00 ATOM 271 N ALA 35 0.367 9.904 39.698 1.00 0.00 ATOM 272 CA ALA 35 0.301 8.440 39.555 1.00 0.00 ATOM 273 CB ALA 35 -0.131 7.805 40.859 1.00 0.00 ATOM 274 O ALA 35 -1.438 8.747 37.911 1.00 0.00 ATOM 275 C ALA 35 -0.568 8.010 38.368 1.00 0.00 ATOM 276 N SER 36 -0.398 6.755 37.986 1.00 0.00 ATOM 277 CA SER 36 -0.996 6.217 36.748 1.00 0.00 ATOM 278 CB SER 36 -0.006 5.316 36.038 1.00 0.00 ATOM 279 OG SER 36 1.140 6.012 35.629 1.00 0.00 ATOM 280 O SER 36 -3.099 5.260 36.046 1.00 0.00 ATOM 281 C SER 36 -2.300 5.439 36.967 1.00 0.00 ATOM 282 N LEU 37 -2.535 5.026 38.203 1.00 0.00 ATOM 283 CA LEU 37 -3.735 4.244 38.571 1.00 0.00 ATOM 284 CB LEU 37 -3.341 2.780 38.770 1.00 0.00 ATOM 285 CG LEU 37 -2.808 2.093 37.505 1.00 0.00 ATOM 286 CD1 LEU 37 -2.227 0.723 37.832 1.00 0.00 ATOM 287 CD2 LEU 37 -3.891 1.999 36.429 1.00 0.00 ATOM 288 O LEU 37 -4.915 4.102 40.676 1.00 0.00 ATOM 289 C LEU 37 -4.446 4.811 39.800 1.00 0.00 ATOM 290 N CYS 38 -4.708 6.104 39.731 1.00 0.00 ATOM 291 CA CYS 38 -5.422 6.829 40.783 1.00 0.00 ATOM 292 CB CYS 38 -4.593 8.030 41.213 1.00 0.00 ATOM 293 SG CYS 38 -3.044 7.507 41.995 1.00 0.00 ATOM 294 O CYS 38 -7.050 7.378 39.094 1.00 0.00 ATOM 295 C CYS 38 -6.781 7.305 40.293 1.00 0.00 ATOM 296 N GLY 39 -7.602 7.637 41.273 1.00 0.00 ATOM 297 CA GLY 39 -8.999 8.083 41.072 1.00 0.00 ATOM 298 O GLY 39 -10.018 9.559 39.476 1.00 0.00 ATOM 299 C GLY 39 -9.074 9.367 40.245 1.00 0.00 ATOM 300 N THR 40 -8.061 10.211 40.373 1.00 0.00 ATOM 301 CA THR 40 -8.036 11.483 39.626 1.00 0.00 ATOM 302 CB THR 40 -8.128 12.628 40.663 1.00 0.00 ATOM 303 CG2 THR 40 -7.679 14.018 40.228 1.00 0.00 ATOM 304 OG1 THR 40 -9.478 12.668 41.152 1.00 0.00 ATOM 305 O THR 40 -6.823 12.530 37.840 1.00 0.00 ATOM 306 C THR 40 -6.933 11.524 38.543 1.00 0.00 ATOM 307 N THR 41 -6.408 10.363 38.149 1.00 0.00 ATOM 308 CA THR 41 -5.395 10.265 37.068 1.00 0.00 ATOM 309 CB THR 41 -4.944 8.811 36.847 1.00 0.00 ATOM 310 CG2 THR 41 -4.077 8.705 35.602 1.00 0.00 ATOM 311 OG1 THR 41 -4.197 8.360 37.985 1.00 0.00 ATOM 312 O THR 41 -5.400 11.762 35.176 1.00 0.00 ATOM 313 C THR 41 -5.946 10.830 35.753 1.00 0.00 ATOM 314 N THR 42 -7.136 10.407 35.371 1.00 0.00 ATOM 315 CA THR 42 -7.766 10.929 34.138 1.00 0.00 ATOM 316 CB THR 42 -9.107 10.229 33.848 1.00 0.00 ATOM 317 CG2 THR 42 -9.759 10.819 32.607 1.00 0.00 ATOM 318 OG1 THR 42 -8.884 8.828 33.645 1.00 0.00 ATOM 319 O THR 42 -7.646 13.182 33.309 1.00 0.00 ATOM 320 C THR 42 -8.006 12.451 34.222 1.00 0.00 ATOM 321 N ARG 43 -8.648 12.885 35.289 1.00 0.00 ATOM 322 CA ARG 43 -8.983 14.309 35.485 1.00 0.00 ATOM 323 CB ARG 43 -9.851 14.530 36.714 1.00 0.00 ATOM 324 CG ARG 43 -11.278 14.021 36.588 1.00 0.00 ATOM 325 CD ARG 43 -12.104 14.205 37.810 1.00 0.00 ATOM 326 NE ARG 43 -13.456 13.678 37.709 1.00 0.00 ATOM 327 CZ ARG 43 -14.357 13.688 38.711 1.00 0.00 ATOM 328 NH1 ARG 43 -14.046 14.159 39.898 1.00 0.00 ATOM 329 NH2 ARG 43 -15.557 13.187 38.475 1.00 0.00 ATOM 330 O ARG 43 -7.614 16.162 34.769 1.00 0.00 ATOM 331 C ARG 43 -7.740 15.213 35.533 1.00 0.00 ATOM 332 N ASP 44 -6.768 14.844 36.352 1.00 0.00 ATOM 333 CA ASP 44 -5.548 15.648 36.528 1.00 0.00 ATOM 334 CB ASP 44 -4.764 15.123 37.727 1.00 0.00 ATOM 335 CG ASP 44 -3.545 15.973 38.056 1.00 0.00 ATOM 336 OD1 ASP 44 -3.759 17.181 38.341 1.00 0.00 ATOM 337 OD2 ASP 44 -2.462 15.364 38.087 1.00 0.00 ATOM 338 O ASP 44 -4.232 16.745 34.850 1.00 0.00 ATOM 339 C ASP 44 -4.639 15.673 35.297 1.00 0.00 ATOM 340 N PHE 45 -4.486 14.530 34.636 1.00 0.00 ATOM 341 CA PHE 45 -3.672 14.461 33.402 1.00 0.00 ATOM 342 CB PHE 45 -3.423 13.026 32.940 1.00 0.00 ATOM 343 CG PHE 45 -2.207 12.449 33.676 1.00 0.00 ATOM 344 CD1 PHE 45 -2.359 11.825 34.903 1.00 0.00 ATOM 345 CD2 PHE 45 -0.930 12.639 33.180 1.00 0.00 ATOM 346 CE1 PHE 45 -1.279 11.396 35.639 1.00 0.00 ATOM 347 CE2 PHE 45 0.169 12.215 33.909 1.00 0.00 ATOM 348 CZ PHE 45 -0.008 11.608 35.141 1.00 0.00 ATOM 349 O PHE 45 -3.628 16.083 31.624 1.00 0.00 ATOM 350 C PHE 45 -4.289 15.263 32.248 1.00 0.00 ATOM 351 N THR 46 -5.600 15.099 32.083 1.00 0.00 ATOM 352 CA THR 46 -6.347 15.834 31.035 1.00 0.00 ATOM 353 CB THR 46 -7.810 15.365 30.949 1.00 0.00 ATOM 354 CG2 THR 46 -8.569 16.170 29.905 1.00 0.00 ATOM 355 OG1 THR 46 -7.849 13.975 30.594 1.00 0.00 ATOM 356 O THR 46 -5.982 18.116 30.409 1.00 0.00 ATOM 357 C THR 46 -6.316 17.345 31.298 1.00 0.00 ATOM 358 N GLN 47 -6.560 17.724 32.556 1.00 0.00 ATOM 359 CA GLN 47 -6.537 19.154 32.942 1.00 0.00 ATOM 360 CB GLN 47 -7.052 19.330 34.374 1.00 0.00 ATOM 361 CG GLN 47 -8.565 19.262 34.503 1.00 0.00 ATOM 362 CD GLN 47 -9.014 19.037 35.934 1.00 0.00 ATOM 363 OE1 GLN 47 -8.191 18.841 36.834 1.00 0.00 ATOM 364 NE2 GLN 47 -10.324 19.059 36.154 1.00 0.00 ATOM 365 O GLN 47 -5.017 20.922 32.355 1.00 0.00 ATOM 366 C GLN 47 -5.147 19.796 32.848 1.00 0.00 ATOM 367 N LEU 48 -4.123 19.037 33.222 1.00 0.00 ATOM 368 CA LEU 48 -2.717 19.494 33.110 1.00 0.00 ATOM 369 CB LEU 48 -1.772 18.457 33.730 1.00 0.00 ATOM 370 CG LEU 48 -1.856 18.327 35.257 1.00 0.00 ATOM 371 CD1 LEU 48 -1.011 17.150 35.727 1.00 0.00 ATOM 372 CD2 LEU 48 -1.386 19.621 35.904 1.00 0.00 ATOM 373 O LEU 48 -1.783 20.825 31.308 1.00 0.00 ATOM 374 C LEU 48 -2.311 19.766 31.652 1.00 0.00 ATOM 375 N ASN 49 -2.785 18.866 30.784 1.00 0.00 ATOM 376 CA ASN 49 -2.516 18.899 29.334 1.00 0.00 ATOM 377 CB ASN 49 -2.991 17.629 28.652 1.00 0.00 ATOM 378 CG ASN 49 -2.620 17.547 27.198 1.00 0.00 ATOM 379 ND2 ASN 49 -3.622 17.596 26.355 1.00 0.00 ATOM 380 OD1 ASN 49 -1.437 17.515 26.838 1.00 0.00 ATOM 381 O ASN 49 -2.488 20.797 27.855 1.00 0.00 ATOM 382 C ASN 49 -3.154 20.124 28.647 1.00 0.00 ATOM 383 N GLU 50 -4.387 20.440 29.017 1.00 0.00 ATOM 384 CA GLU 50 -5.079 21.627 28.480 1.00 0.00 ATOM 385 CB GLU 50 -6.539 21.650 28.940 1.00 0.00 ATOM 386 CG GLU 50 -7.415 20.581 28.305 1.00 0.00 ATOM 387 CD GLU 50 -8.800 20.592 28.890 1.00 0.00 ATOM 388 OE1 GLU 50 -9.036 21.351 29.799 1.00 0.00 ATOM 389 OE2 GLU 50 -9.655 19.923 28.357 1.00 0.00 ATOM 390 O GLU 50 -4.098 23.766 28.026 1.00 0.00 ATOM 391 C GLU 50 -4.389 22.935 28.890 1.00 0.00 ATOM 392 N LEU 51 -3.890 22.962 30.130 1.00 0.00 ATOM 393 CA LEU 51 -3.121 24.115 30.655 1.00 0.00 ATOM 394 CB LEU 51 -2.872 23.963 32.152 1.00 0.00 ATOM 395 CG LEU 51 -4.131 24.118 33.004 1.00 0.00 ATOM 396 CD1 LEU 51 -3.766 23.809 34.446 1.00 0.00 ATOM 397 CD2 LEU 51 -4.690 25.535 32.951 1.00 0.00 ATOM 398 O LEU 51 -1.513 25.413 29.449 1.00 0.00 ATOM 399 C LEU 51 -1.794 24.325 29.925 1.00 0.00 ATOM 400 N GLN 52 -1.108 23.224 29.652 1.00 0.00 ATOM 401 CA GLN 52 0.167 23.268 28.913 1.00 0.00 ATOM 402 CB GLN 52 0.814 21.881 28.877 1.00 0.00 ATOM 403 CG GLN 52 2.186 21.851 28.223 1.00 0.00 ATOM 404 CD GLN 52 3.207 22.675 28.983 1.00 0.00 ATOM 405 OE1 GLN 52 3.303 22.592 30.211 1.00 0.00 ATOM 406 NE2 GLN 52 3.974 23.481 28.257 1.00 0.00 ATOM 407 O GLN 52 0.676 24.677 27.020 1.00 0.00 ATOM 408 C GLN 52 -0.029 23.784 27.467 1.00 0.00 ATOM 409 N CYS 53 -1.077 23.289 26.816 1.00 0.00 ATOM 410 CA CYS 53 -1.395 23.704 25.438 1.00 0.00 ATOM 411 CB CYS 53 -2.502 22.801 24.894 1.00 0.00 ATOM 412 SG CYS 53 -1.836 21.106 24.709 1.00 0.00 ATOM 413 O CYS 53 -1.322 25.903 24.444 1.00 0.00 ATOM 414 C CYS 53 -1.786 25.186 25.326 1.00 0.00 ATOM 415 N ARG 54 -2.570 25.616 26.305 1.00 0.00 ATOM 416 CA ARG 54 -3.227 26.936 26.326 1.00 0.00 ATOM 417 CB ARG 54 -4.679 26.848 26.775 1.00 0.00 ATOM 418 CG ARG 54 -5.592 26.072 25.838 1.00 0.00 ATOM 419 CD ARG 54 -7.017 26.044 26.257 1.00 0.00 ATOM 420 NE ARG 54 -7.887 25.275 25.381 1.00 0.00 ATOM 421 CZ ARG 54 -9.191 25.035 25.618 1.00 0.00 ATOM 422 NH1 ARG 54 -9.771 25.466 26.716 1.00 0.00 ATOM 423 NH2 ARG 54 -9.869 24.333 24.727 1.00 0.00 ATOM 424 O ARG 54 -2.975 29.157 27.197 1.00 0.00 ATOM 425 C ARG 54 -2.524 28.007 27.145 1.00 0.00 ATOM 426 N PHE 55 -1.417 27.654 27.772 1.00 0.00 ATOM 427 CA PHE 55 -0.701 28.662 28.547 1.00 0.00 ATOM 428 CB PHE 55 -0.834 28.340 30.039 1.00 0.00 ATOM 429 CG PHE 55 -1.985 29.007 30.825 1.00 0.00 ATOM 430 CD1 PHE 55 -1.832 30.338 31.214 1.00 0.00 ATOM 431 CD2 PHE 55 -3.125 28.333 31.267 1.00 0.00 ATOM 432 CE1 PHE 55 -2.791 30.991 31.994 1.00 0.00 ATOM 433 CE2 PHE 55 -4.084 28.985 32.047 1.00 0.00 ATOM 434 CZ PHE 55 -3.915 30.310 32.413 1.00 0.00 ATOM 435 O PHE 55 1.735 28.779 28.539 1.00 0.00 ATOM 436 C PHE 55 0.680 28.923 27.910 1.00 0.00 ATOM 437 N PRO 56 0.658 29.444 26.671 1.00 0.00 ATOM 438 CA PRO 56 1.888 29.921 26.010 1.00 0.00 ATOM 439 CB PRO 56 1.488 30.069 24.553 1.00 0.00 ATOM 440 CG PRO 56 0.072 30.626 24.660 1.00 0.00 ATOM 441 CD PRO 56 -0.503 29.977 25.921 1.00 0.00 ATOM 442 O PRO 56 3.133 31.973 26.192 1.00 0.00 ATOM 443 C PRO 56 2.222 31.287 26.645 1.00 0.00 ATOM 444 N ARG 57 1.367 31.748 27.549 1.00 0.00 ATOM 445 CA ARG 57 1.602 32.999 28.271 1.00 0.00 ATOM 446 CB ARG 57 0.304 33.701 28.641 1.00 0.00 ATOM 447 CG ARG 57 -0.478 34.261 27.462 1.00 0.00 ATOM 448 CD ARG 57 -1.712 34.995 27.840 1.00 0.00 ATOM 449 NE ARG 57 -2.481 35.500 26.714 1.00 0.00 ATOM 450 CZ ARG 57 -3.645 36.171 26.822 1.00 0.00 ATOM 451 NH1 ARG 57 -4.196 36.387 27.996 1.00 0.00 ATOM 452 NH2 ARG 57 -4.232 36.586 25.713 1.00 0.00 ATOM 453 O ARG 57 2.374 33.466 30.508 1.00 0.00 ATOM 454 C ARG 57 2.486 32.770 29.501 1.00 0.00 ATOM 455 N ARG 58 3.412 31.810 29.364 1.00 0.00 ATOM 456 CA ARG 58 4.549 31.541 30.260 1.00 0.00 ATOM 457 CB ARG 58 5.205 32.822 30.753 1.00 0.00 ATOM 458 CG ARG 58 5.900 33.640 29.675 1.00 0.00 ATOM 459 CD ARG 58 6.540 34.887 30.169 1.00 0.00 ATOM 460 NE ARG 58 7.164 35.696 29.134 1.00 0.00 ATOM 461 CZ ARG 58 7.758 36.886 29.348 1.00 0.00 ATOM 462 NH1 ARG 58 7.778 37.428 30.545 1.00 0.00 ATOM 463 NH2 ARG 58 8.299 37.507 28.314 1.00 0.00 ATOM 464 O ARG 58 4.687 30.823 32.573 1.00 0.00 ATOM 465 C ARG 58 4.205 30.638 31.460 1.00 0.00 ATOM 466 N LEU 59 3.503 29.533 31.151 1.00 0.00 ATOM 467 CA LEU 59 3.170 28.442 32.112 1.00 0.00 ATOM 468 CB LEU 59 1.656 28.193 32.128 1.00 0.00 ATOM 469 CG LEU 59 1.170 27.204 33.194 1.00 0.00 ATOM 470 CD1 LEU 59 1.405 27.778 34.585 1.00 0.00 ATOM 471 CD2 LEU 59 -0.306 26.907 32.976 1.00 0.00 ATOM 472 O LEU 59 3.861 26.626 30.650 1.00 0.00 ATOM 473 C LEU 59 3.917 27.156 31.764 1.00 0.00 ATOM 474 N VAL 60 4.604 26.658 32.785 1.00 0.00 ATOM 475 CA VAL 60 5.291 25.357 32.707 1.00 0.00 ATOM 476 CB VAL 60 6.804 25.501 32.950 1.00 0.00 ATOM 477 CG1 VAL 60 7.482 24.140 32.908 1.00 0.00 ATOM 478 CG2 VAL 60 7.423 26.435 31.921 1.00 0.00 ATOM 479 O VAL 60 4.597 24.746 34.932 1.00 0.00 ATOM 480 C VAL 60 4.660 24.429 33.744 1.00 0.00 ATOM 481 N VAL 61 4.253 23.277 33.238 1.00 0.00 ATOM 482 CA VAL 61 3.705 22.203 34.081 1.00 0.00 ATOM 483 CB VAL 61 2.413 21.603 33.494 1.00 0.00 ATOM 484 CG1 VAL 61 1.864 20.475 34.377 1.00 0.00 ATOM 485 CG2 VAL 61 1.326 22.661 33.310 1.00 0.00 ATOM 486 O VAL 61 5.427 20.679 33.298 1.00 0.00 ATOM 487 C VAL 61 4.792 21.139 34.257 1.00 0.00 ATOM 488 N LEU 62 5.042 20.833 35.515 1.00 0.00 ATOM 489 CA LEU 62 6.021 19.806 35.879 1.00 0.00 ATOM 490 CB LEU 62 7.179 20.433 36.667 1.00 0.00 ATOM 491 CG LEU 62 7.828 21.658 36.012 1.00 0.00 ATOM 492 CD1 LEU 62 8.863 22.264 36.949 1.00 0.00 ATOM 493 CD2 LEU 62 8.468 21.249 34.694 1.00 0.00 ATOM 494 O LEU 62 4.528 18.998 37.584 1.00 0.00 ATOM 495 C LEU 62 5.311 18.713 36.687 1.00 0.00 ATOM 496 N GLY 63 5.620 17.468 36.327 1.00 0.00 ATOM 497 CA GLY 63 5.061 16.289 36.998 1.00 0.00 ATOM 498 O GLY 63 7.240 15.245 37.054 1.00 0.00 ATOM 499 C GLY 63 6.171 15.459 37.635 1.00 0.00 ATOM 500 N PHE 64 5.864 14.980 38.832 1.00 0.00 ATOM 501 CA PHE 64 6.764 14.152 39.649 1.00 0.00 ATOM 502 CB PHE 64 7.069 14.833 40.989 1.00 0.00 ATOM 503 CG PHE 64 8.028 15.994 40.843 1.00 0.00 ATOM 504 CD1 PHE 64 9.361 15.802 41.167 1.00 0.00 ATOM 505 CD2 PHE 64 7.566 17.226 40.425 1.00 0.00 ATOM 506 CE1 PHE 64 10.252 16.860 41.081 1.00 0.00 ATOM 507 CE2 PHE 64 8.454 18.292 40.334 1.00 0.00 ATOM 508 CZ PHE 64 9.796 18.109 40.662 1.00 0.00 ATOM 509 O PHE 64 5.201 12.817 40.863 1.00 0.00 ATOM 510 C PHE 64 6.069 12.827 39.986 1.00 0.00 ATOM 511 N PRO 65 6.389 11.732 39.303 1.00 0.00 ATOM 512 CA PRO 65 5.789 10.428 39.612 1.00 0.00 ATOM 513 CB PRO 65 6.212 9.520 38.463 1.00 0.00 ATOM 514 CG PRO 65 7.572 10.095 38.086 1.00 0.00 ATOM 515 CD PRO 65 7.374 11.602 38.212 1.00 0.00 ATOM 516 O PRO 65 7.473 9.987 41.299 1.00 0.00 ATOM 517 C PRO 65 6.291 9.931 40.971 1.00 0.00 ATOM 518 N CYS 66 5.314 9.592 41.793 1.00 0.00 ATOM 519 CA CYS 66 5.601 9.108 43.151 1.00 0.00 ATOM 520 CB CYS 66 5.438 10.224 44.182 1.00 0.00 ATOM 521 SG CYS 66 6.487 11.668 43.791 1.00 0.00 ATOM 522 O CYS 66 3.560 7.801 43.132 1.00 0.00 ATOM 523 C CYS 66 4.732 7.898 43.469 1.00 0.00 ATOM 524 N ASN 67 5.322 6.968 44.208 1.00 0.00 ATOM 525 CA ASN 67 4.615 5.704 44.528 1.00 0.00 ATOM 526 CB ASN 67 5.415 4.493 44.087 1.00 0.00 ATOM 527 CG ASN 67 6.737 4.352 44.789 1.00 0.00 ATOM 528 ND2 ASN 67 7.442 3.299 44.463 1.00 0.00 ATOM 529 OD1 ASN 67 7.147 5.224 45.563 1.00 0.00 ATOM 530 O ASN 67 3.945 4.450 46.471 1.00 0.00 ATOM 531 C ASN 67 4.263 5.543 46.011 1.00 0.00 ATOM 532 N GLN 68 4.219 6.671 46.716 1.00 0.00 ATOM 533 CA GLN 68 3.925 6.715 48.163 1.00 0.00 ATOM 534 CB GLN 68 4.346 8.062 48.755 1.00 0.00 ATOM 535 CG GLN 68 5.843 8.325 48.701 1.00 0.00 ATOM 536 CD GLN 68 6.642 7.269 49.439 1.00 0.00 ATOM 537 OE1 GLN 68 6.321 6.908 50.575 1.00 0.00 ATOM 538 NE2 GLN 68 7.692 6.769 48.799 1.00 0.00 ATOM 539 O GLN 68 2.119 5.994 49.578 1.00 0.00 ATOM 540 C GLN 68 2.445 6.481 48.498 1.00 0.00 ATOM 541 N PHE 69 1.559 6.796 47.567 1.00 0.00 ATOM 542 CA PHE 69 0.121 6.842 47.914 1.00 0.00 ATOM 543 CB PHE 69 -0.416 8.261 47.683 1.00 0.00 ATOM 544 CG PHE 69 0.453 9.352 48.337 1.00 0.00 ATOM 545 CD1 PHE 69 1.475 9.942 47.601 1.00 0.00 ATOM 546 CD2 PHE 69 0.279 9.757 49.653 1.00 0.00 ATOM 547 CE1 PHE 69 2.298 10.909 48.179 1.00 0.00 ATOM 548 CE2 PHE 69 1.091 10.715 50.227 1.00 0.00 ATOM 549 CZ PHE 69 2.113 11.305 49.490 1.00 0.00 ATOM 550 O PHE 69 -1.132 5.738 46.130 1.00 0.00 ATOM 551 C PHE 69 -0.692 5.698 47.277 1.00 0.00 ATOM 552 N GLY 70 -0.811 4.604 48.033 1.00 0.00 ATOM 553 CA GLY 70 -1.480 3.360 47.583 1.00 0.00 ATOM 554 O GLY 70 -1.342 1.831 45.735 1.00 0.00 ATOM 555 C GLY 70 -0.731 2.621 46.462 1.00 0.00 ATOM 556 N HIS 71 0.564 2.891 46.378 1.00 0.00 ATOM 557 CA HIS 71 1.507 2.329 45.386 1.00 0.00 ATOM 558 CB HIS 71 1.746 0.839 45.651 1.00 0.00 ATOM 559 CG HIS 71 2.294 0.551 47.014 1.00 0.00 ATOM 560 CD2 HIS 71 1.753 -0.097 48.074 1.00 0.00 ATOM 561 ND1 HIS 71 3.553 0.949 47.408 1.00 0.00 ATOM 562 CE1 HIS 71 3.765 0.559 48.653 1.00 0.00 ATOM 563 NE2 HIS 71 2.689 -0.077 49.079 1.00 0.00 ATOM 564 O HIS 71 1.265 1.722 43.033 1.00 0.00 ATOM 565 C HIS 71 1.012 2.519 43.950 1.00 0.00 ATOM 566 N GLN 72 0.403 3.661 43.719 1.00 0.00 ATOM 567 CA GLN 72 -0.289 3.812 42.430 1.00 0.00 ATOM 568 CB GLN 72 -1.447 4.797 42.535 1.00 0.00 ATOM 569 CG GLN 72 -2.438 4.430 43.653 1.00 0.00 ATOM 570 CD GLN 72 -3.394 3.319 43.225 1.00 0.00 ATOM 571 OE1 GLN 72 -3.059 2.301 42.646 1.00 0.00 ATOM 572 NE2 GLN 72 -4.651 3.573 43.481 1.00 0.00 ATOM 573 O GLN 72 0.405 3.521 40.165 1.00 0.00 ATOM 574 C GLN 72 0.678 4.031 41.247 1.00 0.00 ATOM 575 N GLU 73 1.901 4.461 41.572 1.00 0.00 ATOM 576 CA GLU 73 2.982 4.591 40.562 1.00 0.00 ATOM 577 CB GLU 73 3.584 5.997 40.600 1.00 0.00 ATOM 578 CG GLU 73 4.489 6.327 39.423 1.00 0.00 ATOM 579 CD GLU 73 3.707 6.418 38.141 1.00 0.00 ATOM 580 OE1 GLU 73 2.501 6.409 38.202 1.00 0.00 ATOM 581 OE2 GLU 73 4.311 6.610 37.112 1.00 0.00 ATOM 582 O GLU 73 5.278 3.842 40.995 1.00 0.00 ATOM 583 C GLU 73 4.104 3.563 40.742 1.00 0.00 ATOM 584 N ASN 74 3.675 2.317 40.695 1.00 0.00 ATOM 585 CA ASN 74 4.555 1.149 40.803 1.00 0.00 ATOM 586 CB ASN 74 3.770 -0.111 41.115 1.00 0.00 ATOM 587 CG ASN 74 4.634 -1.286 41.484 1.00 0.00 ATOM 588 ND2 ASN 74 4.595 -2.297 40.654 1.00 0.00 ATOM 589 OD1 ASN 74 5.383 -1.247 42.468 1.00 0.00 ATOM 590 O ASN 74 6.476 0.254 39.667 1.00 0.00 ATOM 591 C ASN 74 5.425 0.880 39.556 1.00 0.00 ATOM 592 N CYS 75 4.972 1.375 38.416 1.00 0.00 ATOM 593 CA CYS 75 5.728 1.247 37.159 1.00 0.00 ATOM 594 CB CYS 75 4.912 1.822 36.001 1.00 0.00 ATOM 595 SG CYS 75 3.341 0.891 35.886 1.00 0.00 ATOM 596 O CYS 75 7.270 2.874 38.030 1.00 0.00 ATOM 597 C CYS 75 7.084 1.943 37.254 1.00 0.00 ATOM 598 N GLN 76 8.068 1.279 36.678 1.00 0.00 ATOM 599 CA GLN 76 9.413 1.877 36.572 1.00 0.00 ATOM 600 CB GLN 76 10.406 0.913 35.928 1.00 0.00 ATOM 601 CG GLN 76 10.605 -0.337 36.786 1.00 0.00 ATOM 602 CD GLN 76 11.207 -0.050 38.156 1.00 0.00 ATOM 603 OE1 GLN 76 12.197 0.631 38.357 1.00 0.00 ATOM 604 NE2 GLN 76 10.612 -0.635 39.149 1.00 0.00 ATOM 605 O GLN 76 8.437 3.361 34.951 1.00 0.00 ATOM 606 C GLN 76 9.350 3.155 35.748 1.00 0.00 ATOM 607 N ASN 77 10.398 3.960 35.848 1.00 0.00 ATOM 608 CA ASN 77 10.481 5.210 35.059 1.00 0.00 ATOM 609 CB ASN 77 11.809 5.918 35.238 1.00 0.00 ATOM 610 CG ASN 77 11.960 6.559 36.606 1.00 0.00 ATOM 611 ND2 ASN 77 13.195 6.847 36.881 1.00 0.00 ATOM 612 OD1 ASN 77 11.066 6.822 37.399 1.00 0.00 ATOM 613 O ASN 77 9.502 5.636 32.900 1.00 0.00 ATOM 614 C ASN 77 10.304 4.965 33.555 1.00 0.00 ATOM 615 N GLU 78 10.963 3.913 33.076 1.00 0.00 ATOM 616 CA GLU 78 10.877 3.488 31.665 1.00 0.00 ATOM 617 CB GLU 78 11.873 2.363 31.380 1.00 0.00 ATOM 618 CG GLU 78 13.331 2.799 31.386 1.00 0.00 ATOM 619 CD GLU 78 14.252 1.629 31.183 1.00 0.00 ATOM 620 OE1 GLU 78 13.770 0.523 31.109 1.00 0.00 ATOM 621 OE2 GLU 78 15.425 1.847 30.989 1.00 0.00 ATOM 622 O GLU 78 9.124 3.178 30.049 1.00 0.00 ATOM 623 C GLU 78 9.486 3.014 31.212 1.00 0.00 ATOM 624 N GLU 79 8.650 2.656 32.188 1.00 0.00 ATOM 625 CA GLU 79 7.289 2.126 31.948 1.00 0.00 ATOM 626 CB GLU 79 6.983 0.956 32.886 1.00 0.00 ATOM 627 CG GLU 79 7.886 -0.261 32.715 1.00 0.00 ATOM 628 CD GLU 79 7.497 -1.311 33.766 1.00 0.00 ATOM 629 OE1 GLU 79 7.591 -0.979 34.968 1.00 0.00 ATOM 630 OE2 GLU 79 7.053 -2.415 33.405 1.00 0.00 ATOM 631 O GLU 79 4.988 2.803 31.891 1.00 0.00 ATOM 632 C GLU 79 6.139 3.128 32.176 1.00 0.00 ATOM 633 N ILE 80 6.443 4.361 32.589 1.00 0.00 ATOM 634 CA ILE 80 5.391 5.353 32.923 1.00 0.00 ATOM 635 CB ILE 80 5.980 6.582 33.638 1.00 0.00 ATOM 636 CG1 ILE 80 6.627 6.170 34.964 1.00 0.00 ATOM 637 CG2 ILE 80 4.902 7.630 33.872 1.00 0.00 ATOM 638 CD1 ILE 80 7.461 7.258 35.601 1.00 0.00 ATOM 639 O ILE 80 3.403 5.817 31.627 1.00 0.00 ATOM 640 C ILE 80 4.637 5.823 31.671 1.00 0.00 ATOM 641 N LEU 81 5.403 6.300 30.694 1.00 0.00 ATOM 642 CA LEU 81 4.806 6.891 29.480 1.00 0.00 ATOM 643 CB LEU 81 5.905 7.430 28.556 1.00 0.00 ATOM 644 CG LEU 81 5.404 8.118 27.279 1.00 0.00 ATOM 645 CD1 LEU 81 4.548 9.324 27.638 1.00 0.00 ATOM 646 CD2 LEU 81 6.593 8.536 26.427 1.00 0.00 ATOM 647 O LEU 81 2.821 6.189 28.323 1.00 0.00 ATOM 648 C LEU 81 3.937 5.871 28.735 1.00 0.00 ATOM 649 N ASN 82 4.372 4.616 28.738 1.00 0.00 ATOM 650 CA ASN 82 3.557 3.530 28.171 1.00 0.00 ATOM 651 CB ASN 82 4.333 2.226 28.095 1.00 0.00 ATOM 652 CG ASN 82 5.385 2.213 27.008 1.00 0.00 ATOM 653 ND2 ASN 82 6.275 1.271 27.173 1.00 0.00 ATOM 654 OD1 ASN 82 5.387 2.946 26.035 1.00 0.00 ATOM 655 O ASN 82 1.209 3.088 28.328 1.00 0.00 ATOM 656 C ASN 82 2.252 3.294 28.941 1.00 0.00 ATOM 657 N SER 83 2.322 3.378 30.267 1.00 0.00 ATOM 658 CA SER 83 1.125 3.251 31.117 1.00 0.00 ATOM 659 CB SER 83 1.473 3.278 32.605 1.00 0.00 ATOM 660 OG SER 83 2.237 2.115 32.938 1.00 0.00 ATOM 661 O SER 83 -1.051 4.119 30.565 1.00 0.00 ATOM 662 C SER 83 0.129 4.372 30.812 1.00 0.00 ATOM 663 N LEU 84 0.661 5.575 30.625 1.00 0.00 ATOM 664 CA LEU 84 -0.142 6.745 30.254 1.00 0.00 ATOM 665 CB LEU 84 0.714 8.008 30.273 1.00 0.00 ATOM 666 CG LEU 84 1.131 8.439 31.679 1.00 0.00 ATOM 667 CD1 LEU 84 2.113 9.585 31.490 1.00 0.00 ATOM 668 CD2 LEU 84 -0.095 8.859 32.508 1.00 0.00 ATOM 669 O LEU 84 -1.999 6.840 28.745 1.00 0.00 ATOM 670 C LEU 84 -0.796 6.626 28.881 1.00 0.00 ATOM 671 N LYS 85 -0.011 6.123 27.931 1.00 0.00 ATOM 672 CA LYS 85 -0.433 5.965 26.525 1.00 0.00 ATOM 673 CB LYS 85 0.800 5.745 25.637 1.00 0.00 ATOM 674 CG LYS 85 0.445 5.659 24.144 1.00 0.00 ATOM 675 CD LYS 85 1.697 5.525 23.290 1.00 0.00 ATOM 676 CE LYS 85 1.314 5.445 21.810 1.00 0.00 ATOM 677 NZ LYS 85 2.517 5.292 20.988 1.00 0.00 ATOM 678 O LYS 85 -2.467 5.035 25.706 1.00 0.00 ATOM 679 C LYS 85 -1.443 4.829 26.349 1.00 0.00 ATOM 680 N TYR 86 -1.162 3.675 26.938 1.00 0.00 ATOM 681 CA TYR 86 -1.926 2.444 26.631 1.00 0.00 ATOM 682 CB TYR 86 -0.974 1.278 26.353 1.00 0.00 ATOM 683 CG TYR 86 -0.078 1.492 25.154 1.00 0.00 ATOM 684 CD1 TYR 86 1.244 1.881 25.311 1.00 0.00 ATOM 685 CD2 TYR 86 -0.556 1.301 23.865 1.00 0.00 ATOM 686 CE1 TYR 86 2.067 2.077 24.219 1.00 0.00 ATOM 687 CE2 TYR 86 0.257 1.495 22.765 1.00 0.00 ATOM 688 CZ TYR 86 1.569 1.882 22.947 1.00 0.00 ATOM 689 OH TYR 86 2.384 2.075 21.855 1.00 0.00 ATOM 690 O TYR 86 -3.714 1.100 27.412 1.00 0.00 ATOM 691 C TYR 86 -2.908 1.987 27.701 1.00 0.00 ATOM 692 N VAL 87 -2.744 2.472 28.918 1.00 0.00 ATOM 693 CA VAL 87 -3.537 2.027 30.089 1.00 0.00 ATOM 694 CB VAL 87 -2.647 1.524 31.233 1.00 0.00 ATOM 695 CG1 VAL 87 -3.444 1.043 32.455 1.00 0.00 ATOM 696 CG2 VAL 87 -1.794 0.361 30.766 1.00 0.00 ATOM 697 O VAL 87 -5.650 2.954 30.707 1.00 0.00 ATOM 698 C VAL 87 -4.451 3.156 30.578 1.00 0.00 ATOM 699 N ARG 88 -3.870 4.146 31.212 1.00 0.00 ATOM 700 CA ARG 88 -4.635 5.246 31.836 1.00 0.00 ATOM 701 CB ARG 88 -5.115 4.891 33.235 1.00 0.00 ATOM 702 CG ARG 88 -6.229 5.776 33.772 1.00 0.00 ATOM 703 CD ARG 88 -6.751 5.363 35.100 1.00 0.00 ATOM 704 NE ARG 88 -7.782 6.235 35.639 1.00 0.00 ATOM 705 CZ ARG 88 -8.497 5.979 36.751 1.00 0.00 ATOM 706 NH1 ARG 88 -8.325 4.863 37.425 1.00 0.00 ATOM 707 NH2 ARG 88 -9.396 6.869 37.136 1.00 0.00 ATOM 708 O ARG 88 -2.665 6.490 32.323 1.00 0.00 ATOM 709 C ARG 88 -3.777 6.515 31.800 1.00 0.00 ATOM 710 N PRO 89 -4.289 7.564 31.161 1.00 0.00 ATOM 711 CA PRO 89 -5.603 7.632 30.488 1.00 0.00 ATOM 712 CB PRO 89 -5.799 9.092 30.075 1.00 0.00 ATOM 713 CG PRO 89 -4.399 9.684 30.116 1.00 0.00 ATOM 714 CD PRO 89 -3.575 8.844 31.078 1.00 0.00 ATOM 715 O PRO 89 -6.957 6.355 29.008 1.00 0.00 ATOM 716 C PRO 89 -5.818 6.692 29.299 1.00 0.00 ATOM 717 N GLY 90 -4.712 6.218 28.729 1.00 0.00 ATOM 718 CA GLY 90 -4.751 5.310 27.563 1.00 0.00 ATOM 719 O GLY 90 -5.429 7.294 26.342 1.00 0.00 ATOM 720 C GLY 90 -5.302 6.067 26.345 1.00 0.00 ATOM 721 N GLY 91 -5.531 5.295 25.284 1.00 0.00 ATOM 722 CA GLY 91 -6.045 5.829 24.012 1.00 0.00 ATOM 723 O GLY 91 -5.502 7.482 22.409 1.00 0.00 ATOM 724 C GLY 91 -5.073 6.758 23.296 1.00 0.00 ATOM 725 N GLY 92 -3.817 6.677 23.714 1.00 0.00 ATOM 726 CA GLY 92 -2.667 7.363 23.099 1.00 0.00 ATOM 727 O GLY 92 -1.432 9.400 23.244 1.00 0.00 ATOM 728 C GLY 92 -2.275 8.690 23.767 1.00 0.00 ATOM 729 N TYR 93 -2.698 8.871 25.009 1.00 0.00 ATOM 730 CA TYR 93 -2.338 10.082 25.766 1.00 0.00 ATOM 731 CB TYR 93 -3.058 10.131 27.113 1.00 0.00 ATOM 732 CG TYR 93 -2.606 11.315 27.976 1.00 0.00 ATOM 733 CD1 TYR 93 -3.134 12.583 27.767 1.00 0.00 ATOM 734 CD2 TYR 93 -1.665 11.129 28.980 1.00 0.00 ATOM 735 CE1 TYR 93 -2.730 13.655 28.557 1.00 0.00 ATOM 736 CE2 TYR 93 -1.262 12.200 29.769 1.00 0.00 ATOM 737 CZ TYR 93 -1.790 13.462 29.552 1.00 0.00 ATOM 738 OH TYR 93 -1.321 14.521 30.267 1.00 0.00 ATOM 739 O TYR 93 -0.160 9.285 26.467 1.00 0.00 ATOM 740 C TYR 93 -0.836 10.214 26.003 1.00 0.00 ATOM 741 N GLN 94 -0.407 11.443 25.800 1.00 0.00 ATOM 742 CA GLN 94 0.991 11.848 26.040 1.00 0.00 ATOM 743 CB GLN 94 1.764 11.914 24.719 1.00 0.00 ATOM 744 CG GLN 94 3.234 12.261 24.875 1.00 0.00 ATOM 745 CD GLN 94 3.981 12.227 23.555 1.00 0.00 ATOM 746 OE1 GLN 94 3.395 11.961 22.501 1.00 0.00 ATOM 747 NE2 GLN 94 5.282 12.491 23.605 1.00 0.00 ATOM 748 O GLN 94 0.377 14.149 26.286 1.00 0.00 ATOM 749 C GLN 94 1.024 13.200 26.744 1.00 0.00 ATOM 750 N PRO 95 1.740 13.284 27.870 1.00 0.00 ATOM 751 CA PRO 95 1.884 14.558 28.602 1.00 0.00 ATOM 752 CB PRO 95 2.648 14.183 29.871 1.00 0.00 ATOM 753 CG PRO 95 3.495 12.988 29.417 1.00 0.00 ATOM 754 CD PRO 95 2.543 12.218 28.503 1.00 0.00 ATOM 755 O PRO 95 3.599 15.181 27.013 1.00 0.00 ATOM 756 C PRO 95 2.654 15.541 27.717 1.00 0.00 ATOM 757 N THR 96 2.181 16.779 27.720 1.00 0.00 ATOM 758 CA THR 96 2.832 17.822 26.922 1.00 0.00 ATOM 759 CB THR 96 1.804 18.694 26.179 1.00 0.00 ATOM 760 CG2 THR 96 1.111 17.922 25.064 1.00 0.00 ATOM 761 OG1 THR 96 0.873 19.227 27.117 1.00 0.00 ATOM 762 O THR 96 4.217 19.741 27.367 1.00 0.00 ATOM 763 C THR 96 3.746 18.697 27.789 1.00 0.00 ATOM 764 N PHE 97 4.044 18.257 29.001 1.00 0.00 ATOM 765 CA PHE 97 4.894 19.040 29.922 1.00 0.00 ATOM 766 CB PHE 97 4.009 19.486 31.091 1.00 0.00 ATOM 767 CG PHE 97 3.442 18.332 31.908 1.00 0.00 ATOM 768 CD1 PHE 97 4.152 17.834 32.988 1.00 0.00 ATOM 769 CD2 PHE 97 2.219 17.774 31.567 1.00 0.00 ATOM 770 CE1 PHE 97 3.642 16.780 33.711 1.00 0.00 ATOM 771 CE2 PHE 97 1.705 16.716 32.307 1.00 0.00 ATOM 772 CZ PHE 97 2.423 16.213 33.376 1.00 0.00 ATOM 773 O PHE 97 6.737 17.625 29.464 1.00 0.00 ATOM 774 C PHE 97 6.200 18.311 30.306 1.00 0.00 ATOM 775 N THR 98 6.795 18.492 31.481 1.00 0.00 ATOM 776 CA THR 98 8.048 17.776 31.850 1.00 0.00 ATOM 777 CB THR 98 9.204 18.713 32.286 1.00 0.00 ATOM 778 CG2 THR 98 10.431 17.960 32.824 1.00 0.00 ATOM 779 OG1 THR 98 9.599 19.569 31.214 1.00 0.00 ATOM 780 O THR 98 7.434 17.283 34.113 1.00 0.00 ATOM 781 C THR 98 7.747 16.831 33.011 1.00 0.00 ATOM 782 N LEU 99 8.081 15.560 32.790 1.00 0.00 ATOM 783 CA LEU 99 8.062 14.576 33.875 1.00 0.00 ATOM 784 CB LEU 99 7.299 13.306 33.446 1.00 0.00 ATOM 785 CG LEU 99 5.837 13.614 33.107 1.00 0.00 ATOM 786 CD1 LEU 99 5.080 12.443 32.481 1.00 0.00 ATOM 787 CD2 LEU 99 5.056 13.887 34.387 1.00 0.00 ATOM 788 O LEU 99 10.395 14.075 33.448 1.00 0.00 ATOM 789 C LEU 99 9.499 14.223 34.288 1.00 0.00 ATOM 790 N VAL 100 9.669 14.097 35.589 1.00 0.00 ATOM 791 CA VAL 100 10.962 13.703 36.179 1.00 0.00 ATOM 792 CB VAL 100 11.318 14.578 37.396 1.00 0.00 ATOM 793 CG1 VAL 100 11.319 16.049 37.012 1.00 0.00 ATOM 794 CG2 VAL 100 10.342 14.327 38.536 1.00 0.00 ATOM 795 O VAL 100 9.863 11.640 36.707 1.00 0.00 ATOM 796 C VAL 100 10.931 12.230 36.599 1.00 0.00 ATOM 797 N GLN 101 12.071 11.711 37.004 1.00 0.00 ATOM 798 CA GLN 101 12.207 10.357 37.549 1.00 0.00 ATOM 799 CB GLN 101 13.663 10.044 37.867 1.00 0.00 ATOM 800 CG GLN 101 14.508 9.870 36.605 1.00 0.00 ATOM 801 CD GLN 101 15.865 9.232 36.927 1.00 0.00 ATOM 802 OE1 GLN 101 16.189 8.829 38.033 1.00 0.00 ATOM 803 NE2 GLN 101 16.650 9.072 35.900 1.00 0.00 ATOM 804 O GLN 101 11.102 11.276 39.492 1.00 0.00 ATOM 805 C GLN 101 11.383 10.270 38.836 1.00 0.00 ATOM 806 N LYS 102 10.928 9.058 39.105 1.00 0.00 ATOM 807 CA LYS 102 10.194 8.813 40.356 1.00 0.00 ATOM 808 CB LYS 102 9.817 7.347 40.451 1.00 0.00 ATOM 809 CG LYS 102 8.475 6.988 39.831 1.00 0.00 ATOM 810 CD LYS 102 8.335 5.482 39.605 1.00 0.00 ATOM 811 CE LYS 102 8.193 4.709 40.917 1.00 0.00 ATOM 812 NZ LYS 102 7.928 3.298 40.640 1.00 0.00 ATOM 813 O LYS 102 12.296 9.064 41.525 1.00 0.00 ATOM 814 C LYS 102 11.071 9.191 41.557 1.00 0.00 ATOM 815 N CYS 103 10.380 9.734 42.551 1.00 0.00 ATOM 816 CA CYS 103 11.012 10.143 43.803 1.00 0.00 ATOM 817 CB CYS 103 11.367 11.618 43.718 1.00 0.00 ATOM 818 SG CYS 103 9.906 12.712 43.542 1.00 0.00 ATOM 819 O CYS 103 8.860 9.636 44.788 1.00 0.00 ATOM 820 C CYS 103 10.038 9.963 44.969 1.00 0.00 ATOM 821 N GLU 104 10.567 10.254 46.148 1.00 0.00 ATOM 822 CA GLU 104 9.762 10.381 47.363 1.00 0.00 ATOM 823 CB GLU 104 10.401 9.696 48.579 1.00 0.00 ATOM 824 CG GLU 104 10.620 8.185 48.389 1.00 0.00 ATOM 825 CD GLU 104 11.933 7.809 47.676 1.00 0.00 ATOM 826 OE1 GLU 104 12.702 8.722 47.329 1.00 0.00 ATOM 827 OE2 GLU 104 12.136 6.588 47.503 1.00 0.00 ATOM 828 O GLU 104 10.365 12.732 47.312 1.00 0.00 ATOM 829 C GLU 104 9.569 11.872 47.664 1.00 0.00 ATOM 830 N VAL 105 8.386 12.153 48.200 1.00 0.00 ATOM 831 CA VAL 105 8.018 13.519 48.618 1.00 0.00 ATOM 832 CB VAL 105 6.613 13.905 48.118 1.00 0.00 ATOM 833 CG1 VAL 105 6.441 13.511 46.658 1.00 0.00 ATOM 834 CG2 VAL 105 5.543 13.245 48.975 1.00 0.00 ATOM 835 O VAL 105 8.131 14.853 50.622 1.00 0.00 ATOM 836 C VAL 105 8.048 13.721 50.139 1.00 0.00 ATOM 837 N ASN 106 7.775 12.628 50.842 1.00 0.00 ATOM 838 CA ASN 106 7.752 12.608 52.308 1.00 0.00 ATOM 839 CB ASN 106 6.365 12.207 52.813 1.00 0.00 ATOM 840 CG ASN 106 5.296 13.224 52.469 1.00 0.00 ATOM 841 ND2 ASN 106 4.110 12.711 52.351 1.00 0.00 ATOM 842 OD1 ASN 106 5.499 14.423 52.349 1.00 0.00 ATOM 843 O ASN 106 9.196 10.671 52.230 1.00 0.00 ATOM 844 C ASN 106 8.784 11.634 52.887 1.00 0.00 ATOM 845 N GLY 107 9.039 11.851 54.162 1.00 0.00 ATOM 846 CA GLY 107 10.000 11.079 54.954 1.00 0.00 ATOM 847 O GLY 107 11.768 12.315 53.881 1.00 0.00 ATOM 848 C GLY 107 11.456 11.485 54.722 1.00 0.00 ATOM 849 N GLN 108 12.331 10.687 55.322 1.00 0.00 ATOM 850 CA GLN 108 13.791 10.885 55.291 1.00 0.00 ATOM 851 CB GLN 108 14.491 9.851 56.178 1.00 0.00 ATOM 852 CG GLN 108 14.267 10.053 57.666 1.00 0.00 ATOM 853 CD GLN 108 14.944 8.986 58.505 1.00 0.00 ATOM 854 OE1 GLN 108 15.621 8.099 57.977 1.00 0.00 ATOM 855 NE2 GLN 108 14.762 9.062 59.817 1.00 0.00 ATOM 856 O GLN 108 15.594 11.186 53.798 1.00 0.00 ATOM 857 C GLN 108 14.430 10.811 53.913 1.00 0.00 ATOM 858 N ASN 109 13.764 10.180 52.953 1.00 0.00 ATOM 859 CA ASN 109 14.240 10.031 51.554 1.00 0.00 ATOM 860 CB ASN 109 14.070 8.607 51.058 1.00 0.00 ATOM 861 CG ASN 109 14.935 7.609 51.776 1.00 0.00 ATOM 862 ND2 ASN 109 14.297 6.637 52.378 1.00 0.00 ATOM 863 OD1 ASN 109 16.170 7.675 51.725 1.00 0.00 ATOM 864 O ASN 109 13.976 10.934 49.349 1.00 0.00 ATOM 865 C ASN 109 13.594 10.956 50.514 1.00 0.00 ATOM 866 N GLU 110 12.673 11.810 50.967 1.00 0.00 ATOM 867 CA GLU 110 12.113 12.862 50.109 1.00 0.00 ATOM 868 CB GLU 110 11.278 13.840 50.937 1.00 0.00 ATOM 869 CG GLU 110 12.060 14.583 52.012 1.00 0.00 ATOM 870 CD GLU 110 11.139 15.253 52.993 1.00 0.00 ATOM 871 OE1 GLU 110 9.951 15.067 52.887 1.00 0.00 ATOM 872 OE2 GLU 110 11.629 15.859 53.917 1.00 0.00 ATOM 873 O GLU 110 14.233 14.108 49.785 1.00 0.00 ATOM 874 C GLU 110 13.174 13.664 49.323 1.00 0.00 ATOM 875 N HIS 111 12.811 13.920 48.081 1.00 0.00 ATOM 876 CA HIS 111 13.626 14.763 47.204 1.00 0.00 ATOM 877 CB HIS 111 12.952 14.855 45.828 1.00 0.00 ATOM 878 CG HIS 111 13.899 15.449 44.776 1.00 0.00 ATOM 879 CD2 HIS 111 13.657 16.506 44.003 1.00 0.00 ATOM 880 ND1 HIS 111 15.123 15.027 44.473 1.00 0.00 ATOM 881 CE1 HIS 111 15.620 15.784 43.506 1.00 0.00 ATOM 882 NE2 HIS 111 14.731 16.718 43.248 1.00 0.00 ATOM 883 O HIS 111 12.697 16.626 48.392 1.00 0.00 ATOM 884 C HIS 111 13.718 16.147 47.887 1.00 0.00 ATOM 885 N PRO 112 14.892 16.793 47.897 1.00 0.00 ATOM 886 CA PRO 112 15.085 18.084 48.597 1.00 0.00 ATOM 887 CB PRO 112 16.458 18.554 48.168 1.00 0.00 ATOM 888 CG PRO 112 17.229 17.277 47.836 1.00 0.00 ATOM 889 CD PRO 112 16.155 16.369 47.254 1.00 0.00 ATOM 890 O PRO 112 13.670 19.960 49.001 1.00 0.00 ATOM 891 C PRO 112 14.074 19.152 48.183 1.00 0.00 ATOM 892 N VAL 113 13.611 19.093 46.924 1.00 0.00 ATOM 893 CA VAL 113 12.565 20.013 46.411 1.00 0.00 ATOM 894 CB VAL 113 12.111 19.638 44.982 1.00 0.00 ATOM 895 CG1 VAL 113 10.928 20.481 44.484 1.00 0.00 ATOM 896 CG2 VAL 113 13.262 19.688 43.971 1.00 0.00 ATOM 897 O VAL 113 10.790 21.011 47.724 1.00 0.00 ATOM 898 C VAL 113 11.329 19.988 47.329 1.00 0.00 ATOM 899 N PHE 114 10.814 18.771 47.461 1.00 0.00 ATOM 900 CA PHE 114 9.596 18.502 48.230 1.00 0.00 ATOM 901 CB PHE 114 9.083 17.098 47.950 1.00 0.00 ATOM 902 CG PHE 114 8.421 17.118 46.576 1.00 0.00 ATOM 903 CD1 PHE 114 9.186 16.951 45.433 1.00 0.00 ATOM 904 CD2 PHE 114 7.040 17.294 46.470 1.00 0.00 ATOM 905 CE1 PHE 114 8.568 16.951 44.192 1.00 0.00 ATOM 906 CE2 PHE 114 6.428 17.267 45.224 1.00 0.00 ATOM 907 CZ PHE 114 7.194 17.100 44.080 1.00 0.00 ATOM 908 O PHE 114 8.822 19.391 50.294 1.00 0.00 ATOM 909 C PHE 114 9.711 18.764 49.731 1.00 0.00 ATOM 910 N ALA 115 10.895 18.472 50.288 1.00 0.00 ATOM 911 CA ALA 115 11.223 18.843 51.677 1.00 0.00 ATOM 912 CB ALA 115 12.653 18.424 52.014 1.00 0.00 ATOM 913 O ALA 115 10.547 20.905 52.780 1.00 0.00 ATOM 914 C ALA 115 11.135 20.371 51.846 1.00 0.00 ATOM 915 N TYR 116 11.593 21.056 50.800 1.00 0.00 ATOM 916 CA TYR 116 11.562 22.529 50.753 1.00 0.00 ATOM 917 CB TYR 116 12.487 23.019 49.642 1.00 0.00 ATOM 918 CG TYR 116 13.970 22.762 49.841 1.00 0.00 ATOM 919 CD1 TYR 116 14.457 22.088 50.957 1.00 0.00 ATOM 920 CD2 TYR 116 14.860 23.243 48.904 1.00 0.00 ATOM 921 CE1 TYR 116 15.810 21.930 51.153 1.00 0.00 ATOM 922 CE2 TYR 116 16.220 23.089 49.121 1.00 0.00 ATOM 923 CZ TYR 116 16.700 22.436 50.237 1.00 0.00 ATOM 924 OH TYR 116 18.036 22.277 50.387 1.00 0.00 ATOM 925 O TYR 116 9.762 23.969 51.435 1.00 0.00 ATOM 926 C TYR 116 10.173 23.121 50.631 1.00 0.00 ATOM 927 N LEU 117 9.442 22.564 49.677 1.00 0.00 ATOM 928 CA LEU 117 8.063 22.990 49.389 1.00 0.00 ATOM 929 CB LEU 117 7.526 22.251 48.157 1.00 0.00 ATOM 930 CG LEU 117 8.176 22.647 46.825 1.00 0.00 ATOM 931 CD1 LEU 117 7.695 21.723 45.714 1.00 0.00 ATOM 932 CD2 LEU 117 7.838 24.096 46.505 1.00 0.00 ATOM 933 O LEU 117 6.442 23.616 51.050 1.00 0.00 ATOM 934 C LEU 117 7.172 22.743 50.605 1.00 0.00 ATOM 935 N LYS 118 7.356 21.613 51.253 1.00 0.00 ATOM 936 CA LYS 118 6.568 21.289 52.447 1.00 0.00 ATOM 937 CB LYS 118 6.942 19.885 52.877 1.00 0.00 ATOM 938 CG LYS 118 6.177 18.742 52.220 1.00 0.00 ATOM 939 CD LYS 118 6.301 17.503 53.095 1.00 0.00 ATOM 940 CE LYS 118 7.692 16.894 53.090 1.00 0.00 ATOM 941 NZ LYS 118 7.667 15.648 53.855 1.00 0.00 ATOM 942 O LYS 118 5.832 22.829 54.128 1.00 0.00 ATOM 943 C LYS 118 6.795 22.304 53.579 1.00 0.00 ATOM 944 N ASP 119 8.062 22.659 53.812 1.00 0.00 ATOM 945 CA ASP 119 8.418 23.612 54.884 1.00 0.00 ATOM 946 CB ASP 119 9.933 23.633 55.101 1.00 0.00 ATOM 947 CG ASP 119 10.486 22.396 55.793 1.00 0.00 ATOM 948 OD1 ASP 119 9.707 21.633 56.318 1.00 0.00 ATOM 949 OD2 ASP 119 11.658 22.138 55.659 1.00 0.00 ATOM 950 O ASP 119 7.391 25.741 55.432 1.00 0.00 ATOM 951 C ASP 119 7.919 25.027 54.574 1.00 0.00 ATOM 952 N LYS 120 8.043 25.395 53.301 1.00 0.00 ATOM 953 CA LYS 120 7.680 26.744 52.857 1.00 0.00 ATOM 954 CB LYS 120 8.186 26.994 51.435 1.00 0.00 ATOM 955 CG LYS 120 8.540 28.446 51.140 1.00 0.00 ATOM 956 CD LYS 120 7.292 29.293 50.947 1.00 0.00 ATOM 957 CE LYS 120 7.639 30.683 50.438 1.00 0.00 ATOM 958 NZ LYS 120 6.422 31.467 50.087 1.00 0.00 ATOM 959 O LYS 120 5.694 28.069 53.214 1.00 0.00 ATOM 960 C LYS 120 6.166 26.980 52.915 1.00 0.00 ATOM 961 N LEU 121 5.427 25.961 52.487 1.00 0.00 ATOM 962 CA LEU 121 3.964 26.057 52.391 1.00 0.00 ATOM 963 CB LEU 121 3.455 24.919 51.504 1.00 0.00 ATOM 964 CG LEU 121 3.638 25.167 49.996 1.00 0.00 ATOM 965 CD1 LEU 121 2.798 26.356 49.542 1.00 0.00 ATOM 966 CD2 LEU 121 5.054 25.472 49.520 1.00 0.00 ATOM 967 O LEU 121 3.755 25.058 54.501 1.00 0.00 ATOM 968 C LEU 121 3.369 25.973 53.791 1.00 0.00 ATOM 969 N PRO 122 2.348 26.769 54.076 1.00 0.00 ATOM 970 CA PRO 122 1.584 26.603 55.312 1.00 0.00 ATOM 971 CB PRO 122 1.153 28.059 55.575 1.00 0.00 ATOM 972 CG PRO 122 0.834 28.635 54.204 1.00 0.00 ATOM 973 CD PRO 122 1.932 27.984 53.351 1.00 0.00 ATOM 974 O PRO 122 -0.715 26.149 55.146 1.00 0.00 ATOM 975 C PRO 122 0.400 25.661 55.033 1.00 0.00 ATOM 976 N TYR 123 0.553 24.363 54.661 1.00 0.00 ATOM 977 CA TYR 123 -0.623 23.490 54.343 1.00 0.00 ATOM 978 CB TYR 123 -1.568 23.406 55.543 1.00 0.00 ATOM 979 CG TYR 123 -0.898 22.946 56.819 1.00 0.00 ATOM 980 CD1 TYR 123 -0.386 23.864 57.725 1.00 0.00 ATOM 981 CD2 TYR 123 -0.781 21.597 57.114 1.00 0.00 ATOM 982 CE1 TYR 123 0.226 23.449 58.893 1.00 0.00 ATOM 983 CE2 TYR 123 -0.172 21.171 58.277 1.00 0.00 ATOM 984 CZ TYR 123 0.332 22.101 59.165 1.00 0.00 ATOM 985 OH TYR 123 0.939 21.681 60.327 1.00 0.00 ATOM 986 O TYR 123 -1.307 25.130 52.737 1.00 0.00 ATOM 987 C TYR 123 -1.438 23.959 53.101 1.00 0.00 ATOM 988 N PRO 124 -2.277 23.144 52.427 1.00 0.00 ATOM 989 CA PRO 124 -3.093 23.646 51.298 1.00 0.00 ATOM 990 CB PRO 124 -3.985 22.481 50.876 1.00 0.00 ATOM 991 CG PRO 124 -3.234 21.252 51.360 1.00 0.00 ATOM 992 CD PRO 124 -2.519 21.704 52.630 1.00 0.00 ATOM 993 O PRO 124 -4.625 24.693 52.826 1.00 0.00 ATOM 994 C PRO 124 -3.994 24.781 51.766 1.00 0.00 ATOM 995 N TYR 125 -4.095 25.835 50.950 1.00 0.00 ATOM 996 CA TYR 125 -4.933 27.006 51.257 1.00 0.00 ATOM 997 CB TYR 125 -4.787 28.071 50.167 1.00 0.00 ATOM 998 CG TYR 125 -5.591 29.325 50.424 1.00 0.00 ATOM 999 CD1 TYR 125 -5.176 30.260 51.361 1.00 0.00 ATOM 1000 CD2 TYR 125 -6.765 29.571 49.727 1.00 0.00 ATOM 1001 CE1 TYR 125 -5.907 31.407 51.599 1.00 0.00 ATOM 1002 CE2 TYR 125 -7.505 30.715 49.955 1.00 0.00 ATOM 1003 CZ TYR 125 -7.073 31.631 50.892 1.00 0.00 ATOM 1004 OH TYR 125 -7.805 32.773 51.124 1.00 0.00 ATOM 1005 O TYR 125 -7.085 27.308 52.276 1.00 0.00 ATOM 1006 C TYR 125 -6.430 26.695 51.426 1.00 0.00 ATOM 1007 N ASP 126 -6.895 25.678 50.693 1.00 0.00 ATOM 1008 CA ASP 126 -8.316 25.310 50.630 1.00 0.00 ATOM 1009 CB ASP 126 -8.716 24.958 49.195 1.00 0.00 ATOM 1010 CG ASP 126 -8.589 26.110 48.207 1.00 0.00 ATOM 1011 OD1 ASP 126 -9.059 27.181 48.509 1.00 0.00 ATOM 1012 OD2 ASP 126 -7.890 25.956 47.232 1.00 0.00 ATOM 1013 O ASP 126 -9.874 23.817 51.696 1.00 0.00 ATOM 1014 C ASP 126 -8.696 24.137 51.545 1.00 0.00 ATOM 1015 N ASP 127 -7.701 23.459 52.088 1.00 0.00 ATOM 1016 CA ASP 127 -7.908 22.352 53.041 1.00 0.00 ATOM 1017 CB ASP 127 -8.096 21.029 52.295 1.00 0.00 ATOM 1018 CG ASP 127 -8.447 19.846 53.188 1.00 0.00 ATOM 1019 OD1 ASP 127 -8.425 20.004 54.386 1.00 0.00 ATOM 1020 OD2 ASP 127 -8.883 18.846 52.671 1.00 0.00 ATOM 1021 O ASP 127 -5.680 21.694 53.693 1.00 0.00 ATOM 1022 C ASP 127 -6.731 22.243 54.027 1.00 0.00 ATOM 1023 N PRO 128 -6.839 22.896 55.188 1.00 0.00 ATOM 1024 CA PRO 128 -5.757 22.904 56.191 1.00 0.00 ATOM 1025 CB PRO 128 -6.040 24.160 57.013 1.00 0.00 ATOM 1026 CG PRO 128 -7.554 24.271 57.000 1.00 0.00 ATOM 1027 CD PRO 128 -7.976 23.720 55.633 1.00 0.00 ATOM 1028 O PRO 128 -4.749 21.507 57.819 1.00 0.00 ATOM 1029 C PRO 128 -5.704 21.636 57.059 1.00 0.00 ATOM 1030 N PHE 129 -6.733 20.786 56.976 1.00 0.00 ATOM 1031 CA PHE 129 -6.894 19.656 57.915 1.00 0.00 ATOM 1032 CB PHE 129 -8.311 19.639 58.492 1.00 0.00 ATOM 1033 CG PHE 129 -8.620 20.816 59.373 1.00 0.00 ATOM 1034 CD1 PHE 129 -9.332 21.900 58.883 1.00 0.00 ATOM 1035 CD2 PHE 129 -8.197 20.842 60.694 1.00 0.00 ATOM 1036 CE1 PHE 129 -9.617 22.983 59.695 1.00 0.00 ATOM 1037 CE2 PHE 129 -8.480 21.922 61.507 1.00 0.00 ATOM 1038 CZ PHE 129 -9.192 22.994 61.006 1.00 0.00 ATOM 1039 O PHE 129 -5.964 17.466 58.100 1.00 0.00 ATOM 1040 C PHE 129 -6.626 18.231 57.392 1.00 0.00 ATOM 1041 N SER 130 -7.226 17.869 56.264 1.00 0.00 ATOM 1042 CA SER 130 -7.103 16.511 55.702 1.00 0.00 ATOM 1043 CB SER 130 -7.912 16.398 54.425 1.00 0.00 ATOM 1044 OG SER 130 -7.781 15.138 53.828 1.00 0.00 ATOM 1045 O SER 130 -4.832 16.746 54.785 1.00 0.00 ATOM 1046 C SER 130 -5.649 16.077 55.410 1.00 0.00 ATOM 1047 N LEU 131 -5.325 14.879 55.875 1.00 0.00 ATOM 1048 CA LEU 131 -4.017 14.272 55.558 1.00 0.00 ATOM 1049 CB LEU 131 -3.195 14.036 56.828 1.00 0.00 ATOM 1050 CG LEU 131 -1.803 13.410 56.573 1.00 0.00 ATOM 1051 CD1 LEU 131 -0.871 14.366 55.832 1.00 0.00 ATOM 1052 CD2 LEU 131 -1.159 12.970 57.883 1.00 0.00 ATOM 1053 O LEU 131 -3.913 12.980 53.517 1.00 0.00 ATOM 1054 C LEU 131 -4.205 13.006 54.714 1.00 0.00 ATOM 1055 N MET 132 -4.904 12.034 55.295 1.00 0.00 ATOM 1056 CA MET 132 -5.170 10.740 54.634 1.00 0.00 ATOM 1057 CB MET 132 -3.880 9.905 54.710 1.00 0.00 ATOM 1058 CG MET 132 -3.984 8.520 54.053 1.00 0.00 ATOM 1059 SD MET 132 -4.258 8.633 52.252 1.00 0.00 ATOM 1060 CE MET 132 -2.615 9.093 51.766 1.00 0.00 ATOM 1061 O MET 132 -6.599 10.175 56.500 1.00 0.00 ATOM 1062 C MET 132 -6.375 10.044 55.300 1.00 0.00 ATOM 1063 N THR 133 -7.247 9.463 54.487 1.00 0.00 ATOM 1064 CA THR 133 -8.432 8.782 55.039 1.00 0.00 ATOM 1065 CB THR 133 -9.539 8.626 53.980 1.00 0.00 ATOM 1066 CG2 THR 133 -10.741 7.903 54.567 1.00 0.00 ATOM 1067 OG1 THR 133 -9.944 9.918 53.513 1.00 0.00 ATOM 1068 O THR 133 -8.440 7.051 56.680 1.00 0.00 ATOM 1069 C THR 133 -8.046 7.408 55.585 1.00 0.00 ATOM 1070 N ASP 134 -7.344 6.642 54.765 1.00 0.00 ATOM 1071 CA ASP 134 -6.916 5.300 55.183 1.00 0.00 ATOM 1072 CB ASP 134 -6.976 4.326 54.002 1.00 0.00 ATOM 1073 CG ASP 134 -6.586 2.895 54.347 1.00 0.00 ATOM 1074 OD1 ASP 134 -6.172 2.663 55.457 1.00 0.00 ATOM 1075 OD2 ASP 134 -6.852 2.022 53.556 1.00 0.00 ATOM 1076 O ASP 134 -4.561 5.608 54.996 1.00 0.00 ATOM 1077 C ASP 134 -5.501 5.371 55.763 1.00 0.00 ATOM 1078 N PRO 135 -5.334 5.246 57.089 1.00 0.00 ATOM 1079 CA PRO 135 -4.003 5.333 57.722 1.00 0.00 ATOM 1080 CB PRO 135 -4.266 5.150 59.217 1.00 0.00 ATOM 1081 CG PRO 135 -5.695 5.682 59.359 1.00 0.00 ATOM 1082 CD PRO 135 -6.384 5.141 58.112 1.00 0.00 ATOM 1083 O PRO 135 -1.806 4.609 57.166 1.00 0.00 ATOM 1084 C PRO 135 -2.992 4.308 57.192 1.00 0.00 ATOM 1085 N LYS 136 -3.470 3.183 56.665 1.00 0.00 ATOM 1086 CA LYS 136 -2.591 2.175 56.008 1.00 0.00 ATOM 1087 CB LYS 136 -3.392 0.956 55.548 1.00 0.00 ATOM 1088 CG LYS 136 -3.901 0.163 56.753 1.00 0.00 ATOM 1089 CD LYS 136 -4.708 -1.036 56.268 1.00 0.00 ATOM 1090 CE LYS 136 -5.214 -1.873 57.443 1.00 0.00 ATOM 1091 NZ LYS 136 -5.992 -3.027 56.983 1.00 0.00 ATOM 1092 O LYS 136 -0.754 2.197 54.438 1.00 0.00 ATOM 1093 C LYS 136 -1.809 2.722 54.801 1.00 0.00 ATOM 1094 N LEU 137 -2.346 3.770 54.180 1.00 0.00 ATOM 1095 CA LEU 137 -1.668 4.432 53.056 1.00 0.00 ATOM 1096 CB LEU 137 -2.666 5.260 52.241 1.00 0.00 ATOM 1097 CG LEU 137 -3.763 4.425 51.571 1.00 0.00 ATOM 1098 CD1 LEU 137 -4.736 5.351 50.844 1.00 0.00 ATOM 1099 CD2 LEU 137 -3.179 3.430 50.574 1.00 0.00 ATOM 1100 O LEU 137 0.448 5.499 52.602 1.00 0.00 ATOM 1101 C LEU 137 -0.420 5.253 53.439 1.00 0.00 ATOM 1102 N ILE 138 -0.382 5.718 54.690 1.00 0.00 ATOM 1103 CA ILE 138 0.784 6.420 55.260 1.00 0.00 ATOM 1104 CB ILE 138 0.424 7.226 56.523 1.00 0.00 ATOM 1105 CG1 ILE 138 -0.657 8.274 56.197 1.00 0.00 ATOM 1106 CG2 ILE 138 1.673 7.909 57.093 1.00 0.00 ATOM 1107 CD1 ILE 138 -1.229 8.973 57.432 1.00 0.00 ATOM 1108 O ILE 138 1.894 4.740 56.606 1.00 0.00 ATOM 1109 C ILE 138 1.894 5.405 55.571 1.00 0.00 ATOM 1110 N ILE 139 2.855 5.367 54.665 1.00 0.00 ATOM 1111 CA ILE 139 3.905 4.345 54.691 1.00 0.00 ATOM 1112 CB ILE 139 3.905 3.503 53.401 1.00 0.00 ATOM 1113 CG1 ILE 139 4.191 4.388 52.185 1.00 0.00 ATOM 1114 CG2 ILE 139 2.578 2.780 53.238 1.00 0.00 ATOM 1115 CD1 ILE 139 4.450 3.614 50.914 1.00 0.00 ATOM 1116 O ILE 139 6.239 4.110 55.017 1.00 0.00 ATOM 1117 C ILE 139 5.317 4.892 54.875 1.00 0.00 ATOM 1118 N TRP 140 5.493 6.178 54.631 1.00 0.00 ATOM 1119 CA TRP 140 6.794 6.851 54.739 1.00 0.00 ATOM 1120 CB TRP 140 6.783 8.104 53.851 1.00 0.00 ATOM 1121 CG TRP 140 5.686 9.083 54.263 1.00 0.00 ATOM 1122 CD1 TRP 140 5.800 10.063 55.152 1.00 0.00 ATOM 1123 CD2 TRP 140 4.392 9.105 53.784 1.00 0.00 ATOM 1124 CE2 TRP 140 3.772 10.169 54.411 1.00 0.00 ATOM 1125 CE3 TRP 140 3.696 8.295 52.897 1.00 0.00 ATOM 1126 NE1 TRP 140 4.655 10.728 55.239 1.00 0.00 ATOM 1127 CZ2 TRP 140 2.444 10.452 54.144 1.00 0.00 ATOM 1128 CZ3 TRP 140 2.354 8.565 52.642 1.00 0.00 ATOM 1129 CH2 TRP 140 1.735 9.654 53.263 1.00 0.00 ATOM 1130 O TRP 140 6.274 7.109 57.090 1.00 0.00 ATOM 1131 C TRP 140 7.121 7.200 56.194 1.00 0.00 ATOM 1132 N SER 141 8.357 7.639 56.383 1.00 0.00 ATOM 1133 CA SER 141 8.857 8.025 57.709 1.00 0.00 ATOM 1134 CB SER 141 9.217 6.790 58.510 1.00 0.00 ATOM 1135 OG SER 141 9.745 7.113 59.769 1.00 0.00 ATOM 1136 O SER 141 10.921 8.837 56.764 1.00 0.00 ATOM 1137 C SER 141 10.072 8.963 57.651 1.00 0.00 ATOM 1138 N PRO 142 10.058 9.965 58.543 1.00 0.00 ATOM 1139 CA PRO 142 8.958 10.253 59.485 1.00 0.00 ATOM 1140 CB PRO 142 9.573 11.213 60.512 1.00 0.00 ATOM 1141 CG PRO 142 10.651 11.954 59.719 1.00 0.00 ATOM 1142 CD PRO 142 11.172 10.901 58.749 1.00 0.00 ATOM 1143 O PRO 142 7.877 11.358 57.632 1.00 0.00 ATOM 1144 C PRO 142 7.773 10.894 58.761 1.00 0.00 ATOM 1145 N VAL 143 6.651 10.852 59.438 1.00 0.00 ATOM 1146 CA VAL 143 5.409 11.552 59.053 1.00 0.00 ATOM 1147 CB VAL 143 4.189 10.704 59.497 1.00 0.00 ATOM 1148 CG1 VAL 143 2.849 11.341 59.099 1.00 0.00 ATOM 1149 CG2 VAL 143 4.269 9.288 58.922 1.00 0.00 ATOM 1150 O VAL 143 5.871 13.169 60.858 1.00 0.00 ATOM 1151 C VAL 143 5.420 12.935 59.724 1.00 0.00 ATOM 1152 N ARG 144 5.050 13.911 58.932 1.00 0.00 ATOM 1153 CA ARG 144 4.968 15.319 59.375 1.00 0.00 ATOM 1154 CB ARG 144 6.119 16.157 58.840 1.00 0.00 ATOM 1155 CG ARG 144 7.495 15.746 59.339 1.00 0.00 ATOM 1156 CD ARG 144 8.616 16.532 58.762 1.00 0.00 ATOM 1157 NE ARG 144 9.931 16.158 59.255 1.00 0.00 ATOM 1158 CZ ARG 144 11.089 16.714 58.847 1.00 0.00 ATOM 1159 NH1 ARG 144 11.102 17.638 57.912 1.00 0.00 ATOM 1160 NH2 ARG 144 12.214 16.287 59.394 1.00 0.00 ATOM 1161 O ARG 144 2.930 15.504 58.077 1.00 0.00 ATOM 1162 C ARG 144 3.622 15.909 59.011 1.00 0.00 ATOM 1163 N ARG 145 3.253 16.907 59.810 1.00 0.00 ATOM 1164 CA ARG 145 2.005 17.644 59.588 1.00 0.00 ATOM 1165 CB ARG 145 1.731 18.588 60.749 1.00 0.00 ATOM 1166 CG ARG 145 1.327 17.806 62.005 1.00 0.00 ATOM 1167 CD ARG 145 1.179 18.795 63.152 1.00 0.00 ATOM 1168 NE ARG 145 0.761 18.156 64.395 1.00 0.00 ATOM 1169 CZ ARG 145 0.681 18.786 65.556 1.00 0.00 ATOM 1170 NH1 ARG 145 0.912 20.084 65.708 1.00 0.00 ATOM 1171 NH2 ARG 145 0.444 18.094 66.648 1.00 0.00 ATOM 1172 O ARG 145 0.852 18.483 57.628 1.00 0.00 ATOM 1173 C ARG 145 1.912 18.362 58.228 1.00 0.00 ATOM 1174 N SER 146 3.064 18.760 57.712 1.00 0.00 ATOM 1175 CA SER 146 3.145 19.457 56.416 1.00 0.00 ATOM 1176 CB SER 146 4.274 20.470 56.438 1.00 0.00 ATOM 1177 OG SER 146 5.525 19.858 56.594 1.00 0.00 ATOM 1178 O SER 146 3.447 19.011 54.038 1.00 0.00 ATOM 1179 C SER 146 3.341 18.565 55.178 1.00 0.00 ATOM 1180 N ASP 147 3.247 17.273 55.425 1.00 0.00 ATOM 1181 CA ASP 147 3.497 16.266 54.389 1.00 0.00 ATOM 1182 CB ASP 147 3.384 14.855 54.973 1.00 0.00 ATOM 1183 CG ASP 147 4.630 14.377 55.705 1.00 0.00 ATOM 1184 OD1 ASP 147 5.583 15.116 55.765 1.00 0.00 ATOM 1185 OD2 ASP 147 4.567 13.344 56.329 1.00 0.00 ATOM 1186 O ASP 147 1.377 16.826 53.354 1.00 0.00 ATOM 1187 C ASP 147 2.534 16.420 53.213 1.00 0.00 ATOM 1188 N VAL 148 3.085 16.210 52.022 1.00 0.00 ATOM 1189 CA VAL 148 2.260 16.071 50.801 1.00 0.00 ATOM 1190 CB VAL 148 3.166 15.771 49.597 1.00 0.00 ATOM 1191 CG1 VAL 148 2.311 15.409 48.383 1.00 0.00 ATOM 1192 CG2 VAL 148 4.130 16.908 49.268 1.00 0.00 ATOM 1193 O VAL 148 1.699 13.834 51.498 1.00 0.00 ATOM 1194 C VAL 148 1.284 14.907 51.077 1.00 0.00 ATOM 1195 N ALA 149 0.008 15.141 50.790 1.00 0.00 ATOM 1196 CA ALA 149 -1.040 14.139 51.095 1.00 0.00 ATOM 1197 CB ALA 149 -2.330 14.888 51.455 1.00 0.00 ATOM 1198 O ALA 149 -1.725 11.964 50.293 1.00 0.00 ATOM 1199 C ALA 149 -1.307 13.091 50.005 1.00 0.00 ATOM 1200 N TRP 150 -1.147 13.507 48.753 1.00 0.00 ATOM 1201 CA TRP 150 -1.349 12.660 47.556 1.00 0.00 ATOM 1202 CB TRP 150 -2.846 12.568 47.215 1.00 0.00 ATOM 1203 CG TRP 150 -3.212 11.351 46.351 1.00 0.00 ATOM 1204 CD1 TRP 150 -3.256 11.294 45.026 1.00 0.00 ATOM 1205 CD2 TRP 150 -3.554 10.095 46.822 1.00 0.00 ATOM 1206 CE2 TRP 150 -3.781 9.308 45.697 1.00 0.00 ATOM 1207 CE3 TRP 150 -3.691 9.546 48.092 1.00 0.00 ATOM 1208 NE1 TRP 150 -3.589 10.067 44.626 1.00 0.00 ATOM 1209 CZ2 TRP 150 -4.149 7.980 45.837 1.00 0.00 ATOM 1210 CZ3 TRP 150 -4.069 8.210 48.227 1.00 0.00 ATOM 1211 CH2 TRP 150 -4.298 7.437 47.105 1.00 0.00 ATOM 1212 O TRP 150 -0.179 14.407 46.337 1.00 0.00 ATOM 1213 C TRP 150 -0.586 13.240 46.354 1.00 0.00 ATOM 1214 N ASN 151 -0.561 12.422 45.313 1.00 0.00 ATOM 1215 CA ASN 151 -0.003 12.718 43.988 1.00 0.00 ATOM 1216 CB ASN 151 0.097 11.467 43.134 1.00 0.00 ATOM 1217 CG ASN 151 0.968 10.397 43.731 1.00 0.00 ATOM 1218 ND2 ASN 151 0.382 9.247 43.950 1.00 0.00 ATOM 1219 OD1 ASN 151 2.176 10.585 43.920 1.00 0.00 ATOM 1220 O ASN 151 -0.395 14.488 42.379 1.00 0.00 ATOM 1221 C ASN 151 -0.847 13.805 43.260 1.00 0.00 ATOM 1222 N PHE 152 -2.028 14.152 43.735 1.00 0.00 ATOM 1223 CA PHE 152 -2.907 15.104 43.012 1.00 0.00 ATOM 1224 CB PHE 152 -4.309 14.523 42.889 1.00 0.00 ATOM 1225 CG PHE 152 -4.304 13.303 41.971 1.00 0.00 ATOM 1226 CD1 PHE 152 -5.089 12.233 42.335 1.00 0.00 ATOM 1227 CD2 PHE 152 -3.569 13.270 40.797 1.00 0.00 ATOM 1228 CE1 PHE 152 -5.170 11.121 41.514 1.00 0.00 ATOM 1229 CE2 PHE 152 -3.623 12.147 39.978 1.00 0.00 ATOM 1230 CZ PHE 152 -4.429 11.080 40.344 1.00 0.00 ATOM 1231 O PHE 152 -3.732 17.366 42.932 1.00 0.00 ATOM 1232 C PHE 152 -2.961 16.570 43.459 1.00 0.00 ATOM 1233 N GLU 153 -2.368 16.855 44.595 1.00 0.00 ATOM 1234 CA GLU 153 -2.264 18.249 45.082 1.00 0.00 ATOM 1235 CB GLU 153 -1.757 18.277 46.520 1.00 0.00 ATOM 1236 CG GLU 153 -2.641 17.473 47.455 1.00 0.00 ATOM 1237 CD GLU 153 -2.366 17.785 48.919 1.00 0.00 ATOM 1238 OE1 GLU 153 -1.179 17.667 49.299 1.00 0.00 ATOM 1239 OE2 GLU 153 -3.346 18.109 49.617 1.00 0.00 ATOM 1240 O GLU 153 -0.609 18.553 43.373 1.00 0.00 ATOM 1241 C GLU 153 -1.322 19.089 44.213 1.00 0.00 ATOM 1242 N LYS 154 -1.342 20.408 44.425 1.00 0.00 ATOM 1243 CA LYS 154 -0.549 21.348 43.593 1.00 0.00 ATOM 1244 CB LYS 154 -1.443 22.020 42.549 1.00 0.00 ATOM 1245 CG LYS 154 -2.181 21.053 41.634 1.00 0.00 ATOM 1246 CD LYS 154 -3.121 21.791 40.692 1.00 0.00 ATOM 1247 CE LYS 154 -4.325 22.349 41.436 1.00 0.00 ATOM 1248 NZ LYS 154 -5.208 21.271 41.956 1.00 0.00 ATOM 1249 O LYS 154 -0.304 23.014 45.332 1.00 0.00 ATOM 1250 C LYS 154 0.192 22.458 44.340 1.00 0.00 ATOM 1251 N PHE 155 1.307 22.830 43.736 1.00 0.00 ATOM 1252 CA PHE 155 2.136 23.983 44.152 1.00 0.00 ATOM 1253 CB PHE 155 3.485 23.504 44.691 1.00 0.00 ATOM 1254 CG PHE 155 3.372 22.482 45.786 1.00 0.00 ATOM 1255 CD1 PHE 155 3.102 21.155 45.492 1.00 0.00 ATOM 1256 CD2 PHE 155 3.535 22.847 47.114 1.00 0.00 ATOM 1257 CE1 PHE 155 2.999 20.213 46.498 1.00 0.00 ATOM 1258 CE2 PHE 155 3.432 21.909 48.123 1.00 0.00 ATOM 1259 CZ PHE 155 3.165 20.591 47.814 1.00 0.00 ATOM 1260 O PHE 155 2.742 24.534 41.885 1.00 0.00 ATOM 1261 C PHE 155 2.329 24.937 42.976 1.00 0.00 ATOM 1262 N LEU 156 1.934 26.175 43.218 1.00 0.00 ATOM 1263 CA LEU 156 2.063 27.268 42.248 1.00 0.00 ATOM 1264 CB LEU 156 0.771 28.095 42.206 1.00 0.00 ATOM 1265 CG LEU 156 0.725 29.178 41.122 1.00 0.00 ATOM 1266 CD1 LEU 156 0.922 28.553 39.749 1.00 0.00 ATOM 1267 CD2 LEU 156 -0.605 29.913 41.194 1.00 0.00 ATOM 1268 O LEU 156 3.349 28.682 43.715 1.00 0.00 ATOM 1269 C LEU 156 3.265 28.144 42.611 1.00 0.00 ATOM 1270 N ILE 157 4.188 28.217 41.667 1.00 0.00 ATOM 1271 CA ILE 157 5.441 28.984 41.840 1.00 0.00 ATOM 1272 CB ILE 157 6.688 28.088 41.693 1.00 0.00 ATOM 1273 CG1 ILE 157 6.647 26.977 42.761 1.00 0.00 ATOM 1274 CG2 ILE 157 7.988 28.904 41.821 1.00 0.00 ATOM 1275 CD1 ILE 157 7.740 25.917 42.632 1.00 0.00 ATOM 1276 O ILE 157 5.245 29.949 39.629 1.00 0.00 ATOM 1277 C ILE 157 5.468 30.139 40.828 1.00 0.00 ATOM 1278 N GLY 158 5.877 31.285 41.364 1.00 0.00 ATOM 1279 CA GLY 158 6.095 32.522 40.602 1.00 0.00 ATOM 1280 O GLY 158 8.184 31.576 39.814 1.00 0.00 ATOM 1281 C GLY 158 7.308 32.431 39.646 1.00 0.00 ATOM 1282 N PRO 159 7.422 33.364 38.686 1.00 0.00 ATOM 1283 CA PRO 159 8.545 33.461 37.732 1.00 0.00 ATOM 1284 CB PRO 159 8.259 34.707 36.903 1.00 0.00 ATOM 1285 CG PRO 159 6.772 34.965 37.053 1.00 0.00 ATOM 1286 CD PRO 159 6.418 34.414 38.421 1.00 0.00 ATOM 1287 O PRO 159 10.928 33.309 37.779 1.00 0.00 ATOM 1288 C PRO 159 9.918 33.631 38.397 1.00 0.00 ATOM 1289 N GLU 160 9.944 34.118 39.633 1.00 0.00 ATOM 1290 CA GLU 160 11.196 34.304 40.406 1.00 0.00 ATOM 1291 CB GLU 160 11.085 35.526 41.320 1.00 0.00 ATOM 1292 CG GLU 160 10.987 36.855 40.586 1.00 0.00 ATOM 1293 CD GLU 160 10.838 38.001 41.547 1.00 0.00 ATOM 1294 OE1 GLU 160 10.809 37.759 42.730 1.00 0.00 ATOM 1295 OE2 GLU 160 10.866 39.127 41.108 1.00 0.00 ATOM 1296 O GLU 160 12.600 33.117 41.983 1.00 0.00 ATOM 1297 C GLU 160 11.607 33.093 41.264 1.00 0.00 ATOM 1298 N GLY 161 10.839 32.010 41.188 1.00 0.00 ATOM 1299 CA GLY 161 11.137 30.766 41.927 1.00 0.00 ATOM 1300 O GLY 161 10.827 29.781 44.104 1.00 0.00 ATOM 1301 C GLY 161 10.571 30.726 43.352 1.00 0.00 ATOM 1302 N GLU 162 9.789 31.736 43.707 1.00 0.00 ATOM 1303 CA GLU 162 9.104 31.782 45.001 1.00 0.00 ATOM 1304 CB GLU 162 8.871 33.232 45.433 1.00 0.00 ATOM 1305 CG GLU 162 8.201 33.385 46.791 1.00 0.00 ATOM 1306 CD GLU 162 8.001 34.832 47.142 1.00 0.00 ATOM 1307 OE1 GLU 162 8.359 35.670 46.350 1.00 0.00 ATOM 1308 OE2 GLU 162 7.389 35.099 48.150 1.00 0.00 ATOM 1309 O GLU 162 6.943 31.262 44.052 1.00 0.00 ATOM 1310 C GLU 162 7.774 31.021 44.924 1.00 0.00 ATOM 1311 N PRO 163 7.598 30.049 45.836 1.00 0.00 ATOM 1312 CA PRO 163 6.323 29.341 45.975 1.00 0.00 ATOM 1313 CB PRO 163 6.591 28.228 46.984 1.00 0.00 ATOM 1314 CG PRO 163 7.826 28.692 47.754 1.00 0.00 ATOM 1315 CD PRO 163 8.601 29.593 46.815 1.00 0.00 ATOM 1316 O PRO 163 5.485 31.062 47.414 1.00 0.00 ATOM 1317 C PRO 163 5.265 30.344 46.451 1.00 0.00 ATOM 1318 N PHE 164 4.153 30.365 45.719 1.00 0.00 ATOM 1319 CA PHE 164 3.063 31.340 45.934 1.00 0.00 ATOM 1320 CB PHE 164 2.671 31.949 44.575 1.00 0.00 ATOM 1321 CG PHE 164 1.506 32.937 44.693 1.00 0.00 ATOM 1322 CD1 PHE 164 1.725 34.220 45.156 1.00 0.00 ATOM 1323 CD2 PHE 164 0.210 32.547 44.351 1.00 0.00 ATOM 1324 CE1 PHE 164 0.670 35.106 45.307 1.00 0.00 ATOM 1325 CE2 PHE 164 -0.851 33.429 44.480 1.00 0.00 ATOM 1326 CZ PHE 164 -0.627 34.716 44.965 1.00 0.00 ATOM 1327 O PHE 164 1.321 31.210 47.642 1.00 0.00 ATOM 1328 C PHE 164 1.828 30.736 46.626 1.00 0.00 ATOM 1329 N ARG 165 1.389 29.590 46.157 1.00 0.00 ATOM 1330 CA ARG 165 0.173 28.997 46.727 1.00 0.00 ATOM 1331 CB ARG 165 -1.093 29.600 46.135 1.00 0.00 ATOM 1332 CG ARG 165 -2.332 29.468 47.005 1.00 0.00 ATOM 1333 CD ARG 165 -2.288 30.263 48.258 1.00 0.00 ATOM 1334 NE ARG 165 -2.111 31.693 48.059 1.00 0.00 ATOM 1335 CZ ARG 165 -3.105 32.553 47.762 1.00 0.00 ATOM 1336 NH1 ARG 165 -4.338 32.131 47.595 1.00 0.00 ATOM 1337 NH2 ARG 165 -2.802 33.832 47.623 1.00 0.00 ATOM 1338 O ARG 165 0.849 26.912 45.752 1.00 0.00 ATOM 1339 C ARG 165 0.163 27.482 46.601 1.00 0.00 ATOM 1340 N ARG 166 -0.486 26.873 47.581 1.00 0.00 ATOM 1341 CA ARG 166 -0.687 25.419 47.588 1.00 0.00 ATOM 1342 CB ARG 166 0.042 24.745 48.742 1.00 0.00 ATOM 1343 CG ARG 166 -0.311 23.281 48.951 1.00 0.00 ATOM 1344 CD ARG 166 0.474 22.609 50.018 1.00 0.00 ATOM 1345 NE ARG 166 0.117 21.218 50.244 1.00 0.00 ATOM 1346 CZ ARG 166 0.757 20.391 51.096 1.00 0.00 ATOM 1347 NH1 ARG 166 1.807 20.799 51.774 1.00 0.00 ATOM 1348 NH2 ARG 166 0.315 19.152 51.213 1.00 0.00 ATOM 1349 O ARG 166 -2.930 25.726 48.368 1.00 0.00 ATOM 1350 C ARG 166 -2.181 25.140 47.584 1.00 0.00 ATOM 1351 N TYR 167 -2.505 24.096 46.849 1.00 0.00 ATOM 1352 CA TYR 167 -3.896 23.653 46.687 1.00 0.00 ATOM 1353 CB TYR 167 -4.368 23.840 45.249 1.00 0.00 ATOM 1354 CG TYR 167 -4.201 25.293 44.822 1.00 0.00 ATOM 1355 CD1 TYR 167 -5.189 26.230 45.099 1.00 0.00 ATOM 1356 CD2 TYR 167 -3.006 25.679 44.234 1.00 0.00 ATOM 1357 CE1 TYR 167 -4.976 27.557 44.783 1.00 0.00 ATOM 1358 CE2 TYR 167 -2.796 27.013 43.913 1.00 0.00 ATOM 1359 CZ TYR 167 -3.782 27.943 44.195 1.00 0.00 ATOM 1360 OH TYR 167 -3.492 29.263 44.109 1.00 0.00 ATOM 1361 O TYR 167 -3.232 21.377 46.476 1.00 0.00 ATOM 1362 C TYR 167 -4.002 22.175 47.021 1.00 0.00 ATOM 1363 N SER 168 -5.099 21.872 47.697 1.00 0.00 ATOM 1364 CA SER 168 -5.368 20.520 48.202 1.00 0.00 ATOM 1365 CB SER 168 -6.510 20.553 49.199 1.00 0.00 ATOM 1366 OG SER 168 -7.731 20.871 48.590 1.00 0.00 ATOM 1367 O SER 168 -6.031 19.877 45.966 1.00 0.00 ATOM 1368 C SER 168 -5.691 19.523 47.096 1.00 0.00 ATOM 1369 N ARG 169 -5.777 18.275 47.547 1.00 0.00 ATOM 1370 CA ARG 169 -6.179 17.115 46.721 1.00 0.00 ATOM 1371 CB ARG 169 -6.240 15.828 47.530 1.00 0.00 ATOM 1372 CG ARG 169 -6.611 14.588 46.732 1.00 0.00 ATOM 1373 CD ARG 169 -6.553 13.322 47.506 1.00 0.00 ATOM 1374 NE ARG 169 -7.034 12.153 46.788 1.00 0.00 ATOM 1375 CZ ARG 169 -7.117 10.913 47.310 1.00 0.00 ATOM 1376 NH1 ARG 169 -6.717 10.668 48.537 1.00 0.00 ATOM 1377 NH2 ARG 169 -7.589 9.944 46.545 1.00 0.00 ATOM 1378 O ARG 169 -7.748 16.623 44.974 1.00 0.00 ATOM 1379 C ARG 169 -7.500 17.319 45.962 1.00 0.00 ATOM 1380 N THR 170 -8.395 18.043 46.618 1.00 0.00 ATOM 1381 CA THR 170 -9.785 18.241 46.148 1.00 0.00 ATOM 1382 CB THR 170 -10.740 18.436 47.313 1.00 0.00 ATOM 1383 CG2 THR 170 -10.672 17.212 48.197 1.00 0.00 ATOM 1384 OG1 THR 170 -10.358 19.595 48.054 1.00 0.00 ATOM 1385 O THR 170 -11.094 19.650 44.732 1.00 0.00 ATOM 1386 C THR 170 -10.002 19.453 45.270 1.00 0.00 ATOM 1387 N PHE 171 -9.015 20.336 45.299 1.00 0.00 ATOM 1388 CA PHE 171 -9.079 21.586 44.532 1.00 0.00 ATOM 1389 CB PHE 171 -8.133 22.599 45.182 1.00 0.00 ATOM 1390 CG PHE 171 -8.299 23.937 44.454 1.00 0.00 ATOM 1391 CD1 PHE 171 -9.376 24.753 44.758 1.00 0.00 ATOM 1392 CD2 PHE 171 -7.375 24.338 43.509 1.00 0.00 ATOM 1393 CE1 PHE 171 -9.524 25.989 44.141 1.00 0.00 ATOM 1394 CE2 PHE 171 -7.549 25.576 42.917 1.00 0.00 ATOM 1395 CZ PHE 171 -8.587 26.409 43.216 1.00 0.00 ATOM 1396 O PHE 171 -7.533 20.937 42.860 1.00 0.00 ATOM 1397 C PHE 171 -8.689 21.289 43.080 1.00 0.00 ATOM 1398 N PRO 172 -9.611 21.278 42.118 1.00 0.00 ATOM 1399 CA PRO 172 -9.316 20.925 40.720 1.00 0.00 ATOM 1400 CB PRO 172 -10.598 21.257 39.962 1.00 0.00 ATOM 1401 CG PRO 172 -11.664 20.930 41.001 1.00 0.00 ATOM 1402 CD PRO 172 -11.060 21.479 42.291 1.00 0.00 ATOM 1403 O PRO 172 -8.060 22.946 40.400 1.00 0.00 ATOM 1404 C PRO 172 -8.163 21.753 40.139 1.00 0.00 ATOM 1405 N THR 173 -7.344 21.085 39.330 1.00 0.00 ATOM 1406 CA THR 173 -6.265 21.758 38.574 1.00 0.00 ATOM 1407 CB THR 173 -5.525 20.791 37.632 1.00 0.00 ATOM 1408 CG2 THR 173 -4.421 21.479 36.836 1.00 0.00 ATOM 1409 OG1 THR 173 -4.904 19.802 38.436 1.00 0.00 ATOM 1410 O THR 173 -6.228 24.018 37.827 1.00 0.00 ATOM 1411 C THR 173 -6.796 22.940 37.752 1.00 0.00 ATOM 1412 N ILE 174 -7.934 22.759 37.111 1.00 0.00 ATOM 1413 CA ILE 174 -8.477 23.834 36.257 1.00 0.00 ATOM 1414 CB ILE 174 -9.633 23.345 35.381 1.00 0.00 ATOM 1415 CG1 ILE 174 -9.810 24.359 34.243 1.00 0.00 ATOM 1416 CG2 ILE 174 -10.925 23.155 36.192 1.00 0.00 ATOM 1417 CD1 ILE 174 -10.687 23.841 33.108 1.00 0.00 ATOM 1418 O ILE 174 -8.636 26.207 36.595 1.00 0.00 ATOM 1419 C ILE 174 -8.848 25.092 37.055 1.00 0.00 ATOM 1420 N ASN 175 -9.272 24.904 38.292 1.00 0.00 ATOM 1421 CA ASN 175 -9.691 26.033 39.154 1.00 0.00 ATOM 1422 CB ASN 175 -10.386 25.543 40.411 1.00 0.00 ATOM 1423 CG ASN 175 -11.767 25.002 40.168 1.00 0.00 ATOM 1424 ND2 ASN 175 -12.271 24.284 41.140 1.00 0.00 ATOM 1425 OD1 ASN 175 -12.398 25.290 39.145 1.00 0.00 ATOM 1426 O ASN 175 -8.881 28.024 40.171 1.00 0.00 ATOM 1427 C ASN 175 -8.589 26.990 39.584 1.00 0.00 ATOM 1428 N ILE 176 -7.336 26.554 39.436 1.00 0.00 ATOM 1429 CA ILE 176 -6.160 27.414 39.715 1.00 0.00 ATOM 1430 CB ILE 176 -4.880 26.578 39.893 1.00 0.00 ATOM 1431 CG1 ILE 176 -3.847 27.354 40.717 1.00 0.00 ATOM 1432 CG2 ILE 176 -4.304 26.192 38.539 1.00 0.00 ATOM 1433 CD1 ILE 176 -2.587 26.569 41.010 1.00 0.00 ATOM 1434 O ILE 176 -4.948 29.254 38.747 1.00 0.00 ATOM 1435 C ILE 176 -5.888 28.463 38.619 1.00 0.00 ATOM 1436 N GLU 177 -6.477 28.255 37.438 1.00 0.00 ATOM 1437 CA GLU 177 -6.183 29.092 36.258 1.00 0.00 ATOM 1438 CB GLU 177 -7.116 28.731 35.100 1.00 0.00 ATOM 1439 CG GLU 177 -7.028 29.670 33.906 1.00 0.00 ATOM 1440 CD GLU 177 -7.932 29.223 32.792 1.00 0.00 ATOM 1441 OE1 GLU 177 -8.576 28.212 32.942 1.00 0.00 ATOM 1442 OE2 GLU 177 -8.069 29.951 31.836 1.00 0.00 ATOM 1443 O GLU 177 -5.392 31.332 36.060 1.00 0.00 ATOM 1444 C GLU 177 -6.285 30.608 36.500 1.00 0.00 ATOM 1445 N PRO 178 -7.335 31.107 37.183 1.00 0.00 ATOM 1446 CA PRO 178 -7.460 32.547 37.447 1.00 0.00 ATOM 1447 CB PRO 178 -8.698 32.638 38.305 1.00 0.00 ATOM 1448 CG PRO 178 -9.579 31.492 37.842 1.00 0.00 ATOM 1449 CD PRO 178 -8.538 30.396 37.661 1.00 0.00 ATOM 1450 O PRO 178 -5.672 34.115 37.801 1.00 0.00 ATOM 1451 C PRO 178 -6.243 33.104 38.215 1.00 0.00 ATOM 1452 N ASP 179 -5.808 32.349 39.213 1.00 0.00 ATOM 1453 CA ASP 179 -4.630 32.699 40.037 1.00 0.00 ATOM 1454 CB ASP 179 -4.487 31.760 41.238 1.00 0.00 ATOM 1455 CG ASP 179 -5.520 31.995 42.346 1.00 0.00 ATOM 1456 OD1 ASP 179 -6.113 33.094 42.357 1.00 0.00 ATOM 1457 OD2 ASP 179 -5.652 31.125 43.216 1.00 0.00 ATOM 1458 O ASP 179 -2.508 33.610 39.359 1.00 0.00 ATOM 1459 C ASP 179 -3.315 32.691 39.244 1.00 0.00 ATOM 1460 N ILE 180 -3.191 31.715 38.341 1.00 0.00 ATOM 1461 CA ILE 180 -1.996 31.607 37.475 1.00 0.00 ATOM 1462 CB ILE 180 -2.031 30.328 36.618 1.00 0.00 ATOM 1463 CG1 ILE 180 -1.787 29.094 37.490 1.00 0.00 ATOM 1464 CG2 ILE 180 -1.002 30.409 35.501 1.00 0.00 ATOM 1465 CD1 ILE 180 -1.920 27.786 36.745 1.00 0.00 ATOM 1466 O ILE 180 -0.825 33.438 36.445 1.00 0.00 ATOM 1467 C ILE 180 -1.886 32.832 36.562 1.00 0.00 ATOM 1468 N LYS 181 -2.954 33.040 35.801 1.00 0.00 ATOM 1469 CA LYS 181 -3.028 34.135 34.824 1.00 0.00 ATOM 1470 CB LYS 181 -4.425 34.206 34.204 1.00 0.00 ATOM 1471 CG LYS 181 -4.590 35.293 33.149 1.00 0.00 ATOM 1472 CD LYS 181 -5.979 35.254 32.529 1.00 0.00 ATOM 1473 CE LYS 181 -6.158 36.363 31.501 1.00 0.00 ATOM 1474 NZ LYS 181 -7.509 36.335 30.883 1.00 0.00 ATOM 1475 O LYS 181 -1.949 36.272 34.869 1.00 0.00 ATOM 1476 C LYS 181 -2.668 35.474 35.475 1.00 0.00 ATOM 1477 N ARG 182 -3.198 35.701 36.675 1.00 0.00 ATOM 1478 CA ARG 182 -2.920 36.938 37.440 1.00 0.00 ATOM 1479 CB ARG 182 -3.670 36.983 38.768 1.00 0.00 ATOM 1480 CG ARG 182 -5.144 37.230 38.526 1.00 0.00 ATOM 1481 CD ARG 182 -5.951 37.230 39.810 1.00 0.00 ATOM 1482 NE ARG 182 -7.384 37.485 39.567 1.00 0.00 ATOM 1483 CZ ARG 182 -8.301 37.496 40.536 1.00 0.00 ATOM 1484 NH1 ARG 182 -7.985 37.215 41.778 1.00 0.00 ATOM 1485 NH2 ARG 182 -9.582 37.718 40.256 1.00 0.00 ATOM 1486 O ARG 182 -0.900 38.209 37.524 1.00 0.00 ATOM 1487 C ARG 182 -1.427 37.122 37.726 1.00 0.00 ATOM 1488 N LEU 183 -0.758 36.021 38.092 1.00 0.00 ATOM 1489 CA LEU 183 0.693 36.017 38.322 1.00 0.00 ATOM 1490 CB LEU 183 1.121 34.705 38.995 1.00 0.00 ATOM 1491 CG LEU 183 0.652 34.534 40.446 1.00 0.00 ATOM 1492 CD1 LEU 183 0.974 33.128 40.935 1.00 0.00 ATOM 1493 CD2 LEU 183 1.326 35.578 41.324 1.00 0.00 ATOM 1494 O LEU 183 2.464 36.956 36.991 1.00 0.00 ATOM 1495 C LEU 183 1.493 36.217 37.030 1.00 0.00 ATOM 1496 N LEU 184 1.099 35.483 36.005 1.00 0.00 ATOM 1497 CA LEU 184 1.731 35.610 34.680 1.00 0.00 ATOM 1498 CB LEU 184 1.066 34.655 33.681 1.00 0.00 ATOM 1499 CG LEU 184 1.341 33.165 33.920 1.00 0.00 ATOM 1500 CD1 LEU 184 0.487 32.320 32.983 1.00 0.00 ATOM 1501 CD2 LEU 184 2.820 32.881 33.704 1.00 0.00 ATOM 1502 O LEU 184 2.664 37.498 33.595 1.00 0.00 ATOM 1503 C LEU 184 1.668 37.042 34.154 1.00 0.00 ATOM 1504 N LYS 185 0.510 37.684 34.337 1.00 0.00 ATOM 1505 CA LYS 185 0.316 39.106 33.987 1.00 0.00 ATOM 1506 CB LYS 185 -1.135 39.479 34.324 1.00 0.00 ATOM 1507 CG LYS 185 -1.538 40.853 33.793 1.00 0.00 ATOM 1508 CD LYS 185 -2.994 41.172 34.131 1.00 0.00 ATOM 1509 CE LYS 185 -3.294 42.609 33.751 1.00 0.00 ATOM 1510 NZ LYS 185 -4.690 42.898 34.076 1.00 0.00 ATOM 1511 O LYS 185 2.125 39.511 35.537 1.00 0.00 ATOM 1512 C LYS 185 1.330 40.022 34.711 1.00 0.00 ENDMDL EXPDTA 2he3A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2he3A ATOM 1 N MET A 1 19.521 21.955 55.002 1.00 0.00 ATOM 2 CA MET A 1 18.789 21.002 54.112 1.00 0.00 ATOM 3 CB MET A 1 17.768 20.177 54.920 1.00 0.00 ATOM 4 O MET A 1 18.394 21.492 51.794 1.00 0.00 ATOM 5 C MET A 1 18.083 21.736 52.959 1.00 0.00 ATOM 6 N ILE A 2 17.167 22.648 53.299 1.00 0.00 ATOM 7 CA ILE A 2 16.236 23.302 52.346 1.00 0.00 ATOM 8 CB ILE A 2 15.086 24.088 53.125 1.00 0.00 ATOM 9 CG1 ILE A 2 14.311 23.173 54.090 1.00 0.00 ATOM 10 CG2 ILE A 2 14.118 24.761 52.191 1.00 0.00 ATOM 11 CD1 ILE A 2 13.759 21.939 53.440 1.00 0.00 ATOM 12 O ILE A 2 17.865 25.034 51.891 1.00 0.00 ATOM 13 C ILE A 2 16.995 24.286 51.426 1.00 0.00 ATOM 14 N ALA A 3 16.671 24.288 50.131 1.00 0.00 ATOM 15 CA ALA A 3 17.297 25.238 49.185 1.00 0.00 ATOM 16 CB ALA A 3 16.770 25.028 47.746 1.00 0.00 ATOM 17 O ALA A 3 15.953 26.995 50.128 1.00 0.00 ATOM 18 C ALA A 3 17.037 26.674 49.633 1.00 0.00 ATOM 19 N LYS A 4 18.012 27.547 49.439 1.00 0.00 ATOM 20 CA LYS A 4 17.808 28.956 49.745 1.00 0.00 ATOM 21 CB LYS A 4 19.160 29.695 49.853 1.00 0.00 ATOM 22 CG LYS A 4 20.104 29.150 50.942 1.00 0.00 ATOM 23 CD LYS A 4 19.497 29.225 52.354 1.00 0.00 ATOM 24 CE LYS A 4 20.433 28.622 53.403 1.00 0.00 ATOM 25 NZ LYS A 4 20.022 28.968 54.800 1.00 0.00 ATOM 26 O LYS A 4 16.047 30.393 49.003 1.00 0.00 ATOM 27 C LYS A 4 16.912 29.597 48.681 1.00 0.00 ATOM 28 N SER A 5 17.096 29.227 47.419 1.00 0.00 ATOM 29 CA SER A 5 16.256 29.728 46.332 1.00 0.00 ATOM 30 CB SER A 5 17.092 30.577 45.346 1.00 0.00 ATOM 31 OG SER A 5 16.345 30.984 44.193 1.00 0.00 ATOM 32 O SER A 5 16.164 27.496 45.425 1.00 0.00 ATOM 33 C SER A 5 15.585 28.579 45.609 1.00 0.00 ATOM 34 N PHE A 6 14.342 28.822 45.195 1.00 0.00 ATOM 35 CA PHE A 6 13.640 27.957 44.261 1.00 0.00 ATOM 36 CB PHE A 6 12.340 28.649 43.846 1.00 0.00 ATOM 37 CG PHE A 6 11.554 27.908 42.837 1.00 0.00 ATOM 38 CD1 PHE A 6 10.890 26.741 43.175 1.00 0.00 ATOM 39 CD2 PHE A 6 11.438 28.385 41.540 1.00 0.00 ATOM 40 CE1 PHE A 6 10.132 26.052 42.228 1.00 0.00 ATOM 41 CE2 PHE A 6 10.668 27.698 40.606 1.00 0.00 ATOM 42 CZ PHE A 6 10.025 26.527 40.953 1.00 0.00 ATOM 43 O PHE A 6 14.564 26.491 42.579 1.00 0.00 ATOM 44 C PHE A 6 14.525 27.628 43.037 1.00 0.00 ATOM 45 N TYR A 7 15.272 28.620 42.552 1.00 0.00 ATOM 46 CA TYR A 7 16.075 28.468 41.348 1.00 0.00 ATOM 47 CB TYR A 7 16.431 29.842 40.790 1.00 0.00 ATOM 48 CG TYR A 7 15.220 30.635 40.426 1.00 0.00 ATOM 49 CD1 TYR A 7 14.247 30.099 39.590 1.00 0.00 ATOM 50 CD2 TYR A 7 15.026 31.932 40.918 1.00 0.00 ATOM 51 CE1 TYR A 7 13.115 30.814 39.273 1.00 0.00 ATOM 52 CE2 TYR A 7 13.876 32.679 40.574 1.00 0.00 ATOM 53 CZ TYR A 7 12.938 32.102 39.757 1.00 0.00 ATOM 54 OH TYR A 7 11.821 32.804 39.372 1.00 0.00 ATOM 55 O TYR A 7 17.920 27.221 40.550 1.00 0.00 ATOM 56 C TYR A 7 17.332 27.607 41.536 1.00 0.00 ATOM 57 N ASP A 8 17.684 27.267 42.785 1.00 0.00 ATOM 58 CA ASP A 8 18.806 26.374 43.100 1.00 0.00 ATOM 59 CB ASP A 8 19.273 26.559 44.549 1.00 0.00 ATOM 60 CG ASP A 8 19.844 27.928 44.817 1.00 0.00 ATOM 61 OD1 ASP A 8 20.309 28.556 43.868 1.00 0.00 ATOM 62 OD2 ASP A 8 19.802 28.380 45.978 1.00 0.00 ATOM 63 O ASP A 8 19.279 24.035 43.004 1.00 0.00 ATOM 64 C ASP A 8 18.424 24.911 42.946 1.00 0.00 ATOM 65 N LEU A 9 17.146 24.644 42.747 1.00 0.00 ATOM 66 CA LEU A 9 16.680 23.290 42.643 1.00 0.00 ATOM 67 CB LEU A 9 15.206 23.189 43.054 1.00 0.00 ATOM 68 CG LEU A 9 14.769 23.596 44.477 1.00 0.00 ATOM 69 CD1 LEU A 9 13.234 23.891 44.547 1.00 0.00 ATOM 70 CD2 LEU A 9 15.187 22.535 45.487 1.00 0.00 ATOM 71 O LEU A 9 17.211 23.396 40.297 1.00 0.00 ATOM 72 C LEU A 9 16.897 22.700 41.256 1.00 0.00 ATOM 73 N SER A 10 16.754 21.377 41.183 1.00 0.00 ATOM 74 CA SER A 10 16.778 20.680 39.933 1.00 0.00 ATOM 75 CB SER A 10 18.217 20.460 39.457 1.00 0.00 ATOM 76 OG SER A 10 18.928 19.585 40.350 1.00 0.00 ATOM 77 O SER A 10 15.824 18.882 41.213 1.00 0.00 ATOM 78 C SER A 10 16.129 19.330 40.105 1.00 0.00 ATOM 79 N ALA A 11 15.943 18.677 38.979 1.00 0.00 ATOM 80 CA ALA A 11 15.288 17.390 38.911 1.00 0.00 ATOM 81 CB ALA A 11 13.786 17.593 38.826 1.00 0.00 ATOM 82 O ALA A 11 16.501 17.301 36.842 1.00 0.00 ATOM 83 C ALA A 11 15.834 16.681 37.668 1.00 0.00 ATOM 84 N ILE A 12 15.608 15.377 37.575 1.00 0.00 ATOM 85 CA ILE A 12 15.985 14.588 36.419 1.00 0.00 ATOM 86 CB ILE A 12 16.831 13.335 36.814 1.00 0.00 ATOM 87 CG1 ILE A 12 17.955 13.684 37.776 1.00 0.00 ATOM 88 CG2 ILE A 12 17.402 12.648 35.569 1.00 0.00 ATOM 89 CD1 ILE A 12 18.917 14.719 37.244 1.00 0.00 ATOM 90 O ILE A 12 13.791 13.571 36.295 1.00 0.00 ATOM 91 C ILE A 12 14.701 14.154 35.695 1.00 0.00 ATOM 92 N ASN A 13 14.597 14.467 34.413 1.00 0.00 ATOM 93 CA ASN A 13 13.448 13.993 33.644 1.00 0.00 ATOM 94 CB ASN A 13 13.121 14.908 32.445 1.00 0.00 ATOM 95 CG ASN A 13 14.101 14.782 31.297 1.00 0.00 ATOM 96 ND2 ASN A 13 14.182 15.830 30.499 1.00 0.00 ATOM 97 OD1 ASN A 13 14.776 13.767 31.126 1.00 0.00 ATOM 98 O ASN A 13 14.601 11.881 33.515 1.00 0.00 ATOM 99 C ASN A 13 13.573 12.510 33.268 1.00 0.00 ATOM 100 N LEU A 14 12.518 11.966 32.676 1.00 0.00 ATOM 101 CA LEU A 14 12.438 10.532 32.393 1.00 0.00 ATOM 102 CB LEU A 14 11.041 10.120 31.922 1.00 0.00 ATOM 103 CG LEU A 14 9.875 10.176 32.909 1.00 0.00 ATOM 104 CD1 LEU A 14 8.573 9.766 32.171 1.00 0.00 ATOM 105 CD2 LEU A 14 10.125 9.307 34.144 1.00 0.00 ATOM 106 O LEU A 14 13.905 8.924 31.423 1.00 0.00 ATOM 107 C LEU A 14 13.490 10.085 31.391 1.00 0.00 ATOM 108 N ASP A 15 13.963 11.008 30.550 1.00 0.00 ATOM 109 CA ASP A 15 15.086 10.728 29.649 1.00 0.00 ATOM 110 CB ASP A 15 15.043 11.639 28.428 1.00 0.00 ATOM 111 CG ASP A 15 13.835 11.370 27.547 1.00 0.00 ATOM 112 OD1 ASP A 15 13.452 10.182 27.420 1.00 0.00 ATOM 113 OD2 ASP A 15 13.292 12.344 26.971 1.00 0.00 ATOM 114 O ASP A 15 17.454 10.742 29.644 1.00 0.00 ATOM 115 C ASP A 15 16.441 10.881 30.310 1.00 0.00 ATOM 116 N GLY A 16 16.472 11.144 31.614 1.00 0.00 ATOM 117 CA GLY A 16 17.733 11.227 32.362 1.00 0.00 ATOM 118 O GLY A 16 19.576 12.702 32.623 1.00 0.00 ATOM 119 C GLY A 16 18.429 12.570 32.227 1.00 0.00 ATOM 120 N GLU A 17 17.733 13.554 31.662 1.00 0.00 ATOM 121 CA GLU A 17 18.259 14.909 31.507 1.00 0.00 ATOM 122 CB GLU A 17 17.652 15.583 30.289 1.00 0.00 ATOM 123 CG GLU A 17 17.885 14.881 28.969 1.00 0.00 ATOM 124 CD GLU A 17 17.014 15.476 27.874 1.00 0.00 ATOM 125 OE1 GLU A 17 15.790 15.195 27.849 1.00 0.00 ATOM 126 OE2 GLU A 17 17.554 16.241 27.048 1.00 0.00 ATOM 127 O GLU A 17 16.835 15.703 33.273 1.00 0.00 ATOM 128 C GLU A 17 17.924 15.781 32.717 1.00 0.00 ATOM 129 N LYS A 18 18.867 16.636 33.085 1.00 0.00 ATOM 130 CA LYS A 18 18.697 17.538 34.184 1.00 0.00 ATOM 131 CB LYS A 18 20.045 18.122 34.613 1.00 0.00 ATOM 132 CG LYS A 18 19.969 19.041 35.810 1.00 0.00 ATOM 133 CD LYS A 18 21.280 19.677 36.073 1.00 0.00 ATOM 134 CE LYS A 18 21.193 20.631 37.240 1.00 0.00 ATOM 135 NZ LYS A 18 22.579 20.821 37.812 1.00 0.00 ATOM 136 O LYS A 18 17.814 19.167 32.650 1.00 0.00 ATOM 137 C LYS A 18 17.740 18.643 33.762 1.00 0.00 ATOM 138 N VAL A 19 16.797 18.924 34.640 1.00 0.00 ATOM 139 CA VAL A 19 15.922 20.074 34.550 1.00 0.00 ATOM 140 CB VAL A 19 14.488 19.687 34.895 1.00 0.00 ATOM 141 CG1 VAL A 19 13.609 20.933 35.005 1.00 0.00 ATOM 142 CG2 VAL A 19 13.932 18.673 33.881 1.00 0.00 ATOM 143 O VAL A 19 16.293 20.868 36.781 1.00 0.00 ATOM 144 C VAL A 19 16.444 21.074 35.571 1.00 0.00 ATOM 145 N ASP A 20 17.073 22.140 35.081 1.00 0.00 ATOM 146 CA ASP A 20 17.687 23.156 35.939 1.00 0.00 ATOM 147 CB ASP A 20 18.937 23.765 35.262 1.00 0.00 ATOM 148 CG ASP A 20 19.835 24.536 36.236 1.00 0.00 ATOM 149 OD1 ASP A 20 19.319 25.399 36.991 1.00 0.00 ATOM 150 OD2 ASP A 20 21.072 24.298 36.220 1.00 0.00 ATOM 151 O ASP A 20 16.125 24.850 35.313 1.00 0.00 ATOM 152 C ASP A 20 16.636 24.235 36.226 1.00 0.00 ATOM 153 N PHE A 21 16.291 24.438 37.494 1.00 0.00 ATOM 154 CA PHE A 21 15.254 25.392 37.820 1.00 0.00 ATOM 155 CB PHE A 21 14.826 25.276 39.277 1.00 0.00 ATOM 156 CG PHE A 21 13.864 24.137 39.557 1.00 0.00 ATOM 157 CD1 PHE A 21 14.010 22.890 38.948 1.00 0.00 ATOM 158 CD2 PHE A 21 12.873 24.291 40.492 1.00 0.00 ATOM 159 CE1 PHE A 21 13.115 21.840 39.225 1.00 0.00 ATOM 160 CE2 PHE A 21 11.999 23.258 40.790 1.00 0.00 ATOM 161 CZ PHE A 21 12.126 22.029 40.155 1.00 0.00 ATOM 162 O PHE A 21 14.744 27.701 37.526 1.00 0.00 ATOM 163 C PHE A 21 15.613 26.864 37.485 1.00 0.00 ATOM 164 N ASN A 22 16.872 27.178 37.174 1.00 0.00 ATOM 165 CA ASN A 22 17.191 28.519 36.674 1.00 0.00 ATOM 166 CB ASN A 22 18.694 28.712 36.415 1.00 0.00 ATOM 167 CG ASN A 22 19.459 29.112 37.663 1.00 0.00 ATOM 168 ND2 ASN A 22 20.587 28.478 37.869 1.00 0.00 ATOM 169 OD1 ASN A 22 19.041 30.000 38.429 1.00 0.00 ATOM 170 O ASN A 22 16.145 29.990 35.147 1.00 0.00 ATOM 171 C ASN A 22 16.439 28.838 35.402 1.00 0.00 ATOM 172 N THR A 23 16.127 27.806 34.612 1.00 0.00 ATOM 173 CA THR A 23 15.381 27.988 33.380 1.00 0.00 ATOM 174 CB THR A 23 15.369 26.710 32.487 1.00 0.00 ATOM 175 CG2 THR A 23 16.801 26.269 32.096 1.00 0.00 ATOM 176 OG1 THR A 23 14.709 25.652 33.179 1.00 0.00 ATOM 177 O THR A 23 13.228 28.815 32.754 1.00 0.00 ATOM 178 C THR A 23 13.944 28.421 33.671 1.00 0.00 ATOM 179 N PHE A 24 13.522 28.359 34.939 1.00 0.00 ATOM 180 CA PHE A 24 12.174 28.806 35.306 1.00 0.00 ATOM 181 CB PHE A 24 11.616 28.017 36.482 1.00 0.00 ATOM 182 CG PHE A 24 11.584 26.531 36.285 1.00 0.00 ATOM 183 CD1 PHE A 24 11.717 25.955 35.032 1.00 0.00 ATOM 184 CD2 PHE A 24 11.382 25.694 37.379 1.00 0.00 ATOM 185 CE1 PHE A 24 11.718 24.583 34.884 1.00 0.00 ATOM 186 CE2 PHE A 24 11.339 24.335 37.226 1.00 0.00 ATOM 187 CZ PHE A 24 11.512 23.771 35.963 1.00 0.00 ATOM 188 O PHE A 24 10.981 30.736 35.911 1.00 0.00 ATOM 189 C PHE A 24 12.062 30.293 35.628 1.00 0.00 ATOM 190 N ARG A 25 13.154 31.063 35.559 1.00 0.00 ATOM 191 CA ARG A 25 13.110 32.490 35.932 1.00 0.00 ATOM 192 CB ARG A 25 14.515 33.099 35.945 1.00 0.00 ATOM 193 CG ARG A 25 15.380 32.555 37.035 1.00 0.00 ATOM 194 CD ARG A 25 16.785 32.965 36.880 1.00 0.00 ATOM 195 NE ARG A 25 17.623 32.431 37.935 1.00 0.00 ATOM 196 CZ ARG A 25 17.825 33.021 39.104 1.00 0.00 ATOM 197 NH1 ARG A 25 17.234 34.165 39.397 1.00 0.00 ATOM 198 NH2 ARG A 25 18.623 32.465 39.996 1.00 0.00 ATOM 199 O ARG A 25 12.290 33.129 33.790 1.00 0.00 ATOM 200 C ARG A 25 12.204 33.268 34.990 1.00 0.00 ATOM 201 N GLY A 26 11.293 34.046 35.557 1.00 0.00 ATOM 202 CA GLY A 26 10.338 34.776 34.765 1.00 0.00 ATOM 203 O GLY A 26 8.262 34.454 33.664 1.00 0.00 ATOM 204 C GLY A 26 9.137 33.952 34.355 1.00 0.00 ATOM 205 N ARG A 27 9.086 32.692 34.770 1.00 0.00 ATOM 206 CA ARG A 27 7.949 31.826 34.457 1.00 0.00 ATOM 207 CB ARG A 27 8.399 30.598 33.648 1.00 0.00 ATOM 208 CG ARG A 27 9.063 30.943 32.320 1.00 0.00 ATOM 209 CD ARG A 27 9.639 29.723 31.597 1.00 0.00 ATOM 210 NE ARG A 27 9.820 29.979 30.167 1.00 0.00 ATOM 211 CZ ARG A 27 9.977 29.041 29.222 1.00 0.00 ATOM 212 NH1 ARG A 27 9.993 27.744 29.522 1.00 0.00 ATOM 213 NH2 ARG A 27 10.118 29.397 27.962 1.00 0.00 ATOM 214 O ARG A 27 7.915 31.210 36.756 1.00 0.00 ATOM 215 C ARG A 27 7.263 31.411 35.747 1.00 0.00 ATOM 216 N ALA A 28 5.931 31.332 35.698 1.00 0.00 ATOM 217 CA ALA A 28 5.158 30.655 36.705 1.00 0.00 ATOM 218 CB ALA A 28 3.658 30.962 36.564 1.00 0.00 ATOM 219 O ALA A 28 5.639 28.633 35.408 1.00 0.00 ATOM 220 C ALA A 28 5.421 29.133 36.546 1.00 0.00 ATOM 221 N VAL A 29 5.404 28.425 37.683 1.00 0.00 ATOM 222 CA VAL A 29 5.655 26.978 37.729 1.00 0.00 ATOM 223 CB VAL A 29 7.071 26.607 38.295 1.00 0.00 ATOM 224 CG1 VAL A 29 7.360 25.069 38.201 1.00 0.00 ATOM 225 CG2 VAL A 29 8.166 27.382 37.568 1.00 0.00 ATOM 226 O VAL A 29 4.189 26.715 39.640 1.00 0.00 ATOM 227 C VAL A 29 4.548 26.290 38.523 1.00 0.00 ATOM 228 N LEU A 30 3.963 25.263 37.898 1.00 0.00 ATOM 229 CA LEU A 30 3.006 24.382 38.537 1.00 0.00 ATOM 230 CB LEU A 30 1.730 24.246 37.703 1.00 0.00 ATOM 231 CG LEU A 30 0.635 23.369 38.346 1.00 0.00 ATOM 232 CD1 LEU A 30 0.261 23.911 39.757 1.00 0.00 ATOM 233 CD2 LEU A 30 -0.597 23.207 37.404 1.00 0.00 ATOM 234 O LEU A 30 4.142 22.375 37.802 1.00 0.00 ATOM 235 C LEU A 30 3.701 23.013 38.751 1.00 0.00 ATOM 236 N ILE A 31 3.864 22.635 40.011 1.00 0.00 ATOM 237 CA ILE A 31 4.417 21.325 40.367 1.00 0.00 ATOM 238 CB ILE A 31 5.674 21.454 41.280 1.00 0.00 ATOM 239 CG1 ILE A 31 6.826 22.095 40.478 1.00 0.00 ATOM 240 CG2 ILE A 31 6.079 20.053 41.929 1.00 0.00 ATOM 241 CD1 ILE A 31 8.070 22.530 41.283 1.00 0.00 ATOM 242 O ILE A 31 2.661 20.962 41.933 1.00 0.00 ATOM 243 C ILE A 31 3.316 20.496 41.027 1.00 0.00 ATOM 244 N GLU A 32 3.075 19.293 40.492 1.00 0.00 ATOM 245 CA GLU A 32 2.197 18.308 41.119 1.00 0.00 ATOM 246 CB GLU A 32 0.956 18.020 40.247 1.00 0.00 ATOM 247 CG GLU A 32 0.101 19.219 39.924 1.00 0.00 ATOM 248 CD GLU A 32 -1.321 18.870 39.541 1.00 0.00 ATOM 249 OE1 GLU A 32 -1.727 17.710 39.649 1.00 0.00 ATOM 250 OE2 GLU A 32 -2.058 19.785 39.169 1.00 0.00 ATOM 251 O GLU A 32 3.764 16.623 40.511 1.00 0.00 ATOM 252 C GLU A 32 2.964 16.999 41.335 1.00 0.00 ATOM 253 N ASN A 33 2.712 16.319 42.442 1.00 0.00 ATOM 254 CA ASN A 33 3.019 14.889 42.556 1.00 0.00 ATOM 255 CB ASN A 33 3.222 14.399 44.016 1.00 0.00 ATOM 256 CG ASN A 33 1.980 14.582 44.892 1.00 0.00 ATOM 257 ND2 ASN A 33 1.467 13.474 45.436 1.00 0.00 ATOM 258 OD1 ASN A 33 1.494 15.699 45.071 1.00 0.00 ATOM 259 O ASN A 33 0.724 14.399 42.092 1.00 0.00 ATOM 260 C ASN A 33 1.908 14.126 41.867 1.00 0.00 ATOM 261 N VAL A 34 2.298 13.183 41.020 1.00 0.00 ATOM 262 CA VAL A 34 1.355 12.502 40.136 1.00 0.00 ATOM 263 CB VAL A 34 1.555 12.910 38.631 1.00 0.00 ATOM 264 CG1 VAL A 34 1.449 14.406 38.467 1.00 0.00 ATOM 265 CG2 VAL A 34 2.872 12.358 38.031 1.00 0.00 ATOM 266 O VAL A 34 2.392 10.453 40.885 1.00 0.00 ATOM 267 C VAL A 34 1.438 10.987 40.325 1.00 0.00 ATOM 268 N ALA A 35 0.403 10.298 39.894 1.00 0.00 ATOM 269 CA ALA A 35 0.433 8.859 39.889 1.00 0.00 ATOM 270 CB ALA A 35 -0.173 8.309 41.181 1.00 0.00 ATOM 271 O ALA A 35 -1.344 8.905 38.297 1.00 0.00 ATOM 272 C ALA A 35 -0.307 8.370 38.646 1.00 0.00 ATOM 273 N SER A 36 0.249 7.365 37.973 1.00 0.00 ATOM 274 CA SER A 36 -0.331 6.809 36.719 1.00 0.00 ATOM 275 CB SER A 36 0.696 5.903 36.005 1.00 0.00 ATOM 276 OG SER A 36 1.782 6.653 35.501 1.00 0.00 ATOM 277 O SER A 36 -2.466 5.954 35.982 1.00 0.00 ATOM 278 C SER A 36 -1.638 6.004 36.898 1.00 0.00 ATOM 279 N LEU A 37 -1.804 5.340 38.039 1.00 0.00 ATOM 280 CA LEU A 37 -2.980 4.502 38.256 1.00 0.00 ATOM 281 CB LEU A 37 -2.576 3.016 38.311 1.00 0.00 ATOM 282 CG LEU A 37 -2.458 2.286 36.955 1.00 0.00 ATOM 283 CD1 LEU A 37 -1.456 1.103 37.080 1.00 0.00 ATOM 284 CD2 LEU A 37 -3.842 1.804 36.359 1.00 0.00 ATOM 285 O LEU A 37 -4.131 4.136 40.354 1.00 0.00 ATOM 286 C LEU A 37 -3.767 4.956 39.492 1.00 0.00 ATOM 287 N CYS A 38 -4.049 6.269 39.534 1.00 0.00 ATOM 288 CA CYS A 38 -4.929 6.904 40.540 1.00 0.00 ATOM 289 CB CYS A 38 -4.297 8.239 41.022 1.00 0.00 ATOM 290 SG CYS A 38 -5.106 9.162 42.442 1.00 0.00 ATOM 291 O CYS A 38 -6.572 7.139 38.763 1.00 0.00 ATOM 292 C CYS A 38 -6.364 7.121 39.980 1.00 0.00 ATOM 293 N GLY A 39 -7.348 7.267 40.870 1.00 0.00 ATOM 294 CA GLY A 39 -8.726 7.634 40.478 1.00 0.00 ATOM 295 O GLY A 39 -9.719 9.102 38.836 1.00 0.00 ATOM 296 C GLY A 39 -8.852 8.965 39.718 1.00 0.00 ATOM 297 N THR A 40 -8.001 9.944 40.065 1.00 0.00 ATOM 298 CA THR A 40 -7.945 11.238 39.351 1.00 0.00 ATOM 299 CB THR A 40 -7.899 12.470 40.326 1.00 0.00 ATOM 300 CG2 THR A 40 -9.066 12.452 41.318 1.00 0.00 ATOM 301 OG1 THR A 40 -6.651 12.503 41.036 1.00 0.00 ATOM 302 O THR A 40 -6.424 12.458 37.929 1.00 0.00 ATOM 303 C THR A 40 -6.774 11.346 38.344 1.00 0.00 ATOM 304 N THR A 41 -6.190 10.211 37.940 1.00 0.00 ATOM 305 CA THR A 41 -5.155 10.195 36.878 1.00 0.00 ATOM 306 CB THR A 41 -4.602 8.742 36.579 1.00 0.00 ATOM 307 CG2 THR A 41 -3.728 8.715 35.285 1.00 0.00 ATOM 308 OG1 THR A 41 -3.829 8.265 37.703 1.00 0.00 ATOM 309 O THR A 41 -5.071 11.853 35.111 1.00 0.00 ATOM 310 C THR A 41 -5.647 10.855 35.564 1.00 0.00 ATOM 311 N THR A 42 -6.711 10.315 34.965 1.00 0.00 ATOM 312 CA THR A 42 -7.161 10.809 33.659 1.00 0.00 ATOM 313 CB THR A 42 -8.362 10.001 33.114 1.00 0.00 ATOM 314 CG2 THR A 42 -8.850 10.549 31.747 1.00 0.00 ATOM 315 OG1 THR A 42 -7.958 8.639 32.961 1.00 0.00 ATOM 316 O THR A 42 -6.991 13.031 32.798 1.00 0.00 ATOM 317 C THR A 42 -7.444 12.320 33.696 1.00 0.00 ATOM 318 N ARG A 43 -8.144 12.787 34.748 1.00 0.00 ATOM 319 CA ARG A 43 -8.583 14.190 34.857 1.00 0.00 ATOM 320 CB ARG A 43 -9.540 14.386 36.032 1.00 0.00 ATOM 321 CG ARG A 43 -10.337 15.674 35.953 1.00 0.00 ATOM 322 O ARG A 43 -7.297 16.127 34.347 1.00 0.00 ATOM 323 C ARG A 43 -7.410 15.116 35.043 1.00 0.00 ATOM 324 N ASP A 44 -6.525 14.781 35.980 1.00 0.00 ATOM 325 CA ASP A 44 -5.401 15.658 36.254 1.00 0.00 ATOM 326 CB ASP A 44 -4.738 15.317 37.570 1.00 0.00 ATOM 327 CG ASP A 44 -5.540 15.833 38.780 1.00 0.00 ATOM 328 OD1 ASP A 44 -5.680 17.073 38.956 1.00 0.00 ATOM 329 OD2 ASP A 44 -6.035 14.985 39.538 1.00 0.00 ATOM 330 O ASP A 44 -3.897 16.759 34.776 1.00 0.00 ATOM 331 C ASP A 44 -4.407 15.686 35.099 1.00 0.00 ATOM 332 N PHE A 45 -4.169 14.529 34.462 1.00 0.00 ATOM 333 CA PHE A 45 -3.267 14.445 33.331 1.00 0.00 ATOM 334 CB PHE A 45 -2.906 12.972 32.992 1.00 0.00 ATOM 335 CG PHE A 45 -1.705 12.441 33.791 1.00 0.00 ATOM 336 CD1 PHE A 45 -0.412 12.751 33.416 1.00 0.00 ATOM 337 CD2 PHE A 45 -1.886 11.623 34.891 1.00 0.00 ATOM 338 CE1 PHE A 45 0.665 12.263 34.122 1.00 0.00 ATOM 339 CE2 PHE A 45 -0.816 11.147 35.606 1.00 0.00 ATOM 340 CZ PHE A 45 0.451 11.471 35.239 1.00 0.00 ATOM 341 O PHE A 45 -2.968 15.862 31.423 1.00 0.00 ATOM 342 C PHE A 45 -3.763 15.231 32.111 1.00 0.00 ATOM 343 N THR A 46 -5.066 15.185 31.863 1.00 0.00 ATOM 344 CA THR A 46 -5.710 15.971 30.813 1.00 0.00 ATOM 345 CB THR A 46 -7.206 15.566 30.653 1.00 0.00 ATOM 346 CG2 THR A 46 -7.903 16.428 29.598 1.00 0.00 ATOM 347 OG1 THR A 46 -7.284 14.195 30.245 1.00 0.00 ATOM 348 O THR A 46 -5.419 18.272 30.199 1.00 0.00 ATOM 349 C THR A 46 -5.650 17.464 31.104 1.00 0.00 ATOM 350 N GLN A 47 -5.859 17.818 32.368 1.00 0.00 ATOM 351 CA GLN A 47 -5.904 19.200 32.796 1.00 0.00 ATOM 352 CB GLN A 47 -6.688 19.348 34.114 1.00 0.00 ATOM 353 CG GLN A 47 -8.192 19.102 33.963 1.00 0.00 ATOM 354 CD GLN A 47 -8.980 19.286 35.239 1.00 0.00 ATOM 355 OE1 GLN A 47 -8.438 19.622 36.289 1.00 0.00 ATOM 356 NE2 GLN A 47 -10.286 19.080 35.150 1.00 0.00 ATOM 357 O GLN A 47 -4.297 20.950 32.561 1.00 0.00 ATOM 358 C GLN A 47 -4.490 19.777 32.870 1.00 0.00 ATOM 359 N LEU A 48 -3.493 18.952 33.221 1.00 0.00 ATOM 360 CA LEU A 48 -2.097 19.405 33.190 1.00 0.00 ATOM 361 CB LEU A 48 -1.148 18.392 33.856 1.00 0.00 ATOM 362 CG LEU A 48 -1.281 18.235 35.375 1.00 0.00 ATOM 363 CD1 LEU A 48 -0.655 16.906 35.856 1.00 0.00 ATOM 364 CD2 LEU A 48 -0.653 19.453 36.045 1.00 0.00 ATOM 365 O LEU A 48 -0.965 20.699 31.505 1.00 0.00 ATOM 366 C LEU A 48 -1.654 19.715 31.752 1.00 0.00 ATOM 367 N ASN A 49 -2.035 18.864 30.807 1.00 0.00 ATOM 368 CA ASN A 49 -1.758 19.145 29.419 1.00 0.00 ATOM 369 CB ASN A 49 -2.243 18.012 28.498 1.00 0.00 ATOM 370 CG ASN A 49 -1.244 16.863 28.373 1.00 0.00 ATOM 371 ND2 ASN A 49 -1.487 15.999 27.421 1.00 0.00 ATOM 372 OD1 ASN A 49 -0.253 16.788 29.088 1.00 0.00 ATOM 373 O ASN A 49 -1.786 21.261 28.263 1.00 0.00 ATOM 374 C ASN A 49 -2.413 20.455 28.956 1.00 0.00 ATOM 375 N GLU A 50 -3.685 20.630 29.298 1.00 0.00 ATOM 376 CA GLU A 50 -4.423 21.801 28.886 1.00 0.00 ATOM 377 CB GLU A 50 -5.855 21.703 29.358 1.00 0.00 ATOM 378 CG GLU A 50 -6.739 22.762 28.737 1.00 0.00 ATOM 379 CD GLU A 50 -8.209 22.439 28.900 1.00 0.00 ATOM 380 OE1 GLU A 50 -8.678 22.361 30.061 1.00 0.00 ATOM 381 OE2 GLU A 50 -8.890 22.245 27.870 1.00 0.00 ATOM 382 O GLU A 50 -3.516 24.018 28.621 1.00 0.00 ATOM 383 C GLU A 50 -3.760 23.096 29.396 1.00 0.00 ATOM 384 N LEU A 51 -3.432 23.142 30.683 1.00 0.00 ATOM 385 CA LEU A 51 -2.751 24.279 31.227 1.00 0.00 ATOM 386 CB LEU A 51 -2.537 24.152 32.741 1.00 0.00 ATOM 387 CG LEU A 51 -3.701 24.400 33.705 1.00 0.00 ATOM 388 CD1 LEU A 51 -3.181 24.117 35.092 1.00 0.00 ATOM 389 CD2 LEU A 51 -4.349 25.814 33.627 1.00 0.00 ATOM 390 O LEU A 51 -1.136 25.723 30.322 1.00 0.00 ATOM 391 C LEU A 51 -1.435 24.569 30.559 1.00 0.00 ATOM 392 N GLN A 52 -0.619 23.548 30.288 1.00 0.00 ATOM 393 CA GLN A 52 0.684 23.781 29.659 1.00 0.00 ATOM 394 CB GLN A 52 1.542 22.504 29.613 1.00 0.00 ATOM 395 CG GLN A 52 2.941 22.726 29.038 1.00 0.00 ATOM 396 CD GLN A 52 3.802 23.657 29.922 1.00 0.00 ATOM 397 OE1 GLN A 52 4.514 23.180 30.788 1.00 0.00 ATOM 398 NE2 GLN A 52 3.700 24.971 29.722 1.00 0.00 ATOM 399 O GLN A 52 1.294 25.211 27.821 1.00 0.00 ATOM 400 C GLN A 52 0.516 24.338 28.242 1.00 0.00 ATOM 401 N CYS A 53 -0.466 23.815 27.511 1.00 0.00 ATOM 402 CA CYS A 53 -0.768 24.282 26.137 1.00 0.00 ATOM 403 CB CYS A 53 -1.698 23.299 25.423 1.00 0.00 ATOM 404 SG CYS A 53 -0.899 21.746 25.114 1.00 0.00 ATOM 405 O CYS A 53 -1.105 26.435 25.144 1.00 0.00 ATOM 406 C CYS A 53 -1.351 25.699 26.096 1.00 0.00 ATOM 407 N ARG A 54 -2.090 26.079 27.137 1.00 0.00 ATOM 408 CA ARG A 54 -2.608 27.449 27.286 1.00 0.00 ATOM 409 CB ARG A 54 -3.637 27.507 28.393 1.00 0.00 ATOM 410 CG ARG A 54 -4.900 26.844 28.045 1.00 0.00 ATOM 411 CD ARG A 54 -5.945 27.065 29.101 1.00 0.00 ATOM 412 NE ARG A 54 -7.159 26.348 28.744 1.00 0.00 ATOM 413 CZ ARG A 54 -8.184 26.138 29.566 1.00 0.00 ATOM 414 NH1 ARG A 54 -8.151 26.612 30.798 1.00 0.00 ATOM 415 NH2 ARG A 54 -9.251 25.470 29.135 1.00 0.00 ATOM 416 O ARG A 54 -1.710 29.674 27.169 1.00 0.00 ATOM 417 C ARG A 54 -1.559 28.509 27.581 1.00 0.00 ATOM 418 N PHE A 55 -0.532 28.117 28.330 1.00 0.00 ATOM 419 CA PHE A 55 0.584 28.997 28.662 1.00 0.00 ATOM 420 CB PHE A 55 0.583 29.315 30.179 1.00 0.00 ATOM 421 CG PHE A 55 -0.712 29.908 30.682 1.00 0.00 ATOM 422 CD1 PHE A 55 -1.734 29.086 31.144 1.00 0.00 ATOM 423 CD2 PHE A 55 -0.920 31.271 30.661 1.00 0.00 ATOM 424 CE1 PHE A 55 -2.957 29.650 31.557 1.00 0.00 ATOM 425 CE2 PHE A 55 -2.111 31.818 31.093 1.00 0.00 ATOM 426 CZ PHE A 55 -3.122 31.019 31.537 1.00 0.00 ATOM 427 O PHE A 55 2.775 28.100 29.096 1.00 0.00 ATOM 428 C PHE A 55 1.926 28.360 28.246 1.00 0.00 ATOM 429 N PRO A 56 2.146 28.146 26.922 1.00 0.00 ATOM 430 CA PRO A 56 3.318 27.363 26.545 1.00 0.00 ATOM 431 CB PRO A 56 3.118 27.153 25.040 1.00 0.00 ATOM 432 CG PRO A 56 2.363 28.392 24.600 1.00 0.00 ATOM 433 CD PRO A 56 1.388 28.597 25.742 1.00 0.00 ATOM 434 O PRO A 56 5.649 27.325 27.025 1.00 0.00 ATOM 435 C PRO A 56 4.674 28.031 26.857 1.00 0.00 ATOM 436 N ARG A 57 4.729 29.364 26.916 1.00 0.00 ATOM 437 CA ARG A 57 5.953 30.077 27.189 1.00 0.00 ATOM 438 CB ARG A 57 6.134 31.243 26.222 1.00 0.00 ATOM 439 CG ARG A 57 6.220 30.840 24.745 1.00 0.00 ATOM 440 CD ARG A 57 6.725 32.039 23.861 1.00 0.00 ATOM 441 NE ARG A 57 6.621 31.754 22.415 1.00 0.00 ATOM 442 CZ ARG A 57 7.504 31.054 21.683 1.00 0.00 ATOM 443 NH1 ARG A 57 8.616 30.538 22.220 1.00 0.00 ATOM 444 NH2 ARG A 57 7.272 30.864 20.380 1.00 0.00 ATOM 445 O ARG A 57 7.137 30.803 29.122 1.00 0.00 ATOM 446 C ARG A 57 6.044 30.616 28.620 1.00 0.00 ATOM 447 N ARG A 58 4.924 30.908 29.259 1.00 0.00 ATOM 448 CA ARG A 58 4.967 31.637 30.527 1.00 0.00 ATOM 449 CB ARG A 58 3.935 32.759 30.526 1.00 0.00 ATOM 450 CG ARG A 58 4.146 33.823 29.474 1.00 0.00 ATOM 451 CD ARG A 58 2.969 34.848 29.476 1.00 0.00 ATOM 452 NE ARG A 58 1.681 34.319 28.951 1.00 0.00 ATOM 453 CZ ARG A 58 0.463 34.816 29.229 1.00 0.00 ATOM 454 NH1 ARG A 58 0.325 35.833 30.073 1.00 0.00 ATOM 455 NH2 ARG A 58 -0.636 34.286 28.677 1.00 0.00 ATOM 456 O ARG A 58 4.863 31.265 32.875 1.00 0.00 ATOM 457 C ARG A 58 4.777 30.764 31.752 1.00 0.00 ATOM 458 N LEU A 59 4.465 29.486 31.527 1.00 0.00 ATOM 459 CA LEU A 59 4.215 28.522 32.575 1.00 0.00 ATOM 460 CB LEU A 59 2.738 28.126 32.605 1.00 0.00 ATOM 461 CG LEU A 59 2.247 27.102 33.642 1.00 0.00 ATOM 462 CD1 LEU A 59 2.343 27.645 35.097 1.00 0.00 ATOM 463 CD2 LEU A 59 0.822 26.649 33.264 1.00 0.00 ATOM 464 O LEU A 59 5.284 26.941 31.162 1.00 0.00 ATOM 465 C LEU A 59 5.079 27.295 32.303 1.00 0.00 ATOM 466 N VAL A 60 5.626 26.716 33.368 1.00 0.00 ATOM 467 CA VAL A 60 6.186 25.378 33.329 1.00 0.00 ATOM 468 CB VAL A 60 7.657 25.344 33.823 1.00 0.00 ATOM 469 CG1 VAL A 60 8.224 23.897 33.802 1.00 0.00 ATOM 470 CG2 VAL A 60 8.532 26.284 32.977 1.00 0.00 ATOM 471 O VAL A 60 5.129 24.829 35.375 1.00 0.00 ATOM 472 C VAL A 60 5.320 24.509 34.208 1.00 0.00 ATOM 473 N VAL A 61 4.771 23.429 33.636 1.00 0.00 ATOM 474 CA VAL A 61 4.067 22.371 34.381 1.00 0.00 ATOM 475 CB VAL A 61 2.769 21.923 33.673 1.00 0.00 ATOM 476 CG1 VAL A 61 2.027 20.895 34.501 1.00 0.00 ATOM 477 CG2 VAL A 61 1.867 23.110 33.375 1.00 0.00 ATOM 478 O VAL A 61 5.605 20.682 33.619 1.00 0.00 ATOM 479 C VAL A 61 5.032 21.178 34.562 1.00 0.00 ATOM 480 N LEU A 62 5.220 20.732 35.796 1.00 0.00 ATOM 481 CA LEU A 62 6.181 19.691 36.091 1.00 0.00 ATOM 482 CB LEU A 62 7.405 20.364 36.759 1.00 0.00 ATOM 483 CG LEU A 62 8.809 19.784 36.921 1.00 0.00 ATOM 484 CD1 LEU A 62 9.457 19.389 35.587 1.00 0.00 ATOM 485 CD2 LEU A 62 9.659 20.871 37.643 1.00 0.00 ATOM 486 O LEU A 62 4.904 19.013 37.999 1.00 0.00 ATOM 487 C LEU A 62 5.508 18.659 36.977 1.00 0.00 ATOM 488 N GLY A 63 5.526 17.394 36.554 1.00 0.00 ATOM 489 CA GLY A 63 4.903 16.313 37.338 1.00 0.00 ATOM 490 O GLY A 63 6.806 14.905 37.193 1.00 0.00 ATOM 491 C GLY A 63 5.930 15.369 37.916 1.00 0.00 ATOM 492 N PHE A 64 5.811 15.088 39.214 1.00 0.00 ATOM 493 CA PHE A 64 6.667 14.188 39.926 1.00 0.00 ATOM 494 CB PHE A 64 7.181 14.825 41.226 1.00 0.00 ATOM 495 CG PHE A 64 8.198 15.924 41.013 1.00 0.00 ATOM 496 CD1 PHE A 64 9.510 15.762 41.426 1.00 0.00 ATOM 497 CD2 PHE A 64 7.828 17.124 40.458 1.00 0.00 ATOM 498 CE1 PHE A 64 10.441 16.808 41.280 1.00 0.00 ATOM 499 CE2 PHE A 64 8.741 18.169 40.308 1.00 0.00 ATOM 500 CZ PHE A 64 10.045 18.002 40.704 1.00 0.00 ATOM 501 O PHE A 64 5.146 12.870 41.190 1.00 0.00 ATOM 502 C PHE A 64 5.939 12.901 40.254 1.00 0.00 ATOM 503 N PRO A 65 6.210 11.830 39.485 1.00 0.00 ATOM 504 CA PRO A 65 5.587 10.536 39.808 1.00 0.00 ATOM 505 CB PRO A 65 6.082 9.606 38.709 1.00 0.00 ATOM 506 CG PRO A 65 6.531 10.497 37.575 1.00 0.00 ATOM 507 CD PRO A 65 7.044 11.757 38.263 1.00 0.00 ATOM 508 O PRO A 65 7.179 10.290 41.572 1.00 0.00 ATOM 509 C PRO A 65 6.034 10.075 41.188 1.00 0.00 ATOM 510 N CYS A 66 5.121 9.475 41.942 1.00 0.00 ATOM 511 CA CYS A 66 5.420 9.054 43.308 1.00 0.00 ATOM 512 CB CYS A 66 5.214 10.251 44.258 1.00 0.00 ATOM 513 SG CYS A 66 5.495 9.873 46.026 1.00 0.00 ATOM 514 O CYS A 66 3.296 7.894 43.411 1.00 0.00 ATOM 515 C CYS A 66 4.513 7.875 43.678 1.00 0.00 ATOM 516 N ASN A 67 5.112 6.874 44.329 1.00 0.00 ATOM 517 CA ASN A 67 4.432 5.634 44.727 1.00 0.00 ATOM 518 CB ASN A 67 5.337 4.449 44.349 1.00 0.00 ATOM 519 CG ASN A 67 4.582 3.164 44.245 1.00 0.00 ATOM 520 ND2 ASN A 67 5.212 2.063 44.693 1.00 0.00 ATOM 521 OD1 ASN A 67 3.424 3.147 43.776 1.00 0.00 ATOM 522 O ASN A 67 3.727 4.526 46.756 1.00 0.00 ATOM 523 C ASN A 67 4.051 5.573 46.229 1.00 0.00 ATOM 524 N GLN A 68 4.066 6.708 46.924 1.00 0.00 ATOM 525 CA GLN A 68 3.796 6.702 48.370 1.00 0.00 ATOM 526 CB GLN A 68 4.493 7.896 49.011 1.00 0.00 ATOM 527 CG GLN A 68 5.986 7.727 49.021 1.00 0.00 ATOM 528 CD GLN A 68 6.676 8.817 49.793 1.00 0.00 ATOM 529 OE1 GLN A 68 6.504 9.995 49.495 1.00 0.00 ATOM 530 NE2 GLN A 68 7.457 8.432 50.801 1.00 0.00 ATOM 531 O GLN A 68 2.041 6.576 49.994 1.00 0.00 ATOM 532 C GLN A 68 2.318 6.699 48.800 1.00 0.00 ATOM 533 N PHE A 69 1.395 6.844 47.841 1.00 0.00 ATOM 534 CA PHE A 69 -0.020 7.063 48.118 1.00 0.00 ATOM 535 CB PHE A 69 -0.449 8.459 47.678 1.00 0.00 ATOM 536 CG PHE A 69 0.473 9.540 48.168 1.00 0.00 ATOM 537 CD1 PHE A 69 0.406 9.983 49.486 1.00 0.00 ATOM 538 CD2 PHE A 69 1.469 10.058 47.335 1.00 0.00 ATOM 539 CE1 PHE A 69 1.267 10.952 49.946 1.00 0.00 ATOM 540 CE2 PHE A 69 2.332 11.026 47.805 1.00 0.00 ATOM 541 CZ PHE A 69 2.230 11.464 49.123 1.00 0.00 ATOM 542 O PHE A 69 -1.342 6.085 46.369 1.00 0.00 ATOM 543 C PHE A 69 -0.877 5.973 47.501 1.00 0.00 ATOM 544 N GLY A 70 -1.073 4.903 48.266 1.00 0.00 ATOM 545 CA GLY A 70 -1.820 3.749 47.762 1.00 0.00 ATOM 546 O GLY A 70 -1.539 2.131 46.036 1.00 0.00 ATOM 547 C GLY A 70 -0.996 2.961 46.744 1.00 0.00 ATOM 548 N HIS A 71 0.319 3.207 46.710 1.00 0.00 ATOM 549 CA HIS A 71 1.238 2.601 45.751 1.00 0.00 ATOM 550 CB HIS A 71 1.522 1.138 46.085 1.00 0.00 ATOM 551 CG HIS A 71 2.159 0.918 47.425 1.00 0.00 ATOM 552 CD2 HIS A 71 1.633 0.516 48.607 1.00 0.00 ATOM 553 ND1 HIS A 71 3.519 1.041 47.635 1.00 0.00 ATOM 554 CE1 HIS A 71 3.793 0.755 48.897 1.00 0.00 ATOM 555 NE2 HIS A 71 2.667 0.425 49.506 1.00 0.00 ATOM 556 O HIS A 71 0.726 1.699 43.586 1.00 0.00 ATOM 557 C HIS A 71 0.715 2.698 44.321 1.00 0.00 ATOM 558 N GLN A 72 0.286 3.900 43.915 1.00 0.00 ATOM 559 CA GLN A 72 -0.398 4.065 42.629 1.00 0.00 ATOM 560 CB GLN A 72 -1.599 4.985 42.823 1.00 0.00 ATOM 561 CG GLN A 72 -2.629 4.336 43.722 1.00 0.00 ATOM 562 CD GLN A 72 -3.809 5.186 43.985 1.00 0.00 ATOM 563 OE1 GLN A 72 -3.902 6.286 43.483 1.00 0.00 ATOM 564 NE2 GLN A 72 -4.735 4.679 44.773 1.00 0.00 ATOM 565 O GLN A 72 0.135 5.062 40.467 1.00 0.00 ATOM 566 C GLN A 72 0.551 4.511 41.492 1.00 0.00 ATOM 567 N GLU A 73 1.841 4.280 41.708 1.00 0.00 ATOM 568 CA GLU A 73 2.874 4.447 40.698 1.00 0.00 ATOM 569 CB GLU A 73 3.511 5.833 40.801 1.00 0.00 ATOM 570 CG GLU A 73 4.429 6.162 39.637 1.00 0.00 ATOM 571 CD GLU A 73 3.626 6.268 38.364 1.00 0.00 ATOM 572 OE1 GLU A 73 2.970 7.318 38.208 1.00 0.00 ATOM 573 OE2 GLU A 73 3.608 5.291 37.569 1.00 0.00 ATOM 574 O GLU A 73 5.080 3.656 41.295 1.00 0.00 ATOM 575 C GLU A 73 3.951 3.358 40.883 1.00 0.00 ATOM 576 N ASN A 74 3.597 2.107 40.606 1.00 0.00 ATOM 577 CA ASN A 74 4.560 0.962 40.727 1.00 0.00 ATOM 578 CB ASN A 74 3.814 -0.355 41.070 1.00 0.00 ATOM 579 CG ASN A 74 3.311 -0.409 42.535 1.00 0.00 ATOM 580 ND2 ASN A 74 2.016 -0.627 42.699 1.00 0.00 ATOM 581 OD1 ASN A 74 4.087 -0.277 43.494 1.00 0.00 ATOM 582 O ASN A 74 6.405 -0.033 39.467 1.00 0.00 ATOM 583 C ASN A 74 5.448 0.767 39.471 1.00 0.00 ATOM 584 N CYS A 75 5.117 1.502 38.412 1.00 0.00 ATOM 585 CA CYS A 75 5.900 1.501 37.191 1.00 0.00 ATOM 586 CB CYS A 75 5.305 2.472 36.152 1.00 0.00 ATOM 587 SG CYS A 75 3.938 1.797 35.226 1.00 0.00 ATOM 588 O CYS A 75 7.559 2.821 38.309 1.00 0.00 ATOM 589 C CYS A 75 7.337 1.935 37.481 1.00 0.00 ATOM 590 N GLN A 76 8.279 1.273 36.801 1.00 0.00 ATOM 591 CA GLN A 76 9.618 1.791 36.586 1.00 0.00 ATOM 592 CB GLN A 76 10.501 0.778 35.853 1.00 0.00 ATOM 593 CG GLN A 76 10.684 -0.579 36.545 1.00 0.00 ATOM 594 CD GLN A 76 11.086 -0.446 38.005 1.00 0.00 ATOM 595 OE1 GLN A 76 10.305 0.017 38.850 1.00 0.00 ATOM 596 NE2 GLN A 76 12.310 -0.855 38.313 1.00 0.00 ATOM 597 O GLN A 76 8.507 3.217 34.994 1.00 0.00 ATOM 598 C GLN A 76 9.497 3.033 35.721 1.00 0.00 ATOM 599 N ASN A 77 10.514 3.879 35.790 1.00 0.00 ATOM 600 CA ASN A 77 10.538 5.116 35.032 1.00 0.00 ATOM 601 CB ASN A 77 11.862 5.863 35.253 1.00 0.00 ATOM 602 CG ASN A 77 11.929 6.558 36.605 1.00 0.00 ATOM 603 ND2 ASN A 77 13.141 6.687 37.135 1.00 0.00 ATOM 604 OD1 ASN A 77 10.904 6.985 37.165 1.00 0.00 ATOM 605 O ASN A 77 9.519 5.594 32.938 1.00 0.00 ATOM 606 C ASN A 77 10.302 4.878 33.555 1.00 0.00 ATOM 607 N GLU A 78 10.947 3.847 33.009 1.00 0.00 ATOM 608 CA GLU A 78 10.815 3.479 31.583 1.00 0.00 ATOM 609 CB GLU A 78 11.952 2.514 31.141 1.00 0.00 ATOM 610 CG GLU A 78 12.485 1.555 32.209 1.00 0.00 ATOM 611 CD GLU A 78 13.331 2.277 33.270 1.00 0.00 ATOM 612 OE1 GLU A 78 14.309 2.989 32.936 1.00 0.00 ATOM 613 OE2 GLU A 78 12.998 2.149 34.447 1.00 0.00 ATOM 614 O GLU A 78 9.193 2.670 29.987 1.00 0.00 ATOM 615 C GLU A 78 9.436 2.893 31.166 1.00 0.00 ATOM 616 N GLU A 79 8.551 2.649 32.120 1.00 0.00 ATOM 617 CA GLU A 79 7.211 2.109 31.855 1.00 0.00 ATOM 618 CB GLU A 79 6.921 0.979 32.843 1.00 0.00 ATOM 619 CG GLU A 79 7.889 -0.223 32.720 1.00 0.00 ATOM 620 CD GLU A 79 7.722 -1.246 33.845 1.00 0.00 ATOM 621 OE1 GLU A 79 7.408 -0.835 34.981 1.00 0.00 ATOM 622 OE2 GLU A 79 7.915 -2.458 33.597 1.00 0.00 ATOM 623 O GLU A 79 4.980 2.922 31.402 1.00 0.00 ATOM 624 C GLU A 79 6.080 3.158 31.927 1.00 0.00 ATOM 625 N ILE A 80 6.359 4.304 32.560 1.00 0.00 ATOM 626 CA ILE A 80 5.348 5.345 32.871 1.00 0.00 ATOM 627 CB ILE A 80 5.977 6.482 33.753 1.00 0.00 ATOM 628 CG1 ILE A 80 6.298 5.932 35.157 1.00 0.00 ATOM 629 CG2 ILE A 80 5.041 7.699 33.845 1.00 0.00 ATOM 630 CD1 ILE A 80 6.982 6.902 36.153 1.00 0.00 ATOM 631 O ILE A 80 3.422 5.977 31.572 1.00 0.00 ATOM 632 C ILE A 80 4.650 5.906 31.623 1.00 0.00 ATOM 633 N LEU A 81 5.408 6.275 30.592 1.00 0.00 ATOM 634 CA LEU A 81 4.787 6.849 29.384 1.00 0.00 ATOM 635 CB LEU A 81 5.858 7.393 28.426 1.00 0.00 ATOM 636 CG LEU A 81 6.634 8.604 28.984 1.00 0.00 ATOM 637 CD1 LEU A 81 7.758 9.113 27.964 1.00 0.00 ATOM 638 CD2 LEU A 81 5.624 9.731 29.346 1.00 0.00 ATOM 639 O LEU A 81 2.846 6.185 28.189 1.00 0.00 ATOM 640 C LEU A 81 3.905 5.837 28.680 1.00 0.00 ATOM 641 N ASN A 82 4.352 4.576 28.628 1.00 0.00 ATOM 642 CA ASN A 82 3.538 3.455 28.114 1.00 0.00 ATOM 643 CB ASN A 82 4.334 2.142 28.155 1.00 0.00 ATOM 644 CG ASN A 82 5.300 2.035 27.013 1.00 0.00 ATOM 645 ND2 ASN A 82 6.242 1.085 27.075 1.00 0.00 ATOM 646 OD1 ASN A 82 5.186 2.796 26.069 1.00 0.00 ATOM 647 O ASN A 82 1.195 3.027 28.204 1.00 0.00 ATOM 648 C ASN A 82 2.230 3.244 28.828 1.00 0.00 ATOM 649 N SER A 83 2.292 3.304 30.146 1.00 0.00 ATOM 650 CA SER A 83 1.126 3.149 30.975 1.00 0.00 ATOM 651 CB SER A 83 1.538 3.058 32.438 1.00 0.00 ATOM 652 OG SER A 83 0.437 2.662 33.244 1.00 0.00 ATOM 653 O SER A 83 -1.040 4.083 30.595 1.00 0.00 ATOM 654 C SER A 83 0.161 4.305 30.729 1.00 0.00 ATOM 655 N LEU A 84 0.683 5.535 30.620 1.00 0.00 ATOM 656 CA LEU A 84 -0.185 6.690 30.348 1.00 0.00 ATOM 657 CB LEU A 84 0.578 8.013 30.499 1.00 0.00 ATOM 658 CG LEU A 84 1.078 8.363 31.889 1.00 0.00 ATOM 659 CD1 LEU A 84 2.149 9.522 31.840 1.00 0.00 ATOM 660 CD2 LEU A 84 -0.088 8.658 32.861 1.00 0.00 ATOM 661 O LEU A 84 -1.960 6.953 28.734 1.00 0.00 ATOM 662 C LEU A 84 -0.803 6.595 28.948 1.00 0.00 ATOM 663 N LYS A 85 -0.013 6.102 27.993 1.00 0.00 ATOM 664 CA LYS A 85 -0.418 6.039 26.615 1.00 0.00 ATOM 665 CB LYS A 85 0.802 5.890 25.719 1.00 0.00 ATOM 666 CG LYS A 85 0.494 5.965 24.279 1.00 0.00 ATOM 667 CD LYS A 85 1.752 6.214 23.473 1.00 0.00 ATOM 668 CE LYS A 85 1.520 5.997 21.997 1.00 0.00 ATOM 669 NZ LYS A 85 2.732 6.430 21.233 1.00 0.00 ATOM 670 O LYS A 85 -2.251 5.075 25.448 1.00 0.00 ATOM 671 C LYS A 85 -1.385 4.924 26.312 1.00 0.00 ATOM 672 N TYR A 86 -1.220 3.785 26.983 1.00 0.00 ATOM 673 CA TYR A 86 -1.928 2.577 26.587 1.00 0.00 ATOM 674 CB TYR A 86 -0.933 1.476 26.196 1.00 0.00 ATOM 675 CG TYR A 86 -0.162 1.758 24.929 1.00 0.00 ATOM 676 CD1 TYR A 86 -0.787 1.710 23.683 1.00 0.00 ATOM 677 CD2 TYR A 86 1.185 2.064 24.972 1.00 0.00 ATOM 678 CE1 TYR A 86 -0.083 1.969 22.525 1.00 0.00 ATOM 679 CE2 TYR A 86 1.894 2.323 23.824 1.00 0.00 ATOM 680 CZ TYR A 86 1.259 2.272 22.602 1.00 0.00 ATOM 681 OH TYR A 86 1.978 2.528 21.451 1.00 0.00 ATOM 682 O TYR A 86 -3.688 1.187 27.334 1.00 0.00 ATOM 683 C TYR A 86 -2.879 2.053 27.634 1.00 0.00 ATOM 684 N VAL A 87 -2.790 2.548 28.860 1.00 0.00 ATOM 685 CA VAL A 87 -3.610 1.981 29.944 1.00 0.00 ATOM 686 CB VAL A 87 -2.738 1.329 31.036 1.00 0.00 ATOM 687 CG1 VAL A 87 -3.617 0.751 32.162 1.00 0.00 ATOM 688 CG2 VAL A 87 -1.821 0.271 30.396 1.00 0.00 ATOM 689 O VAL A 87 -5.774 2.935 30.327 1.00 0.00 ATOM 690 C VAL A 87 -4.570 3.032 30.520 1.00 0.00 ATOM 691 N ARG A 88 -4.020 4.024 31.209 1.00 0.00 ATOM 692 CA ARG A 88 -4.816 5.070 31.826 1.00 0.00 ATOM 693 CB ARG A 88 -5.204 4.694 33.256 1.00 0.00 ATOM 694 CG ARG A 88 -6.160 5.722 33.882 1.00 0.00 ATOM 695 CD ARG A 88 -6.327 5.565 35.379 1.00 0.00 ATOM 696 NE ARG A 88 -6.982 4.311 35.736 1.00 0.00 ATOM 697 CZ ARG A 88 -6.996 3.791 36.965 1.00 0.00 ATOM 698 NH1 ARG A 88 -6.424 4.431 37.985 1.00 0.00 ATOM 699 NH2 ARG A 88 -7.595 2.620 37.179 1.00 0.00 ATOM 700 O ARG A 88 -2.929 6.348 32.460 1.00 0.00 ATOM 701 C ARG A 88 -3.988 6.347 31.853 1.00 0.00 ATOM 702 N PRO A 89 -4.464 7.433 31.196 1.00 0.00 ATOM 703 CA PRO A 89 -5.684 7.629 30.411 1.00 0.00 ATOM 704 CB PRO A 89 -5.531 9.065 29.879 1.00 0.00 ATOM 705 CG PRO A 89 -4.615 9.703 30.787 1.00 0.00 ATOM 706 CD PRO A 89 -3.668 8.666 31.238 1.00 0.00 ATOM 707 O PRO A 89 -6.943 6.364 28.821 1.00 0.00 ATOM 708 C PRO A 89 -5.833 6.691 29.226 1.00 0.00 ATOM 709 N GLY A 90 -4.734 6.250 28.643 1.00 0.00 ATOM 710 CA GLY A 90 -4.864 5.360 27.506 1.00 0.00 ATOM 711 O GLY A 90 -5.171 7.399 26.302 1.00 0.00 ATOM 712 C GLY A 90 -5.242 6.171 26.298 1.00 0.00 ATOM 713 N GLY A 91 -5.600 5.468 25.240 1.00 0.00 ATOM 714 CA GLY A 91 -6.080 6.084 24.012 1.00 0.00 ATOM 715 O GLY A 91 -5.424 7.757 22.476 1.00 0.00 ATOM 716 C GLY A 91 -5.060 6.938 23.294 1.00 0.00 ATOM 717 N GLY A 92 -3.780 6.737 23.580 1.00 0.00 ATOM 718 CA GLY A 92 -2.720 7.462 22.864 1.00 0.00 ATOM 719 O GLY A 92 -1.491 9.474 23.062 1.00 0.00 ATOM 720 C GLY A 92 -2.289 8.707 23.588 1.00 0.00 ATOM 721 N TYR A 93 -2.771 8.875 24.820 1.00 0.00 ATOM 722 CA TYR A 93 -2.421 10.019 25.632 1.00 0.00 ATOM 723 CB TYR A 93 -3.044 9.931 27.030 1.00 0.00 ATOM 724 CG TYR A 93 -2.522 10.996 27.937 1.00 0.00 ATOM 725 CD1 TYR A 93 -3.158 12.224 28.029 1.00 0.00 ATOM 726 CD2 TYR A 93 -1.359 10.797 28.682 1.00 0.00 ATOM 727 CE1 TYR A 93 -2.675 13.207 28.844 1.00 0.00 ATOM 728 CE2 TYR A 93 -0.868 11.774 29.480 1.00 0.00 ATOM 729 CZ TYR A 93 -1.517 12.985 29.555 1.00 0.00 ATOM 730 OH TYR A 93 -1.025 13.982 30.374 1.00 0.00 ATOM 731 O TYR A 93 -0.191 9.192 26.096 1.00 0.00 ATOM 732 C TYR A 93 -0.906 10.159 25.768 1.00 0.00 ATOM 733 N GLN A 94 -0.423 11.375 25.536 1.00 0.00 ATOM 734 CA GLN A 94 0.959 11.720 25.811 1.00 0.00 ATOM 735 CB GLN A 94 1.727 11.886 24.509 1.00 0.00 ATOM 736 CG GLN A 94 1.887 10.581 23.760 1.00 0.00 ATOM 737 CD GLN A 94 2.564 10.736 22.410 1.00 0.00 ATOM 738 OE1 GLN A 94 3.391 11.617 22.213 1.00 0.00 ATOM 739 NE2 GLN A 94 2.212 9.866 21.477 1.00 0.00 ATOM 740 O GLN A 94 0.172 13.921 26.330 1.00 0.00 ATOM 741 C GLN A 94 0.979 13.015 26.603 1.00 0.00 ATOM 742 N PRO A 95 1.875 13.108 27.604 1.00 0.00 ATOM 743 CA PRO A 95 1.998 14.389 28.306 1.00 0.00 ATOM 744 CB PRO A 95 2.874 14.062 29.535 1.00 0.00 ATOM 745 CG PRO A 95 3.308 12.668 29.408 1.00 0.00 ATOM 746 CD PRO A 95 2.769 12.069 28.146 1.00 0.00 ATOM 747 O PRO A 95 3.550 15.214 26.694 1.00 0.00 ATOM 748 C PRO A 95 2.634 15.488 27.441 1.00 0.00 ATOM 749 N THR A 96 2.137 16.714 27.553 1.00 0.00 ATOM 750 CA THR A 96 2.729 17.870 26.870 1.00 0.00 ATOM 751 CB THR A 96 1.632 18.810 26.250 1.00 0.00 ATOM 752 CG2 THR A 96 0.832 18.087 25.209 1.00 0.00 ATOM 753 OG1 THR A 96 0.750 19.271 27.268 1.00 0.00 ATOM 754 O THR A 96 4.183 19.674 27.534 1.00 0.00 ATOM 755 C THR A 96 3.592 18.657 27.867 1.00 0.00 ATOM 756 N PHE A 97 3.683 18.150 29.090 1.00 0.00 ATOM 757 CA PHE A 97 4.431 18.798 30.150 1.00 0.00 ATOM 758 CB PHE A 97 3.490 19.151 31.315 1.00 0.00 ATOM 759 CG PHE A 97 2.887 17.964 31.979 1.00 0.00 ATOM 760 CD1 PHE A 97 3.527 17.356 33.057 1.00 0.00 ATOM 761 CD2 PHE A 97 1.690 17.434 31.524 1.00 0.00 ATOM 762 CE1 PHE A 97 2.979 16.247 33.662 1.00 0.00 ATOM 763 CE2 PHE A 97 1.131 16.304 32.126 1.00 0.00 ATOM 764 CZ PHE A 97 1.778 15.714 33.187 1.00 0.00 ATOM 765 O PHE A 97 5.615 16.702 30.083 1.00 0.00 ATOM 766 C PHE A 97 5.560 17.833 30.551 1.00 0.00 ATOM 767 N THR A 98 6.439 18.285 31.430 1.00 0.00 ATOM 768 CA THR A 98 7.626 17.551 31.788 1.00 0.00 ATOM 769 CB THR A 98 8.736 18.539 32.216 1.00 0.00 ATOM 770 CG2 THR A 98 10.089 17.843 32.372 1.00 0.00 ATOM 771 OG1 THR A 98 8.802 19.620 31.269 1.00 0.00 ATOM 772 O THR A 98 6.844 17.127 33.984 1.00 0.00 ATOM 773 C THR A 98 7.306 16.646 32.958 1.00 0.00 ATOM 774 N LEU A 99 7.559 15.351 32.793 1.00 0.00 ATOM 775 CA LEU A 99 7.539 14.381 33.872 1.00 0.00 ATOM 776 CB LEU A 99 6.917 13.050 33.455 1.00 0.00 ATOM 777 CG LEU A 99 5.418 12.954 33.319 1.00 0.00 ATOM 778 CD1 LEU A 99 5.088 11.634 32.628 1.00 0.00 ATOM 779 CD2 LEU A 99 4.717 13.100 34.698 1.00 0.00 ATOM 780 O LEU A 99 9.813 13.885 33.423 1.00 0.00 ATOM 781 C LEU A 99 8.938 14.085 34.273 1.00 0.00 ATOM 782 N VAL A 100 9.137 13.970 35.578 1.00 0.00 ATOM 783 CA VAL A 100 10.446 13.684 36.091 1.00 0.00 ATOM 784 CB VAL A 100 10.851 14.740 37.155 1.00 0.00 ATOM 785 CG1 VAL A 100 10.838 16.157 36.503 1.00 0.00 ATOM 786 CG2 VAL A 100 9.960 14.675 38.304 1.00 0.00 ATOM 787 O VAL A 100 9.512 11.513 36.581 1.00 0.00 ATOM 788 C VAL A 100 10.507 12.232 36.592 1.00 0.00 ATOM 789 N GLN A 101 11.697 11.799 36.961 1.00 0.00 ATOM 790 CA GLN A 101 11.879 10.463 37.494 1.00 0.00 ATOM 791 CB GLN A 101 13.338 10.199 37.702 1.00 0.00 ATOM 792 CG GLN A 101 14.058 9.928 36.412 1.00 0.00 ATOM 793 CD GLN A 101 15.529 9.728 36.620 1.00 0.00 ATOM 794 OE1 GLN A 101 16.083 10.116 37.651 1.00 0.00 ATOM 795 NE2 GLN A 101 16.177 9.134 35.637 1.00 0.00 ATOM 796 O GLN A 101 10.962 11.210 39.582 1.00 0.00 ATOM 797 C GLN A 101 11.113 10.276 38.797 1.00 0.00 ATOM 798 N LYS A 102 10.595 9.066 38.991 1.00 0.00 ATOM 799 CA LYS A 102 9.835 8.738 40.170 1.00 0.00 ATOM 800 CB LYS A 102 9.445 7.253 40.118 1.00 0.00 ATOM 801 CG LYS A 102 8.665 6.775 41.294 1.00 0.00 ATOM 802 CD LYS A 102 7.906 5.467 40.991 1.00 0.00 ATOM 803 CE LYS A 102 8.835 4.305 40.767 1.00 0.00 ATOM 804 NZ LYS A 102 8.104 3.028 40.944 1.00 0.00 ATOM 805 O LYS A 102 11.880 8.888 41.480 1.00 0.00 ATOM 806 C LYS A 102 10.664 9.094 41.430 1.00 0.00 ATOM 807 N CYS A 103 9.991 9.649 42.426 1.00 0.00 ATOM 808 CA CYS A 103 10.632 10.073 43.679 1.00 0.00 ATOM 809 CB CYS A 103 10.991 11.573 43.604 1.00 0.00 ATOM 810 SG CYS A 103 9.604 12.673 43.661 1.00 0.00 ATOM 811 O CYS A 103 8.616 9.311 44.725 1.00 0.00 ATOM 812 C CYS A 103 9.729 9.815 44.874 1.00 0.00 ATOM 813 N GLU A 104 10.251 10.123 46.062 1.00 0.00 ATOM 814 CA GLU A 104 9.463 10.242 47.279 1.00 0.00 ATOM 815 CB GLU A 104 10.108 9.449 48.419 1.00 0.00 ATOM 816 CG GLU A 104 9.805 7.999 48.264 1.00 0.00 ATOM 817 CD GLU A 104 10.579 7.095 49.183 1.00 0.00 ATOM 818 OE1 GLU A 104 11.249 7.589 50.110 1.00 0.00 ATOM 819 OE2 GLU A 104 10.466 5.869 48.989 1.00 0.00 ATOM 820 O GLU A 104 10.162 12.551 47.373 1.00 0.00 ATOM 821 C GLU A 104 9.269 11.726 47.595 1.00 0.00 ATOM 822 N VAL A 105 8.046 12.091 47.977 1.00 0.00 ATOM 823 CA VAL A 105 7.704 13.485 48.328 1.00 0.00 ATOM 824 CB VAL A 105 6.364 13.975 47.653 1.00 0.00 ATOM 825 CG1 VAL A 105 6.512 13.983 46.060 1.00 0.00 ATOM 826 CG2 VAL A 105 5.143 13.158 48.129 1.00 0.00 ATOM 827 O VAL A 105 7.672 14.837 50.310 1.00 0.00 ATOM 828 C VAL A 105 7.638 13.684 49.839 1.00 0.00 ATOM 829 N ASN A 106 7.520 12.564 50.580 1.00 0.00 ATOM 830 CA ASN A 106 7.432 12.571 52.048 1.00 0.00 ATOM 831 CB ASN A 106 6.055 12.134 52.599 1.00 0.00 ATOM 832 CG ASN A 106 4.937 13.048 52.240 1.00 0.00 ATOM 833 ND2 ASN A 106 3.722 12.478 52.079 1.00 0.00 ATOM 834 OD1 ASN A 106 5.121 14.252 52.145 1.00 0.00 ATOM 835 O ASN A 106 8.958 10.706 52.009 1.00 0.00 ATOM 836 C ASN A 106 8.508 11.658 52.642 1.00 0.00 ATOM 837 N GLY A 107 8.918 11.989 53.862 1.00 0.00 ATOM 838 CA GLY A 107 9.821 11.155 54.627 1.00 0.00 ATOM 839 O GLY A 107 11.658 12.465 53.784 1.00 0.00 ATOM 840 C GLY A 107 11.293 11.497 54.448 1.00 0.00 ATOM 841 N GLN A 108 12.120 10.661 55.062 1.00 0.00 ATOM 842 CA GLN A 108 13.567 10.818 55.087 1.00 0.00 ATOM 843 CB GLN A 108 14.165 9.585 55.753 1.00 0.00 ATOM 844 CG GLN A 108 15.597 9.738 56.177 1.00 0.00 ATOM 845 CD GLN A 108 16.044 8.564 57.026 1.00 0.00 ATOM 846 OE1 GLN A 108 15.459 7.473 56.962 1.00 0.00 ATOM 847 NE2 GLN A 108 17.070 8.781 57.839 1.00 0.00 ATOM 848 O GLN A 108 15.139 11.803 53.568 1.00 0.00 ATOM 849 C GLN A 108 14.212 11.030 53.696 1.00 0.00 ATOM 850 N ASN A 109 13.706 10.364 52.669 1.00 0.00 ATOM 851 CA ASN A 109 14.262 10.485 51.311 1.00 0.00 ATOM 852 CB ASN A 109 14.410 9.096 50.705 1.00 0.00 ATOM 853 CG ASN A 109 15.254 8.203 51.564 1.00 0.00 ATOM 854 ND2 ASN A 109 16.417 8.707 51.995 1.00 0.00 ATOM 855 OD1 ASN A 109 14.846 7.096 51.890 1.00 0.00 ATOM 856 O ASN A 109 13.522 11.194 49.163 1.00 0.00 ATOM 857 C ASN A 109 13.461 11.359 50.366 1.00 0.00 ATOM 858 N GLU A 110 12.695 12.281 50.910 1.00 0.00 ATOM 859 CA GLU A 110 11.848 13.129 50.082 1.00 0.00 ATOM 860 CB GLU A 110 10.983 14.015 50.945 1.00 0.00 ATOM 861 CG GLU A 110 11.750 14.983 51.881 1.00 0.00 ATOM 862 CD GLU A 110 10.828 15.717 52.859 1.00 0.00 ATOM 863 OE1 GLU A 110 9.661 15.303 53.025 1.00 0.00 ATOM 864 OE2 GLU A 110 11.267 16.711 53.462 1.00 0.00 ATOM 865 O GLU A 110 13.811 14.376 49.467 1.00 0.00 ATOM 866 C GLU A 110 12.713 13.984 49.135 1.00 0.00 ATOM 867 N HIS A 111 12.195 14.265 47.956 1.00 0.00 ATOM 868 CA HIS A 111 12.942 14.970 46.937 1.00 0.00 ATOM 869 CB HIS A 111 12.129 14.999 45.646 1.00 0.00 ATOM 870 CG HIS A 111 12.904 15.447 44.455 1.00 0.00 ATOM 871 CD2 HIS A 111 13.287 14.780 43.342 1.00 0.00 ATOM 872 ND1 HIS A 111 13.382 16.734 44.321 1.00 0.00 ATOM 873 CE1 HIS A 111 14.047 16.832 43.185 1.00 0.00 ATOM 874 NE2 HIS A 111 13.979 15.669 42.557 1.00 0.00 ATOM 875 O HIS A 111 12.351 17.018 48.049 1.00 0.00 ATOM 876 C HIS A 111 13.218 16.401 47.440 1.00 0.00 ATOM 877 N PRO A 112 14.438 16.921 47.212 1.00 0.00 ATOM 878 CA PRO A 112 14.711 18.303 47.631 1.00 0.00 ATOM 879 CB PRO A 112 16.092 18.585 47.035 1.00 0.00 ATOM 880 CG PRO A 112 16.736 17.273 46.940 1.00 0.00 ATOM 881 CD PRO A 112 15.646 16.247 46.700 1.00 0.00 ATOM 882 O PRO A 112 13.478 20.325 47.930 1.00 0.00 ATOM 883 C PRO A 112 13.688 19.351 47.199 1.00 0.00 ATOM 884 N VAL A 113 13.050 19.159 46.045 1.00 0.00 ATOM 885 CA VAL A 113 12.028 20.115 45.544 1.00 0.00 ATOM 886 CB VAL A 113 11.597 19.744 44.106 1.00 0.00 ATOM 887 CG1 VAL A 113 10.349 20.493 43.663 1.00 0.00 ATOM 888 CG2 VAL A 113 12.769 19.939 43.134 1.00 0.00 ATOM 889 O VAL A 113 10.313 21.228 46.838 1.00 0.00 ATOM 890 C VAL A 113 10.829 20.149 46.491 1.00 0.00 ATOM 891 N PHE A 114 10.433 18.964 46.950 1.00 0.00 ATOM 892 CA PHE A 114 9.315 18.829 47.900 1.00 0.00 ATOM 893 CB PHE A 114 8.641 17.459 47.778 1.00 0.00 ATOM 894 CG PHE A 114 7.706 17.393 46.595 1.00 0.00 ATOM 895 CD1 PHE A 114 8.197 17.166 45.321 1.00 0.00 ATOM 896 CD2 PHE A 114 6.348 17.652 46.749 1.00 0.00 ATOM 897 CE1 PHE A 114 7.346 17.161 44.232 1.00 0.00 ATOM 898 CE2 PHE A 114 5.496 17.644 45.668 1.00 0.00 ATOM 899 CZ PHE A 114 5.977 17.403 44.406 1.00 0.00 ATOM 900 O PHE A 114 8.874 19.851 49.986 1.00 0.00 ATOM 901 C PHE A 114 9.675 19.214 49.322 1.00 0.00 ATOM 902 N ALA A 115 10.902 18.940 49.762 1.00 0.00 ATOM 903 CA ALA A 115 11.355 19.520 51.040 1.00 0.00 ATOM 904 CB ALA A 115 12.771 19.064 51.394 1.00 0.00 ATOM 905 O ALA A 115 10.717 21.652 52.004 1.00 0.00 ATOM 906 C ALA A 115 11.228 21.055 51.034 1.00 0.00 ATOM 907 N TYR A 116 11.628 21.677 49.919 1.00 0.00 ATOM 908 CA TYR A 116 11.607 23.112 49.787 1.00 0.00 ATOM 909 CB TYR A 116 12.355 23.555 48.504 1.00 0.00 ATOM 910 CG TYR A 116 12.140 25.034 48.170 1.00 0.00 ATOM 911 CD1 TYR A 116 12.947 26.009 48.724 1.00 0.00 ATOM 912 CD2 TYR A 116 11.113 25.444 47.323 1.00 0.00 ATOM 913 CE1 TYR A 116 12.766 27.344 48.442 1.00 0.00 ATOM 914 CE2 TYR A 116 10.937 26.789 47.008 1.00 0.00 ATOM 915 CZ TYR A 116 11.760 27.730 47.588 1.00 0.00 ATOM 916 OH TYR A 116 11.593 29.070 47.320 1.00 0.00 ATOM 917 O TYR A 116 9.791 24.564 50.486 1.00 0.00 ATOM 918 C TYR A 116 10.152 23.639 49.764 1.00 0.00 ATOM 919 N LEU A 117 9.335 23.043 48.929 1.00 0.00 ATOM 920 CA LEU A 117 7.967 23.531 48.725 1.00 0.00 ATOM 921 CB LEU A 117 7.312 22.849 47.516 1.00 0.00 ATOM 922 CG LEU A 117 7.840 23.231 46.123 1.00 0.00 ATOM 923 CD1 LEU A 117 7.247 22.275 45.060 1.00 0.00 ATOM 924 CD2 LEU A 117 7.580 24.705 45.732 1.00 0.00 ATOM 925 O LEU A 117 6.306 24.243 50.291 1.00 0.00 ATOM 926 C LEU A 117 7.102 23.357 49.976 1.00 0.00 ATOM 927 N LYS A 118 7.255 22.243 50.693 1.00 0.00 ATOM 928 CA LYS A 118 6.447 22.002 51.895 1.00 0.00 ATOM 929 CB LYS A 118 6.496 20.540 52.341 1.00 0.00 ATOM 930 CG LYS A 118 5.935 19.577 51.324 1.00 0.00 ATOM 931 CD LYS A 118 5.877 18.151 51.850 1.00 0.00 ATOM 932 CE LYS A 118 7.205 17.559 52.093 1.00 0.00 ATOM 933 NZ LYS A 118 7.131 16.168 52.672 1.00 0.00 ATOM 934 O LYS A 118 6.058 23.217 53.947 1.00 0.00 ATOM 935 C LYS A 118 6.852 22.918 53.050 1.00 0.00 ATOM 936 N ASP A 119 8.092 23.354 53.008 1.00 0.00 ATOM 937 CA ASP A 119 8.606 24.314 53.948 1.00 0.00 ATOM 938 CB ASP A 119 10.138 24.361 53.851 1.00 0.00 ATOM 939 CG ASP A 119 10.740 25.218 54.927 1.00 0.00 ATOM 940 OD1 ASP A 119 10.608 24.845 56.119 1.00 0.00 ATOM 941 OD2 ASP A 119 11.324 26.267 54.580 1.00 0.00 ATOM 942 O ASP A 119 7.748 26.431 54.610 1.00 0.00 ATOM 943 C ASP A 119 8.062 25.705 53.683 1.00 0.00 ATOM 944 N LYS A 120 7.997 26.093 52.405 1.00 0.00 ATOM 945 CA LYS A 120 7.443 27.395 52.051 1.00 0.00 ATOM 946 CB LYS A 120 7.876 27.786 50.649 1.00 0.00 ATOM 947 CG LYS A 120 9.359 27.930 50.518 1.00 0.00 ATOM 948 CD LYS A 120 9.876 29.077 51.362 1.00 0.00 ATOM 949 CE LYS A 120 11.305 29.415 51.043 1.00 0.00 ATOM 950 NZ LYS A 120 11.602 30.863 51.363 1.00 0.00 ATOM 951 O LYS A 120 5.343 28.395 52.497 1.00 0.00 ATOM 952 C LYS A 120 5.935 27.397 52.157 1.00 0.00 ATOM 953 N LEU A 121 5.306 26.262 51.878 1.00 0.00 ATOM 954 CA LEU A 121 3.850 26.186 51.830 1.00 0.00 ATOM 955 CB LEU A 121 3.380 26.123 50.367 1.00 0.00 ATOM 956 CG LEU A 121 3.638 27.307 49.417 1.00 0.00 ATOM 957 CD1 LEU A 121 3.447 26.809 47.988 1.00 0.00 ATOM 958 CD2 LEU A 121 2.758 28.551 49.771 1.00 0.00 ATOM 959 O LEU A 121 3.093 23.910 52.008 1.00 0.00 ATOM 960 C LEU A 121 3.404 24.949 52.616 1.00 0.00 ATOM 961 N PRO A 122 3.412 25.043 53.971 1.00 0.00 ATOM 962 CA PRO A 122 3.219 23.878 54.853 1.00 0.00 ATOM 963 CB PRO A 122 3.631 24.408 56.239 1.00 0.00 ATOM 964 CG PRO A 122 3.575 25.882 56.164 1.00 0.00 ATOM 965 CD PRO A 122 3.609 26.299 54.725 1.00 0.00 ATOM 966 O PRO A 122 1.631 22.154 55.370 1.00 0.00 ATOM 967 C PRO A 122 1.799 23.264 54.872 1.00 0.00 ATOM 968 N TYR A 123 0.781 23.955 54.343 1.00 0.00 ATOM 969 CA TYR A 123 -0.524 23.310 54.135 1.00 0.00 ATOM 970 CB TYR A 123 -1.396 23.406 55.394 1.00 0.00 ATOM 971 CG TYR A 123 -1.692 24.812 55.741 1.00 0.00 ATOM 972 CD1 TYR A 123 -2.725 25.509 55.067 1.00 0.00 ATOM 973 CD2 TYR A 123 -0.936 25.481 56.695 1.00 0.00 ATOM 974 CE1 TYR A 123 -3.004 26.844 55.339 1.00 0.00 ATOM 975 CE2 TYR A 123 -1.210 26.840 56.991 1.00 0.00 ATOM 976 CZ TYR A 123 -2.244 27.506 56.306 1.00 0.00 ATOM 977 OH TYR A 123 -2.531 28.821 56.583 1.00 0.00 ATOM 978 O TYR A 123 -1.027 24.941 52.490 1.00 0.00 ATOM 979 C TYR A 123 -1.276 23.834 52.930 1.00 0.00 ATOM 980 N PRO A 124 -2.200 23.019 52.394 1.00 0.00 ATOM 981 CA PRO A 124 -3.055 23.416 51.304 1.00 0.00 ATOM 982 CB PRO A 124 -3.829 22.123 50.956 1.00 0.00 ATOM 983 CG PRO A 124 -2.977 21.022 51.478 1.00 0.00 ATOM 984 CD PRO A 124 -2.446 21.614 52.761 1.00 0.00 ATOM 985 O PRO A 124 -4.691 24.421 52.712 1.00 0.00 ATOM 986 C PRO A 124 -4.023 24.515 51.699 1.00 0.00 ATOM 987 N TYR A 125 -4.084 25.532 50.861 1.00 0.00 ATOM 988 CA TYR A 125 -4.948 26.676 51.039 1.00 0.00 ATOM 989 CB TYR A 125 -4.802 27.583 49.818 1.00 0.00 ATOM 990 CG TYR A 125 -5.504 28.904 49.906 1.00 0.00 ATOM 991 CD1 TYR A 125 -5.010 29.905 50.715 1.00 0.00 ATOM 992 CD2 TYR A 125 -6.627 29.172 49.131 1.00 0.00 ATOM 993 CE1 TYR A 125 -5.627 31.141 50.790 1.00 0.00 ATOM 994 CE2 TYR A 125 -7.260 30.414 49.199 1.00 0.00 ATOM 995 CZ TYR A 125 -6.742 31.391 50.037 1.00 0.00 ATOM 996 OH TYR A 125 -7.336 32.632 50.126 1.00 0.00 ATOM 997 O TYR A 125 -7.059 26.889 52.061 1.00 0.00 ATOM 998 C TYR A 125 -6.407 26.308 51.216 1.00 0.00 ATOM 999 N ASP A 126 -6.898 25.376 50.397 1.00 0.00 ATOM 1000 CA ASP A 126 -8.322 24.978 50.332 1.00 0.00 ATOM 1001 CB ASP A 126 -8.651 24.354 48.959 1.00 0.00 ATOM 1002 CG ASP A 126 -7.750 23.152 48.628 1.00 0.00 ATOM 1003 OD1 ASP A 126 -8.239 22.058 48.293 1.00 0.00 ATOM 1004 OD2 ASP A 126 -6.532 23.317 48.725 1.00 0.00 ATOM 1005 O ASP A 126 -9.860 23.734 51.653 1.00 0.00 ATOM 1006 C ASP A 126 -8.700 23.959 51.404 1.00 0.00 ATOM 1007 N ASP A 127 -7.713 23.282 51.976 1.00 0.00 ATOM 1008 CA ASP A 127 -7.974 22.256 52.978 1.00 0.00 ATOM 1009 CB ASP A 127 -8.305 20.913 52.335 1.00 0.00 ATOM 1010 CG ASP A 127 -8.570 19.820 53.375 1.00 0.00 ATOM 1011 OD1 ASP A 127 -8.364 20.074 54.586 1.00 0.00 ATOM 1012 OD2 ASP A 127 -8.987 18.716 52.983 1.00 0.00 ATOM 1013 O ASP A 127 -5.864 21.264 53.601 1.00 0.00 ATOM 1014 C ASP A 127 -6.723 22.143 53.828 1.00 0.00 ATOM 1015 N PRO A 128 -6.592 23.055 54.792 1.00 0.00 ATOM 1016 CA PRO A 128 -5.383 23.102 55.611 1.00 0.00 ATOM 1017 CB PRO A 128 -5.525 24.429 56.387 1.00 0.00 ATOM 1018 CG PRO A 128 -6.755 25.100 55.901 1.00 0.00 ATOM 1019 CD PRO A 128 -7.574 24.082 55.171 1.00 0.00 ATOM 1020 O PRO A 128 -4.180 21.725 57.094 1.00 0.00 ATOM 1021 C PRO A 128 -5.249 21.942 56.619 1.00 0.00 ATOM 1022 N PHE A 129 -6.310 21.225 56.967 1.00 0.00 ATOM 1023 CA PHE A 129 -6.251 20.281 58.109 1.00 0.00 ATOM 1024 CB PHE A 129 -7.411 20.561 59.036 1.00 0.00 ATOM 1025 CG PHE A 129 -7.512 22.000 59.429 1.00 0.00 ATOM 1026 CD1 PHE A 129 -8.585 22.779 59.000 1.00 0.00 ATOM 1027 CD2 PHE A 129 -6.488 22.594 60.182 1.00 0.00 ATOM 1028 CE1 PHE A 129 -8.661 24.131 59.353 1.00 0.00 ATOM 1029 CE2 PHE A 129 -6.550 23.939 60.535 1.00 0.00 ATOM 1030 CZ PHE A 129 -7.643 24.709 60.124 1.00 0.00 ATOM 1031 O PHE A 129 -5.733 18.011 58.599 1.00 0.00 ATOM 1032 C PHE A 129 -6.236 18.792 57.797 1.00 0.00 ATOM 1033 N SER A 130 -6.813 18.374 56.667 1.00 0.00 ATOM 1034 CA SER A 130 -6.940 16.941 56.387 1.00 0.00 ATOM 1035 CB SER A 130 -7.795 16.682 55.152 1.00 0.00 ATOM 1036 OG SER A 130 -9.033 17.292 55.281 1.00 0.00 ATOM 1037 O SER A 130 -4.740 17.087 55.522 1.00 0.00 ATOM 1038 C SER A 130 -5.565 16.399 56.119 1.00 0.00 ATOM 1039 N LEU A 131 -5.301 15.185 56.579 1.00 0.00 ATOM 1040 CA LEU A 131 -4.071 14.490 56.215 1.00 0.00 ATOM 1041 CB LEU A 131 -3.075 14.423 57.388 1.00 0.00 ATOM 1042 CG LEU A 131 -1.641 13.920 57.087 1.00 0.00 ATOM 1043 CD1 LEU A 131 -0.983 14.695 55.905 1.00 0.00 ATOM 1044 CD2 LEU A 131 -0.755 13.949 58.351 1.00 0.00 ATOM 1045 O LEU A 131 -3.933 12.767 54.566 1.00 0.00 ATOM 1046 C LEU A 131 -4.391 13.095 55.644 1.00 0.00 ATOM 1047 N MET A 132 -5.160 12.281 56.359 1.00 0.00 ATOM 1048 CA MET A 132 -5.485 10.922 55.896 1.00 0.00 ATOM 1049 CB MET A 132 -4.252 9.990 56.020 1.00 0.00 ATOM 1050 CG MET A 132 -4.312 8.738 55.140 1.00 0.00 ATOM 1051 SD MET A 132 -3.804 9.064 53.419 1.00 0.00 ATOM 1052 CE MET A 132 -2.005 9.301 53.539 1.00 0.00 ATOM 1053 O MET A 132 -6.624 10.383 57.899 1.00 0.00 ATOM 1054 C MET A 132 -6.639 10.343 56.700 1.00 0.00 ATOM 1055 N THR A 133 -7.615 9.757 56.034 1.00 0.00 ATOM 1056 CA THR A 133 -8.703 9.099 56.733 1.00 0.00 ATOM 1057 CB THR A 133 -9.902 8.925 55.791 1.00 0.00 ATOM 1058 CG2 THR A 133 -11.109 8.262 56.514 1.00 0.00 ATOM 1059 OG1 THR A 133 -10.287 10.226 55.347 1.00 0.00 ATOM 1060 O THR A 133 -8.405 7.492 58.520 1.00 0.00 ATOM 1061 C THR A 133 -8.210 7.762 57.339 1.00 0.00 ATOM 1062 N ASP A 134 -7.528 6.962 56.538 1.00 0.00 ATOM 1063 CA ASP A 134 -7.069 5.646 56.961 1.00 0.00 ATOM 1064 CB ASP A 134 -7.302 4.630 55.836 1.00 0.00 ATOM 1065 CG ASP A 134 -6.753 3.232 56.153 1.00 0.00 ATOM 1066 OD1 ASP A 134 -6.347 2.957 57.316 1.00 0.00 ATOM 1067 OD2 ASP A 134 -6.747 2.400 55.214 1.00 0.00 ATOM 1068 O ASP A 134 -4.753 5.908 56.438 1.00 0.00 ATOM 1069 C ASP A 134 -5.587 5.730 57.322 1.00 0.00 ATOM 1070 N PRO A 135 -5.255 5.622 58.630 1.00 0.00 ATOM 1071 CA PRO A 135 -3.883 5.812 59.081 1.00 0.00 ATOM 1072 CB PRO A 135 -4.009 5.720 60.613 1.00 0.00 ATOM 1073 CG PRO A 135 -5.205 4.810 60.810 1.00 0.00 ATOM 1074 CD PRO A 135 -6.149 5.314 59.760 1.00 0.00 ATOM 1075 O PRO A 135 -1.713 5.025 58.445 1.00 0.00 ATOM 1076 C PRO A 135 -2.912 4.770 58.502 1.00 0.00 ATOM 1077 N LYS A 136 -3.435 3.630 58.036 1.00 0.00 ATOM 1078 CA LYS A 136 -2.613 2.593 57.415 1.00 0.00 ATOM 1079 CB LYS A 136 -3.432 1.333 57.126 1.00 0.00 ATOM 1080 CG LYS A 136 -3.785 0.560 58.367 1.00 0.00 ATOM 1081 CD LYS A 136 -4.270 -0.888 58.003 1.00 0.00 ATOM 1082 CE LYS A 136 -5.387 -0.921 56.920 1.00 0.00 ATOM 1083 NZ LYS A 136 -6.596 -0.086 57.260 1.00 0.00 ATOM 1084 O LYS A 136 -0.966 2.440 55.739 1.00 0.00 ATOM 1085 C LYS A 136 -1.959 3.025 56.120 1.00 0.00 ATOM 1086 N LEU A 137 -2.531 4.037 55.466 1.00 0.00 ATOM 1087 CA LEU A 137 -2.012 4.608 54.221 1.00 0.00 ATOM 1088 CB LEU A 137 -3.141 5.305 53.438 1.00 0.00 ATOM 1089 CG LEU A 137 -4.270 4.398 52.918 1.00 0.00 ATOM 1090 CD1 LEU A 137 -5.455 5.208 52.295 1.00 0.00 ATOM 1091 CD2 LEU A 137 -3.736 3.351 51.926 1.00 0.00 ATOM 1092 O LEU A 137 -0.171 5.952 53.460 1.00 0.00 ATOM 1093 C LEU A 137 -0.850 5.565 54.432 1.00 0.00 ATOM 1094 N ILE A 138 -0.556 5.888 55.686 1.00 0.00 ATOM 1095 CA ILE A 138 0.660 6.642 56.010 1.00 0.00 ATOM 1096 CB ILE A 138 0.468 7.528 57.250 1.00 0.00 ATOM 1097 CG1 ILE A 138 -0.687 8.482 57.035 1.00 0.00 ATOM 1098 CG2 ILE A 138 1.730 8.337 57.534 1.00 0.00 ATOM 1099 CD1 ILE A 138 -1.097 9.207 58.294 1.00 0.00 ATOM 1100 O ILE A 138 1.878 4.913 57.199 1.00 0.00 ATOM 1101 C ILE A 138 1.807 5.640 56.198 1.00 0.00 ATOM 1102 N ILE A 139 2.682 5.581 55.203 1.00 0.00 ATOM 1103 CA ILE A 139 3.639 4.516 55.119 1.00 0.00 ATOM 1104 CB ILE A 139 3.427 3.637 53.848 1.00 0.00 ATOM 1105 CG1 ILE A 139 3.558 4.466 52.563 1.00 0.00 ATOM 1106 CG2 ILE A 139 2.059 2.838 53.954 1.00 0.00 ATOM 1107 CD1 ILE A 139 3.693 3.624 51.283 1.00 0.00 ATOM 1108 O ILE A 139 5.971 4.169 55.355 1.00 0.00 ATOM 1109 C ILE A 139 5.081 4.995 55.219 1.00 0.00 ATOM 1110 N TRP A 140 5.277 6.312 55.238 1.00 0.00 ATOM 1111 CA TRP A 140 6.598 6.921 55.237 1.00 0.00 ATOM 1112 CB TRP A 140 6.630 8.145 54.275 1.00 0.00 ATOM 1113 CG TRP A 140 5.605 9.143 54.585 1.00 0.00 ATOM 1114 CD1 TRP A 140 5.715 10.184 55.476 1.00 0.00 ATOM 1115 CD2 TRP A 140 4.255 9.186 54.087 1.00 0.00 ATOM 1116 CE2 TRP A 140 3.604 10.257 54.737 1.00 0.00 ATOM 1117 CE3 TRP A 140 3.527 8.400 53.182 1.00 0.00 ATOM 1118 NE1 TRP A 140 4.518 10.851 55.565 1.00 0.00 ATOM 1119 CZ2 TRP A 140 2.277 10.612 54.460 1.00 0.00 ATOM 1120 CZ3 TRP A 140 2.184 8.754 52.914 1.00 0.00 ATOM 1121 CH2 TRP A 140 1.585 9.843 53.561 1.00 0.00 ATOM 1122 O TRP A 140 6.292 7.295 57.615 1.00 0.00 ATOM 1123 C TRP A 140 7.060 7.302 56.650 1.00 0.00 ATOM 1124 N SER A 141 8.335 7.658 56.744 1.00 0.00 ATOM 1125 CA SER A 141 8.964 8.000 57.992 1.00 0.00 ATOM 1126 CB SER A 141 9.521 6.734 58.659 1.00 0.00 ATOM 1127 OG SER A 141 10.096 7.073 59.916 1.00 0.00 ATOM 1128 O SER A 141 10.874 8.902 56.830 1.00 0.00 ATOM 1129 C SER A 141 10.084 9.041 57.748 1.00 0.00 ATOM 1130 N PRO A 142 10.126 10.125 58.541 1.00 0.00 ATOM 1131 CA PRO A 142 9.139 10.494 59.540 1.00 0.00 ATOM 1132 CB PRO A 142 9.877 11.521 60.398 1.00 0.00 ATOM 1133 CG PRO A 142 10.812 12.199 59.465 1.00 0.00 ATOM 1134 CD PRO A 142 11.214 11.118 58.449 1.00 0.00 ATOM 1135 O PRO A 142 7.902 11.496 57.706 1.00 0.00 ATOM 1136 C PRO A 142 7.904 11.107 58.886 1.00 0.00 ATOM 1137 N VAL A 143 6.848 11.182 59.678 1.00 0.00 ATOM 1138 CA VAL A 143 5.609 11.855 59.309 1.00 0.00 ATOM 1139 CB VAL A 143 4.391 11.068 59.832 1.00 0.00 ATOM 1140 CG1 VAL A 143 3.062 11.608 59.232 1.00 0.00 ATOM 1141 CG2 VAL A 143 4.574 9.556 59.558 1.00 0.00 ATOM 1142 O VAL A 143 5.971 13.438 61.110 1.00 0.00 ATOM 1143 C VAL A 143 5.639 13.257 59.920 1.00 0.00 ATOM 1144 N ARG A 144 5.359 14.230 59.061 1.00 0.00 ATOM 1145 CA ARG A 144 5.352 15.649 59.421 1.00 0.00 ATOM 1146 CB ARG A 144 6.525 16.373 58.735 1.00 0.00 ATOM 1147 CG ARG A 144 7.897 15.674 58.939 1.00 0.00 ATOM 1148 CD ARG A 144 9.031 16.471 58.326 1.00 0.00 ATOM 1149 NE ARG A 144 10.340 16.164 58.914 1.00 0.00 ATOM 1150 CZ ARG A 144 11.499 16.693 58.504 1.00 0.00 ATOM 1151 NH1 ARG A 144 11.550 17.528 57.471 1.00 0.00 ATOM 1152 NH2 ARG A 144 12.622 16.358 59.121 1.00 0.00 ATOM 1153 O ARG A 144 3.270 15.781 58.183 1.00 0.00 ATOM 1154 C ARG A 144 3.986 16.276 59.062 1.00 0.00 ATOM 1155 N ARG A 145 3.622 17.335 59.779 1.00 0.00 ATOM 1156 CA ARG A 145 2.303 17.996 59.650 1.00 0.00 ATOM 1157 CB ARG A 145 2.161 19.088 60.718 1.00 0.00 ATOM 1158 CG ARG A 145 2.314 18.611 62.142 1.00 0.00 ATOM 1159 CD ARG A 145 2.062 19.735 63.132 1.00 0.00 ATOM 1160 NE ARG A 145 2.282 19.302 64.503 1.00 0.00 ATOM 1161 CZ ARG A 145 1.378 18.657 65.240 1.00 0.00 ATOM 1162 NH1 ARG A 145 0.191 18.388 64.744 1.00 0.00 ATOM 1163 NH2 ARG A 145 1.676 18.244 66.463 1.00 0.00 ATOM 1164 O ARG A 145 0.958 18.765 57.805 1.00 0.00 ATOM 1165 C ARG A 145 2.084 18.607 58.263 1.00 0.00 ATOM 1166 N SER A 146 3.181 18.954 57.611 1.00 0.00 ATOM 1167 CA SER A 146 3.185 19.514 56.281 1.00 0.00 ATOM 1168 CB SER A 146 4.397 20.445 56.149 1.00 0.00 ATOM 1169 OG SER A 146 5.615 19.797 56.496 1.00 0.00 ATOM 1170 O SER A 146 3.276 18.872 53.983 1.00 0.00 ATOM 1171 C SER A 146 3.216 18.502 55.150 1.00 0.00 ATOM 1172 N ASP A 147 3.181 17.219 55.468 1.00 0.00 ATOM 1173 CA ASP A 147 3.312 16.197 54.437 1.00 0.00 ATOM 1174 CB ASP A 147 3.345 14.818 55.089 1.00 0.00 ATOM 1175 CG ASP A 147 4.693 14.490 55.730 1.00 0.00 ATOM 1176 OD1 ASP A 147 5.709 15.217 55.519 1.00 0.00 ATOM 1177 OD2 ASP A 147 4.721 13.478 56.458 1.00 0.00 ATOM 1178 O ASP A 147 1.057 16.583 53.560 1.00 0.00 ATOM 1179 C ASP A 147 2.245 16.236 53.330 1.00 0.00 ATOM 1180 N VAL A 148 2.671 15.917 52.109 1.00 0.00 ATOM 1181 CA VAL A 148 1.719 15.652 51.037 1.00 0.00 ATOM 1182 CB VAL A 148 2.429 15.383 49.700 1.00 0.00 ATOM 1183 CG1 VAL A 148 1.434 14.893 48.612 1.00 0.00 ATOM 1184 CG2 VAL A 148 3.134 16.634 49.258 1.00 0.00 ATOM 1185 O VAL A 148 1.195 13.503 52.007 1.00 0.00 ATOM 1186 C VAL A 148 0.764 14.520 51.467 1.00 0.00 ATOM 1187 N ALA A 149 -0.531 14.739 51.239 1.00 0.00 ATOM 1188 CA ALA A 149 -1.589 13.902 51.781 1.00 0.00 ATOM 1189 CB ALA A 149 -2.797 14.774 52.221 1.00 0.00 ATOM 1190 O ALA A 149 -2.450 11.724 51.257 1.00 0.00 ATOM 1191 C ALA A 149 -2.037 12.785 50.819 1.00 0.00 ATOM 1192 N TRP A 150 -1.950 13.032 49.519 1.00 0.00 ATOM 1193 CA TRP A 150 -2.303 12.047 48.526 1.00 0.00 ATOM 1194 CB TRP A 150 -3.840 11.920 48.398 1.00 0.00 ATOM 1195 CG TRP A 150 -4.286 10.595 47.869 1.00 0.00 ATOM 1196 CD1 TRP A 150 -4.940 10.354 46.667 1.00 0.00 ATOM 1197 CD2 TRP A 150 -4.095 9.305 48.477 1.00 0.00 ATOM 1198 CE2 TRP A 150 -4.667 8.339 47.601 1.00 0.00 ATOM 1199 CE3 TRP A 150 -3.506 8.869 49.667 1.00 0.00 ATOM 1200 NE1 TRP A 150 -5.167 9.010 46.516 1.00 0.00 ATOM 1201 CZ2 TRP A 150 -4.665 6.970 47.890 1.00 0.00 ATOM 1202 CZ3 TRP A 150 -3.479 7.509 49.940 1.00 0.00 ATOM 1203 CH2 TRP A 150 -4.077 6.574 49.058 1.00 0.00 ATOM 1204 O TRP A 150 -0.936 13.436 47.070 1.00 0.00 ATOM 1205 C TRP A 150 -1.667 12.420 47.197 1.00 0.00 ATOM 1206 N ASN A 151 -1.915 11.572 46.205 1.00 0.00 ATOM 1207 CA ASN A 151 -1.514 11.867 44.840 1.00 0.00 ATOM 1208 CB ASN A 151 -1.964 10.734 43.899 1.00 0.00 ATOM 1209 CG ASN A 151 -1.419 9.412 44.304 1.00 0.00 ATOM 1210 ND2 ASN A 151 -2.306 8.483 44.658 1.00 0.00 ATOM 1211 OD1 ASN A 151 -0.196 9.226 44.352 1.00 0.00 ATOM 1212 O ASN A 151 -3.288 13.456 44.866 1.00 0.00 ATOM 1213 C ASN A 151 -2.167 13.178 44.433 1.00 0.00 ATOM 1214 N PHE A 152 -1.473 13.958 43.610 1.00 0.00 ATOM 1215 CA PHE A 152 -2.010 15.209 43.051 1.00 0.00 ATOM 1216 CB PHE A 152 -3.186 14.921 42.120 1.00 0.00 ATOM 1217 CG PHE A 152 -2.851 13.962 40.989 1.00 0.00 ATOM 1218 CD1 PHE A 152 -2.208 14.415 39.842 1.00 0.00 ATOM 1219 CD2 PHE A 152 -3.208 12.617 41.068 1.00 0.00 ATOM 1220 CE1 PHE A 152 -1.904 13.540 38.799 1.00 0.00 ATOM 1221 CE2 PHE A 152 -2.934 11.739 40.033 1.00 0.00 ATOM 1222 CZ PHE A 152 -2.284 12.195 38.894 1.00 0.00 ATOM 1223 O PHE A 152 -3.368 16.996 43.984 1.00 0.00 ATOM 1224 C PHE A 152 -2.333 16.338 44.056 1.00 0.00 ATOM 1225 N GLU A 153 -1.400 16.602 44.956 1.00 0.00 ATOM 1226 CA GLU A 153 -1.297 17.933 45.516 1.00 0.00 ATOM 1227 CB GLU A 153 -0.623 17.931 46.885 1.00 0.00 ATOM 1228 CG GLU A 153 -1.503 17.359 47.963 1.00 0.00 ATOM 1229 CD GLU A 153 -1.044 17.733 49.356 1.00 0.00 ATOM 1230 OE1 GLU A 153 -0.040 18.470 49.498 1.00 0.00 ATOM 1231 OE2 GLU A 153 -1.684 17.281 50.317 1.00 0.00 ATOM 1232 O GLU A 153 0.189 18.332 43.653 1.00 0.00 ATOM 1233 C GLU A 153 -0.530 18.820 44.513 1.00 0.00 ATOM 1234 N LYS A 154 -0.724 20.125 44.638 1.00 0.00 ATOM 1235 CA LYS A 154 -0.376 21.092 43.607 1.00 0.00 ATOM 1236 CB LYS A 154 -1.664 21.465 42.838 1.00 0.00 ATOM 1237 CG LYS A 154 -2.623 20.227 42.780 1.00 0.00 ATOM 1238 CD LYS A 154 -3.853 20.349 42.079 1.00 0.00 ATOM 1239 CE LYS A 154 -4.509 18.939 41.848 1.00 0.00 ATOM 1240 NZ LYS A 154 -5.322 18.491 43.010 1.00 0.00 ATOM 1241 O LYS A 154 -0.164 22.700 45.353 1.00 0.00 ATOM 1242 C LYS A 154 0.282 22.284 44.300 1.00 0.00 ATOM 1243 N PHE A 155 1.394 22.765 43.734 1.00 0.00 ATOM 1244 CA PHE A 155 2.173 23.880 44.272 1.00 0.00 ATOM 1245 CB PHE A 155 3.543 23.397 44.758 1.00 0.00 ATOM 1246 CG PHE A 155 3.477 22.397 45.879 1.00 0.00 ATOM 1247 CD1 PHE A 155 3.659 22.788 47.190 1.00 0.00 ATOM 1248 CD2 PHE A 155 3.240 21.043 45.611 1.00 0.00 ATOM 1249 CE1 PHE A 155 3.616 21.830 48.225 1.00 0.00 ATOM 1250 CE2 PHE A 155 3.160 20.104 46.624 1.00 0.00 ATOM 1251 CZ PHE A 155 3.359 20.485 47.918 1.00 0.00 ATOM 1252 O PHE A 155 2.946 24.513 42.108 1.00 0.00 ATOM 1253 C PHE A 155 2.379 24.878 43.130 1.00 0.00 ATOM 1254 N LEU A 156 1.851 26.094 43.273 1.00 0.00 ATOM 1255 CA LEU A 156 2.069 27.135 42.297 1.00 0.00 ATOM 1256 CB LEU A 156 0.793 27.893 42.031 1.00 0.00 ATOM 1257 CG LEU A 156 0.840 28.966 40.947 1.00 0.00 ATOM 1258 CD1 LEU A 156 1.280 28.385 39.546 1.00 0.00 ATOM 1259 CD2 LEU A 156 -0.497 29.679 40.895 1.00 0.00 ATOM 1260 O LEU A 156 3.033 28.647 43.910 1.00 0.00 ATOM 1261 C LEU A 156 3.144 28.122 42.791 1.00 0.00 ATOM 1262 N ILE A 157 4.146 28.367 41.942 1.00 0.00 ATOM 1263 CA ILE A 157 5.242 29.315 42.233 1.00 0.00 ATOM 1264 CB ILE A 157 6.608 28.607 42.200 1.00 0.00 ATOM 1265 CG1 ILE A 157 6.597 27.353 43.102 1.00 0.00 ATOM 1266 CG2 ILE A 157 7.786 29.596 42.539 1.00 0.00 ATOM 1267 CD1 ILE A 157 6.163 25.980 42.347 1.00 0.00 ATOM 1268 O ILE A 157 5.039 30.244 39.990 1.00 0.00 ATOM 1269 C ILE A 157 5.230 30.456 41.204 1.00 0.00 ATOM 1270 N GLY A 158 5.436 31.674 41.686 1.00 0.00 ATOM 1271 CA GLY A 158 5.403 32.810 40.819 1.00 0.00 ATOM 1272 O GLY A 158 7.655 32.320 40.149 1.00 0.00 ATOM 1273 C GLY A 158 6.622 32.988 39.950 1.00 0.00 ATOM 1274 N PRO A 159 6.516 33.906 38.971 1.00 0.00 ATOM 1275 CA PRO A 159 7.597 34.193 38.012 1.00 0.00 ATOM 1276 CB PRO A 159 6.934 35.137 36.997 1.00 0.00 ATOM 1277 CG PRO A 159 5.731 35.725 37.731 1.00 0.00 ATOM 1278 CD PRO A 159 5.312 34.726 38.743 1.00 0.00 ATOM 1279 O PRO A 159 9.953 34.797 37.975 1.00 0.00 ATOM 1280 C PRO A 159 8.898 34.785 38.620 1.00 0.00 ATOM 1281 N GLU A 160 8.831 35.250 39.854 1.00 0.00 ATOM 1282 CA GLU A 160 10.021 35.698 40.544 1.00 0.00 ATOM 1283 CB GLU A 160 9.781 37.061 41.199 1.00 0.00 ATOM 1284 CG GLU A 160 9.663 38.232 40.205 1.00 0.00 ATOM 1285 CD GLU A 160 8.209 38.648 39.923 1.00 0.00 ATOM 1286 OE1 GLU A 160 7.329 38.450 40.796 1.00 0.00 ATOM 1287 OE2 GLU A 160 7.939 39.178 38.819 1.00 0.00 ATOM 1288 O GLU A 160 11.531 34.938 42.236 1.00 0.00 ATOM 1289 C GLU A 160 10.565 34.666 41.542 1.00 0.00 ATOM 1290 N GLY A 161 9.971 33.476 41.570 1.00 0.00 ATOM 1291 CA GLY A 161 10.530 32.336 42.296 1.00 0.00 ATOM 1292 O GLY A 161 10.479 31.269 44.409 1.00 0.00 ATOM 1293 C GLY A 161 9.973 32.111 43.677 1.00 0.00 ATOM 1294 N GLU A 162 8.926 32.847 44.039 1.00 0.00 ATOM 1295 CA GLU A 162 8.348 32.775 45.382 1.00 0.00 ATOM 1296 CB GLU A 162 7.925 34.178 45.857 1.00 0.00 ATOM 1297 CG GLU A 162 7.754 34.274 47.371 1.00 0.00 ATOM 1298 CD GLU A 162 8.998 33.800 48.164 1.00 0.00 ATOM 1299 OE1 GLU A 162 10.155 34.090 47.742 1.00 0.00 ATOM 1300 OE2 GLU A 162 8.802 33.130 49.210 1.00 0.00 ATOM 1301 O GLU A 162 6.208 32.092 44.595 1.00 0.00 ATOM 1302 C GLU A 162 7.149 31.843 45.345 1.00 0.00 ATOM 1303 N PRO A 163 7.205 30.716 46.080 1.00 0.00 ATOM 1304 CA PRO A 163 5.993 29.888 46.092 1.00 0.00 ATOM 1305 CB PRO A 163 6.360 28.746 47.024 1.00 0.00 ATOM 1306 CG PRO A 163 7.860 28.637 46.898 1.00 0.00 ATOM 1307 CD PRO A 163 8.302 30.080 46.838 1.00 0.00 ATOM 1308 O PRO A 163 4.852 31.391 47.524 1.00 0.00 ATOM 1309 C PRO A 163 4.767 30.656 46.562 1.00 0.00 ATOM 1310 N PHE A 164 3.641 30.465 45.872 1.00 0.00 ATOM 1311 CA PHE A 164 2.463 31.284 46.066 1.00 0.00 ATOM 1312 CB PHE A 164 1.936 31.807 44.720 1.00 0.00 ATOM 1313 CG PHE A 164 0.583 32.467 44.829 1.00 0.00 ATOM 1314 CD1 PHE A 164 0.443 33.705 45.454 1.00 0.00 ATOM 1315 CD2 PHE A 164 -0.557 31.832 44.363 1.00 0.00 ATOM 1316 CE1 PHE A 164 -0.812 34.289 45.567 1.00 0.00 ATOM 1317 CE2 PHE A 164 -1.794 32.432 44.476 1.00 0.00 ATOM 1318 CZ PHE A 164 -1.916 33.641 45.097 1.00 0.00 ATOM 1319 O PHE A 164 0.777 31.011 47.743 1.00 0.00 ATOM 1320 C PHE A 164 1.352 30.519 46.798 1.00 0.00 ATOM 1321 N ARG A 165 1.041 29.321 46.337 1.00 0.00 ATOM 1322 CA ARG A 165 -0.066 28.590 46.887 1.00 0.00 ATOM 1323 CB ARG A 165 -1.381 29.103 46.255 1.00 0.00 ATOM 1324 CG ARG A 165 -2.638 28.585 46.888 1.00 0.00 ATOM 1325 CD ARG A 165 -3.824 29.479 46.645 1.00 0.00 ATOM 1326 NE ARG A 165 -3.677 30.721 47.360 1.00 0.00 ATOM 1327 CZ ARG A 165 -4.407 31.815 47.164 1.00 0.00 ATOM 1328 NH1 ARG A 165 -5.348 31.879 46.223 1.00 0.00 ATOM 1329 NH2 ARG A 165 -4.163 32.868 47.923 1.00 0.00 ATOM 1330 O ARG A 165 0.581 26.612 45.658 1.00 0.00 ATOM 1331 C ARG A 165 0.068 27.090 46.686 1.00 0.00 ATOM 1332 N ARG A 166 -0.429 26.357 47.681 1.00 0.00 ATOM 1333 CA ARG A 166 -0.553 24.934 47.632 1.00 0.00 ATOM 1334 CB ARG A 166 0.257 24.323 48.775 1.00 0.00 ATOM 1335 CG ARG A 166 0.103 22.817 48.959 1.00 0.00 ATOM 1336 CD ARG A 166 0.800 22.477 50.259 1.00 0.00 ATOM 1337 NE ARG A 166 0.774 21.072 50.577 1.00 0.00 ATOM 1338 CZ ARG A 166 1.445 20.531 51.598 1.00 0.00 ATOM 1339 NH1 ARG A 166 2.253 21.258 52.364 1.00 0.00 ATOM 1340 NH2 ARG A 166 1.316 19.252 51.847 1.00 0.00 ATOM 1341 O ARG A 166 -2.840 25.103 48.387 1.00 0.00 ATOM 1342 C ARG A 166 -2.028 24.533 47.655 1.00 0.00 ATOM 1343 N TYR A 167 -2.374 23.559 46.805 1.00 0.00 ATOM 1344 CA TYR A 167 -3.747 23.088 46.635 1.00 0.00 ATOM 1345 CB TYR A 167 -4.300 23.410 45.211 1.00 0.00 ATOM 1346 CG TYR A 167 -3.998 24.799 44.695 1.00 0.00 ATOM 1347 CD1 TYR A 167 -4.983 25.801 44.677 1.00 0.00 ATOM 1348 CD2 TYR A 167 -2.721 25.127 44.230 1.00 0.00 ATOM 1349 CE1 TYR A 167 -4.716 27.044 44.188 1.00 0.00 ATOM 1350 CE2 TYR A 167 -2.442 26.381 43.758 1.00 0.00 ATOM 1351 CZ TYR A 167 -3.435 27.326 43.710 1.00 0.00 ATOM 1352 OH TYR A 167 -3.133 28.568 43.238 1.00 0.00 ATOM 1353 O TYR A 167 -2.902 20.819 46.595 1.00 0.00 ATOM 1354 C TYR A 167 -3.817 21.577 46.919 1.00 0.00 ATOM 1355 N SER A 168 -4.926 21.151 47.514 1.00 0.00 ATOM 1356 CA SER A 168 -5.083 19.794 47.976 1.00 0.00 ATOM 1357 CB SER A 168 -6.114 19.710 49.124 1.00 0.00 ATOM 1358 OG SER A 168 -7.448 19.652 48.648 1.00 0.00 ATOM 1359 O SER A 168 -5.755 19.271 45.743 1.00 0.00 ATOM 1360 C SER A 168 -5.467 18.847 46.865 1.00 0.00 ATOM 1361 N ARG A 169 -5.429 17.555 47.212 1.00 0.00 ATOM 1362 CA ARG A 169 -5.906 16.450 46.368 1.00 0.00 ATOM 1363 CB ARG A 169 -5.905 15.136 47.152 1.00 0.00 ATOM 1364 CG ARG A 169 -6.971 15.051 48.284 1.00 0.00 ATOM 1365 CD ARG A 169 -6.921 13.747 49.060 1.00 0.00 ATOM 1366 NE ARG A 169 -7.390 12.618 48.281 1.00 0.00 ATOM 1367 CZ ARG A 169 -7.430 11.351 48.708 1.00 0.00 ATOM 1368 NH1 ARG A 169 -6.975 11.010 49.918 1.00 0.00 ATOM 1369 NH2 ARG A 169 -7.910 10.405 47.902 1.00 0.00 ATOM 1370 O ARG A 169 -7.582 16.110 44.731 1.00 0.00 ATOM 1371 C ARG A 169 -7.295 16.656 45.786 1.00 0.00 ATOM 1372 N THR A 170 -8.149 17.444 46.446 1.00 0.00 ATOM 1373 CA THR A 170 -9.519 17.669 45.944 1.00 0.00 ATOM 1374 CB THR A 170 -10.553 17.761 47.096 1.00 0.00 ATOM 1375 CG2 THR A 170 -10.858 16.368 47.690 1.00 0.00 ATOM 1376 OG1 THR A 170 -10.031 18.610 48.111 1.00 0.00 ATOM 1377 O THR A 170 -10.689 19.110 44.471 1.00 0.00 ATOM 1378 C THR A 170 -9.659 18.919 45.085 1.00 0.00 ATOM 1379 N PHE A 171 -8.621 19.753 45.010 1.00 0.00 ATOM 1380 CA PHE A 171 -8.693 20.981 44.249 1.00 0.00 ATOM 1381 CB PHE A 171 -7.725 22.026 44.820 1.00 0.00 ATOM 1382 CG PHE A 171 -8.013 23.432 44.339 1.00 0.00 ATOM 1383 CD1 PHE A 171 -8.811 24.297 45.088 1.00 0.00 ATOM 1384 CD2 PHE A 171 -7.511 23.876 43.122 1.00 0.00 ATOM 1385 CE1 PHE A 171 -9.053 25.588 44.635 1.00 0.00 ATOM 1386 CE2 PHE A 171 -7.755 25.153 42.666 1.00 0.00 ATOM 1387 CZ PHE A 171 -8.520 26.010 43.401 1.00 0.00 ATOM 1388 O PHE A 171 -7.201 20.268 42.506 1.00 0.00 ATOM 1389 C PHE A 171 -8.344 20.666 42.784 1.00 0.00 ATOM 1390 N PRO A 172 -9.306 20.850 41.838 1.00 0.00 ATOM 1391 CA PRO A 172 -9.019 20.577 40.439 1.00 0.00 ATOM 1392 CB PRO A 172 -10.319 20.927 39.755 1.00 0.00 ATOM 1393 CG PRO A 172 -11.353 20.645 40.804 1.00 0.00 ATOM 1394 CD PRO A 172 -10.717 21.252 42.003 1.00 0.00 ATOM 1395 O PRO A 172 -7.784 22.604 40.098 1.00 0.00 ATOM 1396 C PRO A 172 -7.869 21.392 39.859 1.00 0.00 ATOM 1397 N THR A 173 -6.986 20.703 39.132 1.00 0.00 ATOM 1398 CA THR A 173 -5.865 21.316 38.452 1.00 0.00 ATOM 1399 CB THR A 173 -5.135 20.267 37.599 1.00 0.00 ATOM 1400 CG2 THR A 173 -4.047 20.866 36.765 1.00 0.00 ATOM 1401 OG1 THR A 173 -4.562 19.289 38.476 1.00 0.00 ATOM 1402 O THR A 173 -5.749 23.569 37.703 1.00 0.00 ATOM 1403 C THR A 173 -6.303 22.494 37.600 1.00 0.00 ATOM 1404 N ILE A 174 -7.341 22.303 36.785 1.00 0.00 ATOM 1405 CA ILE A 174 -7.758 23.375 35.905 1.00 0.00 ATOM 1406 CB ILE A 174 -8.812 22.890 34.903 1.00 0.00 ATOM 1407 CG1 ILE A 174 -8.660 23.676 33.590 1.00 0.00 ATOM 1408 CG2 ILE A 174 -10.186 22.889 35.568 1.00 0.00 ATOM 1409 CD1 ILE A 174 -7.341 23.334 32.863 1.00 0.00 ATOM 1410 O ILE A 174 -8.171 25.712 36.159 1.00 0.00 ATOM 1411 C ILE A 174 -8.260 24.614 36.671 1.00 0.00 ATOM 1412 N ASN A 175 -8.717 24.447 37.913 1.00 0.00 ATOM 1413 CA ASN A 175 -9.144 25.591 38.719 1.00 0.00 ATOM 1414 CB ASN A 175 -10.013 25.126 39.887 1.00 0.00 ATOM 1415 CG ASN A 175 -11.364 24.649 39.458 1.00 0.00 ATOM 1416 ND2 ASN A 175 -12.217 24.387 40.441 1.00 0.00 ATOM 1417 OD1 ASN A 175 -11.659 24.530 38.265 1.00 0.00 ATOM 1418 O ASN A 175 -8.241 27.437 39.947 1.00 0.00 ATOM 1419 C ASN A 175 -7.991 26.453 39.271 1.00 0.00 ATOM 1420 N ILE A 176 -6.744 26.079 38.988 1.00 0.00 ATOM 1421 CA ILE A 176 -5.579 26.867 39.382 1.00 0.00 ATOM 1422 CB ILE A 176 -4.306 25.963 39.559 1.00 0.00 ATOM 1423 CG1 ILE A 176 -4.560 24.918 40.659 1.00 0.00 ATOM 1424 CG2 ILE A 176 -3.086 26.823 39.888 1.00 0.00 ATOM 1425 CD1 ILE A 176 -3.534 23.806 40.767 1.00 0.00 ATOM 1426 O ILE A 176 -4.612 28.965 38.689 1.00 0.00 ATOM 1427 C ILE A 176 -5.343 28.007 38.392 1.00 0.00 ATOM 1428 N GLU A 177 -5.983 27.926 37.223 1.00 0.00 ATOM 1429 CA GLU A 177 -5.760 28.902 36.191 1.00 0.00 ATOM 1430 CB GLU A 177 -6.597 28.591 34.954 1.00 0.00 ATOM 1431 CG GLU A 177 -6.176 29.440 33.762 1.00 0.00 ATOM 1432 CD GLU A 177 -7.056 29.244 32.570 1.00 0.00 ATOM 1433 OE1 GLU A 177 -8.010 28.445 32.655 1.00 0.00 ATOM 1434 OE2 GLU A 177 -6.782 29.874 31.538 1.00 0.00 ATOM 1435 O GLU A 177 -5.106 31.196 36.245 1.00 0.00 ATOM 1436 C GLU A 177 -5.935 30.378 36.594 1.00 0.00 ATOM 1437 N PRO A 178 -7.036 30.741 37.279 1.00 0.00 ATOM 1438 CA PRO A 178 -7.132 32.150 37.696 1.00 0.00 ATOM 1439 CB PRO A 178 -8.371 32.157 38.583 1.00 0.00 ATOM 1440 CG PRO A 178 -9.203 31.076 37.978 1.00 0.00 ATOM 1441 CD PRO A 178 -8.223 29.981 37.680 1.00 0.00 ATOM 1442 O PRO A 178 -5.495 33.796 38.275 1.00 0.00 ATOM 1443 C PRO A 178 -5.906 32.658 38.461 1.00 0.00 ATOM 1444 N ASP A 179 -5.334 31.819 39.320 1.00 0.00 ATOM 1445 CA ASP A 179 -4.124 32.206 40.071 1.00 0.00 ATOM 1446 CB ASP A 179 -3.834 31.266 41.245 1.00 0.00 ATOM 1447 CG ASP A 179 -4.877 31.369 42.370 1.00 0.00 ATOM 1448 OD1 ASP A 179 -5.552 32.411 42.485 1.00 0.00 ATOM 1449 OD2 ASP A 179 -5.001 30.387 43.135 1.00 0.00 ATOM 1450 O ASP A 179 -2.057 33.162 39.377 1.00 0.00 ATOM 1451 C ASP A 179 -2.899 32.282 39.186 1.00 0.00 ATOM 1452 N ILE A 180 -2.808 31.390 38.214 1.00 0.00 ATOM 1453 CA ILE A 180 -1.741 31.507 37.189 1.00 0.00 ATOM 1454 CB ILE A 180 -1.727 30.313 36.221 1.00 0.00 ATOM 1455 CG1 ILE A 180 -1.316 29.035 36.975 1.00 0.00 ATOM 1456 CG2 ILE A 180 -0.830 30.554 34.971 1.00 0.00 ATOM 1457 CD1 ILE A 180 -1.651 27.789 36.149 1.00 0.00 ATOM 1458 O ILE A 180 -0.862 33.570 36.385 1.00 0.00 ATOM 1459 C ILE A 180 -1.845 32.853 36.462 1.00 0.00 ATOM 1460 N LYS A 181 -3.034 33.213 35.987 1.00 0.00 ATOM 1461 CA LYS A 181 -3.242 34.492 35.294 1.00 0.00 ATOM 1462 CB LYS A 181 -4.710 34.637 34.882 1.00 0.00 ATOM 1463 CG LYS A 181 -5.189 33.568 33.908 1.00 0.00 ATOM 1464 CD LYS A 181 -6.365 34.053 33.001 1.00 0.00 ATOM 1465 CE LYS A 181 -6.790 32.944 31.999 1.00 0.00 ATOM 1466 NZ LYS A 181 -8.009 33.223 31.144 1.00 0.00 ATOM 1467 O LYS A 181 -2.142 36.618 35.734 1.00 0.00 ATOM 1468 C LYS A 181 -2.830 35.682 36.175 1.00 0.00 ATOM 1469 N ARG A 182 -3.268 35.640 37.428 1.00 0.00 ATOM 1470 CA ARG A 182 -2.961 36.685 38.390 1.00 0.00 ATOM 1471 CB ARG A 182 -3.603 36.353 39.738 1.00 0.00 ATOM 1472 CG ARG A 182 -2.916 37.013 40.922 1.00 0.00 ATOM 1473 CD ARG A 182 -3.512 36.599 42.248 1.00 0.00 ATOM 1474 NE ARG A 182 -2.752 37.180 43.357 1.00 0.00 ATOM 1475 CZ ARG A 182 -3.087 37.056 44.641 1.00 0.00 ATOM 1476 NH1 ARG A 182 -2.336 37.636 45.574 1.00 0.00 ATOM 1477 NH2 ARG A 182 -4.167 36.351 45.003 1.00 0.00 ATOM 1478 O ARG A 182 -0.932 37.962 38.505 1.00 0.00 ATOM 1479 C ARG A 182 -1.448 36.841 38.539 1.00 0.00 ATOM 1480 N LEU A 183 -0.739 35.719 38.705 1.00 0.00 ATOM 1481 CA LEU A 183 0.706 35.749 38.893 1.00 0.00 ATOM 1482 CB LEU A 183 1.230 34.359 39.337 1.00 0.00 ATOM 1483 CG LEU A 183 0.851 33.882 40.745 1.00 0.00 ATOM 1484 CD1 LEU A 183 1.411 32.486 41.052 1.00 0.00 ATOM 1485 CD2 LEU A 183 1.291 34.920 41.793 1.00 0.00 ATOM 1486 O LEU A 183 2.518 36.856 37.737 1.00 0.00 ATOM 1487 C LEU A 183 1.452 36.249 37.629 1.00 0.00 ATOM 1488 N LEU A 184 0.870 35.998 36.449 1.00 0.00 ATOM 1489 CA LEU A 184 1.409 36.442 35.162 1.00 0.00 ATOM 1490 CB LEU A 184 1.038 35.444 34.039 1.00 0.00 ATOM 1491 CG LEU A 184 1.596 34.027 34.171 1.00 0.00 ATOM 1492 CD1 LEU A 184 1.077 33.169 33.027 1.00 0.00 ATOM 1493 CD2 LEU A 184 3.125 34.078 34.253 1.00 0.00 ATOM 1494 O LEU A 184 1.518 38.309 33.680 1.00 0.00 ATOM 1495 C LEU A 184 1.037 37.873 34.721 1.00 0.00 ATOM 1496 N LYS A 185 0.235 38.608 35.492 1.00 0.00 ATOM 1497 CA LYS A 185 -0.117 40.015 35.146 1.00 0.00 ATOM 1498 CB LYS A 185 -1.158 40.595 36.119 1.00 0.00 ATOM 1499 CG LYS A 185 -2.616 40.286 35.771 1.00 0.00 ATOM 1500 CD LYS A 185 -3.586 40.939 36.781 1.00 0.00 ATOM 1501 CE LYS A 185 -3.709 42.461 36.586 1.00 0.00 ATOM 1502 NZ LYS A 185 -4.614 42.799 35.445 1.00 0.00 ATOM 1503 O LYS A 185 1.841 40.962 36.132 1.00 0.00 ATOM 1504 C LYS A 185 1.089 40.951 35.153 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1038821523.pdb -s /var/tmp/to_scwrl_1038821523.seq -o /var/tmp/from_scwrl_1038821523.pdb > /var/tmp/scwrl_1038821523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038821523.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 159 # 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 = -93.514 # GDT_score(maxd=8.000,maxw=2.900)= -96.523 # GDT_score(maxd=8.000,maxw=3.200)= -94.812 # GDT_score(maxd=8.000,maxw=3.500)= -92.527 # GDT_score(maxd=10.000,maxw=3.800)= -93.335 # GDT_score(maxd=10.000,maxw=4.000)= -91.595 # GDT_score(maxd=10.000,maxw=4.200)= -89.643 # GDT_score(maxd=12.000,maxw=4.300)= -91.784 # GDT_score(maxd=12.000,maxw=4.500)= -89.893 # GDT_score(maxd=12.000,maxw=4.700)= -87.853 # GDT_score(maxd=14.000,maxw=5.200)= -85.527 # GDT_score(maxd=14.000,maxw=5.500)= -82.321 # command:# request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_819778196.pdb -s /var/tmp/to_scwrl_819778196.seq -o /var/tmp/from_scwrl_819778196.pdb > /var/tmp/scwrl_819778196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_819778196.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 153 # 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 = -93.649 # GDT_score(maxd=8.000,maxw=2.900)= -96.422 # GDT_score(maxd=8.000,maxw=3.200)= -94.793 # GDT_score(maxd=8.000,maxw=3.500)= -92.633 # GDT_score(maxd=10.000,maxw=3.800)= -93.417 # GDT_score(maxd=10.000,maxw=4.000)= -91.861 # GDT_score(maxd=10.000,maxw=4.200)= -90.204 # GDT_score(maxd=12.000,maxw=4.300)= -92.077 # GDT_score(maxd=12.000,maxw=4.500)= -90.468 # GDT_score(maxd=12.000,maxw=4.700)= -88.625 # GDT_score(maxd=14.000,maxw=5.200)= -86.541 # GDT_score(maxd=14.000,maxw=5.500)= -83.601 # command:# request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_19333015.pdb -s /var/tmp/to_scwrl_19333015.seq -o /var/tmp/from_scwrl_19333015.pdb > /var/tmp/scwrl_19333015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_19333015.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 153 # 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 = -94.054 # GDT_score(maxd=8.000,maxw=2.900)= -96.418 # GDT_score(maxd=8.000,maxw=3.200)= -94.996 # GDT_score(maxd=8.000,maxw=3.500)= -93.224 # GDT_score(maxd=10.000,maxw=3.800)= -93.924 # GDT_score(maxd=10.000,maxw=4.000)= -92.686 # GDT_score(maxd=10.000,maxw=4.200)= -91.270 # GDT_score(maxd=12.000,maxw=4.300)= -92.902 # GDT_score(maxd=12.000,maxw=4.500)= -91.513 # GDT_score(maxd=12.000,maxw=4.700)= -89.905 # GDT_score(maxd=14.000,maxw=5.200)= -87.996 # GDT_score(maxd=14.000,maxw=5.500)= -85.263 # command:# request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1623279987.pdb -s /var/tmp/to_scwrl_1623279987.seq -o /var/tmp/from_scwrl_1623279987.pdb > /var/tmp/scwrl_1623279987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1623279987.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:# ReadConformPDB reading from PDB file model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # command:Warning: Couldn't open file decoys/model5.gdt for output # fraction of real conformation used = 0.919 # GDT_score = -88.919 # GDT_score(maxd=8.000,maxw=2.900)= -90.079 # GDT_score(maxd=8.000,maxw=3.200)= -89.251 # GDT_score(maxd=8.000,maxw=3.500)= -88.314 # GDT_score(maxd=10.000,maxw=3.800)= -88.684 # GDT_score(maxd=10.000,maxw=4.000)= -87.997 # GDT_score(maxd=10.000,maxw=4.200)= -87.185 # GDT_score(maxd=12.000,maxw=4.300)= -88.106 # GDT_score(maxd=12.000,maxw=4.500)= -87.301 # GDT_score(maxd=12.000,maxw=4.700)= -86.275 # GDT_score(maxd=14.000,maxw=5.200)= -84.963 # GDT_score(maxd=14.000,maxw=5.500)= -83.070 # command:# request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1611956929.pdb -s /var/tmp/to_scwrl_1611956929.seq -o /var/tmp/from_scwrl_1611956929.pdb > /var/tmp/scwrl_1611956929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1611956929.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 T0345.try1-opt2.pdb looking for model 1 # Found a chain break before 153 # 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 = -94.054 # GDT_score(maxd=8.000,maxw=2.900)= -96.407 # GDT_score(maxd=8.000,maxw=3.200)= -94.995 # GDT_score(maxd=8.000,maxw=3.500)= -93.227 # GDT_score(maxd=10.000,maxw=3.800)= -93.927 # GDT_score(maxd=10.000,maxw=4.000)= -92.684 # GDT_score(maxd=10.000,maxw=4.200)= -91.259 # GDT_score(maxd=12.000,maxw=4.300)= -92.897 # GDT_score(maxd=12.000,maxw=4.500)= -91.510 # GDT_score(maxd=12.000,maxw=4.700)= -89.906 # GDT_score(maxd=14.000,maxw=5.200)= -88.001 # GDT_score(maxd=14.000,maxw=5.500)= -85.271 # command:# Prefix for output files set to # command:Warning: Couldn't open file T0345.try1-real.pdb for output Error: Couldn't open file T0345.try1-real.pdb for output superimposing iter= 0 total_weight= 2244.000 rmsd (weighted)= 1.807 (unweighted)= 4.317 superimposing iter= 1 total_weight= 8734.376 rmsd (weighted)= 0.645 (unweighted)= 4.316 superimposing iter= 2 total_weight= 3294.692 rmsd (weighted)= 0.425 (unweighted)= 4.316 superimposing iter= 3 total_weight= 1993.590 rmsd (weighted)= 0.365 (unweighted)= 4.316 superimposing iter= 4 total_weight= 1675.436 rmsd (weighted)= 0.343 (unweighted)= 4.316 superimposing iter= 5 total_weight= 1573.080 rmsd (weighted)= 0.332 (unweighted)= 4.317 EXPDTA T0345.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0345.try1-opt2.pdb ATOM 1 N MET A 1 16.646 27.597 56.411 1.00 0.00 ATOM 2 CA MET A 1 15.501 28.549 56.432 1.00 0.00 ATOM 3 CB MET A 1 15.759 29.717 55.477 1.00 0.00 ATOM 4 CG MET A 1 16.879 30.645 55.919 1.00 0.00 ATOM 5 SD MET A 1 17.194 31.967 54.736 1.00 0.00 ATOM 6 CE MET A 1 15.802 33.047 55.054 1.00 0.00 ATOM 7 O MET A 1 14.348 26.830 55.276 1.00 0.00 ATOM 8 C MET A 1 14.252 27.816 56.000 1.00 0.00 ATOM 9 N ILE A 2 13.100 28.255 56.493 1.00 0.00 ATOM 10 CA ILE A 2 11.831 27.624 56.137 1.00 0.00 ATOM 11 CB ILE A 2 10.642 28.318 56.830 1.00 0.00 ATOM 12 CG1 ILE A 2 10.698 28.087 58.342 1.00 0.00 ATOM 13 CG2 ILE A 2 9.326 27.768 56.306 1.00 0.00 ATOM 14 CD1 ILE A 2 9.732 28.948 59.126 1.00 0.00 ATOM 15 O ILE A 2 11.308 26.738 53.963 1.00 0.00 ATOM 16 C ILE A 2 11.647 27.719 54.635 1.00 0.00 ATOM 17 N ALA A 3 11.844 28.918 54.089 1.00 0.00 ATOM 18 CA ALA A 3 11.620 29.132 52.668 1.00 0.00 ATOM 19 CB ALA A 3 11.154 30.558 52.414 1.00 0.00 ATOM 20 O ALA A 3 13.934 29.547 52.183 1.00 0.00 ATOM 21 C ALA A 3 12.925 28.891 51.912 1.00 0.00 ATOM 22 N LYS A 4 12.900 27.989 50.948 1.00 0.00 ATOM 23 CA LYS A 4 14.024 27.765 50.048 1.00 0.00 ATOM 24 CB LYS A 4 14.411 26.318 49.982 1.00 0.00 ATOM 25 CG LYS A 4 14.836 25.725 51.316 1.00 0.00 ATOM 26 CD LYS A 4 15.897 26.564 51.996 1.00 0.00 ATOM 27 CE LYS A 4 16.362 25.892 53.277 1.00 0.00 ATOM 28 NZ LYS A 4 17.111 26.839 54.136 1.00 0.00 ATOM 29 O LYS A 4 12.217 28.148 48.529 1.00 0.00 ATOM 30 C LYS A 4 13.437 28.143 48.690 1.00 0.00 ATOM 31 N SER A 5 14.283 28.457 47.717 1.00 0.00 ATOM 32 CA SER A 5 13.804 28.860 46.395 1.00 0.00 ATOM 33 CB SER A 5 14.707 30.005 45.842 1.00 0.00 ATOM 34 OG SER A 5 14.793 31.119 46.710 1.00 0.00 ATOM 35 O SER A 5 14.394 26.745 45.423 1.00 0.00 ATOM 36 C SER A 5 13.629 27.709 45.407 1.00 0.00 ATOM 37 N PHE A 6 12.615 27.818 44.549 1.00 0.00 ATOM 38 CA PHE A 6 12.354 26.797 43.534 1.00 0.00 ATOM 39 CB PHE A 6 11.139 27.186 42.663 1.00 0.00 ATOM 40 CG PHE A 6 10.956 26.291 41.491 1.00 0.00 ATOM 41 CD1 PHE A 6 10.473 24.997 41.676 1.00 0.00 ATOM 42 CD2 PHE A 6 11.245 26.746 40.197 1.00 0.00 ATOM 43 CE1 PHE A 6 10.268 24.152 40.570 1.00 0.00 ATOM 44 CE2 PHE A 6 11.037 25.907 39.100 1.00 0.00 ATOM 45 CZ PHE A 6 10.551 24.621 39.283 1.00 0.00 ATOM 46 O PHE A 6 13.965 25.478 42.314 1.00 0.00 ATOM 47 C PHE A 6 13.609 26.600 42.681 1.00 0.00 ATOM 48 N TYR A 7 14.444 27.768 42.113 1.00 0.00 ATOM 49 CA TYR A 7 15.614 27.637 41.249 1.00 0.00 ATOM 50 CB TYR A 7 16.060 29.009 40.739 1.00 0.00 ATOM 51 CG TYR A 7 16.588 29.923 41.822 1.00 0.00 ATOM 52 CD1 TYR A 7 17.912 29.849 42.232 1.00 0.00 ATOM 53 CD2 TYR A 7 15.759 30.857 42.429 1.00 0.00 ATOM 54 CE1 TYR A 7 18.403 30.680 43.222 1.00 0.00 ATOM 55 CE2 TYR A 7 16.233 31.697 43.420 1.00 0.00 ATOM 56 CZ TYR A 7 17.566 31.601 43.813 1.00 0.00 ATOM 57 OH TYR A 7 18.053 32.429 44.799 1.00 0.00 ATOM 58 O TYR A 7 17.700 26.503 41.300 1.00 0.00 ATOM 59 C TYR A 7 16.776 26.970 41.965 1.00 0.00 ATOM 60 N ASP A 8 16.719 26.899 43.293 1.00 0.00 ATOM 61 CA ASP A 8 17.786 26.201 44.023 1.00 0.00 ATOM 62 CB ASP A 8 17.558 26.379 45.525 1.00 0.00 ATOM 63 CG ASP A 8 17.855 27.790 45.996 1.00 0.00 ATOM 64 OD1 ASP A 8 18.469 28.557 45.225 1.00 0.00 ATOM 65 OD2 ASP A 8 17.473 28.128 47.137 1.00 0.00 ATOM 66 O ASP A 8 18.815 24.069 44.103 1.00 0.00 ATOM 67 C ASP A 8 17.824 24.716 43.741 1.00 0.00 ATOM 68 N LEU A 9 16.779 24.182 43.111 1.00 0.00 ATOM 69 CA LEU A 9 16.566 22.732 43.042 1.00 0.00 ATOM 70 CB LEU A 9 15.138 22.472 43.493 1.00 0.00 ATOM 71 CG LEU A 9 14.819 22.911 44.926 1.00 0.00 ATOM 72 CD1 LEU A 9 13.335 22.771 45.200 1.00 0.00 ATOM 73 CD2 LEU A 9 15.640 22.077 45.908 1.00 0.00 ATOM 74 O LEU A 9 16.560 22.894 40.652 1.00 0.00 ATOM 75 C LEU A 9 16.692 22.167 41.637 1.00 0.00 ATOM 76 N SER A 10 16.981 20.866 41.584 1.00 0.00 ATOM 77 CA SER A 10 17.134 20.145 40.323 1.00 0.00 ATOM 78 CB SER A 10 18.612 19.952 39.979 1.00 0.00 ATOM 79 OG SER A 10 19.254 19.125 40.932 1.00 0.00 ATOM 80 O SER A 10 16.268 18.277 41.534 1.00 0.00 ATOM 81 C SER A 10 16.477 18.780 40.434 1.00 0.00 ATOM 82 N ALA A 11 16.175 18.184 39.290 1.00 0.00 ATOM 83 CA ALA A 11 15.586 16.853 39.263 1.00 0.00 ATOM 84 CB ALA A 11 14.071 16.941 39.358 1.00 0.00 ATOM 85 O ALA A 11 16.629 16.654 37.108 1.00 0.00 ATOM 86 C ALA A 11 16.119 16.065 38.069 1.00 0.00 ATOM 87 N ILE A 12 15.902 14.704 37.700 1.00 0.00 ATOM 88 CA ILE A 12 16.323 13.971 36.471 1.00 0.00 ATOM 89 CB ILE A 12 17.081 12.676 36.876 1.00 0.00 ATOM 90 CG1 ILE A 12 18.260 12.979 37.797 1.00 0.00 ATOM 91 CG2 ILE A 12 17.472 11.859 35.638 1.00 0.00 ATOM 92 CD1 ILE A 12 18.913 11.746 38.355 1.00 0.00 ATOM 93 O ILE A 12 14.072 13.321 36.171 1.00 0.00 ATOM 94 C ILE A 12 15.084 13.716 35.630 1.00 0.00 ATOM 95 N ASN A 13 15.151 13.936 34.314 1.00 0.00 ATOM 96 CA ASN A 13 14.053 13.607 33.426 1.00 0.00 ATOM 97 CB ASN A 13 13.935 14.646 32.253 1.00 0.00 ATOM 98 CG ASN A 13 15.090 14.594 31.261 1.00 0.00 ATOM 99 ND2 ASN A 13 15.271 15.698 30.540 1.00 0.00 ATOM 100 OD1 ASN A 13 15.779 13.591 31.107 1.00 0.00 ATOM 101 O ASN A 13 14.891 11.346 33.348 1.00 0.00 ATOM 102 C ASN A 13 14.040 12.161 32.948 1.00 0.00 ATOM 103 N LEU A 14 13.158 11.821 32.033 1.00 0.00 ATOM 104 CA LEU A 14 13.023 10.479 31.495 1.00 0.00 ATOM 105 CB LEU A 14 11.842 10.538 30.436 1.00 0.00 ATOM 106 CG LEU A 14 10.446 10.725 31.042 1.00 0.00 ATOM 107 CD1 LEU A 14 9.414 10.923 29.937 1.00 0.00 ATOM 108 CD2 LEU A 14 10.095 9.514 31.893 1.00 0.00 ATOM 109 O LEU A 14 14.534 8.792 30.749 1.00 0.00 ATOM 110 C LEU A 14 14.304 9.991 30.832 1.00 0.00 ATOM 111 N ASP A 15 15.134 10.915 30.361 1.00 0.00 ATOM 112 CA ASP A 15 16.388 10.545 29.708 1.00 0.00 ATOM 113 CB ASP A 15 16.692 11.542 28.590 1.00 0.00 ATOM 114 CG ASP A 15 15.647 11.518 27.487 1.00 0.00 ATOM 115 OD1 ASP A 15 15.485 12.545 26.791 1.00 0.00 ATOM 116 OD2 ASP A 15 14.992 10.469 27.311 1.00 0.00 ATOM 117 O ASP A 15 18.673 10.217 30.339 1.00 0.00 ATOM 118 C ASP A 15 17.527 10.467 30.714 1.00 0.00 ATOM 119 N GLY A 16 17.239 10.685 31.993 1.00 0.00 ATOM 120 CA GLY A 16 18.284 10.638 33.036 1.00 0.00 ATOM 121 O GLY A 16 20.200 11.913 33.698 1.00 0.00 ATOM 122 C GLY A 16 19.147 11.900 33.064 1.00 0.00 ATOM 123 N GLU A 17 18.695 12.953 32.377 1.00 0.00 ATOM 124 CA GLU A 17 19.452 14.202 32.370 1.00 0.00 ATOM 125 CB GLU A 17 19.686 14.712 30.992 1.00 0.00 ATOM 126 CG GLU A 17 20.372 13.718 30.062 1.00 0.00 ATOM 127 CD GLU A 17 20.518 14.221 28.633 1.00 0.00 ATOM 128 OE1 GLU A 17 19.881 15.233 28.270 1.00 0.00 ATOM 129 OE2 GLU A 17 21.265 13.581 27.864 1.00 0.00 ATOM 130 O GLU A 17 17.771 15.285 33.694 1.00 0.00 ATOM 131 C GLU A 17 18.969 15.203 33.413 1.00 0.00 ATOM 132 N LYS A 18 19.907 15.963 33.979 1.00 0.00 ATOM 133 CA LYS A 18 19.583 16.959 34.997 1.00 0.00 ATOM 134 CB LYS A 18 20.819 17.493 35.679 1.00 0.00 ATOM 135 CG LYS A 18 21.651 16.453 36.435 1.00 0.00 ATOM 136 CD LYS A 18 22.849 17.106 37.117 1.00 0.00 ATOM 137 CE LYS A 18 23.971 16.106 37.405 1.00 0.00 ATOM 138 NZ LYS A 18 24.878 15.906 36.222 1.00 0.00 ATOM 139 O LYS A 18 18.942 18.592 33.361 1.00 0.00 ATOM 140 C LYS A 18 18.691 18.057 34.445 1.00 0.00 ATOM 141 N VAL A 19 17.661 18.403 35.208 1.00 0.00 ATOM 142 CA VAL A 19 16.748 19.463 34.820 1.00 0.00 ATOM 143 CB VAL A 19 15.280 18.983 34.797 1.00 0.00 ATOM 144 CG1 VAL A 19 14.358 20.152 34.597 1.00 0.00 ATOM 145 CG2 VAL A 19 15.089 17.925 33.726 1.00 0.00 ATOM 146 O VAL A 19 16.852 20.235 37.090 1.00 0.00 ATOM 147 C VAL A 19 16.869 20.547 35.894 1.00 0.00 ATOM 148 N ASP A 20 18.236 21.757 36.221 1.00 0.00 ATOM 149 CA ASP A 20 18.041 22.678 37.320 1.00 0.00 ATOM 150 CB ASP A 20 19.250 23.606 37.460 1.00 0.00 ATOM 151 CG ASP A 20 20.502 22.869 37.889 1.00 0.00 ATOM 152 OD1 ASP A 20 20.428 22.082 38.855 1.00 0.00 ATOM 153 OD2 ASP A 20 21.560 23.079 37.259 1.00 0.00 ATOM 154 O ASP A 20 16.609 23.983 35.932 1.00 0.00 ATOM 155 C ASP A 20 16.811 23.494 37.045 1.00 0.00 ATOM 156 N PHE A 21 15.987 23.694 38.058 1.00 0.00 ATOM 157 CA PHE A 21 14.788 24.492 37.872 1.00 0.00 ATOM 158 CB PHE A 21 13.705 24.004 38.859 1.00 0.00 ATOM 159 CG PHE A 21 13.125 22.644 38.513 1.00 0.00 ATOM 160 CD1 PHE A 21 12.246 22.531 37.486 1.00 0.00 ATOM 161 CD2 PHE A 21 13.473 21.540 39.264 1.00 0.00 ATOM 162 CE1 PHE A 21 11.698 21.280 37.172 1.00 0.00 ATOM 163 CE2 PHE A 21 12.957 20.270 38.976 1.00 0.00 ATOM 164 CZ PHE A 21 12.083 20.178 37.919 1.00 0.00 ATOM 165 O PHE A 21 14.337 26.790 37.429 1.00 0.00 ATOM 166 C PHE A 21 15.186 25.951 37.719 1.00 0.00 ATOM 167 N ASN A 22 16.552 26.301 37.871 1.00 0.00 ATOM 168 CA ASN A 22 16.996 27.676 37.678 1.00 0.00 ATOM 169 CB ASN A 22 18.468 27.778 38.088 1.00 0.00 ATOM 170 CG ASN A 22 18.970 29.209 38.106 1.00 0.00 ATOM 171 ND2 ASN A 22 19.943 29.503 37.253 1.00 0.00 ATOM 172 OD1 ASN A 22 18.486 30.036 38.878 1.00 0.00 ATOM 173 O ASN A 22 16.914 29.314 35.945 1.00 0.00 ATOM 174 C ASN A 22 16.913 28.120 36.240 1.00 0.00 ATOM 175 N THR A 23 16.835 27.155 35.335 1.00 0.00 ATOM 176 CA THR A 23 16.654 27.462 33.920 1.00 0.00 ATOM 177 CB THR A 23 16.850 26.212 33.043 1.00 0.00 ATOM 178 CG2 THR A 23 18.250 25.647 33.226 1.00 0.00 ATOM 179 OG1 THR A 23 15.894 25.211 33.411 1.00 0.00 ATOM 180 O THR A 23 14.988 28.481 32.495 1.00 0.00 ATOM 181 C THR A 23 15.239 28.018 33.605 1.00 0.00 ATOM 182 N PHE A 24 14.337 27.968 34.578 1.00 0.00 ATOM 183 CA PHE A 24 12.938 28.377 34.385 1.00 0.00 ATOM 184 CB PHE A 24 11.994 27.402 35.092 1.00 0.00 ATOM 185 CG PHE A 24 12.015 26.015 34.520 1.00 0.00 ATOM 186 CD1 PHE A 24 12.767 25.016 35.115 1.00 0.00 ATOM 187 CD2 PHE A 24 11.284 25.707 33.386 1.00 0.00 ATOM 188 CE1 PHE A 24 12.786 23.738 34.587 1.00 0.00 ATOM 189 CE2 PHE A 24 11.303 24.429 32.858 1.00 0.00 ATOM 190 CZ PHE A 24 12.050 23.447 33.455 1.00 0.00 ATOM 191 O PHE A 24 11.466 30.094 35.187 1.00 0.00 ATOM 192 C PHE A 24 12.622 29.747 34.964 1.00 0.00 ATOM 193 N ARG A 25 13.661 30.577 35.196 1.00 0.00 ATOM 194 CA ARG A 25 13.424 31.911 35.724 1.00 0.00 ATOM 195 CB ARG A 25 14.739 32.674 35.892 1.00 0.00 ATOM 196 CG ARG A 25 14.579 34.059 36.498 1.00 0.00 ATOM 197 CD ARG A 25 15.923 34.756 36.640 1.00 0.00 ATOM 198 NE ARG A 25 15.782 36.112 37.165 1.00 0.00 ATOM 199 CZ ARG A 25 16.802 36.929 37.406 1.00 0.00 ATOM 200 NH1 ARG A 25 16.578 38.146 37.883 1.00 0.00 ATOM 201 NH2 ARG A 25 18.043 36.529 37.172 1.00 0.00 ATOM 202 O ARG A 25 12.709 32.568 33.534 1.00 0.00 ATOM 203 C ARG A 25 12.528 32.662 34.743 1.00 0.00 ATOM 204 N GLY A 26 11.540 33.389 35.272 1.00 0.00 ATOM 205 CA GLY A 26 10.627 34.140 34.429 1.00 0.00 ATOM 206 O GLY A 26 8.348 34.018 33.748 1.00 0.00 ATOM 207 C GLY A 26 9.329 33.413 34.176 1.00 0.00 ATOM 208 N ARG A 27 9.341 32.114 34.406 1.00 0.00 ATOM 209 CA ARG A 27 8.166 31.279 34.155 1.00 0.00 ATOM 210 CB ARG A 27 8.586 29.901 33.635 1.00 0.00 ATOM 211 CG ARG A 27 9.273 29.933 32.280 1.00 0.00 ATOM 212 CD ARG A 27 8.279 30.208 31.163 1.00 0.00 ATOM 213 NE ARG A 27 8.925 30.245 29.853 1.00 0.00 ATOM 214 CZ ARG A 27 8.279 30.430 28.706 1.00 0.00 ATOM 215 NH1 ARG A 27 8.950 30.448 27.563 1.00 0.00 ATOM 216 NH2 ARG A 27 6.963 30.593 28.706 1.00 0.00 ATOM 217 O ARG A 27 7.907 31.020 36.527 1.00 0.00 ATOM 218 C ARG A 27 7.359 31.077 35.428 1.00 0.00 ATOM 219 N ALA A 28 6.044 30.938 35.278 1.00 0.00 ATOM 220 CA ALA A 28 5.192 30.507 36.375 1.00 0.00 ATOM 221 CB ALA A 28 3.786 31.061 36.205 1.00 0.00 ATOM 222 O ALA A 28 5.063 28.403 35.238 1.00 0.00 ATOM 223 C ALA A 28 5.197 28.981 36.324 1.00 0.00 ATOM 224 N VAL A 29 5.361 28.335 37.479 1.00 0.00 ATOM 225 CA VAL A 29 5.454 26.881 37.516 1.00 0.00 ATOM 226 CB VAL A 29 6.725 26.405 38.242 1.00 0.00 ATOM 227 CG1 VAL A 29 6.755 24.886 38.325 1.00 0.00 ATOM 228 CG2 VAL A 29 7.968 26.870 37.500 1.00 0.00 ATOM 229 O VAL A 29 3.984 26.637 39.396 1.00 0.00 ATOM 230 C VAL A 29 4.319 26.221 38.290 1.00 0.00 ATOM 231 N LEU A 30 3.725 25.223 37.683 1.00 0.00 ATOM 232 CA LEU A 30 2.697 24.447 38.366 1.00 0.00 ATOM 233 CB LEU A 30 1.417 24.351 37.534 1.00 0.00 ATOM 234 CG LEU A 30 0.715 25.672 37.216 1.00 0.00 ATOM 235 CD1 LEU A 30 -0.457 25.445 36.273 1.00 0.00 ATOM 236 CD2 LEU A 30 0.186 26.319 38.485 1.00 0.00 ATOM 237 O LEU A 30 3.591 22.373 37.550 1.00 0.00 ATOM 238 C LEU A 30 3.336 23.079 38.539 1.00 0.00 ATOM 239 N ILE A 31 3.604 22.718 39.791 1.00 0.00 ATOM 240 CA ILE A 31 4.272 21.468 40.124 1.00 0.00 ATOM 241 CB ILE A 31 5.378 21.688 41.173 1.00 0.00 ATOM 242 CG1 ILE A 31 6.522 22.479 40.525 1.00 0.00 ATOM 243 CG2 ILE A 31 5.898 20.330 41.672 1.00 0.00 ATOM 244 CD1 ILE A 31 7.569 22.970 41.496 1.00 0.00 ATOM 245 O ILE A 31 2.551 20.914 41.702 1.00 0.00 ATOM 246 C ILE A 31 3.252 20.523 40.755 1.00 0.00 ATOM 247 N GLU A 32 3.176 19.287 40.257 1.00 0.00 ATOM 248 CA GLU A 32 2.295 18.285 40.844 1.00 0.00 ATOM 249 CB GLU A 32 1.215 17.907 39.836 1.00 0.00 ATOM 250 CG GLU A 32 0.375 16.699 40.206 1.00 0.00 ATOM 251 CD GLU A 32 -0.669 16.382 39.147 1.00 0.00 ATOM 252 OE1 GLU A 32 -1.552 17.234 38.909 1.00 0.00 ATOM 253 OE2 GLU A 32 -0.605 15.284 38.547 1.00 0.00 ATOM 254 O GLU A 32 4.159 16.809 40.495 1.00 0.00 ATOM 255 C GLU A 32 3.104 17.016 41.099 1.00 0.00 ATOM 256 N ASN A 33 2.603 16.170 41.990 1.00 0.00 ATOM 257 CA ASN A 33 3.298 14.943 42.363 1.00 0.00 ATOM 258 CB ASN A 33 4.006 15.127 43.755 1.00 0.00 ATOM 259 CG ASN A 33 3.153 16.034 44.665 1.00 0.00 ATOM 260 ND2 ASN A 33 2.599 15.460 45.714 1.00 0.00 ATOM 261 OD1 ASN A 33 3.008 17.261 44.411 1.00 0.00 ATOM 262 O ASN A 33 1.498 13.417 42.757 1.00 0.00 ATOM 263 C ASN A 33 2.484 13.683 42.075 1.00 0.00 ATOM 264 N VAL A 34 2.612 12.946 40.888 1.00 0.00 ATOM 265 CA VAL A 34 1.691 12.258 39.994 1.00 0.00 ATOM 266 CB VAL A 34 2.066 12.479 38.517 1.00 0.00 ATOM 267 CG1 VAL A 34 1.992 13.958 38.164 1.00 0.00 ATOM 268 CG2 VAL A 34 3.482 11.992 38.247 1.00 0.00 ATOM 269 O VAL A 34 2.533 10.187 40.915 1.00 0.00 ATOM 270 C VAL A 34 1.674 10.744 40.227 1.00 0.00 ATOM 271 N ALA A 35 0.673 10.081 39.645 1.00 0.00 ATOM 272 CA ALA A 35 0.581 8.620 39.674 1.00 0.00 ATOM 273 CB ALA A 35 -0.114 8.158 40.946 1.00 0.00 ATOM 274 O ALA A 35 -1.052 8.944 38.019 1.00 0.00 ATOM 275 C ALA A 35 -0.208 8.190 38.478 1.00 0.00 ATOM 276 N SER A 36 0.035 6.963 38.017 1.00 0.00 ATOM 277 CA SER A 36 -0.566 6.471 36.776 1.00 0.00 ATOM 278 CB SER A 36 0.385 5.506 36.065 1.00 0.00 ATOM 279 OG SER A 36 0.583 4.329 36.831 1.00 0.00 ATOM 280 O SER A 36 -2.641 5.581 36.022 1.00 0.00 ATOM 281 C SER A 36 -1.888 5.730 36.975 1.00 0.00 ATOM 282 N LEU A 37 -2.143 5.229 38.199 1.00 0.00 ATOM 283 CA LEU A 37 -3.377 4.469 38.462 1.00 0.00 ATOM 284 CB LEU A 37 -3.045 2.996 38.709 1.00 0.00 ATOM 285 CG LEU A 37 -2.426 2.234 37.535 1.00 0.00 ATOM 286 CD1 LEU A 37 -1.933 0.867 37.983 1.00 0.00 ATOM 287 CD2 LEU A 37 -3.447 2.032 36.427 1.00 0.00 ATOM 288 O LEU A 37 -4.501 4.281 40.611 1.00 0.00 ATOM 289 C LEU A 37 -4.102 5.012 39.687 1.00 0.00 ATOM 290 N CYS A 38 -4.302 6.327 39.638 1.00 0.00 ATOM 291 CA CYS A 38 -5.040 7.043 40.660 1.00 0.00 ATOM 292 CB CYS A 38 -4.335 8.337 41.041 1.00 0.00 ATOM 293 SG CYS A 38 -2.842 8.077 42.024 1.00 0.00 ATOM 294 O CYS A 38 -6.684 7.599 38.979 1.00 0.00 ATOM 295 C CYS A 38 -6.410 7.491 40.172 1.00 0.00 ATOM 296 N GLY A 39 -7.262 7.811 41.283 1.00 0.00 ATOM 297 CA GLY A 39 -8.599 8.256 41.008 1.00 0.00 ATOM 298 O GLY A 39 -9.596 9.757 39.444 1.00 0.00 ATOM 299 C GLY A 39 -8.649 9.545 40.203 1.00 0.00 ATOM 300 N THR A 40 -7.692 10.369 40.275 1.00 0.00 ATOM 301 CA THR A 40 -7.626 11.630 39.538 1.00 0.00 ATOM 302 CB THR A 40 -7.355 12.859 40.425 1.00 0.00 ATOM 303 CG2 THR A 40 -8.453 13.018 41.465 1.00 0.00 ATOM 304 OG1 THR A 40 -6.099 12.700 41.095 1.00 0.00 ATOM 305 O THR A 40 -6.250 12.682 37.847 1.00 0.00 ATOM 306 C THR A 40 -6.547 11.644 38.437 1.00 0.00 ATOM 307 N THR A 41 -5.955 10.487 38.130 1.00 0.00 ATOM 308 CA THR A 41 -4.975 10.411 37.051 1.00 0.00 ATOM 309 CB THR A 41 -4.583 8.953 36.747 1.00 0.00 ATOM 310 CG2 THR A 41 -3.578 8.898 35.607 1.00 0.00 ATOM 311 OG1 THR A 41 -3.996 8.361 37.912 1.00 0.00 ATOM 312 O THR A 41 -4.820 11.852 35.080 1.00 0.00 ATOM 313 C THR A 41 -5.464 10.994 35.731 1.00 0.00 ATOM 314 N THR A 42 -6.630 10.564 35.291 1.00 0.00 ATOM 315 CA THR A 42 -7.202 11.087 34.039 1.00 0.00 ATOM 316 CB THR A 42 -8.522 10.394 33.649 1.00 0.00 ATOM 317 CG2 THR A 42 -9.043 10.946 32.330 1.00 0.00 ATOM 318 OG1 THR A 42 -8.302 8.986 33.508 1.00 0.00 ATOM 319 O THR A 42 -7.150 13.314 33.155 1.00 0.00 ATOM 320 C THR A 42 -7.519 12.567 34.084 1.00 0.00 ATOM 321 N ARG A 43 -8.246 13.045 35.170 1.00 0.00 ATOM 322 CA ARG A 43 -8.600 14.453 35.309 1.00 0.00 ATOM 323 CB ARG A 43 -9.407 14.669 36.591 1.00 0.00 ATOM 324 CG ARG A 43 -10.813 14.094 36.543 1.00 0.00 ATOM 325 CD ARG A 43 -11.542 14.303 37.860 1.00 0.00 ATOM 326 NE ARG A 43 -12.877 13.711 37.848 1.00 0.00 ATOM 327 CZ ARG A 43 -13.700 13.703 38.891 1.00 0.00 ATOM 328 NH1 ARG A 43 -14.896 13.143 38.787 1.00 0.00 ATOM 329 NH2 ARG A 43 -13.325 14.257 40.037 1.00 0.00 ATOM 330 O ARG A 43 -7.254 16.336 34.634 1.00 0.00 ATOM 331 C ARG A 43 -7.351 15.339 35.373 1.00 0.00 ATOM 332 N ASP A 44 -6.389 15.000 36.237 1.00 0.00 ATOM 333 CA ASP A 44 -5.224 15.855 36.378 1.00 0.00 ATOM 334 CB ASP A 44 -4.410 15.424 37.633 1.00 0.00 ATOM 335 CG ASP A 44 -5.144 15.647 38.936 1.00 0.00 ATOM 336 OD1 ASP A 44 -6.184 16.338 38.930 1.00 0.00 ATOM 337 OD2 ASP A 44 -4.748 15.168 40.022 1.00 0.00 ATOM 338 O ASP A 44 -3.794 16.954 34.773 1.00 0.00 ATOM 339 C ASP A 44 -4.295 15.883 35.171 1.00 0.00 ATOM 340 N PHE A 45 -4.060 14.697 34.591 1.00 0.00 ATOM 341 CA PHE A 45 -3.205 14.666 33.392 1.00 0.00 ATOM 342 CB PHE A 45 -2.906 13.275 32.920 1.00 0.00 ATOM 343 CG PHE A 45 -1.746 12.663 33.666 1.00 0.00 ATOM 344 CD1 PHE A 45 -1.940 12.026 34.888 1.00 0.00 ATOM 345 CD2 PHE A 45 -0.443 12.823 33.199 1.00 0.00 ATOM 346 CE1 PHE A 45 -0.851 11.566 35.636 1.00 0.00 ATOM 347 CE2 PHE A 45 0.651 12.368 33.940 1.00 0.00 ATOM 348 CZ PHE A 45 0.443 11.739 35.162 1.00 0.00 ATOM 349 O PHE A 45 -3.169 16.234 31.568 1.00 0.00 ATOM 350 C PHE A 45 -3.849 15.434 32.231 1.00 0.00 ATOM 351 N THR A 46 -5.154 15.245 32.037 1.00 0.00 ATOM 352 CA THR A 46 -5.816 15.946 30.945 1.00 0.00 ATOM 353 CB THR A 46 -7.282 15.500 30.794 1.00 0.00 ATOM 354 CG2 THR A 46 -7.962 16.274 29.674 1.00 0.00 ATOM 355 OG1 THR A 46 -7.330 14.101 30.488 1.00 0.00 ATOM 356 O THR A 46 -5.616 18.248 30.268 1.00 0.00 ATOM 357 C THR A 46 -5.795 17.457 31.195 1.00 0.00 ATOM 358 N GLN A 47 -6.041 17.854 32.455 1.00 0.00 ATOM 359 CA GLN A 47 -6.113 19.271 32.779 1.00 0.00 ATOM 360 CB GLN A 47 -6.688 19.460 34.184 1.00 0.00 ATOM 361 CG GLN A 47 -8.174 19.161 34.292 1.00 0.00 ATOM 362 CD GLN A 47 -8.684 19.250 35.717 1.00 0.00 ATOM 363 OE1 GLN A 47 -7.908 19.439 36.653 1.00 0.00 ATOM 364 NE2 GLN A 47 -9.995 19.115 35.884 1.00 0.00 ATOM 365 O GLN A 47 -4.593 21.043 32.271 1.00 0.00 ATOM 366 C GLN A 47 -4.731 19.901 32.719 1.00 0.00 ATOM 367 N LEU A 48 -3.707 19.170 33.149 1.00 0.00 ATOM 368 CA LEU A 48 -2.331 19.655 33.072 1.00 0.00 ATOM 369 CB LEU A 48 -1.343 18.653 33.675 1.00 0.00 ATOM 370 CG LEU A 48 -1.392 18.483 35.194 1.00 0.00 ATOM 371 CD1 LEU A 48 -0.497 17.337 35.637 1.00 0.00 ATOM 372 CD2 LEU A 48 -0.922 19.751 35.892 1.00 0.00 ATOM 373 O LEU A 48 -1.329 20.894 31.293 1.00 0.00 ATOM 374 C LEU A 48 -1.937 19.887 31.622 1.00 0.00 ATOM 375 N ASN A 49 -2.290 18.942 30.751 1.00 0.00 ATOM 376 CA ASN A 49 -2.027 19.113 29.316 1.00 0.00 ATOM 377 CB ASN A 49 -2.529 17.793 28.611 1.00 0.00 ATOM 378 CG ASN A 49 -1.838 17.529 27.290 1.00 0.00 ATOM 379 ND2 ASN A 49 -2.573 17.680 26.196 1.00 0.00 ATOM 380 OD1 ASN A 49 -0.652 17.199 27.255 1.00 0.00 ATOM 381 O ASN A 49 -2.049 20.994 27.851 1.00 0.00 ATOM 382 C ASN A 49 -2.685 20.326 28.665 1.00 0.00 ATOM 383 N GLU A 50 -3.942 20.617 28.997 1.00 0.00 ATOM 384 CA GLU A 50 -4.584 21.783 28.397 1.00 0.00 ATOM 385 CB GLU A 50 -5.987 21.819 29.008 1.00 0.00 ATOM 386 CG GLU A 50 -6.830 22.999 28.556 1.00 0.00 ATOM 387 CD GLU A 50 -8.223 22.984 29.155 1.00 0.00 ATOM 388 OE1 GLU A 50 -8.532 22.041 29.914 1.00 0.00 ATOM 389 OE2 GLU A 50 -9.005 23.913 28.865 1.00 0.00 ATOM 390 O GLU A 50 -3.661 23.964 28.020 1.00 0.00 ATOM 391 C GLU A 50 -3.847 23.050 28.810 1.00 0.00 ATOM 392 N LEU A 51 -3.421 23.122 30.061 1.00 0.00 ATOM 393 CA LEU A 51 -2.705 24.309 30.531 1.00 0.00 ATOM 394 CB LEU A 51 -2.496 24.244 32.058 1.00 0.00 ATOM 395 CG LEU A 51 -3.819 24.305 32.845 1.00 0.00 ATOM 396 CD1 LEU A 51 -3.596 23.937 34.327 1.00 0.00 ATOM 397 CD2 LEU A 51 -4.394 25.712 32.728 1.00 0.00 ATOM 398 O LEU A 51 -1.025 25.568 29.395 1.00 0.00 ATOM 399 C LEU A 51 -1.375 24.458 29.805 1.00 0.00 ATOM 400 N GLN A 52 -0.625 23.378 29.618 1.00 0.00 ATOM 401 CA GLN A 52 0.637 23.469 28.900 1.00 0.00 ATOM 402 CB GLN A 52 1.317 22.101 28.806 1.00 0.00 ATOM 403 CG GLN A 52 2.713 22.141 28.208 1.00 0.00 ATOM 404 CD GLN A 52 3.688 22.933 29.057 1.00 0.00 ATOM 405 OE1 GLN A 52 3.741 22.770 30.276 1.00 0.00 ATOM 406 NE2 GLN A 52 4.465 23.798 28.414 1.00 0.00 ATOM 407 O GLN A 52 1.215 24.833 27.026 1.00 0.00 ATOM 408 C GLN A 52 0.436 24.009 27.488 1.00 0.00 ATOM 409 N CYS A 53 -0.611 23.536 26.813 1.00 0.00 ATOM 410 CA CYS A 53 -0.893 23.931 25.432 1.00 0.00 ATOM 411 CB CYS A 53 -2.048 23.105 24.865 1.00 0.00 ATOM 412 SG CYS A 53 -1.648 21.368 24.562 1.00 0.00 ATOM 413 O CYS A 53 -0.772 26.163 24.514 1.00 0.00 ATOM 414 C CYS A 53 -1.276 25.403 25.360 1.00 0.00 ATOM 415 N ARG A 54 -2.146 25.825 26.264 1.00 0.00 ATOM 416 CA ARG A 54 -2.698 27.165 26.194 1.00 0.00 ATOM 417 CB ARG A 54 -4.031 27.199 26.915 1.00 0.00 ATOM 418 CG ARG A 54 -4.975 26.082 26.477 1.00 0.00 ATOM 419 CD ARG A 54 -5.374 26.235 25.014 1.00 0.00 ATOM 420 NE ARG A 54 -5.837 24.978 24.429 1.00 0.00 ATOM 421 CZ ARG A 54 -7.006 24.401 24.688 1.00 0.00 ATOM 422 NH1 ARG A 54 -7.313 23.251 24.099 1.00 0.00 ATOM 423 NH2 ARG A 54 -7.871 24.968 25.521 1.00 0.00 ATOM 424 O ARG A 54 -2.235 29.426 26.810 1.00 0.00 ATOM 425 C ARG A 54 -1.944 28.239 26.954 1.00 0.00 ATOM 426 N PHE A 55 -1.024 27.910 27.817 1.00 0.00 ATOM 427 CA PHE A 55 -0.282 28.888 28.592 1.00 0.00 ATOM 428 CB PHE A 55 -0.529 28.798 30.099 1.00 0.00 ATOM 429 CG PHE A 55 -1.921 29.185 30.510 1.00 0.00 ATOM 430 CD1 PHE A 55 -2.865 28.218 30.808 1.00 0.00 ATOM 431 CD2 PHE A 55 -2.286 30.518 30.598 1.00 0.00 ATOM 432 CE1 PHE A 55 -4.145 28.575 31.186 1.00 0.00 ATOM 433 CE2 PHE A 55 -3.566 30.874 30.976 1.00 0.00 ATOM 434 CZ PHE A 55 -4.494 29.910 31.269 1.00 0.00 ATOM 435 O PHE A 55 1.964 29.613 28.776 1.00 0.00 ATOM 436 C PHE A 55 1.220 28.723 28.393 1.00 0.00 ATOM 437 N PRO A 56 1.906 29.157 26.414 1.00 0.00 ATOM 438 CA PRO A 56 2.435 30.291 25.653 1.00 0.00 ATOM 439 CB PRO A 56 1.471 30.426 24.472 1.00 0.00 ATOM 440 CG PRO A 56 0.204 29.799 24.951 1.00 0.00 ATOM 441 CD PRO A 56 0.612 28.657 25.839 1.00 0.00 ATOM 442 O PRO A 56 3.224 32.509 26.033 1.00 0.00 ATOM 443 C PRO A 56 2.492 31.600 26.430 1.00 0.00 ATOM 444 N ARG A 57 1.728 31.712 27.508 1.00 0.00 ATOM 445 CA ARG A 57 1.740 32.893 28.348 1.00 0.00 ATOM 446 CB ARG A 57 0.406 33.679 28.025 1.00 0.00 ATOM 447 CG ARG A 57 0.392 35.123 28.466 1.00 0.00 ATOM 448 CD ARG A 57 -0.940 35.774 28.135 1.00 0.00 ATOM 449 NE ARG A 57 -1.410 35.401 26.801 1.00 0.00 ATOM 450 CZ ARG A 57 -2.436 34.581 26.569 1.00 0.00 ATOM 451 NH1 ARG A 57 -3.110 34.049 27.583 1.00 0.00 ATOM 452 NH2 ARG A 57 -2.781 34.280 25.321 1.00 0.00 ATOM 453 O ARG A 57 2.532 33.458 30.539 1.00 0.00 ATOM 454 C ARG A 57 2.701 32.764 29.535 1.00 0.00 ATOM 455 N ARG A 58 3.790 31.758 29.449 1.00 0.00 ATOM 456 CA ARG A 58 4.837 31.590 30.483 1.00 0.00 ATOM 457 CB ARG A 58 5.505 33.164 30.602 1.00 0.00 ATOM 458 CG ARG A 58 5.474 34.105 29.396 1.00 0.00 ATOM 459 CD ARG A 58 6.040 35.477 29.762 1.00 0.00 ATOM 460 NE ARG A 58 5.413 36.024 30.968 1.00 0.00 ATOM 461 CZ ARG A 58 6.033 36.181 32.139 1.00 0.00 ATOM 462 NH1 ARG A 58 7.310 35.837 32.283 1.00 0.00 ATOM 463 NH2 ARG A 58 5.372 36.679 33.178 1.00 0.00 ATOM 464 O ARG A 58 4.787 30.820 32.762 1.00 0.00 ATOM 465 C ARG A 58 4.458 30.612 31.595 1.00 0.00 ATOM 466 N LEU A 59 3.788 29.533 31.288 1.00 0.00 ATOM 467 CA LEU A 59 3.367 28.540 32.269 1.00 0.00 ATOM 468 CB LEU A 59 1.903 28.100 32.214 1.00 0.00 ATOM 469 CG LEU A 59 1.499 26.972 33.166 1.00 0.00 ATOM 470 CD1 LEU A 59 1.615 27.422 34.614 1.00 0.00 ATOM 471 CD2 LEU A 59 0.060 26.546 32.915 1.00 0.00 ATOM 472 O LEU A 59 4.180 26.836 30.792 1.00 0.00 ATOM 473 C LEU A 59 4.163 27.281 31.936 1.00 0.00 ATOM 474 N VAL A 60 4.792 26.711 32.947 1.00 0.00 ATOM 475 CA VAL A 60 5.535 25.473 32.783 1.00 0.00 ATOM 476 CB VAL A 60 7.054 25.603 33.000 1.00 0.00 ATOM 477 CG1 VAL A 60 7.728 24.244 32.881 1.00 0.00 ATOM 478 CG2 VAL A 60 7.663 26.532 31.963 1.00 0.00 ATOM 479 O VAL A 60 5.049 24.727 35.015 1.00 0.00 ATOM 480 C VAL A 60 4.999 24.479 33.812 1.00 0.00 ATOM 481 N VAL A 61 4.447 23.372 33.335 1.00 0.00 ATOM 482 CA VAL A 61 3.920 22.346 34.221 1.00 0.00 ATOM 483 CB VAL A 61 2.675 21.673 33.615 1.00 0.00 ATOM 484 CG1 VAL A 61 2.184 20.550 34.516 1.00 0.00 ATOM 485 CG2 VAL A 61 1.549 22.684 33.452 1.00 0.00 ATOM 486 O VAL A 61 5.689 20.860 33.443 1.00 0.00 ATOM 487 C VAL A 61 5.013 21.272 34.416 1.00 0.00 ATOM 488 N LEU A 62 5.220 20.861 35.667 1.00 0.00 ATOM 489 CA LEU A 62 6.258 19.898 36.014 1.00 0.00 ATOM 490 CB LEU A 62 7.365 20.581 36.820 1.00 0.00 ATOM 491 CG LEU A 62 8.127 21.703 36.110 1.00 0.00 ATOM 492 CD1 LEU A 62 9.061 22.415 37.077 1.00 0.00 ATOM 493 CD2 LEU A 62 8.961 21.147 34.966 1.00 0.00 ATOM 494 O LEU A 62 5.018 19.076 37.858 1.00 0.00 ATOM 495 C LEU A 62 5.637 18.792 36.846 1.00 0.00 ATOM 496 N GLY A 63 5.802 17.544 36.413 1.00 0.00 ATOM 497 CA GLY A 63 5.233 16.393 37.109 1.00 0.00 ATOM 498 O GLY A 63 7.314 15.208 37.040 1.00 0.00 ATOM 499 C GLY A 63 6.295 15.485 37.699 1.00 0.00 ATOM 500 N PHE A 64 6.071 15.084 38.956 1.00 0.00 ATOM 501 CA PHE A 64 7.004 14.270 39.706 1.00 0.00 ATOM 502 CB PHE A 64 7.462 15.004 40.969 1.00 0.00 ATOM 503 CG PHE A 64 8.193 16.286 40.692 1.00 0.00 ATOM 504 CD1 PHE A 64 7.510 17.486 40.611 1.00 0.00 ATOM 505 CD2 PHE A 64 9.567 16.292 40.515 1.00 0.00 ATOM 506 CE1 PHE A 64 8.184 18.666 40.356 1.00 0.00 ATOM 507 CE2 PHE A 64 10.240 17.471 40.261 1.00 0.00 ATOM 508 CZ PHE A 64 9.555 18.655 40.181 1.00 0.00 ATOM 509 O PHE A 64 5.352 13.011 40.910 1.00 0.00 ATOM 510 C PHE A 64 6.266 12.986 40.086 1.00 0.00 ATOM 511 N PRO A 65 6.658 11.844 39.452 1.00 0.00 ATOM 512 CA PRO A 65 5.983 10.577 39.762 1.00 0.00 ATOM 513 CB PRO A 65 6.341 9.703 38.567 1.00 0.00 ATOM 514 CG PRO A 65 7.756 10.160 38.240 1.00 0.00 ATOM 515 CD PRO A 65 7.684 11.674 38.404 1.00 0.00 ATOM 516 O PRO A 65 7.560 10.379 41.543 1.00 0.00 ATOM 517 C PRO A 65 6.400 10.192 41.169 1.00 0.00 ATOM 518 N CYS A 66 5.474 9.625 41.924 1.00 0.00 ATOM 519 CA CYS A 66 5.735 9.249 43.293 1.00 0.00 ATOM 520 CB CYS A 66 5.846 10.563 44.202 1.00 0.00 ATOM 521 SG CYS A 66 6.677 11.958 43.603 1.00 0.00 ATOM 522 O CYS A 66 3.659 8.064 43.409 1.00 0.00 ATOM 523 C CYS A 66 4.866 8.053 43.672 1.00 0.00 ATOM 524 N ASN A 67 5.489 7.056 44.329 1.00 0.00 ATOM 525 CA ASN A 67 4.826 5.818 44.684 1.00 0.00 ATOM 526 CB ASN A 67 5.729 4.621 44.380 1.00 0.00 ATOM 527 CG ASN A 67 6.977 4.601 45.241 1.00 0.00 ATOM 528 ND2 ASN A 67 7.768 3.542 45.108 1.00 0.00 ATOM 529 OD1 ASN A 67 7.226 5.526 46.013 1.00 0.00 ATOM 530 O ASN A 67 4.259 4.623 46.663 1.00 0.00 ATOM 531 C ASN A 67 4.464 5.726 46.156 1.00 0.00 ATOM 532 N GLN A 68 4.325 6.854 46.845 1.00 0.00 ATOM 533 CA GLN A 68 4.070 6.808 48.277 1.00 0.00 ATOM 534 CB GLN A 68 4.641 8.048 48.968 1.00 0.00 ATOM 535 CG GLN A 68 6.147 8.198 48.829 1.00 0.00 ATOM 536 CD GLN A 68 6.906 7.031 49.427 1.00 0.00 ATOM 537 OE1 GLN A 68 6.629 6.606 50.548 1.00 0.00 ATOM 538 NE2 GLN A 68 7.870 6.507 48.677 1.00 0.00 ATOM 539 O GLN A 68 2.316 6.671 49.897 1.00 0.00 ATOM 540 C GLN A 68 2.607 6.754 48.683 1.00 0.00 ATOM 541 N PHE A 69 1.622 6.875 47.567 1.00 0.00 ATOM 542 CA PHE A 69 0.201 7.028 47.892 1.00 0.00 ATOM 543 CB PHE A 69 -0.138 8.593 47.844 1.00 0.00 ATOM 544 CG PHE A 69 0.628 9.492 48.768 1.00 0.00 ATOM 545 CD1 PHE A 69 0.429 9.434 50.142 1.00 0.00 ATOM 546 CD2 PHE A 69 1.538 10.414 48.258 1.00 0.00 ATOM 547 CE1 PHE A 69 1.124 10.285 51.001 1.00 0.00 ATOM 548 CE2 PHE A 69 2.240 11.268 49.107 1.00 0.00 ATOM 549 CZ PHE A 69 2.032 11.203 50.481 1.00 0.00 ATOM 550 O PHE A 69 -1.061 5.895 46.167 1.00 0.00 ATOM 551 C PHE A 69 -0.606 5.862 47.321 1.00 0.00 ATOM 552 N GLY A 70 -0.741 4.813 48.126 1.00 0.00 ATOM 553 CA GLY A 70 -1.444 3.613 47.660 1.00 0.00 ATOM 554 O GLY A 70 -1.231 2.052 45.850 1.00 0.00 ATOM 555 C GLY A 70 -0.653 2.854 46.622 1.00 0.00 ATOM 556 N HIS A 71 0.669 3.115 46.558 1.00 0.00 ATOM 557 CA HIS A 71 1.551 2.559 45.505 1.00 0.00 ATOM 558 CB HIS A 71 1.804 1.069 45.736 1.00 0.00 ATOM 559 CG HIS A 71 2.441 0.762 47.056 1.00 0.00 ATOM 560 CD2 HIS A 71 2.044 0.043 48.258 1.00 0.00 ATOM 561 ND1 HIS A 71 3.710 1.185 47.388 1.00 0.00 ATOM 562 CE1 HIS A 71 4.003 0.758 48.629 1.00 0.00 ATOM 563 NE2 HIS A 71 3.008 0.073 49.157 1.00 0.00 ATOM 564 O HIS A 71 1.139 1.882 43.196 1.00 0.00 ATOM 565 C HIS A 71 1.061 2.780 44.093 1.00 0.00 ATOM 566 N GLN A 72 0.440 3.979 43.846 1.00 0.00 ATOM 567 CA GLN A 72 -0.270 4.182 42.566 1.00 0.00 ATOM 568 CB GLN A 72 -1.737 4.622 43.050 1.00 0.00 ATOM 569 CG GLN A 72 -2.694 3.503 43.425 1.00 0.00 ATOM 570 CD GLN A 72 -3.721 4.054 44.410 1.00 0.00 ATOM 571 OE1 GLN A 72 -3.582 3.871 45.618 1.00 0.00 ATOM 572 NE2 GLN A 72 -4.723 4.734 43.858 1.00 0.00 ATOM 573 O GLN A 72 0.164 4.931 40.314 1.00 0.00 ATOM 574 C GLN A 72 0.627 4.595 41.395 1.00 0.00 ATOM 575 N GLU A 73 2.015 4.544 41.666 1.00 0.00 ATOM 576 CA GLU A 73 3.062 4.704 40.636 1.00 0.00 ATOM 577 CB GLU A 73 3.055 5.979 39.927 1.00 0.00 ATOM 578 CG GLU A 73 3.949 5.953 38.687 1.00 0.00 ATOM 579 CD GLU A 73 3.662 7.087 37.723 1.00 0.00 ATOM 580 OE1 GLU A 73 4.346 7.168 36.683 1.00 0.00 ATOM 581 OE2 GLU A 73 2.753 7.898 38.000 1.00 0.00 ATOM 582 O GLU A 73 5.260 3.772 40.954 1.00 0.00 ATOM 583 C GLU A 73 4.052 3.558 40.759 1.00 0.00 ATOM 584 N ASN A 74 3.573 2.324 40.607 1.00 0.00 ATOM 585 CA ASN A 74 4.432 1.139 40.729 1.00 0.00 ATOM 586 CB ASN A 74 3.584 -0.120 40.918 1.00 0.00 ATOM 587 CG ASN A 74 2.903 -0.166 42.272 1.00 0.00 ATOM 588 ND2 ASN A 74 1.823 -0.933 42.365 1.00 0.00 ATOM 589 OD1 ASN A 74 3.345 0.481 43.223 1.00 0.00 ATOM 590 O ASN A 74 6.360 0.219 39.636 1.00 0.00 ATOM 591 C ASN A 74 5.314 0.890 39.519 1.00 0.00 ATOM 592 N CYS A 75 4.906 1.409 38.368 1.00 0.00 ATOM 593 CA CYS A 75 5.687 1.217 37.141 1.00 0.00 ATOM 594 CB CYS A 75 4.961 1.830 35.942 1.00 0.00 ATOM 595 SG CYS A 75 3.394 1.029 35.529 1.00 0.00 ATOM 596 O CYS A 75 7.193 2.894 37.951 1.00 0.00 ATOM 597 C CYS A 75 7.056 1.883 37.267 1.00 0.00 ATOM 598 N GLN A 76 8.032 1.322 36.569 1.00 0.00 ATOM 599 CA GLN A 76 9.385 1.888 36.509 1.00 0.00 ATOM 600 CB GLN A 76 10.358 0.886 35.886 1.00 0.00 ATOM 601 CG GLN A 76 10.524 -0.397 36.685 1.00 0.00 ATOM 602 CD GLN A 76 11.077 -0.151 38.074 1.00 0.00 ATOM 603 OE1 GLN A 76 12.098 0.519 38.237 1.00 0.00 ATOM 604 NE2 GLN A 76 10.404 -0.693 39.083 1.00 0.00 ATOM 605 O GLN A 76 8.430 3.363 34.842 1.00 0.00 ATOM 606 C GLN A 76 9.333 3.159 35.653 1.00 0.00 ATOM 607 N ASN A 77 10.357 4.000 35.803 1.00 0.00 ATOM 608 CA ASN A 77 10.466 5.212 35.006 1.00 0.00 ATOM 609 CB ASN A 77 11.845 5.850 35.187 1.00 0.00 ATOM 610 CG ASN A 77 12.007 6.512 36.540 1.00 0.00 ATOM 611 ND2 ASN A 77 13.251 6.801 36.909 1.00 0.00 ATOM 612 OD1 ASN A 77 11.028 6.762 37.242 1.00 0.00 ATOM 613 O ASN A 77 9.545 5.619 32.841 1.00 0.00 ATOM 614 C ASN A 77 10.272 4.914 33.532 1.00 0.00 ATOM 615 N GLU A 78 10.897 3.839 33.072 1.00 0.00 ATOM 616 CA GLU A 78 10.850 3.459 31.659 1.00 0.00 ATOM 617 CB GLU A 78 11.898 2.385 31.357 1.00 0.00 ATOM 618 CG GLU A 78 13.333 2.876 31.453 1.00 0.00 ATOM 619 CD GLU A 78 14.343 1.763 31.256 1.00 0.00 ATOM 620 OE1 GLU A 78 13.920 0.602 31.068 1.00 0.00 ATOM 621 OE2 GLU A 78 15.558 2.050 31.289 1.00 0.00 ATOM 622 O GLU A 78 9.147 3.047 29.973 1.00 0.00 ATOM 623 C GLU A 78 9.453 3.021 31.194 1.00 0.00 ATOM 624 N GLU A 79 8.609 2.638 32.156 1.00 0.00 ATOM 625 CA GLU A 79 7.253 2.112 31.836 1.00 0.00 ATOM 626 CB GLU A 79 6.913 1.031 32.864 1.00 0.00 ATOM 627 CG GLU A 79 7.853 -0.164 32.842 1.00 0.00 ATOM 628 CD GLU A 79 7.488 -1.211 33.875 1.00 0.00 ATOM 629 OE1 GLU A 79 6.503 -0.999 34.614 1.00 0.00 ATOM 630 OE2 GLU A 79 8.187 -2.244 33.947 1.00 0.00 ATOM 631 O GLU A 79 5.031 2.888 31.465 1.00 0.00 ATOM 632 C GLU A 79 6.139 3.142 31.918 1.00 0.00 ATOM 633 N ILE A 80 6.411 4.295 32.532 1.00 0.00 ATOM 634 CA ILE A 80 5.329 5.243 32.847 1.00 0.00 ATOM 635 CB ILE A 80 5.928 6.449 33.665 1.00 0.00 ATOM 636 CG1 ILE A 80 6.514 5.948 34.987 1.00 0.00 ATOM 637 CG2 ILE A 80 4.850 7.490 33.928 1.00 0.00 ATOM 638 CD1 ILE A 80 7.200 7.016 35.805 1.00 0.00 ATOM 639 O ILE A 80 3.383 5.850 31.571 1.00 0.00 ATOM 640 C ILE A 80 4.615 5.805 31.618 1.00 0.00 ATOM 641 N LEU A 81 5.365 6.260 30.624 1.00 0.00 ATOM 642 CA LEU A 81 4.777 6.825 29.417 1.00 0.00 ATOM 643 CB LEU A 81 5.841 7.308 28.429 1.00 0.00 ATOM 644 CG LEU A 81 6.642 8.543 28.846 1.00 0.00 ATOM 645 CD1 LEU A 81 7.776 8.804 27.867 1.00 0.00 ATOM 646 CD2 LEU A 81 5.750 9.775 28.879 1.00 0.00 ATOM 647 O LEU A 81 2.824 6.086 28.222 1.00 0.00 ATOM 648 C LEU A 81 3.917 5.778 28.717 1.00 0.00 ATOM 649 N ASN A 82 4.371 4.526 28.693 1.00 0.00 ATOM 650 CA ASN A 82 3.551 3.469 28.098 1.00 0.00 ATOM 651 CB ASN A 82 4.311 2.141 28.094 1.00 0.00 ATOM 652 CG ASN A 82 5.424 2.109 27.066 1.00 0.00 ATOM 653 ND2 ASN A 82 6.374 1.201 27.253 1.00 0.00 ATOM 654 OD1 ASN A 82 5.426 2.892 26.116 1.00 0.00 ATOM 655 O ASN A 82 1.185 3.018 28.308 1.00 0.00 ATOM 656 C ASN A 82 2.251 3.277 28.881 1.00 0.00 ATOM 657 N SER A 83 2.322 3.360 30.208 1.00 0.00 ATOM 658 CA SER A 83 1.095 3.194 30.990 1.00 0.00 ATOM 659 CB SER A 83 1.406 3.236 32.488 1.00 0.00 ATOM 660 OG SER A 83 2.197 2.128 32.877 1.00 0.00 ATOM 661 O SER A 83 -1.096 4.118 30.460 1.00 0.00 ATOM 662 C SER A 83 0.109 4.298 30.638 1.00 0.00 ATOM 663 N LEU A 84 0.633 5.506 30.556 1.00 0.00 ATOM 664 CA LEU A 84 -0.196 6.665 30.213 1.00 0.00 ATOM 665 CB LEU A 84 0.594 7.975 30.254 1.00 0.00 ATOM 666 CG LEU A 84 1.084 8.428 31.631 1.00 0.00 ATOM 667 CD1 LEU A 84 1.998 9.637 31.506 1.00 0.00 ATOM 668 CD2 LEU A 84 -0.090 8.809 32.522 1.00 0.00 ATOM 669 O LEU A 84 -2.001 6.796 28.629 1.00 0.00 ATOM 670 C LEU A 84 -0.817 6.500 28.831 1.00 0.00 ATOM 671 N LYS A 85 -0.026 6.035 27.865 1.00 0.00 ATOM 672 CA LYS A 85 -0.474 5.937 26.467 1.00 0.00 ATOM 673 CB LYS A 85 0.721 5.681 25.547 1.00 0.00 ATOM 674 CG LYS A 85 1.687 6.851 25.444 1.00 0.00 ATOM 675 CD LYS A 85 2.814 6.550 24.469 1.00 0.00 ATOM 676 CE LYS A 85 3.792 7.711 24.382 1.00 0.00 ATOM 677 NZ LYS A 85 4.910 7.428 23.441 1.00 0.00 ATOM 678 O LYS A 85 -2.516 4.975 25.699 1.00 0.00 ATOM 679 C LYS A 85 -1.469 4.805 26.334 1.00 0.00 ATOM 680 N TYR A 86 -1.183 3.632 26.871 1.00 0.00 ATOM 681 CA TYR A 86 -2.003 2.463 26.549 1.00 0.00 ATOM 682 CB TYR A 86 -1.046 1.307 26.251 1.00 0.00 ATOM 683 CG TYR A 86 -0.136 1.555 25.070 1.00 0.00 ATOM 684 CD1 TYR A 86 1.181 1.956 25.258 1.00 0.00 ATOM 685 CD2 TYR A 86 -0.596 1.387 23.771 1.00 0.00 ATOM 686 CE1 TYR A 86 2.020 2.185 24.183 1.00 0.00 ATOM 687 CE2 TYR A 86 0.229 1.612 22.684 1.00 0.00 ATOM 688 CZ TYR A 86 1.547 2.013 22.901 1.00 0.00 ATOM 689 OH TYR A 86 2.380 2.240 21.830 1.00 0.00 ATOM 690 O TYR A 86 -3.764 1.102 27.357 1.00 0.00 ATOM 691 C TYR A 86 -2.928 1.963 27.641 1.00 0.00 ATOM 692 N VAL A 87 -2.756 2.449 28.872 1.00 0.00 ATOM 693 CA VAL A 87 -3.578 1.974 30.009 1.00 0.00 ATOM 694 CB VAL A 87 -2.700 1.518 31.188 1.00 0.00 ATOM 695 CG1 VAL A 87 -3.567 1.057 32.350 1.00 0.00 ATOM 696 CG2 VAL A 87 -1.802 0.363 30.770 1.00 0.00 ATOM 697 O VAL A 87 -5.735 2.901 30.482 1.00 0.00 ATOM 698 C VAL A 87 -4.510 3.038 30.569 1.00 0.00 ATOM 699 N ARG A 88 -3.940 4.098 31.132 1.00 0.00 ATOM 700 CA ARG A 88 -4.706 5.165 31.768 1.00 0.00 ATOM 701 CB ARG A 88 -5.007 4.843 33.233 1.00 0.00 ATOM 702 CG ARG A 88 -5.845 5.895 33.941 1.00 0.00 ATOM 703 CD ARG A 88 -6.116 5.506 35.385 1.00 0.00 ATOM 704 NE ARG A 88 -6.919 4.289 35.483 1.00 0.00 ATOM 705 CZ ARG A 88 -6.923 3.480 36.538 1.00 0.00 ATOM 706 NH1 ARG A 88 -7.685 2.395 36.538 1.00 0.00 ATOM 707 NH2 ARG A 88 -6.167 3.759 37.590 1.00 0.00 ATOM 708 O ARG A 88 -2.770 6.479 32.229 1.00 0.00 ATOM 709 C ARG A 88 -3.868 6.451 31.679 1.00 0.00 ATOM 710 N PRO A 89 -4.376 7.514 31.023 1.00 0.00 ATOM 711 CA PRO A 89 -5.660 7.638 30.328 1.00 0.00 ATOM 712 CB PRO A 89 -5.652 9.070 29.791 1.00 0.00 ATOM 713 CG PRO A 89 -4.711 9.801 30.689 1.00 0.00 ATOM 714 CD PRO A 89 -3.632 8.820 31.050 1.00 0.00 ATOM 715 O PRO A 89 -6.979 6.346 28.818 1.00 0.00 ATOM 716 C PRO A 89 -5.850 6.648 29.193 1.00 0.00 ATOM 717 N GLY A 90 -4.756 6.152 28.638 1.00 0.00 ATOM 718 CA GLY A 90 -4.847 5.288 27.472 1.00 0.00 ATOM 719 O GLY A 90 -5.262 7.284 26.181 1.00 0.00 ATOM 720 C GLY A 90 -5.279 6.049 26.229 1.00 0.00 ATOM 721 N GLY A 91 -5.675 5.293 25.215 1.00 0.00 ATOM 722 CA GLY A 91 -6.192 5.895 24.002 1.00 0.00 ATOM 723 O GLY A 91 -5.534 7.544 22.406 1.00 0.00 ATOM 724 C GLY A 91 -5.169 6.722 23.243 1.00 0.00 ATOM 725 N GLY A 92 -3.776 6.615 23.624 1.00 0.00 ATOM 726 CA GLY A 92 -2.733 7.362 22.933 1.00 0.00 ATOM 727 O GLY A 92 -1.471 9.367 23.151 1.00 0.00 ATOM 728 C GLY A 92 -2.256 8.596 23.679 1.00 0.00 ATOM 729 N TYR A 93 -2.729 8.785 24.912 1.00 0.00 ATOM 730 CA TYR A 93 -2.396 9.984 25.687 1.00 0.00 ATOM 731 CB TYR A 93 -3.019 9.910 27.083 1.00 0.00 ATOM 732 CG TYR A 93 -2.706 11.104 27.957 1.00 0.00 ATOM 733 CD1 TYR A 93 -3.339 12.322 27.748 1.00 0.00 ATOM 734 CD2 TYR A 93 -1.779 11.007 28.986 1.00 0.00 ATOM 735 CE1 TYR A 93 -3.059 13.419 28.542 1.00 0.00 ATOM 736 CE2 TYR A 93 -1.487 12.093 29.790 1.00 0.00 ATOM 737 CZ TYR A 93 -2.137 13.305 29.560 1.00 0.00 ATOM 738 OH TYR A 93 -1.856 14.395 30.352 1.00 0.00 ATOM 739 O TYR A 93 -0.210 9.279 26.425 1.00 0.00 ATOM 740 C TYR A 93 -0.901 10.180 25.951 1.00 0.00 ATOM 741 N GLN A 94 -0.416 11.378 25.694 1.00 0.00 ATOM 742 CA GLN A 94 0.962 11.778 25.924 1.00 0.00 ATOM 743 CB GLN A 94 1.732 11.956 24.613 1.00 0.00 ATOM 744 CG GLN A 94 3.198 12.310 24.798 1.00 0.00 ATOM 745 CD GLN A 94 3.953 12.369 23.485 1.00 0.00 ATOM 746 OE1 GLN A 94 3.372 12.182 22.415 1.00 0.00 ATOM 747 NE2 GLN A 94 5.253 12.629 23.562 1.00 0.00 ATOM 748 O GLN A 94 0.291 14.065 26.278 1.00 0.00 ATOM 749 C GLN A 94 0.967 13.097 26.696 1.00 0.00 ATOM 750 N PRO A 95 1.726 13.157 27.800 1.00 0.00 ATOM 751 CA PRO A 95 1.889 14.447 28.460 1.00 0.00 ATOM 752 CB PRO A 95 2.754 14.132 29.681 1.00 0.00 ATOM 753 CG PRO A 95 2.502 12.687 29.955 1.00 0.00 ATOM 754 CD PRO A 95 2.358 12.027 28.613 1.00 0.00 ATOM 755 O PRO A 95 3.445 15.064 26.769 1.00 0.00 ATOM 756 C PRO A 95 2.566 15.450 27.543 1.00 0.00 ATOM 757 N THR A 96 2.155 16.715 27.611 1.00 0.00 ATOM 758 CA THR A 96 2.787 17.758 26.831 1.00 0.00 ATOM 759 CB THR A 96 1.743 18.668 26.156 1.00 0.00 ATOM 760 CG2 THR A 96 0.878 17.866 25.196 1.00 0.00 ATOM 761 OG1 THR A 96 0.901 19.258 27.156 1.00 0.00 ATOM 762 O THR A 96 4.117 19.740 27.234 1.00 0.00 ATOM 763 C THR A 96 3.683 18.666 27.683 1.00 0.00 ATOM 764 N PHE A 97 3.991 18.208 28.897 1.00 0.00 ATOM 765 CA PHE A 97 4.783 18.951 29.855 1.00 0.00 ATOM 766 CB PHE A 97 3.911 19.424 31.020 1.00 0.00 ATOM 767 CG PHE A 97 3.344 18.304 31.846 1.00 0.00 ATOM 768 CD1 PHE A 97 4.016 17.842 32.963 1.00 0.00 ATOM 769 CD2 PHE A 97 2.139 17.715 31.505 1.00 0.00 ATOM 770 CE1 PHE A 97 3.495 16.811 33.723 1.00 0.00 ATOM 771 CE2 PHE A 97 1.618 16.686 32.265 1.00 0.00 ATOM 772 CZ PHE A 97 2.291 16.233 33.371 1.00 0.00 ATOM 773 O PHE A 97 6.137 16.972 29.797 1.00 0.00 ATOM 774 C PHE A 97 5.975 18.095 30.275 1.00 0.00 ATOM 775 N THR A 98 6.881 18.450 31.312 1.00 0.00 ATOM 776 CA THR A 98 8.050 17.708 31.759 1.00 0.00 ATOM 777 CB THR A 98 9.157 18.651 32.265 1.00 0.00 ATOM 778 CG2 THR A 98 10.347 17.851 32.773 1.00 0.00 ATOM 779 OG1 THR A 98 9.591 19.501 31.197 1.00 0.00 ATOM 780 O THR A 98 7.159 17.250 33.945 1.00 0.00 ATOM 781 C THR A 98 7.688 16.785 32.928 1.00 0.00 ATOM 782 N LEU A 99 8.075 15.514 32.812 1.00 0.00 ATOM 783 CA LEU A 99 8.048 14.573 33.906 1.00 0.00 ATOM 784 CB LEU A 99 7.345 13.281 33.484 1.00 0.00 ATOM 785 CG LEU A 99 5.892 13.418 33.027 1.00 0.00 ATOM 786 CD1 LEU A 99 5.348 12.078 32.555 1.00 0.00 ATOM 787 CD2 LEU A 99 5.014 13.911 34.168 1.00 0.00 ATOM 788 O LEU A 99 10.377 14.060 33.496 1.00 0.00 ATOM 789 C LEU A 99 9.462 14.243 34.333 1.00 0.00 ATOM 790 N VAL A 100 9.627 14.099 35.640 1.00 0.00 ATOM 791 CA VAL A 100 10.893 13.710 36.211 1.00 0.00 ATOM 792 CB VAL A 100 11.250 14.575 37.434 1.00 0.00 ATOM 793 CG1 VAL A 100 11.353 16.040 37.038 1.00 0.00 ATOM 794 CG2 VAL A 100 10.184 14.442 38.510 1.00 0.00 ATOM 795 O VAL A 100 9.847 11.571 36.671 1.00 0.00 ATOM 796 C VAL A 100 10.881 12.243 36.677 1.00 0.00 ATOM 797 N GLN A 101 12.049 11.742 37.069 1.00 0.00 ATOM 798 CA GLN A 101 12.171 10.393 37.615 1.00 0.00 ATOM 799 CB GLN A 101 13.587 10.065 38.002 1.00 0.00 ATOM 800 CG GLN A 101 14.752 10.340 37.177 1.00 0.00 ATOM 801 CD GLN A 101 16.033 9.691 37.671 1.00 0.00 ATOM 802 OE1 GLN A 101 16.636 9.053 36.874 1.00 0.00 ATOM 803 NE2 GLN A 101 16.453 9.868 38.943 1.00 0.00 ATOM 804 O GLN A 101 11.223 11.263 39.642 1.00 0.00 ATOM 805 C GLN A 101 11.367 10.289 38.904 1.00 0.00 ATOM 806 N LYS A 102 10.859 9.095 39.178 1.00 0.00 ATOM 807 CA LYS A 102 10.134 8.799 40.412 1.00 0.00 ATOM 808 CB LYS A 102 9.850 7.301 40.524 1.00 0.00 ATOM 809 CG LYS A 102 9.066 6.908 41.765 1.00 0.00 ATOM 810 CD LYS A 102 8.791 5.414 41.795 1.00 0.00 ATOM 811 CE LYS A 102 10.055 4.625 42.097 1.00 0.00 ATOM 812 NZ LYS A 102 9.782 3.166 42.224 1.00 0.00 ATOM 813 O LYS A 102 12.161 9.030 41.659 1.00 0.00 ATOM 814 C LYS A 102 10.939 9.227 41.616 1.00 0.00 ATOM 815 N CYS A 103 10.264 9.809 42.592 1.00 0.00 ATOM 816 CA CYS A 103 10.903 10.193 43.833 1.00 0.00 ATOM 817 CB CYS A 103 11.412 11.633 43.750 1.00 0.00 ATOM 818 SG CYS A 103 10.109 12.877 43.598 1.00 0.00 ATOM 819 O CYS A 103 8.752 9.717 44.774 1.00 0.00 ATOM 820 C CYS A 103 9.914 10.091 44.977 1.00 0.00 ATOM 821 N GLU A 104 10.412 10.336 46.183 1.00 0.00 ATOM 822 CA GLU A 104 9.586 10.462 47.363 1.00 0.00 ATOM 823 CB GLU A 104 10.267 9.808 48.567 1.00 0.00 ATOM 824 CG GLU A 104 10.414 8.300 48.454 1.00 0.00 ATOM 825 CD GLU A 104 11.064 7.684 49.677 1.00 0.00 ATOM 826 OE1 GLU A 104 10.578 7.935 50.799 1.00 0.00 ATOM 827 OE2 GLU A 104 12.062 6.950 49.513 1.00 0.00 ATOM 828 O GLU A 104 10.255 12.762 47.450 1.00 0.00 ATOM 829 C GLU A 104 9.358 11.924 47.663 1.00 0.00 ATOM 830 N VAL A 105 8.154 12.233 48.163 1.00 0.00 ATOM 831 CA VAL A 105 7.818 13.588 48.572 1.00 0.00 ATOM 832 CB VAL A 105 6.470 14.086 48.060 1.00 0.00 ATOM 833 CG1 VAL A 105 6.583 14.184 46.550 1.00 0.00 ATOM 834 CG2 VAL A 105 5.320 13.231 48.528 1.00 0.00 ATOM 835 O VAL A 105 7.926 14.917 50.557 1.00 0.00 ATOM 836 C VAL A 105 7.757 13.785 50.093 1.00 0.00 ATOM 837 N ASN A 106 7.568 12.694 50.844 1.00 0.00 ATOM 838 CA ASN A 106 7.407 12.696 52.291 1.00 0.00 ATOM 839 CB ASN A 106 6.160 11.937 52.689 1.00 0.00 ATOM 840 CG ASN A 106 4.901 12.663 52.241 1.00 0.00 ATOM 841 ND2 ASN A 106 4.097 12.001 51.413 1.00 0.00 ATOM 842 OD1 ASN A 106 4.657 13.802 52.637 1.00 0.00 ATOM 843 O ASN A 106 9.045 10.924 52.239 1.00 0.00 ATOM 844 C ASN A 106 8.514 11.825 52.899 1.00 0.00 ATOM 845 N GLY A 107 8.809 12.054 54.165 1.00 0.00 ATOM 846 CA GLY A 107 9.758 11.222 54.878 1.00 0.00 ATOM 847 O GLY A 107 11.537 12.525 53.908 1.00 0.00 ATOM 848 C GLY A 107 11.223 11.596 54.667 1.00 0.00 ATOM 849 N GLN A 108 12.101 10.851 55.325 1.00 0.00 ATOM 850 CA GLN A 108 13.521 11.189 55.318 1.00 0.00 ATOM 851 CB GLN A 108 14.053 9.964 56.471 1.00 0.00 ATOM 852 CG GLN A 108 14.132 8.704 55.612 1.00 0.00 ATOM 853 CD GLN A 108 14.124 7.432 56.440 1.00 0.00 ATOM 854 OE1 GLN A 108 13.068 6.853 56.698 1.00 0.00 ATOM 855 NE2 GLN A 108 15.304 6.984 56.848 1.00 0.00 ATOM 856 O GLN A 108 15.268 11.537 53.708 1.00 0.00 ATOM 857 C GLN A 108 14.150 11.060 53.930 1.00 0.00 ATOM 858 N ASN A 109 13.463 10.337 53.032 1.00 0.00 ATOM 859 CA ASN A 109 13.986 10.120 51.689 1.00 0.00 ATOM 860 CB ASN A 109 13.559 8.767 51.140 1.00 0.00 ATOM 861 CG ASN A 109 14.305 7.689 51.918 1.00 0.00 ATOM 862 ND2 ASN A 109 13.593 6.619 52.200 1.00 0.00 ATOM 863 OD1 ASN A 109 15.470 7.804 52.281 1.00 0.00 ATOM 864 O ASN A 109 13.704 10.981 49.471 1.00 0.00 ATOM 865 C ASN A 109 13.435 11.110 50.669 1.00 0.00 ATOM 866 N GLU A 110 12.650 12.076 51.129 1.00 0.00 ATOM 867 CA GLU A 110 11.995 13.011 50.238 1.00 0.00 ATOM 868 CB GLU A 110 10.985 13.888 51.023 1.00 0.00 ATOM 869 CG GLU A 110 11.533 14.553 52.267 1.00 0.00 ATOM 870 CD GLU A 110 10.508 15.186 53.189 1.00 0.00 ATOM 871 OE1 GLU A 110 9.830 14.492 53.972 1.00 0.00 ATOM 872 OE2 GLU A 110 10.386 16.434 53.169 1.00 0.00 ATOM 873 O GLU A 110 14.083 14.142 49.847 1.00 0.00 ATOM 874 C GLU A 110 12.998 13.757 49.383 1.00 0.00 ATOM 875 N HIS A 111 12.648 13.962 48.125 1.00 0.00 ATOM 876 CA HIS A 111 13.431 14.840 47.263 1.00 0.00 ATOM 877 CB HIS A 111 12.774 14.963 45.886 1.00 0.00 ATOM 878 CG HIS A 111 13.639 15.627 44.862 1.00 0.00 ATOM 879 CD2 HIS A 111 14.467 15.175 43.751 1.00 0.00 ATOM 880 ND1 HIS A 111 13.813 16.992 44.805 1.00 0.00 ATOM 881 CE1 HIS A 111 14.639 17.287 43.785 1.00 0.00 ATOM 882 NE2 HIS A 111 15.035 16.202 43.149 1.00 0.00 ATOM 883 O HIS A 111 12.506 16.685 48.479 1.00 0.00 ATOM 884 C HIS A 111 13.506 16.215 47.927 1.00 0.00 ATOM 885 N PRO A 112 14.672 16.857 47.937 1.00 0.00 ATOM 886 CA PRO A 112 14.784 18.145 48.627 1.00 0.00 ATOM 887 CB PRO A 112 16.221 18.589 48.350 1.00 0.00 ATOM 888 CG PRO A 112 16.970 17.319 48.136 1.00 0.00 ATOM 889 CD PRO A 112 16.031 16.397 47.409 1.00 0.00 ATOM 890 O PRO A 112 13.418 20.095 48.967 1.00 0.00 ATOM 891 C PRO A 112 13.815 19.239 48.169 1.00 0.00 ATOM 892 N VAL A 113 13.401 19.205 46.906 1.00 0.00 ATOM 893 CA VAL A 113 12.431 20.176 46.404 1.00 0.00 ATOM 894 CB VAL A 113 12.060 19.922 44.937 1.00 0.00 ATOM 895 CG1 VAL A 113 10.901 20.819 44.540 1.00 0.00 ATOM 896 CG2 VAL A 113 13.264 20.186 44.048 1.00 0.00 ATOM 897 O VAL A 113 10.613 21.077 47.696 1.00 0.00 ATOM 898 C VAL A 113 11.163 20.071 47.246 1.00 0.00 ATOM 899 N PHE A 114 10.664 18.849 47.412 1.00 0.00 ATOM 900 CA PHE A 114 9.438 18.647 48.179 1.00 0.00 ATOM 901 CB PHE A 114 8.876 17.244 47.870 1.00 0.00 ATOM 902 CG PHE A 114 8.246 17.177 46.530 1.00 0.00 ATOM 903 CD1 PHE A 114 9.037 17.071 45.377 1.00 0.00 ATOM 904 CD2 PHE A 114 6.870 17.308 46.380 1.00 0.00 ATOM 905 CE1 PHE A 114 8.431 17.007 44.108 1.00 0.00 ATOM 906 CE2 PHE A 114 6.262 17.270 45.136 1.00 0.00 ATOM 907 CZ PHE A 114 7.047 17.146 43.978 1.00 0.00 ATOM 908 O PHE A 114 8.640 19.518 50.241 1.00 0.00 ATOM 909 C PHE A 114 9.549 18.967 49.658 1.00 0.00 ATOM 910 N ALA A 115 10.695 18.644 50.239 1.00 0.00 ATOM 911 CA ALA A 115 10.945 18.939 51.650 1.00 0.00 ATOM 912 CB ALA A 115 12.328 18.491 52.099 1.00 0.00 ATOM 913 O ALA A 115 10.236 21.022 52.717 1.00 0.00 ATOM 914 C ALA A 115 10.834 20.480 51.782 1.00 0.00 ATOM 915 N TYR A 116 11.382 21.184 50.795 1.00 0.00 ATOM 916 CA TYR A 116 11.344 22.647 50.771 1.00 0.00 ATOM 917 CB TYR A 116 12.205 23.186 49.627 1.00 0.00 ATOM 918 CG TYR A 116 13.689 22.973 49.824 1.00 0.00 ATOM 919 CD1 TYR A 116 14.199 22.629 51.069 1.00 0.00 ATOM 920 CD2 TYR A 116 14.575 23.117 48.765 1.00 0.00 ATOM 921 CE1 TYR A 116 15.553 22.431 51.258 1.00 0.00 ATOM 922 CE2 TYR A 116 15.933 22.924 48.936 1.00 0.00 ATOM 923 CZ TYR A 116 16.418 22.578 50.197 1.00 0.00 ATOM 924 OH TYR A 116 17.766 22.382 50.382 1.00 0.00 ATOM 925 O TYR A 116 9.482 24.072 51.321 1.00 0.00 ATOM 926 C TYR A 116 9.929 23.187 50.573 1.00 0.00 ATOM 927 N LEU A 117 9.216 22.667 49.574 1.00 0.00 ATOM 928 CA LEU A 117 7.879 23.139 49.287 1.00 0.00 ATOM 929 CB LEU A 117 7.283 22.388 48.093 1.00 0.00 ATOM 930 CG LEU A 117 7.996 22.668 46.765 1.00 0.00 ATOM 931 CD1 LEU A 117 7.356 21.864 45.646 1.00 0.00 ATOM 932 CD2 LEU A 117 7.934 24.173 46.449 1.00 0.00 ATOM 933 O LEU A 117 6.163 23.771 50.803 1.00 0.00 ATOM 934 C LEU A 117 6.975 22.916 50.480 1.00 0.00 ATOM 935 N LYS A 118 7.066 21.746 51.102 1.00 0.00 ATOM 936 CA LYS A 118 6.242 21.431 52.271 1.00 0.00 ATOM 937 CB LYS A 118 6.556 20.023 52.783 1.00 0.00 ATOM 938 CG LYS A 118 6.052 18.908 51.883 1.00 0.00 ATOM 939 CD LYS A 118 6.279 17.544 52.513 1.00 0.00 ATOM 940 CE LYS A 118 7.747 17.154 52.475 1.00 0.00 ATOM 941 NZ LYS A 118 7.971 15.783 53.010 1.00 0.00 ATOM 942 O LYS A 118 5.526 22.897 54.046 1.00 0.00 ATOM 943 C LYS A 118 6.477 22.425 53.418 1.00 0.00 ATOM 944 N ASP A 119 7.730 22.750 53.700 1.00 0.00 ATOM 945 CA ASP A 119 8.032 23.702 54.758 1.00 0.00 ATOM 946 CB ASP A 119 9.541 23.742 55.002 1.00 0.00 ATOM 947 CG ASP A 119 10.048 22.506 55.721 1.00 0.00 ATOM 948 OD1 ASP A 119 9.213 21.739 56.245 1.00 0.00 ATOM 949 OD2 ASP A 119 11.281 22.304 55.757 1.00 0.00 ATOM 950 O ASP A 119 7.135 25.872 55.269 1.00 0.00 ATOM 951 C ASP A 119 7.584 25.117 54.397 1.00 0.00 ATOM 952 N LYS A 120 7.689 25.478 53.118 1.00 0.00 ATOM 953 CA LYS A 120 7.328 26.831 52.670 1.00 0.00 ATOM 954 CB LYS A 120 7.776 27.054 51.223 1.00 0.00 ATOM 955 CG LYS A 120 7.495 28.450 50.695 1.00 0.00 ATOM 956 CD LYS A 120 8.325 29.494 51.425 1.00 0.00 ATOM 957 CE LYS A 120 8.133 30.874 50.820 1.00 0.00 ATOM 958 NZ LYS A 120 8.933 31.909 51.532 1.00 0.00 ATOM 959 O LYS A 120 5.345 28.168 53.072 1.00 0.00 ATOM 960 C LYS A 120 5.817 27.059 52.733 1.00 0.00 ATOM 961 N LEU A 121 5.055 26.010 52.385 1.00 0.00 ATOM 962 CA LEU A 121 3.606 26.089 52.291 1.00 0.00 ATOM 963 CB LEU A 121 3.105 24.970 51.315 1.00 0.00 ATOM 964 CG LEU A 121 3.426 25.047 49.819 1.00 0.00 ATOM 965 CD1 LEU A 121 2.643 26.177 49.180 1.00 0.00 ATOM 966 CD2 LEU A 121 4.913 25.243 49.621 1.00 0.00 ATOM 967 O LEU A 121 3.555 25.563 54.632 1.00 0.00 ATOM 968 C LEU A 121 3.056 26.213 53.709 1.00 0.00 ATOM 969 N PRO A 122 2.057 27.137 53.926 1.00 0.00 ATOM 970 CA PRO A 122 1.469 27.307 55.261 1.00 0.00 ATOM 971 CB PRO A 122 0.738 28.632 55.135 1.00 0.00 ATOM 972 CG PRO A 122 0.208 28.560 53.729 1.00 0.00 ATOM 973 CD PRO A 122 1.411 28.034 52.950 1.00 0.00 ATOM 974 O PRO A 122 -0.002 25.474 54.767 1.00 0.00 ATOM 975 C PRO A 122 0.643 26.073 55.626 1.00 0.00 ATOM 976 N TYR A 123 0.301 23.731 54.534 1.00 0.00 ATOM 977 CA TYR A 123 -0.959 23.047 54.286 1.00 0.00 ATOM 978 CB TYR A 123 -1.886 23.216 55.486 1.00 0.00 ATOM 979 CG TYR A 123 -1.555 22.359 56.647 1.00 0.00 ATOM 980 CD1 TYR A 123 -2.009 21.038 56.705 1.00 0.00 ATOM 981 CD2 TYR A 123 -0.847 22.876 57.717 1.00 0.00 ATOM 982 CE1 TYR A 123 -1.773 20.249 57.830 1.00 0.00 ATOM 983 CE2 TYR A 123 -0.596 22.094 58.849 1.00 0.00 ATOM 984 CZ TYR A 123 -1.071 20.780 58.894 1.00 0.00 ATOM 985 OH TYR A 123 -0.863 20.026 60.014 1.00 0.00 ATOM 986 O TYR A 123 -1.506 24.893 52.862 1.00 0.00 ATOM 987 C TYR A 123 -1.670 23.696 53.107 1.00 0.00 ATOM 988 N PRO A 124 -2.382 22.883 52.317 1.00 0.00 ATOM 989 CA PRO A 124 -3.137 23.458 51.204 1.00 0.00 ATOM 990 CB PRO A 124 -3.931 22.275 50.645 1.00 0.00 ATOM 991 CG PRO A 124 -3.118 21.077 51.004 1.00 0.00 ATOM 992 CD PRO A 124 -2.552 21.351 52.369 1.00 0.00 ATOM 993 O PRO A 124 -4.683 24.484 52.713 1.00 0.00 ATOM 994 C PRO A 124 -4.061 24.569 51.653 1.00 0.00 ATOM 995 N TYR A 125 -4.145 25.622 50.844 1.00 0.00 ATOM 996 CA TYR A 125 -4.954 26.768 51.138 1.00 0.00 ATOM 997 CB TYR A 125 -4.795 27.830 50.048 1.00 0.00 ATOM 998 CG TYR A 125 -5.585 29.093 50.302 1.00 0.00 ATOM 999 CD1 TYR A 125 -5.160 30.022 51.245 1.00 0.00 ATOM 1000 CD2 TYR A 125 -6.756 29.353 49.600 1.00 0.00 ATOM 1001 CE1 TYR A 125 -5.877 31.179 51.483 1.00 0.00 ATOM 1002 CE2 TYR A 125 -7.485 30.506 49.825 1.00 0.00 ATOM 1003 CZ TYR A 125 -7.035 31.420 50.777 1.00 0.00 ATOM 1004 OH TYR A 125 -7.751 32.571 51.014 1.00 0.00 ATOM 1005 O TYR A 125 -7.154 27.101 51.984 1.00 0.00 ATOM 1006 C TYR A 125 -6.423 26.443 51.231 1.00 0.00 ATOM 1007 N ASP A 126 -6.862 25.426 50.488 1.00 0.00 ATOM 1008 CA ASP A 126 -8.282 25.031 50.430 1.00 0.00 ATOM 1009 CB ASP A 126 -8.564 25.085 48.796 1.00 0.00 ATOM 1010 CG ASP A 126 -10.033 25.290 48.412 1.00 0.00 ATOM 1011 OD1 ASP A 126 -10.776 25.957 49.161 1.00 0.00 ATOM 1012 OD2 ASP A 126 -10.443 24.802 47.335 1.00 0.00 ATOM 1013 O ASP A 126 -9.872 23.663 51.546 1.00 0.00 ATOM 1014 C ASP A 126 -8.695 23.928 51.390 1.00 0.00 ATOM 1015 N ASP A 127 -7.634 23.268 52.124 1.00 0.00 ATOM 1016 CA ASP A 127 -7.926 22.171 53.068 1.00 0.00 ATOM 1017 CB ASP A 127 -8.147 20.860 52.314 1.00 0.00 ATOM 1018 CG ASP A 127 -8.605 19.734 53.221 1.00 0.00 ATOM 1019 OD1 ASP A 127 -8.614 19.934 54.454 1.00 0.00 ATOM 1020 OD2 ASP A 127 -8.953 18.655 52.699 1.00 0.00 ATOM 1021 O ASP A 127 -5.729 21.397 53.687 1.00 0.00 ATOM 1022 C ASP A 127 -6.733 22.036 54.000 1.00 0.00 ATOM 1023 N PRO A 128 -6.832 22.709 55.124 1.00 0.00 ATOM 1024 CA PRO A 128 -5.775 22.743 56.110 1.00 0.00 ATOM 1025 CB PRO A 128 -6.095 23.977 56.955 1.00 0.00 ATOM 1026 CG PRO A 128 -7.581 24.102 56.885 1.00 0.00 ATOM 1027 CD PRO A 128 -7.971 23.661 55.503 1.00 0.00 ATOM 1028 O PRO A 128 -4.770 21.347 57.738 1.00 0.00 ATOM 1029 C PRO A 128 -5.719 21.497 56.967 1.00 0.00 ATOM 1030 N PHE A 129 -6.722 20.612 56.864 1.00 0.00 ATOM 1031 CA PHE A 129 -6.858 19.558 57.869 1.00 0.00 ATOM 1032 CB PHE A 129 -8.264 19.590 58.473 1.00 0.00 ATOM 1033 CG PHE A 129 -8.588 20.874 59.183 1.00 0.00 ATOM 1034 CD1 PHE A 129 -9.370 21.840 58.576 1.00 0.00 ATOM 1035 CD2 PHE A 129 -8.110 21.114 60.460 1.00 0.00 ATOM 1036 CE1 PHE A 129 -9.670 23.019 59.230 1.00 0.00 ATOM 1037 CE2 PHE A 129 -8.408 22.295 61.113 1.00 0.00 ATOM 1038 CZ PHE A 129 -9.184 23.246 60.504 1.00 0.00 ATOM 1039 O PHE A 129 -6.012 17.321 58.041 1.00 0.00 ATOM 1040 C PHE A 129 -6.651 18.123 57.359 1.00 0.00 ATOM 1041 N SER A 130 -7.154 17.767 56.175 1.00 0.00 ATOM 1042 CA SER A 130 -7.082 16.373 55.755 1.00 0.00 ATOM 1043 CB SER A 130 -7.958 16.141 54.522 1.00 0.00 ATOM 1044 OG SER A 130 -7.851 14.803 54.064 1.00 0.00 ATOM 1045 O SER A 130 -5.042 16.578 54.584 1.00 0.00 ATOM 1046 C SER A 130 -5.696 15.925 55.374 1.00 0.00 ATOM 1047 N LEU A 131 -5.271 14.768 55.892 1.00 0.00 ATOM 1048 CA LEU A 131 -3.995 14.179 55.494 1.00 0.00 ATOM 1049 CB LEU A 131 -3.120 13.946 56.728 1.00 0.00 ATOM 1050 CG LEU A 131 -2.702 15.194 57.509 1.00 0.00 ATOM 1051 CD1 LEU A 131 -1.916 14.812 58.753 1.00 0.00 ATOM 1052 CD2 LEU A 131 -1.828 16.096 56.652 1.00 0.00 ATOM 1053 O LEU A 131 -3.662 12.635 53.674 1.00 0.00 ATOM 1054 C LEU A 131 -4.168 12.832 54.783 1.00 0.00 ATOM 1055 N MET A 132 -4.991 11.819 55.349 1.00 0.00 ATOM 1056 CA MET A 132 -5.171 10.501 54.764 1.00 0.00 ATOM 1057 CB MET A 132 -3.750 9.868 54.554 1.00 0.00 ATOM 1058 CG MET A 132 -2.929 10.468 53.370 1.00 0.00 ATOM 1059 SD MET A 132 -1.379 9.641 53.159 1.00 0.00 ATOM 1060 CE MET A 132 -1.833 8.288 52.156 1.00 0.00 ATOM 1061 O MET A 132 -6.544 9.899 56.607 1.00 0.00 ATOM 1062 C MET A 132 -6.393 9.888 55.373 1.00 0.00 ATOM 1063 N THR A 133 -7.308 9.339 54.572 1.00 0.00 ATOM 1064 CA THR A 133 -8.464 8.677 55.155 1.00 0.00 ATOM 1065 CB THR A 133 -9.572 8.451 54.110 1.00 0.00 ATOM 1066 CG2 THR A 133 -10.770 7.758 54.743 1.00 0.00 ATOM 1067 OG1 THR A 133 -9.995 9.712 53.576 1.00 0.00 ATOM 1068 O THR A 133 -8.461 6.959 56.879 1.00 0.00 ATOM 1069 C THR A 133 -8.109 7.310 55.736 1.00 0.00 ATOM 1070 N ASP A 134 -7.411 6.517 54.924 1.00 0.00 ATOM 1071 CA ASP A 134 -6.971 5.169 55.325 1.00 0.00 ATOM 1072 CB ASP A 134 -7.010 4.215 54.129 1.00 0.00 ATOM 1073 CG ASP A 134 -6.598 2.802 54.497 1.00 0.00 ATOM 1074 OD1 ASP A 134 -6.204 2.583 55.663 1.00 0.00 ATOM 1075 OD2 ASP A 134 -6.671 1.915 53.621 1.00 0.00 ATOM 1076 O ASP A 134 -4.596 5.466 55.102 1.00 0.00 ATOM 1077 C ASP A 134 -5.536 5.219 55.865 1.00 0.00 ATOM 1078 N PRO A 135 -5.364 5.014 57.198 1.00 0.00 ATOM 1079 CA PRO A 135 -4.026 5.175 57.768 1.00 0.00 ATOM 1080 CB PRO A 135 -4.234 4.949 59.267 1.00 0.00 ATOM 1081 CG PRO A 135 -5.473 4.123 59.354 1.00 0.00 ATOM 1082 CD PRO A 135 -6.362 4.590 58.236 1.00 0.00 ATOM 1083 O PRO A 135 -1.829 4.426 57.300 1.00 0.00 ATOM 1084 C PRO A 135 -3.038 4.157 57.194 1.00 0.00 ATOM 1085 N LYS A 136 -3.498 3.043 56.637 1.00 0.00 ATOM 1086 CA LYS A 136 -2.556 2.061 56.079 1.00 0.00 ATOM 1087 CB LYS A 136 -3.313 0.798 55.661 1.00 0.00 ATOM 1088 CG LYS A 136 -3.884 0.003 56.824 1.00 0.00 ATOM 1089 CD LYS A 136 -4.648 -1.217 56.337 1.00 0.00 ATOM 1090 CE LYS A 136 -5.190 -2.031 57.501 1.00 0.00 ATOM 1091 NZ LYS A 136 -5.952 -3.222 57.038 1.00 0.00 ATOM 1092 O LYS A 136 -0.822 1.993 54.451 1.00 0.00 ATOM 1093 C LYS A 136 -1.830 2.590 54.859 1.00 0.00 ATOM 1094 N LEU A 137 -2.320 3.675 54.275 1.00 0.00 ATOM 1095 CA LEU A 137 -1.667 4.292 53.126 1.00 0.00 ATOM 1096 CB LEU A 137 -2.679 5.081 52.294 1.00 0.00 ATOM 1097 CG LEU A 137 -3.799 4.268 51.639 1.00 0.00 ATOM 1098 CD1 LEU A 137 -4.789 5.185 50.937 1.00 0.00 ATOM 1099 CD2 LEU A 137 -3.231 3.306 50.608 1.00 0.00 ATOM 1100 O LEU A 137 0.424 5.365 52.683 1.00 0.00 ATOM 1101 C LEU A 137 -0.442 5.098 53.516 1.00 0.00 ATOM 1102 N ILE A 138 -0.368 5.547 54.801 1.00 0.00 ATOM 1103 CA ILE A 138 0.780 6.310 55.277 1.00 0.00 ATOM 1104 CB ILE A 138 0.443 7.131 56.535 1.00 0.00 ATOM 1105 CG1 ILE A 138 -0.722 8.083 56.254 1.00 0.00 ATOM 1106 CG2 ILE A 138 1.644 7.953 56.973 1.00 0.00 ATOM 1107 CD1 ILE A 138 -1.243 8.790 57.486 1.00 0.00 ATOM 1108 O ILE A 138 1.891 4.661 56.620 1.00 0.00 ATOM 1109 C ILE A 138 1.900 5.333 55.595 1.00 0.00 ATOM 1110 N ILE A 139 2.862 5.212 54.681 1.00 0.00 ATOM 1111 CA ILE A 139 3.905 4.206 54.780 1.00 0.00 ATOM 1112 CB ILE A 139 3.840 3.208 53.609 1.00 0.00 ATOM 1113 CG1 ILE A 139 4.044 3.935 52.278 1.00 0.00 ATOM 1114 CG2 ILE A 139 2.488 2.512 53.576 1.00 0.00 ATOM 1115 CD1 ILE A 139 4.274 3.007 51.104 1.00 0.00 ATOM 1116 O ILE A 139 6.294 3.998 54.815 1.00 0.00 ATOM 1117 C ILE A 139 5.337 4.764 54.770 1.00 0.00 ATOM 1118 N TRP A 140 5.473 6.084 54.757 1.00 0.00 ATOM 1119 CA TRP A 140 6.792 6.724 54.770 1.00 0.00 ATOM 1120 CB TRP A 140 6.787 7.981 53.899 1.00 0.00 ATOM 1121 CG TRP A 140 5.712 8.958 54.263 1.00 0.00 ATOM 1122 CD1 TRP A 140 5.820 10.015 55.120 1.00 0.00 ATOM 1123 CD2 TRP A 140 4.362 8.969 53.779 1.00 0.00 ATOM 1124 CE2 TRP A 140 3.712 10.062 54.386 1.00 0.00 ATOM 1125 CE3 TRP A 140 3.641 8.163 52.894 1.00 0.00 ATOM 1126 NE1 TRP A 140 4.624 10.685 55.200 1.00 0.00 ATOM 1127 CZ2 TRP A 140 2.374 10.367 54.135 1.00 0.00 ATOM 1128 CZ3 TRP A 140 2.317 8.470 52.648 1.00 0.00 ATOM 1129 CH2 TRP A 140 1.696 9.561 53.265 1.00 0.00 ATOM 1130 O TRP A 140 6.315 7.028 57.098 1.00 0.00 ATOM 1131 C TRP A 140 7.145 7.105 56.181 1.00 0.00 ATOM 1132 N SER A 141 8.389 7.521 56.373 1.00 0.00 ATOM 1133 CA SER A 141 8.891 7.847 57.702 1.00 0.00 ATOM 1134 CB SER A 141 9.455 6.599 58.382 1.00 0.00 ATOM 1135 OG SER A 141 9.973 6.907 59.665 1.00 0.00 ATOM 1136 O SER A 141 10.858 8.804 56.757 1.00 0.00 ATOM 1137 C SER A 141 9.980 8.896 57.629 1.00 0.00 ATOM 1138 N PRO A 142 9.957 9.884 58.535 1.00 0.00 ATOM 1139 CA PRO A 142 8.914 10.154 59.525 1.00 0.00 ATOM 1140 CB PRO A 142 9.574 11.113 60.519 1.00 0.00 ATOM 1141 CG PRO A 142 10.614 11.823 59.718 1.00 0.00 ATOM 1142 CD PRO A 142 11.147 10.814 58.740 1.00 0.00 ATOM 1143 O PRO A 142 7.815 11.164 57.661 1.00 0.00 ATOM 1144 C PRO A 142 7.730 10.783 58.847 1.00 0.00 ATOM 1145 N VAL A 143 6.621 10.847 59.585 1.00 0.00 ATOM 1146 CA VAL A 143 5.387 11.479 59.135 1.00 0.00 ATOM 1147 CB VAL A 143 4.150 10.659 59.545 1.00 0.00 ATOM 1148 CG1 VAL A 143 2.875 11.368 59.115 1.00 0.00 ATOM 1149 CG2 VAL A 143 4.180 9.286 58.893 1.00 0.00 ATOM 1150 O VAL A 143 5.582 13.094 60.899 1.00 0.00 ATOM 1151 C VAL A 143 5.317 12.891 59.708 1.00 0.00 ATOM 1152 N ARG A 144 4.985 13.875 58.857 1.00 0.00 ATOM 1153 CA ARG A 144 4.915 15.247 59.340 1.00 0.00 ATOM 1154 CB ARG A 144 6.001 16.058 58.632 1.00 0.00 ATOM 1155 CG ARG A 144 7.419 15.650 58.998 1.00 0.00 ATOM 1156 CD ARG A 144 8.445 16.453 58.217 1.00 0.00 ATOM 1157 NE ARG A 144 9.814 16.086 58.572 1.00 0.00 ATOM 1158 CZ ARG A 144 10.897 16.615 58.014 1.00 0.00 ATOM 1159 NH1 ARG A 144 12.103 16.219 58.401 1.00 0.00 ATOM 1160 NH2 ARG A 144 10.774 17.537 57.068 1.00 0.00 ATOM 1161 O ARG A 144 2.901 15.438 58.040 1.00 0.00 ATOM 1162 C ARG A 144 3.574 15.852 58.991 1.00 0.00 ATOM 1163 N ARG A 145 3.210 16.870 59.756 1.00 0.00 ATOM 1164 CA ARG A 145 1.933 17.529 59.561 1.00 0.00 ATOM 1165 CB ARG A 145 1.587 18.346 60.876 1.00 0.00 ATOM 1166 CG ARG A 145 1.297 17.458 62.069 1.00 0.00 ATOM 1167 CD ARG A 145 0.645 18.212 63.204 1.00 0.00 ATOM 1168 NE ARG A 145 1.486 19.276 63.745 1.00 0.00 ATOM 1169 CZ ARG A 145 2.397 19.092 64.698 1.00 0.00 ATOM 1170 NH1 ARG A 145 2.598 17.876 65.208 1.00 0.00 ATOM 1171 NH2 ARG A 145 3.111 20.122 65.137 1.00 0.00 ATOM 1172 O ARG A 145 0.779 18.300 57.611 1.00 0.00 ATOM 1173 C ARG A 145 1.854 18.227 58.208 1.00 0.00 ATOM 1174 N SER A 146 3.050 18.691 57.654 1.00 0.00 ATOM 1175 CA SER A 146 3.044 19.414 56.385 1.00 0.00 ATOM 1176 CB SER A 146 4.196 20.420 56.415 1.00 0.00 ATOM 1177 OG SER A 146 5.443 19.764 56.563 1.00 0.00 ATOM 1178 O SER A 146 3.486 18.975 54.091 1.00 0.00 ATOM 1179 C SER A 146 3.276 18.491 55.200 1.00 0.00 ATOM 1180 N ASP A 147 3.171 17.177 55.420 1.00 0.00 ATOM 1181 CA ASP A 147 3.447 16.215 54.374 1.00 0.00 ATOM 1182 CB ASP A 147 3.295 14.788 54.906 1.00 0.00 ATOM 1183 CG ASP A 147 4.429 14.386 55.828 1.00 0.00 ATOM 1184 OD1 ASP A 147 5.423 15.138 55.910 1.00 0.00 ATOM 1185 OD2 ASP A 147 4.323 13.319 56.470 1.00 0.00 ATOM 1186 O ASP A 147 1.352 16.695 53.282 1.00 0.00 ATOM 1187 C ASP A 147 2.513 16.317 53.168 1.00 0.00 ATOM 1188 N VAL A 148 3.030 16.020 51.990 1.00 0.00 ATOM 1189 CA VAL A 148 2.230 15.933 50.793 1.00 0.00 ATOM 1190 CB VAL A 148 3.105 15.728 49.542 1.00 0.00 ATOM 1191 CG1 VAL A 148 2.236 15.539 48.308 1.00 0.00 ATOM 1192 CG2 VAL A 148 4.004 16.934 49.317 1.00 0.00 ATOM 1193 O VAL A 148 1.730 13.667 51.459 1.00 0.00 ATOM 1194 C VAL A 148 1.288 14.730 50.990 1.00 0.00 ATOM 1195 N ALA A 149 0.004 14.898 50.687 1.00 0.00 ATOM 1196 CA ALA A 149 -1.017 13.918 51.043 1.00 0.00 ATOM 1197 CB ALA A 149 -2.357 14.605 51.261 1.00 0.00 ATOM 1198 O ALA A 149 -1.718 11.773 50.313 1.00 0.00 ATOM 1199 C ALA A 149 -1.236 12.859 49.992 1.00 0.00 ATOM 1200 N TRP A 150 -0.905 13.181 48.680 1.00 0.00 ATOM 1201 CA TRP A 150 -1.158 12.238 47.591 1.00 0.00 ATOM 1202 CB TRP A 150 -2.658 12.199 47.242 1.00 0.00 ATOM 1203 CG TRP A 150 -3.409 11.513 48.350 1.00 0.00 ATOM 1204 CD1 TRP A 150 -3.925 12.068 49.496 1.00 0.00 ATOM 1205 CD2 TRP A 150 -3.714 10.114 48.380 1.00 0.00 ATOM 1206 CE2 TRP A 150 -4.423 9.895 49.587 1.00 0.00 ATOM 1207 CE3 TRP A 150 -3.479 9.021 47.527 1.00 0.00 ATOM 1208 NE1 TRP A 150 -4.539 11.096 50.248 1.00 0.00 ATOM 1209 CZ2 TRP A 150 -4.874 8.629 49.930 1.00 0.00 ATOM 1210 CZ3 TRP A 150 -3.932 7.766 47.894 1.00 0.00 ATOM 1211 CH2 TRP A 150 -4.630 7.581 49.100 1.00 0.00 ATOM 1212 O TRP A 150 -0.301 14.017 46.231 1.00 0.00 ATOM 1213 C TRP A 150 -0.565 12.820 46.323 1.00 0.00 ATOM 1214 N ASN A 151 -0.525 11.970 45.278 1.00 0.00 ATOM 1215 CA ASN A 151 -0.046 12.379 43.969 1.00 0.00 ATOM 1216 CB ASN A 151 -0.041 11.130 42.993 1.00 0.00 ATOM 1217 CG ASN A 151 0.430 9.826 43.611 1.00 0.00 ATOM 1218 ND2 ASN A 151 1.692 9.794 44.025 1.00 0.00 ATOM 1219 OD1 ASN A 151 -0.338 8.869 43.740 1.00 0.00 ATOM 1220 O ASN A 151 -0.733 13.680 42.083 1.00 0.00 ATOM 1221 C ASN A 151 -1.042 13.265 43.212 1.00 0.00 ATOM 1222 N PHE A 152 -2.199 13.582 43.771 1.00 0.00 ATOM 1223 CA PHE A 152 -3.214 14.366 43.090 1.00 0.00 ATOM 1224 CB PHE A 152 -4.472 13.519 42.854 1.00 0.00 ATOM 1225 CG PHE A 152 -5.104 12.942 44.116 1.00 0.00 ATOM 1226 CD1 PHE A 152 -6.063 13.691 44.793 1.00 0.00 ATOM 1227 CD2 PHE A 152 -4.779 11.709 44.649 1.00 0.00 ATOM 1228 CE1 PHE A 152 -6.669 13.236 45.943 1.00 0.00 ATOM 1229 CE2 PHE A 152 -5.392 11.242 45.810 1.00 0.00 ATOM 1230 CZ PHE A 152 -6.324 12.007 46.461 1.00 0.00 ATOM 1231 O PHE A 152 -4.191 16.552 42.890 1.00 0.00 ATOM 1232 C PHE A 152 -3.447 15.798 43.558 1.00 0.00 ATOM 1233 N GLU A 153 -2.796 16.225 44.651 1.00 0.00 ATOM 1234 CA GLU A 153 -2.766 17.636 45.010 1.00 0.00 ATOM 1235 CB GLU A 153 -2.276 17.810 46.419 1.00 0.00 ATOM 1236 CG GLU A 153 -3.052 17.036 47.461 1.00 0.00 ATOM 1237 CD GLU A 153 -2.509 17.150 48.883 1.00 0.00 ATOM 1238 OE1 GLU A 153 -1.301 17.314 49.083 1.00 0.00 ATOM 1239 OE2 GLU A 153 -3.330 17.068 49.835 1.00 0.00 ATOM 1240 O GLU A 153 -1.155 17.981 43.217 1.00 0.00 ATOM 1241 C GLU A 153 -1.786 18.481 44.160 1.00 0.00 ATOM 1242 N LYS A 154 -1.299 20.390 44.388 1.00 0.00 ATOM 1243 CA LYS A 154 -0.457 21.286 43.609 1.00 0.00 ATOM 1244 CB LYS A 154 -1.284 21.831 42.408 1.00 0.00 ATOM 1245 CG LYS A 154 -1.727 20.805 41.379 1.00 0.00 ATOM 1246 CD LYS A 154 -2.571 21.462 40.302 1.00 0.00 ATOM 1247 CE LYS A 154 -3.953 21.812 40.825 1.00 0.00 ATOM 1248 NZ LYS A 154 -4.715 22.558 39.796 1.00 0.00 ATOM 1249 O LYS A 154 -0.226 22.931 45.333 1.00 0.00 ATOM 1250 C LYS A 154 0.244 22.447 44.309 1.00 0.00 ATOM 1251 N PHE A 155 1.393 22.834 43.759 1.00 0.00 ATOM 1252 CA PHE A 155 2.146 23.975 44.231 1.00 0.00 ATOM 1253 CB PHE A 155 3.504 23.532 44.776 1.00 0.00 ATOM 1254 CG PHE A 155 3.413 22.650 45.989 1.00 0.00 ATOM 1255 CD1 PHE A 155 3.358 21.274 45.859 1.00 0.00 ATOM 1256 CD2 PHE A 155 3.382 23.198 47.259 1.00 0.00 ATOM 1257 CE1 PHE A 155 3.273 20.462 46.974 1.00 0.00 ATOM 1258 CE2 PHE A 155 3.298 22.385 48.375 1.00 0.00 ATOM 1259 CZ PHE A 155 3.244 21.024 48.236 1.00 0.00 ATOM 1260 O PHE A 155 2.932 24.583 42.046 1.00 0.00 ATOM 1261 C PHE A 155 2.364 24.946 43.072 1.00 0.00 ATOM 1262 N LEU A 156 1.926 26.187 43.254 1.00 0.00 ATOM 1263 CA LEU A 156 2.053 27.250 42.264 1.00 0.00 ATOM 1264 CB LEU A 156 0.784 28.103 42.226 1.00 0.00 ATOM 1265 CG LEU A 156 0.790 29.284 41.253 1.00 0.00 ATOM 1266 CD1 LEU A 156 0.826 28.797 39.814 1.00 0.00 ATOM 1267 CD2 LEU A 156 -0.459 30.136 41.436 1.00 0.00 ATOM 1268 O LEU A 156 3.313 28.590 43.816 1.00 0.00 ATOM 1269 C LEU A 156 3.244 28.103 42.672 1.00 0.00 ATOM 1270 N ILE A 157 4.183 28.255 41.744 1.00 0.00 ATOM 1271 CA ILE A 157 5.444 28.945 41.998 1.00 0.00 ATOM 1272 CB ILE A 157 6.649 28.005 41.811 1.00 0.00 ATOM 1273 CG1 ILE A 157 6.568 26.833 42.791 1.00 0.00 ATOM 1274 CG2 ILE A 157 7.950 28.752 42.059 1.00 0.00 ATOM 1275 CD1 ILE A 157 7.585 25.745 42.527 1.00 0.00 ATOM 1276 O ILE A 157 5.264 29.965 39.819 1.00 0.00 ATOM 1277 C ILE A 157 5.546 30.110 41.020 1.00 0.00 ATOM 1278 N GLY A 158 5.962 31.266 41.526 1.00 0.00 ATOM 1279 CA GLY A 158 6.094 32.443 40.674 1.00 0.00 ATOM 1280 O GLY A 158 8.213 31.566 39.944 1.00 0.00 ATOM 1281 C GLY A 158 7.341 32.429 39.801 1.00 0.00 ATOM 1282 N PRO A 159 7.453 33.425 38.897 1.00 0.00 ATOM 1283 CA PRO A 159 8.537 33.510 37.929 1.00 0.00 ATOM 1284 CB PRO A 159 8.078 34.594 36.952 1.00 0.00 ATOM 1285 CG PRO A 159 7.189 35.475 37.764 1.00 0.00 ATOM 1286 CD PRO A 159 6.481 34.575 38.735 1.00 0.00 ATOM 1287 O PRO A 159 10.955 33.456 37.975 1.00 0.00 ATOM 1288 C PRO A 159 9.896 33.753 38.562 1.00 0.00 ATOM 1289 N GLU A 160 9.895 34.175 39.882 1.00 0.00 ATOM 1290 CA GLU A 160 11.141 34.356 40.626 1.00 0.00 ATOM 1291 CB GLU A 160 10.981 35.542 41.578 1.00 0.00 ATOM 1292 CG GLU A 160 10.854 36.886 40.879 1.00 0.00 ATOM 1293 CD GLU A 160 10.666 38.033 41.852 1.00 0.00 ATOM 1294 OE1 GLU A 160 10.711 37.787 43.076 1.00 0.00 ATOM 1295 OE2 GLU A 160 10.471 39.177 41.391 1.00 0.00 ATOM 1296 O GLU A 160 12.491 33.176 42.208 1.00 0.00 ATOM 1297 C GLU A 160 11.502 33.130 41.450 1.00 0.00 ATOM 1298 N GLY A 161 10.740 32.020 41.365 1.00 0.00 ATOM 1299 CA GLY A 161 11.061 30.798 42.077 1.00 0.00 ATOM 1300 O GLY A 161 10.596 29.716 44.159 1.00 0.00 ATOM 1301 C GLY A 161 10.431 30.711 43.449 1.00 0.00 ATOM 1302 N GLU A 162 9.706 31.769 43.870 1.00 0.00 ATOM 1303 CA GLU A 162 9.064 31.778 45.175 1.00 0.00 ATOM 1304 CB GLU A 162 8.763 33.222 45.582 1.00 0.00 ATOM 1305 CG GLU A 162 8.175 33.364 46.977 1.00 0.00 ATOM 1306 CD GLU A 162 7.913 34.808 47.355 1.00 0.00 ATOM 1307 OE1 GLU A 162 8.186 35.699 46.524 1.00 0.00 ATOM 1308 OE2 GLU A 162 7.434 35.049 48.484 1.00 0.00 ATOM 1309 O GLU A 162 6.885 31.247 44.311 1.00 0.00 ATOM 1310 C GLU A 162 7.748 30.988 45.150 1.00 0.00 ATOM 1311 N PRO A 163 7.592 30.005 46.053 1.00 0.00 ATOM 1312 CA PRO A 163 6.296 29.324 46.133 1.00 0.00 ATOM 1313 CB PRO A 163 6.521 28.221 47.168 1.00 0.00 ATOM 1314 CG PRO A 163 7.678 28.701 47.980 1.00 0.00 ATOM 1315 CD PRO A 163 8.555 29.475 47.037 1.00 0.00 ATOM 1316 O PRO A 163 5.394 30.997 47.557 1.00 0.00 ATOM 1317 C PRO A 163 5.214 30.276 46.569 1.00 0.00 ATOM 1318 N PHE A 164 4.106 30.309 45.824 1.00 0.00 ATOM 1319 CA PHE A 164 3.040 31.263 46.091 1.00 0.00 ATOM 1320 CB PHE A 164 2.570 31.919 44.791 1.00 0.00 ATOM 1321 CG PHE A 164 1.430 32.881 44.975 1.00 0.00 ATOM 1322 CD1 PHE A 164 1.648 34.143 45.497 1.00 0.00 ATOM 1323 CD2 PHE A 164 0.141 32.521 44.625 1.00 0.00 ATOM 1324 CE1 PHE A 164 0.600 35.028 45.666 1.00 0.00 ATOM 1325 CE2 PHE A 164 -0.909 33.406 44.794 1.00 0.00 ATOM 1326 CZ PHE A 164 -0.683 34.654 45.312 1.00 0.00 ATOM 1327 O PHE A 164 1.269 31.261 47.664 1.00 0.00 ATOM 1328 C PHE A 164 1.808 30.655 46.748 1.00 0.00 ATOM 1329 N ARG A 165 1.370 29.469 46.312 1.00 0.00 ATOM 1330 CA ARG A 165 0.138 28.905 46.823 1.00 0.00 ATOM 1331 CB ARG A 165 -1.055 29.465 46.046 1.00 0.00 ATOM 1332 CG ARG A 165 -2.407 29.119 46.650 1.00 0.00 ATOM 1333 CD ARG A 165 -2.675 29.932 47.906 1.00 0.00 ATOM 1334 NE ARG A 165 -2.754 31.363 47.624 1.00 0.00 ATOM 1335 CZ ARG A 165 -2.762 32.308 48.557 1.00 0.00 ATOM 1336 NH1 ARG A 165 -2.836 33.586 48.208 1.00 0.00 ATOM 1337 NH2 ARG A 165 -2.697 31.975 49.840 1.00 0.00 ATOM 1338 O ARG A 165 0.522 26.858 45.664 1.00 0.00 ATOM 1339 C ARG A 165 0.086 27.401 46.674 1.00 0.00 ATOM 1340 N ARG A 166 -0.490 26.747 47.667 1.00 0.00 ATOM 1341 CA ARG A 166 -0.618 25.291 47.661 1.00 0.00 ATOM 1342 CB ARG A 166 -0.014 24.707 48.939 1.00 0.00 ATOM 1343 CG ARG A 166 -0.155 23.198 49.059 1.00 0.00 ATOM 1344 CD ARG A 166 0.552 22.675 50.299 1.00 0.00 ATOM 1345 NE ARG A 166 0.391 21.229 50.451 1.00 0.00 ATOM 1346 CZ ARG A 166 0.985 20.508 51.395 1.00 0.00 ATOM 1347 NH1 ARG A 166 0.778 19.199 51.458 1.00 0.00 ATOM 1348 NH2 ARG A 166 1.782 21.096 52.277 1.00 0.00 ATOM 1349 O ARG A 166 -2.900 25.640 48.230 1.00 0.00 ATOM 1350 C ARG A 166 -2.093 24.953 47.609 1.00 0.00 ATOM 1351 N TYR A 167 -2.435 23.891 46.897 1.00 0.00 ATOM 1352 CA TYR A 167 -3.837 23.464 46.751 1.00 0.00 ATOM 1353 CB TYR A 167 -4.329 23.702 45.298 1.00 0.00 ATOM 1354 CG TYR A 167 -4.149 25.117 44.889 1.00 0.00 ATOM 1355 CD1 TYR A 167 -5.132 26.064 45.146 1.00 0.00 ATOM 1356 CD2 TYR A 167 -2.963 25.539 44.320 1.00 0.00 ATOM 1357 CE1 TYR A 167 -4.942 27.383 44.825 1.00 0.00 ATOM 1358 CE2 TYR A 167 -2.760 26.859 43.999 1.00 0.00 ATOM 1359 CZ TYR A 167 -3.763 27.779 44.237 1.00 0.00 ATOM 1360 OH TYR A 167 -3.607 29.123 43.956 1.00 0.00 ATOM 1361 O TYR A 167 -3.067 21.205 46.759 1.00 0.00 ATOM 1362 C TYR A 167 -3.951 21.995 47.078 1.00 0.00 ATOM 1363 N SER A 168 -5.076 21.635 47.674 1.00 0.00 ATOM 1364 CA SER A 168 -5.275 20.292 48.175 1.00 0.00 ATOM 1365 CB SER A 168 -6.488 20.276 49.133 1.00 0.00 ATOM 1366 OG SER A 168 -7.691 20.255 48.381 1.00 0.00 ATOM 1367 O SER A 168 -5.799 19.613 45.915 1.00 0.00 ATOM 1368 C SER A 168 -5.547 19.288 47.090 1.00 0.00 ATOM 1369 N ARG A 169 -5.510 18.027 47.503 1.00 0.00 ATOM 1370 CA ARG A 169 -5.850 16.917 46.629 1.00 0.00 ATOM 1371 CB ARG A 169 -5.863 15.602 47.413 1.00 0.00 ATOM 1372 CG ARG A 169 -6.887 15.560 48.537 1.00 0.00 ATOM 1373 CD ARG A 169 -6.778 14.269 49.333 1.00 0.00 ATOM 1374 NE ARG A 169 -7.809 14.175 50.364 1.00 0.00 ATOM 1375 CZ ARG A 169 -7.948 13.141 51.189 1.00 0.00 ATOM 1376 NH1 ARG A 169 -8.916 13.143 52.095 1.00 0.00 ATOM 1377 NH2 ARG A 169 -7.118 12.111 51.106 1.00 0.00 ATOM 1378 O ARG A 169 -7.440 16.416 44.912 1.00 0.00 ATOM 1379 C ARG A 169 -7.219 17.020 45.956 1.00 0.00 ATOM 1380 N THR A 170 -8.136 17.755 46.577 1.00 0.00 ATOM 1381 CA THR A 170 -9.508 17.877 46.066 1.00 0.00 ATOM 1382 CB THR A 170 -10.534 18.136 47.178 1.00 0.00 ATOM 1383 CG2 THR A 170 -10.611 16.933 48.139 1.00 0.00 ATOM 1384 OG1 THR A 170 -10.203 19.356 47.865 1.00 0.00 ATOM 1385 O THR A 170 -10.692 19.136 44.435 1.00 0.00 ATOM 1386 C THR A 170 -9.704 19.077 45.152 1.00 0.00 ATOM 1387 N PHE A 171 -8.780 20.017 45.201 1.00 0.00 ATOM 1388 CA PHE A 171 -8.897 21.267 44.425 1.00 0.00 ATOM 1389 CB PHE A 171 -8.006 22.356 45.025 1.00 0.00 ATOM 1390 CG PHE A 171 -8.139 23.690 44.351 1.00 0.00 ATOM 1391 CD1 PHE A 171 -9.211 24.521 44.633 1.00 0.00 ATOM 1392 CD2 PHE A 171 -7.194 24.118 43.433 1.00 0.00 ATOM 1393 CE1 PHE A 171 -9.336 25.748 44.012 1.00 0.00 ATOM 1394 CE2 PHE A 171 -7.319 25.347 42.814 1.00 0.00 ATOM 1395 CZ PHE A 171 -8.384 26.160 43.099 1.00 0.00 ATOM 1396 O PHE A 171 -7.289 20.698 42.706 1.00 0.00 ATOM 1397 C PHE A 171 -8.456 20.981 42.977 1.00 0.00 ATOM 1398 N PRO A 172 -9.379 21.044 42.032 1.00 0.00 ATOM 1399 CA PRO A 172 -9.080 20.630 40.668 1.00 0.00 ATOM 1400 CB PRO A 172 -10.388 20.870 39.912 1.00 0.00 ATOM 1401 CG PRO A 172 -11.445 20.796 40.963 1.00 0.00 ATOM 1402 CD PRO A 172 -10.851 21.422 42.194 1.00 0.00 ATOM 1403 O PRO A 172 -7.924 22.718 40.217 1.00 0.00 ATOM 1404 C PRO A 172 -7.929 21.450 40.085 1.00 0.00 ATOM 1405 N THR A 173 -7.044 20.813 39.314 1.00 0.00 ATOM 1406 CA THR A 173 -5.999 21.537 38.594 1.00 0.00 ATOM 1407 CB THR A 173 -5.306 20.580 37.606 1.00 0.00 ATOM 1408 CG2 THR A 173 -4.239 21.317 36.812 1.00 0.00 ATOM 1409 OG1 THR A 173 -4.689 19.507 38.328 1.00 0.00 ATOM 1410 O THR A 173 -5.982 23.782 37.771 1.00 0.00 ATOM 1411 C THR A 173 -6.564 22.682 37.733 1.00 0.00 ATOM 1412 N ILE A 174 -7.637 22.474 37.045 1.00 0.00 ATOM 1413 CA ILE A 174 -8.154 23.544 36.171 1.00 0.00 ATOM 1414 CB ILE A 174 -9.330 23.036 35.317 1.00 0.00 ATOM 1415 CG1 ILE A 174 -9.583 23.982 34.142 1.00 0.00 ATOM 1416 CG2 ILE A 174 -10.599 22.957 36.152 1.00 0.00 ATOM 1417 CD1 ILE A 174 -10.520 23.419 33.095 1.00 0.00 ATOM 1418 O ILE A 174 -8.674 25.865 36.437 1.00 0.00 ATOM 1419 C ILE A 174 -8.662 24.749 36.955 1.00 0.00 ATOM 1420 N ASN A 175 -9.027 24.541 38.220 1.00 0.00 ATOM 1421 CA ASN A 175 -9.477 25.653 39.076 1.00 0.00 ATOM 1422 CB ASN A 175 -10.219 25.118 40.303 1.00 0.00 ATOM 1423 CG ASN A 175 -11.579 24.547 39.958 1.00 0.00 ATOM 1424 ND2 ASN A 175 -12.088 23.672 40.816 1.00 0.00 ATOM 1425 OD1 ASN A 175 -12.164 24.891 38.931 1.00 0.00 ATOM 1426 O ASN A 175 -8.582 27.555 40.261 1.00 0.00 ATOM 1427 C ASN A 175 -8.331 26.529 39.600 1.00 0.00 ATOM 1428 N ILE A 176 -7.089 26.153 39.295 1.00 0.00 ATOM 1429 CA ILE A 176 -5.949 26.958 39.640 1.00 0.00 ATOM 1430 CB ILE A 176 -4.623 26.215 39.722 1.00 0.00 ATOM 1431 CG1 ILE A 176 -4.285 25.382 38.465 1.00 0.00 ATOM 1432 CG2 ILE A 176 -4.663 25.223 40.911 1.00 0.00 ATOM 1433 CD1 ILE A 176 -2.852 24.891 38.426 1.00 0.00 ATOM 1434 O ILE A 176 -4.917 28.970 38.776 1.00 0.00 ATOM 1435 C ILE A 176 -5.706 28.047 38.563 1.00 0.00 ATOM 1436 N GLU A 177 -6.362 27.936 37.410 1.00 0.00 ATOM 1437 CA GLU A 177 -6.065 28.819 36.267 1.00 0.00 ATOM 1438 CB GLU A 177 -7.085 28.608 35.146 1.00 0.00 ATOM 1439 CG GLU A 177 -6.839 29.462 33.913 1.00 0.00 ATOM 1440 CD GLU A 177 -7.843 29.195 32.810 1.00 0.00 ATOM 1441 OE1 GLU A 177 -8.713 28.317 32.997 1.00 0.00 ATOM 1442 OE2 GLU A 177 -7.762 29.864 31.758 1.00 0.00 ATOM 1443 O GLU A 177 -5.203 31.060 36.247 1.00 0.00 ATOM 1444 C GLU A 177 -6.099 30.312 36.630 1.00 0.00 ATOM 1445 N PRO A 178 -7.145 30.767 37.350 1.00 0.00 ATOM 1446 CA PRO A 178 -7.141 32.223 37.670 1.00 0.00 ATOM 1447 CB PRO A 178 -8.417 32.424 38.492 1.00 0.00 ATOM 1448 CG PRO A 178 -9.340 31.353 38.018 1.00 0.00 ATOM 1449 CD PRO A 178 -8.483 30.141 37.778 1.00 0.00 ATOM 1450 O PRO A 178 -5.443 33.815 38.212 1.00 0.00 ATOM 1451 C PRO A 178 -5.944 32.712 38.464 1.00 0.00 ATOM 1452 N ASP A 179 -5.460 31.915 39.412 1.00 0.00 ATOM 1453 CA ASP A 179 -4.262 32.272 40.156 1.00 0.00 ATOM 1454 CB ASP A 179 -4.012 31.267 41.283 1.00 0.00 ATOM 1455 CG ASP A 179 -4.993 31.422 42.428 1.00 0.00 ATOM 1456 OD1 ASP A 179 -5.701 32.450 42.470 1.00 0.00 ATOM 1457 OD2 ASP A 179 -5.053 30.516 43.286 1.00 0.00 ATOM 1458 O ASP A 179 -2.127 33.100 39.442 1.00 0.00 ATOM 1459 C ASP A 179 -3.014 32.259 39.291 1.00 0.00 ATOM 1460 N ILE A 180 -2.939 31.304 38.361 1.00 0.00 ATOM 1461 CA ILE A 180 -1.779 31.215 37.471 1.00 0.00 ATOM 1462 CB ILE A 180 -1.875 29.970 36.596 1.00 0.00 ATOM 1463 CG1 ILE A 180 -1.596 28.731 37.460 1.00 0.00 ATOM 1464 CG2 ILE A 180 -0.895 30.059 35.392 1.00 0.00 ATOM 1465 CD1 ILE A 180 -2.039 27.430 36.798 1.00 0.00 ATOM 1466 O ILE A 180 -0.616 33.020 36.353 1.00 0.00 ATOM 1467 C ILE A 180 -1.693 32.445 36.550 1.00 0.00 ATOM 1468 N LYS A 181 -2.791 32.745 35.874 1.00 0.00 ATOM 1469 CA LYS A 181 -2.851 33.901 34.980 1.00 0.00 ATOM 1470 CB LYS A 181 -4.265 34.078 34.426 1.00 0.00 ATOM 1471 CG LYS A 181 -4.410 35.233 33.448 1.00 0.00 ATOM 1472 CD LYS A 181 -5.817 35.302 32.879 1.00 0.00 ATOM 1473 CE LYS A 181 -5.969 36.475 31.923 1.00 0.00 ATOM 1474 NZ LYS A 181 -7.349 36.563 31.369 1.00 0.00 ATOM 1475 O LYS A 181 -1.800 36.047 35.128 1.00 0.00 ATOM 1476 C LYS A 181 -2.466 35.181 35.706 1.00 0.00 ATOM 1477 N ARG A 182 -2.935 35.342 36.938 1.00 0.00 ATOM 1478 CA ARG A 182 -2.609 36.551 37.722 1.00 0.00 ATOM 1479 CB ARG A 182 -3.273 36.491 39.101 1.00 0.00 ATOM 1480 CG ARG A 182 -4.783 36.663 39.069 1.00 0.00 ATOM 1481 CD ARG A 182 -5.382 36.520 40.459 1.00 0.00 ATOM 1482 NE ARG A 182 -6.837 36.655 40.444 1.00 0.00 ATOM 1483 CZ ARG A 182 -7.613 36.500 41.512 1.00 0.00 ATOM 1484 NH1 ARG A 182 -8.927 36.641 41.403 1.00 0.00 ATOM 1485 NH2 ARG A 182 -7.072 36.202 42.686 1.00 0.00 ATOM 1486 O ARG A 182 -0.516 37.764 37.834 1.00 0.00 ATOM 1487 C ARG A 182 -1.123 36.681 37.896 1.00 0.00 ATOM 1488 N LEU A 183 -0.401 35.600 38.147 1.00 0.00 ATOM 1489 CA LEU A 183 1.043 35.616 38.338 1.00 0.00 ATOM 1490 CB LEU A 183 1.514 34.303 38.970 1.00 0.00 ATOM 1491 CG LEU A 183 1.014 34.015 40.387 1.00 0.00 ATOM 1492 CD1 LEU A 183 1.472 32.640 40.848 1.00 0.00 ATOM 1493 CD2 LEU A 183 1.549 35.047 41.367 1.00 0.00 ATOM 1494 O LEU A 183 2.760 36.564 36.966 1.00 0.00 ATOM 1495 C LEU A 183 1.760 35.846 37.013 1.00 0.00 ATOM 1496 N LEU A 184 1.267 35.229 35.971 1.00 0.00 ATOM 1497 CA LEU A 184 1.873 35.403 34.653 1.00 0.00 ATOM 1498 CB LEU A 184 1.171 34.515 33.625 1.00 0.00 ATOM 1499 CG LEU A 184 1.354 33.005 33.796 1.00 0.00 ATOM 1500 CD1 LEU A 184 0.466 32.244 32.826 1.00 0.00 ATOM 1501 CD2 LEU A 184 2.799 32.606 33.533 1.00 0.00 ATOM 1502 O LEU A 184 2.715 37.369 33.602 1.00 0.00 ATOM 1503 C LEU A 184 1.777 36.850 34.199 1.00 0.00 ATOM 1504 N LYS A 185 0.638 37.486 34.543 1.00 0.00 ATOM 1505 CA LYS A 185 0.410 38.881 34.188 1.00 0.00 ATOM 1506 CB LYS A 185 -0.986 39.325 34.627 1.00 0.00 ATOM 1507 CG LYS A 185 -1.343 40.746 34.220 1.00 0.00 ATOM 1508 CD LYS A 185 -2.771 41.091 34.613 1.00 0.00 ATOM 1509 CE LYS A 185 -3.128 42.509 34.201 1.00 0.00 ATOM 1510 NZ LYS A 185 -4.526 42.860 34.576 1.00 0.00 ATOM 1511 O LYS A 185 1.474 39.901 36.091 1.00 0.00 ATOM 1512 C LYS A 185 1.430 39.798 34.860 1.00 0.00 ENDMDL EXPDTA 2he3A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2he3A ATOM 1 N MET A 1 19.521 21.955 55.002 1.00 0.00 ATOM 2 CA MET A 1 18.789 21.002 54.112 1.00 0.00 ATOM 3 CB MET A 1 17.768 20.177 54.920 1.00 0.00 ATOM 4 O MET A 1 18.394 21.492 51.794 1.00 0.00 ATOM 5 C MET A 1 18.083 21.736 52.959 1.00 0.00 ATOM 6 N ILE A 2 17.167 22.648 53.299 1.00 0.00 ATOM 7 CA ILE A 2 16.236 23.302 52.346 1.00 0.00 ATOM 8 CB ILE A 2 15.086 24.088 53.125 1.00 0.00 ATOM 9 CG1 ILE A 2 14.311 23.173 54.090 1.00 0.00 ATOM 10 CG2 ILE A 2 14.118 24.761 52.191 1.00 0.00 ATOM 11 CD1 ILE A 2 13.759 21.939 53.440 1.00 0.00 ATOM 12 O ILE A 2 17.865 25.034 51.891 1.00 0.00 ATOM 13 C ILE A 2 16.995 24.286 51.426 1.00 0.00 ATOM 14 N ALA A 3 16.671 24.288 50.131 1.00 0.00 ATOM 15 CA ALA A 3 17.297 25.238 49.185 1.00 0.00 ATOM 16 CB ALA A 3 16.770 25.028 47.746 1.00 0.00 ATOM 17 O ALA A 3 15.953 26.995 50.128 1.00 0.00 ATOM 18 C ALA A 3 17.037 26.674 49.633 1.00 0.00 ATOM 19 N LYS A 4 18.012 27.547 49.439 1.00 0.00 ATOM 20 CA LYS A 4 17.808 28.956 49.745 1.00 0.00 ATOM 21 CB LYS A 4 19.160 29.695 49.853 1.00 0.00 ATOM 22 CG LYS A 4 20.104 29.150 50.942 1.00 0.00 ATOM 23 CD LYS A 4 19.497 29.225 52.354 1.00 0.00 ATOM 24 CE LYS A 4 20.433 28.622 53.403 1.00 0.00 ATOM 25 NZ LYS A 4 20.022 28.968 54.800 1.00 0.00 ATOM 26 O LYS A 4 16.047 30.393 49.003 1.00 0.00 ATOM 27 C LYS A 4 16.912 29.597 48.681 1.00 0.00 ATOM 28 N SER A 5 17.096 29.227 47.419 1.00 0.00 ATOM 29 CA SER A 5 16.256 29.728 46.332 1.00 0.00 ATOM 30 CB SER A 5 17.092 30.577 45.346 1.00 0.00 ATOM 31 OG SER A 5 16.345 30.984 44.193 1.00 0.00 ATOM 32 O SER A 5 16.164 27.496 45.425 1.00 0.00 ATOM 33 C SER A 5 15.585 28.579 45.609 1.00 0.00 ATOM 34 N PHE A 6 14.342 28.822 45.195 1.00 0.00 ATOM 35 CA PHE A 6 13.640 27.957 44.261 1.00 0.00 ATOM 36 CB PHE A 6 12.340 28.649 43.846 1.00 0.00 ATOM 37 CG PHE A 6 11.554 27.908 42.837 1.00 0.00 ATOM 38 CD1 PHE A 6 10.890 26.741 43.175 1.00 0.00 ATOM 39 CD2 PHE A 6 11.438 28.385 41.540 1.00 0.00 ATOM 40 CE1 PHE A 6 10.132 26.052 42.228 1.00 0.00 ATOM 41 CE2 PHE A 6 10.668 27.698 40.606 1.00 0.00 ATOM 42 CZ PHE A 6 10.025 26.527 40.953 1.00 0.00 ATOM 43 O PHE A 6 14.564 26.491 42.579 1.00 0.00 ATOM 44 C PHE A 6 14.525 27.628 43.037 1.00 0.00 ATOM 45 N TYR A 7 15.272 28.620 42.552 1.00 0.00 ATOM 46 CA TYR A 7 16.075 28.468 41.348 1.00 0.00 ATOM 47 CB TYR A 7 16.431 29.842 40.790 1.00 0.00 ATOM 48 CG TYR A 7 15.220 30.635 40.426 1.00 0.00 ATOM 49 CD1 TYR A 7 14.247 30.099 39.590 1.00 0.00 ATOM 50 CD2 TYR A 7 15.026 31.932 40.918 1.00 0.00 ATOM 51 CE1 TYR A 7 13.115 30.814 39.273 1.00 0.00 ATOM 52 CE2 TYR A 7 13.876 32.679 40.574 1.00 0.00 ATOM 53 CZ TYR A 7 12.938 32.102 39.757 1.00 0.00 ATOM 54 OH TYR A 7 11.821 32.804 39.372 1.00 0.00 ATOM 55 O TYR A 7 17.920 27.221 40.550 1.00 0.00 ATOM 56 C TYR A 7 17.332 27.607 41.536 1.00 0.00 ATOM 57 N ASP A 8 17.684 27.267 42.785 1.00 0.00 ATOM 58 CA ASP A 8 18.806 26.374 43.100 1.00 0.00 ATOM 59 CB ASP A 8 19.273 26.559 44.549 1.00 0.00 ATOM 60 CG ASP A 8 19.844 27.928 44.817 1.00 0.00 ATOM 61 OD1 ASP A 8 20.309 28.556 43.868 1.00 0.00 ATOM 62 OD2 ASP A 8 19.802 28.380 45.978 1.00 0.00 ATOM 63 O ASP A 8 19.279 24.035 43.004 1.00 0.00 ATOM 64 C ASP A 8 18.424 24.911 42.946 1.00 0.00 ATOM 65 N LEU A 9 17.146 24.644 42.747 1.00 0.00 ATOM 66 CA LEU A 9 16.680 23.290 42.643 1.00 0.00 ATOM 67 CB LEU A 9 15.206 23.189 43.054 1.00 0.00 ATOM 68 CG LEU A 9 14.769 23.596 44.477 1.00 0.00 ATOM 69 CD1 LEU A 9 13.234 23.891 44.547 1.00 0.00 ATOM 70 CD2 LEU A 9 15.187 22.535 45.487 1.00 0.00 ATOM 71 O LEU A 9 17.211 23.396 40.297 1.00 0.00 ATOM 72 C LEU A 9 16.897 22.700 41.256 1.00 0.00 ATOM 73 N SER A 10 16.754 21.377 41.183 1.00 0.00 ATOM 74 CA SER A 10 16.778 20.680 39.933 1.00 0.00 ATOM 75 CB SER A 10 18.217 20.460 39.457 1.00 0.00 ATOM 76 OG SER A 10 18.928 19.585 40.350 1.00 0.00 ATOM 77 O SER A 10 15.824 18.882 41.213 1.00 0.00 ATOM 78 C SER A 10 16.129 19.330 40.105 1.00 0.00 ATOM 79 N ALA A 11 15.943 18.677 38.979 1.00 0.00 ATOM 80 CA ALA A 11 15.288 17.390 38.911 1.00 0.00 ATOM 81 CB ALA A 11 13.786 17.593 38.826 1.00 0.00 ATOM 82 O ALA A 11 16.501 17.301 36.842 1.00 0.00 ATOM 83 C ALA A 11 15.834 16.681 37.668 1.00 0.00 ATOM 84 N ILE A 12 15.608 15.377 37.575 1.00 0.00 ATOM 85 CA ILE A 12 15.985 14.588 36.419 1.00 0.00 ATOM 86 CB ILE A 12 16.831 13.335 36.814 1.00 0.00 ATOM 87 CG1 ILE A 12 17.955 13.684 37.776 1.00 0.00 ATOM 88 CG2 ILE A 12 17.402 12.648 35.569 1.00 0.00 ATOM 89 CD1 ILE A 12 18.917 14.719 37.244 1.00 0.00 ATOM 90 O ILE A 12 13.791 13.571 36.295 1.00 0.00 ATOM 91 C ILE A 12 14.701 14.154 35.695 1.00 0.00 ATOM 92 N ASN A 13 14.597 14.467 34.413 1.00 0.00 ATOM 93 CA ASN A 13 13.448 13.993 33.644 1.00 0.00 ATOM 94 CB ASN A 13 13.121 14.908 32.445 1.00 0.00 ATOM 95 CG ASN A 13 14.101 14.782 31.297 1.00 0.00 ATOM 96 ND2 ASN A 13 14.182 15.830 30.499 1.00 0.00 ATOM 97 OD1 ASN A 13 14.776 13.767 31.126 1.00 0.00 ATOM 98 O ASN A 13 14.601 11.881 33.515 1.00 0.00 ATOM 99 C ASN A 13 13.573 12.510 33.268 1.00 0.00 ATOM 100 N LEU A 14 12.518 11.966 32.676 1.00 0.00 ATOM 101 CA LEU A 14 12.438 10.532 32.393 1.00 0.00 ATOM 102 CB LEU A 14 11.041 10.120 31.922 1.00 0.00 ATOM 103 CG LEU A 14 9.875 10.176 32.909 1.00 0.00 ATOM 104 CD1 LEU A 14 8.573 9.766 32.171 1.00 0.00 ATOM 105 CD2 LEU A 14 10.125 9.307 34.144 1.00 0.00 ATOM 106 O LEU A 14 13.905 8.924 31.423 1.00 0.00 ATOM 107 C LEU A 14 13.490 10.085 31.391 1.00 0.00 ATOM 108 N ASP A 15 13.963 11.008 30.550 1.00 0.00 ATOM 109 CA ASP A 15 15.086 10.728 29.649 1.00 0.00 ATOM 110 CB ASP A 15 15.043 11.639 28.428 1.00 0.00 ATOM 111 CG ASP A 15 13.835 11.370 27.547 1.00 0.00 ATOM 112 OD1 ASP A 15 13.452 10.182 27.420 1.00 0.00 ATOM 113 OD2 ASP A 15 13.292 12.344 26.971 1.00 0.00 ATOM 114 O ASP A 15 17.454 10.742 29.644 1.00 0.00 ATOM 115 C ASP A 15 16.441 10.881 30.310 1.00 0.00 ATOM 116 N GLY A 16 16.472 11.144 31.614 1.00 0.00 ATOM 117 CA GLY A 16 17.733 11.227 32.362 1.00 0.00 ATOM 118 O GLY A 16 19.576 12.702 32.623 1.00 0.00 ATOM 119 C GLY A 16 18.429 12.570 32.227 1.00 0.00 ATOM 120 N GLU A 17 17.733 13.554 31.662 1.00 0.00 ATOM 121 CA GLU A 17 18.259 14.909 31.507 1.00 0.00 ATOM 122 CB GLU A 17 17.652 15.583 30.289 1.00 0.00 ATOM 123 CG GLU A 17 17.885 14.881 28.969 1.00 0.00 ATOM 124 CD GLU A 17 17.014 15.476 27.874 1.00 0.00 ATOM 125 OE1 GLU A 17 15.790 15.195 27.849 1.00 0.00 ATOM 126 OE2 GLU A 17 17.554 16.241 27.048 1.00 0.00 ATOM 127 O GLU A 17 16.835 15.703 33.273 1.00 0.00 ATOM 128 C GLU A 17 17.924 15.781 32.717 1.00 0.00 ATOM 129 N LYS A 18 18.867 16.636 33.085 1.00 0.00 ATOM 130 CA LYS A 18 18.697 17.538 34.184 1.00 0.00 ATOM 131 CB LYS A 18 20.045 18.122 34.613 1.00 0.00 ATOM 132 CG LYS A 18 19.969 19.041 35.810 1.00 0.00 ATOM 133 CD LYS A 18 21.280 19.677 36.073 1.00 0.00 ATOM 134 CE LYS A 18 21.193 20.631 37.240 1.00 0.00 ATOM 135 NZ LYS A 18 22.579 20.821 37.812 1.00 0.00 ATOM 136 O LYS A 18 17.814 19.167 32.650 1.00 0.00 ATOM 137 C LYS A 18 17.740 18.643 33.762 1.00 0.00 ATOM 138 N VAL A 19 16.797 18.924 34.640 1.00 0.00 ATOM 139 CA VAL A 19 15.922 20.074 34.550 1.00 0.00 ATOM 140 CB VAL A 19 14.488 19.687 34.895 1.00 0.00 ATOM 141 CG1 VAL A 19 13.609 20.933 35.005 1.00 0.00 ATOM 142 CG2 VAL A 19 13.932 18.673 33.881 1.00 0.00 ATOM 143 O VAL A 19 16.293 20.868 36.781 1.00 0.00 ATOM 144 C VAL A 19 16.444 21.074 35.571 1.00 0.00 ATOM 145 N ASP A 20 17.073 22.140 35.081 1.00 0.00 ATOM 146 CA ASP A 20 17.687 23.156 35.939 1.00 0.00 ATOM 147 CB ASP A 20 18.937 23.765 35.262 1.00 0.00 ATOM 148 CG ASP A 20 19.835 24.536 36.236 1.00 0.00 ATOM 149 OD1 ASP A 20 19.319 25.399 36.991 1.00 0.00 ATOM 150 OD2 ASP A 20 21.072 24.298 36.220 1.00 0.00 ATOM 151 O ASP A 20 16.125 24.850 35.313 1.00 0.00 ATOM 152 C ASP A 20 16.636 24.235 36.226 1.00 0.00 ATOM 153 N PHE A 21 16.291 24.438 37.494 1.00 0.00 ATOM 154 CA PHE A 21 15.254 25.392 37.820 1.00 0.00 ATOM 155 CB PHE A 21 14.826 25.276 39.277 1.00 0.00 ATOM 156 CG PHE A 21 13.864 24.137 39.557 1.00 0.00 ATOM 157 CD1 PHE A 21 14.010 22.890 38.948 1.00 0.00 ATOM 158 CD2 PHE A 21 12.873 24.291 40.492 1.00 0.00 ATOM 159 CE1 PHE A 21 13.115 21.840 39.225 1.00 0.00 ATOM 160 CE2 PHE A 21 11.999 23.258 40.790 1.00 0.00 ATOM 161 CZ PHE A 21 12.126 22.029 40.155 1.00 0.00 ATOM 162 O PHE A 21 14.744 27.701 37.526 1.00 0.00 ATOM 163 C PHE A 21 15.613 26.864 37.485 1.00 0.00 ATOM 164 N ASN A 22 16.872 27.178 37.174 1.00 0.00 ATOM 165 CA ASN A 22 17.191 28.519 36.674 1.00 0.00 ATOM 166 CB ASN A 22 18.694 28.712 36.415 1.00 0.00 ATOM 167 CG ASN A 22 19.459 29.112 37.663 1.00 0.00 ATOM 168 ND2 ASN A 22 20.587 28.478 37.869 1.00 0.00 ATOM 169 OD1 ASN A 22 19.041 30.000 38.429 1.00 0.00 ATOM 170 O ASN A 22 16.145 29.990 35.147 1.00 0.00 ATOM 171 C ASN A 22 16.439 28.838 35.402 1.00 0.00 ATOM 172 N THR A 23 16.127 27.806 34.612 1.00 0.00 ATOM 173 CA THR A 23 15.381 27.988 33.380 1.00 0.00 ATOM 174 CB THR A 23 15.369 26.710 32.487 1.00 0.00 ATOM 175 CG2 THR A 23 16.801 26.269 32.096 1.00 0.00 ATOM 176 OG1 THR A 23 14.709 25.652 33.179 1.00 0.00 ATOM 177 O THR A 23 13.228 28.815 32.754 1.00 0.00 ATOM 178 C THR A 23 13.944 28.421 33.671 1.00 0.00 ATOM 179 N PHE A 24 13.522 28.359 34.939 1.00 0.00 ATOM 180 CA PHE A 24 12.174 28.806 35.306 1.00 0.00 ATOM 181 CB PHE A 24 11.616 28.017 36.482 1.00 0.00 ATOM 182 CG PHE A 24 11.584 26.531 36.285 1.00 0.00 ATOM 183 CD1 PHE A 24 11.717 25.955 35.032 1.00 0.00 ATOM 184 CD2 PHE A 24 11.382 25.694 37.379 1.00 0.00 ATOM 185 CE1 PHE A 24 11.718 24.583 34.884 1.00 0.00 ATOM 186 CE2 PHE A 24 11.339 24.335 37.226 1.00 0.00 ATOM 187 CZ PHE A 24 11.512 23.771 35.963 1.00 0.00 ATOM 188 O PHE A 24 10.981 30.736 35.911 1.00 0.00 ATOM 189 C PHE A 24 12.062 30.293 35.628 1.00 0.00 ATOM 190 N ARG A 25 13.154 31.063 35.559 1.00 0.00 ATOM 191 CA ARG A 25 13.110 32.490 35.932 1.00 0.00 ATOM 192 CB ARG A 25 14.515 33.099 35.945 1.00 0.00 ATOM 193 CG ARG A 25 15.380 32.555 37.035 1.00 0.00 ATOM 194 CD ARG A 25 16.785 32.965 36.880 1.00 0.00 ATOM 195 NE ARG A 25 17.623 32.431 37.935 1.00 0.00 ATOM 196 CZ ARG A 25 17.825 33.021 39.104 1.00 0.00 ATOM 197 NH1 ARG A 25 17.234 34.165 39.397 1.00 0.00 ATOM 198 NH2 ARG A 25 18.623 32.465 39.996 1.00 0.00 ATOM 199 O ARG A 25 12.290 33.129 33.790 1.00 0.00 ATOM 200 C ARG A 25 12.204 33.268 34.990 1.00 0.00 ATOM 201 N GLY A 26 11.293 34.046 35.557 1.00 0.00 ATOM 202 CA GLY A 26 10.338 34.776 34.765 1.00 0.00 ATOM 203 O GLY A 26 8.262 34.454 33.664 1.00 0.00 ATOM 204 C GLY A 26 9.137 33.952 34.355 1.00 0.00 ATOM 205 N ARG A 27 9.086 32.692 34.770 1.00 0.00 ATOM 206 CA ARG A 27 7.949 31.826 34.457 1.00 0.00 ATOM 207 CB ARG A 27 8.399 30.598 33.648 1.00 0.00 ATOM 208 CG ARG A 27 9.063 30.943 32.320 1.00 0.00 ATOM 209 CD ARG A 27 9.639 29.723 31.597 1.00 0.00 ATOM 210 NE ARG A 27 9.820 29.979 30.167 1.00 0.00 ATOM 211 CZ ARG A 27 9.977 29.041 29.222 1.00 0.00 ATOM 212 NH1 ARG A 27 9.993 27.744 29.522 1.00 0.00 ATOM 213 NH2 ARG A 27 10.118 29.397 27.962 1.00 0.00 ATOM 214 O ARG A 27 7.915 31.210 36.756 1.00 0.00 ATOM 215 C ARG A 27 7.263 31.411 35.747 1.00 0.00 ATOM 216 N ALA A 28 5.931 31.332 35.698 1.00 0.00 ATOM 217 CA ALA A 28 5.158 30.655 36.705 1.00 0.00 ATOM 218 CB ALA A 28 3.658 30.962 36.564 1.00 0.00 ATOM 219 O ALA A 28 5.639 28.633 35.408 1.00 0.00 ATOM 220 C ALA A 28 5.421 29.133 36.546 1.00 0.00 ATOM 221 N VAL A 29 5.404 28.425 37.683 1.00 0.00 ATOM 222 CA VAL A 29 5.655 26.978 37.729 1.00 0.00 ATOM 223 CB VAL A 29 7.071 26.607 38.295 1.00 0.00 ATOM 224 CG1 VAL A 29 7.360 25.069 38.201 1.00 0.00 ATOM 225 CG2 VAL A 29 8.166 27.382 37.568 1.00 0.00 ATOM 226 O VAL A 29 4.189 26.715 39.640 1.00 0.00 ATOM 227 C VAL A 29 4.548 26.290 38.523 1.00 0.00 ATOM 228 N LEU A 30 3.963 25.263 37.898 1.00 0.00 ATOM 229 CA LEU A 30 3.006 24.382 38.537 1.00 0.00 ATOM 230 CB LEU A 30 1.730 24.246 37.703 1.00 0.00 ATOM 231 CG LEU A 30 0.635 23.369 38.346 1.00 0.00 ATOM 232 CD1 LEU A 30 0.261 23.911 39.757 1.00 0.00 ATOM 233 CD2 LEU A 30 -0.597 23.207 37.404 1.00 0.00 ATOM 234 O LEU A 30 4.142 22.375 37.802 1.00 0.00 ATOM 235 C LEU A 30 3.701 23.013 38.751 1.00 0.00 ATOM 236 N ILE A 31 3.864 22.635 40.011 1.00 0.00 ATOM 237 CA ILE A 31 4.417 21.325 40.367 1.00 0.00 ATOM 238 CB ILE A 31 5.674 21.454 41.280 1.00 0.00 ATOM 239 CG1 ILE A 31 6.826 22.095 40.478 1.00 0.00 ATOM 240 CG2 ILE A 31 6.079 20.053 41.929 1.00 0.00 ATOM 241 CD1 ILE A 31 8.070 22.530 41.283 1.00 0.00 ATOM 242 O ILE A 31 2.661 20.962 41.933 1.00 0.00 ATOM 243 C ILE A 31 3.316 20.496 41.027 1.00 0.00 ATOM 244 N GLU A 32 3.075 19.293 40.492 1.00 0.00 ATOM 245 CA GLU A 32 2.197 18.308 41.119 1.00 0.00 ATOM 246 CB GLU A 32 0.956 18.020 40.247 1.00 0.00 ATOM 247 CG GLU A 32 0.101 19.219 39.924 1.00 0.00 ATOM 248 CD GLU A 32 -1.321 18.870 39.541 1.00 0.00 ATOM 249 OE1 GLU A 32 -1.727 17.710 39.649 1.00 0.00 ATOM 250 OE2 GLU A 32 -2.058 19.785 39.169 1.00 0.00 ATOM 251 O GLU A 32 3.764 16.623 40.511 1.00 0.00 ATOM 252 C GLU A 32 2.964 16.999 41.335 1.00 0.00 ATOM 253 N ASN A 33 2.712 16.319 42.442 1.00 0.00 ATOM 254 CA ASN A 33 3.019 14.889 42.556 1.00 0.00 ATOM 255 CB ASN A 33 3.222 14.399 44.016 1.00 0.00 ATOM 256 CG ASN A 33 1.980 14.582 44.892 1.00 0.00 ATOM 257 ND2 ASN A 33 1.467 13.474 45.436 1.00 0.00 ATOM 258 OD1 ASN A 33 1.494 15.699 45.071 1.00 0.00 ATOM 259 O ASN A 33 0.724 14.399 42.092 1.00 0.00 ATOM 260 C ASN A 33 1.908 14.126 41.867 1.00 0.00 ATOM 261 N VAL A 34 2.298 13.183 41.020 1.00 0.00 ATOM 262 CA VAL A 34 1.355 12.502 40.136 1.00 0.00 ATOM 263 CB VAL A 34 1.555 12.910 38.631 1.00 0.00 ATOM 264 CG1 VAL A 34 1.449 14.406 38.467 1.00 0.00 ATOM 265 CG2 VAL A 34 2.872 12.358 38.031 1.00 0.00 ATOM 266 O VAL A 34 2.392 10.453 40.885 1.00 0.00 ATOM 267 C VAL A 34 1.438 10.987 40.325 1.00 0.00 ATOM 268 N ALA A 35 0.403 10.298 39.894 1.00 0.00 ATOM 269 CA ALA A 35 0.433 8.859 39.889 1.00 0.00 ATOM 270 CB ALA A 35 -0.173 8.309 41.181 1.00 0.00 ATOM 271 O ALA A 35 -1.344 8.905 38.297 1.00 0.00 ATOM 272 C ALA A 35 -0.307 8.370 38.646 1.00 0.00 ATOM 273 N SER A 36 0.249 7.365 37.973 1.00 0.00 ATOM 274 CA SER A 36 -0.331 6.809 36.719 1.00 0.00 ATOM 275 CB SER A 36 0.696 5.903 36.005 1.00 0.00 ATOM 276 OG SER A 36 1.782 6.653 35.501 1.00 0.00 ATOM 277 O SER A 36 -2.466 5.954 35.982 1.00 0.00 ATOM 278 C SER A 36 -1.638 6.004 36.898 1.00 0.00 ATOM 279 N LEU A 37 -1.804 5.340 38.039 1.00 0.00 ATOM 280 CA LEU A 37 -2.980 4.502 38.256 1.00 0.00 ATOM 281 CB LEU A 37 -2.576 3.016 38.311 1.00 0.00 ATOM 282 CG LEU A 37 -2.458 2.286 36.955 1.00 0.00 ATOM 283 CD1 LEU A 37 -1.456 1.103 37.080 1.00 0.00 ATOM 284 CD2 LEU A 37 -3.842 1.804 36.359 1.00 0.00 ATOM 285 O LEU A 37 -4.131 4.136 40.354 1.00 0.00 ATOM 286 C LEU A 37 -3.767 4.956 39.492 1.00 0.00 ATOM 287 N CYS A 38 -4.049 6.269 39.534 1.00 0.00 ATOM 288 CA CYS A 38 -4.929 6.904 40.540 1.00 0.00 ATOM 289 CB CYS A 38 -4.297 8.239 41.022 1.00 0.00 ATOM 290 SG CYS A 38 -5.106 9.162 42.442 1.00 0.00 ATOM 291 O CYS A 38 -6.572 7.139 38.763 1.00 0.00 ATOM 292 C CYS A 38 -6.364 7.121 39.980 1.00 0.00 ATOM 293 N GLY A 39 -7.348 7.267 40.870 1.00 0.00 ATOM 294 CA GLY A 39 -8.726 7.634 40.478 1.00 0.00 ATOM 295 O GLY A 39 -9.719 9.102 38.836 1.00 0.00 ATOM 296 C GLY A 39 -8.852 8.965 39.718 1.00 0.00 ATOM 297 N THR A 40 -8.001 9.944 40.065 1.00 0.00 ATOM 298 CA THR A 40 -7.945 11.238 39.351 1.00 0.00 ATOM 299 CB THR A 40 -7.899 12.470 40.326 1.00 0.00 ATOM 300 CG2 THR A 40 -9.066 12.452 41.318 1.00 0.00 ATOM 301 OG1 THR A 40 -6.651 12.503 41.036 1.00 0.00 ATOM 302 O THR A 40 -6.424 12.458 37.929 1.00 0.00 ATOM 303 C THR A 40 -6.774 11.346 38.344 1.00 0.00 ATOM 304 N THR A 41 -6.190 10.211 37.940 1.00 0.00 ATOM 305 CA THR A 41 -5.155 10.195 36.878 1.00 0.00 ATOM 306 CB THR A 41 -4.602 8.742 36.579 1.00 0.00 ATOM 307 CG2 THR A 41 -3.728 8.715 35.285 1.00 0.00 ATOM 308 OG1 THR A 41 -3.829 8.265 37.703 1.00 0.00 ATOM 309 O THR A 41 -5.071 11.853 35.111 1.00 0.00 ATOM 310 C THR A 41 -5.647 10.855 35.564 1.00 0.00 ATOM 311 N THR A 42 -6.711 10.315 34.965 1.00 0.00 ATOM 312 CA THR A 42 -7.161 10.809 33.659 1.00 0.00 ATOM 313 CB THR A 42 -8.362 10.001 33.114 1.00 0.00 ATOM 314 CG2 THR A 42 -8.850 10.549 31.747 1.00 0.00 ATOM 315 OG1 THR A 42 -7.958 8.639 32.961 1.00 0.00 ATOM 316 O THR A 42 -6.991 13.031 32.798 1.00 0.00 ATOM 317 C THR A 42 -7.444 12.320 33.696 1.00 0.00 ATOM 318 N ARG A 43 -8.144 12.787 34.748 1.00 0.00 ATOM 319 CA ARG A 43 -8.583 14.190 34.857 1.00 0.00 ATOM 320 CB ARG A 43 -9.540 14.386 36.032 1.00 0.00 ATOM 321 CG ARG A 43 -10.337 15.674 35.953 1.00 0.00 ATOM 322 O ARG A 43 -7.297 16.127 34.347 1.00 0.00 ATOM 323 C ARG A 43 -7.410 15.116 35.043 1.00 0.00 ATOM 324 N ASP A 44 -6.525 14.781 35.980 1.00 0.00 ATOM 325 CA ASP A 44 -5.401 15.658 36.254 1.00 0.00 ATOM 326 CB ASP A 44 -4.738 15.317 37.570 1.00 0.00 ATOM 327 CG ASP A 44 -5.540 15.833 38.780 1.00 0.00 ATOM 328 OD1 ASP A 44 -5.680 17.073 38.956 1.00 0.00 ATOM 329 OD2 ASP A 44 -6.035 14.985 39.538 1.00 0.00 ATOM 330 O ASP A 44 -3.897 16.759 34.776 1.00 0.00 ATOM 331 C ASP A 44 -4.407 15.686 35.099 1.00 0.00 ATOM 332 N PHE A 45 -4.169 14.529 34.462 1.00 0.00 ATOM 333 CA PHE A 45 -3.267 14.445 33.331 1.00 0.00 ATOM 334 CB PHE A 45 -2.906 12.972 32.992 1.00 0.00 ATOM 335 CG PHE A 45 -1.705 12.441 33.791 1.00 0.00 ATOM 336 CD1 PHE A 45 -0.412 12.751 33.416 1.00 0.00 ATOM 337 CD2 PHE A 45 -1.886 11.623 34.891 1.00 0.00 ATOM 338 CE1 PHE A 45 0.665 12.263 34.122 1.00 0.00 ATOM 339 CE2 PHE A 45 -0.816 11.147 35.606 1.00 0.00 ATOM 340 CZ PHE A 45 0.451 11.471 35.239 1.00 0.00 ATOM 341 O PHE A 45 -2.968 15.862 31.423 1.00 0.00 ATOM 342 C PHE A 45 -3.763 15.231 32.111 1.00 0.00 ATOM 343 N THR A 46 -5.066 15.185 31.863 1.00 0.00 ATOM 344 CA THR A 46 -5.710 15.971 30.813 1.00 0.00 ATOM 345 CB THR A 46 -7.206 15.566 30.653 1.00 0.00 ATOM 346 CG2 THR A 46 -7.903 16.428 29.598 1.00 0.00 ATOM 347 OG1 THR A 46 -7.284 14.195 30.245 1.00 0.00 ATOM 348 O THR A 46 -5.419 18.272 30.199 1.00 0.00 ATOM 349 C THR A 46 -5.650 17.464 31.104 1.00 0.00 ATOM 350 N GLN A 47 -5.859 17.818 32.368 1.00 0.00 ATOM 351 CA GLN A 47 -5.904 19.200 32.796 1.00 0.00 ATOM 352 CB GLN A 47 -6.688 19.348 34.114 1.00 0.00 ATOM 353 CG GLN A 47 -8.192 19.102 33.963 1.00 0.00 ATOM 354 CD GLN A 47 -8.980 19.286 35.239 1.00 0.00 ATOM 355 OE1 GLN A 47 -8.438 19.622 36.289 1.00 0.00 ATOM 356 NE2 GLN A 47 -10.286 19.080 35.150 1.00 0.00 ATOM 357 O GLN A 47 -4.297 20.950 32.561 1.00 0.00 ATOM 358 C GLN A 47 -4.490 19.777 32.870 1.00 0.00 ATOM 359 N LEU A 48 -3.493 18.952 33.221 1.00 0.00 ATOM 360 CA LEU A 48 -2.097 19.405 33.190 1.00 0.00 ATOM 361 CB LEU A 48 -1.148 18.392 33.856 1.00 0.00 ATOM 362 CG LEU A 48 -1.281 18.235 35.375 1.00 0.00 ATOM 363 CD1 LEU A 48 -0.655 16.906 35.856 1.00 0.00 ATOM 364 CD2 LEU A 48 -0.653 19.453 36.045 1.00 0.00 ATOM 365 O LEU A 48 -0.965 20.699 31.505 1.00 0.00 ATOM 366 C LEU A 48 -1.654 19.715 31.752 1.00 0.00 ATOM 367 N ASN A 49 -2.035 18.864 30.807 1.00 0.00 ATOM 368 CA ASN A 49 -1.758 19.145 29.419 1.00 0.00 ATOM 369 CB ASN A 49 -2.243 18.012 28.498 1.00 0.00 ATOM 370 CG ASN A 49 -1.244 16.863 28.373 1.00 0.00 ATOM 371 ND2 ASN A 49 -1.487 15.999 27.421 1.00 0.00 ATOM 372 OD1 ASN A 49 -0.253 16.788 29.088 1.00 0.00 ATOM 373 O ASN A 49 -1.786 21.261 28.263 1.00 0.00 ATOM 374 C ASN A 49 -2.413 20.455 28.956 1.00 0.00 ATOM 375 N GLU A 50 -3.685 20.630 29.298 1.00 0.00 ATOM 376 CA GLU A 50 -4.423 21.801 28.886 1.00 0.00 ATOM 377 CB GLU A 50 -5.855 21.703 29.358 1.00 0.00 ATOM 378 CG GLU A 50 -6.739 22.762 28.737 1.00 0.00 ATOM 379 CD GLU A 50 -8.209 22.439 28.900 1.00 0.00 ATOM 380 OE1 GLU A 50 -8.678 22.361 30.061 1.00 0.00 ATOM 381 OE2 GLU A 50 -8.890 22.245 27.870 1.00 0.00 ATOM 382 O GLU A 50 -3.516 24.018 28.621 1.00 0.00 ATOM 383 C GLU A 50 -3.760 23.096 29.396 1.00 0.00 ATOM 384 N LEU A 51 -3.432 23.142 30.683 1.00 0.00 ATOM 385 CA LEU A 51 -2.751 24.279 31.227 1.00 0.00 ATOM 386 CB LEU A 51 -2.537 24.152 32.741 1.00 0.00 ATOM 387 CG LEU A 51 -3.701 24.400 33.705 1.00 0.00 ATOM 388 CD1 LEU A 51 -3.181 24.117 35.092 1.00 0.00 ATOM 389 CD2 LEU A 51 -4.349 25.814 33.627 1.00 0.00 ATOM 390 O LEU A 51 -1.136 25.723 30.322 1.00 0.00 ATOM 391 C LEU A 51 -1.435 24.569 30.559 1.00 0.00 ATOM 392 N GLN A 52 -0.619 23.548 30.288 1.00 0.00 ATOM 393 CA GLN A 52 0.684 23.781 29.659 1.00 0.00 ATOM 394 CB GLN A 52 1.542 22.504 29.613 1.00 0.00 ATOM 395 CG GLN A 52 2.941 22.726 29.038 1.00 0.00 ATOM 396 CD GLN A 52 3.802 23.657 29.922 1.00 0.00 ATOM 397 OE1 GLN A 52 4.514 23.180 30.788 1.00 0.00 ATOM 398 NE2 GLN A 52 3.700 24.971 29.722 1.00 0.00 ATOM 399 O GLN A 52 1.294 25.211 27.821 1.00 0.00 ATOM 400 C GLN A 52 0.516 24.338 28.242 1.00 0.00 ATOM 401 N CYS A 53 -0.466 23.815 27.511 1.00 0.00 ATOM 402 CA CYS A 53 -0.768 24.282 26.137 1.00 0.00 ATOM 403 CB CYS A 53 -1.698 23.299 25.423 1.00 0.00 ATOM 404 SG CYS A 53 -0.899 21.746 25.114 1.00 0.00 ATOM 405 O CYS A 53 -1.105 26.435 25.144 1.00 0.00 ATOM 406 C CYS A 53 -1.351 25.699 26.096 1.00 0.00 ATOM 407 N ARG A 54 -2.090 26.079 27.137 1.00 0.00 ATOM 408 CA ARG A 54 -2.608 27.449 27.286 1.00 0.00 ATOM 409 CB ARG A 54 -3.637 27.507 28.393 1.00 0.00 ATOM 410 CG ARG A 54 -4.900 26.844 28.045 1.00 0.00 ATOM 411 CD ARG A 54 -5.945 27.065 29.101 1.00 0.00 ATOM 412 NE ARG A 54 -7.159 26.348 28.744 1.00 0.00 ATOM 413 CZ ARG A 54 -8.184 26.138 29.566 1.00 0.00 ATOM 414 NH1 ARG A 54 -8.151 26.612 30.798 1.00 0.00 ATOM 415 NH2 ARG A 54 -9.251 25.470 29.135 1.00 0.00 ATOM 416 O ARG A 54 -1.710 29.674 27.169 1.00 0.00 ATOM 417 C ARG A 54 -1.559 28.509 27.581 1.00 0.00 ATOM 418 N PHE A 55 -0.532 28.117 28.330 1.00 0.00 ATOM 419 CA PHE A 55 0.584 28.997 28.662 1.00 0.00 ATOM 420 CB PHE A 55 0.583 29.315 30.179 1.00 0.00 ATOM 421 CG PHE A 55 -0.712 29.908 30.682 1.00 0.00 ATOM 422 CD1 PHE A 55 -1.734 29.086 31.144 1.00 0.00 ATOM 423 CD2 PHE A 55 -0.920 31.271 30.661 1.00 0.00 ATOM 424 CE1 PHE A 55 -2.957 29.650 31.557 1.00 0.00 ATOM 425 CE2 PHE A 55 -2.111 31.818 31.093 1.00 0.00 ATOM 426 CZ PHE A 55 -3.122 31.019 31.537 1.00 0.00 ATOM 427 O PHE A 55 2.775 28.100 29.096 1.00 0.00 ATOM 428 C PHE A 55 1.926 28.360 28.246 1.00 0.00 ATOM 429 N PRO A 56 2.146 28.146 26.922 1.00 0.00 ATOM 430 CA PRO A 56 3.318 27.363 26.545 1.00 0.00 ATOM 431 CB PRO A 56 3.118 27.153 25.040 1.00 0.00 ATOM 432 CG PRO A 56 2.363 28.392 24.600 1.00 0.00 ATOM 433 CD PRO A 56 1.388 28.597 25.742 1.00 0.00 ATOM 434 O PRO A 56 5.649 27.325 27.025 1.00 0.00 ATOM 435 C PRO A 56 4.674 28.031 26.857 1.00 0.00 ATOM 436 N ARG A 57 4.729 29.364 26.916 1.00 0.00 ATOM 437 CA ARG A 57 5.953 30.077 27.189 1.00 0.00 ATOM 438 CB ARG A 57 6.134 31.243 26.222 1.00 0.00 ATOM 439 CG ARG A 57 6.220 30.840 24.745 1.00 0.00 ATOM 440 CD ARG A 57 6.725 32.039 23.861 1.00 0.00 ATOM 441 NE ARG A 57 6.621 31.754 22.415 1.00 0.00 ATOM 442 CZ ARG A 57 7.504 31.054 21.683 1.00 0.00 ATOM 443 NH1 ARG A 57 8.616 30.538 22.220 1.00 0.00 ATOM 444 NH2 ARG A 57 7.272 30.864 20.380 1.00 0.00 ATOM 445 O ARG A 57 7.137 30.803 29.122 1.00 0.00 ATOM 446 C ARG A 57 6.044 30.616 28.620 1.00 0.00 ATOM 447 N ARG A 58 4.924 30.908 29.259 1.00 0.00 ATOM 448 CA ARG A 58 4.967 31.637 30.527 1.00 0.00 ATOM 449 CB ARG A 58 3.935 32.759 30.526 1.00 0.00 ATOM 450 CG ARG A 58 4.146 33.823 29.474 1.00 0.00 ATOM 451 CD ARG A 58 2.969 34.848 29.476 1.00 0.00 ATOM 452 NE ARG A 58 1.681 34.319 28.951 1.00 0.00 ATOM 453 CZ ARG A 58 0.463 34.816 29.229 1.00 0.00 ATOM 454 NH1 ARG A 58 0.325 35.833 30.073 1.00 0.00 ATOM 455 NH2 ARG A 58 -0.636 34.286 28.677 1.00 0.00 ATOM 456 O ARG A 58 4.863 31.265 32.875 1.00 0.00 ATOM 457 C ARG A 58 4.777 30.764 31.752 1.00 0.00 ATOM 458 N LEU A 59 4.465 29.486 31.527 1.00 0.00 ATOM 459 CA LEU A 59 4.215 28.522 32.575 1.00 0.00 ATOM 460 CB LEU A 59 2.738 28.126 32.605 1.00 0.00 ATOM 461 CG LEU A 59 2.247 27.102 33.642 1.00 0.00 ATOM 462 CD1 LEU A 59 2.343 27.645 35.097 1.00 0.00 ATOM 463 CD2 LEU A 59 0.822 26.649 33.264 1.00 0.00 ATOM 464 O LEU A 59 5.284 26.941 31.162 1.00 0.00 ATOM 465 C LEU A 59 5.079 27.295 32.303 1.00 0.00 ATOM 466 N VAL A 60 5.626 26.716 33.368 1.00 0.00 ATOM 467 CA VAL A 60 6.186 25.378 33.329 1.00 0.00 ATOM 468 CB VAL A 60 7.657 25.344 33.823 1.00 0.00 ATOM 469 CG1 VAL A 60 8.224 23.897 33.802 1.00 0.00 ATOM 470 CG2 VAL A 60 8.532 26.284 32.977 1.00 0.00 ATOM 471 O VAL A 60 5.129 24.829 35.375 1.00 0.00 ATOM 472 C VAL A 60 5.320 24.509 34.208 1.00 0.00 ATOM 473 N VAL A 61 4.771 23.429 33.636 1.00 0.00 ATOM 474 CA VAL A 61 4.067 22.371 34.381 1.00 0.00 ATOM 475 CB VAL A 61 2.769 21.923 33.673 1.00 0.00 ATOM 476 CG1 VAL A 61 2.027 20.895 34.501 1.00 0.00 ATOM 477 CG2 VAL A 61 1.867 23.110 33.375 1.00 0.00 ATOM 478 O VAL A 61 5.605 20.682 33.619 1.00 0.00 ATOM 479 C VAL A 61 5.032 21.178 34.562 1.00 0.00 ATOM 480 N LEU A 62 5.220 20.732 35.796 1.00 0.00 ATOM 481 CA LEU A 62 6.181 19.691 36.091 1.00 0.00 ATOM 482 CB LEU A 62 7.405 20.364 36.759 1.00 0.00 ATOM 483 CG LEU A 62 8.809 19.784 36.921 1.00 0.00 ATOM 484 CD1 LEU A 62 9.457 19.389 35.587 1.00 0.00 ATOM 485 CD2 LEU A 62 9.659 20.871 37.643 1.00 0.00 ATOM 486 O LEU A 62 4.904 19.013 37.999 1.00 0.00 ATOM 487 C LEU A 62 5.508 18.659 36.977 1.00 0.00 ATOM 488 N GLY A 63 5.526 17.394 36.554 1.00 0.00 ATOM 489 CA GLY A 63 4.903 16.313 37.338 1.00 0.00 ATOM 490 O GLY A 63 6.806 14.905 37.193 1.00 0.00 ATOM 491 C GLY A 63 5.930 15.369 37.916 1.00 0.00 ATOM 492 N PHE A 64 5.811 15.088 39.214 1.00 0.00 ATOM 493 CA PHE A 64 6.667 14.188 39.926 1.00 0.00 ATOM 494 CB PHE A 64 7.181 14.825 41.226 1.00 0.00 ATOM 495 CG PHE A 64 8.198 15.924 41.013 1.00 0.00 ATOM 496 CD1 PHE A 64 9.510 15.762 41.426 1.00 0.00 ATOM 497 CD2 PHE A 64 7.828 17.124 40.458 1.00 0.00 ATOM 498 CE1 PHE A 64 10.441 16.808 41.280 1.00 0.00 ATOM 499 CE2 PHE A 64 8.741 18.169 40.308 1.00 0.00 ATOM 500 CZ PHE A 64 10.045 18.002 40.704 1.00 0.00 ATOM 501 O PHE A 64 5.146 12.870 41.190 1.00 0.00 ATOM 502 C PHE A 64 5.939 12.901 40.254 1.00 0.00 ATOM 503 N PRO A 65 6.210 11.830 39.485 1.00 0.00 ATOM 504 CA PRO A 65 5.587 10.536 39.808 1.00 0.00 ATOM 505 CB PRO A 65 6.082 9.606 38.709 1.00 0.00 ATOM 506 CG PRO A 65 6.531 10.497 37.575 1.00 0.00 ATOM 507 CD PRO A 65 7.044 11.757 38.263 1.00 0.00 ATOM 508 O PRO A 65 7.179 10.290 41.572 1.00 0.00 ATOM 509 C PRO A 65 6.034 10.075 41.188 1.00 0.00 ATOM 510 N CYS A 66 5.121 9.475 41.942 1.00 0.00 ATOM 511 CA CYS A 66 5.420 9.054 43.308 1.00 0.00 ATOM 512 CB CYS A 66 5.214 10.251 44.258 1.00 0.00 ATOM 513 SG CYS A 66 5.495 9.873 46.026 1.00 0.00 ATOM 514 O CYS A 66 3.296 7.894 43.411 1.00 0.00 ATOM 515 C CYS A 66 4.513 7.875 43.678 1.00 0.00 ATOM 516 N ASN A 67 5.112 6.874 44.329 1.00 0.00 ATOM 517 CA ASN A 67 4.432 5.634 44.727 1.00 0.00 ATOM 518 CB ASN A 67 5.337 4.449 44.349 1.00 0.00 ATOM 519 CG ASN A 67 4.582 3.164 44.245 1.00 0.00 ATOM 520 ND2 ASN A 67 5.212 2.063 44.693 1.00 0.00 ATOM 521 OD1 ASN A 67 3.424 3.147 43.776 1.00 0.00 ATOM 522 O ASN A 67 3.727 4.526 46.756 1.00 0.00 ATOM 523 C ASN A 67 4.051 5.573 46.229 1.00 0.00 ATOM 524 N GLN A 68 4.066 6.708 46.924 1.00 0.00 ATOM 525 CA GLN A 68 3.796 6.702 48.370 1.00 0.00 ATOM 526 CB GLN A 68 4.493 7.896 49.011 1.00 0.00 ATOM 527 CG GLN A 68 5.986 7.727 49.021 1.00 0.00 ATOM 528 CD GLN A 68 6.676 8.817 49.793 1.00 0.00 ATOM 529 OE1 GLN A 68 6.504 9.995 49.495 1.00 0.00 ATOM 530 NE2 GLN A 68 7.457 8.432 50.801 1.00 0.00 ATOM 531 O GLN A 68 2.041 6.576 49.994 1.00 0.00 ATOM 532 C GLN A 68 2.318 6.699 48.800 1.00 0.00 ATOM 533 N PHE A 69 1.395 6.844 47.841 1.00 0.00 ATOM 534 CA PHE A 69 -0.020 7.063 48.118 1.00 0.00 ATOM 535 CB PHE A 69 -0.449 8.459 47.678 1.00 0.00 ATOM 536 CG PHE A 69 0.473 9.540 48.168 1.00 0.00 ATOM 537 CD1 PHE A 69 0.406 9.983 49.486 1.00 0.00 ATOM 538 CD2 PHE A 69 1.469 10.058 47.335 1.00 0.00 ATOM 539 CE1 PHE A 69 1.267 10.952 49.946 1.00 0.00 ATOM 540 CE2 PHE A 69 2.332 11.026 47.805 1.00 0.00 ATOM 541 CZ PHE A 69 2.230 11.464 49.123 1.00 0.00 ATOM 542 O PHE A 69 -1.342 6.085 46.369 1.00 0.00 ATOM 543 C PHE A 69 -0.877 5.973 47.501 1.00 0.00 ATOM 544 N GLY A 70 -1.073 4.903 48.266 1.00 0.00 ATOM 545 CA GLY A 70 -1.820 3.749 47.762 1.00 0.00 ATOM 546 O GLY A 70 -1.539 2.131 46.036 1.00 0.00 ATOM 547 C GLY A 70 -0.996 2.961 46.744 1.00 0.00 ATOM 548 N HIS A 71 0.319 3.207 46.710 1.00 0.00 ATOM 549 CA HIS A 71 1.238 2.601 45.751 1.00 0.00 ATOM 550 CB HIS A 71 1.522 1.138 46.085 1.00 0.00 ATOM 551 CG HIS A 71 2.159 0.918 47.425 1.00 0.00 ATOM 552 CD2 HIS A 71 1.633 0.516 48.607 1.00 0.00 ATOM 553 ND1 HIS A 71 3.519 1.041 47.635 1.00 0.00 ATOM 554 CE1 HIS A 71 3.793 0.755 48.897 1.00 0.00 ATOM 555 NE2 HIS A 71 2.667 0.425 49.506 1.00 0.00 ATOM 556 O HIS A 71 0.726 1.699 43.586 1.00 0.00 ATOM 557 C HIS A 71 0.715 2.698 44.321 1.00 0.00 ATOM 558 N GLN A 72 0.286 3.900 43.915 1.00 0.00 ATOM 559 CA GLN A 72 -0.398 4.065 42.629 1.00 0.00 ATOM 560 CB GLN A 72 -1.599 4.985 42.823 1.00 0.00 ATOM 561 CG GLN A 72 -2.629 4.336 43.722 1.00 0.00 ATOM 562 CD GLN A 72 -3.809 5.186 43.985 1.00 0.00 ATOM 563 OE1 GLN A 72 -3.902 6.286 43.483 1.00 0.00 ATOM 564 NE2 GLN A 72 -4.735 4.679 44.773 1.00 0.00 ATOM 565 O GLN A 72 0.135 5.062 40.467 1.00 0.00 ATOM 566 C GLN A 72 0.551 4.511 41.492 1.00 0.00 ATOM 567 N GLU A 73 1.841 4.280 41.708 1.00 0.00 ATOM 568 CA GLU A 73 2.874 4.447 40.698 1.00 0.00 ATOM 569 CB GLU A 73 3.511 5.833 40.801 1.00 0.00 ATOM 570 CG GLU A 73 4.429 6.162 39.637 1.00 0.00 ATOM 571 CD GLU A 73 3.626 6.268 38.364 1.00 0.00 ATOM 572 OE1 GLU A 73 2.970 7.318 38.208 1.00 0.00 ATOM 573 OE2 GLU A 73 3.608 5.291 37.569 1.00 0.00 ATOM 574 O GLU A 73 5.080 3.656 41.295 1.00 0.00 ATOM 575 C GLU A 73 3.951 3.358 40.883 1.00 0.00 ATOM 576 N ASN A 74 3.597 2.107 40.606 1.00 0.00 ATOM 577 CA ASN A 74 4.560 0.962 40.727 1.00 0.00 ATOM 578 CB ASN A 74 3.814 -0.355 41.070 1.00 0.00 ATOM 579 CG ASN A 74 3.311 -0.409 42.535 1.00 0.00 ATOM 580 ND2 ASN A 74 2.016 -0.627 42.699 1.00 0.00 ATOM 581 OD1 ASN A 74 4.087 -0.277 43.494 1.00 0.00 ATOM 582 O ASN A 74 6.405 -0.033 39.467 1.00 0.00 ATOM 583 C ASN A 74 5.448 0.767 39.471 1.00 0.00 ATOM 584 N CYS A 75 5.117 1.502 38.412 1.00 0.00 ATOM 585 CA CYS A 75 5.900 1.501 37.191 1.00 0.00 ATOM 586 CB CYS A 75 5.305 2.472 36.152 1.00 0.00 ATOM 587 SG CYS A 75 3.938 1.797 35.226 1.00 0.00 ATOM 588 O CYS A 75 7.559 2.821 38.309 1.00 0.00 ATOM 589 C CYS A 75 7.337 1.935 37.481 1.00 0.00 ATOM 590 N GLN A 76 8.279 1.273 36.801 1.00 0.00 ATOM 591 CA GLN A 76 9.618 1.791 36.586 1.00 0.00 ATOM 592 CB GLN A 76 10.501 0.778 35.853 1.00 0.00 ATOM 593 CG GLN A 76 10.684 -0.579 36.545 1.00 0.00 ATOM 594 CD GLN A 76 11.086 -0.446 38.005 1.00 0.00 ATOM 595 OE1 GLN A 76 10.305 0.017 38.850 1.00 0.00 ATOM 596 NE2 GLN A 76 12.310 -0.855 38.313 1.00 0.00 ATOM 597 O GLN A 76 8.507 3.217 34.994 1.00 0.00 ATOM 598 C GLN A 76 9.497 3.033 35.721 1.00 0.00 ATOM 599 N ASN A 77 10.514 3.879 35.790 1.00 0.00 ATOM 600 CA ASN A 77 10.538 5.116 35.032 1.00 0.00 ATOM 601 CB ASN A 77 11.862 5.863 35.253 1.00 0.00 ATOM 602 CG ASN A 77 11.929 6.558 36.605 1.00 0.00 ATOM 603 ND2 ASN A 77 13.141 6.687 37.135 1.00 0.00 ATOM 604 OD1 ASN A 77 10.904 6.985 37.165 1.00 0.00 ATOM 605 O ASN A 77 9.519 5.594 32.938 1.00 0.00 ATOM 606 C ASN A 77 10.302 4.878 33.555 1.00 0.00 ATOM 607 N GLU A 78 10.947 3.847 33.009 1.00 0.00 ATOM 608 CA GLU A 78 10.815 3.479 31.583 1.00 0.00 ATOM 609 CB GLU A 78 11.952 2.514 31.141 1.00 0.00 ATOM 610 CG GLU A 78 12.485 1.555 32.209 1.00 0.00 ATOM 611 CD GLU A 78 13.331 2.277 33.270 1.00 0.00 ATOM 612 OE1 GLU A 78 14.309 2.989 32.936 1.00 0.00 ATOM 613 OE2 GLU A 78 12.998 2.149 34.447 1.00 0.00 ATOM 614 O GLU A 78 9.193 2.670 29.987 1.00 0.00 ATOM 615 C GLU A 78 9.436 2.893 31.166 1.00 0.00 ATOM 616 N GLU A 79 8.551 2.649 32.120 1.00 0.00 ATOM 617 CA GLU A 79 7.211 2.109 31.855 1.00 0.00 ATOM 618 CB GLU A 79 6.921 0.979 32.843 1.00 0.00 ATOM 619 CG GLU A 79 7.889 -0.223 32.720 1.00 0.00 ATOM 620 CD GLU A 79 7.722 -1.246 33.845 1.00 0.00 ATOM 621 OE1 GLU A 79 7.408 -0.835 34.981 1.00 0.00 ATOM 622 OE2 GLU A 79 7.915 -2.458 33.597 1.00 0.00 ATOM 623 O GLU A 79 4.980 2.922 31.402 1.00 0.00 ATOM 624 C GLU A 79 6.080 3.158 31.927 1.00 0.00 ATOM 625 N ILE A 80 6.359 4.304 32.560 1.00 0.00 ATOM 626 CA ILE A 80 5.348 5.345 32.871 1.00 0.00 ATOM 627 CB ILE A 80 5.977 6.482 33.753 1.00 0.00 ATOM 628 CG1 ILE A 80 6.298 5.932 35.157 1.00 0.00 ATOM 629 CG2 ILE A 80 5.041 7.699 33.845 1.00 0.00 ATOM 630 CD1 ILE A 80 6.982 6.902 36.153 1.00 0.00 ATOM 631 O ILE A 80 3.422 5.977 31.572 1.00 0.00 ATOM 632 C ILE A 80 4.650 5.906 31.623 1.00 0.00 ATOM 633 N LEU A 81 5.408 6.275 30.592 1.00 0.00 ATOM 634 CA LEU A 81 4.787 6.849 29.384 1.00 0.00 ATOM 635 CB LEU A 81 5.858 7.393 28.426 1.00 0.00 ATOM 636 CG LEU A 81 6.634 8.604 28.984 1.00 0.00 ATOM 637 CD1 LEU A 81 7.758 9.113 27.964 1.00 0.00 ATOM 638 CD2 LEU A 81 5.624 9.731 29.346 1.00 0.00 ATOM 639 O LEU A 81 2.846 6.185 28.189 1.00 0.00 ATOM 640 C LEU A 81 3.905 5.837 28.680 1.00 0.00 ATOM 641 N ASN A 82 4.352 4.576 28.628 1.00 0.00 ATOM 642 CA ASN A 82 3.538 3.455 28.114 1.00 0.00 ATOM 643 CB ASN A 82 4.334 2.142 28.155 1.00 0.00 ATOM 644 CG ASN A 82 5.300 2.035 27.013 1.00 0.00 ATOM 645 ND2 ASN A 82 6.242 1.085 27.075 1.00 0.00 ATOM 646 OD1 ASN A 82 5.186 2.796 26.069 1.00 0.00 ATOM 647 O ASN A 82 1.195 3.027 28.204 1.00 0.00 ATOM 648 C ASN A 82 2.230 3.244 28.828 1.00 0.00 ATOM 649 N SER A 83 2.292 3.304 30.146 1.00 0.00 ATOM 650 CA SER A 83 1.126 3.149 30.975 1.00 0.00 ATOM 651 CB SER A 83 1.538 3.058 32.438 1.00 0.00 ATOM 652 OG SER A 83 0.437 2.662 33.244 1.00 0.00 ATOM 653 O SER A 83 -1.040 4.083 30.595 1.00 0.00 ATOM 654 C SER A 83 0.161 4.305 30.729 1.00 0.00 ATOM 655 N LEU A 84 0.683 5.535 30.620 1.00 0.00 ATOM 656 CA LEU A 84 -0.185 6.690 30.348 1.00 0.00 ATOM 657 CB LEU A 84 0.578 8.013 30.499 1.00 0.00 ATOM 658 CG LEU A 84 1.078 8.363 31.889 1.00 0.00 ATOM 659 CD1 LEU A 84 2.149 9.522 31.840 1.00 0.00 ATOM 660 CD2 LEU A 84 -0.088 8.658 32.861 1.00 0.00 ATOM 661 O LEU A 84 -1.960 6.953 28.734 1.00 0.00 ATOM 662 C LEU A 84 -0.803 6.595 28.948 1.00 0.00 ATOM 663 N LYS A 85 -0.013 6.102 27.993 1.00 0.00 ATOM 664 CA LYS A 85 -0.418 6.039 26.615 1.00 0.00 ATOM 665 CB LYS A 85 0.802 5.890 25.719 1.00 0.00 ATOM 666 CG LYS A 85 0.494 5.965 24.279 1.00 0.00 ATOM 667 CD LYS A 85 1.752 6.214 23.473 1.00 0.00 ATOM 668 CE LYS A 85 1.520 5.997 21.997 1.00 0.00 ATOM 669 NZ LYS A 85 2.732 6.430 21.233 1.00 0.00 ATOM 670 O LYS A 85 -2.251 5.075 25.448 1.00 0.00 ATOM 671 C LYS A 85 -1.385 4.924 26.312 1.00 0.00 ATOM 672 N TYR A 86 -1.220 3.785 26.983 1.00 0.00 ATOM 673 CA TYR A 86 -1.928 2.577 26.587 1.00 0.00 ATOM 674 CB TYR A 86 -0.933 1.476 26.196 1.00 0.00 ATOM 675 CG TYR A 86 -0.162 1.758 24.929 1.00 0.00 ATOM 676 CD1 TYR A 86 -0.787 1.710 23.683 1.00 0.00 ATOM 677 CD2 TYR A 86 1.185 2.064 24.972 1.00 0.00 ATOM 678 CE1 TYR A 86 -0.083 1.969 22.525 1.00 0.00 ATOM 679 CE2 TYR A 86 1.894 2.323 23.824 1.00 0.00 ATOM 680 CZ TYR A 86 1.259 2.272 22.602 1.00 0.00 ATOM 681 OH TYR A 86 1.978 2.528 21.451 1.00 0.00 ATOM 682 O TYR A 86 -3.688 1.187 27.334 1.00 0.00 ATOM 683 C TYR A 86 -2.879 2.053 27.634 1.00 0.00 ATOM 684 N VAL A 87 -2.790 2.548 28.860 1.00 0.00 ATOM 685 CA VAL A 87 -3.610 1.981 29.944 1.00 0.00 ATOM 686 CB VAL A 87 -2.738 1.329 31.036 1.00 0.00 ATOM 687 CG1 VAL A 87 -3.617 0.751 32.162 1.00 0.00 ATOM 688 CG2 VAL A 87 -1.821 0.271 30.396 1.00 0.00 ATOM 689 O VAL A 87 -5.774 2.935 30.327 1.00 0.00 ATOM 690 C VAL A 87 -4.570 3.032 30.520 1.00 0.00 ATOM 691 N ARG A 88 -4.020 4.024 31.209 1.00 0.00 ATOM 692 CA ARG A 88 -4.816 5.070 31.826 1.00 0.00 ATOM 693 CB ARG A 88 -5.204 4.694 33.256 1.00 0.00 ATOM 694 CG ARG A 88 -6.160 5.722 33.882 1.00 0.00 ATOM 695 CD ARG A 88 -6.327 5.565 35.379 1.00 0.00 ATOM 696 NE ARG A 88 -6.982 4.311 35.736 1.00 0.00 ATOM 697 CZ ARG A 88 -6.996 3.791 36.965 1.00 0.00 ATOM 698 NH1 ARG A 88 -6.424 4.431 37.985 1.00 0.00 ATOM 699 NH2 ARG A 88 -7.595 2.620 37.179 1.00 0.00 ATOM 700 O ARG A 88 -2.929 6.348 32.460 1.00 0.00 ATOM 701 C ARG A 88 -3.988 6.347 31.853 1.00 0.00 ATOM 702 N PRO A 89 -4.464 7.433 31.196 1.00 0.00 ATOM 703 CA PRO A 89 -5.684 7.629 30.411 1.00 0.00 ATOM 704 CB PRO A 89 -5.531 9.065 29.879 1.00 0.00 ATOM 705 CG PRO A 89 -4.615 9.703 30.787 1.00 0.00 ATOM 706 CD PRO A 89 -3.668 8.666 31.238 1.00 0.00 ATOM 707 O PRO A 89 -6.943 6.364 28.821 1.00 0.00 ATOM 708 C PRO A 89 -5.833 6.691 29.226 1.00 0.00 ATOM 709 N GLY A 90 -4.734 6.250 28.643 1.00 0.00 ATOM 710 CA GLY A 90 -4.864 5.360 27.506 1.00 0.00 ATOM 711 O GLY A 90 -5.171 7.399 26.302 1.00 0.00 ATOM 712 C GLY A 90 -5.242 6.171 26.298 1.00 0.00 ATOM 713 N GLY A 91 -5.600 5.468 25.240 1.00 0.00 ATOM 714 CA GLY A 91 -6.080 6.084 24.012 1.00 0.00 ATOM 715 O GLY A 91 -5.424 7.757 22.476 1.00 0.00 ATOM 716 C GLY A 91 -5.060 6.938 23.294 1.00 0.00 ATOM 717 N GLY A 92 -3.780 6.737 23.580 1.00 0.00 ATOM 718 CA GLY A 92 -2.720 7.462 22.864 1.00 0.00 ATOM 719 O GLY A 92 -1.491 9.474 23.062 1.00 0.00 ATOM 720 C GLY A 92 -2.289 8.707 23.588 1.00 0.00 ATOM 721 N TYR A 93 -2.771 8.875 24.820 1.00 0.00 ATOM 722 CA TYR A 93 -2.421 10.019 25.632 1.00 0.00 ATOM 723 CB TYR A 93 -3.044 9.931 27.030 1.00 0.00 ATOM 724 CG TYR A 93 -2.522 10.996 27.937 1.00 0.00 ATOM 725 CD1 TYR A 93 -3.158 12.224 28.029 1.00 0.00 ATOM 726 CD2 TYR A 93 -1.359 10.797 28.682 1.00 0.00 ATOM 727 CE1 TYR A 93 -2.675 13.207 28.844 1.00 0.00 ATOM 728 CE2 TYR A 93 -0.868 11.774 29.480 1.00 0.00 ATOM 729 CZ TYR A 93 -1.517 12.985 29.555 1.00 0.00 ATOM 730 OH TYR A 93 -1.025 13.982 30.374 1.00 0.00 ATOM 731 O TYR A 93 -0.191 9.192 26.096 1.00 0.00 ATOM 732 C TYR A 93 -0.906 10.159 25.768 1.00 0.00 ATOM 733 N GLN A 94 -0.423 11.375 25.536 1.00 0.00 ATOM 734 CA GLN A 94 0.959 11.720 25.811 1.00 0.00 ATOM 735 CB GLN A 94 1.727 11.886 24.509 1.00 0.00 ATOM 736 CG GLN A 94 1.887 10.581 23.760 1.00 0.00 ATOM 737 CD GLN A 94 2.564 10.736 22.410 1.00 0.00 ATOM 738 OE1 GLN A 94 3.391 11.617 22.213 1.00 0.00 ATOM 739 NE2 GLN A 94 2.212 9.866 21.477 1.00 0.00 ATOM 740 O GLN A 94 0.172 13.921 26.330 1.00 0.00 ATOM 741 C GLN A 94 0.979 13.015 26.603 1.00 0.00 ATOM 742 N PRO A 95 1.875 13.108 27.604 1.00 0.00 ATOM 743 CA PRO A 95 1.998 14.389 28.306 1.00 0.00 ATOM 744 CB PRO A 95 2.874 14.062 29.535 1.00 0.00 ATOM 745 CG PRO A 95 3.308 12.668 29.408 1.00 0.00 ATOM 746 CD PRO A 95 2.769 12.069 28.146 1.00 0.00 ATOM 747 O PRO A 95 3.550 15.214 26.694 1.00 0.00 ATOM 748 C PRO A 95 2.634 15.488 27.441 1.00 0.00 ATOM 749 N THR A 96 2.137 16.714 27.553 1.00 0.00 ATOM 750 CA THR A 96 2.729 17.870 26.870 1.00 0.00 ATOM 751 CB THR A 96 1.632 18.810 26.250 1.00 0.00 ATOM 752 CG2 THR A 96 0.832 18.087 25.209 1.00 0.00 ATOM 753 OG1 THR A 96 0.750 19.271 27.268 1.00 0.00 ATOM 754 O THR A 96 4.183 19.674 27.534 1.00 0.00 ATOM 755 C THR A 96 3.592 18.657 27.867 1.00 0.00 ATOM 756 N PHE A 97 3.683 18.150 29.090 1.00 0.00 ATOM 757 CA PHE A 97 4.431 18.798 30.150 1.00 0.00 ATOM 758 CB PHE A 97 3.490 19.151 31.315 1.00 0.00 ATOM 759 CG PHE A 97 2.887 17.964 31.979 1.00 0.00 ATOM 760 CD1 PHE A 97 3.527 17.356 33.057 1.00 0.00 ATOM 761 CD2 PHE A 97 1.690 17.434 31.524 1.00 0.00 ATOM 762 CE1 PHE A 97 2.979 16.247 33.662 1.00 0.00 ATOM 763 CE2 PHE A 97 1.131 16.304 32.126 1.00 0.00 ATOM 764 CZ PHE A 97 1.778 15.714 33.187 1.00 0.00 ATOM 765 O PHE A 97 5.615 16.702 30.083 1.00 0.00 ATOM 766 C PHE A 97 5.560 17.833 30.551 1.00 0.00 ATOM 767 N THR A 98 6.439 18.285 31.430 1.00 0.00 ATOM 768 CA THR A 98 7.626 17.551 31.788 1.00 0.00 ATOM 769 CB THR A 98 8.736 18.539 32.216 1.00 0.00 ATOM 770 CG2 THR A 98 10.089 17.843 32.372 1.00 0.00 ATOM 771 OG1 THR A 98 8.802 19.620 31.269 1.00 0.00 ATOM 772 O THR A 98 6.844 17.127 33.984 1.00 0.00 ATOM 773 C THR A 98 7.306 16.646 32.958 1.00 0.00 ATOM 774 N LEU A 99 7.559 15.351 32.793 1.00 0.00 ATOM 775 CA LEU A 99 7.539 14.381 33.872 1.00 0.00 ATOM 776 CB LEU A 99 6.917 13.050 33.455 1.00 0.00 ATOM 777 CG LEU A 99 5.418 12.954 33.319 1.00 0.00 ATOM 778 CD1 LEU A 99 5.088 11.634 32.628 1.00 0.00 ATOM 779 CD2 LEU A 99 4.717 13.100 34.698 1.00 0.00 ATOM 780 O LEU A 99 9.813 13.885 33.423 1.00 0.00 ATOM 781 C LEU A 99 8.938 14.085 34.273 1.00 0.00 ATOM 782 N VAL A 100 9.137 13.970 35.578 1.00 0.00 ATOM 783 CA VAL A 100 10.446 13.684 36.091 1.00 0.00 ATOM 784 CB VAL A 100 10.851 14.740 37.155 1.00 0.00 ATOM 785 CG1 VAL A 100 10.838 16.157 36.503 1.00 0.00 ATOM 786 CG2 VAL A 100 9.960 14.675 38.304 1.00 0.00 ATOM 787 O VAL A 100 9.512 11.513 36.581 1.00 0.00 ATOM 788 C VAL A 100 10.507 12.232 36.592 1.00 0.00 ATOM 789 N GLN A 101 11.697 11.799 36.961 1.00 0.00 ATOM 790 CA GLN A 101 11.879 10.463 37.494 1.00 0.00 ATOM 791 CB GLN A 101 13.338 10.199 37.702 1.00 0.00 ATOM 792 CG GLN A 101 14.058 9.928 36.412 1.00 0.00 ATOM 793 CD GLN A 101 15.529 9.728 36.620 1.00 0.00 ATOM 794 OE1 GLN A 101 16.083 10.116 37.651 1.00 0.00 ATOM 795 NE2 GLN A 101 16.177 9.134 35.637 1.00 0.00 ATOM 796 O GLN A 101 10.962 11.210 39.582 1.00 0.00 ATOM 797 C GLN A 101 11.113 10.276 38.797 1.00 0.00 ATOM 798 N LYS A 102 10.595 9.066 38.991 1.00 0.00 ATOM 799 CA LYS A 102 9.835 8.738 40.170 1.00 0.00 ATOM 800 CB LYS A 102 9.445 7.253 40.118 1.00 0.00 ATOM 801 CG LYS A 102 8.665 6.775 41.294 1.00 0.00 ATOM 802 CD LYS A 102 7.906 5.467 40.991 1.00 0.00 ATOM 803 CE LYS A 102 8.835 4.305 40.767 1.00 0.00 ATOM 804 NZ LYS A 102 8.104 3.028 40.944 1.00 0.00 ATOM 805 O LYS A 102 11.880 8.888 41.480 1.00 0.00 ATOM 806 C LYS A 102 10.664 9.094 41.430 1.00 0.00 ATOM 807 N CYS A 103 9.991 9.649 42.426 1.00 0.00 ATOM 808 CA CYS A 103 10.632 10.073 43.679 1.00 0.00 ATOM 809 CB CYS A 103 10.991 11.573 43.604 1.00 0.00 ATOM 810 SG CYS A 103 9.604 12.673 43.661 1.00 0.00 ATOM 811 O CYS A 103 8.616 9.311 44.725 1.00 0.00 ATOM 812 C CYS A 103 9.729 9.815 44.874 1.00 0.00 ATOM 813 N GLU A 104 10.251 10.123 46.062 1.00 0.00 ATOM 814 CA GLU A 104 9.463 10.242 47.279 1.00 0.00 ATOM 815 CB GLU A 104 10.108 9.449 48.419 1.00 0.00 ATOM 816 CG GLU A 104 9.805 7.999 48.264 1.00 0.00 ATOM 817 CD GLU A 104 10.579 7.095 49.183 1.00 0.00 ATOM 818 OE1 GLU A 104 11.249 7.589 50.110 1.00 0.00 ATOM 819 OE2 GLU A 104 10.466 5.869 48.989 1.00 0.00 ATOM 820 O GLU A 104 10.162 12.551 47.373 1.00 0.00 ATOM 821 C GLU A 104 9.269 11.726 47.595 1.00 0.00 ATOM 822 N VAL A 105 8.046 12.091 47.977 1.00 0.00 ATOM 823 CA VAL A 105 7.704 13.485 48.328 1.00 0.00 ATOM 824 CB VAL A 105 6.364 13.975 47.653 1.00 0.00 ATOM 825 CG1 VAL A 105 6.512 13.983 46.060 1.00 0.00 ATOM 826 CG2 VAL A 105 5.143 13.158 48.129 1.00 0.00 ATOM 827 O VAL A 105 7.672 14.837 50.310 1.00 0.00 ATOM 828 C VAL A 105 7.638 13.684 49.839 1.00 0.00 ATOM 829 N ASN A 106 7.520 12.564 50.580 1.00 0.00 ATOM 830 CA ASN A 106 7.432 12.571 52.048 1.00 0.00 ATOM 831 CB ASN A 106 6.055 12.134 52.599 1.00 0.00 ATOM 832 CG ASN A 106 4.937 13.048 52.240 1.00 0.00 ATOM 833 ND2 ASN A 106 3.722 12.478 52.079 1.00 0.00 ATOM 834 OD1 ASN A 106 5.121 14.252 52.145 1.00 0.00 ATOM 835 O ASN A 106 8.958 10.706 52.009 1.00 0.00 ATOM 836 C ASN A 106 8.508 11.658 52.642 1.00 0.00 ATOM 837 N GLY A 107 8.918 11.989 53.862 1.00 0.00 ATOM 838 CA GLY A 107 9.821 11.155 54.627 1.00 0.00 ATOM 839 O GLY A 107 11.658 12.465 53.784 1.00 0.00 ATOM 840 C GLY A 107 11.293 11.497 54.448 1.00 0.00 ATOM 841 N GLN A 108 12.120 10.661 55.062 1.00 0.00 ATOM 842 CA GLN A 108 13.567 10.818 55.087 1.00 0.00 ATOM 843 CB GLN A 108 14.165 9.585 55.753 1.00 0.00 ATOM 844 CG GLN A 108 15.597 9.738 56.177 1.00 0.00 ATOM 845 CD GLN A 108 16.044 8.564 57.026 1.00 0.00 ATOM 846 OE1 GLN A 108 15.459 7.473 56.962 1.00 0.00 ATOM 847 NE2 GLN A 108 17.070 8.781 57.839 1.00 0.00 ATOM 848 O GLN A 108 15.139 11.803 53.568 1.00 0.00 ATOM 849 C GLN A 108 14.212 11.030 53.696 1.00 0.00 ATOM 850 N ASN A 109 13.706 10.364 52.669 1.00 0.00 ATOM 851 CA ASN A 109 14.262 10.485 51.311 1.00 0.00 ATOM 852 CB ASN A 109 14.410 9.096 50.705 1.00 0.00 ATOM 853 CG ASN A 109 15.254 8.203 51.564 1.00 0.00 ATOM 854 ND2 ASN A 109 16.417 8.707 51.995 1.00 0.00 ATOM 855 OD1 ASN A 109 14.846 7.096 51.890 1.00 0.00 ATOM 856 O ASN A 109 13.522 11.194 49.163 1.00 0.00 ATOM 857 C ASN A 109 13.461 11.359 50.366 1.00 0.00 ATOM 858 N GLU A 110 12.695 12.281 50.910 1.00 0.00 ATOM 859 CA GLU A 110 11.848 13.129 50.082 1.00 0.00 ATOM 860 CB GLU A 110 10.983 14.015 50.945 1.00 0.00 ATOM 861 CG GLU A 110 11.750 14.983 51.881 1.00 0.00 ATOM 862 CD GLU A 110 10.828 15.717 52.859 1.00 0.00 ATOM 863 OE1 GLU A 110 9.661 15.303 53.025 1.00 0.00 ATOM 864 OE2 GLU A 110 11.267 16.711 53.462 1.00 0.00 ATOM 865 O GLU A 110 13.811 14.376 49.467 1.00 0.00 ATOM 866 C GLU A 110 12.713 13.984 49.135 1.00 0.00 ATOM 867 N HIS A 111 12.195 14.265 47.956 1.00 0.00 ATOM 868 CA HIS A 111 12.942 14.970 46.937 1.00 0.00 ATOM 869 CB HIS A 111 12.129 14.999 45.646 1.00 0.00 ATOM 870 CG HIS A 111 12.904 15.447 44.455 1.00 0.00 ATOM 871 CD2 HIS A 111 13.287 14.780 43.342 1.00 0.00 ATOM 872 ND1 HIS A 111 13.382 16.734 44.321 1.00 0.00 ATOM 873 CE1 HIS A 111 14.047 16.832 43.185 1.00 0.00 ATOM 874 NE2 HIS A 111 13.979 15.669 42.557 1.00 0.00 ATOM 875 O HIS A 111 12.351 17.018 48.049 1.00 0.00 ATOM 876 C HIS A 111 13.218 16.401 47.440 1.00 0.00 ATOM 877 N PRO A 112 14.438 16.921 47.212 1.00 0.00 ATOM 878 CA PRO A 112 14.711 18.303 47.631 1.00 0.00 ATOM 879 CB PRO A 112 16.092 18.585 47.035 1.00 0.00 ATOM 880 CG PRO A 112 16.736 17.273 46.940 1.00 0.00 ATOM 881 CD PRO A 112 15.646 16.247 46.700 1.00 0.00 ATOM 882 O PRO A 112 13.478 20.325 47.930 1.00 0.00 ATOM 883 C PRO A 112 13.688 19.351 47.199 1.00 0.00 ATOM 884 N VAL A 113 13.050 19.159 46.045 1.00 0.00 ATOM 885 CA VAL A 113 12.028 20.115 45.544 1.00 0.00 ATOM 886 CB VAL A 113 11.597 19.744 44.106 1.00 0.00 ATOM 887 CG1 VAL A 113 10.349 20.493 43.663 1.00 0.00 ATOM 888 CG2 VAL A 113 12.769 19.939 43.134 1.00 0.00 ATOM 889 O VAL A 113 10.313 21.228 46.838 1.00 0.00 ATOM 890 C VAL A 113 10.829 20.149 46.491 1.00 0.00 ATOM 891 N PHE A 114 10.433 18.964 46.950 1.00 0.00 ATOM 892 CA PHE A 114 9.315 18.829 47.900 1.00 0.00 ATOM 893 CB PHE A 114 8.641 17.459 47.778 1.00 0.00 ATOM 894 CG PHE A 114 7.706 17.393 46.595 1.00 0.00 ATOM 895 CD1 PHE A 114 8.197 17.166 45.321 1.00 0.00 ATOM 896 CD2 PHE A 114 6.348 17.652 46.749 1.00 0.00 ATOM 897 CE1 PHE A 114 7.346 17.161 44.232 1.00 0.00 ATOM 898 CE2 PHE A 114 5.496 17.644 45.668 1.00 0.00 ATOM 899 CZ PHE A 114 5.977 17.403 44.406 1.00 0.00 ATOM 900 O PHE A 114 8.874 19.851 49.986 1.00 0.00 ATOM 901 C PHE A 114 9.675 19.214 49.322 1.00 0.00 ATOM 902 N ALA A 115 10.902 18.940 49.762 1.00 0.00 ATOM 903 CA ALA A 115 11.355 19.520 51.040 1.00 0.00 ATOM 904 CB ALA A 115 12.771 19.064 51.394 1.00 0.00 ATOM 905 O ALA A 115 10.717 21.652 52.004 1.00 0.00 ATOM 906 C ALA A 115 11.228 21.055 51.034 1.00 0.00 ATOM 907 N TYR A 116 11.628 21.677 49.919 1.00 0.00 ATOM 908 CA TYR A 116 11.607 23.112 49.787 1.00 0.00 ATOM 909 CB TYR A 116 12.355 23.555 48.504 1.00 0.00 ATOM 910 CG TYR A 116 12.140 25.034 48.170 1.00 0.00 ATOM 911 CD1 TYR A 116 12.947 26.009 48.724 1.00 0.00 ATOM 912 CD2 TYR A 116 11.113 25.444 47.323 1.00 0.00 ATOM 913 CE1 TYR A 116 12.766 27.344 48.442 1.00 0.00 ATOM 914 CE2 TYR A 116 10.937 26.789 47.008 1.00 0.00 ATOM 915 CZ TYR A 116 11.760 27.730 47.588 1.00 0.00 ATOM 916 OH TYR A 116 11.593 29.070 47.320 1.00 0.00 ATOM 917 O TYR A 116 9.791 24.564 50.486 1.00 0.00 ATOM 918 C TYR A 116 10.152 23.639 49.764 1.00 0.00 ATOM 919 N LEU A 117 9.335 23.043 48.929 1.00 0.00 ATOM 920 CA LEU A 117 7.967 23.531 48.725 1.00 0.00 ATOM 921 CB LEU A 117 7.312 22.849 47.516 1.00 0.00 ATOM 922 CG LEU A 117 7.840 23.231 46.123 1.00 0.00 ATOM 923 CD1 LEU A 117 7.247 22.275 45.060 1.00 0.00 ATOM 924 CD2 LEU A 117 7.580 24.705 45.732 1.00 0.00 ATOM 925 O LEU A 117 6.306 24.243 50.291 1.00 0.00 ATOM 926 C LEU A 117 7.102 23.357 49.976 1.00 0.00 ATOM 927 N LYS A 118 7.255 22.243 50.693 1.00 0.00 ATOM 928 CA LYS A 118 6.447 22.002 51.895 1.00 0.00 ATOM 929 CB LYS A 118 6.496 20.540 52.341 1.00 0.00 ATOM 930 CG LYS A 118 5.935 19.577 51.324 1.00 0.00 ATOM 931 CD LYS A 118 5.877 18.151 51.850 1.00 0.00 ATOM 932 CE LYS A 118 7.205 17.559 52.093 1.00 0.00 ATOM 933 NZ LYS A 118 7.131 16.168 52.672 1.00 0.00 ATOM 934 O LYS A 118 6.058 23.217 53.947 1.00 0.00 ATOM 935 C LYS A 118 6.852 22.918 53.050 1.00 0.00 ATOM 936 N ASP A 119 8.092 23.354 53.008 1.00 0.00 ATOM 937 CA ASP A 119 8.606 24.314 53.948 1.00 0.00 ATOM 938 CB ASP A 119 10.138 24.361 53.851 1.00 0.00 ATOM 939 CG ASP A 119 10.740 25.218 54.927 1.00 0.00 ATOM 940 OD1 ASP A 119 10.608 24.845 56.119 1.00 0.00 ATOM 941 OD2 ASP A 119 11.324 26.267 54.580 1.00 0.00 ATOM 942 O ASP A 119 7.748 26.431 54.610 1.00 0.00 ATOM 943 C ASP A 119 8.062 25.705 53.683 1.00 0.00 ATOM 944 N LYS A 120 7.997 26.093 52.405 1.00 0.00 ATOM 945 CA LYS A 120 7.443 27.395 52.051 1.00 0.00 ATOM 946 CB LYS A 120 7.876 27.786 50.649 1.00 0.00 ATOM 947 CG LYS A 120 9.359 27.930 50.518 1.00 0.00 ATOM 948 CD LYS A 120 9.876 29.077 51.362 1.00 0.00 ATOM 949 CE LYS A 120 11.305 29.415 51.043 1.00 0.00 ATOM 950 NZ LYS A 120 11.602 30.863 51.363 1.00 0.00 ATOM 951 O LYS A 120 5.343 28.395 52.497 1.00 0.00 ATOM 952 C LYS A 120 5.935 27.397 52.157 1.00 0.00 ATOM 953 N LEU A 121 5.306 26.262 51.878 1.00 0.00 ATOM 954 CA LEU A 121 3.850 26.186 51.830 1.00 0.00 ATOM 955 CB LEU A 121 3.380 26.123 50.367 1.00 0.00 ATOM 956 CG LEU A 121 3.638 27.307 49.417 1.00 0.00 ATOM 957 CD1 LEU A 121 3.447 26.809 47.988 1.00 0.00 ATOM 958 CD2 LEU A 121 2.758 28.551 49.771 1.00 0.00 ATOM 959 O LEU A 121 3.093 23.910 52.008 1.00 0.00 ATOM 960 C LEU A 121 3.404 24.949 52.616 1.00 0.00 ATOM 961 N PRO A 122 3.412 25.043 53.971 1.00 0.00 ATOM 962 CA PRO A 122 3.219 23.878 54.853 1.00 0.00 ATOM 963 CB PRO A 122 3.631 24.408 56.239 1.00 0.00 ATOM 964 CG PRO A 122 3.575 25.882 56.164 1.00 0.00 ATOM 965 CD PRO A 122 3.609 26.299 54.725 1.00 0.00 ATOM 966 O PRO A 122 1.631 22.154 55.370 1.00 0.00 ATOM 967 C PRO A 122 1.799 23.264 54.872 1.00 0.00 ATOM 968 N TYR A 123 0.781 23.955 54.343 1.00 0.00 ATOM 969 CA TYR A 123 -0.524 23.310 54.135 1.00 0.00 ATOM 970 CB TYR A 123 -1.396 23.406 55.394 1.00 0.00 ATOM 971 CG TYR A 123 -1.692 24.812 55.741 1.00 0.00 ATOM 972 CD1 TYR A 123 -2.725 25.509 55.067 1.00 0.00 ATOM 973 CD2 TYR A 123 -0.936 25.481 56.695 1.00 0.00 ATOM 974 CE1 TYR A 123 -3.004 26.844 55.339 1.00 0.00 ATOM 975 CE2 TYR A 123 -1.210 26.840 56.991 1.00 0.00 ATOM 976 CZ TYR A 123 -2.244 27.506 56.306 1.00 0.00 ATOM 977 OH TYR A 123 -2.531 28.821 56.583 1.00 0.00 ATOM 978 O TYR A 123 -1.027 24.941 52.490 1.00 0.00 ATOM 979 C TYR A 123 -1.276 23.834 52.930 1.00 0.00 ATOM 980 N PRO A 124 -2.200 23.019 52.394 1.00 0.00 ATOM 981 CA PRO A 124 -3.055 23.416 51.304 1.00 0.00 ATOM 982 CB PRO A 124 -3.829 22.123 50.956 1.00 0.00 ATOM 983 CG PRO A 124 -2.977 21.022 51.478 1.00 0.00 ATOM 984 CD PRO A 124 -2.446 21.614 52.761 1.00 0.00 ATOM 985 O PRO A 124 -4.691 24.421 52.712 1.00 0.00 ATOM 986 C PRO A 124 -4.023 24.515 51.699 1.00 0.00 ATOM 987 N TYR A 125 -4.084 25.532 50.861 1.00 0.00 ATOM 988 CA TYR A 125 -4.948 26.676 51.039 1.00 0.00 ATOM 989 CB TYR A 125 -4.802 27.583 49.818 1.00 0.00 ATOM 990 CG TYR A 125 -5.504 28.904 49.906 1.00 0.00 ATOM 991 CD1 TYR A 125 -5.010 29.905 50.715 1.00 0.00 ATOM 992 CD2 TYR A 125 -6.627 29.172 49.131 1.00 0.00 ATOM 993 CE1 TYR A 125 -5.627 31.141 50.790 1.00 0.00 ATOM 994 CE2 TYR A 125 -7.260 30.414 49.199 1.00 0.00 ATOM 995 CZ TYR A 125 -6.742 31.391 50.037 1.00 0.00 ATOM 996 OH TYR A 125 -7.336 32.632 50.126 1.00 0.00 ATOM 997 O TYR A 125 -7.059 26.889 52.061 1.00 0.00 ATOM 998 C TYR A 125 -6.407 26.308 51.216 1.00 0.00 ATOM 999 N ASP A 126 -6.898 25.376 50.397 1.00 0.00 ATOM 1000 CA ASP A 126 -8.322 24.978 50.332 1.00 0.00 ATOM 1001 CB ASP A 126 -8.651 24.354 48.959 1.00 0.00 ATOM 1002 CG ASP A 126 -7.750 23.152 48.628 1.00 0.00 ATOM 1003 OD1 ASP A 126 -8.239 22.058 48.293 1.00 0.00 ATOM 1004 OD2 ASP A 126 -6.532 23.317 48.725 1.00 0.00 ATOM 1005 O ASP A 126 -9.860 23.734 51.653 1.00 0.00 ATOM 1006 C ASP A 126 -8.700 23.959 51.404 1.00 0.00 ATOM 1007 N ASP A 127 -7.713 23.282 51.976 1.00 0.00 ATOM 1008 CA ASP A 127 -7.974 22.256 52.978 1.00 0.00 ATOM 1009 CB ASP A 127 -8.305 20.913 52.335 1.00 0.00 ATOM 1010 CG ASP A 127 -8.570 19.820 53.375 1.00 0.00 ATOM 1011 OD1 ASP A 127 -8.364 20.074 54.586 1.00 0.00 ATOM 1012 OD2 ASP A 127 -8.987 18.716 52.983 1.00 0.00 ATOM 1013 O ASP A 127 -5.864 21.264 53.601 1.00 0.00 ATOM 1014 C ASP A 127 -6.723 22.143 53.828 1.00 0.00 ATOM 1015 N PRO A 128 -6.592 23.055 54.792 1.00 0.00 ATOM 1016 CA PRO A 128 -5.383 23.102 55.611 1.00 0.00 ATOM 1017 CB PRO A 128 -5.525 24.429 56.387 1.00 0.00 ATOM 1018 CG PRO A 128 -6.755 25.100 55.901 1.00 0.00 ATOM 1019 CD PRO A 128 -7.574 24.082 55.171 1.00 0.00 ATOM 1020 O PRO A 128 -4.180 21.725 57.094 1.00 0.00 ATOM 1021 C PRO A 128 -5.249 21.942 56.619 1.00 0.00 ATOM 1022 N PHE A 129 -6.310 21.225 56.967 1.00 0.00 ATOM 1023 CA PHE A 129 -6.251 20.281 58.109 1.00 0.00 ATOM 1024 CB PHE A 129 -7.411 20.561 59.036 1.00 0.00 ATOM 1025 CG PHE A 129 -7.512 22.000 59.429 1.00 0.00 ATOM 1026 CD1 PHE A 129 -8.585 22.779 59.000 1.00 0.00 ATOM 1027 CD2 PHE A 129 -6.488 22.594 60.182 1.00 0.00 ATOM 1028 CE1 PHE A 129 -8.661 24.131 59.353 1.00 0.00 ATOM 1029 CE2 PHE A 129 -6.550 23.939 60.535 1.00 0.00 ATOM 1030 CZ PHE A 129 -7.643 24.709 60.124 1.00 0.00 ATOM 1031 O PHE A 129 -5.733 18.011 58.599 1.00 0.00 ATOM 1032 C PHE A 129 -6.236 18.792 57.797 1.00 0.00 ATOM 1033 N SER A 130 -6.813 18.374 56.667 1.00 0.00 ATOM 1034 CA SER A 130 -6.940 16.941 56.387 1.00 0.00 ATOM 1035 CB SER A 130 -7.795 16.682 55.152 1.00 0.00 ATOM 1036 OG SER A 130 -9.033 17.292 55.281 1.00 0.00 ATOM 1037 O SER A 130 -4.740 17.087 55.522 1.00 0.00 ATOM 1038 C SER A 130 -5.565 16.399 56.119 1.00 0.00 ATOM 1039 N LEU A 131 -5.301 15.185 56.579 1.00 0.00 ATOM 1040 CA LEU A 131 -4.071 14.490 56.215 1.00 0.00 ATOM 1041 CB LEU A 131 -3.075 14.423 57.388 1.00 0.00 ATOM 1042 CG LEU A 131 -1.641 13.920 57.087 1.00 0.00 ATOM 1043 CD1 LEU A 131 -0.983 14.695 55.905 1.00 0.00 ATOM 1044 CD2 LEU A 131 -0.755 13.949 58.351 1.00 0.00 ATOM 1045 O LEU A 131 -3.933 12.767 54.566 1.00 0.00 ATOM 1046 C LEU A 131 -4.391 13.095 55.644 1.00 0.00 ATOM 1047 N MET A 132 -5.160 12.281 56.359 1.00 0.00 ATOM 1048 CA MET A 132 -5.485 10.922 55.896 1.00 0.00 ATOM 1049 CB MET A 132 -4.252 9.990 56.020 1.00 0.00 ATOM 1050 CG MET A 132 -4.312 8.738 55.140 1.00 0.00 ATOM 1051 SD MET A 132 -3.804 9.064 53.419 1.00 0.00 ATOM 1052 CE MET A 132 -2.005 9.301 53.539 1.00 0.00 ATOM 1053 O MET A 132 -6.624 10.383 57.899 1.00 0.00 ATOM 1054 C MET A 132 -6.639 10.343 56.700 1.00 0.00 ATOM 1055 N THR A 133 -7.615 9.757 56.034 1.00 0.00 ATOM 1056 CA THR A 133 -8.703 9.099 56.733 1.00 0.00 ATOM 1057 CB THR A 133 -9.902 8.925 55.791 1.00 0.00 ATOM 1058 CG2 THR A 133 -11.109 8.262 56.514 1.00 0.00 ATOM 1059 OG1 THR A 133 -10.287 10.226 55.347 1.00 0.00 ATOM 1060 O THR A 133 -8.405 7.492 58.520 1.00 0.00 ATOM 1061 C THR A 133 -8.210 7.762 57.339 1.00 0.00 ATOM 1062 N ASP A 134 -7.528 6.962 56.538 1.00 0.00 ATOM 1063 CA ASP A 134 -7.069 5.646 56.961 1.00 0.00 ATOM 1064 CB ASP A 134 -7.302 4.630 55.836 1.00 0.00 ATOM 1065 CG ASP A 134 -6.753 3.232 56.153 1.00 0.00 ATOM 1066 OD1 ASP A 134 -6.347 2.957 57.316 1.00 0.00 ATOM 1067 OD2 ASP A 134 -6.747 2.400 55.214 1.00 0.00 ATOM 1068 O ASP A 134 -4.753 5.908 56.438 1.00 0.00 ATOM 1069 C ASP A 134 -5.587 5.730 57.322 1.00 0.00 ATOM 1070 N PRO A 135 -5.255 5.622 58.630 1.00 0.00 ATOM 1071 CA PRO A 135 -3.883 5.812 59.081 1.00 0.00 ATOM 1072 CB PRO A 135 -4.009 5.720 60.613 1.00 0.00 ATOM 1073 CG PRO A 135 -5.205 4.810 60.810 1.00 0.00 ATOM 1074 CD PRO A 135 -6.149 5.314 59.760 1.00 0.00 ATOM 1075 O PRO A 135 -1.713 5.025 58.445 1.00 0.00 ATOM 1076 C PRO A 135 -2.912 4.770 58.502 1.00 0.00 ATOM 1077 N LYS A 136 -3.435 3.630 58.036 1.00 0.00 ATOM 1078 CA LYS A 136 -2.613 2.593 57.415 1.00 0.00 ATOM 1079 CB LYS A 136 -3.432 1.333 57.126 1.00 0.00 ATOM 1080 CG LYS A 136 -3.785 0.560 58.367 1.00 0.00 ATOM 1081 CD LYS A 136 -4.270 -0.888 58.003 1.00 0.00 ATOM 1082 CE LYS A 136 -5.387 -0.921 56.920 1.00 0.00 ATOM 1083 NZ LYS A 136 -6.596 -0.086 57.260 1.00 0.00 ATOM 1084 O LYS A 136 -0.966 2.440 55.739 1.00 0.00 ATOM 1085 C LYS A 136 -1.959 3.025 56.120 1.00 0.00 ATOM 1086 N LEU A 137 -2.531 4.037 55.466 1.00 0.00 ATOM 1087 CA LEU A 137 -2.012 4.608 54.221 1.00 0.00 ATOM 1088 CB LEU A 137 -3.141 5.305 53.438 1.00 0.00 ATOM 1089 CG LEU A 137 -4.270 4.398 52.918 1.00 0.00 ATOM 1090 CD1 LEU A 137 -5.455 5.208 52.295 1.00 0.00 ATOM 1091 CD2 LEU A 137 -3.736 3.351 51.926 1.00 0.00 ATOM 1092 O LEU A 137 -0.171 5.952 53.460 1.00 0.00 ATOM 1093 C LEU A 137 -0.850 5.565 54.432 1.00 0.00 ATOM 1094 N ILE A 138 -0.556 5.888 55.686 1.00 0.00 ATOM 1095 CA ILE A 138 0.660 6.642 56.010 1.00 0.00 ATOM 1096 CB ILE A 138 0.468 7.528 57.250 1.00 0.00 ATOM 1097 CG1 ILE A 138 -0.687 8.482 57.035 1.00 0.00 ATOM 1098 CG2 ILE A 138 1.730 8.337 57.534 1.00 0.00 ATOM 1099 CD1 ILE A 138 -1.097 9.207 58.294 1.00 0.00 ATOM 1100 O ILE A 138 1.878 4.913 57.199 1.00 0.00 ATOM 1101 C ILE A 138 1.807 5.640 56.198 1.00 0.00 ATOM 1102 N ILE A 139 2.682 5.581 55.203 1.00 0.00 ATOM 1103 CA ILE A 139 3.639 4.516 55.119 1.00 0.00 ATOM 1104 CB ILE A 139 3.427 3.637 53.848 1.00 0.00 ATOM 1105 CG1 ILE A 139 3.558 4.466 52.563 1.00 0.00 ATOM 1106 CG2 ILE A 139 2.059 2.838 53.954 1.00 0.00 ATOM 1107 CD1 ILE A 139 3.693 3.624 51.283 1.00 0.00 ATOM 1108 O ILE A 139 5.971 4.169 55.355 1.00 0.00 ATOM 1109 C ILE A 139 5.081 4.995 55.219 1.00 0.00 ATOM 1110 N TRP A 140 5.277 6.312 55.238 1.00 0.00 ATOM 1111 CA TRP A 140 6.598 6.921 55.237 1.00 0.00 ATOM 1112 CB TRP A 140 6.630 8.145 54.275 1.00 0.00 ATOM 1113 CG TRP A 140 5.605 9.143 54.585 1.00 0.00 ATOM 1114 CD1 TRP A 140 5.715 10.184 55.476 1.00 0.00 ATOM 1115 CD2 TRP A 140 4.255 9.186 54.087 1.00 0.00 ATOM 1116 CE2 TRP A 140 3.604 10.257 54.737 1.00 0.00 ATOM 1117 CE3 TRP A 140 3.527 8.400 53.182 1.00 0.00 ATOM 1118 NE1 TRP A 140 4.518 10.851 55.565 1.00 0.00 ATOM 1119 CZ2 TRP A 140 2.277 10.612 54.460 1.00 0.00 ATOM 1120 CZ3 TRP A 140 2.184 8.754 52.914 1.00 0.00 ATOM 1121 CH2 TRP A 140 1.585 9.843 53.561 1.00 0.00 ATOM 1122 O TRP A 140 6.292 7.295 57.615 1.00 0.00 ATOM 1123 C TRP A 140 7.060 7.302 56.650 1.00 0.00 ATOM 1124 N SER A 141 8.335 7.658 56.744 1.00 0.00 ATOM 1125 CA SER A 141 8.964 8.000 57.992 1.00 0.00 ATOM 1126 CB SER A 141 9.521 6.734 58.659 1.00 0.00 ATOM 1127 OG SER A 141 10.096 7.073 59.916 1.00 0.00 ATOM 1128 O SER A 141 10.874 8.902 56.830 1.00 0.00 ATOM 1129 C SER A 141 10.084 9.041 57.748 1.00 0.00 ATOM 1130 N PRO A 142 10.126 10.125 58.541 1.00 0.00 ATOM 1131 CA PRO A 142 9.139 10.494 59.540 1.00 0.00 ATOM 1132 CB PRO A 142 9.877 11.521 60.398 1.00 0.00 ATOM 1133 CG PRO A 142 10.812 12.199 59.465 1.00 0.00 ATOM 1134 CD PRO A 142 11.214 11.118 58.449 1.00 0.00 ATOM 1135 O PRO A 142 7.902 11.496 57.706 1.00 0.00 ATOM 1136 C PRO A 142 7.904 11.107 58.886 1.00 0.00 ATOM 1137 N VAL A 143 6.848 11.182 59.678 1.00 0.00 ATOM 1138 CA VAL A 143 5.609 11.855 59.309 1.00 0.00 ATOM 1139 CB VAL A 143 4.391 11.068 59.832 1.00 0.00 ATOM 1140 CG1 VAL A 143 3.062 11.608 59.232 1.00 0.00 ATOM 1141 CG2 VAL A 143 4.574 9.556 59.558 1.00 0.00 ATOM 1142 O VAL A 143 5.971 13.438 61.110 1.00 0.00 ATOM 1143 C VAL A 143 5.639 13.257 59.920 1.00 0.00 ATOM 1144 N ARG A 144 5.359 14.230 59.061 1.00 0.00 ATOM 1145 CA ARG A 144 5.352 15.649 59.421 1.00 0.00 ATOM 1146 CB ARG A 144 6.525 16.373 58.735 1.00 0.00 ATOM 1147 CG ARG A 144 7.897 15.674 58.939 1.00 0.00 ATOM 1148 CD ARG A 144 9.031 16.471 58.326 1.00 0.00 ATOM 1149 NE ARG A 144 10.340 16.164 58.914 1.00 0.00 ATOM 1150 CZ ARG A 144 11.499 16.693 58.504 1.00 0.00 ATOM 1151 NH1 ARG A 144 11.550 17.528 57.471 1.00 0.00 ATOM 1152 NH2 ARG A 144 12.622 16.358 59.121 1.00 0.00 ATOM 1153 O ARG A 144 3.270 15.781 58.183 1.00 0.00 ATOM 1154 C ARG A 144 3.986 16.276 59.062 1.00 0.00 ATOM 1155 N ARG A 145 3.622 17.335 59.779 1.00 0.00 ATOM 1156 CA ARG A 145 2.303 17.996 59.650 1.00 0.00 ATOM 1157 CB ARG A 145 2.161 19.088 60.718 1.00 0.00 ATOM 1158 CG ARG A 145 2.314 18.611 62.142 1.00 0.00 ATOM 1159 CD ARG A 145 2.062 19.735 63.132 1.00 0.00 ATOM 1160 NE ARG A 145 2.282 19.302 64.503 1.00 0.00 ATOM 1161 CZ ARG A 145 1.378 18.657 65.240 1.00 0.00 ATOM 1162 NH1 ARG A 145 0.191 18.388 64.744 1.00 0.00 ATOM 1163 NH2 ARG A 145 1.676 18.244 66.463 1.00 0.00 ATOM 1164 O ARG A 145 0.958 18.765 57.805 1.00 0.00 ATOM 1165 C ARG A 145 2.084 18.607 58.263 1.00 0.00 ATOM 1166 N SER A 146 3.181 18.954 57.611 1.00 0.00 ATOM 1167 CA SER A 146 3.185 19.514 56.281 1.00 0.00 ATOM 1168 CB SER A 146 4.397 20.445 56.149 1.00 0.00 ATOM 1169 OG SER A 146 5.615 19.797 56.496 1.00 0.00 ATOM 1170 O SER A 146 3.276 18.872 53.983 1.00 0.00 ATOM 1171 C SER A 146 3.216 18.502 55.150 1.00 0.00 ATOM 1172 N ASP A 147 3.181 17.219 55.468 1.00 0.00 ATOM 1173 CA ASP A 147 3.312 16.197 54.437 1.00 0.00 ATOM 1174 CB ASP A 147 3.345 14.818 55.089 1.00 0.00 ATOM 1175 CG ASP A 147 4.693 14.490 55.730 1.00 0.00 ATOM 1176 OD1 ASP A 147 5.709 15.217 55.519 1.00 0.00 ATOM 1177 OD2 ASP A 147 4.721 13.478 56.458 1.00 0.00 ATOM 1178 O ASP A 147 1.057 16.583 53.560 1.00 0.00 ATOM 1179 C ASP A 147 2.245 16.236 53.330 1.00 0.00 ATOM 1180 N VAL A 148 2.671 15.917 52.109 1.00 0.00 ATOM 1181 CA VAL A 148 1.719 15.652 51.037 1.00 0.00 ATOM 1182 CB VAL A 148 2.429 15.383 49.700 1.00 0.00 ATOM 1183 CG1 VAL A 148 1.434 14.893 48.612 1.00 0.00 ATOM 1184 CG2 VAL A 148 3.134 16.634 49.258 1.00 0.00 ATOM 1185 O VAL A 148 1.195 13.503 52.007 1.00 0.00 ATOM 1186 C VAL A 148 0.764 14.520 51.467 1.00 0.00 ATOM 1187 N ALA A 149 -0.531 14.739 51.239 1.00 0.00 ATOM 1188 CA ALA A 149 -1.589 13.902 51.781 1.00 0.00 ATOM 1189 CB ALA A 149 -2.797 14.774 52.221 1.00 0.00 ATOM 1190 O ALA A 149 -2.450 11.724 51.257 1.00 0.00 ATOM 1191 C ALA A 149 -2.037 12.785 50.819 1.00 0.00 ATOM 1192 N TRP A 150 -1.950 13.032 49.519 1.00 0.00 ATOM 1193 CA TRP A 150 -2.303 12.047 48.526 1.00 0.00 ATOM 1194 CB TRP A 150 -3.840 11.920 48.398 1.00 0.00 ATOM 1195 CG TRP A 150 -4.286 10.595 47.869 1.00 0.00 ATOM 1196 CD1 TRP A 150 -4.940 10.354 46.667 1.00 0.00 ATOM 1197 CD2 TRP A 150 -4.095 9.305 48.477 1.00 0.00 ATOM 1198 CE2 TRP A 150 -4.667 8.339 47.601 1.00 0.00 ATOM 1199 CE3 TRP A 150 -3.506 8.869 49.667 1.00 0.00 ATOM 1200 NE1 TRP A 150 -5.167 9.010 46.516 1.00 0.00 ATOM 1201 CZ2 TRP A 150 -4.665 6.970 47.890 1.00 0.00 ATOM 1202 CZ3 TRP A 150 -3.479 7.509 49.940 1.00 0.00 ATOM 1203 CH2 TRP A 150 -4.077 6.574 49.058 1.00 0.00 ATOM 1204 O TRP A 150 -0.936 13.436 47.070 1.00 0.00 ATOM 1205 C TRP A 150 -1.667 12.420 47.197 1.00 0.00 ATOM 1206 N ASN A 151 -1.915 11.572 46.205 1.00 0.00 ATOM 1207 CA ASN A 151 -1.514 11.867 44.840 1.00 0.00 ATOM 1208 CB ASN A 151 -1.964 10.734 43.899 1.00 0.00 ATOM 1209 CG ASN A 151 -1.419 9.412 44.304 1.00 0.00 ATOM 1210 ND2 ASN A 151 -2.306 8.483 44.658 1.00 0.00 ATOM 1211 OD1 ASN A 151 -0.196 9.226 44.352 1.00 0.00 ATOM 1212 O ASN A 151 -3.288 13.456 44.866 1.00 0.00 ATOM 1213 C ASN A 151 -2.167 13.178 44.433 1.00 0.00 ATOM 1214 N PHE A 152 -1.473 13.958 43.610 1.00 0.00 ATOM 1215 CA PHE A 152 -2.010 15.209 43.051 1.00 0.00 ATOM 1216 CB PHE A 152 -3.186 14.921 42.120 1.00 0.00 ATOM 1217 CG PHE A 152 -2.851 13.962 40.989 1.00 0.00 ATOM 1218 CD1 PHE A 152 -2.208 14.415 39.842 1.00 0.00 ATOM 1219 CD2 PHE A 152 -3.208 12.617 41.068 1.00 0.00 ATOM 1220 CE1 PHE A 152 -1.904 13.540 38.799 1.00 0.00 ATOM 1221 CE2 PHE A 152 -2.934 11.739 40.033 1.00 0.00 ATOM 1222 CZ PHE A 152 -2.284 12.195 38.894 1.00 0.00 ATOM 1223 O PHE A 152 -3.368 16.996 43.984 1.00 0.00 ATOM 1224 C PHE A 152 -2.333 16.338 44.056 1.00 0.00 ATOM 1225 N GLU A 153 -1.400 16.602 44.956 1.00 0.00 ATOM 1226 CA GLU A 153 -1.297 17.933 45.516 1.00 0.00 ATOM 1227 CB GLU A 153 -0.623 17.931 46.885 1.00 0.00 ATOM 1228 CG GLU A 153 -1.503 17.359 47.963 1.00 0.00 ATOM 1229 CD GLU A 153 -1.044 17.733 49.356 1.00 0.00 ATOM 1230 OE1 GLU A 153 -0.040 18.470 49.498 1.00 0.00 ATOM 1231 OE2 GLU A 153 -1.684 17.281 50.317 1.00 0.00 ATOM 1232 O GLU A 153 0.189 18.332 43.653 1.00 0.00 ATOM 1233 C GLU A 153 -0.530 18.820 44.513 1.00 0.00 ATOM 1234 N LYS A 154 -0.724 20.125 44.638 1.00 0.00 ATOM 1235 CA LYS A 154 -0.376 21.092 43.607 1.00 0.00 ATOM 1236 CB LYS A 154 -1.664 21.465 42.838 1.00 0.00 ATOM 1237 CG LYS A 154 -2.623 20.227 42.780 1.00 0.00 ATOM 1238 CD LYS A 154 -3.853 20.349 42.079 1.00 0.00 ATOM 1239 CE LYS A 154 -4.509 18.939 41.848 1.00 0.00 ATOM 1240 NZ LYS A 154 -5.322 18.491 43.010 1.00 0.00 ATOM 1241 O LYS A 154 -0.164 22.700 45.353 1.00 0.00 ATOM 1242 C LYS A 154 0.282 22.284 44.300 1.00 0.00 ATOM 1243 N PHE A 155 1.394 22.765 43.734 1.00 0.00 ATOM 1244 CA PHE A 155 2.173 23.880 44.272 1.00 0.00 ATOM 1245 CB PHE A 155 3.543 23.397 44.758 1.00 0.00 ATOM 1246 CG PHE A 155 3.477 22.397 45.879 1.00 0.00 ATOM 1247 CD1 PHE A 155 3.659 22.788 47.190 1.00 0.00 ATOM 1248 CD2 PHE A 155 3.240 21.043 45.611 1.00 0.00 ATOM 1249 CE1 PHE A 155 3.616 21.830 48.225 1.00 0.00 ATOM 1250 CE2 PHE A 155 3.160 20.104 46.624 1.00 0.00 ATOM 1251 CZ PHE A 155 3.359 20.485 47.918 1.00 0.00 ATOM 1252 O PHE A 155 2.946 24.513 42.108 1.00 0.00 ATOM 1253 C PHE A 155 2.379 24.878 43.130 1.00 0.00 ATOM 1254 N LEU A 156 1.851 26.094 43.273 1.00 0.00 ATOM 1255 CA LEU A 156 2.069 27.135 42.297 1.00 0.00 ATOM 1256 CB LEU A 156 0.793 27.893 42.031 1.00 0.00 ATOM 1257 CG LEU A 156 0.840 28.966 40.947 1.00 0.00 ATOM 1258 CD1 LEU A 156 1.280 28.385 39.546 1.00 0.00 ATOM 1259 CD2 LEU A 156 -0.497 29.679 40.895 1.00 0.00 ATOM 1260 O LEU A 156 3.033 28.647 43.910 1.00 0.00 ATOM 1261 C LEU A 156 3.144 28.122 42.791 1.00 0.00 ATOM 1262 N ILE A 157 4.146 28.367 41.942 1.00 0.00 ATOM 1263 CA ILE A 157 5.242 29.315 42.233 1.00 0.00 ATOM 1264 CB ILE A 157 6.608 28.607 42.200 1.00 0.00 ATOM 1265 CG1 ILE A 157 6.597 27.353 43.102 1.00 0.00 ATOM 1266 CG2 ILE A 157 7.786 29.596 42.539 1.00 0.00 ATOM 1267 CD1 ILE A 157 6.163 25.980 42.347 1.00 0.00 ATOM 1268 O ILE A 157 5.039 30.244 39.990 1.00 0.00 ATOM 1269 C ILE A 157 5.230 30.456 41.204 1.00 0.00 ATOM 1270 N GLY A 158 5.436 31.674 41.686 1.00 0.00 ATOM 1271 CA GLY A 158 5.403 32.810 40.819 1.00 0.00 ATOM 1272 O GLY A 158 7.655 32.320 40.149 1.00 0.00 ATOM 1273 C GLY A 158 6.622 32.988 39.950 1.00 0.00 ATOM 1274 N PRO A 159 6.516 33.906 38.971 1.00 0.00 ATOM 1275 CA PRO A 159 7.597 34.193 38.012 1.00 0.00 ATOM 1276 CB PRO A 159 6.934 35.137 36.997 1.00 0.00 ATOM 1277 CG PRO A 159 5.731 35.725 37.731 1.00 0.00 ATOM 1278 CD PRO A 159 5.312 34.726 38.743 1.00 0.00 ATOM 1279 O PRO A 159 9.953 34.797 37.975 1.00 0.00 ATOM 1280 C PRO A 159 8.898 34.785 38.620 1.00 0.00 ATOM 1281 N GLU A 160 8.831 35.250 39.854 1.00 0.00 ATOM 1282 CA GLU A 160 10.021 35.698 40.544 1.00 0.00 ATOM 1283 CB GLU A 160 9.781 37.061 41.199 1.00 0.00 ATOM 1284 CG GLU A 160 9.663 38.232 40.205 1.00 0.00 ATOM 1285 CD GLU A 160 8.209 38.648 39.923 1.00 0.00 ATOM 1286 OE1 GLU A 160 7.329 38.450 40.796 1.00 0.00 ATOM 1287 OE2 GLU A 160 7.939 39.178 38.819 1.00 0.00 ATOM 1288 O GLU A 160 11.531 34.938 42.236 1.00 0.00 ATOM 1289 C GLU A 160 10.565 34.666 41.542 1.00 0.00 ATOM 1290 N GLY A 161 9.971 33.476 41.570 1.00 0.00 ATOM 1291 CA GLY A 161 10.530 32.336 42.296 1.00 0.00 ATOM 1292 O GLY A 161 10.479 31.269 44.409 1.00 0.00 ATOM 1293 C GLY A 161 9.973 32.111 43.677 1.00 0.00 ATOM 1294 N GLU A 162 8.926 32.847 44.039 1.00 0.00 ATOM 1295 CA GLU A 162 8.348 32.775 45.382 1.00 0.00 ATOM 1296 CB GLU A 162 7.925 34.178 45.857 1.00 0.00 ATOM 1297 CG GLU A 162 7.754 34.274 47.371 1.00 0.00 ATOM 1298 CD GLU A 162 8.998 33.800 48.164 1.00 0.00 ATOM 1299 OE1 GLU A 162 10.155 34.090 47.742 1.00 0.00 ATOM 1300 OE2 GLU A 162 8.802 33.130 49.210 1.00 0.00 ATOM 1301 O GLU A 162 6.208 32.092 44.595 1.00 0.00 ATOM 1302 C GLU A 162 7.149 31.843 45.345 1.00 0.00 ATOM 1303 N PRO A 163 7.205 30.716 46.080 1.00 0.00 ATOM 1304 CA PRO A 163 5.993 29.888 46.092 1.00 0.00 ATOM 1305 CB PRO A 163 6.360 28.746 47.024 1.00 0.00 ATOM 1306 CG PRO A 163 7.860 28.637 46.898 1.00 0.00 ATOM 1307 CD PRO A 163 8.302 30.080 46.838 1.00 0.00 ATOM 1308 O PRO A 163 4.852 31.391 47.524 1.00 0.00 ATOM 1309 C PRO A 163 4.767 30.656 46.562 1.00 0.00 ATOM 1310 N PHE A 164 3.641 30.465 45.872 1.00 0.00 ATOM 1311 CA PHE A 164 2.463 31.284 46.066 1.00 0.00 ATOM 1312 CB PHE A 164 1.936 31.807 44.720 1.00 0.00 ATOM 1313 CG PHE A 164 0.583 32.467 44.829 1.00 0.00 ATOM 1314 CD1 PHE A 164 0.443 33.705 45.454 1.00 0.00 ATOM 1315 CD2 PHE A 164 -0.557 31.832 44.363 1.00 0.00 ATOM 1316 CE1 PHE A 164 -0.812 34.289 45.567 1.00 0.00 ATOM 1317 CE2 PHE A 164 -1.794 32.432 44.476 1.00 0.00 ATOM 1318 CZ PHE A 164 -1.916 33.641 45.097 1.00 0.00 ATOM 1319 O PHE A 164 0.777 31.011 47.743 1.00 0.00 ATOM 1320 C PHE A 164 1.352 30.519 46.798 1.00 0.00 ATOM 1321 N ARG A 165 1.041 29.321 46.337 1.00 0.00 ATOM 1322 CA ARG A 165 -0.066 28.590 46.887 1.00 0.00 ATOM 1323 CB ARG A 165 -1.381 29.103 46.255 1.00 0.00 ATOM 1324 CG ARG A 165 -2.638 28.585 46.888 1.00 0.00 ATOM 1325 CD ARG A 165 -3.824 29.479 46.645 1.00 0.00 ATOM 1326 NE ARG A 165 -3.677 30.721 47.360 1.00 0.00 ATOM 1327 CZ ARG A 165 -4.407 31.815 47.164 1.00 0.00 ATOM 1328 NH1 ARG A 165 -5.348 31.879 46.223 1.00 0.00 ATOM 1329 NH2 ARG A 165 -4.163 32.868 47.923 1.00 0.00 ATOM 1330 O ARG A 165 0.581 26.612 45.658 1.00 0.00 ATOM 1331 C ARG A 165 0.068 27.090 46.686 1.00 0.00 ATOM 1332 N ARG A 166 -0.429 26.357 47.681 1.00 0.00 ATOM 1333 CA ARG A 166 -0.553 24.934 47.632 1.00 0.00 ATOM 1334 CB ARG A 166 0.257 24.323 48.775 1.00 0.00 ATOM 1335 CG ARG A 166 0.103 22.817 48.959 1.00 0.00 ATOM 1336 CD ARG A 166 0.800 22.477 50.259 1.00 0.00 ATOM 1337 NE ARG A 166 0.774 21.072 50.577 1.00 0.00 ATOM 1338 CZ ARG A 166 1.445 20.531 51.598 1.00 0.00 ATOM 1339 NH1 ARG A 166 2.253 21.258 52.364 1.00 0.00 ATOM 1340 NH2 ARG A 166 1.316 19.252 51.847 1.00 0.00 ATOM 1341 O ARG A 166 -2.840 25.103 48.387 1.00 0.00 ATOM 1342 C ARG A 166 -2.028 24.533 47.655 1.00 0.00 ATOM 1343 N TYR A 167 -2.374 23.559 46.805 1.00 0.00 ATOM 1344 CA TYR A 167 -3.747 23.088 46.635 1.00 0.00 ATOM 1345 CB TYR A 167 -4.300 23.410 45.211 1.00 0.00 ATOM 1346 CG TYR A 167 -3.998 24.799 44.695 1.00 0.00 ATOM 1347 CD1 TYR A 167 -4.983 25.801 44.677 1.00 0.00 ATOM 1348 CD2 TYR A 167 -2.721 25.127 44.230 1.00 0.00 ATOM 1349 CE1 TYR A 167 -4.716 27.044 44.188 1.00 0.00 ATOM 1350 CE2 TYR A 167 -2.442 26.381 43.758 1.00 0.00 ATOM 1351 CZ TYR A 167 -3.435 27.326 43.710 1.00 0.00 ATOM 1352 OH TYR A 167 -3.133 28.568 43.238 1.00 0.00 ATOM 1353 O TYR A 167 -2.902 20.819 46.595 1.00 0.00 ATOM 1354 C TYR A 167 -3.817 21.577 46.919 1.00 0.00 ATOM 1355 N SER A 168 -4.926 21.151 47.514 1.00 0.00 ATOM 1356 CA SER A 168 -5.083 19.794 47.976 1.00 0.00 ATOM 1357 CB SER A 168 -6.114 19.710 49.124 1.00 0.00 ATOM 1358 OG SER A 168 -7.448 19.652 48.648 1.00 0.00 ATOM 1359 O SER A 168 -5.755 19.271 45.743 1.00 0.00 ATOM 1360 C SER A 168 -5.467 18.847 46.865 1.00 0.00 ATOM 1361 N ARG A 169 -5.429 17.555 47.212 1.00 0.00 ATOM 1362 CA ARG A 169 -5.906 16.450 46.368 1.00 0.00 ATOM 1363 CB ARG A 169 -5.905 15.136 47.152 1.00 0.00 ATOM 1364 CG ARG A 169 -6.971 15.051 48.284 1.00 0.00 ATOM 1365 CD ARG A 169 -6.921 13.747 49.060 1.00 0.00 ATOM 1366 NE ARG A 169 -7.390 12.618 48.281 1.00 0.00 ATOM 1367 CZ ARG A 169 -7.430 11.351 48.708 1.00 0.00 ATOM 1368 NH1 ARG A 169 -6.975 11.010 49.918 1.00 0.00 ATOM 1369 NH2 ARG A 169 -7.910 10.405 47.902 1.00 0.00 ATOM 1370 O ARG A 169 -7.582 16.110 44.731 1.00 0.00 ATOM 1371 C ARG A 169 -7.295 16.656 45.786 1.00 0.00 ATOM 1372 N THR A 170 -8.149 17.444 46.446 1.00 0.00 ATOM 1373 CA THR A 170 -9.519 17.669 45.944 1.00 0.00 ATOM 1374 CB THR A 170 -10.553 17.761 47.096 1.00 0.00 ATOM 1375 CG2 THR A 170 -10.858 16.368 47.690 1.00 0.00 ATOM 1376 OG1 THR A 170 -10.031 18.610 48.111 1.00 0.00 ATOM 1377 O THR A 170 -10.689 19.110 44.471 1.00 0.00 ATOM 1378 C THR A 170 -9.659 18.919 45.085 1.00 0.00 ATOM 1379 N PHE A 171 -8.621 19.753 45.010 1.00 0.00 ATOM 1380 CA PHE A 171 -8.693 20.981 44.249 1.00 0.00 ATOM 1381 CB PHE A 171 -7.725 22.026 44.820 1.00 0.00 ATOM 1382 CG PHE A 171 -8.013 23.432 44.339 1.00 0.00 ATOM 1383 CD1 PHE A 171 -8.811 24.297 45.088 1.00 0.00 ATOM 1384 CD2 PHE A 171 -7.511 23.876 43.122 1.00 0.00 ATOM 1385 CE1 PHE A 171 -9.053 25.588 44.635 1.00 0.00 ATOM 1386 CE2 PHE A 171 -7.755 25.153 42.666 1.00 0.00 ATOM 1387 CZ PHE A 171 -8.520 26.010 43.401 1.00 0.00 ATOM 1388 O PHE A 171 -7.201 20.268 42.506 1.00 0.00 ATOM 1389 C PHE A 171 -8.344 20.666 42.784 1.00 0.00 ATOM 1390 N PRO A 172 -9.306 20.850 41.838 1.00 0.00 ATOM 1391 CA PRO A 172 -9.019 20.577 40.439 1.00 0.00 ATOM 1392 CB PRO A 172 -10.319 20.927 39.755 1.00 0.00 ATOM 1393 CG PRO A 172 -11.353 20.645 40.804 1.00 0.00 ATOM 1394 CD PRO A 172 -10.717 21.252 42.003 1.00 0.00 ATOM 1395 O PRO A 172 -7.784 22.604 40.098 1.00 0.00 ATOM 1396 C PRO A 172 -7.869 21.392 39.859 1.00 0.00 ATOM 1397 N THR A 173 -6.986 20.703 39.132 1.00 0.00 ATOM 1398 CA THR A 173 -5.865 21.316 38.452 1.00 0.00 ATOM 1399 CB THR A 173 -5.135 20.267 37.599 1.00 0.00 ATOM 1400 CG2 THR A 173 -4.047 20.866 36.765 1.00 0.00 ATOM 1401 OG1 THR A 173 -4.562 19.289 38.476 1.00 0.00 ATOM 1402 O THR A 173 -5.749 23.569 37.703 1.00 0.00 ATOM 1403 C THR A 173 -6.303 22.494 37.600 1.00 0.00 ATOM 1404 N ILE A 174 -7.341 22.303 36.785 1.00 0.00 ATOM 1405 CA ILE A 174 -7.758 23.375 35.905 1.00 0.00 ATOM 1406 CB ILE A 174 -8.812 22.890 34.903 1.00 0.00 ATOM 1407 CG1 ILE A 174 -8.660 23.676 33.590 1.00 0.00 ATOM 1408 CG2 ILE A 174 -10.186 22.889 35.568 1.00 0.00 ATOM 1409 CD1 ILE A 174 -7.341 23.334 32.863 1.00 0.00 ATOM 1410 O ILE A 174 -8.171 25.712 36.159 1.00 0.00 ATOM 1411 C ILE A 174 -8.260 24.614 36.671 1.00 0.00 ATOM 1412 N ASN A 175 -8.717 24.447 37.913 1.00 0.00 ATOM 1413 CA ASN A 175 -9.144 25.591 38.719 1.00 0.00 ATOM 1414 CB ASN A 175 -10.013 25.126 39.887 1.00 0.00 ATOM 1415 CG ASN A 175 -11.364 24.649 39.458 1.00 0.00 ATOM 1416 ND2 ASN A 175 -12.217 24.387 40.441 1.00 0.00 ATOM 1417 OD1 ASN A 175 -11.659 24.530 38.265 1.00 0.00 ATOM 1418 O ASN A 175 -8.241 27.437 39.947 1.00 0.00 ATOM 1419 C ASN A 175 -7.991 26.453 39.271 1.00 0.00 ATOM 1420 N ILE A 176 -6.744 26.079 38.988 1.00 0.00 ATOM 1421 CA ILE A 176 -5.579 26.867 39.382 1.00 0.00 ATOM 1422 CB ILE A 176 -4.306 25.963 39.559 1.00 0.00 ATOM 1423 CG1 ILE A 176 -4.560 24.918 40.659 1.00 0.00 ATOM 1424 CG2 ILE A 176 -3.086 26.823 39.888 1.00 0.00 ATOM 1425 CD1 ILE A 176 -3.534 23.806 40.767 1.00 0.00 ATOM 1426 O ILE A 176 -4.612 28.965 38.689 1.00 0.00 ATOM 1427 C ILE A 176 -5.343 28.007 38.392 1.00 0.00 ATOM 1428 N GLU A 177 -5.983 27.926 37.223 1.00 0.00 ATOM 1429 CA GLU A 177 -5.760 28.902 36.191 1.00 0.00 ATOM 1430 CB GLU A 177 -6.597 28.591 34.954 1.00 0.00 ATOM 1431 CG GLU A 177 -6.176 29.440 33.762 1.00 0.00 ATOM 1432 CD GLU A 177 -7.056 29.244 32.570 1.00 0.00 ATOM 1433 OE1 GLU A 177 -8.010 28.445 32.655 1.00 0.00 ATOM 1434 OE2 GLU A 177 -6.782 29.874 31.538 1.00 0.00 ATOM 1435 O GLU A 177 -5.106 31.196 36.245 1.00 0.00 ATOM 1436 C GLU A 177 -5.935 30.378 36.594 1.00 0.00 ATOM 1437 N PRO A 178 -7.036 30.741 37.279 1.00 0.00 ATOM 1438 CA PRO A 178 -7.132 32.150 37.696 1.00 0.00 ATOM 1439 CB PRO A 178 -8.371 32.157 38.583 1.00 0.00 ATOM 1440 CG PRO A 178 -9.203 31.076 37.978 1.00 0.00 ATOM 1441 CD PRO A 178 -8.223 29.981 37.680 1.00 0.00 ATOM 1442 O PRO A 178 -5.495 33.796 38.275 1.00 0.00 ATOM 1443 C PRO A 178 -5.906 32.658 38.461 1.00 0.00 ATOM 1444 N ASP A 179 -5.334 31.819 39.320 1.00 0.00 ATOM 1445 CA ASP A 179 -4.124 32.206 40.071 1.00 0.00 ATOM 1446 CB ASP A 179 -3.834 31.266 41.245 1.00 0.00 ATOM 1447 CG ASP A 179 -4.877 31.369 42.370 1.00 0.00 ATOM 1448 OD1 ASP A 179 -5.552 32.411 42.485 1.00 0.00 ATOM 1449 OD2 ASP A 179 -5.001 30.387 43.135 1.00 0.00 ATOM 1450 O ASP A 179 -2.057 33.162 39.377 1.00 0.00 ATOM 1451 C ASP A 179 -2.899 32.282 39.186 1.00 0.00 ATOM 1452 N ILE A 180 -2.808 31.390 38.214 1.00 0.00 ATOM 1453 CA ILE A 180 -1.741 31.507 37.189 1.00 0.00 ATOM 1454 CB ILE A 180 -1.727 30.313 36.221 1.00 0.00 ATOM 1455 CG1 ILE A 180 -1.316 29.035 36.975 1.00 0.00 ATOM 1456 CG2 ILE A 180 -0.830 30.554 34.971 1.00 0.00 ATOM 1457 CD1 ILE A 180 -1.651 27.789 36.149 1.00 0.00 ATOM 1458 O ILE A 180 -0.862 33.570 36.385 1.00 0.00 ATOM 1459 C ILE A 180 -1.845 32.853 36.462 1.00 0.00 ATOM 1460 N LYS A 181 -3.034 33.213 35.987 1.00 0.00 ATOM 1461 CA LYS A 181 -3.242 34.492 35.294 1.00 0.00 ATOM 1462 CB LYS A 181 -4.710 34.637 34.882 1.00 0.00 ATOM 1463 CG LYS A 181 -5.189 33.568 33.908 1.00 0.00 ATOM 1464 CD LYS A 181 -6.365 34.053 33.001 1.00 0.00 ATOM 1465 CE LYS A 181 -6.790 32.944 31.999 1.00 0.00 ATOM 1466 NZ LYS A 181 -8.009 33.223 31.144 1.00 0.00 ATOM 1467 O LYS A 181 -2.142 36.618 35.734 1.00 0.00 ATOM 1468 C LYS A 181 -2.830 35.682 36.175 1.00 0.00 ATOM 1469 N ARG A 182 -3.268 35.640 37.428 1.00 0.00 ATOM 1470 CA ARG A 182 -2.961 36.685 38.390 1.00 0.00 ATOM 1471 CB ARG A 182 -3.603 36.353 39.738 1.00 0.00 ATOM 1472 CG ARG A 182 -2.916 37.013 40.922 1.00 0.00 ATOM 1473 CD ARG A 182 -3.512 36.599 42.248 1.00 0.00 ATOM 1474 NE ARG A 182 -2.752 37.180 43.357 1.00 0.00 ATOM 1475 CZ ARG A 182 -3.087 37.056 44.641 1.00 0.00 ATOM 1476 NH1 ARG A 182 -2.336 37.636 45.574 1.00 0.00 ATOM 1477 NH2 ARG A 182 -4.167 36.351 45.003 1.00 0.00 ATOM 1478 O ARG A 182 -0.932 37.962 38.505 1.00 0.00 ATOM 1479 C ARG A 182 -1.448 36.841 38.539 1.00 0.00 ATOM 1480 N LEU A 183 -0.739 35.719 38.705 1.00 0.00 ATOM 1481 CA LEU A 183 0.706 35.749 38.893 1.00 0.00 ATOM 1482 CB LEU A 183 1.230 34.359 39.337 1.00 0.00 ATOM 1483 CG LEU A 183 0.851 33.882 40.745 1.00 0.00 ATOM 1484 CD1 LEU A 183 1.411 32.486 41.052 1.00 0.00 ATOM 1485 CD2 LEU A 183 1.291 34.920 41.793 1.00 0.00 ATOM 1486 O LEU A 183 2.518 36.856 37.737 1.00 0.00 ATOM 1487 C LEU A 183 1.452 36.249 37.629 1.00 0.00 ATOM 1488 N LEU A 184 0.870 35.998 36.449 1.00 0.00 ATOM 1489 CA LEU A 184 1.409 36.442 35.162 1.00 0.00 ATOM 1490 CB LEU A 184 1.038 35.444 34.039 1.00 0.00 ATOM 1491 CG LEU A 184 1.596 34.027 34.171 1.00 0.00 ATOM 1492 CD1 LEU A 184 1.077 33.169 33.027 1.00 0.00 ATOM 1493 CD2 LEU A 184 3.125 34.078 34.253 1.00 0.00 ATOM 1494 O LEU A 184 1.518 38.309 33.680 1.00 0.00 ATOM 1495 C LEU A 184 1.037 37.873 34.721 1.00 0.00 ATOM 1496 N LYS A 185 0.235 38.608 35.492 1.00 0.00 ATOM 1497 CA LYS A 185 -0.117 40.015 35.146 1.00 0.00 ATOM 1498 CB LYS A 185 -1.158 40.595 36.119 1.00 0.00 ATOM 1499 CG LYS A 185 -2.616 40.286 35.771 1.00 0.00 ATOM 1500 CD LYS A 185 -3.586 40.939 36.781 1.00 0.00 ATOM 1501 CE LYS A 185 -3.709 42.461 36.586 1.00 0.00 ATOM 1502 NZ LYS A 185 -4.614 42.799 35.445 1.00 0.00 ATOM 1503 O LYS A 185 1.841 40.962 36.132 1.00 0.00 ATOM 1504 C LYS A 185 1.089 40.951 35.153 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 T0345.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align1 # command:Warning: Couldn't open file decoys/align1.gdt for output # fraction of real conformation used = 0.919 # GDT_score = -88.919 # GDT_score(maxd=8.000,maxw=2.900)= -90.087 # GDT_score(maxd=8.000,maxw=3.200)= -89.260 # GDT_score(maxd=8.000,maxw=3.500)= -88.321 # GDT_score(maxd=10.000,maxw=3.800)= -88.691 # GDT_score(maxd=10.000,maxw=4.000)= -88.004 # GDT_score(maxd=10.000,maxw=4.200)= -87.192 # GDT_score(maxd=12.000,maxw=4.300)= -88.112 # GDT_score(maxd=12.000,maxw=4.500)= -87.307 # GDT_score(maxd=12.000,maxw=4.700)= -86.280 # GDT_score(maxd=14.000,maxw=5.200)= -84.972 # GDT_score(maxd=14.000,maxw=5.500)= -83.074 # command:# ReadConformPDB reading from PDB file T0345.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0345 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 = 0.903 # GDT_score = -88.108 # GDT_score(maxd=8.000,maxw=2.900)= -89.062 # GDT_score(maxd=8.000,maxw=3.200)= -88.503 # GDT_score(maxd=8.000,maxw=3.500)= -87.670 # GDT_score(maxd=10.000,maxw=3.800)= -87.957 # GDT_score(maxd=10.000,maxw=4.000)= -87.240 # GDT_score(maxd=10.000,maxw=4.200)= -86.347 # GDT_score(maxd=12.000,maxw=4.300)= -87.282 # GDT_score(maxd=12.000,maxw=4.500)= -86.405 # GDT_score(maxd=12.000,maxw=4.700)= -85.402 # GDT_score(maxd=14.000,maxw=5.200)= -84.071 # GDT_score(maxd=14.000,maxw=5.500)= -82.107 # command:# ReadConformPDB reading from PDB file T0345.undertaker-align.pdb looking for model 3 WARNING: atoms too close: (T0345)P65.C and (T0345)F69.C only 0.000 apart, marking (T0345)F69.C as missing WARNING: atoms too close: (T0345)C66.N and (T0345)G70.N only 0.000 apart, marking (T0345)C66.N as missing WARNING: atoms too close: (T0345)C66.CA and (T0345)G70.CA only 0.000 apart, marking (T0345)C66.CA as missing WARNING: atoms too close: (T0345)C103.C and (T0345)V105.C only 0.000 apart, marking (T0345)V105.C as missing WARNING: atoms too close: (T0345)E104.N and (T0345)N106.N only 0.000 apart, marking (T0345)E104.N as missing WARNING: atoms too close: (T0345)E104.CA and (T0345)N106.CA only 0.000 apart, marking (T0345)E104.CA as missing WARNING: atoms too close: (T0345)D127.C and (T0345)S141.C only 0.000 apart, marking (T0345)S141.C as missing WARNING: atoms too close: (T0345)P128.N and (T0345)P142.N only 0.000 apart, marking (T0345)P128.N as missing WARNING: atoms too close: (T0345)P128.CA and (T0345)P142.CA only 0.000 apart, marking (T0345)P128.CA as missing # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0345.undertaker-align.pdb looking for model 4 WARNING: atoms too close: (T0345)K85.C and (T0345)G91.C only 0.000 apart, marking (T0345)G91.C as missing WARNING: atoms too close: (T0345)Y86.N and (T0345)G92.N only 0.000 apart, marking (T0345)Y86.N as missing WARNING: atoms too close: (T0345)Y86.CA and (T0345)G92.CA only 0.000 apart, marking (T0345)Y86.CA as missing WARNING: atoms too close: (T0345)C103.C and (T0345)G107.C only 0.000 apart, marking (T0345)G107.C as missing WARNING: atoms too close: (T0345)E104.N and (T0345)Q108.N only 0.000 apart, marking (T0345)E104.N as missing WARNING: atoms too close: (T0345)E104.CA and (T0345)Q108.CA only 0.000 apart, marking (T0345)E104.CA as missing WARNING: atoms too close: (T0345)N109.C and (T0345)A115.C only 0.000 apart, marking (T0345)A115.C as missing WARNING: atoms too close: (T0345)E110.N and (T0345)Y116.N only 0.000 apart, marking (T0345)E110.N as missing WARNING: atoms too close: (T0345)E110.CA and (T0345)Y116.CA only 0.000 apart, marking (T0345)E110.CA as missing WARNING: atoms too close: (T0345)Y125.C and (T0345)W150.C only 0.000 apart, marking (T0345)W150.C as missing WARNING: atoms too close: (T0345)D126.N and (T0345)N151.N only 0.000 apart, marking (T0345)D126.N as missing WARNING: atoms too close: (T0345)D126.CA and (T0345)N151.CA only 0.000 apart, marking (T0345)D126.CA as missing # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0345.undertaker-align.pdb looking for model 5 WARNING: atoms too close: (T0345)V87.C and (T0345)G91.C only 0.000 apart, marking (T0345)G91.C as missing WARNING: atoms too close: (T0345)R88.N and (T0345)G92.N only 0.000 apart, marking (T0345)R88.N as missing WARNING: atoms too close: (T0345)R88.CA and (T0345)G92.CA only 0.000 apart, marking (T0345)R88.CA as missing WARNING: atoms too close: (T0345)V100.C and (T0345)Q108.C only 0.000 apart, marking (T0345)Q108.C as missing WARNING: atoms too close: (T0345)Q101.N and (T0345)N109.N only 0.000 apart, marking (T0345)Q101.N as missing WARNING: atoms too close: (T0345)Q101.CA and (T0345)N109.CA only 0.000 apart, marking (T0345)Q101.CA as missing WARNING: atoms too close: (T0345)L117.C and (T0345)S146.C only 0.000 apart, marking (T0345)S146.C as missing WARNING: atoms too close: (T0345)K118.N and (T0345)D147.N only 0.000 apart, marking (T0345)K118.N as missing WARNING: atoms too close: (T0345)K118.CA and (T0345)D147.CA only 0.000 apart, marking (T0345)K118.CA as missing # WARNING: incomplete conformation T0345 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 # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0345.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try3-opt2.gromacs0.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0345.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file T0345.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1245571776.pdb -s /var/tmp/to_scwrl_1245571776.seq -o /var/tmp/from_scwrl_1245571776.pdb > /var/tmp/scwrl_1245571776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1245571776.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 T0345 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_99195733.pdb -s /var/tmp/to_scwrl_99195733.seq -o /var/tmp/from_scwrl_99195733.pdb > /var/tmp/scwrl_99195733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_99195733.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 T0345 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_61650148.pdb -s /var/tmp/to_scwrl_61650148.seq -o /var/tmp/from_scwrl_61650148.pdb > /var/tmp/scwrl_61650148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_61650148.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 T0345 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1452567440.pdb -s /var/tmp/to_scwrl_1452567440.seq -o /var/tmp/from_scwrl_1452567440.pdb > /var/tmp/scwrl_1452567440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1452567440.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 T0345 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_344117536.pdb -s /var/tmp/to_scwrl_344117536.seq -o /var/tmp/from_scwrl_344117536.pdb > /var/tmp/scwrl_344117536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_344117536.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 T0345 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2109939466.pdb -s /var/tmp/to_scwrl_2109939466.seq -o /var/tmp/from_scwrl_2109939466.pdb > /var/tmp/scwrl_2109939466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109939466.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1961476656.pdb -s /var/tmp/to_scwrl_1961476656.seq -o /var/tmp/from_scwrl_1961476656.pdb > /var/tmp/scwrl_1961476656.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961476656.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_209092343.pdb -s /var/tmp/to_scwrl_209092343.seq -o /var/tmp/from_scwrl_209092343.pdb > /var/tmp/scwrl_209092343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209092343.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 72 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_95274744.pdb -s /var/tmp/to_scwrl_95274744.seq -o /var/tmp/from_scwrl_95274744.pdb > /var/tmp/scwrl_95274744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_95274744.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 72 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_918454113.pdb -s /var/tmp/to_scwrl_918454113.seq -o /var/tmp/from_scwrl_918454113.pdb > /var/tmp/scwrl_918454113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918454113.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 141 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_827563736.pdb -s /var/tmp/to_scwrl_827563736.seq -o /var/tmp/from_scwrl_827563736.pdb > /var/tmp/scwrl_827563736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_827563736.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 72 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_123688900.pdb -s /var/tmp/to_scwrl_123688900.seq -o /var/tmp/from_scwrl_123688900.pdb > /var/tmp/scwrl_123688900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_123688900.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 167 ; scwrl3 -i /var/tmp/to_scwrl_1402420816.pdb -s /var/tmp/to_scwrl_1402420816.seq -o /var/tmp/from_scwrl_1402420816.pdb > /var/tmp/scwrl_1402420816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1402420816.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 165 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1145022355.pdb -s /var/tmp/to_scwrl_1145022355.seq -o /var/tmp/from_scwrl_1145022355.pdb > /var/tmp/scwrl_1145022355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1145022355.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 149 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1246463883.pdb -s /var/tmp/to_scwrl_1246463883.seq -o /var/tmp/from_scwrl_1246463883.pdb > /var/tmp/scwrl_1246463883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1246463883.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 177 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1183172417.pdb -s /var/tmp/to_scwrl_1183172417.seq -o /var/tmp/from_scwrl_1183172417.pdb > /var/tmp/scwrl_1183172417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1183172417.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 167 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_951357887.pdb -s /var/tmp/to_scwrl_951357887.seq -o /var/tmp/from_scwrl_951357887.pdb > /var/tmp/scwrl_951357887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951357887.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 6 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1463078897.pdb -s /var/tmp/to_scwrl_1463078897.seq -o /var/tmp/from_scwrl_1463078897.pdb > /var/tmp/scwrl_1463078897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1463078897.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 72 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2035322075.pdb -s /var/tmp/to_scwrl_2035322075.seq -o /var/tmp/from_scwrl_2035322075.pdb > /var/tmp/scwrl_2035322075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2035322075.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 72 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1696434856.pdb -s /var/tmp/to_scwrl_1696434856.seq -o /var/tmp/from_scwrl_1696434856.pdb > /var/tmp/scwrl_1696434856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1696434856.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 129 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2136450011.pdb -s /var/tmp/to_scwrl_2136450011.seq -o /var/tmp/from_scwrl_2136450011.pdb > /var/tmp/scwrl_2136450011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2136450011.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 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1866104257.pdb -s /var/tmp/to_scwrl_1866104257.seq -o /var/tmp/from_scwrl_1866104257.pdb > /var/tmp/scwrl_1866104257.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1866104257.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 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_50745305.pdb -s /var/tmp/to_scwrl_50745305.seq -o /var/tmp/from_scwrl_50745305.pdb > /var/tmp/scwrl_50745305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_50745305.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 183 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_368169295.pdb -s /var/tmp/to_scwrl_368169295.seq -o /var/tmp/from_scwrl_368169295.pdb > /var/tmp/scwrl_368169295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_368169295.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 177 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1966823477.pdb -s /var/tmp/to_scwrl_1966823477.seq -o /var/tmp/from_scwrl_1966823477.pdb > /var/tmp/scwrl_1966823477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1966823477.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 T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1365042493.pdb -s /var/tmp/to_scwrl_1365042493.seq -o /var/tmp/from_scwrl_1365042493.pdb > /var/tmp/scwrl_1365042493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1365042493.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1406990817.pdb -s /var/tmp/to_scwrl_1406990817.seq -o /var/tmp/from_scwrl_1406990817.pdb > /var/tmp/scwrl_1406990817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1406990817.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 T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_639118027.pdb -s /var/tmp/to_scwrl_639118027.seq -o /var/tmp/from_scwrl_639118027.pdb > /var/tmp/scwrl_639118027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639118027.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1384375508.pdb -s /var/tmp/to_scwrl_1384375508.seq -o /var/tmp/from_scwrl_1384375508.pdb > /var/tmp/scwrl_1384375508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1384375508.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_882787158.pdb -s /var/tmp/to_scwrl_882787158.seq -o /var/tmp/from_scwrl_882787158.pdb > /var/tmp/scwrl_882787158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_882787158.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 T0345 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_103591309.pdb -s /var/tmp/to_scwrl_103591309.seq -o /var/tmp/from_scwrl_103591309.pdb > /var/tmp/scwrl_103591309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103591309.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 T0345 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_482463639.pdb -s /var/tmp/to_scwrl_482463639.seq -o /var/tmp/from_scwrl_482463639.pdb > /var/tmp/scwrl_482463639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_482463639.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 T0345 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_981982891.pdb -s /var/tmp/to_scwrl_981982891.seq -o /var/tmp/from_scwrl_981982891.pdb > /var/tmp/scwrl_981982891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_981982891.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 T0345 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_165241457.pdb -s /var/tmp/to_scwrl_165241457.seq -o /var/tmp/from_scwrl_165241457.pdb > /var/tmp/scwrl_165241457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_165241457.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 T0345 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1935031079.pdb -s /var/tmp/to_scwrl_1935031079.seq -o /var/tmp/from_scwrl_1935031079.pdb > /var/tmp/scwrl_1935031079.log Error: Couldn't open file /var/tmp/from_scwrl_1935031079.pdb or /var/tmp/from_scwrl_1935031079.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1935031079_b.pdb or decoys//var/tmp/from_scwrl_1935031079_b.pdb.gz for input Trying /var/tmp/from_scwrl_1935031079_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1935031079_b.pdb or /var/tmp/from_scwrl_1935031079_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1935031079_a.pdb or decoys//var/tmp/from_scwrl_1935031079_a.pdb.gz for input Trying /var/tmp/from_scwrl_1935031079_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1935031079_a.pdb or /var/tmp/from_scwrl_1935031079_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1935031079.pdb or /var/tmp/from_scwrl_1935031079_b.pdb or /var/tmp/from_scwrl_1935031079_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 T0345 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1326100427.pdb -s /var/tmp/to_scwrl_1326100427.seq -o /var/tmp/from_scwrl_1326100427.pdb > /var/tmp/scwrl_1326100427.log Error: Couldn't open file /var/tmp/from_scwrl_1326100427.pdb or /var/tmp/from_scwrl_1326100427.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1326100427_b.pdb or decoys//var/tmp/from_scwrl_1326100427_b.pdb.gz for input Trying /var/tmp/from_scwrl_1326100427_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1326100427_b.pdb or /var/tmp/from_scwrl_1326100427_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1326100427_a.pdb or decoys//var/tmp/from_scwrl_1326100427_a.pdb.gz for input Trying /var/tmp/from_scwrl_1326100427_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1326100427_a.pdb or /var/tmp/from_scwrl_1326100427_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1326100427.pdb or /var/tmp/from_scwrl_1326100427_b.pdb or /var/tmp/from_scwrl_1326100427_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 T0345 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_127697276.pdb -s /var/tmp/to_scwrl_127697276.seq -o /var/tmp/from_scwrl_127697276.pdb > /var/tmp/scwrl_127697276.log Error: Couldn't open file /var/tmp/from_scwrl_127697276.pdb or /var/tmp/from_scwrl_127697276.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_127697276_b.pdb or decoys//var/tmp/from_scwrl_127697276_b.pdb.gz for input Trying /var/tmp/from_scwrl_127697276_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_127697276_b.pdb or /var/tmp/from_scwrl_127697276_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_127697276_a.pdb or decoys//var/tmp/from_scwrl_127697276_a.pdb.gz for input Trying /var/tmp/from_scwrl_127697276_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_127697276_a.pdb or /var/tmp/from_scwrl_127697276_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_127697276.pdb or /var/tmp/from_scwrl_127697276_b.pdb or /var/tmp/from_scwrl_127697276_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 T0345 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1749024088.pdb -s /var/tmp/to_scwrl_1749024088.seq -o /var/tmp/from_scwrl_1749024088.pdb > /var/tmp/scwrl_1749024088.log Error: Couldn't open file /var/tmp/from_scwrl_1749024088.pdb or /var/tmp/from_scwrl_1749024088.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1749024088_b.pdb or decoys//var/tmp/from_scwrl_1749024088_b.pdb.gz for input Trying /var/tmp/from_scwrl_1749024088_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1749024088_b.pdb or /var/tmp/from_scwrl_1749024088_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1749024088_a.pdb or decoys//var/tmp/from_scwrl_1749024088_a.pdb.gz for input Trying /var/tmp/from_scwrl_1749024088_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1749024088_a.pdb or /var/tmp/from_scwrl_1749024088_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1749024088.pdb or /var/tmp/from_scwrl_1749024088_b.pdb or /var/tmp/from_scwrl_1749024088_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 T0345 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1535192770.pdb -s /var/tmp/to_scwrl_1535192770.seq -o /var/tmp/from_scwrl_1535192770.pdb > /var/tmp/scwrl_1535192770.log Error: Couldn't open file /var/tmp/from_scwrl_1535192770.pdb or /var/tmp/from_scwrl_1535192770.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1535192770_b.pdb or decoys//var/tmp/from_scwrl_1535192770_b.pdb.gz for input Trying /var/tmp/from_scwrl_1535192770_b.pdb Error: Couldn't open file /var/tmp/from_scwrl_1535192770_b.pdb or /var/tmp/from_scwrl_1535192770_b.pdb.gz for input Warning: Couldn't open file decoys//var/tmp/from_scwrl_1535192770_a.pdb or decoys//var/tmp/from_scwrl_1535192770_a.pdb.gz for input Trying /var/tmp/from_scwrl_1535192770_a.pdb Error: Couldn't open file /var/tmp/from_scwrl_1535192770_a.pdb or /var/tmp/from_scwrl_1535192770_a.pdb.gz for input Error: can't open any of /var/tmp/from_scwrl_1535192770.pdb or /var/tmp/from_scwrl_1535192770_b.pdb or /var/tmp/from_scwrl_1535192770_a.pdb Error: no new SCWRL conformation added # naming current conformation Distill_TS5-scwrl # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 17 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_222972021.pdb -s /var/tmp/to_scwrl_222972021.seq -o /var/tmp/from_scwrl_222972021.pdb > /var/tmp/scwrl_222972021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_222972021.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 T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_519994554.pdb -s /var/tmp/to_scwrl_519994554.seq -o /var/tmp/from_scwrl_519994554.pdb > /var/tmp/scwrl_519994554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_519994554.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 T0345 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_215272859.pdb -s /var/tmp/to_scwrl_215272859.seq -o /var/tmp/from_scwrl_215272859.pdb > /var/tmp/scwrl_215272859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_215272859.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 T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_346660921.pdb -s /var/tmp/to_scwrl_346660921.seq -o /var/tmp/from_scwrl_346660921.pdb > /var/tmp/scwrl_346660921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_346660921.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 T0345 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1922415370.pdb -s /var/tmp/to_scwrl_1922415370.seq -o /var/tmp/from_scwrl_1922415370.pdb > /var/tmp/scwrl_1922415370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1922415370.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 177 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1360295214.pdb -s /var/tmp/to_scwrl_1360295214.seq -o /var/tmp/from_scwrl_1360295214.pdb > /var/tmp/scwrl_1360295214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1360295214.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1593124804.pdb -s /var/tmp/to_scwrl_1593124804.seq -o /var/tmp/from_scwrl_1593124804.pdb > /var/tmp/scwrl_1593124804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593124804.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 T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_958104141.pdb -s /var/tmp/to_scwrl_958104141.seq -o /var/tmp/from_scwrl_958104141.pdb > /var/tmp/scwrl_958104141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_958104141.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS3-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_164169454.pdb -s /var/tmp/to_scwrl_164169454.seq -o /var/tmp/from_scwrl_164169454.pdb > /var/tmp/scwrl_164169454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_164169454.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS4-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_908720055.pdb -s /var/tmp/to_scwrl_908720055.seq -o /var/tmp/from_scwrl_908720055.pdb > /var/tmp/scwrl_908720055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_908720055.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 72 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_845942570.pdb -s /var/tmp/to_scwrl_845942570.seq -o /var/tmp/from_scwrl_845942570.pdb > /var/tmp/scwrl_845942570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_845942570.pdb # conformation set from SCWRL output # naming current conformation FOLDpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1860604311.pdb -s /var/tmp/to_scwrl_1860604311.seq -o /var/tmp/from_scwrl_1860604311.pdb > /var/tmp/scwrl_1860604311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1860604311.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 72 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_897686420.pdb -s /var/tmp/to_scwrl_897686420.seq -o /var/tmp/from_scwrl_897686420.pdb > /var/tmp/scwrl_897686420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_897686420.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 139 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_564563180.pdb -s /var/tmp/to_scwrl_564563180.seq -o /var/tmp/from_scwrl_564563180.pdb > /var/tmp/scwrl_564563180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_564563180.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 72 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1911349616.pdb -s /var/tmp/to_scwrl_1911349616.seq -o /var/tmp/from_scwrl_1911349616.pdb > /var/tmp/scwrl_1911349616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1911349616.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 T0345 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1265855714.pdb -s /var/tmp/to_scwrl_1265855714.seq -o /var/tmp/from_scwrl_1265855714.pdb > /var/tmp/scwrl_1265855714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1265855714.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 T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_383903010.pdb -s /var/tmp/to_scwrl_383903010.seq -o /var/tmp/from_scwrl_383903010.pdb > /var/tmp/scwrl_383903010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_383903010.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 T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1128908462.pdb -s /var/tmp/to_scwrl_1128908462.seq -o /var/tmp/from_scwrl_1128908462.pdb > /var/tmp/scwrl_1128908462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128908462.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 T0345 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_525362885.pdb -s /var/tmp/to_scwrl_525362885.seq -o /var/tmp/from_scwrl_525362885.pdb > /var/tmp/scwrl_525362885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_525362885.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 T0345 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1023021037.pdb -s /var/tmp/to_scwrl_1023021037.seq -o /var/tmp/from_scwrl_1023021037.pdb > /var/tmp/scwrl_1023021037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1023021037.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 T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_365800324.pdb -s /var/tmp/to_scwrl_365800324.seq -o /var/tmp/from_scwrl_365800324.pdb > /var/tmp/scwrl_365800324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_365800324.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 T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1408150042.pdb -s /var/tmp/to_scwrl_1408150042.seq -o /var/tmp/from_scwrl_1408150042.pdb > /var/tmp/scwrl_1408150042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1408150042.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 T0345 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1126612345.pdb -s /var/tmp/to_scwrl_1126612345.seq -o /var/tmp/from_scwrl_1126612345.pdb > /var/tmp/scwrl_1126612345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1126612345.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 T0345 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_848263963.pdb -s /var/tmp/to_scwrl_848263963.seq -o /var/tmp/from_scwrl_848263963.pdb > /var/tmp/scwrl_848263963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848263963.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 T0345 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_242649287.pdb -s /var/tmp/to_scwrl_242649287.seq -o /var/tmp/from_scwrl_242649287.pdb > /var/tmp/scwrl_242649287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_242649287.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 184 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1291853802.pdb -s /var/tmp/to_scwrl_1291853802.seq -o /var/tmp/from_scwrl_1291853802.pdb > /var/tmp/scwrl_1291853802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1291853802.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 177 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_635811395.pdb -s /var/tmp/to_scwrl_635811395.seq -o /var/tmp/from_scwrl_635811395.pdb > /var/tmp/scwrl_635811395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_635811395.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 169 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1568749714.pdb -s /var/tmp/to_scwrl_1568749714.seq -o /var/tmp/from_scwrl_1568749714.pdb > /var/tmp/scwrl_1568749714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1568749714.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 157 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1419551079.pdb -s /var/tmp/to_scwrl_1419551079.seq -o /var/tmp/from_scwrl_1419551079.pdb > /var/tmp/scwrl_1419551079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419551079.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 181 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_237351836.pdb -s /var/tmp/to_scwrl_237351836.seq -o /var/tmp/from_scwrl_237351836.pdb > /var/tmp/scwrl_237351836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_237351836.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 T0345 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_956458838.pdb -s /var/tmp/to_scwrl_956458838.seq -o /var/tmp/from_scwrl_956458838.pdb > /var/tmp/scwrl_956458838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956458838.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1642523100.pdb -s /var/tmp/to_scwrl_1642523100.seq -o /var/tmp/from_scwrl_1642523100.pdb > /var/tmp/scwrl_1642523100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1642523100.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_757346391.pdb -s /var/tmp/to_scwrl_757346391.seq -o /var/tmp/from_scwrl_757346391.pdb > /var/tmp/scwrl_757346391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_757346391.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1171731697.pdb -s /var/tmp/to_scwrl_1171731697.seq -o /var/tmp/from_scwrl_1171731697.pdb > /var/tmp/scwrl_1171731697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1171731697.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 T0345 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1989184021.pdb -s /var/tmp/to_scwrl_1989184021.seq -o /var/tmp/from_scwrl_1989184021.pdb > /var/tmp/scwrl_1989184021.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1989184021.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_532278114.pdb -s /var/tmp/to_scwrl_532278114.seq -o /var/tmp/from_scwrl_532278114.pdb > /var/tmp/scwrl_532278114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_532278114.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 402, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 406, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 408, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 410, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz Skipped atom 412, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL2.pdb.gz # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_384543265.pdb -s /var/tmp/to_scwrl_384543265.seq -o /var/tmp/from_scwrl_384543265.pdb > /var/tmp/scwrl_384543265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_384543265.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL2-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1434825178.pdb -s /var/tmp/to_scwrl_1434825178.seq -o /var/tmp/from_scwrl_1434825178.pdb > /var/tmp/scwrl_1434825178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434825178.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 T0345 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1490382255.pdb -s /var/tmp/to_scwrl_1490382255.seq -o /var/tmp/from_scwrl_1490382255.pdb > /var/tmp/scwrl_1490382255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1490382255.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 T0345 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_548712720.pdb -s /var/tmp/to_scwrl_548712720.seq -o /var/tmp/from_scwrl_548712720.pdb > /var/tmp/scwrl_548712720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_548712720.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_196061587.pdb -s /var/tmp/to_scwrl_196061587.seq -o /var/tmp/from_scwrl_196061587.pdb > /var/tmp/scwrl_196061587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_196061587.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_188841178.pdb -s /var/tmp/to_scwrl_188841178.seq -o /var/tmp/from_scwrl_188841178.pdb > /var/tmp/scwrl_188841178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_188841178.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_261833384.pdb -s /var/tmp/to_scwrl_261833384.seq -o /var/tmp/from_scwrl_261833384.pdb > /var/tmp/scwrl_261833384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_261833384.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 184 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1093748006.pdb -s /var/tmp/to_scwrl_1093748006.seq -o /var/tmp/from_scwrl_1093748006.pdb > /var/tmp/scwrl_1093748006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1093748006.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_753404358.pdb -s /var/tmp/to_scwrl_753404358.seq -o /var/tmp/from_scwrl_753404358.pdb > /var/tmp/scwrl_753404358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_753404358.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 72 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_25699353.pdb -s /var/tmp/to_scwrl_25699353.seq -o /var/tmp/from_scwrl_25699353.pdb > /var/tmp/scwrl_25699353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_25699353.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 72 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_212120074.pdb -s /var/tmp/to_scwrl_212120074.seq -o /var/tmp/from_scwrl_212120074.pdb > /var/tmp/scwrl_212120074.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_212120074.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS2-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1137307367.pdb -s /var/tmp/to_scwrl_1137307367.seq -o /var/tmp/from_scwrl_1137307367.pdb > /var/tmp/scwrl_1137307367.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137307367.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 72 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1154607815.pdb -s /var/tmp/to_scwrl_1154607815.seq -o /var/tmp/from_scwrl_1154607815.pdb > /var/tmp/scwrl_1154607815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1154607815.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 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_737482959.pdb -s /var/tmp/to_scwrl_737482959.seq -o /var/tmp/from_scwrl_737482959.pdb > /var/tmp/scwrl_737482959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_737482959.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS5-scwrl # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_12844758.pdb -s /var/tmp/to_scwrl_12844758.seq -o /var/tmp/from_scwrl_12844758.pdb > /var/tmp/scwrl_12844758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_12844758.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 152 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1520408139.pdb -s /var/tmp/to_scwrl_1520408139.seq -o /var/tmp/from_scwrl_1520408139.pdb > /var/tmp/scwrl_1520408139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1520408139.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 68 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2145633001.pdb -s /var/tmp/to_scwrl_2145633001.seq -o /var/tmp/from_scwrl_2145633001.pdb > /var/tmp/scwrl_2145633001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2145633001.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 T0345 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1139457103.pdb -s /var/tmp/to_scwrl_1139457103.seq -o /var/tmp/from_scwrl_1139457103.pdb > /var/tmp/scwrl_1139457103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1139457103.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 T0345 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_221188456.pdb -s /var/tmp/to_scwrl_221188456.seq -o /var/tmp/from_scwrl_221188456.pdb > /var/tmp/scwrl_221188456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_221188456.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 T0345 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_240798641.pdb -s /var/tmp/to_scwrl_240798641.seq -o /var/tmp/from_scwrl_240798641.pdb > /var/tmp/scwrl_240798641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_240798641.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 T0345 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_283827260.pdb -s /var/tmp/to_scwrl_283827260.seq -o /var/tmp/from_scwrl_283827260.pdb > /var/tmp/scwrl_283827260.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_283827260.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 T0345 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_856999851.pdb -s /var/tmp/to_scwrl_856999851.seq -o /var/tmp/from_scwrl_856999851.pdb > /var/tmp/scwrl_856999851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_856999851.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 T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1809548355.pdb -s /var/tmp/to_scwrl_1809548355.seq -o /var/tmp/from_scwrl_1809548355.pdb > /var/tmp/scwrl_1809548355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1809548355.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 T0345 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1703378339.pdb -s /var/tmp/to_scwrl_1703378339.seq -o /var/tmp/from_scwrl_1703378339.pdb > /var/tmp/scwrl_1703378339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1703378339.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 T0345 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1094351687.pdb -s /var/tmp/to_scwrl_1094351687.seq -o /var/tmp/from_scwrl_1094351687.pdb > /var/tmp/scwrl_1094351687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1094351687.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 T0345 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_618523547.pdb -s /var/tmp/to_scwrl_618523547.seq -o /var/tmp/from_scwrl_618523547.pdb > /var/tmp/scwrl_618523547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_618523547.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 T0345 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1198417792.pdb -s /var/tmp/to_scwrl_1198417792.seq -o /var/tmp/from_scwrl_1198417792.pdb > /var/tmp/scwrl_1198417792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1198417792.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 72 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1851698078.pdb -s /var/tmp/to_scwrl_1851698078.seq -o /var/tmp/from_scwrl_1851698078.pdb > /var/tmp/scwrl_1851698078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851698078.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 72 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1790255244.pdb -s /var/tmp/to_scwrl_1790255244.seq -o /var/tmp/from_scwrl_1790255244.pdb > /var/tmp/scwrl_1790255244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1790255244.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 169 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1040118167.pdb -s /var/tmp/to_scwrl_1040118167.seq -o /var/tmp/from_scwrl_1040118167.pdb > /var/tmp/scwrl_1040118167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1040118167.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_236492545.pdb -s /var/tmp/to_scwrl_236492545.seq -o /var/tmp/from_scwrl_236492545.pdb > /var/tmp/scwrl_236492545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_236492545.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 151 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_27314862.pdb -s /var/tmp/to_scwrl_27314862.seq -o /var/tmp/from_scwrl_27314862.pdb > /var/tmp/scwrl_27314862.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_27314862.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 72 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_327459698.pdb -s /var/tmp/to_scwrl_327459698.seq -o /var/tmp/from_scwrl_327459698.pdb > /var/tmp/scwrl_327459698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_327459698.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 138 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1726874800.pdb -s /var/tmp/to_scwrl_1726874800.seq -o /var/tmp/from_scwrl_1726874800.pdb > /var/tmp/scwrl_1726874800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726874800.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_576027582.pdb -s /var/tmp/to_scwrl_576027582.seq -o /var/tmp/from_scwrl_576027582.pdb > /var/tmp/scwrl_576027582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_576027582.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 103 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_523521285.pdb -s /var/tmp/to_scwrl_523521285.seq -o /var/tmp/from_scwrl_523521285.pdb > /var/tmp/scwrl_523521285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_523521285.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 84 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1915715978.pdb -s /var/tmp/to_scwrl_1915715978.seq -o /var/tmp/from_scwrl_1915715978.pdb > /var/tmp/scwrl_1915715978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1915715978.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 165 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_837860966.pdb -s /var/tmp/to_scwrl_837860966.seq -o /var/tmp/from_scwrl_837860966.pdb > /var/tmp/scwrl_837860966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_837860966.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 180 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1617269291.pdb -s /var/tmp/to_scwrl_1617269291.seq -o /var/tmp/from_scwrl_1617269291.pdb > /var/tmp/scwrl_1617269291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1617269291.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 183 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_521636689.pdb -s /var/tmp/to_scwrl_521636689.seq -o /var/tmp/from_scwrl_521636689.pdb > /var/tmp/scwrl_521636689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_521636689.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 181 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_863560319.pdb -s /var/tmp/to_scwrl_863560319.seq -o /var/tmp/from_scwrl_863560319.pdb > /var/tmp/scwrl_863560319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_863560319.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 168 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1829389365.pdb -s /var/tmp/to_scwrl_1829389365.seq -o /var/tmp/from_scwrl_1829389365.pdb > /var/tmp/scwrl_1829389365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1829389365.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 72 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1658944057.pdb -s /var/tmp/to_scwrl_1658944057.seq -o /var/tmp/from_scwrl_1658944057.pdb > /var/tmp/scwrl_1658944057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1658944057.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-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 167 ; scwrl3 -i /var/tmp/to_scwrl_2018168134.pdb -s /var/tmp/to_scwrl_2018168134.seq -o /var/tmp/from_scwrl_2018168134.pdb > /var/tmp/scwrl_2018168134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2018168134.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 167 ; scwrl3 -i /var/tmp/to_scwrl_419388677.pdb -s /var/tmp/to_scwrl_419388677.seq -o /var/tmp/from_scwrl_419388677.pdb > /var/tmp/scwrl_419388677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_419388677.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 167 ; scwrl3 -i /var/tmp/to_scwrl_1671788815.pdb -s /var/tmp/to_scwrl_1671788815.seq -o /var/tmp/from_scwrl_1671788815.pdb > /var/tmp/scwrl_1671788815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1671788815.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 167 ; scwrl3 -i /var/tmp/to_scwrl_1391092627.pdb -s /var/tmp/to_scwrl_1391092627.seq -o /var/tmp/from_scwrl_1391092627.pdb > /var/tmp/scwrl_1391092627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1391092627.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 167 ; scwrl3 -i /var/tmp/to_scwrl_417538032.pdb -s /var/tmp/to_scwrl_417538032.seq -o /var/tmp/from_scwrl_417538032.pdb > /var/tmp/scwrl_417538032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_417538032.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 103 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_663762272.pdb -s /var/tmp/to_scwrl_663762272.seq -o /var/tmp/from_scwrl_663762272.pdb > /var/tmp/scwrl_663762272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_663762272.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 67 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1612281083.pdb -s /var/tmp/to_scwrl_1612281083.seq -o /var/tmp/from_scwrl_1612281083.pdb > /var/tmp/scwrl_1612281083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1612281083.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 158 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_658336673.pdb -s /var/tmp/to_scwrl_658336673.seq -o /var/tmp/from_scwrl_658336673.pdb > /var/tmp/scwrl_658336673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_658336673.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 171 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_947589532.pdb -s /var/tmp/to_scwrl_947589532.seq -o /var/tmp/from_scwrl_947589532.pdb > /var/tmp/scwrl_947589532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_947589532.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 103 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_321797287.pdb -s /var/tmp/to_scwrl_321797287.seq -o /var/tmp/from_scwrl_321797287.pdb > /var/tmp/scwrl_321797287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_321797287.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 T0345 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_320401382.pdb -s /var/tmp/to_scwrl_320401382.seq -o /var/tmp/from_scwrl_320401382.pdb > /var/tmp/scwrl_320401382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_320401382.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 T0345 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_503484224.pdb -s /var/tmp/to_scwrl_503484224.seq -o /var/tmp/from_scwrl_503484224.pdb > /var/tmp/scwrl_503484224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503484224.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 T0345 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1416148974.pdb -s /var/tmp/to_scwrl_1416148974.seq -o /var/tmp/from_scwrl_1416148974.pdb > /var/tmp/scwrl_1416148974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1416148974.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 T0345 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_938924929.pdb -s /var/tmp/to_scwrl_938924929.seq -o /var/tmp/from_scwrl_938924929.pdb > /var/tmp/scwrl_938924929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_938924929.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 T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1701902016.pdb -s /var/tmp/to_scwrl_1701902016.seq -o /var/tmp/from_scwrl_1701902016.pdb > /var/tmp/scwrl_1701902016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1701902016.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 T0345 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1120363405.pdb -s /var/tmp/to_scwrl_1120363405.seq -o /var/tmp/from_scwrl_1120363405.pdb > /var/tmp/scwrl_1120363405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1120363405.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_581696526.pdb -s /var/tmp/to_scwrl_581696526.seq -o /var/tmp/from_scwrl_581696526.pdb > /var/tmp/scwrl_581696526.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_581696526.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 152 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_594536536.pdb -s /var/tmp/to_scwrl_594536536.seq -o /var/tmp/from_scwrl_594536536.pdb > /var/tmp/scwrl_594536536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_594536536.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 152 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1356855951.pdb -s /var/tmp/to_scwrl_1356855951.seq -o /var/tmp/from_scwrl_1356855951.pdb > /var/tmp/scwrl_1356855951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1356855951.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 152 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_609011388.pdb -s /var/tmp/to_scwrl_609011388.seq -o /var/tmp/from_scwrl_609011388.pdb > /var/tmp/scwrl_609011388.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_609011388.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 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_921996235.pdb -s /var/tmp/to_scwrl_921996235.seq -o /var/tmp/from_scwrl_921996235.pdb > /var/tmp/scwrl_921996235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_921996235.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 152 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_936247105.pdb -s /var/tmp/to_scwrl_936247105.seq -o /var/tmp/from_scwrl_936247105.pdb > /var/tmp/scwrl_936247105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_936247105.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 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1185038970.pdb -s /var/tmp/to_scwrl_1185038970.seq -o /var/tmp/from_scwrl_1185038970.pdb > /var/tmp/scwrl_1185038970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1185038970.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS2-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1445517519.pdb -s /var/tmp/to_scwrl_1445517519.seq -o /var/tmp/from_scwrl_1445517519.pdb > /var/tmp/scwrl_1445517519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1445517519.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS3-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_704479437.pdb -s /var/tmp/to_scwrl_704479437.seq -o /var/tmp/from_scwrl_704479437.pdb > /var/tmp/scwrl_704479437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_704479437.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 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2022899936.pdb -s /var/tmp/to_scwrl_2022899936.seq -o /var/tmp/from_scwrl_2022899936.pdb > /var/tmp/scwrl_2022899936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2022899936.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 129 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_915303165.pdb -s /var/tmp/to_scwrl_915303165.seq -o /var/tmp/from_scwrl_915303165.pdb > /var/tmp/scwrl_915303165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_915303165.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 72 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1226116125.pdb -s /var/tmp/to_scwrl_1226116125.seq -o /var/tmp/from_scwrl_1226116125.pdb > /var/tmp/scwrl_1226116125.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1226116125.pdb # conformation set from SCWRL output # naming current conformation RAPTOR-ACE_TS2-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_738976609.pdb -s /var/tmp/to_scwrl_738976609.seq -o /var/tmp/from_scwrl_738976609.pdb > /var/tmp/scwrl_738976609.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_738976609.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 138 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_597208883.pdb -s /var/tmp/to_scwrl_597208883.seq -o /var/tmp/from_scwrl_597208883.pdb > /var/tmp/scwrl_597208883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_597208883.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 72 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_737576536.pdb -s /var/tmp/to_scwrl_737576536.seq -o /var/tmp/from_scwrl_737576536.pdb > /var/tmp/scwrl_737576536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_737576536.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 152 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_609661096.pdb -s /var/tmp/to_scwrl_609661096.seq -o /var/tmp/from_scwrl_609661096.pdb > /var/tmp/scwrl_609661096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_609661096.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 158 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1016597561.pdb -s /var/tmp/to_scwrl_1016597561.seq -o /var/tmp/from_scwrl_1016597561.pdb > /var/tmp/scwrl_1016597561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016597561.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 142 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_261881704.pdb -s /var/tmp/to_scwrl_261881704.seq -o /var/tmp/from_scwrl_261881704.pdb > /var/tmp/scwrl_261881704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_261881704.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 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2000753723.pdb -s /var/tmp/to_scwrl_2000753723.seq -o /var/tmp/from_scwrl_2000753723.pdb > /var/tmp/scwrl_2000753723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2000753723.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 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1434135592.pdb -s /var/tmp/to_scwrl_1434135592.seq -o /var/tmp/from_scwrl_1434135592.pdb > /var/tmp/scwrl_1434135592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434135592.pdb # conformation set from SCWRL output # naming current conformation RAPTORESS_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_925643977.pdb -s /var/tmp/to_scwrl_925643977.seq -o /var/tmp/from_scwrl_925643977.pdb > /var/tmp/scwrl_925643977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_925643977.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 138 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1465551159.pdb -s /var/tmp/to_scwrl_1465551159.seq -o /var/tmp/from_scwrl_1465551159.pdb > /var/tmp/scwrl_1465551159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1465551159.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 140 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2092472265.pdb -s /var/tmp/to_scwrl_2092472265.seq -o /var/tmp/from_scwrl_2092472265.pdb > /var/tmp/scwrl_2092472265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2092472265.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 151 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1873233508.pdb -s /var/tmp/to_scwrl_1873233508.seq -o /var/tmp/from_scwrl_1873233508.pdb > /var/tmp/scwrl_1873233508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1873233508.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 151 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1787348447.pdb -s /var/tmp/to_scwrl_1787348447.seq -o /var/tmp/from_scwrl_1787348447.pdb > /var/tmp/scwrl_1787348447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1787348447.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 152 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_265390000.pdb -s /var/tmp/to_scwrl_265390000.seq -o /var/tmp/from_scwrl_265390000.pdb > /var/tmp/scwrl_265390000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_265390000.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_229234086.pdb -s /var/tmp/to_scwrl_229234086.seq -o /var/tmp/from_scwrl_229234086.pdb > /var/tmp/scwrl_229234086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_229234086.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 152 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1056013775.pdb -s /var/tmp/to_scwrl_1056013775.seq -o /var/tmp/from_scwrl_1056013775.pdb > /var/tmp/scwrl_1056013775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1056013775.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1204314928.pdb -s /var/tmp/to_scwrl_1204314928.seq -o /var/tmp/from_scwrl_1204314928.pdb > /var/tmp/scwrl_1204314928.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204314928.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 152 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1931136102.pdb -s /var/tmp/to_scwrl_1931136102.seq -o /var/tmp/from_scwrl_1931136102.pdb > /var/tmp/scwrl_1931136102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1931136102.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS5-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_28893534.pdb -s /var/tmp/to_scwrl_28893534.seq -o /var/tmp/from_scwrl_28893534.pdb > /var/tmp/scwrl_28893534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_28893534.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS1-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1786011454.pdb -s /var/tmp/to_scwrl_1786011454.seq -o /var/tmp/from_scwrl_1786011454.pdb > /var/tmp/scwrl_1786011454.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1786011454.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 175 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_378188992.pdb -s /var/tmp/to_scwrl_378188992.seq -o /var/tmp/from_scwrl_378188992.pdb > /var/tmp/scwrl_378188992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378188992.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 Skipped atom 31, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 137, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 399, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 509, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 558, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 675, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 704, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1385749485.pdb -s /var/tmp/to_scwrl_1385749485.seq -o /var/tmp/from_scwrl_1385749485.pdb > /var/tmp/scwrl_1385749485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1385749485.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 T0345 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_247539196.pdb -s /var/tmp/to_scwrl_247539196.seq -o /var/tmp/from_scwrl_247539196.pdb > /var/tmp/scwrl_247539196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_247539196.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 Skipped atom 3, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz Skipped atom 580, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL3.pdb.gz # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1300185226.pdb -s /var/tmp/to_scwrl_1300185226.seq -o /var/tmp/from_scwrl_1300185226.pdb > /var/tmp/scwrl_1300185226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1300185226.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 T0345 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_174512943.pdb -s /var/tmp/to_scwrl_174512943.seq -o /var/tmp/from_scwrl_174512943.pdb > /var/tmp/scwrl_174512943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_174512943.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 T0345 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1432578166.pdb -s /var/tmp/to_scwrl_1432578166.seq -o /var/tmp/from_scwrl_1432578166.pdb > /var/tmp/scwrl_1432578166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432578166.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 T0345 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_598219099.pdb -s /var/tmp/to_scwrl_598219099.seq -o /var/tmp/from_scwrl_598219099.pdb > /var/tmp/scwrl_598219099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_598219099.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 Skipped atom 31, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 137, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 403, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 513, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 562, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 679, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 708, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_878992380.pdb -s /var/tmp/to_scwrl_878992380.seq -o /var/tmp/from_scwrl_878992380.pdb > /var/tmp/scwrl_878992380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_878992380.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1307994455.pdb -s /var/tmp/to_scwrl_1307994455.seq -o /var/tmp/from_scwrl_1307994455.pdb > /var/tmp/scwrl_1307994455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1307994455.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 Skipped atom 71, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 89, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 179, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 397, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 555, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 648, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 673, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz Skipped atom 718, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL4.pdb.gz # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1513522263.pdb -s /var/tmp/to_scwrl_1513522263.seq -o /var/tmp/from_scwrl_1513522263.pdb > /var/tmp/scwrl_1513522263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1513522263.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 Skipped atom 7, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz Skipped atom 584, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL5.pdb.gz # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2105108506.pdb -s /var/tmp/to_scwrl_2105108506.seq -o /var/tmp/from_scwrl_2105108506.pdb > /var/tmp/scwrl_2105108506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2105108506.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL5-scwrl # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2046971064.pdb -s /var/tmp/to_scwrl_2046971064.seq -o /var/tmp/from_scwrl_2046971064.pdb > /var/tmp/scwrl_2046971064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2046971064.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 T0345 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2110731147.pdb -s /var/tmp/to_scwrl_2110731147.seq -o /var/tmp/from_scwrl_2110731147.pdb > /var/tmp/scwrl_2110731147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2110731147.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 T0345 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_695201395.pdb -s /var/tmp/to_scwrl_695201395.seq -o /var/tmp/from_scwrl_695201395.pdb > /var/tmp/scwrl_695201395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_695201395.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 T0345 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_509148514.pdb -s /var/tmp/to_scwrl_509148514.seq -o /var/tmp/from_scwrl_509148514.pdb > /var/tmp/scwrl_509148514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_509148514.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 T0345 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_979845061.pdb -s /var/tmp/to_scwrl_979845061.seq -o /var/tmp/from_scwrl_979845061.pdb > /var/tmp/scwrl_979845061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_979845061.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 138 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_957083100.pdb -s /var/tmp/to_scwrl_957083100.seq -o /var/tmp/from_scwrl_957083100.pdb > /var/tmp/scwrl_957083100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957083100.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_362418590.pdb -s /var/tmp/to_scwrl_362418590.seq -o /var/tmp/from_scwrl_362418590.pdb > /var/tmp/scwrl_362418590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362418590.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 151 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_266497006.pdb -s /var/tmp/to_scwrl_266497006.seq -o /var/tmp/from_scwrl_266497006.pdb > /var/tmp/scwrl_266497006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_266497006.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 169 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1882727076.pdb -s /var/tmp/to_scwrl_1882727076.seq -o /var/tmp/from_scwrl_1882727076.pdb > /var/tmp/scwrl_1882727076.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1882727076.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 154 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1827969750.pdb -s /var/tmp/to_scwrl_1827969750.seq -o /var/tmp/from_scwrl_1827969750.pdb > /var/tmp/scwrl_1827969750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1827969750.pdb # conformation set from SCWRL output # naming current conformation SP3_TS5-scwrl # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_211485624.pdb -s /var/tmp/to_scwrl_211485624.seq -o /var/tmp/from_scwrl_211485624.pdb > /var/tmp/scwrl_211485624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_211485624.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 123 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1608476937.pdb -s /var/tmp/to_scwrl_1608476937.seq -o /var/tmp/from_scwrl_1608476937.pdb > /var/tmp/scwrl_1608476937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1608476937.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 151 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1467834550.pdb -s /var/tmp/to_scwrl_1467834550.seq -o /var/tmp/from_scwrl_1467834550.pdb > /var/tmp/scwrl_1467834550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1467834550.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 171 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_476875625.pdb -s /var/tmp/to_scwrl_476875625.seq -o /var/tmp/from_scwrl_476875625.pdb > /var/tmp/scwrl_476875625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_476875625.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 151 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1837711023.pdb -s /var/tmp/to_scwrl_1837711023.seq -o /var/tmp/from_scwrl_1837711023.pdb > /var/tmp/scwrl_1837711023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1837711023.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 72 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_376364678.pdb -s /var/tmp/to_scwrl_376364678.seq -o /var/tmp/from_scwrl_376364678.pdb > /var/tmp/scwrl_376364678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_376364678.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 5 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1681190553.pdb -s /var/tmp/to_scwrl_1681190553.seq -o /var/tmp/from_scwrl_1681190553.pdb > /var/tmp/scwrl_1681190553.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681190553.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 172 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1621363479.pdb -s /var/tmp/to_scwrl_1621363479.seq -o /var/tmp/from_scwrl_1621363479.pdb > /var/tmp/scwrl_1621363479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621363479.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 151 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_405258212.pdb -s /var/tmp/to_scwrl_405258212.seq -o /var/tmp/from_scwrl_405258212.pdb > /var/tmp/scwrl_405258212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_405258212.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 151 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1319718361.pdb -s /var/tmp/to_scwrl_1319718361.seq -o /var/tmp/from_scwrl_1319718361.pdb > /var/tmp/scwrl_1319718361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319718361.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 T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1999552471.pdb -s /var/tmp/to_scwrl_1999552471.seq -o /var/tmp/from_scwrl_1999552471.pdb > /var/tmp/scwrl_1999552471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1999552471.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 T0345 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1791007697.pdb -s /var/tmp/to_scwrl_1791007697.seq -o /var/tmp/from_scwrl_1791007697.pdb > /var/tmp/scwrl_1791007697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1791007697.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 T0345 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1567257557.pdb -s /var/tmp/to_scwrl_1567257557.seq -o /var/tmp/from_scwrl_1567257557.pdb > /var/tmp/scwrl_1567257557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1567257557.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 T0345 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1152254050.pdb -s /var/tmp/to_scwrl_1152254050.seq -o /var/tmp/from_scwrl_1152254050.pdb > /var/tmp/scwrl_1152254050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1152254050.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 T0345 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1965520641.pdb -s /var/tmp/to_scwrl_1965520641.seq -o /var/tmp/from_scwrl_1965520641.pdb > /var/tmp/scwrl_1965520641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965520641.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_bnmx_TS5-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_852352077.pdb -s /var/tmp/to_scwrl_852352077.seq -o /var/tmp/from_scwrl_852352077.pdb > /var/tmp/scwrl_852352077.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_852352077.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 Skipped atom 31, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 137, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 403, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 513, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 562, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 679, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 708, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1750473149.pdb -s /var/tmp/to_scwrl_1750473149.seq -o /var/tmp/from_scwrl_1750473149.pdb > /var/tmp/scwrl_1750473149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1750473149.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 T0345 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_697029374.pdb -s /var/tmp/to_scwrl_697029374.seq -o /var/tmp/from_scwrl_697029374.pdb > /var/tmp/scwrl_697029374.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_697029374.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 3, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 584, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_12862885.pdb -s /var/tmp/to_scwrl_12862885.seq -o /var/tmp/from_scwrl_12862885.pdb > /var/tmp/scwrl_12862885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_12862885.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL3-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1116511766.pdb -s /var/tmp/to_scwrl_1116511766.seq -o /var/tmp/from_scwrl_1116511766.pdb > /var/tmp/scwrl_1116511766.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1116511766.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL4-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_654654233.pdb -s /var/tmp/to_scwrl_654654233.seq -o /var/tmp/from_scwrl_654654233.pdb > /var/tmp/scwrl_654654233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_654654233.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL5-scwrl # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2059833950.pdb -s /var/tmp/to_scwrl_2059833950.seq -o /var/tmp/from_scwrl_2059833950.pdb > /var/tmp/scwrl_2059833950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2059833950.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 141 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1079759266.pdb -s /var/tmp/to_scwrl_1079759266.seq -o /var/tmp/from_scwrl_1079759266.pdb > /var/tmp/scwrl_1079759266.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1079759266.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 152 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1349855628.pdb -s /var/tmp/to_scwrl_1349855628.seq -o /var/tmp/from_scwrl_1349855628.pdb > /var/tmp/scwrl_1349855628.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349855628.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 141 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_421498817.pdb -s /var/tmp/to_scwrl_421498817.seq -o /var/tmp/from_scwrl_421498817.pdb > /var/tmp/scwrl_421498817.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_421498817.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 151 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2059604327.pdb -s /var/tmp/to_scwrl_2059604327.seq -o /var/tmp/from_scwrl_2059604327.pdb > /var/tmp/scwrl_2059604327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2059604327.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 175 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_159455081.pdb -s /var/tmp/to_scwrl_159455081.seq -o /var/tmp/from_scwrl_159455081.pdb > /var/tmp/scwrl_159455081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159455081.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 T0345 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_783917407.pdb -s /var/tmp/to_scwrl_783917407.seq -o /var/tmp/from_scwrl_783917407.pdb > /var/tmp/scwrl_783917407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_783917407.pdb # conformation set from SCWRL output # naming current conformation beautshotbase_TS1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_178617686.pdb -s /var/tmp/to_scwrl_178617686.seq -o /var/tmp/from_scwrl_178617686.pdb > /var/tmp/scwrl_178617686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_178617686.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 Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 402, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 406, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 408, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 410, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz Skipped atom 412, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL2.pdb.gz # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2042182157.pdb -s /var/tmp/to_scwrl_2042182157.seq -o /var/tmp/from_scwrl_2042182157.pdb > /var/tmp/scwrl_2042182157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2042182157.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 T0345 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_464403510.pdb -s /var/tmp/to_scwrl_464403510.seq -o /var/tmp/from_scwrl_464403510.pdb > /var/tmp/scwrl_464403510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_464403510.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 T0345 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_390103310.pdb -s /var/tmp/to_scwrl_390103310.seq -o /var/tmp/from_scwrl_390103310.pdb > /var/tmp/scwrl_390103310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_390103310.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 T0345 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1503175447.pdb -s /var/tmp/to_scwrl_1503175447.seq -o /var/tmp/from_scwrl_1503175447.pdb > /var/tmp/scwrl_1503175447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1503175447.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL1.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL1.pdb.gz Skipped atom 162, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL1.pdb.gz Skipped atom 164, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL1.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL1.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL1.pdb.gz # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1932238060.pdb -s /var/tmp/to_scwrl_1932238060.seq -o /var/tmp/from_scwrl_1932238060.pdb > /var/tmp/scwrl_1932238060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932238060.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_866978935.pdb -s /var/tmp/to_scwrl_866978935.seq -o /var/tmp/from_scwrl_866978935.pdb > /var/tmp/scwrl_866978935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_866978935.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1193402824.pdb -s /var/tmp/to_scwrl_1193402824.seq -o /var/tmp/from_scwrl_1193402824.pdb > /var/tmp/scwrl_1193402824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1193402824.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_161119092.pdb -s /var/tmp/to_scwrl_161119092.seq -o /var/tmp/from_scwrl_161119092.pdb > /var/tmp/scwrl_161119092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161119092.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_400685842.pdb -s /var/tmp/to_scwrl_400685842.seq -o /var/tmp/from_scwrl_400685842.pdb > /var/tmp/scwrl_400685842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_400685842.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_667282657.pdb -s /var/tmp/to_scwrl_667282657.seq -o /var/tmp/from_scwrl_667282657.pdb > /var/tmp/scwrl_667282657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667282657.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_566377304.pdb -s /var/tmp/to_scwrl_566377304.seq -o /var/tmp/from_scwrl_566377304.pdb > /var/tmp/scwrl_566377304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_566377304.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 149 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1720404203.pdb -s /var/tmp/to_scwrl_1720404203.seq -o /var/tmp/from_scwrl_1720404203.pdb > /var/tmp/scwrl_1720404203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720404203.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 167 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_519351481.pdb -s /var/tmp/to_scwrl_519351481.seq -o /var/tmp/from_scwrl_519351481.pdb > /var/tmp/scwrl_519351481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_519351481.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 144 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_209901355.pdb -s /var/tmp/to_scwrl_209901355.seq -o /var/tmp/from_scwrl_209901355.pdb > /var/tmp/scwrl_209901355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209901355.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 182 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1140178113.pdb -s /var/tmp/to_scwrl_1140178113.seq -o /var/tmp/from_scwrl_1140178113.pdb > /var/tmp/scwrl_1140178113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140178113.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1671605531.pdb -s /var/tmp/to_scwrl_1671605531.seq -o /var/tmp/from_scwrl_1671605531.pdb > /var/tmp/scwrl_1671605531.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1671605531.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_27938349.pdb -s /var/tmp/to_scwrl_27938349.seq -o /var/tmp/from_scwrl_27938349.pdb > /var/tmp/scwrl_27938349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_27938349.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 183 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1992530190.pdb -s /var/tmp/to_scwrl_1992530190.seq -o /var/tmp/from_scwrl_1992530190.pdb > /var/tmp/scwrl_1992530190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1992530190.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 T0345 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1274595033.pdb -s /var/tmp/to_scwrl_1274595033.seq -o /var/tmp/from_scwrl_1274595033.pdb > /var/tmp/scwrl_1274595033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1274595033.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 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_724967723.pdb -s /var/tmp/to_scwrl_724967723.seq -o /var/tmp/from_scwrl_724967723.pdb > /var/tmp/scwrl_724967723.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_724967723.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 T0345 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2005393075.pdb -s /var/tmp/to_scwrl_2005393075.seq -o /var/tmp/from_scwrl_2005393075.pdb > /var/tmp/scwrl_2005393075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005393075.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 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_243623153.pdb -s /var/tmp/to_scwrl_243623153.seq -o /var/tmp/from_scwrl_243623153.pdb > /var/tmp/scwrl_243623153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_243623153.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 T0345 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 167 ; scwrl3 -i /var/tmp/to_scwrl_1379621956.pdb -s /var/tmp/to_scwrl_1379621956.seq -o /var/tmp/from_scwrl_1379621956.pdb > /var/tmp/scwrl_1379621956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379621956.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 167 ; scwrl3 -i /var/tmp/to_scwrl_1917743378.pdb -s /var/tmp/to_scwrl_1917743378.seq -o /var/tmp/from_scwrl_1917743378.pdb > /var/tmp/scwrl_1917743378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1917743378.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 28 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1323382419.pdb -s /var/tmp/to_scwrl_1323382419.seq -o /var/tmp/from_scwrl_1323382419.pdb > /var/tmp/scwrl_1323382419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323382419.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 167 ; scwrl3 -i /var/tmp/to_scwrl_581993938.pdb -s /var/tmp/to_scwrl_581993938.seq -o /var/tmp/from_scwrl_581993938.pdb > /var/tmp/scwrl_581993938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_581993938.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 167 ; scwrl3 -i /var/tmp/to_scwrl_191758548.pdb -s /var/tmp/to_scwrl_191758548.seq -o /var/tmp/from_scwrl_191758548.pdb > /var/tmp/scwrl_191758548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_191758548.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 167 ; scwrl3 -i /var/tmp/to_scwrl_1235503099.pdb -s /var/tmp/to_scwrl_1235503099.seq -o /var/tmp/from_scwrl_1235503099.pdb > /var/tmp/scwrl_1235503099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235503099.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS5-scwrl # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_741449019.pdb -s /var/tmp/to_scwrl_741449019.seq -o /var/tmp/from_scwrl_741449019.pdb > /var/tmp/scwrl_741449019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_741449019.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 T0345 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_975675956.pdb -s /var/tmp/to_scwrl_975675956.seq -o /var/tmp/from_scwrl_975675956.pdb > /var/tmp/scwrl_975675956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_975675956.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 T0345 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1414120785.pdb -s /var/tmp/to_scwrl_1414120785.seq -o /var/tmp/from_scwrl_1414120785.pdb > /var/tmp/scwrl_1414120785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1414120785.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 T0345 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_636147529.pdb -s /var/tmp/to_scwrl_636147529.seq -o /var/tmp/from_scwrl_636147529.pdb > /var/tmp/scwrl_636147529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_636147529.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 T0345 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1440079465.pdb -s /var/tmp/to_scwrl_1440079465.seq -o /var/tmp/from_scwrl_1440079465.pdb > /var/tmp/scwrl_1440079465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1440079465.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 T0345 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_1804224096.pdb -s /var/tmp/to_scwrl_1804224096.seq -o /var/tmp/from_scwrl_1804224096.pdb > /var/tmp/scwrl_1804224096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1804224096.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 T0345 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl3 -i /var/tmp/to_scwrl_2139322976.pdb -s /var/tmp/to_scwrl_2139322976.seq -o /var/tmp/from_scwrl_2139322976.pdb > /var/tmp/scwrl_2139322976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2139322976.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 37.084 sec, elapsed time= 440.187 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 51.160 real_cost = -324.129 shub_TS1 costs 51.161 real_cost = -328.153 nFOLD_TS5-scwrl costs 102.796 real_cost = 274.253 nFOLD_TS5 costs 102.810 real_cost = 363.817 nFOLD_TS4-scwrl costs 73.828 real_cost = 165.251 nFOLD_TS4 costs 74.078 real_cost = 242.714 nFOLD_TS3-scwrl costs 94.434 real_cost = 178.478 nFOLD_TS3 costs 94.453 real_cost = 259.752 nFOLD_TS2-scwrl costs 85.821 real_cost = 191.347 nFOLD_TS2 costs 85.829 real_cost = 268.120 nFOLD_TS1-scwrl costs 55.424 real_cost = -305.109 nFOLD_TS1 costs 55.435 real_cost = -199.346 mGen-3D_TS1-scwrl costs 58.363 real_cost = -263.575 mGen-3D_TS1 costs 58.383 real_cost = -158.051 keasar-server_TS5-scwrl costs 81.344 real_cost = 207.156 keasar-server_TS5 costs 81.344 real_cost = 208.901 keasar-server_TS4-scwrl costs 53.128 real_cost = -273.091 keasar-server_TS4 costs 53.128 real_cost = -269.963 keasar-server_TS3-scwrl costs 55.045 real_cost = -292.512 keasar-server_TS3 costs 55.045 real_cost = -299.439 keasar-server_TS2-scwrl costs 56.023 real_cost = -256.748 keasar-server_TS2 costs 56.023 real_cost = -260.227 keasar-server_TS1-scwrl costs 57.347 real_cost = -198.718 keasar-server_TS1 costs 57.347 real_cost = -208.332 karypis.srv_TS5-scwrl costs 84.347 real_cost = 158.424 karypis.srv_TS5 costs 84.347 real_cost = 160.754 karypis.srv_TS4-scwrl costs 76.466 real_cost = 88.299 karypis.srv_TS4 costs 76.466 real_cost = 88.299 karypis.srv_TS3-scwrl costs 73.029 real_cost = 101.246 karypis.srv_TS3 costs 73.016 real_cost = 97.544 karypis.srv_TS2-scwrl costs 84.651 real_cost = 149.830 karypis.srv_TS2 costs 84.651 real_cost = 149.258 karypis.srv_TS1-scwrl costs 72.859 real_cost = 142.016 karypis.srv_TS1 costs 72.859 real_cost = 142.042 karypis.srv.4_TS5-scwrl costs 123.141 real_cost = 302.921 karypis.srv.4_TS5 costs 123.141 real_cost = 302.921 karypis.srv.4_TS4-scwrl costs 150.147 real_cost = 335.339 karypis.srv.4_TS4 costs 150.147 real_cost = 333.875 karypis.srv.4_TS2-scwrl costs 138.833 real_cost = 311.520 karypis.srv.4_TS2 costs 138.833 real_cost = 311.520 karypis.srv.4_TS1-scwrl costs 132.383 real_cost = 309.424 karypis.srv.4_TS1 costs 132.383 real_cost = 309.424 karypis.srv.2_TS5-scwrl costs 69.373 real_cost = 159.275 karypis.srv.2_TS5 costs 69.373 real_cost = 158.719 karypis.srv.2_TS4-scwrl costs 65.241 real_cost = 89.950 karypis.srv.2_TS4 costs 65.241 real_cost = 88.075 karypis.srv.2_TS3-scwrl costs 80.243 real_cost = 66.085 karypis.srv.2_TS3 costs 80.243 real_cost = 67.155 karypis.srv.2_TS2-scwrl costs 79.484 real_cost = 111.039 karypis.srv.2_TS2 costs 79.484 real_cost = 111.651 karypis.srv.2_TS1-scwrl costs 59.935 real_cost = 59.763 karypis.srv.2_TS1 costs 59.935 real_cost = 59.474 gtg_AL5-scwrl costs 95.776 real_cost = 215.947 gtg_AL5 costs 95.789 real_cost = 296.743 gtg_AL4-scwrl costs 110.051 real_cost = 243.455 gtg_AL4 costs 110.223 real_cost = 330.979 gtg_AL3-scwrl costs 90.342 real_cost = 203.230 gtg_AL3 costs 90.286 real_cost = 286.826 gtg_AL2-scwrl costs 107.476 real_cost = 272.806 gtg_AL2 costs 107.626 real_cost = 352.619 gtg_AL1-scwrl costs 85.252 real_cost = 171.232 gtg_AL1 costs 85.419 real_cost = 259.038 forecast-s_AL5-scwrl costs 88.138 real_cost = 237.357 forecast-s_AL5 costs 88.204 real_cost = 339.233 forecast-s_AL4-scwrl costs 78.599 real_cost = 180.270 forecast-s_AL4 costs 78.596 real_cost = 254.989 forecast-s_AL3-scwrl costs 72.365 real_cost = 121.450 forecast-s_AL3 costs 72.453 real_cost = 206.782 forecast-s_AL2-scwrl costs 76.309 real_cost = 139.507 forecast-s_AL2 costs 76.289 real_cost = 215.747 forecast-s_AL1-scwrl costs 54.461 real_cost = -319.488 forecast-s_AL1 costs 54.446 real_cost = -187.135 beautshotbase_TS1-scwrl costs 55.481 real_cost = -286.985 beautshotbase_TS1 costs 55.483 real_cost = -287.299 beautshot_TS1-scwrl costs 62.778 real_cost = -223.977 beautshot_TS1 costs 62.778 real_cost = -212.717 Zhang-Server_TS5-scwrl costs 60.332 real_cost = -316.956 Zhang-Server_TS5 costs 60.332 real_cost = -316.956 Zhang-Server_TS4-scwrl costs 51.947 real_cost = -322.694 Zhang-Server_TS4 costs 51.947 real_cost = -322.694 Zhang-Server_TS3-scwrl costs 55.140 real_cost = -319.703 Zhang-Server_TS3 costs 55.140 real_cost = -318.095 Zhang-Server_TS2-scwrl costs 54.398 real_cost = -312.255 Zhang-Server_TS2 costs 54.398 real_cost = -312.255 Zhang-Server_TS1-scwrl costs 53.933 real_cost = -318.754 Zhang-Server_TS1 costs 53.933 real_cost = -318.754 UNI-EID_sfst_AL5-scwrl costs 76.335 real_cost = 165.675 UNI-EID_sfst_AL5 costs 76.570 real_cost = 247.434 UNI-EID_sfst_AL4-scwrl costs 90.330 real_cost = 229.763 UNI-EID_sfst_AL4 costs 90.377 real_cost = 307.658 UNI-EID_sfst_AL3-scwrl costs 62.557 real_cost = -118.697 UNI-EID_sfst_AL3 costs 62.530 real_cost = 13.900 UNI-EID_sfst_AL2-scwrl costs 55.120 real_cost = -308.215 UNI-EID_sfst_AL2 costs 55.091 real_cost = -170.655 UNI-EID_sfst_AL1-scwrl costs 52.737 real_cost = -329.052 UNI-EID_sfst_AL1 costs 52.737 real_cost = -188.838 UNI-EID_expm_TS1-scwrl costs 79.367 real_cost = -164.321 UNI-EID_expm_TS1 costs 79.367 real_cost = -172.064 UNI-EID_bnmx_TS5-scwrl costs 76.681 real_cost = 168.038 UNI-EID_bnmx_TS5 costs 76.909 real_cost = 249.542 UNI-EID_bnmx_TS4-scwrl costs 87.043 real_cost = 215.878 UNI-EID_bnmx_TS4 costs 87.295 real_cost = 292.458 UNI-EID_bnmx_TS3-scwrl costs 62.350 real_cost = -121.070 UNI-EID_bnmx_TS3 costs 62.320 real_cost = 13.343 UNI-EID_bnmx_TS2-scwrl costs 53.011 real_cost = -328.940 UNI-EID_bnmx_TS2 costs 53.013 real_cost = -189.446 UNI-EID_bnmx_TS1-scwrl costs 53.603 real_cost = -323.047 UNI-EID_bnmx_TS1 costs 53.603 real_cost = -177.748 SPARKS2_TS5-scwrl costs 58.761 real_cost = 51.681 SPARKS2_TS5 costs 58.761 real_cost = 54.998 SPARKS2_TS4-scwrl costs 66.549 real_cost = 118.168 SPARKS2_TS4 costs 66.549 real_cost = 116.637 SPARKS2_TS3-scwrl costs 82.930 real_cost = 100.210 SPARKS2_TS3 costs 82.930 real_cost = 107.739 SPARKS2_TS2-scwrl costs 57.341 real_cost = -117.122 SPARKS2_TS2 costs 57.341 real_cost = -124.350 SPARKS2_TS1-scwrl costs 50.632 real_cost = -273.977 SPARKS2_TS1 costs 50.632 real_cost = -283.901 SP4_TS5-scwrl costs 65.200 real_cost = 84.876 SP4_TS5 costs 65.200 real_cost = 86.681 SP4_TS4-scwrl costs 77.316 real_cost = 120.378 SP4_TS4 costs 77.316 real_cost = 129.646 SP4_TS3-scwrl costs 72.609 real_cost = 103.040 SP4_TS3 costs 72.609 real_cost = 95.787 SP4_TS2-scwrl costs 58.165 real_cost = -103.468 SP4_TS2 costs 58.165 real_cost = -110.978 SP4_TS1-scwrl costs 50.550 real_cost = -283.633 SP4_TS1 costs 50.550 real_cost = -296.206 SP3_TS5-scwrl costs 68.401 real_cost = 107.123 SP3_TS5 costs 68.401 real_cost = 99.778 SP3_TS4-scwrl costs 74.829 real_cost = 111.835 SP3_TS4 costs 74.829 real_cost = 111.364 SP3_TS3-scwrl costs 73.690 real_cost = 108.058 SP3_TS3 costs 73.690 real_cost = 106.827 SP3_TS2-scwrl costs 56.197 real_cost = -112.615 SP3_TS2 costs 56.197 real_cost = -117.000 SP3_TS1-scwrl costs 48.949 real_cost = -279.642 SP3_TS1 costs 48.949 real_cost = -290.734 SAM_T06_server_TS5-scwrl costs 98.020 real_cost = 292.001 SAM_T06_server_TS5 costs 97.887 real_cost = 222.852 SAM_T06_server_TS4-scwrl costs 71.591 real_cost = -29.518 SAM_T06_server_TS4 costs 71.528 real_cost = -75.424 SAM_T06_server_TS3-scwrl costs 74.724 real_cost = -54.333 SAM_T06_server_TS3 costs 74.645 real_cost = -128.966 SAM_T06_server_TS2-scwrl costs 59.749 real_cost = -163.956 SAM_T06_server_TS2 costs 59.750 real_cost = -202.830 SAM_T06_server_TS1-scwrl costs 61.442 real_cost = -300.861 SAM_T06_server_TS1 costs 61.442 real_cost = -296.984 SAM-T99_AL5-scwrl costs 67.542 real_cost = -108.135 SAM-T99_AL5 costs 67.577 real_cost = -0.136 SAM-T99_AL4-scwrl costs 53.905 real_cost = -308.125 SAM-T99_AL4 costs 53.890 real_cost = -182.512 SAM-T99_AL3-scwrl costs 55.494 real_cost = -318.629 SAM-T99_AL3 costs 55.479 real_cost = -182.178 SAM-T99_AL2-scwrl costs 53.057 real_cost = -320.968 SAM-T99_AL2 costs 53.057 real_cost = -179.414 SAM-T99_AL1-scwrl costs 55.806 real_cost = -247.118 SAM-T99_AL1 costs 55.808 real_cost = -90.625 SAM-T02_AL5-scwrl costs 82.607 real_cost = 131.657 SAM-T02_AL5 costs 82.627 real_cost = 199.680 SAM-T02_AL4-scwrl costs 88.495 real_cost = 168.058 SAM-T02_AL4 costs 88.647 real_cost = 234.176 SAM-T02_AL3-scwrl costs 63.902 real_cost = -110.362 SAM-T02_AL3 costs 63.914 real_cost = 9.938 SAM-T02_AL2-scwrl costs 56.688 real_cost = -302.955 SAM-T02_AL2 costs 56.705 real_cost = -175.656 SAM-T02_AL1-scwrl costs 55.002 real_cost = -312.875 SAM-T02_AL1 costs 55.002 real_cost = -175.215 ROKKY_TS3-scwrl costs 69.695 real_cost = 81.040 ROKKY_TS3 costs 69.695 real_cost = 86.909 ROKKY_TS2-scwrl costs 49.013 real_cost = -295.785 ROKKY_TS2 costs 49.013 real_cost = -305.599 ROKKY_TS1-scwrl costs 49.960 real_cost = -325.186 ROKKY_TS1 costs 49.960 real_cost = -337.233 ROBETTA_TS5-scwrl costs 47.902 real_cost = -317.528 ROBETTA_TS5 costs 47.902 real_cost = -327.436 ROBETTA_TS4-scwrl costs 49.101 real_cost = -345.319 ROBETTA_TS4 costs 49.101 real_cost = -355.788 ROBETTA_TS3-scwrl costs 47.439 real_cost = -350.907 ROBETTA_TS3 costs 47.439 real_cost = -363.848 ROBETTA_TS2-scwrl costs 47.501 real_cost = -334.680 ROBETTA_TS2 costs 47.501 real_cost = -342.388 ROBETTA_TS1-scwrl costs 48.573 real_cost = -341.586 ROBETTA_TS1 costs 48.573 real_cost = -353.144 RAPTOR_TS5-scwrl costs 65.150 real_cost = 105.384 RAPTOR_TS5 costs 65.150 real_cost = 108.951 RAPTOR_TS4-scwrl costs 69.889 real_cost = 44.946 RAPTOR_TS4 costs 69.889 real_cost = 46.574 RAPTOR_TS3-scwrl costs 57.331 real_cost = -108.132 RAPTOR_TS3 costs 57.331 real_cost = -114.478 RAPTOR_TS2-scwrl costs 49.149 real_cost = -293.024 RAPTOR_TS2 costs 49.149 real_cost = -297.211 RAPTOR_TS1-scwrl costs 49.726 real_cost = -306.144 RAPTOR_TS1 costs 49.726 real_cost = -321.366 RAPTORESS_TS5-scwrl costs 76.093 real_cost = 110.334 RAPTORESS_TS5 costs 76.093 real_cost = 121.387 RAPTORESS_TS4-scwrl costs 71.671 real_cost = 48.430 RAPTORESS_TS4 costs 71.671 real_cost = 57.715 RAPTORESS_TS3-scwrl costs 62.470 real_cost = -85.052 RAPTORESS_TS3 costs 62.470 real_cost = -88.478 RAPTORESS_TS2-scwrl costs 51.650 real_cost = -289.006 RAPTORESS_TS2 costs 51.650 real_cost = -294.382 RAPTORESS_TS1-scwrl costs 53.657 real_cost = -270.618 RAPTORESS_TS1 costs 53.657 real_cost = -296.798 RAPTOR-ACE_TS5-scwrl costs 49.711 real_cost = -298.824 RAPTOR-ACE_TS5 costs 49.711 real_cost = -309.643 RAPTOR-ACE_TS4-scwrl costs 48.949 real_cost = -279.642 RAPTOR-ACE_TS4 costs 48.949 real_cost = -290.734 RAPTOR-ACE_TS3-scwrl costs 49.296 real_cost = -301.108 RAPTOR-ACE_TS3 costs 49.296 real_cost = -310.541 RAPTOR-ACE_TS2-scwrl costs 46.492 real_cost = -251.705 RAPTOR-ACE_TS2 costs 46.492 real_cost = -267.254 RAPTOR-ACE_TS1-scwrl costs 50.251 real_cost = -275.896 RAPTOR-ACE_TS1 costs 50.251 real_cost = -283.766 Pmodeller6_TS5-scwrl costs 47.902 real_cost = -317.528 Pmodeller6_TS5 costs 47.902 real_cost = -327.436 Pmodeller6_TS4-scwrl costs 51.722 real_cost = -315.699 Pmodeller6_TS4 costs 51.696 real_cost = -312.968 Pmodeller6_TS3-scwrl costs 51.722 real_cost = -315.699 Pmodeller6_TS3 costs 51.696 real_cost = -312.968 Pmodeller6_TS2-scwrl costs 52.049 real_cost = -296.910 Pmodeller6_TS2 costs 52.016 real_cost = -298.248 Pmodeller6_TS1-scwrl costs 49.101 real_cost = -345.319 Pmodeller6_TS1 costs 49.101 real_cost = -355.788 Phyre-2_TS5-scwrl costs 47.916 real_cost = -298.427 Phyre-2_TS5 costs 47.916 real_cost = -295.414 Phyre-2_TS4-scwrl costs 47.859 real_cost = -300.875 Phyre-2_TS4 costs 47.859 real_cost = -297.949 Phyre-2_TS3-scwrl costs 48.343 real_cost = -306.539 Phyre-2_TS3 costs 48.343 real_cost = -303.363 Phyre-2_TS2-scwrl costs 47.850 real_cost = -292.964 Phyre-2_TS2 costs 47.850 real_cost = -289.917 Phyre-2_TS1-scwrl costs 49.367 real_cost = -301.351 Phyre-2_TS1 costs 49.367 real_cost = -297.809 Phyre-1_TS1-scwrl costs 48.678 real_cost = -330.637 Phyre-1_TS1 costs 48.680 real_cost = -329.422 Pcons6_TS5-scwrl costs 54.955 real_cost = -280.401 Pcons6_TS5 costs 54.955 real_cost = -280.449 Pcons6_TS4-scwrl costs 49.946 real_cost = -289.655 Pcons6_TS4 costs 49.920 real_cost = -288.793 Pcons6_TS3-scwrl costs 50.422 real_cost = -306.318 Pcons6_TS3 costs 50.417 real_cost = -311.425 Pcons6_TS2-scwrl costs 51.722 real_cost = -315.699 Pcons6_TS2 costs 51.696 real_cost = -312.968 Pcons6_TS1-scwrl costs 52.113 real_cost = -306.417 Pcons6_TS1 costs 52.079 real_cost = -308.580 PROTINFO_TS5-scwrl costs 54.185 real_cost = -282.412 PROTINFO_TS5 costs 54.185 real_cost = -308.752 PROTINFO_TS4-scwrl costs 69.997 real_cost = 57.686 PROTINFO_TS4 costs 69.997 real_cost = 60.020 PROTINFO_TS3-scwrl costs 62.199 real_cost = -113.324 PROTINFO_TS3 costs 62.199 real_cost = -120.560 PROTINFO_TS2-scwrl costs 57.126 real_cost = -255.194 PROTINFO_TS2 costs 57.126 real_cost = -272.677 PROTINFO_TS1-scwrl costs 53.482 real_cost = -309.994 PROTINFO_TS1 costs 53.482 real_cost = -313.446 PROTINFO-AB_TS5-scwrl costs 57.419 real_cost = -246.902 PROTINFO-AB_TS5 costs 57.419 real_cost = -272.405 PROTINFO-AB_TS4-scwrl costs 51.714 real_cost = -263.379 PROTINFO-AB_TS4 costs 51.714 real_cost = -292.264 PROTINFO-AB_TS3-scwrl costs 54.468 real_cost = -264.047 PROTINFO-AB_TS3 costs 54.468 real_cost = -281.114 PROTINFO-AB_TS2-scwrl costs 53.604 real_cost = -250.373 PROTINFO-AB_TS2 costs 53.604 real_cost = -276.327 PROTINFO-AB_TS1-scwrl costs 58.324 real_cost = -246.309 PROTINFO-AB_TS1 costs 58.324 real_cost = -270.109 NN_PUT_lab_TS1-scwrl costs 50.632 real_cost = -273.977 NN_PUT_lab_TS1 costs 50.632 real_cost = -283.901 MetaTasser_TS5-scwrl costs 93.744 real_cost = -26.871 MetaTasser_TS5 costs 93.744 real_cost = -25.297 MetaTasser_TS4-scwrl costs 94.331 real_cost = 18.086 MetaTasser_TS4 costs 94.331 real_cost = 15.821 MetaTasser_TS3-scwrl costs 93.496 real_cost = 76.153 MetaTasser_TS3 costs 93.496 real_cost = 71.420 MetaTasser_TS2-scwrl costs 104.397 real_cost = -14.667 MetaTasser_TS2 costs 104.397 real_cost = -20.963 MetaTasser_TS1-scwrl costs 65.605 real_cost = -227.809 MetaTasser_TS1 costs 65.605 real_cost = -222.087 Ma-OPUS-server_TS5-scwrl costs 73.368 real_cost = 146.012 Ma-OPUS-server_TS5 costs 73.368 real_cost = 142.322 Ma-OPUS-server_TS4-scwrl costs 62.883 real_cost = 82.689 Ma-OPUS-server_TS4 costs 62.883 real_cost = 85.734 Ma-OPUS-server_TS3-scwrl costs 67.965 real_cost = 100.384 Ma-OPUS-server_TS3 costs 67.965 real_cost = 97.836 Ma-OPUS-server_TS2-scwrl costs 46.853 real_cost = -284.189 Ma-OPUS-server_TS2 costs 46.853 real_cost = -296.117 Ma-OPUS-server_TS1-scwrl costs 49.907 real_cost = -286.664 Ma-OPUS-server_TS1 costs 49.907 real_cost = -287.415 Ma-OPUS-server2_TS5-scwrl costs 67.031 real_cost = 111.392 Ma-OPUS-server2_TS5 costs 67.031 real_cost = 109.736 Ma-OPUS-server2_TS4-scwrl costs 67.965 real_cost = 100.384 Ma-OPUS-server2_TS4 costs 67.965 real_cost = 97.836 Ma-OPUS-server2_TS3-scwrl costs 63.688 real_cost = 85.961 Ma-OPUS-server2_TS3 costs 63.688 real_cost = 81.240 Ma-OPUS-server2_TS2-scwrl costs 50.184 real_cost = -284.769 Ma-OPUS-server2_TS2 costs 50.184 real_cost = -288.513 Ma-OPUS-server2_TS1-scwrl costs 49.907 real_cost = -286.664 Ma-OPUS-server2_TS1 costs 49.907 real_cost = -287.415 LOOPP_TS5-scwrl costs 72.902 real_cost = 126.413 LOOPP_TS5 costs 72.896 real_cost = 132.277 LOOPP_TS4-scwrl costs 87.594 real_cost = 317.614 LOOPP_TS4 costs 87.592 real_cost = 319.352 LOOPP_TS3-scwrl costs 58.057 real_cost = -72.248 LOOPP_TS3 costs 58.054 real_cost = -65.577 LOOPP_TS2-scwrl costs 64.597 real_cost = -202.962 LOOPP_TS2 costs 64.564 real_cost = -196.715 LOOPP_TS1-scwrl costs 59.000 real_cost = -247.045 LOOPP_TS1 costs 59.000 real_cost = -236.525 Huber-Torda-Server_TS5-scwrl costs 122.517 real_cost = 440.231 Huber-Torda-Server_TS5 costs 122.571 real_cost = 480.679 Huber-Torda-Server_TS4-scwrl costs 107.109 real_cost = 387.769 Huber-Torda-Server_TS4 costs 107.325 real_cost = 437.997 Huber-Torda-Server_TS3-scwrl costs 66.435 real_cost = -45.570 Huber-Torda-Server_TS3 costs 66.450 real_cost = 49.161 Huber-Torda-Server_TS2-scwrl costs 50.964 real_cost = -335.010 Huber-Torda-Server_TS2 costs 50.966 real_cost = -225.136 Huber-Torda-Server_TS1-scwrl costs 53.664 real_cost = -325.641 Huber-Torda-Server_TS1 costs 53.666 real_cost = -218.922 HHpred3_TS1-scwrl costs 53.445 real_cost = -232.644 HHpred3_TS1 costs 53.445 real_cost = -247.163 HHpred2_TS1-scwrl costs 53.874 real_cost = -243.827 HHpred2_TS1 costs 53.874 real_cost = -255.636 HHpred1_TS1-scwrl costs 54.549 real_cost = -241.891 HHpred1_TS1 costs 54.549 real_cost = -245.874 GeneSilicoMetaServer_TS5-scwrl costs 52.515 real_cost = -297.546 GeneSilicoMetaServer_TS5 costs 52.515 real_cost = -313.514 GeneSilicoMetaServer_TS4-scwrl costs 51.717 real_cost = -287.849 GeneSilicoMetaServer_TS4 costs 51.717 real_cost = -301.843 GeneSilicoMetaServer_TS3-scwrl costs 50.042 real_cost = -276.935 GeneSilicoMetaServer_TS3 costs 50.042 real_cost = -282.836 GeneSilicoMetaServer_TS2-scwrl costs 49.108 real_cost = -279.154 GeneSilicoMetaServer_TS2 costs 49.108 real_cost = -286.574 GeneSilicoMetaServer_TS1-scwrl costs 48.573 real_cost = -259.240 GeneSilicoMetaServer_TS1 costs 48.573 real_cost = -275.003 FUNCTION_TS5-scwrl costs 58.579 real_cost = -279.305 FUNCTION_TS5 costs 58.579 real_cost = -288.159 FUNCTION_TS4-scwrl costs 58.432 real_cost = -290.516 FUNCTION_TS4 costs 58.432 real_cost = -308.599 FUNCTION_TS3-scwrl costs 58.759 real_cost = -274.304 FUNCTION_TS3 costs 58.759 real_cost = -288.343 FUNCTION_TS2-scwrl costs 56.073 real_cost = -276.589 FUNCTION_TS2 costs 56.073 real_cost = -295.185 FUNCTION_TS1-scwrl costs 58.545 real_cost = -276.643 FUNCTION_TS1 costs 58.545 real_cost = -304.819 FUGUE_AL5-scwrl costs 110.185 real_cost = 257.360 FUGUE_AL5 costs 110.193 real_cost = 382.469 FUGUE_AL4-scwrl costs 75.348 real_cost = 171.718 FUGUE_AL4 costs 75.335 real_cost = 271.909 FUGUE_AL3-scwrl costs 95.280 real_cost = 213.072 FUGUE_AL3 costs 95.281 real_cost = 315.904 FUGUE_AL2-scwrl costs 85.713 real_cost = 258.854 FUGUE_AL2 costs 85.772 real_cost = 355.326 FUGUE_AL1-scwrl costs 53.719 real_cost = -281.785 FUGUE_AL1 costs 53.739 real_cost = -145.517 FUGMOD_TS5-scwrl costs 102.376 real_cost = 229.618 FUGMOD_TS5 costs 102.382 real_cost = 232.603 FUGMOD_TS4-scwrl costs 77.212 real_cost = 118.412 FUGMOD_TS4 costs 77.212 real_cost = 114.302 FUGMOD_TS3-scwrl costs 92.053 real_cost = 161.044 FUGMOD_TS3 costs 92.056 real_cost = 157.418 FUGMOD_TS2-scwrl costs 90.964 real_cost = 218.126 FUGMOD_TS2 costs 91.011 real_cost = 218.911 FUGMOD_TS1-scwrl costs 51.283 real_cost = -281.238 FUGMOD_TS1 costs 51.285 real_cost = -294.617 FPSOLVER-SERVER_TS5-scwrl costs 132.760 real_cost = 341.165 FPSOLVER-SERVER_TS5 costs 132.760 real_cost = 340.763 FPSOLVER-SERVER_TS4-scwrl costs 129.637 real_cost = 322.717 FPSOLVER-SERVER_TS4 costs 129.637 real_cost = 325.978 FPSOLVER-SERVER_TS3-scwrl costs 123.914 real_cost = 329.993 FPSOLVER-SERVER_TS3 costs 123.914 real_cost = 330.899 FPSOLVER-SERVER_TS2-scwrl costs 142.798 real_cost = 343.400 FPSOLVER-SERVER_TS2 costs 142.798 real_cost = 345.104 FPSOLVER-SERVER_TS1-scwrl costs 128.243 real_cost = 325.894 FPSOLVER-SERVER_TS1 costs 128.243 real_cost = 325.834 FORTE2_AL5-scwrl costs 88.583 real_cost = 264.376 FORTE2_AL5 costs 88.607 real_cost = 369.392 FORTE2_AL4-scwrl costs 112.291 real_cost = 287.707 FORTE2_AL4 costs 112.290 real_cost = 426.537 FORTE2_AL3-scwrl costs 113.038 real_cost = 265.509 FORTE2_AL3 costs 112.985 real_cost = 391.778 FORTE2_AL2-scwrl costs 103.984 real_cost = 270.755 FORTE2_AL2 costs 103.984 real_cost = 413.128 FORTE2_AL1-scwrl costs 103.869 real_cost = 279.138 FORTE2_AL1 costs 103.869 real_cost = 424.236 FORTE1_AL5-scwrl costs 78.032 real_cost = 35.168 FORTE1_AL5 costs 78.024 real_cost = 167.355 FORTE1_AL4-scwrl costs 111.472 real_cost = 288.587 FORTE1_AL4 costs 111.500 real_cost = 426.521 FORTE1_AL3-scwrl costs 103.894 real_cost = 271.762 FORTE1_AL3 costs 103.894 real_cost = 414.442 FORTE1_AL2-scwrl costs 104.164 real_cost = 282.487 FORTE1_AL2 costs 104.164 real_cost = 428.293 FORTE1_AL1-scwrl costs 118.356 real_cost = 281.983 FORTE1_AL1 costs 118.334 real_cost = 403.045 FOLDpro_TS5-scwrl costs 50.740 real_cost = -300.450 FOLDpro_TS5 costs 50.740 real_cost = -307.148 FOLDpro_TS4-scwrl costs 61.375 real_cost = -101.323 FOLDpro_TS4 costs 61.375 real_cost = -99.411 FOLDpro_TS3-scwrl costs 50.200 real_cost = -292.525 FOLDpro_TS3 costs 50.200 real_cost = -302.652 FOLDpro_TS2-scwrl costs 48.546 real_cost = -320.599 FOLDpro_TS2 costs 48.546 real_cost = -337.527 FOLDpro_TS1-scwrl costs 49.808 real_cost = -302.761 FOLDpro_TS1 costs 49.808 real_cost = -317.014 FAMS_TS5-scwrl costs 58.601 real_cost = -295.706 FAMS_TS5 costs 58.601 real_cost = -310.362 FAMS_TS4-scwrl costs 56.073 real_cost = -276.589 FAMS_TS4 costs 56.073 real_cost = -295.185 FAMS_TS3-scwrl costs 59.252 real_cost = -300.939 FAMS_TS3 costs 59.252 real_cost = -330.909 FAMS_TS2-scwrl costs 58.432 real_cost = -290.516 FAMS_TS2 costs 58.432 real_cost = -308.599 FAMS_TS1-scwrl costs 56.770 real_cost = -290.113 FAMS_TS1 costs 56.770 real_cost = -306.128 FAMSD_TS5-scwrl costs 54.551 real_cost = -296.948 FAMSD_TS5 costs 54.537 real_cost = -325.427 FAMSD_TS4-scwrl costs 54.309 real_cost = -295.632 FAMSD_TS4 costs 54.309 real_cost = -309.598 FAMSD_TS3-scwrl costs 54.990 real_cost = -291.396 FAMSD_TS3 costs 54.957 real_cost = -295.712 FAMSD_TS2-scwrl costs 54.647 real_cost = -305.402 FAMSD_TS2 costs 54.647 real_cost = -326.182 FAMSD_TS1-scwrl costs 53.308 real_cost = -312.754 FAMSD_TS1 costs 53.308 real_cost = -330.222 Distill_TS5-scwrl costs 228.190 real_cost = 256.151 Distill_TS4-scwrl costs 228.328 real_cost = 256.244 Distill_TS3-scwrl costs 228.546 real_cost = 258.771 Distill_TS2-scwrl costs 226.172 real_cost = 257.483 Distill_TS1-scwrl costs 229.570 real_cost = 255.467 CaspIta-FOX_TS5-scwrl costs 83.023 real_cost = 199.196 CaspIta-FOX_TS5 costs 83.084 real_cost = 192.546 CaspIta-FOX_TS4-scwrl costs 82.796 real_cost = 181.713 CaspIta-FOX_TS4 costs 82.783 real_cost = 179.560 CaspIta-FOX_TS3-scwrl costs 71.333 real_cost = 135.260 CaspIta-FOX_TS3 costs 71.425 real_cost = 133.591 CaspIta-FOX_TS2-scwrl costs 61.953 real_cost = -104.471 CaspIta-FOX_TS2 costs 61.964 real_cost = -118.668 CaspIta-FOX_TS1-scwrl costs 52.819 real_cost = -326.000 CaspIta-FOX_TS1 costs 52.821 real_cost = -330.808 CPHmodels_TS1-scwrl costs 55.936 real_cost = -297.891 CPHmodels_TS1 costs 55.941 real_cost = -327.354 CIRCLE_TS5-scwrl costs 59.252 real_cost = -300.939 CIRCLE_TS5 costs 59.252 real_cost = -330.909 CIRCLE_TS4-scwrl costs 56.453 real_cost = -296.465 CIRCLE_TS4 costs 56.453 real_cost = -303.069 CIRCLE_TS3-scwrl costs 56.355 real_cost = -296.080 CIRCLE_TS3 costs 56.355 real_cost = -319.162 CIRCLE_TS2-scwrl costs 58.601 real_cost = -295.706 CIRCLE_TS2 costs 58.601 real_cost = -310.362 CIRCLE_TS1-scwrl costs 56.315 real_cost = -283.938 CIRCLE_TS1 costs 56.315 real_cost = -294.835 Bilab-ENABLE_TS5-scwrl costs 98.428 real_cost = 238.429 Bilab-ENABLE_TS5 costs 98.428 real_cost = 238.427 Bilab-ENABLE_TS4-scwrl costs 85.334 real_cost = 205.433 Bilab-ENABLE_TS4 costs 85.334 real_cost = 205.438 Bilab-ENABLE_TS3-scwrl costs 49.437 real_cost = -287.637 Bilab-ENABLE_TS3 costs 49.437 real_cost = -287.637 Bilab-ENABLE_TS2-scwrl costs 48.557 real_cost = -319.649 Bilab-ENABLE_TS2 costs 48.557 real_cost = -319.649 Bilab-ENABLE_TS1-scwrl costs 48.339 real_cost = -314.482 Bilab-ENABLE_TS1 costs 48.339 real_cost = -314.453 BayesHH_TS1-scwrl costs 49.066 real_cost = -314.157 BayesHH_TS1 costs 49.066 real_cost = -330.482 ABIpro_TS5-scwrl costs 87.076 real_cost = 264.556 ABIpro_TS5 costs 87.076 real_cost = 266.418 ABIpro_TS4-scwrl costs 88.976 real_cost = 265.674 ABIpro_TS4 costs 88.976 real_cost = 265.674 ABIpro_TS3-scwrl costs 98.646 real_cost = 243.575 ABIpro_TS3 costs 98.646 real_cost = 242.315 ABIpro_TS2-scwrl costs 66.927 real_cost = 263.090 ABIpro_TS2 costs 66.927 real_cost = 263.103 ABIpro_TS1-scwrl costs 76.720 real_cost = 296.419 ABIpro_TS1 costs 76.720 real_cost = 296.411 3Dpro_TS5-scwrl costs 50.740 real_cost = -300.450 3Dpro_TS5 costs 50.740 real_cost = -307.148 3Dpro_TS4-scwrl costs 58.692 real_cost = -96.174 3Dpro_TS4 costs 58.692 real_cost = -101.899 3Dpro_TS3-scwrl costs 50.200 real_cost = -292.525 3Dpro_TS3 costs 50.200 real_cost = -302.652 3Dpro_TS2-scwrl costs 48.546 real_cost = -320.599 3Dpro_TS2 costs 48.546 real_cost = -337.527 3Dpro_TS1-scwrl costs 49.808 real_cost = -302.761 3Dpro_TS1 costs 49.808 real_cost = -317.014 3D-JIGSAW_TS1-scwrl costs 49.912 real_cost = -216.892 3D-JIGSAW_TS1 costs 49.906 real_cost = -223.318 3D-JIGSAW_RECOM_TS1-scwrl costs 49.912 real_cost = -216.892 3D-JIGSAW_RECOM_TS1 costs 49.906 real_cost = -223.318 3D-JIGSAW_POPULUS_TS5-scwrl costs 49.912 real_cost = -216.892 3D-JIGSAW_POPULUS_TS5 costs 49.906 real_cost = -223.318 3D-JIGSAW_POPULUS_TS4-scwrl costs 49.912 real_cost = -216.892 3D-JIGSAW_POPULUS_TS4 costs 49.906 real_cost = -223.318 3D-JIGSAW_POPULUS_TS3-scwrl costs 49.912 real_cost = -216.892 3D-JIGSAW_POPULUS_TS3 costs 49.906 real_cost = -223.318 3D-JIGSAW_POPULUS_TS2-scwrl costs 49.912 real_cost = -216.892 3D-JIGSAW_POPULUS_TS2 costs 49.906 real_cost = -223.318 3D-JIGSAW_POPULUS_TS1-scwrl costs 49.912 real_cost = -216.892 3D-JIGSAW_POPULUS_TS1 costs 49.906 real_cost = -223.318 T0345.try3-opt2.repack-nonPC.pdb.gz costs 58.343 real_cost = -314.084 T0345.try3-opt2.pdb.gz costs 58.343 real_cost = -304.829 T0345.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 49.326 real_cost = -311.110 T0345.try3-opt2.gromacs0.pdb.gz costs 49.326 real_cost = -307.317 T0345.try3-opt1.pdb.gz costs 56.592 real_cost = -310.297 T0345.try3-opt1-scwrl.pdb.gz costs 56.592 real_cost = -298.848 T0345.try2-opt2.repack-nonPC.pdb.gz costs 59.726 real_cost = -306.665 T0345.try2-opt2.pdb.gz costs 59.726 real_cost = -305.244 T0345.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 47.942 real_cost = -312.257 T0345.try2-opt2.gromacs0.pdb.gz costs 47.942 real_cost = -304.644 T0345.try2-opt1.pdb.gz costs 60.221 real_cost = -308.166 T0345.try2-opt1-scwrl.pdb.gz costs 60.221 real_cost = -311.742 T0345.try1-opt2.repack-nonPC.pdb.gz costs 62.781 real_cost = -307.450 T0345.try1-opt2.pdb.gz costs 62.781 real_cost = -305.181 T0345.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 48.970 real_cost = -310.099 T0345.try1-opt2.gromacs0.pdb.gz costs 48.970 real_cost = -304.236 T0345.try1-opt1.pdb.gz costs 54.758 real_cost = -305.820 T0345.try1-opt1-scwrl.pdb.gz costs 54.758 real_cost = -307.108 ../model5.ts-submitted costs 57.955 real_cost = -273.536 ../model4.ts-submitted costs 62.524 real_cost = -304.763 ../model3.ts-submitted costs 58.301 real_cost = -305.255 ../model2.ts-submitted costs 58.343 real_cost = -304.826 ../model1.ts-submitted costs 49.326 real_cost = -311.087 align5 costs 78.353 real_cost = 114.924 align4 costs 82.187 real_cost = 147.325 align3 costs 88.358 real_cost = 204.365 align2 costs 72.990 real_cost = -223.850 align1 costs 59.182 real_cost = -262.490 T0345.try1-opt2.pdb costs 62.781 real_cost = -305.084 model5-scwrl costs 57.953 real_cost = -233.698 model5.ts-submitted costs 57.955 real_cost = -273.536 model4-scwrl costs 62.524 real_cost = -308.386 model4.ts-submitted costs 62.524 real_cost = -304.763 model3-scwrl costs 58.301 real_cost = -309.333 model3.ts-submitted costs 58.301 real_cost = -305.255 model2-scwrl costs 58.343 real_cost = -298.737 model2.ts-submitted costs 58.343 real_cost = -304.826 model1-scwrl costs 49.326 real_cost = -295.748 model1.ts-submitted costs 49.326 real_cost = -311.087 2he3A costs 46.857 real_cost = -893.400 # command:CPU_time= 904.678 sec, elapsed time= 1316.268 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/T0345'