make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0345' 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.predburial.rdb sed -e s/XXX0000/T0345/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -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 1174105289 # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading monomeric-50pc.atoms # After reading monomeric-50pc.atoms have 448 chains in training database # Count of chains,residues,atoms: 448,112605,876684 # 109826 residues have no bad marker # 665 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 143 # BAD_PEPTIDE 1959 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-1332.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:CPU_time= 6.18106 sec, elapsed time= 14.5099 sec) # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.9 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 3 alphabets from alpha.alphabet # command:CPU_time= 6.26305 sec, elapsed time= 14.7887 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:# 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 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file predburial.costfcn # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-near-backbone-2spot.hist # created burial cost function nb11 with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 5 alphabets from two-spot-burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_nb11_2k # created predicted BurialPredCostFcn pred_nb11_2k_simple # created predicted BurialPredCostFcn pred_nb11_04 # created predicted BurialPredCostFcn pred_nb11_04_simple # created predicted BurialPredCostFcn pred_nb11_06 # created predicted BurialPredCostFcn pred_nb11_06_simple # reading predictions from T0345.t2k.alpha.rdb # created predicted alpha cost function pred_alpha2k with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # reading predictions from T0345.t04.alpha.rdb # created predicted alpha cost function pred_alpha04 with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # reading predictions from T0345.t06.alpha.rdb # created predicted alpha cost function pred_alpha06 with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-monomeric-50pc-CB14.hist # created burial cost function cb14 with radius 14 with spots at CB counting only CB # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 28 alphabets from burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_cb14_2k # created predicted BurialPredCostFcn pred_cb14_2k_simple # created predicted BurialPredCostFcn pred_cb14_04 # created predicted BurialPredCostFcn pred_cb14_04_simple # created predicted BurialPredCostFcn pred_cb14_06 # created predicted BurialPredCostFcn pred_cb14_06_simple Unrecognized cost function c_beta for SetCost Unrecognized cost function 5 for SetCost # SetCost created cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 20 * dry6.5(6.5) + 15 * dry8(8) + 5 * dry12(12) + 5 * nb11(9.65) + 5 * pred_nb11_2k_simple(9.65) + 5 * pred_nb11_2k(9.65) + 5 * pred_nb11_04_simple(9.65) + 5 * pred_nb11_04(9.65) + 5 * pred_nb11_06_simple(9.65) + 5 * pred_nb11_06(9.65) + 5 * cb14(14) + 5 * pred_cb14_2k_simple(14) + 5 * pred_cb14_2k(14) + 5 * pred_cb14_04_simple(14) + 5 * pred_cb14_04(14) + 5 * pred_cb14_06_simple(14) + 5 * pred_cb14_06(14) + 2 * phobic_fit + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * pred_alpha06 + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms ) # command:CPU_time= 11.4613 sec, elapsed time= 25.4345 sec) # command:# Prefix for input files set to # command:# ReadConformPDB reading from PDB file model1.ts-submitted looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -93.6486 # GDT_score(maxd=8,maxw=2.9)= -96.4734 # GDT_score(maxd=8,maxw=3.2)= -94.8112 # GDT_score(maxd=8,maxw=3.5)= -92.5132 # GDT_score(maxd=10,maxw=3.8)= -93.3186 # GDT_score(maxd=10,maxw=4)= -91.5828 # GDT_score(maxd=10,maxw=4.2)= -89.6356 # GDT_score(maxd=12,maxw=4.3)= -91.7728 # GDT_score(maxd=12,maxw=4.5)= -89.8862 # GDT_score(maxd=12,maxw=4.7)= -87.8459 # GDT_score(maxd=14,maxw=5.2)= -85.5305 # GDT_score(maxd=14,maxw=5.5)= -82.3455 # command:# Prefix for output files set to # command:EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 17.059 26.990 56.338 1.00 0.00 ATOM 2 CA MET A 1 16.121 28.110 56.187 1.00 0.00 ATOM 3 CB MET A 1 16.598 29.051 55.076 1.00 0.00 ATOM 4 CG MET A 1 17.971 29.641 55.397 1.00 0.00 ATOM 5 SD MET A 1 18.080 30.578 56.954 1.00 0.00 ATOM 6 CE MET A 1 16.996 31.870 56.462 1.00 0.00 ATOM 7 O MET A 1 14.896 26.435 55.114 1.00 0.00 ATOM 8 C MET A 1 14.803 27.463 55.787 1.00 0.00 ATOM 9 N ILE A 2 13.689 27.976 56.282 1.00 0.00 ATOM 10 CA ILE A 2 12.373 27.372 55.950 1.00 0.00 ATOM 11 CB ILE A 2 11.224 28.078 56.694 1.00 0.00 ATOM 12 CG1 ILE A 2 11.321 27.814 58.199 1.00 0.00 ATOM 13 CG2 ILE A 2 9.879 27.617 56.155 1.00 0.00 ATOM 14 CD1 ILE A 2 10.402 28.678 59.031 1.00 0.00 ATOM 15 O ILE A 2 11.654 26.486 53.813 1.00 0.00 ATOM 16 C ILE A 2 12.103 27.427 54.441 1.00 0.00 ATOM 17 N ALA A 3 12.378 28.602 53.902 1.00 0.00 ATOM 18 CA ALA A 3 12.135 28.878 52.490 1.00 0.00 ATOM 19 CB ALA A 3 11.593 30.299 52.370 1.00 0.00 ATOM 20 O ALA A 3 14.497 29.186 52.054 1.00 0.00 ATOM 21 C ALA A 3 13.423 28.694 51.692 1.00 0.00 ATOM 22 N LYS A 4 13.303 27.742 50.808 1.00 0.00 ATOM 23 CA LYS A 4 14.328 27.536 49.791 1.00 0.00 ATOM 24 CB LYS A 4 14.857 26.102 49.846 1.00 0.00 ATOM 25 CG LYS A 4 15.461 25.706 51.186 1.00 0.00 ATOM 26 CD LYS A 4 16.734 26.489 51.474 1.00 0.00 ATOM 27 CE LYS A 4 17.408 26.006 52.748 1.00 0.00 ATOM 28 NZ LYS A 4 18.602 26.823 53.092 1.00 0.00 ATOM 29 O LYS A 4 12.496 27.856 48.264 1.00 0.00 ATOM 30 C LYS A 4 13.717 27.863 48.422 1.00 0.00 ATOM 31 N SER A 5 14.584 28.193 47.475 1.00 0.00 ATOM 32 CA SER A 5 14.112 28.642 46.158 1.00 0.00 ATOM 33 CB SER A 5 15.073 29.665 45.576 1.00 0.00 ATOM 34 OG SER A 5 15.115 30.835 46.399 1.00 0.00 ATOM 35 O SER A 5 14.626 26.489 45.195 1.00 0.00 ATOM 36 C SER A 5 13.902 27.481 45.191 1.00 0.00 ATOM 37 N PHE A 6 12.866 27.614 44.366 1.00 0.00 ATOM 38 CA PHE A 6 12.571 26.608 43.324 1.00 0.00 ATOM 39 CB PHE A 6 11.313 27.017 42.544 1.00 0.00 ATOM 40 CG PHE A 6 11.083 26.161 41.295 1.00 0.00 ATOM 41 CD1 PHE A 6 10.771 24.812 41.417 1.00 0.00 ATOM 42 CD2 PHE A 6 11.204 26.733 40.034 1.00 0.00 ATOM 43 CE1 PHE A 6 10.545 24.049 40.287 1.00 0.00 ATOM 44 CE2 PHE A 6 10.980 25.970 38.904 1.00 0.00 ATOM 45 CZ PHE A 6 10.643 24.637 39.031 1.00 0.00 ATOM 46 O PHE A 6 14.107 25.268 42.047 1.00 0.00 ATOM 47 C PHE A 6 13.748 26.401 42.360 1.00 0.00 ATOM 48 N TYR A 7 14.358 27.510 41.981 1.00 0.00 ATOM 49 CA TYR A 7 15.536 27.471 41.093 1.00 0.00 ATOM 50 CB TYR A 7 15.974 28.846 40.584 1.00 0.00 ATOM 51 CG TYR A 7 16.611 29.718 41.658 1.00 0.00 ATOM 52 CD1 TYR A 7 17.951 29.616 42.014 1.00 0.00 ATOM 53 CD2 TYR A 7 15.806 30.648 42.274 1.00 0.00 ATOM 54 CE1 TYR A 7 18.491 30.444 42.999 1.00 0.00 ATOM 55 CE2 TYR A 7 16.346 31.438 43.261 1.00 0.00 ATOM 56 CZ TYR A 7 17.686 31.362 43.637 1.00 0.00 ATOM 57 OH TYR A 7 18.157 32.202 44.598 1.00 0.00 ATOM 58 O TYR A 7 17.566 26.282 40.991 1.00 0.00 ATOM 59 C TYR A 7 16.721 26.737 41.736 1.00 0.00 ATOM 60 N ASP A 8 16.765 26.652 43.064 1.00 0.00 ATOM 61 CA ASP A 8 17.818 25.932 43.817 1.00 0.00 ATOM 62 CB ASP A 8 17.670 26.182 45.320 1.00 0.00 ATOM 63 CG ASP A 8 18.069 27.582 45.767 1.00 0.00 ATOM 64 OD1 ASP A 8 18.659 28.289 44.984 1.00 0.00 ATOM 65 OD2 ASP A 8 17.646 27.991 46.821 1.00 0.00 ATOM 66 O ASP A 8 18.780 23.717 43.978 1.00 0.00 ATOM 67 C ASP A 8 17.844 24.419 43.584 1.00 0.00 ATOM 68 N LEU A 9 16.806 23.944 42.915 1.00 0.00 ATOM 69 CA LEU A 9 16.492 22.525 42.828 1.00 0.00 ATOM 70 CB LEU A 9 15.075 22.401 43.359 1.00 0.00 ATOM 71 CG LEU A 9 14.938 22.831 44.825 1.00 0.00 ATOM 72 CD1 LEU A 9 13.488 23.067 45.236 1.00 0.00 ATOM 73 CD2 LEU A 9 15.558 21.776 45.751 1.00 0.00 ATOM 74 O LEU A 9 16.423 22.661 40.405 1.00 0.00 ATOM 75 C LEU A 9 16.595 21.980 41.414 1.00 0.00 ATOM 76 N SER A 10 16.871 20.692 41.376 1.00 0.00 ATOM 77 CA SER A 10 16.964 19.930 40.122 1.00 0.00 ATOM 78 CB SER A 10 18.431 19.730 39.695 1.00 0.00 ATOM 79 OG SER A 10 19.109 18.956 40.681 1.00 0.00 ATOM 80 O SER A 10 16.102 18.088 41.401 1.00 0.00 ATOM 81 C SER A 10 16.312 18.562 40.297 1.00 0.00 ATOM 82 N ALA A 11 15.841 18.039 39.179 1.00 0.00 ATOM 83 CA ALA A 11 15.355 16.661 39.137 1.00 0.00 ATOM 84 CB ALA A 11 13.842 16.645 39.230 1.00 0.00 ATOM 85 O ALA A 11 16.591 16.690 37.093 1.00 0.00 ATOM 86 C ALA A 11 15.865 16.026 37.851 1.00 0.00 ATOM 87 N ILE A 12 15.714 14.724 37.728 1.00 0.00 ATOM 88 CA ILE A 12 16.097 14.138 36.439 1.00 0.00 ATOM 89 CB ILE A 12 17.416 13.348 36.478 1.00 0.00 ATOM 90 CG1 ILE A 12 17.627 12.433 37.701 1.00 0.00 ATOM 91 CG2 ILE A 12 18.526 14.398 36.439 1.00 0.00 ATOM 92 CD1 ILE A 12 19.015 11.797 37.816 1.00 0.00 ATOM 93 O ILE A 12 13.912 13.289 36.257 1.00 0.00 ATOM 94 C ILE A 12 14.910 13.631 35.643 1.00 0.00 ATOM 95 N ASN A 13 14.860 13.984 34.369 1.00 0.00 ATOM 96 CA ASN A 13 13.666 13.707 33.529 1.00 0.00 ATOM 97 CB ASN A 13 13.634 14.665 32.348 1.00 0.00 ATOM 98 CG ASN A 13 14.750 14.364 31.349 1.00 0.00 ATOM 99 ND2 ASN A 13 14.899 15.272 30.463 1.00 0.00 ATOM 100 OD1 ASN A 13 15.549 13.436 31.431 1.00 0.00 ATOM 101 O ASN A 13 14.473 11.446 33.386 1.00 0.00 ATOM 102 C ASN A 13 13.605 12.247 33.046 1.00 0.00 ATOM 103 N LEU A 14 12.704 11.975 32.109 1.00 0.00 ATOM 104 CA LEU A 14 12.566 10.641 31.520 1.00 0.00 ATOM 105 CB LEU A 14 11.350 10.611 30.617 1.00 0.00 ATOM 106 CG LEU A 14 10.059 10.839 31.384 1.00 0.00 ATOM 107 CD1 LEU A 14 8.922 10.827 30.380 1.00 0.00 ATOM 108 CD2 LEU A 14 9.868 9.815 32.511 1.00 0.00 ATOM 109 O LEU A 14 13.921 8.907 30.597 1.00 0.00 ATOM 110 C LEU A 14 13.776 10.111 30.737 1.00 0.00 ATOM 111 N ASP A 15 14.659 11.006 30.348 1.00 0.00 ATOM 112 CA ASP A 15 15.920 10.631 29.681 1.00 0.00 ATOM 113 CB ASP A 15 16.259 11.633 28.572 1.00 0.00 ATOM 114 CG ASP A 15 15.243 11.683 27.438 1.00 0.00 ATOM 115 OD1 ASP A 15 14.868 10.640 26.957 1.00 0.00 ATOM 116 OD2 ASP A 15 14.736 12.744 27.168 1.00 0.00 ATOM 117 O ASP A 15 18.246 10.307 30.299 1.00 0.00 ATOM 118 C ASP A 15 17.096 10.541 30.677 1.00 0.00 ATOM 119 N GLY A 16 16.791 10.693 31.974 1.00 0.00 ATOM 120 CA GLY A 16 17.788 10.721 33.062 1.00 0.00 ATOM 121 O GLY A 16 19.739 11.955 33.671 1.00 0.00 ATOM 122 C GLY A 16 18.706 11.942 33.003 1.00 0.00 ATOM 123 N GLU A 17 18.239 12.999 32.339 1.00 0.00 ATOM 124 CA GLU A 17 18.987 14.264 32.248 1.00 0.00 ATOM 125 CB GLU A 17 18.787 14.908 30.873 1.00 0.00 ATOM 126 CG GLU A 17 19.318 14.082 29.710 1.00 0.00 ATOM 127 CD GLU A 17 19.108 14.786 28.400 1.00 0.00 ATOM 128 OE1 GLU A 17 18.527 15.846 28.401 1.00 0.00 ATOM 129 OE2 GLU A 17 19.627 14.326 27.410 1.00 0.00 ATOM 130 O GLU A 17 17.403 15.336 33.715 1.00 0.00 ATOM 131 C GLU A 17 18.576 15.247 33.340 1.00 0.00 ATOM 132 N LYS A 18 19.574 15.991 33.792 1.00 0.00 ATOM 133 CA LYS A 18 19.423 17.065 34.790 1.00 0.00 ATOM 134 CB LYS A 18 20.780 17.693 35.112 1.00 0.00 ATOM 135 CG LYS A 18 20.737 18.764 36.195 1.00 0.00 ATOM 136 CD LYS A 18 22.131 19.278 36.519 1.00 0.00 ATOM 137 CE LYS A 18 22.084 20.378 37.569 1.00 0.00 ATOM 138 NZ LYS A 18 23.445 20.861 37.930 1.00 0.00 ATOM 139 O LYS A 18 18.697 18.783 33.258 1.00 0.00 ATOM 140 C LYS A 18 18.443 18.120 34.268 1.00 0.00 ATOM 141 N VAL A 19 17.447 18.361 35.093 1.00 0.00 ATOM 142 CA VAL A 19 16.499 19.466 34.904 1.00 0.00 ATOM 143 CB VAL A 19 15.037 19.002 34.830 1.00 0.00 ATOM 144 CG1 VAL A 19 14.100 20.181 34.585 1.00 0.00 ATOM 145 CG2 VAL A 19 14.827 17.962 33.725 1.00 0.00 ATOM 146 O VAL A 19 16.228 20.048 37.203 1.00 0.00 ATOM 147 C VAL A 19 16.703 20.361 36.115 1.00 0.00 ATOM 148 N ASP A 20 17.676 21.251 35.965 1.00 0.00 ATOM 149 CA ASP A 20 17.860 22.341 36.925 1.00 0.00 ATOM 150 CB ASP A 20 19.204 23.037 36.696 1.00 0.00 ATOM 151 CG ASP A 20 19.529 24.129 37.706 1.00 0.00 ATOM 152 OD1 ASP A 20 18.681 24.436 38.511 1.00 0.00 ATOM 153 OD2 ASP A 20 20.665 24.534 37.768 1.00 0.00 ATOM 154 O ASP A 20 16.435 23.759 35.620 1.00 0.00 ATOM 155 C ASP A 20 16.663 23.255 36.714 1.00 0.00 ATOM 156 N PHE A 21 15.819 23.294 37.725 1.00 0.00 ATOM 157 CA PHE A 21 14.646 24.177 37.646 1.00 0.00 ATOM 158 CB PHE A 21 13.682 23.889 38.798 1.00 0.00 ATOM 159 CG PHE A 21 13.132 22.490 38.793 1.00 0.00 ATOM 160 CD1 PHE A 21 13.368 21.633 39.857 1.00 0.00 ATOM 161 CD2 PHE A 21 12.380 22.028 37.724 1.00 0.00 ATOM 162 CE1 PHE A 21 12.864 20.346 39.854 1.00 0.00 ATOM 163 CE2 PHE A 21 11.873 20.743 37.718 1.00 0.00 ATOM 164 CZ PHE A 21 12.116 19.902 38.784 1.00 0.00 ATOM 165 O PHE A 21 14.137 26.509 37.306 1.00 0.00 ATOM 166 C PHE A 21 14.985 25.678 37.658 1.00 0.00 ATOM 167 N ASN A 22 16.287 26.005 37.695 1.00 0.00 ATOM 168 CA ASN A 22 16.791 27.365 37.472 1.00 0.00 ATOM 169 CB ASN A 22 18.251 27.487 37.862 1.00 0.00 ATOM 170 CG ASN A 22 18.765 28.900 37.855 1.00 0.00 ATOM 171 ND2 ASN A 22 19.664 29.170 36.942 1.00 0.00 ATOM 172 OD1 ASN A 22 18.300 29.755 38.617 1.00 0.00 ATOM 173 O ASN A 22 16.349 29.030 35.762 1.00 0.00 ATOM 174 C ASN A 22 16.612 27.843 36.014 1.00 0.00 ATOM 175 N THR A 23 16.619 26.892 35.086 1.00 0.00 ATOM 176 CA THR A 23 16.372 27.150 33.650 1.00 0.00 ATOM 177 CB THR A 23 16.538 25.870 32.809 1.00 0.00 ATOM 178 CG2 THR A 23 17.949 25.322 32.944 1.00 0.00 ATOM 179 OG1 THR A 23 15.600 24.881 33.251 1.00 0.00 ATOM 180 O THR A 23 14.710 28.260 32.269 1.00 0.00 ATOM 181 C THR A 23 14.966 27.728 33.355 1.00 0.00 ATOM 182 N PHE A 24 14.094 27.666 34.357 1.00 0.00 ATOM 183 CA PHE A 24 12.688 28.105 34.275 1.00 0.00 ATOM 184 CB PHE A 24 11.771 27.091 34.959 1.00 0.00 ATOM 185 CG PHE A 24 11.741 25.748 34.284 1.00 0.00 ATOM 186 CD1 PHE A 24 12.262 24.628 34.913 1.00 0.00 ATOM 187 CD2 PHE A 24 11.193 25.605 33.018 1.00 0.00 ATOM 188 CE1 PHE A 24 12.234 23.393 34.293 1.00 0.00 ATOM 189 CE2 PHE A 24 11.165 24.372 32.396 1.00 0.00 ATOM 190 CZ PHE A 24 11.685 23.265 33.035 1.00 0.00 ATOM 191 O PHE A 24 11.244 29.877 35.047 1.00 0.00 ATOM 192 C PHE A 24 12.409 29.486 34.881 1.00 0.00 ATOM 193 N ARG A 25 13.446 30.307 34.996 1.00 0.00 ATOM 194 CA ARG A 25 13.272 31.690 35.498 1.00 0.00 ATOM 195 CB ARG A 25 14.602 32.371 35.780 1.00 0.00 ATOM 196 CG ARG A 25 14.494 33.755 36.401 1.00 0.00 ATOM 197 CD ARG A 25 15.800 34.394 36.701 1.00 0.00 ATOM 198 NE ARG A 25 15.700 35.712 37.309 1.00 0.00 ATOM 199 CZ ARG A 25 16.753 36.477 37.657 1.00 0.00 ATOM 200 NH1 ARG A 25 17.984 36.047 37.495 1.00 0.00 ATOM 201 NH2 ARG A 25 16.515 37.663 38.188 1.00 0.00 ATOM 202 O ARG A 25 12.443 32.294 33.323 1.00 0.00 ATOM 203 C ARG A 25 12.410 32.513 34.540 1.00 0.00 ATOM 204 N GLY A 26 11.430 33.169 35.121 1.00 0.00 ATOM 205 CA GLY A 26 10.441 33.958 34.359 1.00 0.00 ATOM 206 O GLY A 26 8.155 33.804 33.696 1.00 0.00 ATOM 207 C GLY A 26 9.120 33.204 34.163 1.00 0.00 ATOM 208 N ARG A 27 9.124 31.893 34.359 1.00 0.00 ATOM 209 CA ARG A 27 7.946 31.047 34.084 1.00 0.00 ATOM 210 CB ARG A 27 8.301 29.818 33.260 1.00 0.00 ATOM 211 CG ARG A 27 8.297 30.036 31.754 1.00 0.00 ATOM 212 CD ARG A 27 9.553 30.617 31.217 1.00 0.00 ATOM 213 NE ARG A 27 10.686 29.704 31.210 1.00 0.00 ATOM 214 CZ ARG A 27 10.879 28.731 30.298 1.00 0.00 ATOM 215 NH1 ARG A 27 10.005 28.516 29.341 1.00 0.00 ATOM 216 NH2 ARG A 27 11.964 27.983 30.406 1.00 0.00 ATOM 217 O ARG A 27 7.808 30.365 36.401 1.00 0.00 ATOM 218 C ARG A 27 7.202 30.647 35.364 1.00 0.00 ATOM 219 N ALA A 28 5.887 30.719 35.287 1.00 0.00 ATOM 220 CA ALA A 28 5.034 30.233 36.384 1.00 0.00 ATOM 221 CB ALA A 28 3.635 30.793 36.239 1.00 0.00 ATOM 222 O ALA A 28 4.723 28.151 35.232 1.00 0.00 ATOM 223 C ALA A 28 4.959 28.717 36.292 1.00 0.00 ATOM 224 N VAL A 29 5.155 28.110 37.455 1.00 0.00 ATOM 225 CA VAL A 29 5.274 26.642 37.536 1.00 0.00 ATOM 226 CB VAL A 29 6.587 26.249 38.210 1.00 0.00 ATOM 227 CG1 VAL A 29 6.732 24.739 38.206 1.00 0.00 ATOM 228 CG2 VAL A 29 7.822 26.852 37.518 1.00 0.00 ATOM 229 O VAL A 29 3.796 26.467 39.437 1.00 0.00 ATOM 230 C VAL A 29 4.083 26.061 38.305 1.00 0.00 ATOM 231 N LEU A 30 3.513 25.030 37.697 1.00 0.00 ATOM 232 CA LEU A 30 2.493 24.198 38.362 1.00 0.00 ATOM 233 CB LEU A 30 1.186 24.224 37.560 1.00 0.00 ATOM 234 CG LEU A 30 -0.010 23.542 38.240 1.00 0.00 ATOM 235 CD1 LEU A 30 -0.341 24.250 39.547 1.00 0.00 ATOM 236 CD2 LEU A 30 -1.207 23.559 37.301 1.00 0.00 ATOM 237 O LEU A 30 3.437 22.157 37.513 1.00 0.00 ATOM 238 C LEU A 30 3.036 22.770 38.511 1.00 0.00 ATOM 239 N ILE A 31 3.463 22.521 39.751 1.00 0.00 ATOM 240 CA ILE A 31 4.055 21.221 40.137 1.00 0.00 ATOM 241 CB ILE A 31 5.228 21.403 41.118 1.00 0.00 ATOM 242 CG1 ILE A 31 6.417 22.060 40.412 1.00 0.00 ATOM 243 CG2 ILE A 31 5.634 20.064 41.716 1.00 0.00 ATOM 244 CD1 ILE A 31 7.517 22.502 41.349 1.00 0.00 ATOM 245 O ILE A 31 2.347 20.763 41.756 1.00 0.00 ATOM 246 C ILE A 31 2.957 20.350 40.767 1.00 0.00 ATOM 247 N GLU A 32 2.950 19.104 40.305 1.00 0.00 ATOM 248 CA GLU A 32 2.107 18.043 40.872 1.00 0.00 ATOM 249 CB GLU A 32 0.897 17.691 39.991 1.00 0.00 ATOM 250 CG GLU A 32 -0.168 18.793 39.935 1.00 0.00 ATOM 251 CD GLU A 32 0.089 19.874 38.882 1.00 0.00 ATOM 252 OE1 GLU A 32 1.040 19.760 38.070 1.00 0.00 ATOM 253 OE2 GLU A 32 -0.730 20.810 38.871 1.00 0.00 ATOM 254 O GLU A 32 3.726 16.364 40.255 1.00 0.00 ATOM 255 C GLU A 32 2.883 16.750 41.075 1.00 0.00 ATOM 256 N ASN A 33 2.651 16.087 42.206 1.00 0.00 ATOM 257 CA ASN A 33 3.053 14.668 42.309 1.00 0.00 ATOM 258 CB ASN A 33 2.960 14.167 43.739 1.00 0.00 ATOM 259 CG ASN A 33 4.092 14.625 44.614 1.00 0.00 ATOM 260 ND2 ASN A 33 5.283 14.568 44.076 1.00 0.00 ATOM 261 OD1 ASN A 33 3.882 15.095 45.739 1.00 0.00 ATOM 262 O ASN A 33 1.271 14.506 40.764 1.00 0.00 ATOM 263 C ASN A 33 2.139 13.882 41.337 1.00 0.00 ATOM 264 N VAL A 34 2.463 12.709 40.810 1.00 0.00 ATOM 265 CA VAL A 34 1.519 12.004 39.909 1.00 0.00 ATOM 266 CB VAL A 34 1.755 12.295 38.400 1.00 0.00 ATOM 267 CG1 VAL A 34 1.608 13.768 38.008 1.00 0.00 ATOM 268 CG2 VAL A 34 3.114 11.789 37.914 1.00 0.00 ATOM 269 O VAL A 34 2.391 9.928 40.744 1.00 0.00 ATOM 270 C VAL A 34 1.475 10.496 40.146 1.00 0.00 ATOM 271 N ALA A 35 0.367 9.904 39.698 1.00 0.00 ATOM 272 CA ALA A 35 0.301 8.440 39.555 1.00 0.00 ATOM 273 CB ALA A 35 -0.131 7.805 40.859 1.00 0.00 ATOM 274 O ALA A 35 -1.438 8.747 37.911 1.00 0.00 ATOM 275 C ALA A 35 -0.568 8.010 38.368 1.00 0.00 ATOM 276 N SER A 36 -0.398 6.755 37.986 1.00 0.00 ATOM 277 CA SER A 36 -0.996 6.217 36.748 1.00 0.00 ATOM 278 CB SER A 36 -0.006 5.316 36.038 1.00 0.00 ATOM 279 OG SER A 36 1.140 6.012 35.629 1.00 0.00 ATOM 280 O SER A 36 -3.099 5.260 36.046 1.00 0.00 ATOM 281 C SER A 36 -2.300 5.439 36.967 1.00 0.00 ATOM 282 N LEU A 37 -2.535 5.026 38.203 1.00 0.00 ATOM 283 CA LEU A 37 -3.735 4.244 38.571 1.00 0.00 ATOM 284 CB LEU A 37 -3.341 2.780 38.770 1.00 0.00 ATOM 285 CG LEU A 37 -2.808 2.093 37.505 1.00 0.00 ATOM 286 CD1 LEU A 37 -2.227 0.723 37.832 1.00 0.00 ATOM 287 CD2 LEU A 37 -3.891 1.999 36.429 1.00 0.00 ATOM 288 O LEU A 37 -4.915 4.102 40.676 1.00 0.00 ATOM 289 C LEU A 37 -4.446 4.811 39.800 1.00 0.00 ATOM 290 N CYS A 38 -4.708 6.104 39.731 1.00 0.00 ATOM 291 CA CYS A 38 -5.422 6.829 40.783 1.00 0.00 ATOM 292 CB CYS A 38 -4.593 8.030 41.213 1.00 0.00 ATOM 293 SG CYS A 38 -3.044 7.507 41.995 1.00 0.00 ATOM 294 O CYS A 38 -7.050 7.378 39.094 1.00 0.00 ATOM 295 C CYS A 38 -6.781 7.305 40.293 1.00 0.00 ATOM 296 N GLY A 39 -7.602 7.637 41.273 1.00 0.00 ATOM 297 CA GLY A 39 -8.999 8.083 41.072 1.00 0.00 ATOM 298 O GLY A 39 -10.018 9.559 39.476 1.00 0.00 ATOM 299 C GLY A 39 -9.074 9.367 40.245 1.00 0.00 ATOM 300 N THR A 40 -8.061 10.211 40.373 1.00 0.00 ATOM 301 CA THR A 40 -8.036 11.483 39.626 1.00 0.00 ATOM 302 CB THR A 40 -8.128 12.628 40.663 1.00 0.00 ATOM 303 CG2 THR A 40 -7.679 14.018 40.228 1.00 0.00 ATOM 304 OG1 THR A 40 -9.478 12.668 41.152 1.00 0.00 ATOM 305 O THR A 40 -6.823 12.530 37.840 1.00 0.00 ATOM 306 C THR A 40 -6.933 11.524 38.543 1.00 0.00 ATOM 307 N THR A 41 -6.408 10.363 38.149 1.00 0.00 ATOM 308 CA THR A 41 -5.395 10.265 37.068 1.00 0.00 ATOM 309 CB THR A 41 -4.944 8.811 36.847 1.00 0.00 ATOM 310 CG2 THR A 41 -4.077 8.705 35.602 1.00 0.00 ATOM 311 OG1 THR A 41 -4.197 8.360 37.985 1.00 0.00 ATOM 312 O THR A 41 -5.400 11.762 35.176 1.00 0.00 ATOM 313 C THR A 41 -5.946 10.830 35.753 1.00 0.00 ATOM 314 N THR A 42 -7.136 10.407 35.371 1.00 0.00 ATOM 315 CA THR A 42 -7.766 10.929 34.138 1.00 0.00 ATOM 316 CB THR A 42 -9.107 10.229 33.848 1.00 0.00 ATOM 317 CG2 THR A 42 -9.759 10.819 32.607 1.00 0.00 ATOM 318 OG1 THR A 42 -8.884 8.828 33.645 1.00 0.00 ATOM 319 O THR A 42 -7.646 13.182 33.309 1.00 0.00 ATOM 320 C THR A 42 -8.006 12.451 34.222 1.00 0.00 ATOM 321 N ARG A 43 -8.648 12.885 35.289 1.00 0.00 ATOM 322 CA ARG A 43 -8.983 14.309 35.485 1.00 0.00 ATOM 323 CB ARG A 43 -9.851 14.530 36.714 1.00 0.00 ATOM 324 CG ARG A 43 -11.278 14.021 36.588 1.00 0.00 ATOM 325 CD ARG A 43 -12.104 14.205 37.810 1.00 0.00 ATOM 326 NE ARG A 43 -13.456 13.678 37.709 1.00 0.00 ATOM 327 CZ ARG A 43 -14.357 13.688 38.711 1.00 0.00 ATOM 328 NH1 ARG A 43 -14.046 14.159 39.898 1.00 0.00 ATOM 329 NH2 ARG A 43 -15.557 13.187 38.475 1.00 0.00 ATOM 330 O ARG A 43 -7.614 16.162 34.769 1.00 0.00 ATOM 331 C ARG A 43 -7.740 15.213 35.533 1.00 0.00 ATOM 332 N ASP A 44 -6.768 14.844 36.352 1.00 0.00 ATOM 333 CA ASP A 44 -5.548 15.648 36.528 1.00 0.00 ATOM 334 CB ASP A 44 -4.764 15.123 37.727 1.00 0.00 ATOM 335 CG ASP A 44 -3.545 15.973 38.056 1.00 0.00 ATOM 336 OD1 ASP A 44 -3.759 17.181 38.341 1.00 0.00 ATOM 337 OD2 ASP A 44 -2.462 15.364 38.087 1.00 0.00 ATOM 338 O ASP A 44 -4.232 16.745 34.850 1.00 0.00 ATOM 339 C ASP A 44 -4.639 15.673 35.297 1.00 0.00 ATOM 340 N PHE A 45 -4.486 14.530 34.636 1.00 0.00 ATOM 341 CA PHE A 45 -3.672 14.461 33.402 1.00 0.00 ATOM 342 CB PHE A 45 -3.423 13.026 32.940 1.00 0.00 ATOM 343 CG PHE A 45 -2.207 12.449 33.676 1.00 0.00 ATOM 344 CD1 PHE A 45 -2.359 11.825 34.903 1.00 0.00 ATOM 345 CD2 PHE A 45 -0.930 12.639 33.180 1.00 0.00 ATOM 346 CE1 PHE A 45 -1.279 11.396 35.639 1.00 0.00 ATOM 347 CE2 PHE A 45 0.169 12.215 33.909 1.00 0.00 ATOM 348 CZ PHE A 45 -0.008 11.608 35.141 1.00 0.00 ATOM 349 O PHE A 45 -3.628 16.083 31.624 1.00 0.00 ATOM 350 C PHE A 45 -4.289 15.263 32.248 1.00 0.00 ATOM 351 N THR A 46 -5.600 15.099 32.083 1.00 0.00 ATOM 352 CA THR A 46 -6.347 15.834 31.035 1.00 0.00 ATOM 353 CB THR A 46 -7.810 15.365 30.949 1.00 0.00 ATOM 354 CG2 THR A 46 -8.569 16.170 29.905 1.00 0.00 ATOM 355 OG1 THR A 46 -7.849 13.975 30.594 1.00 0.00 ATOM 356 O THR A 46 -5.982 18.116 30.409 1.00 0.00 ATOM 357 C THR A 46 -6.316 17.345 31.298 1.00 0.00 ATOM 358 N GLN A 47 -6.560 17.724 32.556 1.00 0.00 ATOM 359 CA GLN A 47 -6.537 19.154 32.942 1.00 0.00 ATOM 360 CB GLN A 47 -7.052 19.330 34.374 1.00 0.00 ATOM 361 CG GLN A 47 -8.565 19.262 34.503 1.00 0.00 ATOM 362 CD GLN A 47 -9.014 19.037 35.934 1.00 0.00 ATOM 363 OE1 GLN A 47 -8.191 18.841 36.834 1.00 0.00 ATOM 364 NE2 GLN A 47 -10.324 19.059 36.154 1.00 0.00 ATOM 365 O GLN A 47 -5.017 20.922 32.355 1.00 0.00 ATOM 366 C GLN A 47 -5.147 19.796 32.848 1.00 0.00 ATOM 367 N LEU A 48 -4.123 19.037 33.222 1.00 0.00 ATOM 368 CA LEU A 48 -2.717 19.494 33.110 1.00 0.00 ATOM 369 CB LEU A 48 -1.772 18.457 33.730 1.00 0.00 ATOM 370 CG LEU A 48 -1.856 18.327 35.257 1.00 0.00 ATOM 371 CD1 LEU A 48 -1.011 17.150 35.727 1.00 0.00 ATOM 372 CD2 LEU A 48 -1.386 19.621 35.904 1.00 0.00 ATOM 373 O LEU A 48 -1.783 20.825 31.308 1.00 0.00 ATOM 374 C LEU A 48 -2.311 19.766 31.652 1.00 0.00 ATOM 375 N ASN A 49 -2.785 18.866 30.784 1.00 0.00 ATOM 376 CA ASN A 49 -2.516 18.899 29.334 1.00 0.00 ATOM 377 CB ASN A 49 -2.991 17.629 28.652 1.00 0.00 ATOM 378 CG ASN A 49 -2.620 17.547 27.198 1.00 0.00 ATOM 379 ND2 ASN A 49 -3.622 17.596 26.355 1.00 0.00 ATOM 380 OD1 ASN A 49 -1.437 17.515 26.838 1.00 0.00 ATOM 381 O ASN A 49 -2.488 20.797 27.855 1.00 0.00 ATOM 382 C ASN A 49 -3.154 20.124 28.647 1.00 0.00 ATOM 383 N GLU A 50 -4.387 20.440 29.017 1.00 0.00 ATOM 384 CA GLU A 50 -5.079 21.627 28.480 1.00 0.00 ATOM 385 CB GLU A 50 -6.539 21.650 28.940 1.00 0.00 ATOM 386 CG GLU A 50 -7.415 20.581 28.305 1.00 0.00 ATOM 387 CD GLU A 50 -8.800 20.592 28.890 1.00 0.00 ATOM 388 OE1 GLU A 50 -9.036 21.351 29.799 1.00 0.00 ATOM 389 OE2 GLU A 50 -9.655 19.923 28.357 1.00 0.00 ATOM 390 O GLU A 50 -4.098 23.766 28.026 1.00 0.00 ATOM 391 C GLU A 50 -4.389 22.935 28.890 1.00 0.00 ATOM 392 N LEU A 51 -3.890 22.962 30.130 1.00 0.00 ATOM 393 CA LEU A 51 -3.121 24.115 30.655 1.00 0.00 ATOM 394 CB LEU A 51 -2.872 23.963 32.152 1.00 0.00 ATOM 395 CG LEU A 51 -4.131 24.118 33.004 1.00 0.00 ATOM 396 CD1 LEU A 51 -3.766 23.809 34.446 1.00 0.00 ATOM 397 CD2 LEU A 51 -4.690 25.535 32.951 1.00 0.00 ATOM 398 O LEU A 51 -1.513 25.413 29.449 1.00 0.00 ATOM 399 C LEU A 51 -1.794 24.325 29.925 1.00 0.00 ATOM 400 N GLN A 52 -1.108 23.224 29.652 1.00 0.00 ATOM 401 CA GLN A 52 0.167 23.268 28.913 1.00 0.00 ATOM 402 CB GLN A 52 0.814 21.881 28.877 1.00 0.00 ATOM 403 CG GLN A 52 2.186 21.851 28.223 1.00 0.00 ATOM 404 CD GLN A 52 3.207 22.675 28.983 1.00 0.00 ATOM 405 OE1 GLN A 52 3.303 22.592 30.211 1.00 0.00 ATOM 406 NE2 GLN A 52 3.974 23.481 28.257 1.00 0.00 ATOM 407 O GLN A 52 0.676 24.677 27.020 1.00 0.00 ATOM 408 C GLN A 52 -0.029 23.784 27.467 1.00 0.00 ATOM 409 N CYS A 53 -1.077 23.289 26.816 1.00 0.00 ATOM 410 CA CYS A 53 -1.395 23.704 25.438 1.00 0.00 ATOM 411 CB CYS A 53 -2.502 22.801 24.894 1.00 0.00 ATOM 412 SG CYS A 53 -1.836 21.106 24.709 1.00 0.00 ATOM 413 O CYS A 53 -1.322 25.903 24.444 1.00 0.00 ATOM 414 C CYS A 53 -1.786 25.186 25.326 1.00 0.00 ATOM 415 N ARG A 54 -2.570 25.616 26.305 1.00 0.00 ATOM 416 CA ARG A 54 -3.227 26.936 26.326 1.00 0.00 ATOM 417 CB ARG A 54 -4.679 26.848 26.775 1.00 0.00 ATOM 418 CG ARG A 54 -5.592 26.072 25.838 1.00 0.00 ATOM 419 CD ARG A 54 -7.017 26.044 26.257 1.00 0.00 ATOM 420 NE ARG A 54 -7.887 25.275 25.381 1.00 0.00 ATOM 421 CZ ARG A 54 -9.191 25.035 25.618 1.00 0.00 ATOM 422 NH1 ARG A 54 -9.771 25.466 26.716 1.00 0.00 ATOM 423 NH2 ARG A 54 -9.869 24.333 24.727 1.00 0.00 ATOM 424 O ARG A 54 -2.975 29.157 27.197 1.00 0.00 ATOM 425 C ARG A 54 -2.524 28.007 27.145 1.00 0.00 ATOM 426 N PHE A 55 -1.417 27.654 27.772 1.00 0.00 ATOM 427 CA PHE A 55 -0.701 28.662 28.547 1.00 0.00 ATOM 428 CB PHE A 55 -0.834 28.340 30.039 1.00 0.00 ATOM 429 CG PHE A 55 -1.985 29.007 30.825 1.00 0.00 ATOM 430 CD1 PHE A 55 -1.832 30.338 31.214 1.00 0.00 ATOM 431 CD2 PHE A 55 -3.125 28.333 31.267 1.00 0.00 ATOM 432 CE1 PHE A 55 -2.791 30.991 31.994 1.00 0.00 ATOM 433 CE2 PHE A 55 -4.084 28.985 32.047 1.00 0.00 ATOM 434 CZ PHE A 55 -3.915 30.310 32.413 1.00 0.00 ATOM 435 O PHE A 55 1.735 28.779 28.539 1.00 0.00 ATOM 436 C PHE A 55 0.680 28.923 27.910 1.00 0.00 ATOM 437 N PRO A 56 0.658 29.444 26.671 1.00 0.00 ATOM 438 CA PRO A 56 1.888 29.921 26.010 1.00 0.00 ATOM 439 CB PRO A 56 1.488 30.069 24.553 1.00 0.00 ATOM 440 CG PRO A 56 0.072 30.626 24.660 1.00 0.00 ATOM 441 CD PRO A 56 -0.503 29.977 25.921 1.00 0.00 ATOM 442 O PRO A 56 3.133 31.973 26.192 1.00 0.00 ATOM 443 C PRO A 56 2.222 31.287 26.645 1.00 0.00 ATOM 444 N ARG A 57 1.367 31.748 27.549 1.00 0.00 ATOM 445 CA ARG A 57 1.602 32.999 28.271 1.00 0.00 ATOM 446 CB ARG A 57 0.304 33.701 28.641 1.00 0.00 ATOM 447 CG ARG A 57 -0.478 34.261 27.462 1.00 0.00 ATOM 448 CD ARG A 57 -1.712 34.995 27.840 1.00 0.00 ATOM 449 NE ARG A 57 -2.481 35.500 26.714 1.00 0.00 ATOM 450 CZ ARG A 57 -3.645 36.171 26.822 1.00 0.00 ATOM 451 NH1 ARG A 57 -4.196 36.387 27.996 1.00 0.00 ATOM 452 NH2 ARG A 57 -4.232 36.586 25.713 1.00 0.00 ATOM 453 O ARG A 57 2.374 33.466 30.508 1.00 0.00 ATOM 454 C ARG A 57 2.486 32.770 29.501 1.00 0.00 ATOM 455 N ARG A 58 3.412 31.810 29.364 1.00 0.00 ATOM 456 CA ARG A 58 4.549 31.541 30.260 1.00 0.00 ATOM 457 CB ARG A 58 5.205 32.822 30.753 1.00 0.00 ATOM 458 CG ARG A 58 5.900 33.640 29.675 1.00 0.00 ATOM 459 CD ARG A 58 6.540 34.887 30.169 1.00 0.00 ATOM 460 NE ARG A 58 7.164 35.696 29.134 1.00 0.00 ATOM 461 CZ ARG A 58 7.758 36.886 29.348 1.00 0.00 ATOM 462 NH1 ARG A 58 7.778 37.428 30.545 1.00 0.00 ATOM 463 NH2 ARG A 58 8.299 37.507 28.314 1.00 0.00 ATOM 464 O ARG A 58 4.687 30.823 32.573 1.00 0.00 ATOM 465 C ARG A 58 4.205 30.638 31.460 1.00 0.00 ATOM 466 N LEU A 59 3.503 29.533 31.151 1.00 0.00 ATOM 467 CA LEU A 59 3.170 28.442 32.112 1.00 0.00 ATOM 468 CB LEU A 59 1.656 28.193 32.128 1.00 0.00 ATOM 469 CG LEU A 59 1.170 27.204 33.194 1.00 0.00 ATOM 470 CD1 LEU A 59 1.405 27.778 34.585 1.00 0.00 ATOM 471 CD2 LEU A 59 -0.306 26.907 32.976 1.00 0.00 ATOM 472 O LEU A 59 3.861 26.626 30.650 1.00 0.00 ATOM 473 C LEU A 59 3.917 27.156 31.764 1.00 0.00 ATOM 474 N VAL A 60 4.604 26.658 32.785 1.00 0.00 ATOM 475 CA VAL A 60 5.291 25.357 32.707 1.00 0.00 ATOM 476 CB VAL A 60 6.804 25.501 32.950 1.00 0.00 ATOM 477 CG1 VAL A 60 7.482 24.140 32.908 1.00 0.00 ATOM 478 CG2 VAL A 60 7.423 26.435 31.921 1.00 0.00 ATOM 479 O VAL A 60 4.597 24.746 34.932 1.00 0.00 ATOM 480 C VAL A 60 4.660 24.429 33.744 1.00 0.00 ATOM 481 N VAL A 61 4.253 23.277 33.238 1.00 0.00 ATOM 482 CA VAL A 61 3.705 22.203 34.081 1.00 0.00 ATOM 483 CB VAL A 61 2.413 21.603 33.494 1.00 0.00 ATOM 484 CG1 VAL A 61 1.864 20.475 34.377 1.00 0.00 ATOM 485 CG2 VAL A 61 1.326 22.661 33.310 1.00 0.00 ATOM 486 O VAL A 61 5.427 20.679 33.298 1.00 0.00 ATOM 487 C VAL A 61 4.792 21.139 34.257 1.00 0.00 ATOM 488 N LEU A 62 5.042 20.833 35.515 1.00 0.00 ATOM 489 CA LEU A 62 6.021 19.806 35.879 1.00 0.00 ATOM 490 CB LEU A 62 7.179 20.433 36.667 1.00 0.00 ATOM 491 CG LEU A 62 7.828 21.658 36.012 1.00 0.00 ATOM 492 CD1 LEU A 62 8.863 22.264 36.949 1.00 0.00 ATOM 493 CD2 LEU A 62 8.468 21.249 34.694 1.00 0.00 ATOM 494 O LEU A 62 4.528 18.998 37.584 1.00 0.00 ATOM 495 C LEU A 62 5.311 18.713 36.687 1.00 0.00 ATOM 496 N GLY A 63 5.620 17.468 36.327 1.00 0.00 ATOM 497 CA GLY A 63 5.061 16.289 36.998 1.00 0.00 ATOM 498 O GLY A 63 7.240 15.245 37.054 1.00 0.00 ATOM 499 C GLY A 63 6.171 15.459 37.635 1.00 0.00 ATOM 500 N PHE A 64 5.864 14.980 38.832 1.00 0.00 ATOM 501 CA PHE A 64 6.764 14.152 39.649 1.00 0.00 ATOM 502 CB PHE A 64 7.069 14.833 40.989 1.00 0.00 ATOM 503 CG PHE A 64 8.028 15.994 40.843 1.00 0.00 ATOM 504 CD1 PHE A 64 9.361 15.802 41.167 1.00 0.00 ATOM 505 CD2 PHE A 64 7.566 17.226 40.425 1.00 0.00 ATOM 506 CE1 PHE A 64 10.252 16.860 41.081 1.00 0.00 ATOM 507 CE2 PHE A 64 8.454 18.292 40.334 1.00 0.00 ATOM 508 CZ PHE A 64 9.796 18.109 40.662 1.00 0.00 ATOM 509 O PHE A 64 5.201 12.817 40.863 1.00 0.00 ATOM 510 C PHE A 64 6.069 12.827 39.986 1.00 0.00 ATOM 511 N PRO A 65 6.389 11.732 39.303 1.00 0.00 ATOM 512 CA PRO A 65 5.789 10.428 39.612 1.00 0.00 ATOM 513 CB PRO A 65 6.212 9.520 38.463 1.00 0.00 ATOM 514 CG PRO A 65 7.572 10.095 38.086 1.00 0.00 ATOM 515 CD PRO A 65 7.374 11.602 38.212 1.00 0.00 ATOM 516 O PRO A 65 7.473 9.987 41.299 1.00 0.00 ATOM 517 C PRO A 65 6.291 9.931 40.971 1.00 0.00 ATOM 518 N CYS A 66 5.314 9.592 41.793 1.00 0.00 ATOM 519 CA CYS A 66 5.601 9.108 43.151 1.00 0.00 ATOM 520 CB CYS A 66 5.438 10.224 44.182 1.00 0.00 ATOM 521 SG CYS A 66 6.487 11.668 43.791 1.00 0.00 ATOM 522 O CYS A 66 3.560 7.801 43.132 1.00 0.00 ATOM 523 C CYS A 66 4.732 7.898 43.469 1.00 0.00 ATOM 524 N ASN A 67 5.322 6.968 44.208 1.00 0.00 ATOM 525 CA ASN A 67 4.615 5.704 44.528 1.00 0.00 ATOM 526 CB ASN A 67 5.415 4.493 44.087 1.00 0.00 ATOM 527 CG ASN A 67 6.737 4.352 44.789 1.00 0.00 ATOM 528 ND2 ASN A 67 7.442 3.299 44.463 1.00 0.00 ATOM 529 OD1 ASN A 67 7.147 5.224 45.563 1.00 0.00 ATOM 530 O ASN A 67 3.945 4.450 46.471 1.00 0.00 ATOM 531 C ASN A 67 4.263 5.543 46.011 1.00 0.00 ATOM 532 N GLN A 68 4.219 6.671 46.716 1.00 0.00 ATOM 533 CA GLN A 68 3.925 6.715 48.163 1.00 0.00 ATOM 534 CB GLN A 68 4.346 8.062 48.755 1.00 0.00 ATOM 535 CG GLN A 68 5.843 8.325 48.701 1.00 0.00 ATOM 536 CD GLN A 68 6.642 7.269 49.439 1.00 0.00 ATOM 537 OE1 GLN A 68 6.321 6.908 50.575 1.00 0.00 ATOM 538 NE2 GLN A 68 7.692 6.769 48.799 1.00 0.00 ATOM 539 O GLN A 68 2.119 5.994 49.578 1.00 0.00 ATOM 540 C GLN A 68 2.445 6.481 48.498 1.00 0.00 ATOM 541 N PHE A 69 1.559 6.796 47.567 1.00 0.00 ATOM 542 CA PHE A 69 0.121 6.842 47.914 1.00 0.00 ATOM 543 CB PHE A 69 -0.416 8.261 47.683 1.00 0.00 ATOM 544 CG PHE A 69 0.453 9.352 48.337 1.00 0.00 ATOM 545 CD1 PHE A 69 1.475 9.942 47.601 1.00 0.00 ATOM 546 CD2 PHE A 69 0.279 9.757 49.653 1.00 0.00 ATOM 547 CE1 PHE A 69 2.298 10.909 48.179 1.00 0.00 ATOM 548 CE2 PHE A 69 1.091 10.715 50.227 1.00 0.00 ATOM 549 CZ PHE A 69 2.113 11.305 49.490 1.00 0.00 ATOM 550 O PHE A 69 -1.132 5.738 46.130 1.00 0.00 ATOM 551 C PHE A 69 -0.692 5.698 47.277 1.00 0.00 ATOM 552 N GLY A 70 -0.811 4.604 48.033 1.00 0.00 ATOM 553 CA GLY A 70 -1.480 3.360 47.583 1.00 0.00 ATOM 554 O GLY A 70 -1.342 1.831 45.735 1.00 0.00 ATOM 555 C GLY A 70 -0.731 2.621 46.462 1.00 0.00 ATOM 556 N HIS A 71 0.564 2.891 46.378 1.00 0.00 ATOM 557 CA HIS A 71 1.507 2.329 45.386 1.00 0.00 ATOM 558 CB HIS A 71 1.746 0.839 45.651 1.00 0.00 ATOM 559 CG HIS A 71 2.294 0.551 47.014 1.00 0.00 ATOM 560 CD2 HIS A 71 1.753 -0.097 48.074 1.00 0.00 ATOM 561 ND1 HIS A 71 3.553 0.949 47.408 1.00 0.00 ATOM 562 CE1 HIS A 71 3.765 0.559 48.653 1.00 0.00 ATOM 563 NE2 HIS A 71 2.689 -0.077 49.079 1.00 0.00 ATOM 564 O HIS A 71 1.265 1.722 43.033 1.00 0.00 ATOM 565 C HIS A 71 1.012 2.519 43.950 1.00 0.00 ATOM 566 N GLN A 72 0.403 3.661 43.719 1.00 0.00 ATOM 567 CA GLN A 72 -0.289 3.812 42.430 1.00 0.00 ATOM 568 CB GLN A 72 -1.447 4.797 42.535 1.00 0.00 ATOM 569 CG GLN A 72 -2.438 4.430 43.653 1.00 0.00 ATOM 570 CD GLN A 72 -3.394 3.319 43.225 1.00 0.00 ATOM 571 OE1 GLN A 72 -3.059 2.301 42.646 1.00 0.00 ATOM 572 NE2 GLN A 72 -4.651 3.573 43.481 1.00 0.00 ATOM 573 O GLN A 72 0.405 3.521 40.165 1.00 0.00 ATOM 574 C GLN A 72 0.678 4.031 41.247 1.00 0.00 ATOM 575 N GLU A 73 1.901 4.461 41.572 1.00 0.00 ATOM 576 CA GLU A 73 2.982 4.591 40.562 1.00 0.00 ATOM 577 CB GLU A 73 3.584 5.997 40.600 1.00 0.00 ATOM 578 CG GLU A 73 4.489 6.327 39.423 1.00 0.00 ATOM 579 CD GLU A 73 3.707 6.418 38.141 1.00 0.00 ATOM 580 OE1 GLU A 73 2.501 6.409 38.202 1.00 0.00 ATOM 581 OE2 GLU A 73 4.311 6.610 37.112 1.00 0.00 ATOM 582 O GLU A 73 5.278 3.842 40.995 1.00 0.00 ATOM 583 C GLU A 73 4.104 3.563 40.742 1.00 0.00 ATOM 584 N ASN A 74 3.675 2.317 40.695 1.00 0.00 ATOM 585 CA ASN A 74 4.555 1.149 40.803 1.00 0.00 ATOM 586 CB ASN A 74 3.770 -0.111 41.115 1.00 0.00 ATOM 587 CG ASN A 74 4.634 -1.286 41.484 1.00 0.00 ATOM 588 ND2 ASN A 74 4.595 -2.297 40.654 1.00 0.00 ATOM 589 OD1 ASN A 74 5.383 -1.247 42.468 1.00 0.00 ATOM 590 O ASN A 74 6.476 0.254 39.667 1.00 0.00 ATOM 591 C ASN A 74 5.425 0.880 39.556 1.00 0.00 ATOM 592 N CYS A 75 4.972 1.375 38.416 1.00 0.00 ATOM 593 CA CYS A 75 5.728 1.247 37.159 1.00 0.00 ATOM 594 CB CYS A 75 4.912 1.822 36.001 1.00 0.00 ATOM 595 SG CYS A 75 3.341 0.891 35.886 1.00 0.00 ATOM 596 O CYS A 75 7.270 2.874 38.030 1.00 0.00 ATOM 597 C CYS A 75 7.084 1.943 37.254 1.00 0.00 ATOM 598 N GLN A 76 8.068 1.279 36.678 1.00 0.00 ATOM 599 CA GLN A 76 9.413 1.877 36.572 1.00 0.00 ATOM 600 CB GLN A 76 10.406 0.913 35.928 1.00 0.00 ATOM 601 CG GLN A 76 10.605 -0.337 36.786 1.00 0.00 ATOM 602 CD GLN A 76 11.207 -0.050 38.156 1.00 0.00 ATOM 603 OE1 GLN A 76 12.197 0.631 38.357 1.00 0.00 ATOM 604 NE2 GLN A 76 10.612 -0.635 39.149 1.00 0.00 ATOM 605 O GLN A 76 8.437 3.361 34.951 1.00 0.00 ATOM 606 C GLN A 76 9.350 3.155 35.748 1.00 0.00 ATOM 607 N ASN A 77 10.398 3.960 35.848 1.00 0.00 ATOM 608 CA ASN A 77 10.481 5.210 35.059 1.00 0.00 ATOM 609 CB ASN A 77 11.809 5.918 35.238 1.00 0.00 ATOM 610 CG ASN A 77 11.960 6.559 36.606 1.00 0.00 ATOM 611 ND2 ASN A 77 13.195 6.847 36.881 1.00 0.00 ATOM 612 OD1 ASN A 77 11.066 6.822 37.399 1.00 0.00 ATOM 613 O ASN A 77 9.502 5.636 32.900 1.00 0.00 ATOM 614 C ASN A 77 10.304 4.965 33.555 1.00 0.00 ATOM 615 N GLU A 78 10.963 3.913 33.076 1.00 0.00 ATOM 616 CA GLU A 78 10.877 3.488 31.665 1.00 0.00 ATOM 617 CB GLU A 78 11.873 2.363 31.380 1.00 0.00 ATOM 618 CG GLU A 78 13.331 2.799 31.386 1.00 0.00 ATOM 619 CD GLU A 78 14.252 1.629 31.183 1.00 0.00 ATOM 620 OE1 GLU A 78 13.770 0.523 31.109 1.00 0.00 ATOM 621 OE2 GLU A 78 15.425 1.847 30.989 1.00 0.00 ATOM 622 O GLU A 78 9.124 3.178 30.049 1.00 0.00 ATOM 623 C GLU A 78 9.486 3.014 31.212 1.00 0.00 ATOM 624 N GLU A 79 8.650 2.656 32.188 1.00 0.00 ATOM 625 CA GLU A 79 7.289 2.126 31.948 1.00 0.00 ATOM 626 CB GLU A 79 6.983 0.956 32.886 1.00 0.00 ATOM 627 CG GLU A 79 7.886 -0.261 32.715 1.00 0.00 ATOM 628 CD GLU A 79 7.497 -1.311 33.766 1.00 0.00 ATOM 629 OE1 GLU A 79 7.591 -0.979 34.968 1.00 0.00 ATOM 630 OE2 GLU A 79 7.053 -2.415 33.405 1.00 0.00 ATOM 631 O GLU A 79 4.988 2.803 31.891 1.00 0.00 ATOM 632 C GLU A 79 6.139 3.128 32.176 1.00 0.00 ATOM 633 N ILE A 80 6.443 4.361 32.589 1.00 0.00 ATOM 634 CA ILE A 80 5.391 5.353 32.923 1.00 0.00 ATOM 635 CB ILE A 80 5.980 6.582 33.638 1.00 0.00 ATOM 636 CG1 ILE A 80 6.627 6.170 34.964 1.00 0.00 ATOM 637 CG2 ILE A 80 4.902 7.630 33.872 1.00 0.00 ATOM 638 CD1 ILE A 80 7.461 7.258 35.601 1.00 0.00 ATOM 639 O ILE A 80 3.403 5.817 31.627 1.00 0.00 ATOM 640 C ILE A 80 4.637 5.823 31.671 1.00 0.00 ATOM 641 N LEU A 81 5.403 6.300 30.694 1.00 0.00 ATOM 642 CA LEU A 81 4.806 6.891 29.480 1.00 0.00 ATOM 643 CB LEU A 81 5.905 7.430 28.556 1.00 0.00 ATOM 644 CG LEU A 81 5.404 8.118 27.279 1.00 0.00 ATOM 645 CD1 LEU A 81 4.548 9.324 27.638 1.00 0.00 ATOM 646 CD2 LEU A 81 6.593 8.536 26.427 1.00 0.00 ATOM 647 O LEU A 81 2.821 6.189 28.323 1.00 0.00 ATOM 648 C LEU A 81 3.937 5.871 28.735 1.00 0.00 ATOM 649 N ASN A 82 4.372 4.616 28.738 1.00 0.00 ATOM 650 CA ASN A 82 3.557 3.530 28.171 1.00 0.00 ATOM 651 CB ASN A 82 4.333 2.226 28.095 1.00 0.00 ATOM 652 CG ASN A 82 5.385 2.213 27.008 1.00 0.00 ATOM 653 ND2 ASN A 82 6.275 1.271 27.173 1.00 0.00 ATOM 654 OD1 ASN A 82 5.387 2.946 26.035 1.00 0.00 ATOM 655 O ASN A 82 1.209 3.088 28.328 1.00 0.00 ATOM 656 C ASN A 82 2.252 3.294 28.941 1.00 0.00 ATOM 657 N SER A 83 2.322 3.378 30.267 1.00 0.00 ATOM 658 CA SER A 83 1.125 3.251 31.117 1.00 0.00 ATOM 659 CB SER A 83 1.473 3.278 32.605 1.00 0.00 ATOM 660 OG SER A 83 2.237 2.115 32.938 1.00 0.00 ATOM 661 O SER A 83 -1.051 4.119 30.565 1.00 0.00 ATOM 662 C SER A 83 0.129 4.372 30.812 1.00 0.00 ATOM 663 N LEU A 84 0.661 5.575 30.625 1.00 0.00 ATOM 664 CA LEU A 84 -0.142 6.745 30.254 1.00 0.00 ATOM 665 CB LEU A 84 0.714 8.008 30.273 1.00 0.00 ATOM 666 CG LEU A 84 1.131 8.439 31.679 1.00 0.00 ATOM 667 CD1 LEU A 84 2.113 9.585 31.490 1.00 0.00 ATOM 668 CD2 LEU A 84 -0.095 8.859 32.508 1.00 0.00 ATOM 669 O LEU A 84 -1.999 6.840 28.745 1.00 0.00 ATOM 670 C LEU A 84 -0.796 6.626 28.881 1.00 0.00 ATOM 671 N LYS A 85 -0.011 6.123 27.931 1.00 0.00 ATOM 672 CA LYS A 85 -0.433 5.965 26.525 1.00 0.00 ATOM 673 CB LYS A 85 0.800 5.745 25.637 1.00 0.00 ATOM 674 CG LYS A 85 0.445 5.659 24.144 1.00 0.00 ATOM 675 CD LYS A 85 1.697 5.525 23.290 1.00 0.00 ATOM 676 CE LYS A 85 1.314 5.445 21.810 1.00 0.00 ATOM 677 NZ LYS A 85 2.517 5.292 20.988 1.00 0.00 ATOM 678 O LYS A 85 -2.467 5.035 25.706 1.00 0.00 ATOM 679 C LYS A 85 -1.443 4.829 26.349 1.00 0.00 ATOM 680 N TYR A 86 -1.162 3.675 26.938 1.00 0.00 ATOM 681 CA TYR A 86 -1.926 2.444 26.631 1.00 0.00 ATOM 682 CB TYR A 86 -0.974 1.278 26.353 1.00 0.00 ATOM 683 CG TYR A 86 -0.078 1.492 25.154 1.00 0.00 ATOM 684 CD1 TYR A 86 1.244 1.881 25.311 1.00 0.00 ATOM 685 CD2 TYR A 86 -0.556 1.301 23.865 1.00 0.00 ATOM 686 CE1 TYR A 86 2.067 2.077 24.219 1.00 0.00 ATOM 687 CE2 TYR A 86 0.257 1.495 22.765 1.00 0.00 ATOM 688 CZ TYR A 86 1.569 1.882 22.947 1.00 0.00 ATOM 689 OH TYR A 86 2.384 2.075 21.855 1.00 0.00 ATOM 690 O TYR A 86 -3.714 1.100 27.412 1.00 0.00 ATOM 691 C TYR A 86 -2.908 1.987 27.701 1.00 0.00 ATOM 692 N VAL A 87 -2.744 2.472 28.918 1.00 0.00 ATOM 693 CA VAL A 87 -3.537 2.027 30.089 1.00 0.00 ATOM 694 CB VAL A 87 -2.647 1.524 31.233 1.00 0.00 ATOM 695 CG1 VAL A 87 -3.444 1.043 32.455 1.00 0.00 ATOM 696 CG2 VAL A 87 -1.794 0.361 30.766 1.00 0.00 ATOM 697 O VAL A 87 -5.650 2.954 30.707 1.00 0.00 ATOM 698 C VAL A 87 -4.451 3.156 30.578 1.00 0.00 ATOM 699 N ARG A 88 -3.870 4.146 31.212 1.00 0.00 ATOM 700 CA ARG A 88 -4.635 5.246 31.836 1.00 0.00 ATOM 701 CB ARG A 88 -5.115 4.891 33.235 1.00 0.00 ATOM 702 CG ARG A 88 -6.229 5.776 33.772 1.00 0.00 ATOM 703 CD ARG A 88 -6.751 5.363 35.100 1.00 0.00 ATOM 704 NE ARG A 88 -7.782 6.235 35.639 1.00 0.00 ATOM 705 CZ ARG A 88 -8.497 5.979 36.751 1.00 0.00 ATOM 706 NH1 ARG A 88 -8.325 4.863 37.425 1.00 0.00 ATOM 707 NH2 ARG A 88 -9.396 6.869 37.136 1.00 0.00 ATOM 708 O ARG A 88 -2.665 6.490 32.323 1.00 0.00 ATOM 709 C ARG A 88 -3.777 6.515 31.800 1.00 0.00 ATOM 710 N PRO A 89 -4.289 7.564 31.161 1.00 0.00 ATOM 711 CA PRO A 89 -5.603 7.632 30.488 1.00 0.00 ATOM 712 CB PRO A 89 -5.799 9.092 30.075 1.00 0.00 ATOM 713 CG PRO A 89 -4.399 9.684 30.116 1.00 0.00 ATOM 714 CD PRO A 89 -3.575 8.844 31.078 1.00 0.00 ATOM 715 O PRO A 89 -6.957 6.355 29.008 1.00 0.00 ATOM 716 C PRO A 89 -5.818 6.692 29.299 1.00 0.00 ATOM 717 N GLY A 90 -4.712 6.218 28.729 1.00 0.00 ATOM 718 CA GLY A 90 -4.751 5.310 27.563 1.00 0.00 ATOM 719 O GLY A 90 -5.429 7.294 26.342 1.00 0.00 ATOM 720 C GLY A 90 -5.302 6.067 26.345 1.00 0.00 ATOM 721 N GLY A 91 -5.531 5.295 25.284 1.00 0.00 ATOM 722 CA GLY A 91 -6.045 5.829 24.012 1.00 0.00 ATOM 723 O GLY A 91 -5.502 7.482 22.409 1.00 0.00 ATOM 724 C GLY A 91 -5.073 6.758 23.296 1.00 0.00 ATOM 725 N GLY A 92 -3.817 6.677 23.714 1.00 0.00 ATOM 726 CA GLY A 92 -2.667 7.363 23.099 1.00 0.00 ATOM 727 O GLY A 92 -1.432 9.400 23.244 1.00 0.00 ATOM 728 C GLY A 92 -2.275 8.690 23.767 1.00 0.00 ATOM 729 N TYR A 93 -2.698 8.871 25.009 1.00 0.00 ATOM 730 CA TYR A 93 -2.338 10.082 25.766 1.00 0.00 ATOM 731 CB TYR A 93 -3.058 10.131 27.113 1.00 0.00 ATOM 732 CG TYR A 93 -2.606 11.315 27.976 1.00 0.00 ATOM 733 CD1 TYR A 93 -3.134 12.583 27.767 1.00 0.00 ATOM 734 CD2 TYR A 93 -1.665 11.129 28.980 1.00 0.00 ATOM 735 CE1 TYR A 93 -2.730 13.655 28.557 1.00 0.00 ATOM 736 CE2 TYR A 93 -1.262 12.200 29.769 1.00 0.00 ATOM 737 CZ TYR A 93 -1.790 13.462 29.552 1.00 0.00 ATOM 738 OH TYR A 93 -1.321 14.521 30.267 1.00 0.00 ATOM 739 O TYR A 93 -0.160 9.285 26.467 1.00 0.00 ATOM 740 C TYR A 93 -0.836 10.214 26.003 1.00 0.00 ATOM 741 N GLN A 94 -0.407 11.443 25.800 1.00 0.00 ATOM 742 CA GLN A 94 0.991 11.848 26.040 1.00 0.00 ATOM 743 CB GLN A 94 1.764 11.914 24.719 1.00 0.00 ATOM 744 CG GLN A 94 3.234 12.261 24.875 1.00 0.00 ATOM 745 CD GLN A 94 3.981 12.227 23.555 1.00 0.00 ATOM 746 OE1 GLN A 94 3.395 11.961 22.501 1.00 0.00 ATOM 747 NE2 GLN A 94 5.282 12.491 23.605 1.00 0.00 ATOM 748 O GLN A 94 0.377 14.149 26.286 1.00 0.00 ATOM 749 C GLN A 94 1.024 13.200 26.744 1.00 0.00 ATOM 750 N PRO A 95 1.740 13.284 27.870 1.00 0.00 ATOM 751 CA PRO A 95 1.884 14.558 28.602 1.00 0.00 ATOM 752 CB PRO A 95 2.648 14.183 29.871 1.00 0.00 ATOM 753 CG PRO A 95 3.495 12.988 29.417 1.00 0.00 ATOM 754 CD PRO A 95 2.543 12.218 28.503 1.00 0.00 ATOM 755 O PRO A 95 3.599 15.181 27.013 1.00 0.00 ATOM 756 C PRO A 95 2.654 15.541 27.717 1.00 0.00 ATOM 757 N THR A 96 2.181 16.779 27.720 1.00 0.00 ATOM 758 CA THR A 96 2.832 17.822 26.922 1.00 0.00 ATOM 759 CB THR A 96 1.804 18.694 26.179 1.00 0.00 ATOM 760 CG2 THR A 96 1.111 17.922 25.064 1.00 0.00 ATOM 761 OG1 THR A 96 0.873 19.227 27.117 1.00 0.00 ATOM 762 O THR A 96 4.217 19.741 27.367 1.00 0.00 ATOM 763 C THR A 96 3.746 18.697 27.789 1.00 0.00 ATOM 764 N PHE A 97 4.044 18.257 29.001 1.00 0.00 ATOM 765 CA PHE A 97 4.894 19.040 29.922 1.00 0.00 ATOM 766 CB PHE A 97 4.009 19.486 31.091 1.00 0.00 ATOM 767 CG PHE A 97 3.442 18.332 31.908 1.00 0.00 ATOM 768 CD1 PHE A 97 4.152 17.834 32.988 1.00 0.00 ATOM 769 CD2 PHE A 97 2.219 17.774 31.567 1.00 0.00 ATOM 770 CE1 PHE A 97 3.642 16.780 33.711 1.00 0.00 ATOM 771 CE2 PHE A 97 1.705 16.716 32.307 1.00 0.00 ATOM 772 CZ PHE A 97 2.423 16.213 33.376 1.00 0.00 ATOM 773 O PHE A 97 6.737 17.625 29.464 1.00 0.00 ATOM 774 C PHE A 97 6.200 18.311 30.306 1.00 0.00 ATOM 775 N THR A 98 6.795 18.492 31.481 1.00 0.00 ATOM 776 CA THR A 98 8.048 17.776 31.850 1.00 0.00 ATOM 777 CB THR A 98 9.204 18.713 32.286 1.00 0.00 ATOM 778 CG2 THR A 98 10.431 17.960 32.824 1.00 0.00 ATOM 779 OG1 THR A 98 9.599 19.569 31.214 1.00 0.00 ATOM 780 O THR A 98 7.434 17.283 34.113 1.00 0.00 ATOM 781 C THR A 98 7.747 16.831 33.011 1.00 0.00 ATOM 782 N LEU A 99 8.081 15.560 32.790 1.00 0.00 ATOM 783 CA LEU A 99 8.062 14.576 33.875 1.00 0.00 ATOM 784 CB LEU A 99 7.299 13.306 33.446 1.00 0.00 ATOM 785 CG LEU A 99 5.837 13.614 33.107 1.00 0.00 ATOM 786 CD1 LEU A 99 5.080 12.443 32.481 1.00 0.00 ATOM 787 CD2 LEU A 99 5.056 13.887 34.387 1.00 0.00 ATOM 788 O LEU A 99 10.395 14.075 33.448 1.00 0.00 ATOM 789 C LEU A 99 9.499 14.223 34.288 1.00 0.00 ATOM 790 N VAL A 100 9.669 14.097 35.589 1.00 0.00 ATOM 791 CA VAL A 100 10.962 13.703 36.179 1.00 0.00 ATOM 792 CB VAL A 100 11.318 14.578 37.396 1.00 0.00 ATOM 793 CG1 VAL A 100 11.319 16.049 37.012 1.00 0.00 ATOM 794 CG2 VAL A 100 10.342 14.327 38.536 1.00 0.00 ATOM 795 O VAL A 100 9.863 11.640 36.707 1.00 0.00 ATOM 796 C VAL A 100 10.931 12.230 36.599 1.00 0.00 ATOM 797 N GLN A 101 12.071 11.711 37.004 1.00 0.00 ATOM 798 CA GLN A 101 12.207 10.357 37.549 1.00 0.00 ATOM 799 CB GLN A 101 13.663 10.044 37.867 1.00 0.00 ATOM 800 CG GLN A 101 14.508 9.870 36.605 1.00 0.00 ATOM 801 CD GLN A 101 15.865 9.232 36.927 1.00 0.00 ATOM 802 OE1 GLN A 101 16.189 8.829 38.033 1.00 0.00 ATOM 803 NE2 GLN A 101 16.650 9.072 35.900 1.00 0.00 ATOM 804 O GLN A 101 11.102 11.276 39.492 1.00 0.00 ATOM 805 C GLN A 101 11.383 10.270 38.836 1.00 0.00 ATOM 806 N LYS A 102 10.928 9.058 39.105 1.00 0.00 ATOM 807 CA LYS A 102 10.194 8.813 40.356 1.00 0.00 ATOM 808 CB LYS A 102 9.817 7.347 40.451 1.00 0.00 ATOM 809 CG LYS A 102 8.475 6.988 39.831 1.00 0.00 ATOM 810 CD LYS A 102 8.335 5.482 39.605 1.00 0.00 ATOM 811 CE LYS A 102 8.193 4.709 40.917 1.00 0.00 ATOM 812 NZ LYS A 102 7.928 3.298 40.640 1.00 0.00 ATOM 813 O LYS A 102 12.296 9.064 41.525 1.00 0.00 ATOM 814 C LYS A 102 11.071 9.191 41.557 1.00 0.00 ATOM 815 N CYS A 103 10.380 9.734 42.551 1.00 0.00 ATOM 816 CA CYS A 103 11.012 10.143 43.803 1.00 0.00 ATOM 817 CB CYS A 103 11.367 11.618 43.718 1.00 0.00 ATOM 818 SG CYS A 103 9.906 12.712 43.542 1.00 0.00 ATOM 819 O CYS A 103 8.860 9.636 44.788 1.00 0.00 ATOM 820 C CYS A 103 10.038 9.963 44.969 1.00 0.00 ATOM 821 N GLU A 104 10.567 10.254 46.148 1.00 0.00 ATOM 822 CA GLU A 104 9.762 10.381 47.363 1.00 0.00 ATOM 823 CB GLU A 104 10.401 9.696 48.579 1.00 0.00 ATOM 824 CG GLU A 104 10.620 8.185 48.389 1.00 0.00 ATOM 825 CD GLU A 104 11.933 7.809 47.676 1.00 0.00 ATOM 826 OE1 GLU A 104 12.702 8.722 47.329 1.00 0.00 ATOM 827 OE2 GLU A 104 12.136 6.588 47.503 1.00 0.00 ATOM 828 O GLU A 104 10.365 12.732 47.312 1.00 0.00 ATOM 829 C GLU A 104 9.569 11.872 47.664 1.00 0.00 ATOM 830 N VAL A 105 8.386 12.153 48.200 1.00 0.00 ATOM 831 CA VAL A 105 8.018 13.519 48.618 1.00 0.00 ATOM 832 CB VAL A 105 6.613 13.905 48.118 1.00 0.00 ATOM 833 CG1 VAL A 105 6.441 13.511 46.658 1.00 0.00 ATOM 834 CG2 VAL A 105 5.543 13.245 48.975 1.00 0.00 ATOM 835 O VAL A 105 8.131 14.853 50.622 1.00 0.00 ATOM 836 C VAL A 105 8.048 13.721 50.139 1.00 0.00 ATOM 837 N ASN A 106 7.775 12.628 50.842 1.00 0.00 ATOM 838 CA ASN A 106 7.752 12.608 52.308 1.00 0.00 ATOM 839 CB ASN A 106 6.365 12.207 52.813 1.00 0.00 ATOM 840 CG ASN A 106 5.296 13.224 52.469 1.00 0.00 ATOM 841 ND2 ASN A 106 4.110 12.711 52.351 1.00 0.00 ATOM 842 OD1 ASN A 106 5.499 14.423 52.349 1.00 0.00 ATOM 843 O ASN A 106 9.196 10.671 52.230 1.00 0.00 ATOM 844 C ASN A 106 8.784 11.634 52.887 1.00 0.00 ATOM 845 N GLY A 107 9.039 11.851 54.162 1.00 0.00 ATOM 846 CA GLY A 107 10.000 11.079 54.954 1.00 0.00 ATOM 847 O GLY A 107 11.768 12.315 53.881 1.00 0.00 ATOM 848 C GLY A 107 11.456 11.485 54.722 1.00 0.00 ATOM 849 N GLN A 108 12.331 10.687 55.322 1.00 0.00 ATOM 850 CA GLN A 108 13.791 10.885 55.291 1.00 0.00 ATOM 851 CB GLN A 108 14.491 9.851 56.178 1.00 0.00 ATOM 852 CG GLN A 108 14.267 10.053 57.666 1.00 0.00 ATOM 853 CD GLN A 108 14.944 8.986 58.505 1.00 0.00 ATOM 854 OE1 GLN A 108 15.621 8.099 57.977 1.00 0.00 ATOM 855 NE2 GLN A 108 14.762 9.062 59.817 1.00 0.00 ATOM 856 O GLN A 108 15.594 11.186 53.798 1.00 0.00 ATOM 857 C GLN A 108 14.430 10.811 53.913 1.00 0.00 ATOM 858 N ASN A 109 13.764 10.180 52.953 1.00 0.00 ATOM 859 CA ASN A 109 14.240 10.031 51.554 1.00 0.00 ATOM 860 CB ASN A 109 14.070 8.607 51.058 1.00 0.00 ATOM 861 CG ASN A 109 14.935 7.609 51.776 1.00 0.00 ATOM 862 ND2 ASN A 109 14.297 6.637 52.378 1.00 0.00 ATOM 863 OD1 ASN A 109 16.170 7.675 51.725 1.00 0.00 ATOM 864 O ASN A 109 13.976 10.934 49.349 1.00 0.00 ATOM 865 C ASN A 109 13.594 10.956 50.514 1.00 0.00 ATOM 866 N GLU A 110 12.673 11.810 50.967 1.00 0.00 ATOM 867 CA GLU A 110 12.113 12.862 50.109 1.00 0.00 ATOM 868 CB GLU A 110 11.278 13.840 50.937 1.00 0.00 ATOM 869 CG GLU A 110 12.060 14.583 52.012 1.00 0.00 ATOM 870 CD GLU A 110 11.139 15.253 52.993 1.00 0.00 ATOM 871 OE1 GLU A 110 9.951 15.067 52.887 1.00 0.00 ATOM 872 OE2 GLU A 110 11.629 15.859 53.917 1.00 0.00 ATOM 873 O GLU A 110 14.233 14.108 49.785 1.00 0.00 ATOM 874 C GLU A 110 13.174 13.664 49.323 1.00 0.00 ATOM 875 N HIS A 111 12.811 13.920 48.081 1.00 0.00 ATOM 876 CA HIS A 111 13.626 14.763 47.204 1.00 0.00 ATOM 877 CB HIS A 111 12.952 14.855 45.828 1.00 0.00 ATOM 878 CG HIS A 111 13.899 15.449 44.776 1.00 0.00 ATOM 879 CD2 HIS A 111 13.657 16.506 44.003 1.00 0.00 ATOM 880 ND1 HIS A 111 15.123 15.027 44.473 1.00 0.00 ATOM 881 CE1 HIS A 111 15.620 15.784 43.506 1.00 0.00 ATOM 882 NE2 HIS A 111 14.731 16.718 43.248 1.00 0.00 ATOM 883 O HIS A 111 12.697 16.626 48.392 1.00 0.00 ATOM 884 C HIS A 111 13.718 16.147 47.887 1.00 0.00 ATOM 885 N PRO A 112 14.892 16.793 47.897 1.00 0.00 ATOM 886 CA PRO A 112 15.085 18.084 48.597 1.00 0.00 ATOM 887 CB PRO A 112 16.458 18.554 48.168 1.00 0.00 ATOM 888 CG PRO A 112 17.229 17.277 47.836 1.00 0.00 ATOM 889 CD PRO A 112 16.155 16.369 47.254 1.00 0.00 ATOM 890 O PRO A 112 13.670 19.960 49.001 1.00 0.00 ATOM 891 C PRO A 112 14.074 19.152 48.183 1.00 0.00 ATOM 892 N VAL A 113 13.611 19.093 46.924 1.00 0.00 ATOM 893 CA VAL A 113 12.565 20.013 46.411 1.00 0.00 ATOM 894 CB VAL A 113 12.111 19.638 44.982 1.00 0.00 ATOM 895 CG1 VAL A 113 10.928 20.481 44.484 1.00 0.00 ATOM 896 CG2 VAL A 113 13.262 19.688 43.971 1.00 0.00 ATOM 897 O VAL A 113 10.790 21.011 47.724 1.00 0.00 ATOM 898 C VAL A 113 11.329 19.988 47.329 1.00 0.00 ATOM 899 N PHE A 114 10.814 18.771 47.461 1.00 0.00 ATOM 900 CA PHE A 114 9.596 18.502 48.230 1.00 0.00 ATOM 901 CB PHE A 114 9.083 17.098 47.950 1.00 0.00 ATOM 902 CG PHE A 114 8.421 17.118 46.576 1.00 0.00 ATOM 903 CD1 PHE A 114 9.186 16.951 45.433 1.00 0.00 ATOM 904 CD2 PHE A 114 7.040 17.294 46.470 1.00 0.00 ATOM 905 CE1 PHE A 114 8.568 16.951 44.192 1.00 0.00 ATOM 906 CE2 PHE A 114 6.428 17.267 45.224 1.00 0.00 ATOM 907 CZ PHE A 114 7.194 17.100 44.080 1.00 0.00 ATOM 908 O PHE A 114 8.822 19.391 50.294 1.00 0.00 ATOM 909 C PHE A 114 9.711 18.764 49.731 1.00 0.00 ATOM 910 N ALA A 115 10.895 18.472 50.288 1.00 0.00 ATOM 911 CA ALA A 115 11.223 18.843 51.677 1.00 0.00 ATOM 912 CB ALA A 115 12.653 18.424 52.014 1.00 0.00 ATOM 913 O ALA A 115 10.547 20.905 52.780 1.00 0.00 ATOM 914 C ALA A 115 11.135 20.371 51.846 1.00 0.00 ATOM 915 N TYR A 116 11.593 21.056 50.800 1.00 0.00 ATOM 916 CA TYR A 116 11.562 22.529 50.753 1.00 0.00 ATOM 917 CB TYR A 116 12.487 23.019 49.642 1.00 0.00 ATOM 918 CG TYR A 116 13.970 22.762 49.841 1.00 0.00 ATOM 919 CD1 TYR A 116 14.457 22.088 50.957 1.00 0.00 ATOM 920 CD2 TYR A 116 14.860 23.243 48.904 1.00 0.00 ATOM 921 CE1 TYR A 116 15.810 21.930 51.153 1.00 0.00 ATOM 922 CE2 TYR A 116 16.220 23.089 49.121 1.00 0.00 ATOM 923 CZ TYR A 116 16.700 22.436 50.237 1.00 0.00 ATOM 924 OH TYR A 116 18.036 22.277 50.387 1.00 0.00 ATOM 925 O TYR A 116 9.762 23.969 51.435 1.00 0.00 ATOM 926 C TYR A 116 10.173 23.121 50.631 1.00 0.00 ATOM 927 N LEU A 117 9.442 22.564 49.677 1.00 0.00 ATOM 928 CA LEU A 117 8.063 22.990 49.389 1.00 0.00 ATOM 929 CB LEU A 117 7.526 22.251 48.157 1.00 0.00 ATOM 930 CG LEU A 117 8.176 22.647 46.825 1.00 0.00 ATOM 931 CD1 LEU A 117 7.695 21.723 45.714 1.00 0.00 ATOM 932 CD2 LEU A 117 7.838 24.096 46.505 1.00 0.00 ATOM 933 O LEU A 117 6.442 23.616 51.050 1.00 0.00 ATOM 934 C LEU A 117 7.172 22.743 50.605 1.00 0.00 ATOM 935 N LYS A 118 7.356 21.613 51.253 1.00 0.00 ATOM 936 CA LYS A 118 6.568 21.289 52.447 1.00 0.00 ATOM 937 CB LYS A 118 6.942 19.885 52.877 1.00 0.00 ATOM 938 CG LYS A 118 6.177 18.742 52.220 1.00 0.00 ATOM 939 CD LYS A 118 6.301 17.503 53.095 1.00 0.00 ATOM 940 CE LYS A 118 7.692 16.894 53.090 1.00 0.00 ATOM 941 NZ LYS A 118 7.667 15.648 53.855 1.00 0.00 ATOM 942 O LYS A 118 5.832 22.829 54.128 1.00 0.00 ATOM 943 C LYS A 118 6.795 22.304 53.579 1.00 0.00 ATOM 944 N ASP A 119 8.062 22.659 53.812 1.00 0.00 ATOM 945 CA ASP A 119 8.418 23.612 54.884 1.00 0.00 ATOM 946 CB ASP A 119 9.933 23.633 55.101 1.00 0.00 ATOM 947 CG ASP A 119 10.486 22.396 55.793 1.00 0.00 ATOM 948 OD1 ASP A 119 9.707 21.633 56.318 1.00 0.00 ATOM 949 OD2 ASP A 119 11.658 22.138 55.659 1.00 0.00 ATOM 950 O ASP A 119 7.391 25.741 55.432 1.00 0.00 ATOM 951 C ASP A 119 7.919 25.027 54.574 1.00 0.00 ATOM 952 N LYS A 120 8.043 25.395 53.301 1.00 0.00 ATOM 953 CA LYS A 120 7.680 26.744 52.857 1.00 0.00 ATOM 954 CB LYS A 120 8.186 26.994 51.435 1.00 0.00 ATOM 955 CG LYS A 120 8.540 28.446 51.140 1.00 0.00 ATOM 956 CD LYS A 120 7.292 29.293 50.947 1.00 0.00 ATOM 957 CE LYS A 120 7.639 30.683 50.438 1.00 0.00 ATOM 958 NZ LYS A 120 6.422 31.467 50.087 1.00 0.00 ATOM 959 O LYS A 120 5.694 28.069 53.214 1.00 0.00 ATOM 960 C LYS A 120 6.166 26.980 52.915 1.00 0.00 ATOM 961 N LEU A 121 5.427 25.961 52.487 1.00 0.00 ATOM 962 CA LEU A 121 3.964 26.057 52.391 1.00 0.00 ATOM 963 CB LEU A 121 3.455 24.919 51.504 1.00 0.00 ATOM 964 CG LEU A 121 3.638 25.167 49.996 1.00 0.00 ATOM 965 CD1 LEU A 121 2.798 26.356 49.542 1.00 0.00 ATOM 966 CD2 LEU A 121 5.054 25.472 49.520 1.00 0.00 ATOM 967 O LEU A 121 3.755 25.058 54.501 1.00 0.00 ATOM 968 C LEU A 121 3.369 25.973 53.791 1.00 0.00 ATOM 969 N PRO A 122 2.348 26.769 54.076 1.00 0.00 ATOM 970 CA PRO A 122 1.584 26.603 55.312 1.00 0.00 ATOM 971 CB PRO A 122 1.153 28.059 55.575 1.00 0.00 ATOM 972 CG PRO A 122 0.834 28.635 54.204 1.00 0.00 ATOM 973 CD PRO A 122 1.932 27.984 53.351 1.00 0.00 ATOM 974 O PRO A 122 -0.715 26.149 55.146 1.00 0.00 ATOM 975 C PRO A 122 0.400 25.661 55.033 1.00 0.00 ATOM 976 N TYR A 123 0.553 24.363 54.661 1.00 0.00 ATOM 977 CA TYR A 123 -0.623 23.490 54.343 1.00 0.00 ATOM 978 CB TYR A 123 -1.568 23.406 55.543 1.00 0.00 ATOM 979 CG TYR A 123 -0.898 22.946 56.819 1.00 0.00 ATOM 980 CD1 TYR A 123 -0.386 23.864 57.725 1.00 0.00 ATOM 981 CD2 TYR A 123 -0.781 21.597 57.114 1.00 0.00 ATOM 982 CE1 TYR A 123 0.226 23.449 58.893 1.00 0.00 ATOM 983 CE2 TYR A 123 -0.172 21.171 58.277 1.00 0.00 ATOM 984 CZ TYR A 123 0.332 22.101 59.165 1.00 0.00 ATOM 985 OH TYR A 123 0.939 21.681 60.327 1.00 0.00 ATOM 986 O TYR A 123 -1.307 25.130 52.737 1.00 0.00 ATOM 987 C TYR A 123 -1.438 23.959 53.101 1.00 0.00 ATOM 988 N PRO A 124 -2.277 23.144 52.427 1.00 0.00 ATOM 989 CA PRO A 124 -3.093 23.646 51.298 1.00 0.00 ATOM 990 CB PRO A 124 -3.985 22.481 50.876 1.00 0.00 ATOM 991 CG PRO A 124 -3.234 21.252 51.360 1.00 0.00 ATOM 992 CD PRO A 124 -2.519 21.704 52.630 1.00 0.00 ATOM 993 O PRO A 124 -4.625 24.693 52.826 1.00 0.00 ATOM 994 C PRO A 124 -3.994 24.781 51.766 1.00 0.00 ATOM 995 N TYR A 125 -4.095 25.835 50.950 1.00 0.00 ATOM 996 CA TYR A 125 -4.933 27.006 51.257 1.00 0.00 ATOM 997 CB TYR A 125 -4.787 28.071 50.167 1.00 0.00 ATOM 998 CG TYR A 125 -5.591 29.325 50.424 1.00 0.00 ATOM 999 CD1 TYR A 125 -5.176 30.260 51.361 1.00 0.00 ATOM 1000 CD2 TYR A 125 -6.765 29.571 49.727 1.00 0.00 ATOM 1001 CE1 TYR A 125 -5.907 31.407 51.599 1.00 0.00 ATOM 1002 CE2 TYR A 125 -7.505 30.715 49.955 1.00 0.00 ATOM 1003 CZ TYR A 125 -7.073 31.631 50.892 1.00 0.00 ATOM 1004 OH TYR A 125 -7.805 32.773 51.124 1.00 0.00 ATOM 1005 O TYR A 125 -7.085 27.308 52.276 1.00 0.00 ATOM 1006 C TYR A 125 -6.430 26.695 51.426 1.00 0.00 ATOM 1007 N ASP A 126 -6.895 25.678 50.693 1.00 0.00 ATOM 1008 CA ASP A 126 -8.316 25.310 50.630 1.00 0.00 ATOM 1009 CB ASP A 126 -8.716 24.958 49.195 1.00 0.00 ATOM 1010 CG ASP A 126 -8.589 26.110 48.207 1.00 0.00 ATOM 1011 OD1 ASP A 126 -9.059 27.181 48.509 1.00 0.00 ATOM 1012 OD2 ASP A 126 -7.890 25.956 47.232 1.00 0.00 ATOM 1013 O ASP A 126 -9.874 23.817 51.696 1.00 0.00 ATOM 1014 C ASP A 126 -8.696 24.137 51.545 1.00 0.00 ATOM 1015 N ASP A 127 -7.701 23.459 52.088 1.00 0.00 ATOM 1016 CA ASP A 127 -7.908 22.352 53.041 1.00 0.00 ATOM 1017 CB ASP A 127 -8.096 21.029 52.295 1.00 0.00 ATOM 1018 CG ASP A 127 -8.447 19.846 53.188 1.00 0.00 ATOM 1019 OD1 ASP A 127 -8.425 20.004 54.386 1.00 0.00 ATOM 1020 OD2 ASP A 127 -8.883 18.846 52.671 1.00 0.00 ATOM 1021 O ASP A 127 -5.680 21.694 53.693 1.00 0.00 ATOM 1022 C ASP A 127 -6.731 22.243 54.027 1.00 0.00 ATOM 1023 N PRO A 128 -6.839 22.896 55.188 1.00 0.00 ATOM 1024 CA PRO A 128 -5.757 22.904 56.191 1.00 0.00 ATOM 1025 CB PRO A 128 -6.040 24.160 57.013 1.00 0.00 ATOM 1026 CG PRO A 128 -7.554 24.271 57.000 1.00 0.00 ATOM 1027 CD PRO A 128 -7.976 23.720 55.633 1.00 0.00 ATOM 1028 O PRO A 128 -4.749 21.507 57.819 1.00 0.00 ATOM 1029 C PRO A 128 -5.704 21.636 57.059 1.00 0.00 ATOM 1030 N PHE A 129 -6.733 20.786 56.976 1.00 0.00 ATOM 1031 CA PHE A 129 -6.894 19.656 57.915 1.00 0.00 ATOM 1032 CB PHE A 129 -8.311 19.639 58.492 1.00 0.00 ATOM 1033 CG PHE A 129 -8.620 20.816 59.373 1.00 0.00 ATOM 1034 CD1 PHE A 129 -9.332 21.900 58.883 1.00 0.00 ATOM 1035 CD2 PHE A 129 -8.197 20.842 60.694 1.00 0.00 ATOM 1036 CE1 PHE A 129 -9.617 22.983 59.695 1.00 0.00 ATOM 1037 CE2 PHE A 129 -8.480 21.922 61.507 1.00 0.00 ATOM 1038 CZ PHE A 129 -9.192 22.994 61.006 1.00 0.00 ATOM 1039 O PHE A 129 -5.964 17.466 58.100 1.00 0.00 ATOM 1040 C PHE A 129 -6.626 18.231 57.392 1.00 0.00 ATOM 1041 N SER A 130 -7.226 17.869 56.264 1.00 0.00 ATOM 1042 CA SER A 130 -7.103 16.511 55.702 1.00 0.00 ATOM 1043 CB SER A 130 -7.912 16.398 54.425 1.00 0.00 ATOM 1044 OG SER A 130 -7.781 15.138 53.828 1.00 0.00 ATOM 1045 O SER A 130 -4.832 16.746 54.785 1.00 0.00 ATOM 1046 C SER A 130 -5.649 16.077 55.410 1.00 0.00 ATOM 1047 N LEU A 131 -5.325 14.879 55.875 1.00 0.00 ATOM 1048 CA LEU A 131 -4.017 14.272 55.558 1.00 0.00 ATOM 1049 CB LEU A 131 -3.195 14.036 56.828 1.00 0.00 ATOM 1050 CG LEU A 131 -1.803 13.410 56.573 1.00 0.00 ATOM 1051 CD1 LEU A 131 -0.871 14.366 55.832 1.00 0.00 ATOM 1052 CD2 LEU A 131 -1.159 12.970 57.883 1.00 0.00 ATOM 1053 O LEU A 131 -3.913 12.980 53.517 1.00 0.00 ATOM 1054 C LEU A 131 -4.205 13.006 54.714 1.00 0.00 ATOM 1055 N MET A 132 -4.904 12.034 55.295 1.00 0.00 ATOM 1056 CA MET A 132 -5.170 10.740 54.634 1.00 0.00 ATOM 1057 CB MET A 132 -3.880 9.905 54.710 1.00 0.00 ATOM 1058 CG MET A 132 -3.984 8.520 54.053 1.00 0.00 ATOM 1059 SD MET A 132 -4.258 8.633 52.252 1.00 0.00 ATOM 1060 CE MET A 132 -2.615 9.093 51.766 1.00 0.00 ATOM 1061 O MET A 132 -6.599 10.175 56.500 1.00 0.00 ATOM 1062 C MET A 132 -6.375 10.044 55.300 1.00 0.00 ATOM 1063 N THR A 133 -7.247 9.463 54.487 1.00 0.00 ATOM 1064 CA THR A 133 -8.432 8.782 55.039 1.00 0.00 ATOM 1065 CB THR A 133 -9.539 8.626 53.980 1.00 0.00 ATOM 1066 CG2 THR A 133 -10.741 7.903 54.567 1.00 0.00 ATOM 1067 OG1 THR A 133 -9.944 9.918 53.513 1.00 0.00 ATOM 1068 O THR A 133 -8.440 7.051 56.680 1.00 0.00 ATOM 1069 C THR A 133 -8.046 7.408 55.585 1.00 0.00 ATOM 1070 N ASP A 134 -7.344 6.642 54.765 1.00 0.00 ATOM 1071 CA ASP A 134 -6.916 5.300 55.183 1.00 0.00 ATOM 1072 CB ASP A 134 -6.976 4.326 54.002 1.00 0.00 ATOM 1073 CG ASP A 134 -6.586 2.895 54.347 1.00 0.00 ATOM 1074 OD1 ASP A 134 -6.172 2.663 55.457 1.00 0.00 ATOM 1075 OD2 ASP A 134 -6.852 2.022 53.556 1.00 0.00 ATOM 1076 O ASP A 134 -4.561 5.608 54.996 1.00 0.00 ATOM 1077 C ASP A 134 -5.501 5.371 55.763 1.00 0.00 ATOM 1078 N PRO A 135 -5.334 5.246 57.089 1.00 0.00 ATOM 1079 CA PRO A 135 -4.003 5.333 57.722 1.00 0.00 ATOM 1080 CB PRO A 135 -4.266 5.150 59.217 1.00 0.00 ATOM 1081 CG PRO A 135 -5.695 5.682 59.359 1.00 0.00 ATOM 1082 CD PRO A 135 -6.384 5.141 58.112 1.00 0.00 ATOM 1083 O PRO A 135 -1.806 4.609 57.166 1.00 0.00 ATOM 1084 C PRO A 135 -2.992 4.308 57.192 1.00 0.00 ATOM 1085 N LYS A 136 -3.470 3.183 56.665 1.00 0.00 ATOM 1086 CA LYS A 136 -2.591 2.175 56.008 1.00 0.00 ATOM 1087 CB LYS A 136 -3.392 0.956 55.548 1.00 0.00 ATOM 1088 CG LYS A 136 -3.901 0.163 56.753 1.00 0.00 ATOM 1089 CD LYS A 136 -4.708 -1.036 56.268 1.00 0.00 ATOM 1090 CE LYS A 136 -5.214 -1.873 57.443 1.00 0.00 ATOM 1091 NZ LYS A 136 -5.992 -3.027 56.983 1.00 0.00 ATOM 1092 O LYS A 136 -0.754 2.197 54.438 1.00 0.00 ATOM 1093 C LYS A 136 -1.809 2.722 54.801 1.00 0.00 ATOM 1094 N LEU A 137 -2.346 3.770 54.180 1.00 0.00 ATOM 1095 CA LEU A 137 -1.668 4.432 53.056 1.00 0.00 ATOM 1096 CB LEU A 137 -2.666 5.260 52.241 1.00 0.00 ATOM 1097 CG LEU A 137 -3.763 4.425 51.571 1.00 0.00 ATOM 1098 CD1 LEU A 137 -4.736 5.351 50.844 1.00 0.00 ATOM 1099 CD2 LEU A 137 -3.179 3.430 50.574 1.00 0.00 ATOM 1100 O LEU A 137 0.448 5.499 52.602 1.00 0.00 ATOM 1101 C LEU A 137 -0.420 5.253 53.439 1.00 0.00 ATOM 1102 N ILE A 138 -0.382 5.718 54.690 1.00 0.00 ATOM 1103 CA ILE A 138 0.784 6.420 55.260 1.00 0.00 ATOM 1104 CB ILE A 138 0.424 7.226 56.523 1.00 0.00 ATOM 1105 CG1 ILE A 138 -0.657 8.274 56.197 1.00 0.00 ATOM 1106 CG2 ILE A 138 1.673 7.909 57.093 1.00 0.00 ATOM 1107 CD1 ILE A 138 -1.229 8.973 57.432 1.00 0.00 ATOM 1108 O ILE A 138 1.894 4.740 56.606 1.00 0.00 ATOM 1109 C ILE A 138 1.894 5.405 55.571 1.00 0.00 ATOM 1110 N ILE A 139 2.855 5.367 54.665 1.00 0.00 ATOM 1111 CA ILE A 139 3.905 4.345 54.691 1.00 0.00 ATOM 1112 CB ILE A 139 3.905 3.503 53.401 1.00 0.00 ATOM 1113 CG1 ILE A 139 4.191 4.388 52.185 1.00 0.00 ATOM 1114 CG2 ILE A 139 2.578 2.780 53.238 1.00 0.00 ATOM 1115 CD1 ILE A 139 4.450 3.614 50.914 1.00 0.00 ATOM 1116 O ILE A 139 6.239 4.110 55.017 1.00 0.00 ATOM 1117 C ILE A 139 5.317 4.892 54.875 1.00 0.00 ATOM 1118 N TRP A 140 5.493 6.178 54.631 1.00 0.00 ATOM 1119 CA TRP A 140 6.794 6.851 54.739 1.00 0.00 ATOM 1120 CB TRP A 140 6.783 8.104 53.851 1.00 0.00 ATOM 1121 CG TRP A 140 5.686 9.083 54.263 1.00 0.00 ATOM 1122 CD1 TRP A 140 5.800 10.063 55.152 1.00 0.00 ATOM 1123 CD2 TRP A 140 4.392 9.105 53.784 1.00 0.00 ATOM 1124 CE2 TRP A 140 3.772 10.169 54.411 1.00 0.00 ATOM 1125 CE3 TRP A 140 3.696 8.295 52.897 1.00 0.00 ATOM 1126 NE1 TRP A 140 4.655 10.728 55.239 1.00 0.00 ATOM 1127 CZ2 TRP A 140 2.444 10.452 54.144 1.00 0.00 ATOM 1128 CZ3 TRP A 140 2.354 8.565 52.642 1.00 0.00 ATOM 1129 CH2 TRP A 140 1.735 9.654 53.263 1.00 0.00 ATOM 1130 O TRP A 140 6.274 7.109 57.090 1.00 0.00 ATOM 1131 C TRP A 140 7.121 7.200 56.194 1.00 0.00 ATOM 1132 N SER A 141 8.357 7.639 56.383 1.00 0.00 ATOM 1133 CA SER A 141 8.857 8.025 57.709 1.00 0.00 ATOM 1134 CB SER A 141 9.217 6.790 58.510 1.00 0.00 ATOM 1135 OG SER A 141 9.745 7.113 59.769 1.00 0.00 ATOM 1136 O SER A 141 10.921 8.837 56.764 1.00 0.00 ATOM 1137 C SER A 141 10.072 8.963 57.651 1.00 0.00 ATOM 1138 N PRO A 142 10.058 9.965 58.543 1.00 0.00 ATOM 1139 CA PRO A 142 8.958 10.253 59.485 1.00 0.00 ATOM 1140 CB PRO A 142 9.573 11.213 60.512 1.00 0.00 ATOM 1141 CG PRO A 142 10.651 11.954 59.719 1.00 0.00 ATOM 1142 CD PRO A 142 11.172 10.901 58.749 1.00 0.00 ATOM 1143 O PRO A 142 7.877 11.358 57.632 1.00 0.00 ATOM 1144 C PRO A 142 7.773 10.894 58.761 1.00 0.00 ATOM 1145 N VAL A 143 6.651 10.852 59.438 1.00 0.00 ATOM 1146 CA VAL A 143 5.409 11.552 59.053 1.00 0.00 ATOM 1147 CB VAL A 143 4.189 10.704 59.497 1.00 0.00 ATOM 1148 CG1 VAL A 143 2.849 11.341 59.099 1.00 0.00 ATOM 1149 CG2 VAL A 143 4.269 9.288 58.922 1.00 0.00 ATOM 1150 O VAL A 143 5.871 13.169 60.858 1.00 0.00 ATOM 1151 C VAL A 143 5.420 12.935 59.724 1.00 0.00 ATOM 1152 N ARG A 144 5.050 13.911 58.932 1.00 0.00 ATOM 1153 CA ARG A 144 4.968 15.319 59.375 1.00 0.00 ATOM 1154 CB ARG A 144 6.119 16.157 58.840 1.00 0.00 ATOM 1155 CG ARG A 144 7.495 15.746 59.339 1.00 0.00 ATOM 1156 CD ARG A 144 8.616 16.532 58.762 1.00 0.00 ATOM 1157 NE ARG A 144 9.931 16.158 59.255 1.00 0.00 ATOM 1158 CZ ARG A 144 11.089 16.714 58.847 1.00 0.00 ATOM 1159 NH1 ARG A 144 11.102 17.638 57.912 1.00 0.00 ATOM 1160 NH2 ARG A 144 12.214 16.287 59.394 1.00 0.00 ATOM 1161 O ARG A 144 2.930 15.504 58.077 1.00 0.00 ATOM 1162 C ARG A 144 3.622 15.909 59.011 1.00 0.00 ATOM 1163 N ARG A 145 3.253 16.907 59.810 1.00 0.00 ATOM 1164 CA ARG A 145 2.005 17.644 59.588 1.00 0.00 ATOM 1165 CB ARG A 145 1.731 18.588 60.749 1.00 0.00 ATOM 1166 CG ARG A 145 1.327 17.806 62.005 1.00 0.00 ATOM 1167 CD ARG A 145 1.179 18.795 63.152 1.00 0.00 ATOM 1168 NE ARG A 145 0.761 18.156 64.395 1.00 0.00 ATOM 1169 CZ ARG A 145 0.681 18.786 65.556 1.00 0.00 ATOM 1170 NH1 ARG A 145 0.912 20.084 65.708 1.00 0.00 ATOM 1171 NH2 ARG A 145 0.444 18.094 66.648 1.00 0.00 ATOM 1172 O ARG A 145 0.852 18.483 57.628 1.00 0.00 ATOM 1173 C ARG A 145 1.912 18.362 58.228 1.00 0.00 ATOM 1174 N SER A 146 3.064 18.760 57.712 1.00 0.00 ATOM 1175 CA SER A 146 3.145 19.457 56.416 1.00 0.00 ATOM 1176 CB SER A 146 4.274 20.470 56.438 1.00 0.00 ATOM 1177 OG SER A 146 5.525 19.858 56.594 1.00 0.00 ATOM 1178 O SER A 146 3.447 19.011 54.038 1.00 0.00 ATOM 1179 C SER A 146 3.341 18.565 55.178 1.00 0.00 ATOM 1180 N ASP A 147 3.247 17.273 55.425 1.00 0.00 ATOM 1181 CA ASP A 147 3.497 16.266 54.389 1.00 0.00 ATOM 1182 CB ASP A 147 3.384 14.855 54.973 1.00 0.00 ATOM 1183 CG ASP A 147 4.630 14.377 55.705 1.00 0.00 ATOM 1184 OD1 ASP A 147 5.583 15.116 55.765 1.00 0.00 ATOM 1185 OD2 ASP A 147 4.567 13.344 56.329 1.00 0.00 ATOM 1186 O ASP A 147 1.377 16.826 53.354 1.00 0.00 ATOM 1187 C ASP A 147 2.534 16.420 53.213 1.00 0.00 ATOM 1188 N VAL A 148 3.085 16.210 52.022 1.00 0.00 ATOM 1189 CA VAL A 148 2.260 16.071 50.801 1.00 0.00 ATOM 1190 CB VAL A 148 3.166 15.771 49.597 1.00 0.00 ATOM 1191 CG1 VAL A 148 2.311 15.409 48.383 1.00 0.00 ATOM 1192 CG2 VAL A 148 4.130 16.908 49.268 1.00 0.00 ATOM 1193 O VAL A 148 1.699 13.834 51.498 1.00 0.00 ATOM 1194 C VAL A 148 1.284 14.907 51.077 1.00 0.00 ATOM 1195 N ALA A 149 0.008 15.141 50.790 1.00 0.00 ATOM 1196 CA ALA A 149 -1.040 14.139 51.095 1.00 0.00 ATOM 1197 CB ALA A 149 -2.330 14.888 51.455 1.00 0.00 ATOM 1198 O ALA A 149 -1.725 11.964 50.293 1.00 0.00 ATOM 1199 C ALA A 149 -1.307 13.091 50.005 1.00 0.00 ATOM 1200 N TRP A 150 -1.147 13.507 48.753 1.00 0.00 ATOM 1201 CA TRP A 150 -1.349 12.660 47.556 1.00 0.00 ATOM 1202 CB TRP A 150 -2.846 12.568 47.215 1.00 0.00 ATOM 1203 CG TRP A 150 -3.212 11.351 46.351 1.00 0.00 ATOM 1204 CD1 TRP A 150 -3.256 11.294 45.026 1.00 0.00 ATOM 1205 CD2 TRP A 150 -3.554 10.095 46.822 1.00 0.00 ATOM 1206 CE2 TRP A 150 -3.781 9.308 45.697 1.00 0.00 ATOM 1207 CE3 TRP A 150 -3.691 9.546 48.092 1.00 0.00 ATOM 1208 NE1 TRP A 150 -3.589 10.067 44.626 1.00 0.00 ATOM 1209 CZ2 TRP A 150 -4.149 7.980 45.837 1.00 0.00 ATOM 1210 CZ3 TRP A 150 -4.069 8.210 48.227 1.00 0.00 ATOM 1211 CH2 TRP A 150 -4.298 7.437 47.105 1.00 0.00 ATOM 1212 O TRP A 150 -0.179 14.407 46.337 1.00 0.00 ATOM 1213 C TRP A 150 -0.586 13.240 46.354 1.00 0.00 ATOM 1214 N ASN A 151 -0.561 12.422 45.313 1.00 0.00 ATOM 1215 CA ASN A 151 -0.003 12.718 43.988 1.00 0.00 ATOM 1216 CB ASN A 151 0.097 11.467 43.134 1.00 0.00 ATOM 1217 CG ASN A 151 0.968 10.397 43.731 1.00 0.00 ATOM 1218 ND2 ASN A 151 0.382 9.247 43.950 1.00 0.00 ATOM 1219 OD1 ASN A 151 2.176 10.585 43.920 1.00 0.00 ATOM 1220 O ASN A 151 -0.395 14.488 42.379 1.00 0.00 ATOM 1221 C ASN A 151 -0.847 13.805 43.260 1.00 0.00 ATOM 1222 N PHE A 152 -2.028 14.152 43.735 1.00 0.00 ATOM 1223 CA PHE A 152 -2.907 15.104 43.012 1.00 0.00 ATOM 1224 CB PHE A 152 -4.309 14.523 42.889 1.00 0.00 ATOM 1225 CG PHE A 152 -4.304 13.303 41.971 1.00 0.00 ATOM 1226 CD1 PHE A 152 -5.089 12.233 42.335 1.00 0.00 ATOM 1227 CD2 PHE A 152 -3.569 13.270 40.797 1.00 0.00 ATOM 1228 CE1 PHE A 152 -5.170 11.121 41.514 1.00 0.00 ATOM 1229 CE2 PHE A 152 -3.623 12.147 39.978 1.00 0.00 ATOM 1230 CZ PHE A 152 -4.429 11.080 40.344 1.00 0.00 ATOM 1231 O PHE A 152 -3.732 17.366 42.932 1.00 0.00 ATOM 1232 C PHE A 152 -2.961 16.570 43.459 1.00 0.00 ATOM 1233 N GLU A 153 -2.368 16.855 44.595 1.00 0.00 ATOM 1234 CA GLU A 153 -2.264 18.249 45.082 1.00 0.00 ATOM 1235 CB GLU A 153 -1.757 18.277 46.520 1.00 0.00 ATOM 1236 CG GLU A 153 -2.641 17.473 47.455 1.00 0.00 ATOM 1237 CD GLU A 153 -2.366 17.785 48.919 1.00 0.00 ATOM 1238 OE1 GLU A 153 -1.179 17.667 49.299 1.00 0.00 ATOM 1239 OE2 GLU A 153 -3.346 18.109 49.617 1.00 0.00 ATOM 1240 O GLU A 153 -0.609 18.553 43.373 1.00 0.00 ATOM 1241 C GLU A 153 -1.322 19.089 44.213 1.00 0.00 ATOM 1242 N LYS A 154 -1.342 20.408 44.425 1.00 0.00 ATOM 1243 CA LYS A 154 -0.549 21.348 43.593 1.00 0.00 ATOM 1244 CB LYS A 154 -1.443 22.020 42.549 1.00 0.00 ATOM 1245 CG LYS A 154 -2.181 21.053 41.634 1.00 0.00 ATOM 1246 CD LYS A 154 -3.121 21.791 40.692 1.00 0.00 ATOM 1247 CE LYS A 154 -4.325 22.349 41.436 1.00 0.00 ATOM 1248 NZ LYS A 154 -5.208 21.271 41.956 1.00 0.00 ATOM 1249 O LYS A 154 -0.304 23.014 45.332 1.00 0.00 ATOM 1250 C LYS A 154 0.192 22.458 44.340 1.00 0.00 ATOM 1251 N PHE A 155 1.307 22.830 43.736 1.00 0.00 ATOM 1252 CA PHE A 155 2.136 23.983 44.152 1.00 0.00 ATOM 1253 CB PHE A 155 3.485 23.504 44.691 1.00 0.00 ATOM 1254 CG PHE A 155 3.372 22.482 45.786 1.00 0.00 ATOM 1255 CD1 PHE A 155 3.102 21.155 45.492 1.00 0.00 ATOM 1256 CD2 PHE A 155 3.535 22.847 47.114 1.00 0.00 ATOM 1257 CE1 PHE A 155 2.999 20.213 46.498 1.00 0.00 ATOM 1258 CE2 PHE A 155 3.432 21.909 48.123 1.00 0.00 ATOM 1259 CZ PHE A 155 3.165 20.591 47.814 1.00 0.00 ATOM 1260 O PHE A 155 2.742 24.534 41.885 1.00 0.00 ATOM 1261 C PHE A 155 2.329 24.937 42.976 1.00 0.00 ATOM 1262 N LEU A 156 1.934 26.175 43.218 1.00 0.00 ATOM 1263 CA LEU A 156 2.063 27.268 42.248 1.00 0.00 ATOM 1264 CB LEU A 156 0.771 28.095 42.206 1.00 0.00 ATOM 1265 CG LEU A 156 0.725 29.178 41.122 1.00 0.00 ATOM 1266 CD1 LEU A 156 0.922 28.553 39.749 1.00 0.00 ATOM 1267 CD2 LEU A 156 -0.605 29.913 41.194 1.00 0.00 ATOM 1268 O LEU A 156 3.349 28.682 43.715 1.00 0.00 ATOM 1269 C LEU A 156 3.265 28.144 42.611 1.00 0.00 ATOM 1270 N ILE A 157 4.188 28.217 41.667 1.00 0.00 ATOM 1271 CA ILE A 157 5.441 28.984 41.840 1.00 0.00 ATOM 1272 CB ILE A 157 6.688 28.088 41.693 1.00 0.00 ATOM 1273 CG1 ILE A 157 6.647 26.977 42.761 1.00 0.00 ATOM 1274 CG2 ILE A 157 7.988 28.904 41.821 1.00 0.00 ATOM 1275 CD1 ILE A 157 7.740 25.917 42.632 1.00 0.00 ATOM 1276 O ILE A 157 5.245 29.949 39.629 1.00 0.00 ATOM 1277 C ILE A 157 5.468 30.139 40.828 1.00 0.00 ATOM 1278 N GLY A 158 5.877 31.285 41.364 1.00 0.00 ATOM 1279 CA GLY A 158 6.095 32.522 40.602 1.00 0.00 ATOM 1280 O GLY A 158 8.184 31.576 39.814 1.00 0.00 ATOM 1281 C GLY A 158 7.308 32.431 39.646 1.00 0.00 ATOM 1282 N PRO A 159 7.422 33.364 38.686 1.00 0.00 ATOM 1283 CA PRO A 159 8.545 33.461 37.732 1.00 0.00 ATOM 1284 CB PRO A 159 8.259 34.707 36.903 1.00 0.00 ATOM 1285 CG PRO A 159 6.772 34.965 37.053 1.00 0.00 ATOM 1286 CD PRO A 159 6.418 34.414 38.421 1.00 0.00 ATOM 1287 O PRO A 159 10.928 33.309 37.779 1.00 0.00 ATOM 1288 C PRO A 159 9.918 33.631 38.397 1.00 0.00 ATOM 1289 N GLU A 160 9.944 34.118 39.633 1.00 0.00 ATOM 1290 CA GLU A 160 11.196 34.304 40.406 1.00 0.00 ATOM 1291 CB GLU A 160 11.085 35.526 41.320 1.00 0.00 ATOM 1292 CG GLU A 160 10.987 36.855 40.586 1.00 0.00 ATOM 1293 CD GLU A 160 10.838 38.001 41.547 1.00 0.00 ATOM 1294 OE1 GLU A 160 10.809 37.759 42.730 1.00 0.00 ATOM 1295 OE2 GLU A 160 10.866 39.127 41.108 1.00 0.00 ATOM 1296 O GLU A 160 12.600 33.117 41.983 1.00 0.00 ATOM 1297 C GLU A 160 11.607 33.093 41.264 1.00 0.00 ATOM 1298 N GLY A 161 10.839 32.010 41.188 1.00 0.00 ATOM 1299 CA GLY A 161 11.137 30.766 41.927 1.00 0.00 ATOM 1300 O GLY A 161 10.827 29.781 44.104 1.00 0.00 ATOM 1301 C GLY A 161 10.571 30.726 43.352 1.00 0.00 ATOM 1302 N GLU A 162 9.789 31.736 43.707 1.00 0.00 ATOM 1303 CA GLU A 162 9.104 31.782 45.001 1.00 0.00 ATOM 1304 CB GLU A 162 8.871 33.232 45.433 1.00 0.00 ATOM 1305 CG GLU A 162 8.201 33.385 46.791 1.00 0.00 ATOM 1306 CD GLU A 162 8.001 34.832 47.142 1.00 0.00 ATOM 1307 OE1 GLU A 162 8.359 35.670 46.350 1.00 0.00 ATOM 1308 OE2 GLU A 162 7.389 35.099 48.150 1.00 0.00 ATOM 1309 O GLU A 162 6.943 31.262 44.052 1.00 0.00 ATOM 1310 C GLU A 162 7.774 31.021 44.924 1.00 0.00 ATOM 1311 N PRO A 163 7.598 30.049 45.836 1.00 0.00 ATOM 1312 CA PRO A 163 6.323 29.341 45.975 1.00 0.00 ATOM 1313 CB PRO A 163 6.591 28.228 46.984 1.00 0.00 ATOM 1314 CG PRO A 163 7.826 28.692 47.754 1.00 0.00 ATOM 1315 CD PRO A 163 8.601 29.593 46.815 1.00 0.00 ATOM 1316 O PRO A 163 5.485 31.062 47.414 1.00 0.00 ATOM 1317 C PRO A 163 5.265 30.344 46.451 1.00 0.00 ATOM 1318 N PHE A 164 4.153 30.365 45.719 1.00 0.00 ATOM 1319 CA PHE A 164 3.063 31.340 45.934 1.00 0.00 ATOM 1320 CB PHE A 164 2.671 31.949 44.575 1.00 0.00 ATOM 1321 CG PHE A 164 1.506 32.937 44.693 1.00 0.00 ATOM 1322 CD1 PHE A 164 1.725 34.220 45.156 1.00 0.00 ATOM 1323 CD2 PHE A 164 0.210 32.547 44.351 1.00 0.00 ATOM 1324 CE1 PHE A 164 0.670 35.106 45.307 1.00 0.00 ATOM 1325 CE2 PHE A 164 -0.851 33.429 44.480 1.00 0.00 ATOM 1326 CZ PHE A 164 -0.627 34.716 44.965 1.00 0.00 ATOM 1327 O PHE A 164 1.321 31.210 47.642 1.00 0.00 ATOM 1328 C PHE A 164 1.828 30.736 46.626 1.00 0.00 ATOM 1329 N ARG A 165 1.389 29.590 46.157 1.00 0.00 ATOM 1330 CA ARG A 165 0.173 28.997 46.727 1.00 0.00 ATOM 1331 CB ARG A 165 -1.093 29.600 46.135 1.00 0.00 ATOM 1332 CG ARG A 165 -2.332 29.468 47.005 1.00 0.00 ATOM 1333 CD ARG A 165 -2.288 30.263 48.258 1.00 0.00 ATOM 1334 NE ARG A 165 -2.111 31.693 48.059 1.00 0.00 ATOM 1335 CZ ARG A 165 -3.105 32.553 47.762 1.00 0.00 ATOM 1336 NH1 ARG A 165 -4.338 32.131 47.595 1.00 0.00 ATOM 1337 NH2 ARG A 165 -2.802 33.832 47.623 1.00 0.00 ATOM 1338 O ARG A 165 0.849 26.912 45.752 1.00 0.00 ATOM 1339 C ARG A 165 0.163 27.482 46.601 1.00 0.00 ATOM 1340 N ARG A 166 -0.486 26.873 47.581 1.00 0.00 ATOM 1341 CA ARG A 166 -0.687 25.419 47.588 1.00 0.00 ATOM 1342 CB ARG A 166 0.042 24.745 48.742 1.00 0.00 ATOM 1343 CG ARG A 166 -0.311 23.281 48.951 1.00 0.00 ATOM 1344 CD ARG A 166 0.474 22.609 50.018 1.00 0.00 ATOM 1345 NE ARG A 166 0.117 21.218 50.244 1.00 0.00 ATOM 1346 CZ ARG A 166 0.757 20.391 51.096 1.00 0.00 ATOM 1347 NH1 ARG A 166 1.807 20.799 51.774 1.00 0.00 ATOM 1348 NH2 ARG A 166 0.315 19.152 51.213 1.00 0.00 ATOM 1349 O ARG A 166 -2.930 25.726 48.368 1.00 0.00 ATOM 1350 C ARG A 166 -2.181 25.140 47.584 1.00 0.00 ATOM 1351 N TYR A 167 -2.505 24.096 46.849 1.00 0.00 ATOM 1352 CA TYR A 167 -3.896 23.653 46.687 1.00 0.00 ATOM 1353 CB TYR A 167 -4.368 23.840 45.249 1.00 0.00 ATOM 1354 CG TYR A 167 -4.201 25.293 44.822 1.00 0.00 ATOM 1355 CD1 TYR A 167 -5.189 26.230 45.099 1.00 0.00 ATOM 1356 CD2 TYR A 167 -3.006 25.679 44.234 1.00 0.00 ATOM 1357 CE1 TYR A 167 -4.976 27.557 44.783 1.00 0.00 ATOM 1358 CE2 TYR A 167 -2.796 27.013 43.913 1.00 0.00 ATOM 1359 CZ TYR A 167 -3.782 27.943 44.195 1.00 0.00 ATOM 1360 OH TYR A 167 -3.492 29.263 44.109 1.00 0.00 ATOM 1361 O TYR A 167 -3.232 21.377 46.476 1.00 0.00 ATOM 1362 C TYR A 167 -4.002 22.175 47.021 1.00 0.00 ATOM 1363 N SER A 168 -5.099 21.872 47.697 1.00 0.00 ATOM 1364 CA SER A 168 -5.368 20.520 48.202 1.00 0.00 ATOM 1365 CB SER A 168 -6.510 20.553 49.199 1.00 0.00 ATOM 1366 OG SER A 168 -7.731 20.871 48.590 1.00 0.00 ATOM 1367 O SER A 168 -6.031 19.877 45.966 1.00 0.00 ATOM 1368 C SER A 168 -5.691 19.523 47.096 1.00 0.00 ATOM 1369 N ARG A 169 -5.777 18.275 47.547 1.00 0.00 ATOM 1370 CA ARG A 169 -6.179 17.115 46.721 1.00 0.00 ATOM 1371 CB ARG A 169 -6.240 15.828 47.530 1.00 0.00 ATOM 1372 CG ARG A 169 -6.611 14.588 46.732 1.00 0.00 ATOM 1373 CD ARG A 169 -6.553 13.322 47.506 1.00 0.00 ATOM 1374 NE ARG A 169 -7.034 12.153 46.788 1.00 0.00 ATOM 1375 CZ ARG A 169 -7.117 10.913 47.310 1.00 0.00 ATOM 1376 NH1 ARG A 169 -6.717 10.668 48.537 1.00 0.00 ATOM 1377 NH2 ARG A 169 -7.589 9.944 46.545 1.00 0.00 ATOM 1378 O ARG A 169 -7.748 16.623 44.974 1.00 0.00 ATOM 1379 C ARG A 169 -7.500 17.319 45.962 1.00 0.00 ATOM 1380 N THR A 170 -8.395 18.043 46.618 1.00 0.00 ATOM 1381 CA THR A 170 -9.785 18.241 46.148 1.00 0.00 ATOM 1382 CB THR A 170 -10.740 18.436 47.313 1.00 0.00 ATOM 1383 CG2 THR A 170 -10.672 17.212 48.197 1.00 0.00 ATOM 1384 OG1 THR A 170 -10.358 19.595 48.054 1.00 0.00 ATOM 1385 O THR A 170 -11.094 19.650 44.732 1.00 0.00 ATOM 1386 C THR A 170 -10.002 19.453 45.270 1.00 0.00 ATOM 1387 N PHE A 171 -9.015 20.336 45.299 1.00 0.00 ATOM 1388 CA PHE A 171 -9.079 21.586 44.532 1.00 0.00 ATOM 1389 CB PHE A 171 -8.133 22.599 45.182 1.00 0.00 ATOM 1390 CG PHE A 171 -8.299 23.937 44.454 1.00 0.00 ATOM 1391 CD1 PHE A 171 -9.376 24.753 44.758 1.00 0.00 ATOM 1392 CD2 PHE A 171 -7.375 24.338 43.509 1.00 0.00 ATOM 1393 CE1 PHE A 171 -9.524 25.989 44.141 1.00 0.00 ATOM 1394 CE2 PHE A 171 -7.549 25.576 42.917 1.00 0.00 ATOM 1395 CZ PHE A 171 -8.587 26.409 43.216 1.00 0.00 ATOM 1396 O PHE A 171 -7.533 20.937 42.860 1.00 0.00 ATOM 1397 C PHE A 171 -8.689 21.289 43.080 1.00 0.00 ATOM 1398 N PRO A 172 -9.611 21.278 42.118 1.00 0.00 ATOM 1399 CA PRO A 172 -9.316 20.925 40.720 1.00 0.00 ATOM 1400 CB PRO A 172 -10.598 21.257 39.962 1.00 0.00 ATOM 1401 CG PRO A 172 -11.664 20.930 41.001 1.00 0.00 ATOM 1402 CD PRO A 172 -11.060 21.479 42.291 1.00 0.00 ATOM 1403 O PRO A 172 -8.060 22.946 40.400 1.00 0.00 ATOM 1404 C PRO A 172 -8.163 21.753 40.139 1.00 0.00 ATOM 1405 N THR A 173 -7.344 21.085 39.330 1.00 0.00 ATOM 1406 CA THR A 173 -6.265 21.758 38.574 1.00 0.00 ATOM 1407 CB THR A 173 -5.525 20.791 37.632 1.00 0.00 ATOM 1408 CG2 THR A 173 -4.421 21.479 36.836 1.00 0.00 ATOM 1409 OG1 THR A 173 -4.904 19.802 38.436 1.00 0.00 ATOM 1410 O THR A 173 -6.228 24.018 37.827 1.00 0.00 ATOM 1411 C THR A 173 -6.796 22.940 37.752 1.00 0.00 ATOM 1412 N ILE A 174 -7.934 22.759 37.111 1.00 0.00 ATOM 1413 CA ILE A 174 -8.477 23.834 36.257 1.00 0.00 ATOM 1414 CB ILE A 174 -9.633 23.345 35.381 1.00 0.00 ATOM 1415 CG1 ILE A 174 -9.810 24.359 34.243 1.00 0.00 ATOM 1416 CG2 ILE A 174 -10.925 23.155 36.192 1.00 0.00 ATOM 1417 CD1 ILE A 174 -10.687 23.841 33.108 1.00 0.00 ATOM 1418 O ILE A 174 -8.636 26.207 36.595 1.00 0.00 ATOM 1419 C ILE A 174 -8.848 25.092 37.055 1.00 0.00 ATOM 1420 N ASN A 175 -9.272 24.904 38.292 1.00 0.00 ATOM 1421 CA ASN A 175 -9.691 26.033 39.154 1.00 0.00 ATOM 1422 CB ASN A 175 -10.386 25.543 40.411 1.00 0.00 ATOM 1423 CG ASN A 175 -11.767 25.002 40.168 1.00 0.00 ATOM 1424 ND2 ASN A 175 -12.271 24.284 41.140 1.00 0.00 ATOM 1425 OD1 ASN A 175 -12.398 25.290 39.145 1.00 0.00 ATOM 1426 O ASN A 175 -8.881 28.024 40.171 1.00 0.00 ATOM 1427 C ASN A 175 -8.589 26.990 39.584 1.00 0.00 ATOM 1428 N ILE A 176 -7.336 26.554 39.436 1.00 0.00 ATOM 1429 CA ILE A 176 -6.160 27.414 39.715 1.00 0.00 ATOM 1430 CB ILE A 176 -4.880 26.578 39.893 1.00 0.00 ATOM 1431 CG1 ILE A 176 -3.847 27.354 40.717 1.00 0.00 ATOM 1432 CG2 ILE A 176 -4.304 26.192 38.539 1.00 0.00 ATOM 1433 CD1 ILE A 176 -2.587 26.569 41.010 1.00 0.00 ATOM 1434 O ILE A 176 -4.948 29.254 38.747 1.00 0.00 ATOM 1435 C ILE A 176 -5.888 28.463 38.619 1.00 0.00 ATOM 1436 N GLU A 177 -6.477 28.255 37.438 1.00 0.00 ATOM 1437 CA GLU A 177 -6.183 29.092 36.258 1.00 0.00 ATOM 1438 CB GLU A 177 -7.116 28.731 35.100 1.00 0.00 ATOM 1439 CG GLU A 177 -7.028 29.670 33.906 1.00 0.00 ATOM 1440 CD GLU A 177 -7.932 29.223 32.792 1.00 0.00 ATOM 1441 OE1 GLU A 177 -8.576 28.212 32.942 1.00 0.00 ATOM 1442 OE2 GLU A 177 -8.069 29.951 31.836 1.00 0.00 ATOM 1443 O GLU A 177 -5.392 31.332 36.060 1.00 0.00 ATOM 1444 C GLU A 177 -6.285 30.608 36.500 1.00 0.00 ATOM 1445 N PRO A 178 -7.335 31.107 37.183 1.00 0.00 ATOM 1446 CA PRO A 178 -7.460 32.547 37.447 1.00 0.00 ATOM 1447 CB PRO A 178 -8.698 32.638 38.305 1.00 0.00 ATOM 1448 CG PRO A 178 -9.579 31.492 37.842 1.00 0.00 ATOM 1449 CD PRO A 178 -8.538 30.396 37.661 1.00 0.00 ATOM 1450 O PRO A 178 -5.672 34.115 37.801 1.00 0.00 ATOM 1451 C PRO A 178 -6.243 33.104 38.215 1.00 0.00 ATOM 1452 N ASP A 179 -5.808 32.349 39.213 1.00 0.00 ATOM 1453 CA ASP A 179 -4.630 32.699 40.037 1.00 0.00 ATOM 1454 CB ASP A 179 -4.487 31.760 41.238 1.00 0.00 ATOM 1455 CG ASP A 179 -5.520 31.995 42.346 1.00 0.00 ATOM 1456 OD1 ASP A 179 -6.113 33.094 42.357 1.00 0.00 ATOM 1457 OD2 ASP A 179 -5.652 31.125 43.216 1.00 0.00 ATOM 1458 O ASP A 179 -2.508 33.610 39.359 1.00 0.00 ATOM 1459 C ASP A 179 -3.315 32.691 39.244 1.00 0.00 ATOM 1460 N ILE A 180 -3.191 31.715 38.341 1.00 0.00 ATOM 1461 CA ILE A 180 -1.996 31.607 37.475 1.00 0.00 ATOM 1462 CB ILE A 180 -2.031 30.328 36.618 1.00 0.00 ATOM 1463 CG1 ILE A 180 -1.787 29.094 37.490 1.00 0.00 ATOM 1464 CG2 ILE A 180 -1.002 30.409 35.501 1.00 0.00 ATOM 1465 CD1 ILE A 180 -1.920 27.786 36.745 1.00 0.00 ATOM 1466 O ILE A 180 -0.825 33.438 36.445 1.00 0.00 ATOM 1467 C ILE A 180 -1.886 32.832 36.562 1.00 0.00 ATOM 1468 N LYS A 181 -2.954 33.040 35.801 1.00 0.00 ATOM 1469 CA LYS A 181 -3.028 34.135 34.824 1.00 0.00 ATOM 1470 CB LYS A 181 -4.425 34.206 34.204 1.00 0.00 ATOM 1471 CG LYS A 181 -4.590 35.293 33.149 1.00 0.00 ATOM 1472 CD LYS A 181 -5.979 35.254 32.529 1.00 0.00 ATOM 1473 CE LYS A 181 -6.158 36.363 31.501 1.00 0.00 ATOM 1474 NZ LYS A 181 -7.509 36.335 30.883 1.00 0.00 ATOM 1475 O LYS A 181 -1.949 36.272 34.869 1.00 0.00 ATOM 1476 C LYS A 181 -2.668 35.474 35.475 1.00 0.00 ATOM 1477 N ARG A 182 -3.198 35.701 36.675 1.00 0.00 ATOM 1478 CA ARG A 182 -2.920 36.938 37.440 1.00 0.00 ATOM 1479 CB ARG A 182 -3.670 36.983 38.768 1.00 0.00 ATOM 1480 CG ARG A 182 -5.144 37.230 38.526 1.00 0.00 ATOM 1481 CD ARG A 182 -5.951 37.230 39.810 1.00 0.00 ATOM 1482 NE ARG A 182 -7.384 37.485 39.567 1.00 0.00 ATOM 1483 CZ ARG A 182 -8.301 37.496 40.536 1.00 0.00 ATOM 1484 NH1 ARG A 182 -7.985 37.215 41.778 1.00 0.00 ATOM 1485 NH2 ARG A 182 -9.582 37.718 40.256 1.00 0.00 ATOM 1486 O ARG A 182 -0.900 38.209 37.524 1.00 0.00 ATOM 1487 C ARG A 182 -1.427 37.122 37.726 1.00 0.00 ATOM 1488 N LEU A 183 -0.758 36.021 38.092 1.00 0.00 ATOM 1489 CA LEU A 183 0.693 36.017 38.322 1.00 0.00 ATOM 1490 CB LEU A 183 1.121 34.705 38.995 1.00 0.00 ATOM 1491 CG LEU A 183 0.652 34.534 40.446 1.00 0.00 ATOM 1492 CD1 LEU A 183 0.974 33.128 40.935 1.00 0.00 ATOM 1493 CD2 LEU A 183 1.326 35.578 41.324 1.00 0.00 ATOM 1494 O LEU A 183 2.464 36.956 36.991 1.00 0.00 ATOM 1495 C LEU A 183 1.493 36.217 37.030 1.00 0.00 ATOM 1496 N LEU A 184 1.099 35.483 36.005 1.00 0.00 ATOM 1497 CA LEU A 184 1.731 35.610 34.680 1.00 0.00 ATOM 1498 CB LEU A 184 1.066 34.655 33.681 1.00 0.00 ATOM 1499 CG LEU A 184 1.341 33.165 33.920 1.00 0.00 ATOM 1500 CD1 LEU A 184 0.487 32.320 32.983 1.00 0.00 ATOM 1501 CD2 LEU A 184 2.820 32.881 33.704 1.00 0.00 ATOM 1502 O LEU A 184 2.664 37.498 33.595 1.00 0.00 ATOM 1503 C LEU A 184 1.668 37.042 34.154 1.00 0.00 ATOM 1504 N LYS A 185 0.510 37.684 34.337 1.00 0.00 ATOM 1505 CA LYS A 185 0.316 39.106 33.987 1.00 0.00 ATOM 1506 CB LYS A 185 -1.135 39.479 34.324 1.00 0.00 ATOM 1507 CG LYS A 185 -1.538 40.853 33.793 1.00 0.00 ATOM 1508 CD LYS A 185 -2.994 41.172 34.131 1.00 0.00 ATOM 1509 CE LYS A 185 -3.294 42.609 33.751 1.00 0.00 ATOM 1510 NZ LYS A 185 -4.690 42.898 34.076 1.00 0.00 ATOM 1511 O LYS A 185 2.125 39.511 35.537 1.00 0.00 ATOM 1512 C LYS A 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 ; scwrl -i /var/tmp/to_scwrl_1070914919.pdb -s /var/tmp/to_scwrl_1070914919.seq -o /var/tmp/from_scwrl_1070914919.pdb > /var/tmp/scwrl_1070914919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070914919.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:# 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 ; scwrl -i /var/tmp/to_scwrl_1679896505.pdb -s /var/tmp/to_scwrl_1679896505.seq -o /var/tmp/from_scwrl_1679896505.pdb > /var/tmp/scwrl_1679896505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1679896505.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:# 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 ; scwrl -i /var/tmp/to_scwrl_1657753396.pdb -s /var/tmp/to_scwrl_1657753396.seq -o /var/tmp/from_scwrl_1657753396.pdb > /var/tmp/scwrl_1657753396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1657753396.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:# 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 ; scwrl -i /var/tmp/to_scwrl_724790545.pdb -s /var/tmp/to_scwrl_724790545.seq -o /var/tmp/from_scwrl_724790545.pdb > /var/tmp/scwrl_724790545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_724790545.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:# 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 ; scwrl -i /var/tmp/to_scwrl_23491791.pdb -s /var/tmp/to_scwrl_23491791.seq -o /var/tmp/from_scwrl_23491791.pdb > /var/tmp/scwrl_23491791.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_23491791.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:# 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: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:# 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:# 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: 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: 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: 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 # Found a chain break before 57 # copying to AlignedFragments data structure # 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 152 # 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 152 # 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 151 # 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 151 # 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 # Found a chain break before 57 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0345.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # 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 ; scwrl -i /var/tmp/to_scwrl_269922060.pdb -s /var/tmp/to_scwrl_269922060.seq -o /var/tmp/from_scwrl_269922060.pdb > /var/tmp/scwrl_269922060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_269922060.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 ; scwrl -i /var/tmp/to_scwrl_452308948.pdb -s /var/tmp/to_scwrl_452308948.seq -o /var/tmp/from_scwrl_452308948.pdb > /var/tmp/scwrl_452308948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_452308948.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 ; scwrl -i /var/tmp/to_scwrl_2133231106.pdb -s /var/tmp/to_scwrl_2133231106.seq -o /var/tmp/from_scwrl_2133231106.pdb > /var/tmp/scwrl_2133231106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2133231106.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 ; scwrl -i /var/tmp/to_scwrl_1343857975.pdb -s /var/tmp/to_scwrl_1343857975.seq -o /var/tmp/from_scwrl_1343857975.pdb > /var/tmp/scwrl_1343857975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1343857975.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 ; scwrl -i /var/tmp/to_scwrl_904280440.pdb -s /var/tmp/to_scwrl_904280440.seq -o /var/tmp/from_scwrl_904280440.pdb > /var/tmp/scwrl_904280440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_904280440.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 ; scwrl -i /var/tmp/to_scwrl_806988866.pdb -s /var/tmp/to_scwrl_806988866.seq -o /var/tmp/from_scwrl_806988866.pdb > /var/tmp/scwrl_806988866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_806988866.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 ; scwrl -i /var/tmp/to_scwrl_1601292179.pdb -s /var/tmp/to_scwrl_1601292179.seq -o /var/tmp/from_scwrl_1601292179.pdb > /var/tmp/scwrl_1601292179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1601292179.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 159 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_503551067.pdb -s /var/tmp/to_scwrl_503551067.seq -o /var/tmp/from_scwrl_503551067.pdb > /var/tmp/scwrl_503551067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503551067.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 152 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1700721518.pdb -s /var/tmp/to_scwrl_1700721518.seq -o /var/tmp/from_scwrl_1700721518.pdb > /var/tmp/scwrl_1700721518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1700721518.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 152 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_679797998.pdb -s /var/tmp/to_scwrl_679797998.seq -o /var/tmp/from_scwrl_679797998.pdb > /var/tmp/scwrl_679797998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_679797998.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 145 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_259339398.pdb -s /var/tmp/to_scwrl_259339398.seq -o /var/tmp/from_scwrl_259339398.pdb > /var/tmp/scwrl_259339398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_259339398.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 152 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1533345833.pdb -s /var/tmp/to_scwrl_1533345833.seq -o /var/tmp/from_scwrl_1533345833.pdb > /var/tmp/scwrl_1533345833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1533345833.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 ; scwrl -i /var/tmp/to_scwrl_1678250328.pdb -s /var/tmp/to_scwrl_1678250328.seq -o /var/tmp/from_scwrl_1678250328.pdb > /var/tmp/scwrl_1678250328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678250328.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 ; scwrl -i /var/tmp/to_scwrl_44247373.pdb -s /var/tmp/to_scwrl_44247373.seq -o /var/tmp/from_scwrl_44247373.pdb > /var/tmp/scwrl_44247373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_44247373.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 169 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_53716912.pdb -s /var/tmp/to_scwrl_53716912.seq -o /var/tmp/from_scwrl_53716912.pdb > /var/tmp/scwrl_53716912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_53716912.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 182 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1734221530.pdb -s /var/tmp/to_scwrl_1734221530.seq -o /var/tmp/from_scwrl_1734221530.pdb > /var/tmp/scwrl_1734221530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734221530.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 ; scwrl -i /var/tmp/to_scwrl_1516031018.pdb -s /var/tmp/to_scwrl_1516031018.seq -o /var/tmp/from_scwrl_1516031018.pdb > /var/tmp/scwrl_1516031018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1516031018.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 184 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_23542206.pdb -s /var/tmp/to_scwrl_23542206.seq -o /var/tmp/from_scwrl_23542206.pdb > /var/tmp/scwrl_23542206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_23542206.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 159 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_592046429.pdb -s /var/tmp/to_scwrl_592046429.seq -o /var/tmp/from_scwrl_592046429.pdb > /var/tmp/scwrl_592046429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_592046429.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 159 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1423834356.pdb -s /var/tmp/to_scwrl_1423834356.seq -o /var/tmp/from_scwrl_1423834356.pdb > /var/tmp/scwrl_1423834356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423834356.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 159 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_652728669.pdb -s /var/tmp/to_scwrl_652728669.seq -o /var/tmp/from_scwrl_652728669.pdb > /var/tmp/scwrl_652728669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_652728669.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 174 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1592691245.pdb -s /var/tmp/to_scwrl_1592691245.seq -o /var/tmp/from_scwrl_1592691245.pdb > /var/tmp/scwrl_1592691245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592691245.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 ; scwrl -i /var/tmp/to_scwrl_227512159.pdb -s /var/tmp/to_scwrl_227512159.seq -o /var/tmp/from_scwrl_227512159.pdb > /var/tmp/scwrl_227512159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227512159.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 ; scwrl -i /var/tmp/to_scwrl_77544056.pdb -s /var/tmp/to_scwrl_77544056.seq -o /var/tmp/from_scwrl_77544056.pdb > /var/tmp/scwrl_77544056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_77544056.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 ; scwrl -i /var/tmp/to_scwrl_2005897370.pdb -s /var/tmp/to_scwrl_2005897370.seq -o /var/tmp/from_scwrl_2005897370.pdb > /var/tmp/scwrl_2005897370.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005897370.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 ; scwrl -i /var/tmp/to_scwrl_788751382.pdb -s /var/tmp/to_scwrl_788751382.seq -o /var/tmp/from_scwrl_788751382.pdb > /var/tmp/scwrl_788751382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_788751382.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 178 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1148458974.pdb -s /var/tmp/to_scwrl_1148458974.seq -o /var/tmp/from_scwrl_1148458974.pdb > /var/tmp/scwrl_1148458974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148458974.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 ; scwrl -i /var/tmp/to_scwrl_1538310228.pdb -s /var/tmp/to_scwrl_1538310228.seq -o /var/tmp/from_scwrl_1538310228.pdb > /var/tmp/scwrl_1538310228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538310228.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 ; scwrl -i /var/tmp/to_scwrl_299021131.pdb -s /var/tmp/to_scwrl_299021131.seq -o /var/tmp/from_scwrl_299021131.pdb > /var/tmp/scwrl_299021131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_299021131.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 ; scwrl -i /var/tmp/to_scwrl_1873249519.pdb -s /var/tmp/to_scwrl_1873249519.seq -o /var/tmp/from_scwrl_1873249519.pdb > /var/tmp/scwrl_1873249519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1873249519.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 ; scwrl -i /var/tmp/to_scwrl_1561802019.pdb -s /var/tmp/to_scwrl_1561802019.seq -o /var/tmp/from_scwrl_1561802019.pdb > /var/tmp/scwrl_1561802019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1561802019.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 ; scwrl -i /var/tmp/to_scwrl_568943191.pdb -s /var/tmp/to_scwrl_568943191.seq -o /var/tmp/from_scwrl_568943191.pdb > /var/tmp/scwrl_568943191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_568943191.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 ; scwrl -i /var/tmp/to_scwrl_178074820.pdb -s /var/tmp/to_scwrl_178074820.seq -o /var/tmp/from_scwrl_178074820.pdb > /var/tmp/scwrl_178074820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_178074820.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 ; scwrl -i /var/tmp/to_scwrl_1547549478.pdb -s /var/tmp/to_scwrl_1547549478.seq -o /var/tmp/from_scwrl_1547549478.pdb > /var/tmp/scwrl_1547549478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1547549478.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 ; scwrl -i /var/tmp/to_scwrl_1912801166.pdb -s /var/tmp/to_scwrl_1912801166.seq -o /var/tmp/from_scwrl_1912801166.pdb > /var/tmp/scwrl_1912801166.log Error: can't open any of /var/tmp/from_scwrl_1912801166.pdb or /var/tmp/from_scwrl_1912801166_b.pdb or /var/tmp/from_scwrl_1912801166_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 ; scwrl -i /var/tmp/to_scwrl_1082355260.pdb -s /var/tmp/to_scwrl_1082355260.seq -o /var/tmp/from_scwrl_1082355260.pdb > /var/tmp/scwrl_1082355260.log Error: can't open any of /var/tmp/from_scwrl_1082355260.pdb or /var/tmp/from_scwrl_1082355260_b.pdb or /var/tmp/from_scwrl_1082355260_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 ; scwrl -i /var/tmp/to_scwrl_207054697.pdb -s /var/tmp/to_scwrl_207054697.seq -o /var/tmp/from_scwrl_207054697.pdb > /var/tmp/scwrl_207054697.log Error: can't open any of /var/tmp/from_scwrl_207054697.pdb or /var/tmp/from_scwrl_207054697_b.pdb or /var/tmp/from_scwrl_207054697_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 ; scwrl -i /var/tmp/to_scwrl_1366609698.pdb -s /var/tmp/to_scwrl_1366609698.seq -o /var/tmp/from_scwrl_1366609698.pdb > /var/tmp/scwrl_1366609698.log Error: can't open any of /var/tmp/from_scwrl_1366609698.pdb or /var/tmp/from_scwrl_1366609698_b.pdb or /var/tmp/from_scwrl_1366609698_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 ; scwrl -i /var/tmp/to_scwrl_1585906327.pdb -s /var/tmp/to_scwrl_1585906327.seq -o /var/tmp/from_scwrl_1585906327.pdb > /var/tmp/scwrl_1585906327.log Error: can't open any of /var/tmp/from_scwrl_1585906327.pdb or /var/tmp/from_scwrl_1585906327_b.pdb or /var/tmp/from_scwrl_1585906327_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 172 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1907776215.pdb -s /var/tmp/to_scwrl_1907776215.seq -o /var/tmp/from_scwrl_1907776215.pdb > /var/tmp/scwrl_1907776215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907776215.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 ; scwrl -i /var/tmp/to_scwrl_2046407696.pdb -s /var/tmp/to_scwrl_2046407696.seq -o /var/tmp/from_scwrl_2046407696.pdb > /var/tmp/scwrl_2046407696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2046407696.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 ; scwrl -i /var/tmp/to_scwrl_1845245725.pdb -s /var/tmp/to_scwrl_1845245725.seq -o /var/tmp/from_scwrl_1845245725.pdb > /var/tmp/scwrl_1845245725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1845245725.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 ; scwrl -i /var/tmp/to_scwrl_1293638401.pdb -s /var/tmp/to_scwrl_1293638401.seq -o /var/tmp/from_scwrl_1293638401.pdb > /var/tmp/scwrl_1293638401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1293638401.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 ; scwrl -i /var/tmp/to_scwrl_1577174378.pdb -s /var/tmp/to_scwrl_1577174378.seq -o /var/tmp/from_scwrl_1577174378.pdb > /var/tmp/scwrl_1577174378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1577174378.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 183 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1889493098.pdb -s /var/tmp/to_scwrl_1889493098.seq -o /var/tmp/from_scwrl_1889493098.pdb > /var/tmp/scwrl_1889493098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1889493098.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 ; scwrl -i /var/tmp/to_scwrl_1347355313.pdb -s /var/tmp/to_scwrl_1347355313.seq -o /var/tmp/from_scwrl_1347355313.pdb > /var/tmp/scwrl_1347355313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1347355313.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 ; scwrl -i /var/tmp/to_scwrl_1163912261.pdb -s /var/tmp/to_scwrl_1163912261.seq -o /var/tmp/from_scwrl_1163912261.pdb > /var/tmp/scwrl_1163912261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1163912261.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 183 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1258040469.pdb -s /var/tmp/to_scwrl_1258040469.seq -o /var/tmp/from_scwrl_1258040469.pdb > /var/tmp/scwrl_1258040469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1258040469.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 ; scwrl -i /var/tmp/to_scwrl_1370897520.pdb -s /var/tmp/to_scwrl_1370897520.seq -o /var/tmp/from_scwrl_1370897520.pdb > /var/tmp/scwrl_1370897520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1370897520.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 159 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1755958690.pdb -s /var/tmp/to_scwrl_1755958690.seq -o /var/tmp/from_scwrl_1755958690.pdb > /var/tmp/scwrl_1755958690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1755958690.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 152 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_534391180.pdb -s /var/tmp/to_scwrl_534391180.seq -o /var/tmp/from_scwrl_534391180.pdb > /var/tmp/scwrl_534391180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_534391180.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 152 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_2023626189.pdb -s /var/tmp/to_scwrl_2023626189.seq -o /var/tmp/from_scwrl_2023626189.pdb > /var/tmp/scwrl_2023626189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2023626189.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 144 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1201166288.pdb -s /var/tmp/to_scwrl_1201166288.seq -o /var/tmp/from_scwrl_1201166288.pdb > /var/tmp/scwrl_1201166288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201166288.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 152 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_761903339.pdb -s /var/tmp/to_scwrl_761903339.seq -o /var/tmp/from_scwrl_761903339.pdb > /var/tmp/scwrl_761903339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761903339.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 ; scwrl -i /var/tmp/to_scwrl_2101170245.pdb -s /var/tmp/to_scwrl_2101170245.seq -o /var/tmp/from_scwrl_2101170245.pdb > /var/tmp/scwrl_2101170245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2101170245.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 ; scwrl -i /var/tmp/to_scwrl_1059580012.pdb -s /var/tmp/to_scwrl_1059580012.seq -o /var/tmp/from_scwrl_1059580012.pdb > /var/tmp/scwrl_1059580012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1059580012.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 ; scwrl -i /var/tmp/to_scwrl_1550654720.pdb -s /var/tmp/to_scwrl_1550654720.seq -o /var/tmp/from_scwrl_1550654720.pdb > /var/tmp/scwrl_1550654720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1550654720.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 ; scwrl -i /var/tmp/to_scwrl_1102145573.pdb -s /var/tmp/to_scwrl_1102145573.seq -o /var/tmp/from_scwrl_1102145573.pdb > /var/tmp/scwrl_1102145573.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1102145573.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 ; scwrl -i /var/tmp/to_scwrl_450406593.pdb -s /var/tmp/to_scwrl_450406593.seq -o /var/tmp/from_scwrl_450406593.pdb > /var/tmp/scwrl_450406593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_450406593.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 ; scwrl -i /var/tmp/to_scwrl_1849675852.pdb -s /var/tmp/to_scwrl_1849675852.seq -o /var/tmp/from_scwrl_1849675852.pdb > /var/tmp/scwrl_1849675852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849675852.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 ; scwrl -i /var/tmp/to_scwrl_827911446.pdb -s /var/tmp/to_scwrl_827911446.seq -o /var/tmp/from_scwrl_827911446.pdb > /var/tmp/scwrl_827911446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_827911446.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 ; scwrl -i /var/tmp/to_scwrl_2012208612.pdb -s /var/tmp/to_scwrl_2012208612.seq -o /var/tmp/from_scwrl_2012208612.pdb > /var/tmp/scwrl_2012208612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2012208612.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 ; scwrl -i /var/tmp/to_scwrl_271135396.pdb -s /var/tmp/to_scwrl_271135396.seq -o /var/tmp/from_scwrl_271135396.pdb > /var/tmp/scwrl_271135396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_271135396.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 ; scwrl -i /var/tmp/to_scwrl_1005986267.pdb -s /var/tmp/to_scwrl_1005986267.seq -o /var/tmp/from_scwrl_1005986267.pdb > /var/tmp/scwrl_1005986267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1005986267.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 ; scwrl -i /var/tmp/to_scwrl_1412274443.pdb -s /var/tmp/to_scwrl_1412274443.seq -o /var/tmp/from_scwrl_1412274443.pdb > /var/tmp/scwrl_1412274443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1412274443.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 ; scwrl -i /var/tmp/to_scwrl_36452916.pdb -s /var/tmp/to_scwrl_36452916.seq -o /var/tmp/from_scwrl_36452916.pdb > /var/tmp/scwrl_36452916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_36452916.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 170 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_2088341527.pdb -s /var/tmp/to_scwrl_2088341527.seq -o /var/tmp/from_scwrl_2088341527.pdb > /var/tmp/scwrl_2088341527.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2088341527.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 170 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1619329140.pdb -s /var/tmp/to_scwrl_1619329140.seq -o /var/tmp/from_scwrl_1619329140.pdb > /var/tmp/scwrl_1619329140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619329140.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 ; scwrl -i /var/tmp/to_scwrl_1403062614.pdb -s /var/tmp/to_scwrl_1403062614.seq -o /var/tmp/from_scwrl_1403062614.pdb > /var/tmp/scwrl_1403062614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403062614.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 ; scwrl -i /var/tmp/to_scwrl_1526764207.pdb -s /var/tmp/to_scwrl_1526764207.seq -o /var/tmp/from_scwrl_1526764207.pdb > /var/tmp/scwrl_1526764207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1526764207.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 ; scwrl -i /var/tmp/to_scwrl_1379621709.pdb -s /var/tmp/to_scwrl_1379621709.seq -o /var/tmp/from_scwrl_1379621709.pdb > /var/tmp/scwrl_1379621709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379621709.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 ; scwrl -i /var/tmp/to_scwrl_1301986664.pdb -s /var/tmp/to_scwrl_1301986664.seq -o /var/tmp/from_scwrl_1301986664.pdb > /var/tmp/scwrl_1301986664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1301986664.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 172 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1224526285.pdb -s /var/tmp/to_scwrl_1224526285.seq -o /var/tmp/from_scwrl_1224526285.pdb > /var/tmp/scwrl_1224526285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1224526285.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 ; scwrl -i /var/tmp/to_scwrl_525776464.pdb -s /var/tmp/to_scwrl_525776464.seq -o /var/tmp/from_scwrl_525776464.pdb > /var/tmp/scwrl_525776464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_525776464.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 ; scwrl -i /var/tmp/to_scwrl_731677396.pdb -s /var/tmp/to_scwrl_731677396.seq -o /var/tmp/from_scwrl_731677396.pdb > /var/tmp/scwrl_731677396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_731677396.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL1-scwrl # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_966535737.pdb -s /var/tmp/to_scwrl_966535737.seq -o /var/tmp/from_scwrl_966535737.pdb > /var/tmp/scwrl_966535737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_966535737.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 ; scwrl -i /var/tmp/to_scwrl_1873131778.pdb -s /var/tmp/to_scwrl_1873131778.seq -o /var/tmp/from_scwrl_1873131778.pdb > /var/tmp/scwrl_1873131778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1873131778.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 ; scwrl -i /var/tmp/to_scwrl_1895589657.pdb -s /var/tmp/to_scwrl_1895589657.seq -o /var/tmp/from_scwrl_1895589657.pdb > /var/tmp/scwrl_1895589657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1895589657.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 ; scwrl -i /var/tmp/to_scwrl_77092560.pdb -s /var/tmp/to_scwrl_77092560.seq -o /var/tmp/from_scwrl_77092560.pdb > /var/tmp/scwrl_77092560.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_77092560.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 180 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1096545651.pdb -s /var/tmp/to_scwrl_1096545651.seq -o /var/tmp/from_scwrl_1096545651.pdb > /var/tmp/scwrl_1096545651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1096545651.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 183 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1504064700.pdb -s /var/tmp/to_scwrl_1504064700.seq -o /var/tmp/from_scwrl_1504064700.pdb > /var/tmp/scwrl_1504064700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504064700.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 183 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_611483740.pdb -s /var/tmp/to_scwrl_611483740.seq -o /var/tmp/from_scwrl_611483740.pdb > /var/tmp/scwrl_611483740.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611483740.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 ; scwrl -i /var/tmp/to_scwrl_972688194.pdb -s /var/tmp/to_scwrl_972688194.seq -o /var/tmp/from_scwrl_972688194.pdb > /var/tmp/scwrl_972688194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_972688194.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 184 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_557747342.pdb -s /var/tmp/to_scwrl_557747342.seq -o /var/tmp/from_scwrl_557747342.pdb > /var/tmp/scwrl_557747342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_557747342.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 159 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1373387078.pdb -s /var/tmp/to_scwrl_1373387078.seq -o /var/tmp/from_scwrl_1373387078.pdb > /var/tmp/scwrl_1373387078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1373387078.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 159 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_926374792.pdb -s /var/tmp/to_scwrl_926374792.seq -o /var/tmp/from_scwrl_926374792.pdb > /var/tmp/scwrl_926374792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926374792.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 ; scwrl -i /var/tmp/to_scwrl_1617327353.pdb -s /var/tmp/to_scwrl_1617327353.seq -o /var/tmp/from_scwrl_1617327353.pdb > /var/tmp/scwrl_1617327353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1617327353.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 152 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_776558152.pdb -s /var/tmp/to_scwrl_776558152.seq -o /var/tmp/from_scwrl_776558152.pdb > /var/tmp/scwrl_776558152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_776558152.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 ; scwrl -i /var/tmp/to_scwrl_2028520365.pdb -s /var/tmp/to_scwrl_2028520365.seq -o /var/tmp/from_scwrl_2028520365.pdb > /var/tmp/scwrl_2028520365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2028520365.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 152 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_2067733946.pdb -s /var/tmp/to_scwrl_2067733946.seq -o /var/tmp/from_scwrl_2067733946.pdb > /var/tmp/scwrl_2067733946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2067733946.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 ; scwrl -i /var/tmp/to_scwrl_478750357.pdb -s /var/tmp/to_scwrl_478750357.seq -o /var/tmp/from_scwrl_478750357.pdb > /var/tmp/scwrl_478750357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478750357.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 159 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_708948165.pdb -s /var/tmp/to_scwrl_708948165.seq -o /var/tmp/from_scwrl_708948165.pdb > /var/tmp/scwrl_708948165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_708948165.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 ; scwrl -i /var/tmp/to_scwrl_1932458911.pdb -s /var/tmp/to_scwrl_1932458911.seq -o /var/tmp/from_scwrl_1932458911.pdb > /var/tmp/scwrl_1932458911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932458911.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 ; scwrl -i /var/tmp/to_scwrl_749885754.pdb -s /var/tmp/to_scwrl_749885754.seq -o /var/tmp/from_scwrl_749885754.pdb > /var/tmp/scwrl_749885754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_749885754.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 ; scwrl -i /var/tmp/to_scwrl_1714934431.pdb -s /var/tmp/to_scwrl_1714934431.seq -o /var/tmp/from_scwrl_1714934431.pdb > /var/tmp/scwrl_1714934431.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1714934431.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 ; scwrl -i /var/tmp/to_scwrl_1197249707.pdb -s /var/tmp/to_scwrl_1197249707.seq -o /var/tmp/from_scwrl_1197249707.pdb > /var/tmp/scwrl_1197249707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1197249707.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 ; scwrl -i /var/tmp/to_scwrl_786338670.pdb -s /var/tmp/to_scwrl_786338670.seq -o /var/tmp/from_scwrl_786338670.pdb > /var/tmp/scwrl_786338670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_786338670.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 ; scwrl -i /var/tmp/to_scwrl_1655792311.pdb -s /var/tmp/to_scwrl_1655792311.seq -o /var/tmp/from_scwrl_1655792311.pdb > /var/tmp/scwrl_1655792311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1655792311.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 ; scwrl -i /var/tmp/to_scwrl_669095201.pdb -s /var/tmp/to_scwrl_669095201.seq -o /var/tmp/from_scwrl_669095201.pdb > /var/tmp/scwrl_669095201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669095201.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 ; scwrl -i /var/tmp/to_scwrl_41917637.pdb -s /var/tmp/to_scwrl_41917637.seq -o /var/tmp/from_scwrl_41917637.pdb > /var/tmp/scwrl_41917637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_41917637.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 ; scwrl -i /var/tmp/to_scwrl_1035072872.pdb -s /var/tmp/to_scwrl_1035072872.seq -o /var/tmp/from_scwrl_1035072872.pdb > /var/tmp/scwrl_1035072872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1035072872.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 ; scwrl -i /var/tmp/to_scwrl_2048716910.pdb -s /var/tmp/to_scwrl_2048716910.seq -o /var/tmp/from_scwrl_2048716910.pdb > /var/tmp/scwrl_2048716910.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048716910.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 152 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1343904301.pdb -s /var/tmp/to_scwrl_1343904301.seq -o /var/tmp/from_scwrl_1343904301.pdb > /var/tmp/scwrl_1343904301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1343904301.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 159 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_112115510.pdb -s /var/tmp/to_scwrl_112115510.seq -o /var/tmp/from_scwrl_112115510.pdb > /var/tmp/scwrl_112115510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_112115510.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 ; scwrl -i /var/tmp/to_scwrl_427009728.pdb -s /var/tmp/to_scwrl_427009728.seq -o /var/tmp/from_scwrl_427009728.pdb > /var/tmp/scwrl_427009728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_427009728.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 178 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_2075581697.pdb -s /var/tmp/to_scwrl_2075581697.seq -o /var/tmp/from_scwrl_2075581697.pdb > /var/tmp/scwrl_2075581697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2075581697.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 178 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1078651246.pdb -s /var/tmp/to_scwrl_1078651246.seq -o /var/tmp/from_scwrl_1078651246.pdb > /var/tmp/scwrl_1078651246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1078651246.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 152 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_152657859.pdb -s /var/tmp/to_scwrl_152657859.seq -o /var/tmp/from_scwrl_152657859.pdb > /var/tmp/scwrl_152657859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_152657859.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 159 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1823687707.pdb -s /var/tmp/to_scwrl_1823687707.seq -o /var/tmp/from_scwrl_1823687707.pdb > /var/tmp/scwrl_1823687707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1823687707.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 178 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1155743806.pdb -s /var/tmp/to_scwrl_1155743806.seq -o /var/tmp/from_scwrl_1155743806.pdb > /var/tmp/scwrl_1155743806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1155743806.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 104 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1249203510.pdb -s /var/tmp/to_scwrl_1249203510.seq -o /var/tmp/from_scwrl_1249203510.pdb > /var/tmp/scwrl_1249203510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1249203510.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 172 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1180268760.pdb -s /var/tmp/to_scwrl_1180268760.seq -o /var/tmp/from_scwrl_1180268760.pdb > /var/tmp/scwrl_1180268760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1180268760.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 175 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1767227546.pdb -s /var/tmp/to_scwrl_1767227546.seq -o /var/tmp/from_scwrl_1767227546.pdb > /var/tmp/scwrl_1767227546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767227546.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 ; scwrl -i /var/tmp/to_scwrl_74408057.pdb -s /var/tmp/to_scwrl_74408057.seq -o /var/tmp/from_scwrl_74408057.pdb > /var/tmp/scwrl_74408057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_74408057.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 184 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1738016102.pdb -s /var/tmp/to_scwrl_1738016102.seq -o /var/tmp/from_scwrl_1738016102.pdb > /var/tmp/scwrl_1738016102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1738016102.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 184 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_993130978.pdb -s /var/tmp/to_scwrl_993130978.seq -o /var/tmp/from_scwrl_993130978.pdb > /var/tmp/scwrl_993130978.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_993130978.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 173 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1000782849.pdb -s /var/tmp/to_scwrl_1000782849.seq -o /var/tmp/from_scwrl_1000782849.pdb > /var/tmp/scwrl_1000782849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1000782849.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 152 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1207859808.pdb -s /var/tmp/to_scwrl_1207859808.seq -o /var/tmp/from_scwrl_1207859808.pdb > /var/tmp/scwrl_1207859808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1207859808.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 ; scwrl -i /var/tmp/to_scwrl_1769689130.pdb -s /var/tmp/to_scwrl_1769689130.seq -o /var/tmp/from_scwrl_1769689130.pdb > /var/tmp/scwrl_1769689130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769689130.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 ; scwrl -i /var/tmp/to_scwrl_881819568.pdb -s /var/tmp/to_scwrl_881819568.seq -o /var/tmp/from_scwrl_881819568.pdb > /var/tmp/scwrl_881819568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_881819568.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 ; scwrl -i /var/tmp/to_scwrl_1128110107.pdb -s /var/tmp/to_scwrl_1128110107.seq -o /var/tmp/from_scwrl_1128110107.pdb > /var/tmp/scwrl_1128110107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128110107.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 ; scwrl -i /var/tmp/to_scwrl_100955840.pdb -s /var/tmp/to_scwrl_100955840.seq -o /var/tmp/from_scwrl_100955840.pdb > /var/tmp/scwrl_100955840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_100955840.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 ; scwrl -i /var/tmp/to_scwrl_1590767732.pdb -s /var/tmp/to_scwrl_1590767732.seq -o /var/tmp/from_scwrl_1590767732.pdb > /var/tmp/scwrl_1590767732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590767732.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 172 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_913085372.pdb -s /var/tmp/to_scwrl_913085372.seq -o /var/tmp/from_scwrl_913085372.pdb > /var/tmp/scwrl_913085372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_913085372.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 171 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_850841594.pdb -s /var/tmp/to_scwrl_850841594.seq -o /var/tmp/from_scwrl_850841594.pdb > /var/tmp/scwrl_850841594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_850841594.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 172 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1158218516.pdb -s /var/tmp/to_scwrl_1158218516.seq -o /var/tmp/from_scwrl_1158218516.pdb > /var/tmp/scwrl_1158218516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1158218516.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 ; scwrl -i /var/tmp/to_scwrl_2110335079.pdb -s /var/tmp/to_scwrl_2110335079.seq -o /var/tmp/from_scwrl_2110335079.pdb > /var/tmp/scwrl_2110335079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2110335079.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 158 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1637180263.pdb -s /var/tmp/to_scwrl_1637180263.seq -o /var/tmp/from_scwrl_1637180263.pdb > /var/tmp/scwrl_1637180263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1637180263.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 ; scwrl -i /var/tmp/to_scwrl_666527181.pdb -s /var/tmp/to_scwrl_666527181.seq -o /var/tmp/from_scwrl_666527181.pdb > /var/tmp/scwrl_666527181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_666527181.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 ; scwrl -i /var/tmp/to_scwrl_631946634.pdb -s /var/tmp/to_scwrl_631946634.seq -o /var/tmp/from_scwrl_631946634.pdb > /var/tmp/scwrl_631946634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_631946634.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 ; scwrl -i /var/tmp/to_scwrl_1679097901.pdb -s /var/tmp/to_scwrl_1679097901.seq -o /var/tmp/from_scwrl_1679097901.pdb > /var/tmp/scwrl_1679097901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1679097901.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 ; scwrl -i /var/tmp/to_scwrl_1701600052.pdb -s /var/tmp/to_scwrl_1701600052.seq -o /var/tmp/from_scwrl_1701600052.pdb > /var/tmp/scwrl_1701600052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1701600052.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 ; scwrl -i /var/tmp/to_scwrl_533179897.pdb -s /var/tmp/to_scwrl_533179897.seq -o /var/tmp/from_scwrl_533179897.pdb > /var/tmp/scwrl_533179897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_533179897.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 ; scwrl -i /var/tmp/to_scwrl_875518556.pdb -s /var/tmp/to_scwrl_875518556.seq -o /var/tmp/from_scwrl_875518556.pdb > /var/tmp/scwrl_875518556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875518556.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 ; scwrl -i /var/tmp/to_scwrl_1813715562.pdb -s /var/tmp/to_scwrl_1813715562.seq -o /var/tmp/from_scwrl_1813715562.pdb > /var/tmp/scwrl_1813715562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1813715562.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 ; scwrl -i /var/tmp/to_scwrl_960189625.pdb -s /var/tmp/to_scwrl_960189625.seq -o /var/tmp/from_scwrl_960189625.pdb > /var/tmp/scwrl_960189625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_960189625.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 ; scwrl -i /var/tmp/to_scwrl_803616607.pdb -s /var/tmp/to_scwrl_803616607.seq -o /var/tmp/from_scwrl_803616607.pdb > /var/tmp/scwrl_803616607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803616607.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 ; scwrl -i /var/tmp/to_scwrl_744883162.pdb -s /var/tmp/to_scwrl_744883162.seq -o /var/tmp/from_scwrl_744883162.pdb > /var/tmp/scwrl_744883162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_744883162.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 ; scwrl -i /var/tmp/to_scwrl_1112847483.pdb -s /var/tmp/to_scwrl_1112847483.seq -o /var/tmp/from_scwrl_1112847483.pdb > /var/tmp/scwrl_1112847483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1112847483.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 ; scwrl -i /var/tmp/to_scwrl_479820667.pdb -s /var/tmp/to_scwrl_479820667.seq -o /var/tmp/from_scwrl_479820667.pdb > /var/tmp/scwrl_479820667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_479820667.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 ; scwrl -i /var/tmp/to_scwrl_1900626969.pdb -s /var/tmp/to_scwrl_1900626969.seq -o /var/tmp/from_scwrl_1900626969.pdb > /var/tmp/scwrl_1900626969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1900626969.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 ; scwrl -i /var/tmp/to_scwrl_214567347.pdb -s /var/tmp/to_scwrl_214567347.seq -o /var/tmp/from_scwrl_214567347.pdb > /var/tmp/scwrl_214567347.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214567347.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 ; scwrl -i /var/tmp/to_scwrl_1660089428.pdb -s /var/tmp/to_scwrl_1660089428.seq -o /var/tmp/from_scwrl_1660089428.pdb > /var/tmp/scwrl_1660089428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1660089428.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 ; scwrl -i /var/tmp/to_scwrl_1520370868.pdb -s /var/tmp/to_scwrl_1520370868.seq -o /var/tmp/from_scwrl_1520370868.pdb > /var/tmp/scwrl_1520370868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1520370868.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 152 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_288975404.pdb -s /var/tmp/to_scwrl_288975404.seq -o /var/tmp/from_scwrl_288975404.pdb > /var/tmp/scwrl_288975404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_288975404.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 159 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1250621883.pdb -s /var/tmp/to_scwrl_1250621883.seq -o /var/tmp/from_scwrl_1250621883.pdb > /var/tmp/scwrl_1250621883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250621883.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 159 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_366018200.pdb -s /var/tmp/to_scwrl_366018200.seq -o /var/tmp/from_scwrl_366018200.pdb > /var/tmp/scwrl_366018200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366018200.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 159 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1289758253.pdb -s /var/tmp/to_scwrl_1289758253.seq -o /var/tmp/from_scwrl_1289758253.pdb > /var/tmp/scwrl_1289758253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1289758253.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 159 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_310998046.pdb -s /var/tmp/to_scwrl_310998046.seq -o /var/tmp/from_scwrl_310998046.pdb > /var/tmp/scwrl_310998046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_310998046.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 ; scwrl -i /var/tmp/to_scwrl_2135707330.pdb -s /var/tmp/to_scwrl_2135707330.seq -o /var/tmp/from_scwrl_2135707330.pdb > /var/tmp/scwrl_2135707330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2135707330.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 ; scwrl -i /var/tmp/to_scwrl_24094174.pdb -s /var/tmp/to_scwrl_24094174.seq -o /var/tmp/from_scwrl_24094174.pdb > /var/tmp/scwrl_24094174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_24094174.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 162 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1439108153.pdb -s /var/tmp/to_scwrl_1439108153.seq -o /var/tmp/from_scwrl_1439108153.pdb > /var/tmp/scwrl_1439108153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1439108153.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 162 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_89179523.pdb -s /var/tmp/to_scwrl_89179523.seq -o /var/tmp/from_scwrl_89179523.pdb > /var/tmp/scwrl_89179523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_89179523.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 171 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1614861906.pdb -s /var/tmp/to_scwrl_1614861906.seq -o /var/tmp/from_scwrl_1614861906.pdb > /var/tmp/scwrl_1614861906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1614861906.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 159 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_204709879.pdb -s /var/tmp/to_scwrl_204709879.seq -o /var/tmp/from_scwrl_204709879.pdb > /var/tmp/scwrl_204709879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_204709879.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 159 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_940021118.pdb -s /var/tmp/to_scwrl_940021118.seq -o /var/tmp/from_scwrl_940021118.pdb > /var/tmp/scwrl_940021118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_940021118.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 165 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_625596776.pdb -s /var/tmp/to_scwrl_625596776.seq -o /var/tmp/from_scwrl_625596776.pdb > /var/tmp/scwrl_625596776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_625596776.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 168 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_167561311.pdb -s /var/tmp/to_scwrl_167561311.seq -o /var/tmp/from_scwrl_167561311.pdb > /var/tmp/scwrl_167561311.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_167561311.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 ; scwrl -i /var/tmp/to_scwrl_429717734.pdb -s /var/tmp/to_scwrl_429717734.seq -o /var/tmp/from_scwrl_429717734.pdb > /var/tmp/scwrl_429717734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_429717734.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 ; scwrl -i /var/tmp/to_scwrl_1292123956.pdb -s /var/tmp/to_scwrl_1292123956.seq -o /var/tmp/from_scwrl_1292123956.pdb > /var/tmp/scwrl_1292123956.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1292123956.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 ; scwrl -i /var/tmp/to_scwrl_799507945.pdb -s /var/tmp/to_scwrl_799507945.seq -o /var/tmp/from_scwrl_799507945.pdb > /var/tmp/scwrl_799507945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_799507945.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 ; scwrl -i /var/tmp/to_scwrl_2108815635.pdb -s /var/tmp/to_scwrl_2108815635.seq -o /var/tmp/from_scwrl_2108815635.pdb > /var/tmp/scwrl_2108815635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2108815635.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 ; scwrl -i /var/tmp/to_scwrl_846240362.pdb -s /var/tmp/to_scwrl_846240362.seq -o /var/tmp/from_scwrl_846240362.pdb > /var/tmp/scwrl_846240362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_846240362.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 ; scwrl -i /var/tmp/to_scwrl_1332687842.pdb -s /var/tmp/to_scwrl_1332687842.seq -o /var/tmp/from_scwrl_1332687842.pdb > /var/tmp/scwrl_1332687842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1332687842.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 159 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_836850545.pdb -s /var/tmp/to_scwrl_836850545.seq -o /var/tmp/from_scwrl_836850545.pdb > /var/tmp/scwrl_836850545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_836850545.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 152 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_512472277.pdb -s /var/tmp/to_scwrl_512472277.seq -o /var/tmp/from_scwrl_512472277.pdb > /var/tmp/scwrl_512472277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_512472277.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 ; scwrl -i /var/tmp/to_scwrl_145393820.pdb -s /var/tmp/to_scwrl_145393820.seq -o /var/tmp/from_scwrl_145393820.pdb > /var/tmp/scwrl_145393820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_145393820.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 # 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 ; scwrl -i /var/tmp/to_scwrl_1640467151.pdb -s /var/tmp/to_scwrl_1640467151.seq -o /var/tmp/from_scwrl_1640467151.pdb > /var/tmp/scwrl_1640467151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640467151.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 ; scwrl -i /var/tmp/to_scwrl_1257355438.pdb -s /var/tmp/to_scwrl_1257355438.seq -o /var/tmp/from_scwrl_1257355438.pdb > /var/tmp/scwrl_1257355438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1257355438.pdb # conformation set from SCWRL output # naming current conformation SAM-T02_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1258241304.pdb -s /var/tmp/to_scwrl_1258241304.seq -o /var/tmp/from_scwrl_1258241304.pdb > /var/tmp/scwrl_1258241304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1258241304.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 ; scwrl -i /var/tmp/to_scwrl_2120287818.pdb -s /var/tmp/to_scwrl_2120287818.seq -o /var/tmp/from_scwrl_2120287818.pdb > /var/tmp/scwrl_2120287818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2120287818.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 ; scwrl -i /var/tmp/to_scwrl_1010498761.pdb -s /var/tmp/to_scwrl_1010498761.seq -o /var/tmp/from_scwrl_1010498761.pdb > /var/tmp/scwrl_1010498761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1010498761.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 ; scwrl -i /var/tmp/to_scwrl_1472808651.pdb -s /var/tmp/to_scwrl_1472808651.seq -o /var/tmp/from_scwrl_1472808651.pdb > /var/tmp/scwrl_1472808651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1472808651.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation 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 ; scwrl -i /var/tmp/to_scwrl_1632893599.pdb -s /var/tmp/to_scwrl_1632893599.seq -o /var/tmp/from_scwrl_1632893599.pdb > /var/tmp/scwrl_1632893599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1632893599.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 ; scwrl -i /var/tmp/to_scwrl_383385983.pdb -s /var/tmp/to_scwrl_383385983.seq -o /var/tmp/from_scwrl_383385983.pdb > /var/tmp/scwrl_383385983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_383385983.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1761784056.pdb -s /var/tmp/to_scwrl_1761784056.seq -o /var/tmp/from_scwrl_1761784056.pdb > /var/tmp/scwrl_1761784056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761784056.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL4-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_736031837.pdb -s /var/tmp/to_scwrl_736031837.seq -o /var/tmp/from_scwrl_736031837.pdb > /var/tmp/scwrl_736031837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736031837.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 ; scwrl -i /var/tmp/to_scwrl_749404183.pdb -s /var/tmp/to_scwrl_749404183.seq -o /var/tmp/from_scwrl_749404183.pdb > /var/tmp/scwrl_749404183.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_749404183.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 ; scwrl -i /var/tmp/to_scwrl_904058663.pdb -s /var/tmp/to_scwrl_904058663.seq -o /var/tmp/from_scwrl_904058663.pdb > /var/tmp/scwrl_904058663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_904058663.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 ; scwrl -i /var/tmp/to_scwrl_1047029883.pdb -s /var/tmp/to_scwrl_1047029883.seq -o /var/tmp/from_scwrl_1047029883.pdb > /var/tmp/scwrl_1047029883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1047029883.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 ; scwrl -i /var/tmp/to_scwrl_737627866.pdb -s /var/tmp/to_scwrl_737627866.seq -o /var/tmp/from_scwrl_737627866.pdb > /var/tmp/scwrl_737627866.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_737627866.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 ; scwrl -i /var/tmp/to_scwrl_928152837.pdb -s /var/tmp/to_scwrl_928152837.seq -o /var/tmp/from_scwrl_928152837.pdb > /var/tmp/scwrl_928152837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_928152837.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 159 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_338654389.pdb -s /var/tmp/to_scwrl_338654389.seq -o /var/tmp/from_scwrl_338654389.pdb > /var/tmp/scwrl_338654389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_338654389.pdb # conformation set from SCWRL output # naming current conformation SP3_TS1-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_826807389.pdb -s /var/tmp/to_scwrl_826807389.seq -o /var/tmp/from_scwrl_826807389.pdb > /var/tmp/scwrl_826807389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_826807389.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 ; scwrl -i /var/tmp/to_scwrl_395531096.pdb -s /var/tmp/to_scwrl_395531096.seq -o /var/tmp/from_scwrl_395531096.pdb > /var/tmp/scwrl_395531096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_395531096.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 172 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_543364268.pdb -s /var/tmp/to_scwrl_543364268.seq -o /var/tmp/from_scwrl_543364268.pdb > /var/tmp/scwrl_543364268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_543364268.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 ; scwrl -i /var/tmp/to_scwrl_1766828506.pdb -s /var/tmp/to_scwrl_1766828506.seq -o /var/tmp/from_scwrl_1766828506.pdb > /var/tmp/scwrl_1766828506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1766828506.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 152 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1021127872.pdb -s /var/tmp/to_scwrl_1021127872.seq -o /var/tmp/from_scwrl_1021127872.pdb > /var/tmp/scwrl_1021127872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1021127872.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 140 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_710925580.pdb -s /var/tmp/to_scwrl_710925580.seq -o /var/tmp/from_scwrl_710925580.pdb > /var/tmp/scwrl_710925580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710925580.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 ; scwrl -i /var/tmp/to_scwrl_49062594.pdb -s /var/tmp/to_scwrl_49062594.seq -o /var/tmp/from_scwrl_49062594.pdb > /var/tmp/scwrl_49062594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_49062594.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 ; scwrl -i /var/tmp/to_scwrl_165768181.pdb -s /var/tmp/to_scwrl_165768181.seq -o /var/tmp/from_scwrl_165768181.pdb > /var/tmp/scwrl_165768181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_165768181.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 ; scwrl -i /var/tmp/to_scwrl_1510433524.pdb -s /var/tmp/to_scwrl_1510433524.seq -o /var/tmp/from_scwrl_1510433524.pdb > /var/tmp/scwrl_1510433524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1510433524.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 152 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_10394582.pdb -s /var/tmp/to_scwrl_10394582.seq -o /var/tmp/from_scwrl_10394582.pdb > /var/tmp/scwrl_10394582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_10394582.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 124 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1012008543.pdb -s /var/tmp/to_scwrl_1012008543.seq -o /var/tmp/from_scwrl_1012008543.pdb > /var/tmp/scwrl_1012008543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012008543.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 ; scwrl -i /var/tmp/to_scwrl_695637720.pdb -s /var/tmp/to_scwrl_695637720.seq -o /var/tmp/from_scwrl_695637720.pdb > /var/tmp/scwrl_695637720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_695637720.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 167 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_847245127.pdb -s /var/tmp/to_scwrl_847245127.seq -o /var/tmp/from_scwrl_847245127.pdb > /var/tmp/scwrl_847245127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_847245127.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 178 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1524480819.pdb -s /var/tmp/to_scwrl_1524480819.seq -o /var/tmp/from_scwrl_1524480819.pdb > /var/tmp/scwrl_1524480819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524480819.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 ; scwrl -i /var/tmp/to_scwrl_841031541.pdb -s /var/tmp/to_scwrl_841031541.seq -o /var/tmp/from_scwrl_841031541.pdb > /var/tmp/scwrl_841031541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_841031541.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 ; scwrl -i /var/tmp/to_scwrl_340228631.pdb -s /var/tmp/to_scwrl_340228631.seq -o /var/tmp/from_scwrl_340228631.pdb > /var/tmp/scwrl_340228631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_340228631.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 ; scwrl -i /var/tmp/to_scwrl_634352611.pdb -s /var/tmp/to_scwrl_634352611.seq -o /var/tmp/from_scwrl_634352611.pdb > /var/tmp/scwrl_634352611.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_634352611.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 ; scwrl -i /var/tmp/to_scwrl_2099272845.pdb -s /var/tmp/to_scwrl_2099272845.seq -o /var/tmp/from_scwrl_2099272845.pdb > /var/tmp/scwrl_2099272845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2099272845.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 ; scwrl -i /var/tmp/to_scwrl_313032803.pdb -s /var/tmp/to_scwrl_313032803.seq -o /var/tmp/from_scwrl_313032803.pdb > /var/tmp/scwrl_313032803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_313032803.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 ; scwrl -i /var/tmp/to_scwrl_1644851372.pdb -s /var/tmp/to_scwrl_1644851372.seq -o /var/tmp/from_scwrl_1644851372.pdb > /var/tmp/scwrl_1644851372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1644851372.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_expm_TS1-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation 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 ; scwrl -i /var/tmp/to_scwrl_1424597849.pdb -s /var/tmp/to_scwrl_1424597849.seq -o /var/tmp/from_scwrl_1424597849.pdb > /var/tmp/scwrl_1424597849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1424597849.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 ; scwrl -i /var/tmp/to_scwrl_1945926402.pdb -s /var/tmp/to_scwrl_1945926402.seq -o /var/tmp/from_scwrl_1945926402.pdb > /var/tmp/scwrl_1945926402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1945926402.pdb # conformation set from SCWRL output # naming current conformation UNI-EID_sfst_AL2-scwrl # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_2028237355.pdb -s /var/tmp/to_scwrl_2028237355.seq -o /var/tmp/from_scwrl_2028237355.pdb > /var/tmp/scwrl_2028237355.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2028237355.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 ; scwrl -i /var/tmp/to_scwrl_1038898259.pdb -s /var/tmp/to_scwrl_1038898259.seq -o /var/tmp/from_scwrl_1038898259.pdb > /var/tmp/scwrl_1038898259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038898259.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 ; scwrl -i /var/tmp/to_scwrl_534474592.pdb -s /var/tmp/to_scwrl_534474592.seq -o /var/tmp/from_scwrl_534474592.pdb > /var/tmp/scwrl_534474592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_534474592.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 160 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_630157891.pdb -s /var/tmp/to_scwrl_630157891.seq -o /var/tmp/from_scwrl_630157891.pdb > /var/tmp/scwrl_630157891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_630157891.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 160 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1942956921.pdb -s /var/tmp/to_scwrl_1942956921.seq -o /var/tmp/from_scwrl_1942956921.pdb > /var/tmp/scwrl_1942956921.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1942956921.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 160 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1581504474.pdb -s /var/tmp/to_scwrl_1581504474.seq -o /var/tmp/from_scwrl_1581504474.pdb > /var/tmp/scwrl_1581504474.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1581504474.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 152 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1367785756.pdb -s /var/tmp/to_scwrl_1367785756.seq -o /var/tmp/from_scwrl_1367785756.pdb > /var/tmp/scwrl_1367785756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1367785756.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 160 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_723626111.pdb -s /var/tmp/to_scwrl_723626111.seq -o /var/tmp/from_scwrl_723626111.pdb > /var/tmp/scwrl_723626111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_723626111.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 ; scwrl -i /var/tmp/to_scwrl_1920158864.pdb -s /var/tmp/to_scwrl_1920158864.seq -o /var/tmp/from_scwrl_1920158864.pdb > /var/tmp/scwrl_1920158864.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1920158864.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 ; scwrl -i /var/tmp/to_scwrl_47109498.pdb -s /var/tmp/to_scwrl_47109498.seq -o /var/tmp/from_scwrl_47109498.pdb > /var/tmp/scwrl_47109498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_47109498.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 ; scwrl -i /var/tmp/to_scwrl_1119157206.pdb -s /var/tmp/to_scwrl_1119157206.seq -o /var/tmp/from_scwrl_1119157206.pdb > /var/tmp/scwrl_1119157206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1119157206.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL1-scwrl # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_316039485.pdb -s /var/tmp/to_scwrl_316039485.seq -o /var/tmp/from_scwrl_316039485.pdb > /var/tmp/scwrl_316039485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_316039485.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 ; scwrl -i /var/tmp/to_scwrl_1813938005.pdb -s /var/tmp/to_scwrl_1813938005.seq -o /var/tmp/from_scwrl_1813938005.pdb > /var/tmp/scwrl_1813938005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1813938005.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 ; scwrl -i /var/tmp/to_scwrl_2140285078.pdb -s /var/tmp/to_scwrl_2140285078.seq -o /var/tmp/from_scwrl_2140285078.pdb > /var/tmp/scwrl_2140285078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2140285078.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 ; scwrl -i /var/tmp/to_scwrl_1026965065.pdb -s /var/tmp/to_scwrl_1026965065.seq -o /var/tmp/from_scwrl_1026965065.pdb > /var/tmp/scwrl_1026965065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1026965065.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 # WARNING: incomplete conformation T0345 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1863000599.pdb -s /var/tmp/to_scwrl_1863000599.seq -o /var/tmp/from_scwrl_1863000599.pdb > /var/tmp/scwrl_1863000599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1863000599.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 ; scwrl -i /var/tmp/to_scwrl_158569612.pdb -s /var/tmp/to_scwrl_158569612.seq -o /var/tmp/from_scwrl_158569612.pdb > /var/tmp/scwrl_158569612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158569612.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 ; scwrl -i /var/tmp/to_scwrl_389914943.pdb -s /var/tmp/to_scwrl_389914943.seq -o /var/tmp/from_scwrl_389914943.pdb > /var/tmp/scwrl_389914943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_389914943.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 ; scwrl -i /var/tmp/to_scwrl_1873395181.pdb -s /var/tmp/to_scwrl_1873395181.seq -o /var/tmp/from_scwrl_1873395181.pdb > /var/tmp/scwrl_1873395181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1873395181.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 ; scwrl -i /var/tmp/to_scwrl_1170578154.pdb -s /var/tmp/to_scwrl_1170578154.seq -o /var/tmp/from_scwrl_1170578154.pdb > /var/tmp/scwrl_1170578154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1170578154.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 178 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1085552662.pdb -s /var/tmp/to_scwrl_1085552662.seq -o /var/tmp/from_scwrl_1085552662.pdb > /var/tmp/scwrl_1085552662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1085552662.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 169 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_573156662.pdb -s /var/tmp/to_scwrl_573156662.seq -o /var/tmp/from_scwrl_573156662.pdb > /var/tmp/scwrl_573156662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_573156662.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 ; scwrl -i /var/tmp/to_scwrl_547575327.pdb -s /var/tmp/to_scwrl_547575327.seq -o /var/tmp/from_scwrl_547575327.pdb > /var/tmp/scwrl_547575327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_547575327.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 172 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1926584203.pdb -s /var/tmp/to_scwrl_1926584203.seq -o /var/tmp/from_scwrl_1926584203.pdb > /var/tmp/scwrl_1926584203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1926584203.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 168 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_913385293.pdb -s /var/tmp/to_scwrl_913385293.seq -o /var/tmp/from_scwrl_913385293.pdb > /var/tmp/scwrl_913385293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_913385293.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 ; scwrl -i /var/tmp/to_scwrl_1181927938.pdb -s /var/tmp/to_scwrl_1181927938.seq -o /var/tmp/from_scwrl_1181927938.pdb > /var/tmp/scwrl_1181927938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1181927938.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 ; scwrl -i /var/tmp/to_scwrl_1878373401.pdb -s /var/tmp/to_scwrl_1878373401.seq -o /var/tmp/from_scwrl_1878373401.pdb > /var/tmp/scwrl_1878373401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1878373401.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 ; scwrl -i /var/tmp/to_scwrl_1226418095.pdb -s /var/tmp/to_scwrl_1226418095.seq -o /var/tmp/from_scwrl_1226418095.pdb > /var/tmp/scwrl_1226418095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1226418095.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 ; scwrl -i /var/tmp/to_scwrl_679295664.pdb -s /var/tmp/to_scwrl_679295664.seq -o /var/tmp/from_scwrl_679295664.pdb > /var/tmp/scwrl_679295664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_679295664.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 ; scwrl -i /var/tmp/to_scwrl_1155487604.pdb -s /var/tmp/to_scwrl_1155487604.seq -o /var/tmp/from_scwrl_1155487604.pdb > /var/tmp/scwrl_1155487604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1155487604.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 ; scwrl -i /var/tmp/to_scwrl_1024860852.pdb -s /var/tmp/to_scwrl_1024860852.seq -o /var/tmp/from_scwrl_1024860852.pdb > /var/tmp/scwrl_1024860852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1024860852.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 ; scwrl -i /var/tmp/to_scwrl_560049372.pdb -s /var/tmp/to_scwrl_560049372.seq -o /var/tmp/from_scwrl_560049372.pdb > /var/tmp/scwrl_560049372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_560049372.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 176 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_46902216.pdb -s /var/tmp/to_scwrl_46902216.seq -o /var/tmp/from_scwrl_46902216.pdb > /var/tmp/scwrl_46902216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_46902216.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 ; scwrl -i /var/tmp/to_scwrl_1559335443.pdb -s /var/tmp/to_scwrl_1559335443.seq -o /var/tmp/from_scwrl_1559335443.pdb > /var/tmp/scwrl_1559335443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1559335443.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 ; scwrl -i /var/tmp/to_scwrl_1190207262.pdb -s /var/tmp/to_scwrl_1190207262.seq -o /var/tmp/from_scwrl_1190207262.pdb > /var/tmp/scwrl_1190207262.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1190207262.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 155 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 167 ; scwrl -i /var/tmp/to_scwrl_1989859138.pdb -s /var/tmp/to_scwrl_1989859138.seq -o /var/tmp/from_scwrl_1989859138.pdb > /var/tmp/scwrl_1989859138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1989859138.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 ; scwrl -i /var/tmp/to_scwrl_993356272.pdb -s /var/tmp/to_scwrl_993356272.seq -o /var/tmp/from_scwrl_993356272.pdb > /var/tmp/scwrl_993356272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_993356272.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 ; scwrl -i /var/tmp/to_scwrl_410509372.pdb -s /var/tmp/to_scwrl_410509372.seq -o /var/tmp/from_scwrl_410509372.pdb > /var/tmp/scwrl_410509372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_410509372.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 ; scwrl -i /var/tmp/to_scwrl_566001602.pdb -s /var/tmp/to_scwrl_566001602.seq -o /var/tmp/from_scwrl_566001602.pdb > /var/tmp/scwrl_566001602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_566001602.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 ; scwrl -i /var/tmp/to_scwrl_766031489.pdb -s /var/tmp/to_scwrl_766031489.seq -o /var/tmp/from_scwrl_766031489.pdb > /var/tmp/scwrl_766031489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_766031489.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 ; scwrl -i /var/tmp/to_scwrl_457618870.pdb -s /var/tmp/to_scwrl_457618870.seq -o /var/tmp/from_scwrl_457618870.pdb > /var/tmp/scwrl_457618870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_457618870.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 ; scwrl -i /var/tmp/to_scwrl_1685158809.pdb -s /var/tmp/to_scwrl_1685158809.seq -o /var/tmp/from_scwrl_1685158809.pdb > /var/tmp/scwrl_1685158809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1685158809.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 ; scwrl -i /var/tmp/to_scwrl_1082070973.pdb -s /var/tmp/to_scwrl_1082070973.seq -o /var/tmp/from_scwrl_1082070973.pdb > /var/tmp/scwrl_1082070973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1082070973.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 ; scwrl -i /var/tmp/to_scwrl_124073228.pdb -s /var/tmp/to_scwrl_124073228.seq -o /var/tmp/from_scwrl_124073228.pdb > /var/tmp/scwrl_124073228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_124073228.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 ; scwrl -i /var/tmp/to_scwrl_1677960240.pdb -s /var/tmp/to_scwrl_1677960240.seq -o /var/tmp/from_scwrl_1677960240.pdb > /var/tmp/scwrl_1677960240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1677960240.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 ; scwrl -i /var/tmp/to_scwrl_2109036039.pdb -s /var/tmp/to_scwrl_2109036039.seq -o /var/tmp/from_scwrl_2109036039.pdb > /var/tmp/scwrl_2109036039.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109036039.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 45.591 sec, elapsed time= 1134.508 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.predburial.rdb # command:# CostConform shub_TS1-scwrl costs 380.324 real_cost = -325.040 shub_TS1 costs 372.483 real_cost = -331.397 nFOLD_TS5-scwrl costs 701.143 real_cost = 272.801 nFOLD_TS5 costs 9793.034 real_cost = 364.635 nFOLD_TS4-scwrl costs 654.964 real_cost = 152.032 nFOLD_TS4 costs 4380.613 real_cost = 229.457 nFOLD_TS3-scwrl costs 662.045 real_cost = 178.808 nFOLD_TS3 costs 5749.693 real_cost = 258.731 nFOLD_TS2-scwrl costs 672.871 real_cost = 176.652 nFOLD_TS2 costs 3517.175 real_cost = 256.449 nFOLD_TS1-scwrl costs 397.340 real_cost = -305.560 nFOLD_TS1 costs 23165.413 real_cost = -200.778 mGen-3D_TS1-scwrl costs 400.638 real_cost = -263.585 mGen-3D_TS1 costs 23263.131 real_cost = -159.288 keasar-server_TS5-scwrl costs 434.565 real_cost = 206.723 keasar-server_TS5 costs 436.241 real_cost = 209.253 keasar-server_TS4-scwrl costs 358.772 real_cost = -274.474 keasar-server_TS4 costs 358.748 real_cost = -272.167 keasar-server_TS3-scwrl costs 365.240 real_cost = -293.987 keasar-server_TS3 costs 358.517 real_cost = -301.584 keasar-server_TS2-scwrl costs 371.844 real_cost = -258.569 keasar-server_TS2 costs 367.603 real_cost = -261.587 keasar-server_TS1-scwrl costs 370.928 real_cost = -199.744 keasar-server_TS1 costs 367.903 real_cost = -209.140 karypis.srv_TS5-scwrl costs 453.636 real_cost = 157.757 karypis.srv_TS5 costs 452.872 real_cost = 158.979 karypis.srv_TS4-scwrl costs 431.215 real_cost = 85.263 karypis.srv_TS4 costs 431.215 real_cost = 85.263 karypis.srv_TS3-scwrl costs 482.457 real_cost = 100.101 karypis.srv_TS3 costs 467.488 real_cost = 96.422 karypis.srv_TS2-scwrl costs 430.931 real_cost = 148.505 karypis.srv_TS2 costs 430.607 real_cost = 147.898 karypis.srv_TS1-scwrl costs 533.493 real_cost = 140.365 karypis.srv_TS1 costs 532.426 real_cost = 140.391 karypis.srv.4_TS5-scwrl costs 519.772 real_cost = 301.202 karypis.srv.4_TS5 costs 519.772 real_cost = 301.202 karypis.srv.4_TS4-scwrl costs 596.786 real_cost = 338.145 karypis.srv.4_TS4 costs 596.927 real_cost = 336.795 karypis.srv.4_TS2-scwrl costs 552.367 real_cost = 309.667 karypis.srv.4_TS2 costs 552.367 real_cost = 309.667 karypis.srv.4_TS1-scwrl costs 523.385 real_cost = 307.517 karypis.srv.4_TS1 costs 523.385 real_cost = 307.517 karypis.srv.2_TS5-scwrl costs 489.612 real_cost = 158.106 karypis.srv.2_TS5 costs 488.275 real_cost = 157.519 karypis.srv.2_TS4-scwrl costs 521.997 real_cost = 87.494 karypis.srv.2_TS4 costs 519.435 real_cost = 86.144 karypis.srv.2_TS3-scwrl costs 411.326 real_cost = 64.848 karypis.srv.2_TS3 costs 411.434 real_cost = 65.916 karypis.srv.2_TS2-scwrl costs 572.218 real_cost = 106.988 karypis.srv.2_TS2 costs 572.657 real_cost = 107.694 karypis.srv.2_TS1-scwrl costs 442.904 real_cost = 56.677 karypis.srv.2_TS1 costs 441.301 real_cost = 56.352 gtg_AL5-scwrl costs 808.660 real_cost = 214.162 gtg_AL5 costs 14305.080 real_cost = 295.870 gtg_AL4-scwrl costs 839.649 real_cost = 248.664 gtg_AL4 costs 33680.164 real_cost = 342.152 gtg_AL3-scwrl costs 797.147 real_cost = 209.107 gtg_AL3 costs 9239.478 real_cost = 292.349 gtg_AL2-scwrl costs 894.543 real_cost = 270.083 gtg_AL2 costs 43136.353 real_cost = 353.201 gtg_AL1-scwrl costs 846.718 real_cost = 176.784 gtg_AL1 costs 11528.862 real_cost = 266.639 forecast-s_AL5-scwrl costs 767.102 real_cost = 225.608 forecast-s_AL5 costs 12959.507 real_cost = 327.289 forecast-s_AL4-scwrl costs 880.011 real_cost = 177.127 forecast-s_AL4 costs 9649.920 real_cost = 254.857 forecast-s_AL3-scwrl costs 820.571 real_cost = 120.481 forecast-s_AL3 costs 13647.071 real_cost = 205.986 forecast-s_AL2-scwrl costs 842.371 real_cost = 137.673 forecast-s_AL2 costs 11803.761 real_cost = 214.997 forecast-s_AL1-scwrl costs 395.401 real_cost = -319.982 forecast-s_AL1 costs 39102.030 real_cost = -188.589 beautshotbase_TS1-scwrl costs 408.844 real_cost = -287.659 beautshotbase_TS1 costs 390.498 real_cost = -286.988 beautshot_TS1-scwrl costs 418.753 real_cost = -224.762 beautshot_TS1 costs 406.446 real_cost = -213.589 Zhang-Server_TS5-scwrl costs 357.027 real_cost = -319.495 Zhang-Server_TS5 costs 357.027 real_cost = -319.495 Zhang-Server_TS4-scwrl costs 354.046 real_cost = -324.561 Zhang-Server_TS4 costs 354.046 real_cost = -324.561 Zhang-Server_TS3-scwrl costs 353.186 real_cost = -320.809 Zhang-Server_TS3 costs 353.783 real_cost = -319.217 Zhang-Server_TS2-scwrl costs 353.069 real_cost = -313.532 Zhang-Server_TS2 costs 353.069 real_cost = -313.532 Zhang-Server_TS1-scwrl costs 356.906 real_cost = -319.348 Zhang-Server_TS1 costs 356.906 real_cost = -319.348 UNI-EID_sfst_AL5-scwrl costs 829.809 real_cost = 150.631 UNI-EID_sfst_AL5 costs 8436.555 real_cost = 236.863 UNI-EID_sfst_AL4-scwrl costs 915.370 real_cost = 224.100 UNI-EID_sfst_AL4 costs 15229.433 real_cost = 306.099 UNI-EID_sfst_AL3-scwrl costs 599.301 real_cost = -110.143 UNI-EID_sfst_AL3 costs 13851.802 real_cost = 21.864 UNI-EID_sfst_AL2-scwrl costs 402.945 real_cost = -308.636 UNI-EID_sfst_AL2 costs 39079.900 real_cost = -172.112 UNI-EID_sfst_AL1-scwrl costs 386.392 real_cost = -328.588 UNI-EID_sfst_AL1 costs 15563.039 real_cost = -192.041 UNI-EID_expm_TS1-scwrl costs 1088.646 real_cost = -178.565 UNI-EID_expm_TS1 costs 9077.522 real_cost = -178.556 UNI-EID_bnmx_TS5-scwrl costs 785.326 real_cost = 154.668 UNI-EID_bnmx_TS5 costs 9552.564 real_cost = 238.971 UNI-EID_bnmx_TS4-scwrl costs 872.437 real_cost = 198.146 UNI-EID_bnmx_TS4 costs 15273.753 real_cost = 280.971 UNI-EID_bnmx_TS3-scwrl costs 588.717 real_cost = -112.476 UNI-EID_bnmx_TS3 costs 13857.073 real_cost = 21.308 UNI-EID_bnmx_TS2-scwrl costs 380.342 real_cost = -329.445 UNI-EID_bnmx_TS2 costs 39172.211 real_cost = -190.901 UNI-EID_bnmx_TS1-scwrl costs 383.548 real_cost = -322.584 UNI-EID_bnmx_TS1 costs 17126.288 real_cost = -180.950 SPARKS2_TS5-scwrl costs 400.385 real_cost = 50.223 SPARKS2_TS5 costs 401.817 real_cost = 54.360 SPARKS2_TS4-scwrl costs 464.670 real_cost = 115.756 SPARKS2_TS4 costs 445.160 real_cost = 114.809 SPARKS2_TS3-scwrl costs 448.722 real_cost = 99.045 SPARKS2_TS3 costs 452.301 real_cost = 106.179 SPARKS2_TS2-scwrl costs 371.638 real_cost = -116.983 SPARKS2_TS2 costs 373.880 real_cost = -125.451 SPARKS2_TS1-scwrl costs 359.464 real_cost = -275.836 SPARKS2_TS1 costs 359.522 real_cost = -288.133 SP4_TS5-scwrl costs 417.068 real_cost = 82.968 SP4_TS5 costs 423.599 real_cost = 84.641 SP4_TS4-scwrl costs 437.424 real_cost = 118.141 SP4_TS4 costs 442.800 real_cost = 128.352 SP4_TS3-scwrl costs 425.557 real_cost = 100.508 SP4_TS3 costs 432.369 real_cost = 94.389 SP4_TS2-scwrl costs 378.399 real_cost = -103.741 SP4_TS2 costs 377.578 real_cost = -111.219 SP4_TS1-scwrl costs 355.803 real_cost = -284.558 SP4_TS1 costs 354.962 real_cost = -299.097 SP3_TS5-scwrl costs 440.229 real_cost = 105.393 SP3_TS5 costs 431.426 real_cost = 98.210 SP3_TS4-scwrl costs 458.607 real_cost = 110.540 SP3_TS4 costs 457.643 real_cost = 109.877 SP3_TS3-scwrl costs 448.229 real_cost = 106.014 SP3_TS3 costs 443.856 real_cost = 105.615 SP3_TS2-scwrl costs 371.096 real_cost = -112.084 SP3_TS2 costs 376.020 real_cost = -117.283 SP3_TS1-scwrl costs 356.894 real_cost = -280.341 SP3_TS1 costs 357.872 real_cost = -292.411 SAM_T06_server_TS5-scwrl costs 1013.932 real_cost = 290.129 SAM_T06_server_TS5 costs 835.036 real_cost = 216.808 SAM_T06_server_TS4-scwrl costs 720.360 real_cost = -43.964 SAM_T06_server_TS4 costs 626.726 real_cost = -88.486 SAM_T06_server_TS3-scwrl costs 700.889 real_cost = -56.779 SAM_T06_server_TS3 costs 579.396 real_cost = -129.647 SAM_T06_server_TS2-scwrl costs 533.538 real_cost = -152.463 SAM_T06_server_TS2 costs 477.259 real_cost = -191.648 SAM_T06_server_TS1-scwrl costs 335.458 real_cost = -299.983 SAM_T06_server_TS1 costs 325.727 real_cost = -298.324 SAM-T99_AL5-scwrl costs 631.836 real_cost = -99.420 SAM-T99_AL5 costs 13268.476 real_cost = 7.180 SAM-T99_AL4-scwrl costs 400.320 real_cost = -308.367 SAM-T99_AL4 costs 16095.171 real_cost = -183.257 SAM-T99_AL3-scwrl costs 402.633 real_cost = -319.441 SAM-T99_AL3 costs 27242.440 real_cost = -183.647 SAM-T99_AL2-scwrl costs 388.629 real_cost = -320.493 SAM-T99_AL2 costs 15569.609 real_cost = -182.573 SAM-T99_AL1-scwrl costs 388.619 real_cost = -237.443 SAM-T99_AL1 costs 39018.064 real_cost = -81.946 SAM-T02_AL5-scwrl costs 893.280 real_cost = 127.726 SAM-T02_AL5 costs 11051.219 real_cost = 198.298 SAM-T02_AL4-scwrl costs 887.256 real_cost = 161.071 SAM-T02_AL4 costs 9168.686 real_cost = 232.926 SAM-T02_AL3-scwrl costs 611.117 real_cost = -102.204 SAM-T02_AL3 costs 13971.918 real_cost = 18.543 SAM-T02_AL2-scwrl costs 401.353 real_cost = -303.294 SAM-T02_AL2 costs 39197.916 real_cost = -177.100 SAM-T02_AL1-scwrl costs 388.863 real_cost = -311.839 SAM-T02_AL1 costs 15612.702 real_cost = -178.383 ROKKY_TS3-scwrl costs 408.916 real_cost = 77.790 ROKKY_TS3 costs 417.419 real_cost = 84.461 ROKKY_TS2-scwrl costs 356.629 real_cost = -295.730 ROKKY_TS2 costs 355.994 real_cost = -309.908 ROKKY_TS1-scwrl costs 352.227 real_cost = -326.848 ROKKY_TS1 costs 352.187 real_cost = -337.693 ROBETTA_TS5-scwrl costs 343.032 real_cost = -316.715 ROBETTA_TS5 costs 335.924 real_cost = -327.548 ROBETTA_TS4-scwrl costs 344.312 real_cost = -344.284 ROBETTA_TS4 costs 337.554 real_cost = -356.275 ROBETTA_TS3-scwrl costs 343.540 real_cost = -351.036 ROBETTA_TS3 costs 335.848 real_cost = -364.767 ROBETTA_TS2-scwrl costs 345.324 real_cost = -334.291 ROBETTA_TS2 costs 337.572 real_cost = -344.279 ROBETTA_TS1-scwrl costs 344.555 real_cost = -341.435 ROBETTA_TS1 costs 336.756 real_cost = -354.554 RAPTOR_TS5-scwrl costs 428.048 real_cost = 104.727 RAPTOR_TS5 costs 436.518 real_cost = 108.753 RAPTOR_TS4-scwrl costs 405.318 real_cost = 44.081 RAPTOR_TS4 costs 412.557 real_cost = 44.343 RAPTOR_TS3-scwrl costs 398.257 real_cost = -109.704 RAPTOR_TS3 costs 395.915 real_cost = -114.971 RAPTOR_TS2-scwrl costs 354.817 real_cost = -293.868 RAPTOR_TS2 costs 353.993 real_cost = -300.479 RAPTOR_TS1-scwrl costs 353.836 real_cost = -306.601 RAPTOR_TS1 costs 352.714 real_cost = -321.577 RAPTORESS_TS5-scwrl costs 419.239 real_cost = 109.435 RAPTORESS_TS5 costs 429.431 real_cost = 120.113 RAPTORESS_TS4-scwrl costs 395.116 real_cost = 46.367 RAPTORESS_TS4 costs 403.703 real_cost = 56.914 RAPTORESS_TS3-scwrl costs 380.206 real_cost = -87.715 RAPTORESS_TS3 costs 380.035 real_cost = -89.584 RAPTORESS_TS2-scwrl costs 347.636 real_cost = -289.100 RAPTORESS_TS2 costs 346.694 real_cost = -296.843 RAPTORESS_TS1-scwrl costs 366.503 real_cost = -271.235 RAPTORESS_TS1 costs 363.600 real_cost = -298.106 RAPTOR-ACE_TS5-scwrl costs 356.864 real_cost = -299.022 RAPTOR-ACE_TS5 costs 356.289 real_cost = -310.116 RAPTOR-ACE_TS4-scwrl costs 356.894 real_cost = -280.341 RAPTOR-ACE_TS4 costs 357.872 real_cost = -292.411 RAPTOR-ACE_TS3-scwrl costs 351.800 real_cost = -303.829 RAPTOR-ACE_TS3 costs 351.826 real_cost = -312.082 RAPTOR-ACE_TS2-scwrl costs 363.672 real_cost = -252.840 RAPTOR-ACE_TS2 costs 364.405 real_cost = -268.498 RAPTOR-ACE_TS1-scwrl costs 360.543 real_cost = -277.303 RAPTOR-ACE_TS1 costs 360.077 real_cost = -287.052 Pmodeller6_TS5-scwrl costs 343.032 real_cost = -316.715 Pmodeller6_TS5 costs 335.924 real_cost = -327.548 Pmodeller6_TS4-scwrl costs 383.242 real_cost = -316.576 Pmodeller6_TS4 costs 373.089 real_cost = -313.828 Pmodeller6_TS3-scwrl costs 383.242 real_cost = -316.576 Pmodeller6_TS3 costs 373.089 real_cost = -313.828 Pmodeller6_TS2-scwrl costs 402.498 real_cost = -298.596 Pmodeller6_TS2 costs 384.345 real_cost = -299.737 Pmodeller6_TS1-scwrl costs 344.312 real_cost = -344.284 Pmodeller6_TS1 costs 337.554 real_cost = -356.275 Phyre-2_TS5-scwrl costs 355.752 real_cost = -299.714 Phyre-2_TS5 costs 363.748 real_cost = -296.797 Phyre-2_TS4-scwrl costs 355.576 real_cost = -302.162 Phyre-2_TS4 costs 363.495 real_cost = -299.333 Phyre-2_TS3-scwrl costs 355.241 real_cost = -307.825 Phyre-2_TS3 costs 363.671 real_cost = -304.746 Phyre-2_TS2-scwrl costs 355.136 real_cost = -294.250 Phyre-2_TS2 costs 362.782 real_cost = -291.300 Phyre-2_TS1-scwrl costs 385.937 real_cost = -302.978 Phyre-2_TS1 costs 393.522 real_cost = -299.217 Phyre-1_TS1-scwrl costs 375.708 real_cost = -331.494 Phyre-1_TS1 costs 367.760 real_cost = -330.280 Pcons6_TS5-scwrl costs 400.461 real_cost = -290.813 Pcons6_TS5 costs 400.525 real_cost = -290.271 Pcons6_TS4-scwrl costs 385.381 real_cost = -291.025 Pcons6_TS4 costs 374.061 real_cost = -289.783 Pcons6_TS3-scwrl costs 396.218 real_cost = -317.130 Pcons6_TS3 costs 379.911 real_cost = -323.063 Pcons6_TS2-scwrl costs 383.242 real_cost = -316.576 Pcons6_TS2 costs 373.089 real_cost = -313.828 Pcons6_TS1-scwrl costs 396.192 real_cost = -308.112 Pcons6_TS1 costs 380.287 real_cost = -309.972 PROTINFO_TS5-scwrl costs 357.255 real_cost = -283.938 PROTINFO_TS5 costs 353.100 real_cost = -310.870 PROTINFO_TS4-scwrl costs 404.635 real_cost = 56.151 PROTINFO_TS4 costs 406.759 real_cost = 58.622 PROTINFO_TS3-scwrl costs 371.179 real_cost = -113.650 PROTINFO_TS3 costs 368.076 real_cost = -122.326 PROTINFO_TS2-scwrl costs 361.129 real_cost = -254.742 PROTINFO_TS2 costs 353.593 real_cost = -276.111 PROTINFO_TS1-scwrl costs 343.074 real_cost = -310.976 PROTINFO_TS1 costs 344.235 real_cost = -315.769 PROTINFO-AB_TS5-scwrl costs 372.821 real_cost = -247.916 PROTINFO-AB_TS5 costs 370.614 real_cost = -273.268 PROTINFO-AB_TS4-scwrl costs 365.143 real_cost = -264.544 PROTINFO-AB_TS4 costs 364.689 real_cost = -294.612 PROTINFO-AB_TS3-scwrl costs 364.925 real_cost = -266.010 PROTINFO-AB_TS3 costs 365.503 real_cost = -281.840 PROTINFO-AB_TS2-scwrl costs 367.995 real_cost = -252.972 PROTINFO-AB_TS2 costs 367.548 real_cost = -277.495 PROTINFO-AB_TS1-scwrl costs 368.029 real_cost = -248.142 PROTINFO-AB_TS1 costs 373.614 real_cost = -271.679 NN_PUT_lab_TS1-scwrl costs 359.464 real_cost = -275.836 NN_PUT_lab_TS1 costs 359.522 real_cost = -288.133 MetaTasser_TS5-scwrl costs 546.646 real_cost = -27.986 MetaTasser_TS5 costs 567.646 real_cost = -26.223 MetaTasser_TS4-scwrl costs 569.853 real_cost = 16.583 MetaTasser_TS4 costs 604.567 real_cost = 12.692 MetaTasser_TS3-scwrl costs 578.046 real_cost = 72.369 MetaTasser_TS3 costs 615.773 real_cost = 65.745 MetaTasser_TS2-scwrl costs 553.995 real_cost = -17.613 MetaTasser_TS2 costs 581.266 real_cost = -22.538 MetaTasser_TS1-scwrl costs 438.451 real_cost = -230.287 MetaTasser_TS1 costs 466.237 real_cost = -223.271 Ma-OPUS-server_TS5-scwrl costs 456.843 real_cost = 143.162 Ma-OPUS-server_TS5 costs 447.361 real_cost = 142.783 Ma-OPUS-server_TS4-scwrl costs 419.480 real_cost = 81.248 Ma-OPUS-server_TS4 costs 418.414 real_cost = 84.691 Ma-OPUS-server_TS3-scwrl costs 427.520 real_cost = 99.175 Ma-OPUS-server_TS3 costs 428.988 real_cost = 95.196 Ma-OPUS-server_TS2-scwrl costs 353.527 real_cost = -284.655 Ma-OPUS-server_TS2 costs 355.849 real_cost = -298.860 Ma-OPUS-server_TS1-scwrl costs 357.078 real_cost = -288.879 Ma-OPUS-server_TS1 costs 356.754 real_cost = -288.894 Ma-OPUS-server2_TS5-scwrl costs 447.413 real_cost = 109.337 Ma-OPUS-server2_TS5 costs 443.758 real_cost = 107.492 Ma-OPUS-server2_TS4-scwrl costs 427.520 real_cost = 99.175 Ma-OPUS-server2_TS4 costs 428.988 real_cost = 95.196 Ma-OPUS-server2_TS3-scwrl costs 416.122 real_cost = 84.300 Ma-OPUS-server2_TS3 costs 414.583 real_cost = 79.812 Ma-OPUS-server2_TS2-scwrl costs 356.567 real_cost = -286.223 Ma-OPUS-server2_TS2 costs 357.411 real_cost = -290.490 Ma-OPUS-server2_TS1-scwrl costs 357.078 real_cost = -288.879 Ma-OPUS-server2_TS1 costs 356.754 real_cost = -288.894 LOOPP_TS5-scwrl costs 458.039 real_cost = 126.661 LOOPP_TS5 costs 436.424 real_cost = 131.880 LOOPP_TS4-scwrl costs 852.677 real_cost = 325.193 LOOPP_TS4 costs 845.455 real_cost = 327.782 LOOPP_TS3-scwrl costs 422.005 real_cost = -61.721 LOOPP_TS3 costs 398.975 real_cost = -55.356 LOOPP_TS2-scwrl costs 422.056 real_cost = -202.299 LOOPP_TS2 costs 408.285 real_cost = -196.922 LOOPP_TS1-scwrl costs 400.571 real_cost = -248.123 LOOPP_TS1 costs 401.039 real_cost = -236.101 Huber-Torda-Server_TS5-scwrl costs 995.186 real_cost = 433.228 Huber-Torda-Server_TS5 costs 17512.578 real_cost = 470.542 Huber-Torda-Server_TS4-scwrl costs 869.565 real_cost = 384.734 Huber-Torda-Server_TS4 costs 7330.255 real_cost = 437.252 Huber-Torda-Server_TS3-scwrl costs 630.342 real_cost = -37.502 Huber-Torda-Server_TS3 costs 7808.666 real_cost = 57.823 Huber-Torda-Server_TS2-scwrl costs 374.033 real_cost = -334.137 Huber-Torda-Server_TS2 costs 8967.110 real_cost = -228.263 Huber-Torda-Server_TS1-scwrl costs 378.357 real_cost = -326.131 Huber-Torda-Server_TS1 costs 23252.046 real_cost = -220.377 HHpred3_TS1-scwrl costs 361.402 real_cost = -234.614 HHpred3_TS1 costs 363.667 real_cost = -247.264 HHpred2_TS1-scwrl costs 366.928 real_cost = -243.930 HHpred2_TS1 costs 369.871 real_cost = -255.939 HHpred1_TS1-scwrl costs 368.706 real_cost = -243.367 HHpred1_TS1 costs 366.895 real_cost = -246.255 GeneSilicoMetaServer_TS5-scwrl costs 358.966 real_cost = -299.546 GeneSilicoMetaServer_TS5 costs 359.217 real_cost = -315.092 GeneSilicoMetaServer_TS4-scwrl costs 358.813 real_cost = -288.979 GeneSilicoMetaServer_TS4 costs 359.160 real_cost = -303.514 GeneSilicoMetaServer_TS3-scwrl costs 377.068 real_cost = -287.336 GeneSilicoMetaServer_TS3 costs 376.904 real_cost = -295.144 GeneSilicoMetaServer_TS2-scwrl costs 357.870 real_cost = -280.806 GeneSilicoMetaServer_TS2 costs 357.772 real_cost = -288.780 GeneSilicoMetaServer_TS1-scwrl costs 364.256 real_cost = -260.034 GeneSilicoMetaServer_TS1 costs 364.797 real_cost = -278.681 FUNCTION_TS5-scwrl costs 377.828 real_cost = -282.756 FUNCTION_TS5 costs 376.896 real_cost = -289.226 FUNCTION_TS4-scwrl costs 377.249 real_cost = -290.761 FUNCTION_TS4 costs 374.024 real_cost = -309.494 FUNCTION_TS3-scwrl costs 382.132 real_cost = -276.117 FUNCTION_TS3 costs 379.495 real_cost = -287.148 FUNCTION_TS2-scwrl costs 371.008 real_cost = -278.381 FUNCTION_TS2 costs 369.757 real_cost = -296.127 FUNCTION_TS1-scwrl costs 378.127 real_cost = -276.420 FUNCTION_TS1 costs 373.618 real_cost = -305.079 FUGUE_AL5-scwrl costs 572.878 real_cost = 268.055 FUGUE_AL5 costs 13387.043 real_cost = 391.575 FUGUE_AL4-scwrl costs 735.643 real_cost = 169.592 FUGUE_AL4 costs 9093.081 real_cost = 271.412 FUGUE_AL3-scwrl costs 767.626 real_cost = 221.784 FUGUE_AL3 costs 26955.508 real_cost = 325.533 FUGUE_AL2-scwrl costs 818.183 real_cost = 257.130 FUGUE_AL2 costs 10962.469 real_cost = 355.136 FUGUE_AL1-scwrl costs 409.159 real_cost = -282.571 FUGUE_AL1 costs 39129.773 real_cost = -146.875 FUGMOD_TS5-scwrl costs 477.625 real_cost = 237.814 FUGMOD_TS5 costs 476.914 real_cost = 240.904 FUGMOD_TS4-scwrl costs 423.888 real_cost = 116.753 FUGMOD_TS4 costs 433.924 real_cost = 115.071 FUGMOD_TS3-scwrl costs 461.216 real_cost = 160.136 FUGMOD_TS3 costs 457.027 real_cost = 156.736 FUGMOD_TS2-scwrl costs 490.540 real_cost = 217.509 FUGMOD_TS2 costs 485.695 real_cost = 217.687 FUGMOD_TS1-scwrl costs 389.016 real_cost = -281.642 FUGMOD_TS1 costs 378.718 real_cost = -295.399 FPSOLVER-SERVER_TS5-scwrl costs 504.093 real_cost = 340.651 FPSOLVER-SERVER_TS5 costs 504.651 real_cost = 339.750 FPSOLVER-SERVER_TS4-scwrl costs 493.274 real_cost = 321.096 FPSOLVER-SERVER_TS4 costs 492.837 real_cost = 324.852 FPSOLVER-SERVER_TS3-scwrl costs 496.767 real_cost = 328.649 FPSOLVER-SERVER_TS3 costs 495.908 real_cost = 330.214 FPSOLVER-SERVER_TS2-scwrl costs 474.328 real_cost = 342.936 FPSOLVER-SERVER_TS2 costs 473.912 real_cost = 344.550 FPSOLVER-SERVER_TS1-scwrl costs 477.928 real_cost = 326.783 FPSOLVER-SERVER_TS1 costs 477.471 real_cost = 327.300 FORTE2_AL5-scwrl costs 740.927 real_cost = 252.945 FORTE2_AL5 costs 7857.220 real_cost = 359.068 FORTE2_AL4-scwrl costs 527.290 real_cost = 287.993 FORTE2_AL4 costs 91841.840 real_cost = 427.131 FORTE2_AL3-scwrl costs 567.539 real_cost = 263.246 FORTE2_AL3 costs 13287.154 real_cost = 390.805 FORTE2_AL2-scwrl costs 453.828 real_cost = 269.659 FORTE2_AL2 costs 20584.998 real_cost = 411.143 FORTE2_AL1-scwrl costs 474.821 real_cost = 278.695 FORTE2_AL1 costs 56775.465 real_cost = 423.801 FORTE1_AL5-scwrl costs 552.468 real_cost = 33.292 FORTE1_AL5 costs 37539.258 real_cost = 166.532 FORTE1_AL4-scwrl costs 536.410 real_cost = 298.660 FORTE1_AL4 costs 91922.733 real_cost = 437.063 FORTE1_AL3-scwrl costs 459.737 real_cost = 270.667 FORTE1_AL3 costs 20573.701 real_cost = 412.476 FORTE1_AL2-scwrl costs 472.876 real_cost = 282.578 FORTE1_AL2 costs 56459.436 real_cost = 427.874 FORTE1_AL1-scwrl costs 606.505 real_cost = 279.772 FORTE1_AL1 costs 13274.003 real_cost = 402.120 FOLDpro_TS5-scwrl costs 354.394 real_cost = -301.127 FOLDpro_TS5 costs 355.318 real_cost = -308.228 FOLDpro_TS4-scwrl costs 381.205 real_cost = -101.766 FOLDpro_TS4 costs 381.563 real_cost = -100.264 FOLDpro_TS3-scwrl costs 355.647 real_cost = -292.541 FOLDpro_TS3 costs 356.881 real_cost = -305.516 FOLDpro_TS2-scwrl costs 352.610 real_cost = -321.468 FOLDpro_TS2 costs 355.262 real_cost = -337.985 FOLDpro_TS1-scwrl costs 356.206 real_cost = -303.925 FOLDpro_TS1 costs 354.139 real_cost = -317.686 FAMS_TS5-scwrl costs 366.646 real_cost = -296.948 FAMS_TS5 costs 369.178 real_cost = -310.112 FAMS_TS4-scwrl costs 371.008 real_cost = -278.381 FAMS_TS4 costs 369.757 real_cost = -296.127 FAMS_TS3-scwrl costs 393.728 real_cost = -300.735 FAMS_TS3 costs 388.487 real_cost = -331.810 FAMS_TS2-scwrl costs 377.249 real_cost = -290.761 FAMS_TS2 costs 374.024 real_cost = -309.494 FAMS_TS1-scwrl costs 366.184 real_cost = -291.226 FAMS_TS1 costs 365.603 real_cost = -307.989 FAMSD_TS5-scwrl costs 400.320 real_cost = -297.285 FAMSD_TS5 costs 382.088 real_cost = -326.044 FAMSD_TS4-scwrl costs 392.536 real_cost = -296.426 FAMSD_TS4 costs 389.902 real_cost = -309.767 FAMSD_TS3-scwrl costs 397.473 real_cost = -303.261 FAMSD_TS3 costs 379.569 real_cost = -308.195 FAMSD_TS2-scwrl costs 392.325 real_cost = -306.392 FAMSD_TS2 costs 388.364 real_cost = -326.755 FAMSD_TS1-scwrl costs 357.869 real_cost = -313.333 FAMSD_TS1 costs 355.134 real_cost = -331.012 Distill_TS5-scwrl costs 2654.063 real_cost = 256.151 Distill_TS4-scwrl costs 2653.832 real_cost = 256.244 Distill_TS3-scwrl costs 2649.411 real_cost = 258.771 Distill_TS2-scwrl costs 2649.144 real_cost = 257.483 Distill_TS1-scwrl costs 2649.817 real_cost = 255.467 CaspIta-FOX_TS5-scwrl costs 739.386 real_cost = 188.646 CaspIta-FOX_TS5 costs 721.709 real_cost = 181.780 CaspIta-FOX_TS4-scwrl costs 640.291 real_cost = 179.632 CaspIta-FOX_TS4 costs 615.241 real_cost = 176.850 CaspIta-FOX_TS3-scwrl costs 728.568 real_cost = 134.609 CaspIta-FOX_TS3 costs 686.746 real_cost = 133.380 CaspIta-FOX_TS2-scwrl costs 557.374 real_cost = -96.789 CaspIta-FOX_TS2 costs 529.615 real_cost = -109.779 CaspIta-FOX_TS1-scwrl costs 390.335 real_cost = -326.354 CaspIta-FOX_TS1 costs 379.403 real_cost = -333.153 CPHmodels_TS1-scwrl costs 398.386 real_cost = -299.636 CPHmodels_TS1 costs 379.200 real_cost = -330.053 CIRCLE_TS5-scwrl costs 393.728 real_cost = -300.735 CIRCLE_TS5 costs 388.487 real_cost = -331.810 CIRCLE_TS4-scwrl costs 372.779 real_cost = -295.850 CIRCLE_TS4 costs 370.386 real_cost = -303.235 CIRCLE_TS3-scwrl costs 386.713 real_cost = -297.770 CIRCLE_TS3 costs 384.973 real_cost = -320.110 CIRCLE_TS2-scwrl costs 366.646 real_cost = -296.948 CIRCLE_TS2 costs 369.178 real_cost = -310.112 CIRCLE_TS1-scwrl costs 364.477 real_cost = -283.311 CIRCLE_TS1 costs 361.759 real_cost = -295.238 Bilab-ENABLE_TS5-scwrl costs 441.459 real_cost = 236.721 Bilab-ENABLE_TS5 costs 441.415 real_cost = 236.720 Bilab-ENABLE_TS4-scwrl costs 457.169 real_cost = 204.836 Bilab-ENABLE_TS4 costs 457.074 real_cost = 204.841 Bilab-ENABLE_TS3-scwrl costs 359.534 real_cost = -287.831 Bilab-ENABLE_TS3 costs 359.534 real_cost = -287.831 Bilab-ENABLE_TS2-scwrl costs 355.179 real_cost = -321.353 Bilab-ENABLE_TS2 costs 355.179 real_cost = -321.353 Bilab-ENABLE_TS1-scwrl costs 352.312 real_cost = -315.358 Bilab-ENABLE_TS1 costs 351.805 real_cost = -315.329 BayesHH_TS1-scwrl costs 352.573 real_cost = -315.382 BayesHH_TS1 costs 351.228 real_cost = -331.214 ABIpro_TS5-scwrl costs 540.030 real_cost = 259.605 ABIpro_TS5 costs 537.175 real_cost = 261.803 ABIpro_TS4-scwrl costs 521.942 real_cost = 265.717 ABIpro_TS4 costs 521.942 real_cost = 265.717 ABIpro_TS3-scwrl costs 498.492 real_cost = 235.856 ABIpro_TS3 costs 495.764 real_cost = 234.220 ABIpro_TS2-scwrl costs 491.492 real_cost = 262.491 ABIpro_TS2 costs 491.187 real_cost = 262.504 ABIpro_TS1-scwrl costs 511.651 real_cost = 294.888 ABIpro_TS1 costs 511.728 real_cost = 294.880 3Dpro_TS5-scwrl costs 354.394 real_cost = -301.127 3Dpro_TS5 costs 355.318 real_cost = -308.228 3Dpro_TS4-scwrl costs 390.375 real_cost = -95.999 3Dpro_TS4 costs 388.355 real_cost = -101.490 3Dpro_TS3-scwrl costs 355.647 real_cost = -292.541 3Dpro_TS3 costs 356.881 real_cost = -305.516 3Dpro_TS2-scwrl costs 352.610 real_cost = -321.468 3Dpro_TS2 costs 355.262 real_cost = -337.985 3Dpro_TS1-scwrl costs 356.206 real_cost = -303.925 3Dpro_TS1 costs 354.139 real_cost = -317.686 3D-JIGSAW_TS1-scwrl costs 409.962 real_cost = -217.264 3D-JIGSAW_TS1 costs 397.176 real_cost = -223.446 3D-JIGSAW_RECOM_TS1-scwrl costs 409.962 real_cost = -217.264 3D-JIGSAW_RECOM_TS1 costs 397.176 real_cost = -223.446 3D-JIGSAW_POPULUS_TS5-scwrl costs 409.962 real_cost = -217.264 3D-JIGSAW_POPULUS_TS5 costs 397.176 real_cost = -223.446 3D-JIGSAW_POPULUS_TS4-scwrl costs 409.962 real_cost = -217.264 3D-JIGSAW_POPULUS_TS4 costs 397.176 real_cost = -223.446 3D-JIGSAW_POPULUS_TS3-scwrl costs 409.962 real_cost = -217.264 3D-JIGSAW_POPULUS_TS3 costs 397.176 real_cost = -223.446 3D-JIGSAW_POPULUS_TS2-scwrl costs 409.962 real_cost = -217.264 3D-JIGSAW_POPULUS_TS2 costs 397.176 real_cost = -223.446 3D-JIGSAW_POPULUS_TS1-scwrl costs 409.962 real_cost = -217.264 3D-JIGSAW_POPULUS_TS1 costs 397.176 real_cost = -223.446 T0345.try3-opt2.repack-nonPC.pdb.gz costs 329.092 real_cost = -315.213 T0345.try3-opt2.pdb.gz costs 327.266 real_cost = -306.294 T0345.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 336.997 real_cost = -313.852 T0345.try3-opt2.gromacs0.pdb.gz costs 335.524 real_cost = -309.249 T0345.try3-opt1.pdb.gz costs 330.933 real_cost = -312.142 T0345.try3-opt1-scwrl.pdb.gz costs 341.928 real_cost = -298.895 T0345.try2-opt2.repack-nonPC.pdb.gz costs 327.390 real_cost = -306.865 T0345.try2-opt2.pdb.gz costs 324.078 real_cost = -306.003 T0345.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 336.527 real_cost = -314.276 T0345.try2-opt2.gromacs0.pdb.gz costs 333.085 real_cost = -305.753 T0345.try2-opt1.pdb.gz costs 327.744 real_cost = -309.070 T0345.try2-opt1-scwrl.pdb.gz costs 331.772 real_cost = -311.782 T0345.try1-opt2.repack-nonPC.pdb.gz costs 328.310 real_cost = -307.891 T0345.try1-opt2.pdb.gz costs 326.736 real_cost = -305.944 T0345.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 339.230 real_cost = -312.560 T0345.try1-opt2.gromacs0.pdb.gz costs 338.736 real_cost = -305.402 T0345.try1-opt1.pdb.gz costs 336.453 real_cost = -306.569 T0345.try1-opt1-scwrl.pdb.gz costs 343.249 real_cost = -306.874 ../model5.ts-submitted costs 472.640 real_cost = -262.603 ../model4.ts-submitted costs 326.782 real_cost = -305.525 ../model3.ts-submitted costs 324.293 real_cost = -306.014 ../model2.ts-submitted costs 327.314 real_cost = -306.291 ../model1.ts-submitted costs 336.987 real_cost = -313.830 align5 costs 860.993 real_cost = 104.368 align4 costs 1083.030 real_cost = 142.065 align3 costs 1212.999 real_cost = 202.392 align2 costs 823.719 real_cost = -234.197 align1 costs 483.076 real_cost = -261.541 T0345.try1-opt2.pdb costs 326.736 real_cost = -305.846 model5-scwrl costs 529.124 real_cost = -222.910 model5.ts-submitted costs 472.640 real_cost = -262.603 model4-scwrl costs 335.033 real_cost = -308.691 model4.ts-submitted costs 326.782 real_cost = -305.525 model3-scwrl costs 333.005 real_cost = -308.906 model3.ts-submitted costs 324.293 real_cost = -306.014 model2-scwrl costs 338.812 real_cost = -298.864 model2.ts-submitted costs 327.314 real_cost = -306.291 model1-scwrl costs 345.614 real_cost = -295.926 model1.ts-submitted costs 336.987 real_cost = -313.830 2he3A costs 364.441 real_cost = -893.400 # command:CPU_time= 938.110 sec, elapsed time= 3036.253 sec) # command:rm -f sort.tmp /projects/compbio/bin/sorttbl real_cost < decoys/evaluate.predburial.rdb > sort.tmp mv -f sort.tmp decoys/evaluate.predburial.rdb mv -f decoys/evaluate.predburial.pretty decoys/evaluate.predburial.pretty.old /projects/compbio/experiments/protein-predict/casp7/scripts/prettyscore -terse -targpfx -decpoint < decoys/evaluate.predburial.rdb > decoys/evaluate.predburial.pretty make[1]: Leaving directory `/projects/compbio/experiments/protein-predict/casp7/T0345'