make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0290' 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/T0290.} ;\ 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/T0290/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2gw2A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174490354 # 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= 6.53601 sec, elapsed time= 13.5046 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= 6.61599 sec, elapsed time= 13.6805 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0290 numbered 1 through 173 Created new target T0290 from T0290.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0290 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 T0290.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 T0290.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 T0290.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= 11.7742 sec, elapsed time= 24.0515 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 115 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -96.9653 # GDT_score(maxd=8,maxw=2.9)= -98.8072 # GDT_score(maxd=8,maxw=3.2)= -97.914 # GDT_score(maxd=8,maxw=3.5)= -96.6237 # GDT_score(maxd=10,maxw=3.8)= -97.0037 # GDT_score(maxd=10,maxw=4)= -96.0545 # GDT_score(maxd=10,maxw=4.2)= -94.9189 # GDT_score(maxd=12,maxw=4.3)= -96.1139 # GDT_score(maxd=12,maxw=4.5)= -94.9981 # GDT_score(maxd=12,maxw=4.7)= -93.6954 # GDT_score(maxd=14,maxw=5.2)= -91.9546 # GDT_score(maxd=14,maxw=5.5)= -89.3502 # 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 ARG A 1 37.935 45.836 13.553 1.00 0.00 ATOM 2 CA ARG A 1 36.970 46.656 12.771 1.00 0.00 ATOM 3 CB ARG A 1 37.378 46.702 11.298 1.00 0.00 ATOM 4 CG ARG A 1 37.282 45.370 10.585 1.00 0.00 ATOM 5 CD ARG A 1 37.737 45.476 9.136 1.00 0.00 ATOM 6 NE ARG A 1 39.154 45.810 9.015 1.00 0.00 ATOM 7 CZ ARG A 1 39.835 45.785 7.873 1.00 0.00 ATOM 8 NH1 ARG A 1 39.229 45.439 6.743 1.00 0.00 ATOM 9 NH2 ARG A 1 41.124 46.103 7.858 1.00 0.00 ATOM 10 O ARG A 1 34.594 46.940 12.726 1.00 0.00 ATOM 11 C ARG A 1 35.528 46.166 12.914 1.00 0.00 ATOM 12 N PRO A 2 35.324 44.873 13.265 1.00 0.00 ATOM 13 CA PRO A 2 33.954 44.400 13.407 1.00 0.00 ATOM 14 CB PRO A 2 34.044 42.966 13.826 1.00 0.00 ATOM 15 CG PRO A 2 35.483 42.785 14.289 1.00 0.00 ATOM 16 CD PRO A 2 36.233 43.662 13.331 1.00 0.00 ATOM 17 O PRO A 2 31.957 45.388 14.351 1.00 0.00 ATOM 18 C PRO A 2 33.153 45.149 14.471 1.00 0.00 ATOM 19 N ARG A 3 33.842 45.581 15.517 1.00 0.00 ATOM 20 CA ARG A 3 33.209 46.315 16.611 1.00 0.00 ATOM 21 CB ARG A 3 33.266 45.491 17.904 1.00 0.00 ATOM 22 CG ARG A 3 32.661 44.143 17.826 1.00 0.00 ATOM 23 CD ARG A 3 32.986 43.282 19.029 1.00 0.00 ATOM 24 NE ARG A 3 32.638 41.895 18.766 1.00 0.00 ATOM 25 CZ ARG A 3 31.501 41.319 19.102 1.00 0.00 ATOM 26 NH1 ARG A 3 30.574 41.991 19.790 1.00 0.00 ATOM 27 NH2 ARG A 3 31.305 40.045 18.771 1.00 0.00 ATOM 28 O ARG A 3 35.044 47.860 16.735 1.00 0.00 ATOM 29 C ARG A 3 33.823 47.697 16.760 1.00 0.00 ATOM 30 N CYS A 4 32.964 48.683 16.984 1.00 0.00 ATOM 31 CA CYS A 4 33.398 50.063 17.095 1.00 0.00 ATOM 32 CB CYS A 4 32.806 50.915 15.999 1.00 0.00 ATOM 33 SG CYS A 4 33.503 52.585 15.993 1.00 0.00 ATOM 34 O CYS A 4 31.760 50.114 18.863 1.00 0.00 ATOM 35 C CYS A 4 32.747 50.647 18.332 1.00 0.00 ATOM 36 N PHE A 5 33.370 51.742 18.845 1.00 0.00 ATOM 37 CA PHE A 5 32.971 52.414 20.082 1.00 0.00 ATOM 38 CB PHE A 5 33.897 52.142 21.270 1.00 0.00 ATOM 39 CG PHE A 5 35.273 52.726 21.110 1.00 0.00 ATOM 40 CD1 PHE A 5 35.556 54.002 21.562 1.00 0.00 ATOM 41 CD2 PHE A 5 36.283 51.995 20.510 1.00 0.00 ATOM 42 CE1 PHE A 5 36.822 54.537 21.416 1.00 0.00 ATOM 43 CE2 PHE A 5 37.549 52.530 20.363 1.00 0.00 ATOM 44 CZ PHE A 5 37.820 53.795 20.814 1.00 0.00 ATOM 45 O PHE A 5 33.797 54.572 19.480 1.00 0.00 ATOM 46 C PHE A 5 32.935 53.917 20.067 1.00 0.00 ATOM 47 N PHE A 6 31.892 54.453 20.763 1.00 0.00 ATOM 48 CA PHE A 6 31.731 55.892 20.951 1.00 0.00 ATOM 49 CB PHE A 6 30.514 56.447 20.166 1.00 0.00 ATOM 50 CG PHE A 6 30.619 56.409 18.661 1.00 0.00 ATOM 51 CD1 PHE A 6 30.557 55.204 17.954 1.00 0.00 ATOM 52 CD2 PHE A 6 30.675 57.603 17.954 1.00 0.00 ATOM 53 CE1 PHE A 6 30.548 55.196 16.577 1.00 0.00 ATOM 54 CE2 PHE A 6 30.662 57.612 16.540 1.00 0.00 ATOM 55 CZ PHE A 6 30.597 56.400 15.867 1.00 0.00 ATOM 56 O PHE A 6 30.700 55.727 23.095 1.00 0.00 ATOM 57 C PHE A 6 31.600 56.230 22.432 1.00 0.00 ATOM 58 N ASP A 7 32.509 57.054 22.947 1.00 0.00 ATOM 59 CA ASP A 7 32.449 57.503 24.340 1.00 0.00 ATOM 60 CB ASP A 7 33.856 57.624 24.931 1.00 0.00 ATOM 61 CG ASP A 7 33.841 58.028 26.392 1.00 0.00 ATOM 62 OD1 ASP A 7 32.740 58.279 26.927 1.00 0.00 ATOM 63 OD2 ASP A 7 34.928 58.092 27.002 1.00 0.00 ATOM 64 O ASP A 7 32.234 59.757 23.548 1.00 0.00 ATOM 65 C ASP A 7 31.751 58.850 24.230 1.00 0.00 ATOM 66 N ILE A 8 30.609 58.978 24.897 1.00 0.00 ATOM 67 CA ILE A 8 29.817 60.198 24.801 1.00 0.00 ATOM 68 CB ILE A 8 28.361 59.909 24.393 1.00 0.00 ATOM 69 CG1 ILE A 8 28.316 59.264 23.004 1.00 0.00 ATOM 70 CG2 ILE A 8 27.551 61.197 24.351 1.00 0.00 ATOM 71 CD1 ILE A 8 26.952 58.729 22.624 1.00 0.00 ATOM 72 O ILE A 8 29.704 60.432 27.181 1.00 0.00 ATOM 73 C ILE A 8 29.754 60.999 26.093 1.00 0.00 ATOM 74 N ALA A 9 29.762 62.324 25.959 1.00 0.00 ATOM 75 CA ALA A 9 29.645 63.217 27.104 1.00 0.00 ATOM 76 CB ALA A 9 30.891 64.074 27.263 1.00 0.00 ATOM 77 O ALA A 9 28.165 64.521 25.734 1.00 0.00 ATOM 78 C ALA A 9 28.447 64.123 26.866 1.00 0.00 ATOM 79 N ILE A 10 27.718 64.459 27.949 1.00 0.00 ATOM 80 CA ILE A 10 26.582 65.366 27.907 1.00 0.00 ATOM 81 CB ILE A 10 25.297 64.709 28.463 1.00 0.00 ATOM 82 CG1 ILE A 10 24.904 63.500 27.608 1.00 0.00 ATOM 83 CG2 ILE A 10 24.157 65.717 28.466 1.00 0.00 ATOM 84 CD1 ILE A 10 23.650 62.795 28.096 1.00 0.00 ATOM 85 O ILE A 10 27.258 66.396 29.935 1.00 0.00 ATOM 86 C ILE A 10 26.997 66.557 28.750 1.00 0.00 ATOM 87 N ASN A 11 27.206 67.759 28.096 1.00 0.00 ATOM 88 CA ASN A 11 27.681 68.902 28.831 1.00 0.00 ATOM 89 CB ASN A 11 26.603 69.387 29.802 1.00 0.00 ATOM 90 CG ASN A 11 25.365 69.896 29.090 1.00 0.00 ATOM 91 ND2 ASN A 11 24.221 69.807 29.759 1.00 0.00 ATOM 92 OD1 ASN A 11 25.438 70.361 27.954 1.00 0.00 ATOM 93 O ASN A 11 29.089 68.986 30.784 1.00 0.00 ATOM 94 C ASN A 11 28.958 68.603 29.621 1.00 0.00 ATOM 95 N ASN A 12 29.951 67.878 28.966 1.00 0.00 ATOM 96 CA ASN A 12 31.224 67.537 29.580 1.00 0.00 ATOM 97 CB ASN A 12 31.726 68.693 30.449 1.00 0.00 ATOM 98 CG ASN A 12 32.072 69.924 29.637 1.00 0.00 ATOM 99 ND2 ASN A 12 31.926 71.095 30.248 1.00 0.00 ATOM 100 OD1 ASN A 12 32.466 69.824 28.474 1.00 0.00 ATOM 101 O ASN A 12 32.291 65.705 30.662 1.00 0.00 ATOM 102 C ASN A 12 31.236 66.300 30.456 1.00 0.00 ATOM 103 N GLN A 13 30.078 65.912 30.980 1.00 0.00 ATOM 104 CA GLN A 13 30.000 64.734 31.841 1.00 0.00 ATOM 105 CB GLN A 13 28.808 64.863 32.793 1.00 0.00 ATOM 106 CG GLN A 13 28.683 63.721 33.788 1.00 0.00 ATOM 107 CD GLN A 13 27.503 63.893 34.725 1.00 0.00 ATOM 108 OE1 GLN A 13 26.804 64.903 34.680 1.00 0.00 ATOM 109 NE2 GLN A 13 27.281 62.900 35.580 1.00 0.00 ATOM 110 O GLN A 13 28.887 63.312 30.262 1.00 0.00 ATOM 111 C GLN A 13 29.826 63.442 31.049 1.00 0.00 ATOM 112 N PRO A 14 30.741 62.495 31.261 1.00 0.00 ATOM 113 CA PRO A 14 30.720 61.207 30.569 1.00 0.00 ATOM 114 CB PRO A 14 31.930 60.463 31.134 1.00 0.00 ATOM 115 CG PRO A 14 32.849 61.542 31.600 1.00 0.00 ATOM 116 CD PRO A 14 31.969 62.633 32.142 1.00 0.00 ATOM 117 O PRO A 14 29.125 60.040 31.937 1.00 0.00 ATOM 118 C PRO A 14 29.441 60.403 30.805 1.00 0.00 ATOM 119 N ALA A 15 28.708 60.155 29.724 1.00 0.00 ATOM 120 CA ALA A 15 27.469 59.385 29.764 1.00 0.00 ATOM 121 CB ALA A 15 26.548 59.802 28.628 1.00 0.00 ATOM 122 O ALA A 15 27.074 57.049 30.170 1.00 0.00 ATOM 123 C ALA A 15 27.790 57.897 29.638 1.00 0.00 ATOM 124 N GLY A 16 28.865 57.584 28.920 1.00 0.00 ATOM 125 CA GLY A 16 29.261 56.200 28.752 1.00 0.00 ATOM 126 O GLY A 16 29.744 56.713 26.491 1.00 0.00 ATOM 127 C GLY A 16 29.668 55.843 27.337 1.00 0.00 ATOM 128 N ARG A 17 29.887 54.541 27.093 1.00 0.00 ATOM 129 CA ARG A 17 30.277 54.055 25.783 1.00 0.00 ATOM 130 CB ARG A 17 31.705 53.405 25.878 1.00 0.00 ATOM 131 CG ARG A 17 32.809 54.384 26.301 1.00 0.00 ATOM 132 CD ARG A 17 34.214 53.829 26.066 1.00 0.00 ATOM 133 NE ARG A 17 35.246 54.736 26.571 1.00 0.00 ATOM 134 CZ ARG A 17 36.552 54.475 26.556 1.00 0.00 ATOM 135 NH1 ARG A 17 36.999 53.329 26.059 1.00 0.00 ATOM 136 NH2 ARG A 17 37.412 55.356 27.050 1.00 0.00 ATOM 137 O ARG A 17 28.542 52.396 25.553 1.00 0.00 ATOM 138 C ARG A 17 29.211 53.274 25.008 1.00 0.00 ATOM 139 N VAL A 18 29.065 53.611 23.730 1.00 0.00 ATOM 140 CA VAL A 18 28.130 52.921 22.847 1.00 0.00 ATOM 141 CB VAL A 18 27.285 53.889 22.011 1.00 0.00 ATOM 142 CG1 VAL A 18 26.241 53.107 21.205 1.00 0.00 ATOM 143 CG2 VAL A 18 26.568 54.885 22.875 1.00 0.00 ATOM 144 O VAL A 18 29.887 52.507 21.257 1.00 0.00 ATOM 145 C VAL A 18 28.988 52.025 21.944 1.00 0.00 ATOM 146 N VAL A 19 28.764 50.718 22.004 1.00 0.00 ATOM 147 CA VAL A 19 29.507 49.791 21.158 1.00 0.00 ATOM 148 CB VAL A 19 30.079 48.614 21.971 1.00 0.00 ATOM 149 CG1 VAL A 19 30.802 47.637 21.055 1.00 0.00 ATOM 150 CG2 VAL A 19 31.065 49.117 23.014 1.00 0.00 ATOM 151 O VAL A 19 27.443 48.793 20.419 1.00 0.00 ATOM 152 C VAL A 19 28.553 49.245 20.098 1.00 0.00 ATOM 153 N PHE A 20 28.987 49.308 18.843 1.00 0.00 ATOM 154 CA PHE A 20 28.189 48.832 17.718 1.00 0.00 ATOM 155 CB PHE A 20 28.087 49.950 16.711 1.00 0.00 ATOM 156 CG PHE A 20 27.104 51.053 17.030 1.00 0.00 ATOM 157 CD1 PHE A 20 27.484 52.178 17.753 1.00 0.00 ATOM 158 CD2 PHE A 20 25.785 50.938 16.609 1.00 0.00 ATOM 159 CE1 PHE A 20 26.560 53.176 18.048 1.00 0.00 ATOM 160 CE2 PHE A 20 24.862 51.953 16.856 1.00 0.00 ATOM 161 CZ PHE A 20 25.266 53.071 17.576 1.00 0.00 ATOM 162 O PHE A 20 30.101 47.792 16.774 1.00 0.00 ATOM 163 C PHE A 20 28.885 47.739 16.941 1.00 0.00 ATOM 164 N GLU A 21 28.131 46.732 16.496 1.00 0.00 ATOM 165 CA GLU A 21 28.711 45.707 15.623 1.00 0.00 ATOM 166 CB GLU A 21 28.126 44.358 16.050 1.00 0.00 ATOM 167 CG GLU A 21 28.633 43.177 15.237 1.00 0.00 ATOM 168 CD GLU A 21 28.021 41.862 15.676 1.00 0.00 ATOM 169 OE1 GLU A 21 27.199 41.875 16.617 1.00 0.00 ATOM 170 OE2 GLU A 21 28.365 40.820 15.080 1.00 0.00 ATOM 171 O GLU A 21 27.151 46.347 13.917 1.00 0.00 ATOM 172 C GLU A 21 28.321 46.070 14.190 1.00 0.00 ATOM 173 N LEU A 22 29.310 46.125 13.300 1.00 0.00 ATOM 174 CA LEU A 22 29.100 46.468 11.892 1.00 0.00 ATOM 175 CB LEU A 22 30.271 47.292 11.349 1.00 0.00 ATOM 176 CG LEU A 22 30.514 48.647 12.015 1.00 0.00 ATOM 177 CD1 LEU A 22 31.757 49.313 11.445 1.00 0.00 ATOM 178 CD2 LEU A 22 29.329 49.577 11.789 1.00 0.00 ATOM 179 O LEU A 22 29.744 44.254 11.173 1.00 0.00 ATOM 180 C LEU A 22 28.952 45.189 11.050 1.00 0.00 ATOM 181 N PHE A 23 27.941 45.162 10.186 1.00 0.00 ATOM 182 CA PHE A 23 27.690 44.004 9.325 1.00 0.00 ATOM 183 CB PHE A 23 26.196 43.847 9.036 1.00 0.00 ATOM 184 CG PHE A 23 25.377 43.497 10.245 1.00 0.00 ATOM 185 CD1 PHE A 23 24.611 44.456 10.884 1.00 0.00 ATOM 186 CD2 PHE A 23 25.372 42.205 10.745 1.00 0.00 ATOM 187 CE1 PHE A 23 23.857 44.133 11.996 1.00 0.00 ATOM 188 CE2 PHE A 23 24.620 41.882 11.857 1.00 0.00 ATOM 189 CZ PHE A 23 23.864 42.840 12.482 1.00 0.00 ATOM 190 O PHE A 23 27.714 44.501 6.977 1.00 0.00 ATOM 191 C PHE A 23 28.366 44.211 7.993 1.00 0.00 ATOM 192 N SER A 24 29.754 44.101 8.027 1.00 0.00 ATOM 193 CA SER A 24 30.556 44.323 6.842 1.00 0.00 ATOM 194 CB SER A 24 32.049 44.242 7.172 1.00 0.00 ATOM 195 OG SER A 24 32.386 42.987 7.734 1.00 0.00 ATOM 196 O SER A 24 30.394 43.625 4.552 1.00 0.00 ATOM 197 C SER A 24 30.218 43.328 5.736 1.00 0.00 ATOM 198 N ASP A 25 29.724 42.171 6.103 1.00 0.00 ATOM 199 CA ASP A 25 29.370 41.151 5.123 1.00 0.00 ATOM 200 CB ASP A 25 29.232 39.775 5.843 1.00 0.00 ATOM 201 CG ASP A 25 28.222 39.811 6.980 1.00 0.00 ATOM 202 OD1 ASP A 25 28.321 40.703 7.848 1.00 0.00 ATOM 203 OD2 ASP A 25 27.338 38.921 7.018 1.00 0.00 ATOM 204 O ASP A 25 27.861 40.810 3.288 1.00 0.00 ATOM 205 C ASP A 25 28.094 41.431 4.323 1.00 0.00 ATOM 206 N VAL A 26 27.287 42.375 4.793 1.00 0.00 ATOM 207 CA VAL A 26 26.036 42.718 4.136 1.00 0.00 ATOM 208 CB VAL A 26 24.808 42.739 5.105 1.00 0.00 ATOM 209 CG1 VAL A 26 24.591 41.336 5.740 1.00 0.00 ATOM 210 CG2 VAL A 26 25.037 43.780 6.229 1.00 0.00 ATOM 211 O VAL A 26 25.546 44.282 2.372 1.00 0.00 ATOM 212 C VAL A 26 26.081 44.093 3.465 1.00 0.00 ATOM 213 N CYS A 27 26.754 45.043 4.106 1.00 0.00 ATOM 214 CA CYS A 27 26.885 46.392 3.571 1.00 0.00 ATOM 215 CB CYS A 27 25.973 47.357 4.334 1.00 0.00 ATOM 216 SG CYS A 27 24.211 46.973 4.213 1.00 0.00 ATOM 217 O CYS A 27 28.661 47.674 4.525 1.00 0.00 ATOM 218 C CYS A 27 28.322 46.856 3.664 1.00 0.00 ATOM 219 N PRO A 28 29.254 46.330 2.815 1.00 0.00 ATOM 220 CA PRO A 28 30.686 46.574 2.963 1.00 0.00 ATOM 221 CB PRO A 28 31.341 45.638 1.958 1.00 0.00 ATOM 222 CG PRO A 28 30.276 45.322 0.995 1.00 0.00 ATOM 223 CD PRO A 28 28.987 45.308 1.766 1.00 0.00 ATOM 224 O PRO A 28 31.876 48.563 3.509 1.00 0.00 ATOM 225 C PRO A 28 31.062 48.040 2.760 1.00 0.00 ATOM 226 N LYS A 29 30.558 48.830 1.715 1.00 0.00 ATOM 227 CA LYS A 29 30.892 50.239 1.502 1.00 0.00 ATOM 228 CB LYS A 29 30.181 50.766 0.253 1.00 0.00 ATOM 229 CG LYS A 29 30.750 50.240 -1.053 1.00 0.00 ATOM 230 CD LYS A 29 30.001 50.807 -2.249 1.00 0.00 ATOM 231 CE LYS A 29 30.548 50.252 -3.555 1.00 0.00 ATOM 232 NZ LYS A 29 29.809 50.782 -4.735 1.00 0.00 ATOM 233 O LYS A 29 31.216 51.923 3.183 1.00 0.00 ATOM 234 C LYS A 29 30.455 51.086 2.694 1.00 0.00 ATOM 235 N THR A 30 29.222 50.877 3.149 1.00 0.00 ATOM 236 CA THR A 30 28.680 51.626 4.277 1.00 0.00 ATOM 237 CB THR A 30 27.213 51.243 4.553 1.00 0.00 ATOM 238 CG2 THR A 30 26.675 52.023 5.742 1.00 0.00 ATOM 239 OG1 THR A 30 26.414 51.541 3.402 1.00 0.00 ATOM 240 O THR A 30 29.897 52.302 6.236 1.00 0.00 ATOM 241 C THR A 30 29.516 51.378 5.518 1.00 0.00 ATOM 242 N CYS A 31 29.853 50.097 5.804 1.00 0.00 ATOM 243 CA CYS A 31 30.635 49.773 7.003 1.00 0.00 ATOM 244 CB CYS A 31 30.724 48.253 7.146 1.00 0.00 ATOM 245 SG CYS A 31 29.164 47.451 7.584 1.00 0.00 ATOM 246 O CYS A 31 32.598 50.819 7.921 1.00 0.00 ATOM 247 C CYS A 31 32.051 50.347 6.924 1.00 0.00 ATOM 248 N GLU A 32 32.646 50.282 5.736 1.00 0.00 ATOM 249 CA GLU A 32 33.987 50.802 5.534 1.00 0.00 ATOM 250 CB GLU A 32 34.465 50.507 4.111 1.00 0.00 ATOM 251 CG GLU A 32 35.895 50.942 3.833 1.00 0.00 ATOM 252 CD GLU A 32 36.351 50.583 2.434 1.00 0.00 ATOM 253 OE1 GLU A 32 35.552 49.984 1.683 1.00 0.00 ATOM 254 OE2 GLU A 32 37.509 50.901 2.087 1.00 0.00 ATOM 255 O GLU A 32 34.917 52.844 6.393 1.00 0.00 ATOM 256 C GLU A 32 34.004 52.311 5.751 1.00 0.00 ATOM 257 N ASN A 33 32.987 52.993 5.228 1.00 0.00 ATOM 258 CA ASN A 33 32.883 54.435 5.383 1.00 0.00 ATOM 259 CB ASN A 33 31.622 54.960 4.693 1.00 0.00 ATOM 260 CG ASN A 33 31.510 56.469 4.753 1.00 0.00 ATOM 261 ND2 ASN A 33 30.475 56.958 5.428 1.00 0.00 ATOM 262 OD1 ASN A 33 32.343 57.187 4.199 1.00 0.00 ATOM 263 O ASN A 33 33.580 55.597 7.358 1.00 0.00 ATOM 264 C ASN A 33 32.813 54.767 6.868 1.00 0.00 ATOM 265 N PHE A 34 31.930 54.072 7.587 1.00 0.00 ATOM 266 CA PHE A 34 31.747 54.302 9.016 1.00 0.00 ATOM 267 CB PHE A 34 30.647 53.395 9.569 1.00 0.00 ATOM 268 CG PHE A 34 30.427 53.543 11.046 1.00 0.00 ATOM 269 CD1 PHE A 34 29.691 54.602 11.549 1.00 0.00 ATOM 270 CD2 PHE A 34 30.954 52.621 11.934 1.00 0.00 ATOM 271 CE1 PHE A 34 29.487 54.736 12.910 1.00 0.00 ATOM 272 CE2 PHE A 34 30.750 52.756 13.296 1.00 0.00 ATOM 273 CZ PHE A 34 30.021 53.807 13.784 1.00 0.00 ATOM 274 O PHE A 34 33.349 54.761 10.747 1.00 0.00 ATOM 275 C PHE A 34 32.979 53.992 9.857 1.00 0.00 ATOM 276 N ARG A 35 33.655 52.836 9.603 1.00 0.00 ATOM 277 CA ARG A 35 34.850 52.446 10.336 1.00 0.00 ATOM 278 CB ARG A 35 35.556 51.340 9.298 1.00 0.00 ATOM 279 CG ARG A 35 36.582 50.338 9.801 1.00 0.00 ATOM 280 CD ARG A 35 37.160 49.568 8.620 1.00 0.00 ATOM 281 NE ARG A 35 36.125 48.800 7.933 1.00 0.00 ATOM 282 CZ ARG A 35 36.184 48.427 6.658 1.00 0.00 ATOM 283 NH1 ARG A 35 37.235 48.754 5.915 1.00 0.00 ATOM 284 NH2 ARG A 35 35.190 47.724 6.125 1.00 0.00 ATOM 285 O ARG A 35 36.636 53.871 11.076 1.00 0.00 ATOM 286 C ARG A 35 35.959 53.482 10.126 1.00 0.00 ATOM 287 N CYS A 36 36.127 53.939 8.884 1.00 0.00 ATOM 288 CA CYS A 36 37.146 54.942 8.567 1.00 0.00 ATOM 289 CB CYS A 36 37.211 55.181 7.059 1.00 0.00 ATOM 290 SG CYS A 36 37.859 53.788 6.107 1.00 0.00 ATOM 291 O CYS A 36 37.752 56.953 9.742 1.00 0.00 ATOM 292 C CYS A 36 36.842 56.266 9.280 1.00 0.00 ATOM 293 N LEU A 37 35.560 56.622 9.375 1.00 0.00 ATOM 294 CA LEU A 37 35.167 57.856 10.054 1.00 0.00 ATOM 295 CB LEU A 37 33.674 58.119 9.863 1.00 0.00 ATOM 296 CG LEU A 37 33.218 58.437 8.438 1.00 0.00 ATOM 297 CD1 LEU A 37 31.700 58.521 8.363 1.00 0.00 ATOM 298 CD2 LEU A 37 33.791 59.768 7.975 1.00 0.00 ATOM 299 O LEU A 37 35.893 58.825 12.122 1.00 0.00 ATOM 300 C LEU A 37 35.507 57.809 11.544 1.00 0.00 ATOM 301 N CYS A 38 35.382 56.633 12.156 1.00 0.00 ATOM 302 CA CYS A 38 35.694 56.474 13.584 1.00 0.00 ATOM 303 CB CYS A 38 35.054 55.197 14.128 1.00 0.00 ATOM 304 SG CYS A 38 33.257 55.124 13.971 1.00 0.00 ATOM 305 O CYS A 38 37.629 57.182 14.837 1.00 0.00 ATOM 306 C CYS A 38 37.204 56.578 13.850 1.00 0.00 ATOM 307 N THR A 39 38.012 56.016 12.951 1.00 0.00 ATOM 308 CA THR A 39 39.461 56.030 13.121 1.00 0.00 ATOM 309 CB THR A 39 40.117 54.807 12.451 1.00 0.00 ATOM 310 CG2 THR A 39 39.547 53.518 13.029 1.00 0.00 ATOM 311 OG1 THR A 39 39.865 54.836 11.042 1.00 0.00 ATOM 312 O THR A 39 41.287 57.577 12.942 1.00 0.00 ATOM 313 C THR A 39 40.174 57.244 12.527 1.00 0.00 ATOM 314 N GLY A 40 39.536 57.906 11.544 1.00 0.00 ATOM 315 CA GLY A 40 40.162 59.056 10.918 1.00 0.00 ATOM 316 O GLY A 40 41.920 59.538 9.376 1.00 0.00 ATOM 317 C GLY A 40 41.235 58.665 9.912 1.00 0.00 ATOM 318 N GLU A 41 41.362 57.389 9.615 1.00 0.00 ATOM 319 CA GLU A 41 42.456 56.924 8.756 1.00 0.00 ATOM 320 CB GLU A 41 42.695 55.434 9.000 1.00 0.00 ATOM 321 CG GLU A 41 43.171 55.103 10.408 1.00 0.00 ATOM 322 CD GLU A 41 43.387 53.616 10.615 1.00 0.00 ATOM 323 OE1 GLU A 41 43.113 52.839 9.675 1.00 0.00 ATOM 324 OE2 GLU A 41 43.832 53.230 11.716 1.00 0.00 ATOM 325 O GLU A 41 43.336 56.966 6.516 1.00 0.00 ATOM 326 C GLU A 41 42.384 57.239 7.257 1.00 0.00 ATOM 327 N LYS A 42 41.267 57.816 6.815 1.00 0.00 ATOM 328 CA LYS A 42 41.108 58.181 5.407 1.00 0.00 ATOM 329 CB LYS A 42 39.885 57.170 5.070 1.00 0.00 ATOM 330 CG LYS A 42 39.566 57.072 3.577 1.00 0.00 ATOM 331 CD LYS A 42 40.812 56.980 2.699 1.00 0.00 ATOM 332 CE LYS A 42 40.514 56.408 1.324 1.00 0.00 ATOM 333 NZ LYS A 42 41.787 56.339 0.545 1.00 0.00 ATOM 334 O LYS A 42 41.562 59.811 3.687 1.00 0.00 ATOM 335 C LYS A 42 41.511 59.581 4.906 1.00 0.00 ATOM 336 N GLY A 43 41.785 60.469 5.839 1.00 0.00 ATOM 337 CA GLY A 43 42.226 61.827 5.492 1.00 0.00 ATOM 338 O GLY A 43 40.319 62.903 6.472 1.00 0.00 ATOM 339 C GLY A 43 41.156 62.905 5.568 1.00 0.00 ATOM 340 N THR A 44 41.209 63.845 4.622 1.00 0.00 ATOM 341 CA THR A 44 40.257 64.958 4.562 1.00 0.00 ATOM 342 CB THR A 44 40.961 66.297 4.268 1.00 0.00 ATOM 343 CG2 THR A 44 42.030 66.578 5.313 1.00 0.00 ATOM 344 OG1 THR A 44 41.578 66.242 2.976 1.00 0.00 ATOM 345 O THR A 44 39.412 64.080 2.492 1.00 0.00 ATOM 346 C THR A 44 39.191 64.779 3.485 1.00 0.00 ATOM 347 N GLY A 45 38.054 65.448 3.673 1.00 0.00 ATOM 348 CA GLY A 45 36.961 65.361 2.721 1.00 0.00 ATOM 349 O GLY A 45 37.922 66.986 1.246 1.00 0.00 ATOM 350 C GLY A 45 37.307 65.930 1.355 1.00 0.00 ATOM 351 N LYS A 46 36.895 65.215 0.314 1.00 0.00 ATOM 352 CA LYS A 46 37.129 65.595 -1.076 1.00 0.00 ATOM 353 CB LYS A 46 36.505 64.567 -2.023 1.00 0.00 ATOM 354 CG LYS A 46 36.714 64.874 -3.497 1.00 0.00 ATOM 355 CD LYS A 46 36.132 63.777 -4.376 1.00 0.00 ATOM 356 CE LYS A 46 36.299 64.106 -5.849 1.00 0.00 ATOM 357 NZ LYS A 46 35.713 63.053 -6.725 1.00 0.00 ATOM 358 O LYS A 46 37.138 67.856 -1.905 1.00 0.00 ATOM 359 C LYS A 46 36.488 66.949 -1.395 1.00 0.00 ATOM 360 N SER A 47 35.208 67.081 -1.063 1.00 0.00 ATOM 361 CA SER A 47 34.456 68.300 -1.318 1.00 0.00 ATOM 362 CB SER A 47 32.967 67.993 -1.486 1.00 0.00 ATOM 363 OG SER A 47 32.747 67.117 -2.580 1.00 0.00 ATOM 364 O SER A 47 34.654 70.480 -0.468 1.00 0.00 ATOM 365 C SER A 47 34.621 69.295 -0.165 1.00 0.00 ATOM 366 N THR A 48 34.581 68.868 1.192 1.00 0.00 ATOM 367 CA THR A 48 34.585 69.800 2.329 1.00 0.00 ATOM 368 CB THR A 48 33.934 69.220 3.599 1.00 0.00 ATOM 369 CG2 THR A 48 32.476 68.872 3.335 1.00 0.00 ATOM 370 OG1 THR A 48 34.630 68.032 3.997 1.00 0.00 ATOM 371 O THR A 48 36.201 71.219 3.415 1.00 0.00 ATOM 372 C THR A 48 36.007 70.196 2.751 1.00 0.00 ATOM 373 N GLN A 49 36.957 69.333 2.445 1.00 0.00 ATOM 374 CA GLN A 49 38.335 69.569 2.838 1.00 0.00 ATOM 375 CB GLN A 49 38.861 70.812 2.072 1.00 0.00 ATOM 376 CG GLN A 49 38.541 70.816 0.603 1.00 0.00 ATOM 377 CD GLN A 49 39.261 71.892 -0.148 1.00 0.00 ATOM 378 OE1 GLN A 49 39.267 73.041 0.285 1.00 0.00 ATOM 379 NE2 GLN A 49 39.858 71.540 -1.286 1.00 0.00 ATOM 380 O GLN A 49 39.215 70.463 4.888 1.00 0.00 ATOM 381 C GLN A 49 38.434 69.672 4.344 1.00 0.00 ATOM 382 N LYS A 50 37.594 68.887 5.013 1.00 0.00 ATOM 383 CA LYS A 50 37.698 68.830 6.482 1.00 0.00 ATOM 384 CB LYS A 50 36.381 69.270 7.122 1.00 0.00 ATOM 385 CG LYS A 50 36.051 70.740 6.917 1.00 0.00 ATOM 386 CD LYS A 50 34.757 71.118 7.618 1.00 0.00 ATOM 387 CE LYS A 50 34.450 72.600 7.450 1.00 0.00 ATOM 388 NZ LYS A 50 33.211 72.995 8.171 1.00 0.00 ATOM 389 O LYS A 50 37.613 66.459 6.109 1.00 0.00 ATOM 390 C LYS A 50 37.961 67.369 6.865 1.00 0.00 ATOM 391 N PRO A 51 38.565 67.126 8.049 1.00 0.00 ATOM 392 CA PRO A 51 38.877 65.774 8.531 1.00 0.00 ATOM 393 CB PRO A 51 39.379 65.998 9.959 1.00 0.00 ATOM 394 CG PRO A 51 39.943 67.378 9.945 1.00 0.00 ATOM 395 CD PRO A 51 39.034 68.193 9.067 1.00 0.00 ATOM 396 O PRO A 51 36.606 65.201 9.013 1.00 0.00 ATOM 397 C PRO A 51 37.673 64.851 8.508 1.00 0.00 ATOM 398 N LEU A 52 37.859 63.673 7.919 1.00 0.00 ATOM 399 CA LEU A 52 36.805 62.671 7.839 1.00 0.00 ATOM 400 CB LEU A 52 37.024 61.751 6.639 1.00 0.00 ATOM 401 CG LEU A 52 36.960 62.406 5.259 1.00 0.00 ATOM 402 CD1 LEU A 52 37.233 61.387 4.164 1.00 0.00 ATOM 403 CD2 LEU A 52 35.587 63.011 5.014 1.00 0.00 ATOM 404 O LEU A 52 37.357 60.721 9.122 1.00 0.00 ATOM 405 C LEU A 52 36.819 61.834 9.114 1.00 0.00 ATOM 406 N HIS A 53 36.267 62.378 10.198 1.00 0.00 ATOM 407 CA HIS A 53 36.230 61.636 11.444 1.00 0.00 ATOM 408 CB HIS A 53 37.486 61.806 12.294 1.00 0.00 ATOM 409 CG HIS A 53 37.605 63.152 12.909 1.00 0.00 ATOM 410 CD2 HIS A 53 37.665 63.526 14.212 1.00 0.00 ATOM 411 ND1 HIS A 53 37.617 64.315 12.166 1.00 0.00 ATOM 412 CE1 HIS A 53 37.713 65.350 12.985 1.00 0.00 ATOM 413 NE2 HIS A 53 37.745 64.898 14.225 1.00 0.00 ATOM 414 O HIS A 53 34.354 63.019 11.916 1.00 0.00 ATOM 415 C HIS A 53 35.040 62.071 12.264 1.00 0.00 ATOM 416 N TYR A 54 34.711 61.331 13.409 1.00 0.00 ATOM 417 CA TYR A 54 33.544 61.661 14.219 1.00 0.00 ATOM 418 CB TYR A 54 32.837 60.393 14.706 1.00 0.00 ATOM 419 CG TYR A 54 31.884 59.798 13.694 1.00 0.00 ATOM 420 CD1 TYR A 54 32.231 58.663 12.973 1.00 0.00 ATOM 421 CD2 TYR A 54 30.641 60.372 13.467 1.00 0.00 ATOM 422 CE1 TYR A 54 31.365 58.110 12.047 1.00 0.00 ATOM 423 CE2 TYR A 54 29.763 59.834 12.545 1.00 0.00 ATOM 424 CZ TYR A 54 30.134 58.695 11.834 1.00 0.00 ATOM 425 OH TYR A 54 29.271 58.147 10.914 1.00 0.00 ATOM 426 O TYR A 54 33.115 62.725 16.299 1.00 0.00 ATOM 427 C TYR A 54 33.971 62.281 15.535 1.00 0.00 ATOM 428 N LYS A 55 35.271 62.294 15.822 1.00 0.00 ATOM 429 CA LYS A 55 35.760 62.852 17.082 1.00 0.00 ATOM 430 CB LYS A 55 37.287 62.765 17.147 1.00 0.00 ATOM 431 CG LYS A 55 37.884 63.302 18.438 1.00 0.00 ATOM 432 CD LYS A 55 39.389 63.091 18.479 1.00 0.00 ATOM 433 CE LYS A 55 39.993 63.662 19.752 1.00 0.00 ATOM 434 NZ LYS A 55 41.439 63.333 19.876 1.00 0.00 ATOM 435 O LYS A 55 35.759 65.125 16.332 1.00 0.00 ATOM 436 C LYS A 55 35.377 64.318 17.181 1.00 0.00 ATOM 437 N SER A 56 34.566 64.722 18.264 1.00 0.00 ATOM 438 CA SER A 56 34.164 66.101 18.463 1.00 0.00 ATOM 439 CB SER A 56 35.346 67.011 17.972 1.00 0.00 ATOM 440 OG SER A 56 35.251 67.226 16.578 1.00 0.00 ATOM 441 O SER A 56 32.246 67.496 18.302 1.00 0.00 ATOM 442 C SER A 56 32.798 66.461 17.922 1.00 0.00 ATOM 443 N CYS A 57 32.255 65.650 17.012 1.00 0.00 ATOM 444 CA CYS A 57 30.928 65.931 16.472 1.00 0.00 ATOM 445 CB CYS A 57 30.660 64.848 15.409 1.00 0.00 ATOM 446 SG CYS A 57 31.766 64.957 13.968 1.00 0.00 ATOM 447 O CYS A 57 30.164 65.207 18.639 1.00 0.00 ATOM 448 C CYS A 57 29.861 65.687 17.542 1.00 0.00 ATOM 449 N LEU A 58 28.611 65.987 17.213 1.00 0.00 ATOM 450 CA LEU A 58 27.524 65.869 18.176 1.00 0.00 ATOM 451 CB LEU A 58 26.992 67.292 18.530 1.00 0.00 ATOM 452 CG LEU A 58 28.036 68.307 19.024 1.00 0.00 ATOM 453 CD1 LEU A 58 27.369 69.652 19.289 1.00 0.00 ATOM 454 CD2 LEU A 58 28.703 67.786 20.296 1.00 0.00 ATOM 455 O LEU A 58 26.200 64.671 16.540 1.00 0.00 ATOM 456 C LEU A 58 26.296 65.091 17.697 1.00 0.00 ATOM 457 N PHE A 59 25.378 64.866 18.633 1.00 0.00 ATOM 458 CA PHE A 59 24.092 64.253 18.329 1.00 0.00 ATOM 459 CB PHE A 59 23.741 63.213 19.395 1.00 0.00 ATOM 460 CG PHE A 59 24.683 62.044 19.436 1.00 0.00 ATOM 461 CD1 PHE A 59 25.813 62.076 20.233 1.00 0.00 ATOM 462 CD2 PHE A 59 24.440 60.912 18.675 1.00 0.00 ATOM 463 CE1 PHE A 59 26.681 61.001 20.272 1.00 0.00 ATOM 464 CE2 PHE A 59 25.308 59.837 18.715 1.00 0.00 ATOM 465 CZ PHE A 59 26.424 59.878 19.507 1.00 0.00 ATOM 466 O PHE A 59 22.817 65.974 19.422 1.00 0.00 ATOM 467 C PHE A 59 23.204 65.488 18.357 1.00 0.00 ATOM 468 N HIS A 60 22.971 66.031 17.097 1.00 0.00 ATOM 469 CA HIS A 60 22.194 67.256 16.931 1.00 0.00 ATOM 470 CB HIS A 60 22.643 67.962 15.618 1.00 0.00 ATOM 471 CG HIS A 60 22.336 67.160 14.390 1.00 0.00 ATOM 472 CD2 HIS A 60 22.942 66.070 13.863 1.00 0.00 ATOM 473 ND1 HIS A 60 21.257 67.429 13.575 1.00 0.00 ATOM 474 CE1 HIS A 60 21.209 66.537 12.600 1.00 0.00 ATOM 475 NE2 HIS A 60 22.221 65.700 12.753 1.00 0.00 ATOM 476 O HIS A 60 19.952 68.102 16.884 1.00 0.00 ATOM 477 C HIS A 60 20.672 67.106 16.881 1.00 0.00 ATOM 478 N ARG A 61 20.188 65.870 16.814 1.00 0.00 ATOM 479 CA ARG A 61 18.755 65.613 16.741 1.00 0.00 ATOM 480 CB ARG A 61 18.321 65.417 15.288 1.00 0.00 ATOM 481 CG ARG A 61 16.829 65.194 15.108 1.00 0.00 ATOM 482 CD ARG A 61 16.463 65.061 13.638 1.00 0.00 ATOM 483 NE ARG A 61 15.035 64.818 13.451 1.00 0.00 ATOM 484 CZ ARG A 61 14.439 64.750 12.265 1.00 0.00 ATOM 485 NH1 ARG A 61 13.133 64.525 12.191 1.00 0.00 ATOM 486 NH2 ARG A 61 15.147 64.907 11.156 1.00 0.00 ATOM 487 O ARG A 61 19.004 63.314 17.359 1.00 0.00 ATOM 488 C ARG A 61 18.373 64.357 17.522 1.00 0.00 ATOM 489 N VAL A 62 17.388 64.477 18.413 1.00 0.00 ATOM 490 CA VAL A 62 16.905 63.331 19.183 1.00 0.00 ATOM 491 CB VAL A 62 17.302 63.465 20.627 1.00 0.00 ATOM 492 CG1 VAL A 62 16.494 62.503 21.430 1.00 0.00 ATOM 493 CG2 VAL A 62 18.889 63.254 20.780 1.00 0.00 ATOM 494 O VAL A 62 14.778 64.376 19.514 1.00 0.00 ATOM 495 C VAL A 62 15.386 63.359 19.192 1.00 0.00 ATOM 496 N VAL A 63 14.796 62.227 18.841 1.00 0.00 ATOM 497 CA VAL A 63 13.352 62.069 18.832 1.00 0.00 ATOM 498 CB VAL A 63 12.853 61.568 17.463 1.00 0.00 ATOM 499 CG1 VAL A 63 11.339 61.415 17.471 1.00 0.00 ATOM 500 CG2 VAL A 63 13.232 62.550 16.365 1.00 0.00 ATOM 501 O VAL A 63 13.411 59.993 19.999 1.00 0.00 ATOM 502 C VAL A 63 12.981 61.135 19.940 1.00 0.00 ATOM 503 N LYS A 64 12.159 61.615 20.884 1.00 0.00 ATOM 504 CA LYS A 64 11.715 60.776 22.008 1.00 0.00 ATOM 505 CB LYS A 64 10.848 61.627 22.939 1.00 0.00 ATOM 506 CG LYS A 64 10.338 60.882 24.164 1.00 0.00 ATOM 507 CD LYS A 64 9.541 61.801 25.075 1.00 0.00 ATOM 508 CE LYS A 64 8.994 61.047 26.276 1.00 0.00 ATOM 509 NZ LYS A 64 8.241 61.943 27.198 1.00 0.00 ATOM 510 O LYS A 64 10.176 59.706 20.500 1.00 0.00 ATOM 511 C LYS A 64 10.950 59.579 21.447 1.00 0.00 ATOM 512 N ASP A 65 11.181 58.368 22.091 1.00 0.00 ATOM 513 CA ASP A 65 10.493 57.150 21.677 1.00 0.00 ATOM 514 CB ASP A 65 8.986 57.411 21.625 1.00 0.00 ATOM 515 CG ASP A 65 8.419 57.820 22.970 1.00 0.00 ATOM 516 OD1 ASP A 65 8.767 57.176 23.983 1.00 0.00 ATOM 517 OD2 ASP A 65 7.630 58.786 23.013 1.00 0.00 ATOM 518 O ASP A 65 10.461 55.499 19.935 1.00 0.00 ATOM 519 C ASP A 65 10.917 56.581 20.307 1.00 0.00 ATOM 520 N PHE A 66 11.787 57.274 19.567 1.00 0.00 ATOM 521 CA PHE A 66 12.203 56.761 18.253 1.00 0.00 ATOM 522 CB PHE A 66 11.644 57.678 17.163 1.00 0.00 ATOM 523 CG PHE A 66 10.145 57.689 17.089 1.00 0.00 ATOM 524 CD1 PHE A 66 9.409 58.623 17.795 1.00 0.00 ATOM 525 CD2 PHE A 66 9.469 56.764 16.312 1.00 0.00 ATOM 526 CE1 PHE A 66 8.029 58.634 17.729 1.00 0.00 ATOM 527 CE2 PHE A 66 8.088 56.774 16.243 1.00 0.00 ATOM 528 CZ PHE A 66 7.368 57.703 16.948 1.00 0.00 ATOM 529 O PHE A 66 14.155 55.536 17.588 1.00 0.00 ATOM 530 C PHE A 66 13.694 56.632 17.906 1.00 0.00 ATOM 531 N MET A 67 14.453 57.727 17.948 1.00 0.00 ATOM 532 CA MET A 67 15.864 57.639 17.579 1.00 0.00 ATOM 533 CB MET A 67 16.004 57.576 16.057 1.00 0.00 ATOM 534 CG MET A 67 15.401 58.766 15.329 1.00 0.00 ATOM 535 SD MET A 67 15.246 58.491 13.553 1.00 0.00 ATOM 536 CE MET A 67 13.772 57.478 13.496 1.00 0.00 ATOM 537 O MET A 67 16.258 59.923 18.207 1.00 0.00 ATOM 538 C MET A 67 16.751 58.838 17.921 1.00 0.00 ATOM 539 N VAL A 68 18.066 58.623 17.764 1.00 0.00 ATOM 540 CA VAL A 68 19.017 59.701 18.010 1.00 0.00 ATOM 541 CB VAL A 68 19.894 59.341 19.225 1.00 0.00 ATOM 542 CG1 VAL A 68 20.955 60.407 19.449 1.00 0.00 ATOM 543 CG2 VAL A 68 19.044 59.236 20.481 1.00 0.00 ATOM 544 O VAL A 68 20.165 58.750 16.121 1.00 0.00 ATOM 545 C VAL A 68 19.864 59.774 16.734 1.00 0.00 ATOM 546 N GLN A 69 20.182 60.990 16.301 1.00 0.00 ATOM 547 CA GLN A 69 20.940 61.194 15.070 1.00 0.00 ATOM 548 CB GLN A 69 20.095 61.939 14.036 1.00 0.00 ATOM 549 CG GLN A 69 18.876 61.168 13.557 1.00 0.00 ATOM 550 CD GLN A 69 18.047 61.950 12.556 1.00 0.00 ATOM 551 OE1 GLN A 69 18.396 63.071 12.189 1.00 0.00 ATOM 552 NE2 GLN A 69 16.944 61.358 12.112 1.00 0.00 ATOM 553 O GLN A 69 22.213 63.035 15.920 1.00 0.00 ATOM 554 C GLN A 69 22.212 62.016 15.237 1.00 0.00 ATOM 555 N GLY A 70 23.284 61.566 14.586 1.00 0.00 ATOM 556 CA GLY A 70 24.557 62.266 14.642 1.00 0.00 ATOM 557 O GLY A 70 24.763 61.602 12.358 1.00 0.00 ATOM 558 C GLY A 70 25.332 62.046 13.353 1.00 0.00 ATOM 559 N GLY A 71 26.619 62.375 13.359 1.00 0.00 ATOM 560 CA GLY A 71 27.442 62.168 12.178 1.00 0.00 ATOM 561 O GLY A 71 28.525 63.344 10.403 1.00 0.00 ATOM 562 C GLY A 71 27.713 63.406 11.345 1.00 0.00 ATOM 563 N ASP A 72 27.096 64.492 11.692 1.00 0.00 ATOM 564 CA ASP A 72 27.422 65.757 10.915 1.00 0.00 ATOM 565 CB ASP A 72 26.236 66.717 11.023 1.00 0.00 ATOM 566 CG ASP A 72 26.412 67.957 10.167 1.00 0.00 ATOM 567 OD1 ASP A 72 27.477 68.094 9.530 1.00 0.00 ATOM 568 OD2 ASP A 72 25.483 68.793 10.135 1.00 0.00 ATOM 569 O ASP A 72 28.599 67.137 12.503 1.00 0.00 ATOM 570 C ASP A 72 28.677 66.391 11.526 1.00 0.00 ATOM 571 N PHE A 73 29.829 66.119 10.921 1.00 0.00 ATOM 572 CA PHE A 73 31.088 66.644 11.430 1.00 0.00 ATOM 573 CB PHE A 73 32.238 65.659 11.204 1.00 0.00 ATOM 574 CG PHE A 73 32.375 65.204 9.779 1.00 0.00 ATOM 575 CD1 PHE A 73 32.994 66.007 8.838 1.00 0.00 ATOM 576 CD2 PHE A 73 31.883 63.974 9.380 1.00 0.00 ATOM 577 CE1 PHE A 73 33.122 65.588 7.527 1.00 0.00 ATOM 578 CE2 PHE A 73 32.008 63.555 8.069 1.00 0.00 ATOM 579 CZ PHE A 73 32.624 64.356 7.145 1.00 0.00 ATOM 580 O PHE A 73 32.572 68.506 11.150 1.00 0.00 ATOM 581 C PHE A 73 31.543 67.946 10.765 1.00 0.00 ATOM 582 N SER A 74 30.797 68.436 9.780 1.00 0.00 ATOM 583 CA SER A 74 31.195 69.674 9.113 1.00 0.00 ATOM 584 CB SER A 74 31.048 69.546 7.596 1.00 0.00 ATOM 585 OG SER A 74 31.846 68.487 7.094 1.00 0.00 ATOM 586 O SER A 74 30.873 71.912 9.893 1.00 0.00 ATOM 587 C SER A 74 30.344 70.840 9.607 1.00 0.00 ATOM 588 N GLU A 75 29.038 70.692 9.669 1.00 0.00 ATOM 589 CA GLU A 75 28.154 71.776 10.090 1.00 0.00 ATOM 590 CB GLU A 75 27.096 71.929 9.008 1.00 0.00 ATOM 591 CG GLU A 75 27.677 72.303 7.624 1.00 0.00 ATOM 592 CD GLU A 75 28.403 73.658 7.555 1.00 0.00 ATOM 593 OE1 GLU A 75 28.173 74.513 8.421 1.00 0.00 ATOM 594 OE2 GLU A 75 29.186 73.858 6.615 1.00 0.00 ATOM 595 O GLU A 75 27.406 72.476 12.244 1.00 0.00 ATOM 596 C GLU A 75 27.633 71.536 11.499 1.00 0.00 ATOM 597 N GLY A 76 27.383 70.299 11.829 1.00 0.00 ATOM 598 CA GLY A 76 26.861 69.948 13.143 1.00 0.00 ATOM 599 O GLY A 76 24.884 69.784 14.474 1.00 0.00 ATOM 600 C GLY A 76 25.364 70.072 13.379 1.00 0.00 ATOM 601 N ASN A 77 24.592 70.496 12.291 1.00 0.00 ATOM 602 CA ASN A 77 23.142 70.638 12.409 1.00 0.00 ATOM 603 CB ASN A 77 22.740 72.121 12.148 1.00 0.00 ATOM 604 CG ASN A 77 23.410 73.100 13.085 1.00 0.00 ATOM 605 ND2 ASN A 77 23.162 72.963 14.389 1.00 0.00 ATOM 606 OD1 ASN A 77 24.181 73.959 12.638 1.00 0.00 ATOM 607 O ASN A 77 21.031 69.923 11.522 1.00 0.00 ATOM 608 C ASN A 77 22.266 69.788 11.508 1.00 0.00 ATOM 609 N GLY A 78 22.825 68.937 10.707 1.00 0.00 ATOM 610 CA GLY A 78 22.077 68.050 9.840 1.00 0.00 ATOM 611 O GLY A 78 21.792 67.594 7.516 1.00 0.00 ATOM 612 C GLY A 78 22.213 68.380 8.370 1.00 0.00 ATOM 613 N ARG A 79 22.849 69.505 8.062 1.00 0.00 ATOM 614 CA ARG A 79 23.017 69.921 6.676 1.00 0.00 ATOM 615 CB ARG A 79 22.385 71.581 7.077 1.00 0.00 ATOM 616 CG ARG A 79 21.412 71.736 8.218 1.00 0.00 ATOM 617 CD ARG A 79 20.885 73.153 8.275 1.00 0.00 ATOM 618 NE ARG A 79 20.054 73.300 9.469 1.00 0.00 ATOM 619 CZ ARG A 79 18.845 73.826 9.501 1.00 0.00 ATOM 620 NH1 ARG A 79 18.193 73.889 10.658 1.00 0.00 ATOM 621 NH2 ARG A 79 18.214 74.335 8.432 1.00 0.00 ATOM 622 O ARG A 79 24.674 69.905 4.948 1.00 0.00 ATOM 623 C ARG A 79 24.408 69.629 6.118 1.00 0.00 ATOM 624 N GLY A 80 25.289 69.067 6.939 1.00 0.00 ATOM 625 CA GLY A 80 26.636 68.783 6.481 1.00 0.00 ATOM 626 O GLY A 80 26.144 66.439 6.478 1.00 0.00 ATOM 627 C GLY A 80 27.010 67.316 6.500 1.00 0.00 ATOM 628 N GLY A 81 28.318 67.067 6.559 1.00 0.00 ATOM 629 CA GLY A 81 28.845 65.713 6.566 1.00 0.00 ATOM 630 O GLY A 81 28.827 65.868 4.177 1.00 0.00 ATOM 631 C GLY A 81 29.294 65.310 5.171 1.00 0.00 ATOM 632 N GLU A 82 30.208 64.344 5.094 1.00 0.00 ATOM 633 CA GLU A 82 30.716 63.859 3.811 1.00 0.00 ATOM 634 CB GLU A 82 31.875 64.739 3.342 1.00 0.00 ATOM 635 CG GLU A 82 32.459 64.333 1.997 1.00 0.00 ATOM 636 CD GLU A 82 33.594 65.236 1.559 1.00 0.00 ATOM 637 OE1 GLU A 82 33.987 66.124 2.346 1.00 0.00 ATOM 638 OE2 GLU A 82 34.094 65.055 0.430 1.00 0.00 ATOM 639 O GLU A 82 31.745 62.030 4.968 1.00 0.00 ATOM 640 C GLU A 82 31.233 62.426 3.922 1.00 0.00 ATOM 641 N SER A 83 31.061 61.639 2.861 1.00 0.00 ATOM 642 CA SER A 83 31.545 60.264 2.856 1.00 0.00 ATOM 643 CB SER A 83 30.742 59.420 1.848 1.00 0.00 ATOM 644 OG SER A 83 31.053 59.810 0.522 1.00 0.00 ATOM 645 O SER A 83 33.544 61.156 1.866 1.00 0.00 ATOM 646 C SER A 83 33.018 60.214 2.465 1.00 0.00 ATOM 647 N ILE A 84 33.675 59.102 2.792 1.00 0.00 ATOM 648 CA ILE A 84 35.087 58.915 2.481 1.00 0.00 ATOM 649 CB ILE A 84 35.719 57.786 3.307 1.00 0.00 ATOM 650 CG1 ILE A 84 35.070 56.448 3.051 1.00 0.00 ATOM 651 CG2 ILE A 84 35.824 58.221 4.770 1.00 0.00 ATOM 652 CD1 ILE A 84 35.855 55.276 3.600 1.00 0.00 ATOM 653 O ILE A 84 36.474 58.741 0.528 1.00 0.00 ATOM 654 C ILE A 84 35.332 58.728 0.985 1.00 0.00 ATOM 655 N TYR A 85 34.251 58.573 0.229 1.00 0.00 ATOM 656 CA TYR A 85 34.333 58.382 -1.215 1.00 0.00 ATOM 657 CB TYR A 85 33.178 57.511 -1.712 1.00 0.00 ATOM 658 CG TYR A 85 33.253 56.073 -1.252 1.00 0.00 ATOM 659 CD1 TYR A 85 32.516 55.637 -0.158 1.00 0.00 ATOM 660 CD2 TYR A 85 34.061 55.155 -1.910 1.00 0.00 ATOM 661 CE1 TYR A 85 32.578 54.325 0.270 1.00 0.00 ATOM 662 CE2 TYR A 85 34.137 53.839 -1.497 1.00 0.00 ATOM 663 CZ TYR A 85 33.387 53.428 -0.396 1.00 0.00 ATOM 664 OH TYR A 85 33.450 52.122 0.028 1.00 0.00 ATOM 665 O TYR A 85 34.630 59.755 -3.154 1.00 0.00 ATOM 666 C TYR A 85 34.320 59.713 -1.970 1.00 0.00 ATOM 667 N GLY A 86 34.000 60.795 -1.267 1.00 0.00 ATOM 668 CA GLY A 86 33.919 62.096 -1.904 1.00 0.00 ATOM 669 O GLY A 86 31.756 61.604 -2.804 1.00 0.00 ATOM 670 C GLY A 86 32.438 62.362 -2.109 1.00 0.00 ATOM 671 N GLY A 87 31.935 63.427 -1.494 1.00 0.00 ATOM 672 CA GLY A 87 30.523 63.739 -1.614 1.00 0.00 ATOM 673 O GLY A 87 29.978 62.157 0.094 1.00 0.00 ATOM 674 C GLY A 87 29.666 62.646 -0.996 1.00 0.00 ATOM 675 N PHE A 88 28.568 62.299 -1.665 1.00 0.00 ATOM 676 CA PHE A 88 27.654 61.259 -1.187 1.00 0.00 ATOM 677 CB PHE A 88 26.199 61.715 -1.312 1.00 0.00 ATOM 678 CG PHE A 88 25.842 62.860 -0.410 1.00 0.00 ATOM 679 CD1 PHE A 88 25.842 64.160 -0.884 1.00 0.00 ATOM 680 CD2 PHE A 88 25.506 62.637 0.914 1.00 0.00 ATOM 681 CE1 PHE A 88 25.512 65.215 -0.053 1.00 0.00 ATOM 682 CE2 PHE A 88 25.179 63.692 1.745 1.00 0.00 ATOM 683 CZ PHE A 88 25.181 64.976 1.265 1.00 0.00 ATOM 684 O PHE A 88 28.518 59.994 -3.027 1.00 0.00 ATOM 685 C PHE A 88 27.782 59.998 -2.035 1.00 0.00 ATOM 686 N PHE A 89 27.337 58.904 -1.518 1.00 0.00 ATOM 687 CA PHE A 89 27.441 57.617 -2.189 1.00 0.00 ATOM 688 CB PHE A 89 28.654 56.772 -1.636 1.00 0.00 ATOM 689 CG PHE A 89 28.480 56.262 -0.250 1.00 0.00 ATOM 690 CD1 PHE A 89 28.137 54.943 0.008 1.00 0.00 ATOM 691 CD2 PHE A 89 28.678 57.085 0.856 1.00 0.00 ATOM 692 CE1 PHE A 89 28.053 54.445 1.287 1.00 0.00 ATOM 693 CE2 PHE A 89 28.580 56.592 2.151 1.00 0.00 ATOM 694 CZ PHE A 89 28.271 55.281 2.375 1.00 0.00 ATOM 695 O PHE A 89 25.110 57.358 -1.671 1.00 0.00 ATOM 696 C PHE A 89 26.082 56.946 -2.310 1.00 0.00 ATOM 697 N GLU A 90 25.995 56.006 -3.239 1.00 0.00 ATOM 698 CA GLU A 90 24.760 55.287 -3.506 1.00 0.00 ATOM 699 CB GLU A 90 24.896 54.428 -4.762 1.00 0.00 ATOM 700 CG GLU A 90 25.015 55.226 -6.052 1.00 0.00 ATOM 701 CD GLU A 90 25.095 54.343 -7.280 1.00 0.00 ATOM 702 OE1 GLU A 90 25.092 53.103 -7.121 1.00 0.00 ATOM 703 OE2 GLU A 90 25.159 54.888 -8.402 1.00 0.00 ATOM 704 O GLU A 90 25.120 53.895 -1.590 1.00 0.00 ATOM 705 C GLU A 90 24.321 54.350 -2.409 1.00 0.00 ATOM 706 N ASP A 91 23.034 54.035 -2.430 1.00 0.00 ATOM 707 CA ASP A 91 22.468 53.114 -1.465 1.00 0.00 ATOM 708 CB ASP A 91 21.407 54.012 -0.608 1.00 0.00 ATOM 709 CG ASP A 91 20.196 54.329 -1.471 1.00 0.00 ATOM 710 OD1 ASP A 91 19.988 53.669 -2.512 1.00 0.00 ATOM 711 OD2 ASP A 91 19.387 55.237 -1.174 1.00 0.00 ATOM 712 O ASP A 91 21.924 51.181 -2.737 1.00 0.00 ATOM 713 C ASP A 91 22.592 51.655 -1.837 1.00 0.00 ATOM 714 N GLU A 92 23.470 50.971 -1.093 1.00 0.00 ATOM 715 CA GLU A 92 23.760 49.551 -1.312 1.00 0.00 ATOM 716 CB GLU A 92 24.790 49.016 -0.316 1.00 0.00 ATOM 717 CG GLU A 92 26.123 49.748 -0.350 1.00 0.00 ATOM 718 CD GLU A 92 27.159 49.116 0.559 1.00 0.00 ATOM 719 OE1 GLU A 92 26.816 48.797 1.716 1.00 0.00 ATOM 720 OE2 GLU A 92 28.313 48.941 0.114 1.00 0.00 ATOM 721 O GLU A 92 21.472 49.412 -0.580 1.00 0.00 ATOM 722 C GLU A 92 22.414 48.824 -1.122 1.00 0.00 ATOM 723 N SER A 93 22.366 47.474 -1.583 1.00 0.00 ATOM 724 CA SER A 93 21.164 46.713 -1.482 1.00 0.00 ATOM 725 CB SER A 93 21.447 45.261 -1.867 1.00 0.00 ATOM 726 OG SER A 93 20.273 44.469 -1.770 1.00 0.00 ATOM 727 O SER A 93 21.366 46.878 0.901 1.00 0.00 ATOM 728 C SER A 93 20.615 46.836 -0.088 1.00 0.00 ATOM 729 N PHE A 94 19.253 46.952 0.080 1.00 0.00 ATOM 730 CA PHE A 94 18.616 47.060 1.355 1.00 0.00 ATOM 731 CB PHE A 94 17.379 48.236 1.224 1.00 0.00 ATOM 732 CG PHE A 94 17.632 49.402 0.310 1.00 0.00 ATOM 733 CD1 PHE A 94 17.704 49.233 -1.082 1.00 0.00 ATOM 734 CD2 PHE A 94 17.876 50.650 0.816 1.00 0.00 ATOM 735 CE1 PHE A 94 18.058 50.295 -1.907 1.00 0.00 ATOM 736 CE2 PHE A 94 18.182 51.716 0.017 1.00 0.00 ATOM 737 CZ PHE A 94 18.300 51.544 -1.361 1.00 0.00 ATOM 738 O PHE A 94 17.213 45.285 2.203 1.00 0.00 ATOM 739 C PHE A 94 18.362 45.673 1.960 1.00 0.00 ATOM 740 N ALA A 95 19.447 44.976 2.289 1.00 0.00 ATOM 741 CA ALA A 95 19.361 43.636 2.857 1.00 0.00 ATOM 742 CB ALA A 95 20.731 42.978 2.894 1.00 0.00 ATOM 743 O ALA A 95 17.760 43.179 4.587 1.00 0.00 ATOM 744 C ALA A 95 18.835 43.710 4.291 1.00 0.00 ATOM 745 N VAL A 96 19.570 44.395 5.164 1.00 0.00 ATOM 746 CA VAL A 96 19.168 44.539 6.565 1.00 0.00 ATOM 747 CB VAL A 96 20.222 45.216 7.407 1.00 0.00 ATOM 748 CG1 VAL A 96 19.640 45.416 8.804 1.00 0.00 ATOM 749 CG2 VAL A 96 21.490 44.346 7.443 1.00 0.00 ATOM 750 O VAL A 96 17.785 46.427 6.018 1.00 0.00 ATOM 751 C VAL A 96 17.946 45.439 6.738 1.00 0.00 ATOM 752 N LYS A 97 17.109 45.105 7.721 1.00 0.00 ATOM 753 CA LYS A 97 15.878 45.851 8.000 1.00 0.00 ATOM 754 CB LYS A 97 14.656 44.946 7.827 1.00 0.00 ATOM 755 CG LYS A 97 14.429 44.478 6.399 1.00 0.00 ATOM 756 CD LYS A 97 13.193 43.599 6.294 1.00 0.00 ATOM 757 CE LYS A 97 12.950 43.153 4.863 1.00 0.00 ATOM 758 NZ LYS A 97 11.731 42.306 4.742 1.00 0.00 ATOM 759 O LYS A 97 16.528 45.978 10.307 1.00 0.00 ATOM 760 C LYS A 97 15.782 46.398 9.421 1.00 0.00 ATOM 761 N HIS A 98 14.915 47.387 9.619 1.00 0.00 ATOM 762 CA HIS A 98 14.725 47.991 10.941 1.00 0.00 ATOM 763 CB HIS A 98 14.191 49.408 10.779 1.00 0.00 ATOM 764 CG HIS A 98 15.048 50.255 9.888 1.00 0.00 ATOM 765 CD2 HIS A 98 16.186 50.939 10.141 1.00 0.00 ATOM 766 ND1 HIS A 98 14.788 50.417 8.547 1.00 0.00 ATOM 767 CE1 HIS A 98 15.737 51.167 8.006 1.00 0.00 ATOM 768 NE2 HIS A 98 16.593 51.496 8.951 1.00 0.00 ATOM 769 O HIS A 98 12.622 47.593 12.058 1.00 0.00 ATOM 770 C HIS A 98 13.712 47.133 11.715 1.00 0.00 ATOM 771 N ASN A 99 14.157 45.837 12.017 1.00 0.00 ATOM 772 CA ASN A 99 13.268 44.890 12.686 1.00 0.00 ATOM 773 CB ASN A 99 13.529 43.467 12.191 1.00 0.00 ATOM 774 CG ASN A 99 13.086 43.259 10.756 1.00 0.00 ATOM 775 ND2 ASN A 99 13.729 42.323 10.069 1.00 0.00 ATOM 776 OD1 ASN A 99 12.174 43.933 10.274 1.00 0.00 ATOM 777 O ASN A 99 12.530 44.173 14.848 1.00 0.00 ATOM 778 C ASN A 99 13.345 44.866 14.224 1.00 0.00 ATOM 779 N ALA A 100 14.254 45.623 14.776 1.00 0.00 ATOM 780 CA ALA A 100 14.319 45.687 16.246 1.00 0.00 ATOM 781 CB ALA A 100 15.202 44.537 16.707 1.00 0.00 ATOM 782 O ALA A 100 15.542 47.713 15.866 1.00 0.00 ATOM 783 C ALA A 100 14.954 47.000 16.682 1.00 0.00 ATOM 784 N ALA A 101 14.795 47.363 17.966 1.00 0.00 ATOM 785 CA ALA A 101 15.392 48.620 18.432 1.00 0.00 ATOM 786 CB ALA A 101 14.944 48.888 19.842 1.00 0.00 ATOM 787 O ALA A 101 17.521 47.500 18.345 1.00 0.00 ATOM 788 C ALA A 101 16.919 48.572 18.461 1.00 0.00 ATOM 789 N PHE A 102 17.533 49.749 18.521 1.00 0.00 ATOM 790 CA PHE A 102 18.989 49.901 18.589 1.00 0.00 ATOM 791 CB PHE A 102 19.558 49.099 19.761 1.00 0.00 ATOM 792 CG PHE A 102 19.012 49.511 21.099 1.00 0.00 ATOM 793 CD1 PHE A 102 18.081 48.724 21.754 1.00 0.00 ATOM 794 CD2 PHE A 102 19.431 50.684 21.703 1.00 0.00 ATOM 795 CE1 PHE A 102 17.580 49.103 22.984 1.00 0.00 ATOM 796 CE2 PHE A 102 18.930 51.061 22.933 1.00 0.00 ATOM 797 CZ PHE A 102 18.008 50.276 23.574 1.00 0.00 ATOM 798 O PHE A 102 20.838 48.849 17.451 1.00 0.00 ATOM 799 C PHE A 102 19.757 49.421 17.361 1.00 0.00 ATOM 800 N LEU A 103 19.176 49.684 16.206 1.00 0.00 ATOM 801 CA LEU A 103 19.778 49.342 14.936 1.00 0.00 ATOM 802 CB LEU A 103 18.714 48.881 13.936 1.00 0.00 ATOM 803 CG LEU A 103 17.920 47.634 14.322 1.00 0.00 ATOM 804 CD1 LEU A 103 16.843 47.340 13.286 1.00 0.00 ATOM 805 CD2 LEU A 103 18.831 46.422 14.417 1.00 0.00 ATOM 806 O LEU A 103 19.943 51.737 14.748 1.00 0.00 ATOM 807 C LEU A 103 20.444 50.646 14.452 1.00 0.00 ATOM 808 N LEU A 104 21.619 50.547 13.829 1.00 0.00 ATOM 809 CA LEU A 104 22.326 51.733 13.326 1.00 0.00 ATOM 810 CB LEU A 104 23.831 51.544 13.509 1.00 0.00 ATOM 811 CG LEU A 104 24.714 52.679 13.057 1.00 0.00 ATOM 812 CD1 LEU A 104 24.452 53.940 13.822 1.00 0.00 ATOM 813 CD2 LEU A 104 26.209 52.301 13.231 1.00 0.00 ATOM 814 O LEU A 104 22.219 50.882 11.126 1.00 0.00 ATOM 815 C LEU A 104 22.025 51.841 11.861 1.00 0.00 ATOM 816 N SER A 105 21.513 52.985 11.405 1.00 0.00 ATOM 817 CA SER A 105 21.137 53.137 10.010 1.00 0.00 ATOM 818 CB SER A 105 19.618 53.102 9.830 1.00 0.00 ATOM 819 OG SER A 105 19.261 53.280 8.471 1.00 0.00 ATOM 820 O SER A 105 21.948 55.401 10.210 1.00 0.00 ATOM 821 C SER A 105 21.614 54.481 9.451 1.00 0.00 ATOM 822 N MET A 106 21.732 54.561 8.126 1.00 0.00 ATOM 823 CA MET A 106 22.189 55.788 7.478 1.00 0.00 ATOM 824 CB MET A 106 22.769 55.475 6.099 1.00 0.00 ATOM 825 CG MET A 106 23.993 54.574 6.130 1.00 0.00 ATOM 826 SD MET A 106 25.347 55.272 7.096 1.00 0.00 ATOM 827 CE MET A 106 25.823 56.654 6.062 1.00 0.00 ATOM 828 O MET A 106 20.010 56.504 6.790 1.00 0.00 ATOM 829 C MET A 106 21.092 56.821 7.284 1.00 0.00 ATOM 830 N ALA A 107 21.383 58.055 7.672 1.00 0.00 ATOM 831 CA ALA A 107 20.456 59.159 7.465 1.00 0.00 ATOM 832 CB ALA A 107 20.719 60.273 8.466 1.00 0.00 ATOM 833 O ALA A 107 21.861 59.425 5.529 1.00 0.00 ATOM 834 C ALA A 107 20.741 59.597 6.019 1.00 0.00 ATOM 835 N ASN A 108 19.733 60.125 5.329 1.00 0.00 ATOM 836 CA ASN A 108 19.928 60.586 3.955 1.00 0.00 ATOM 837 CB ASN A 108 19.747 59.435 2.964 1.00 0.00 ATOM 838 CG ASN A 108 18.367 58.812 3.042 1.00 0.00 ATOM 839 ND2 ASN A 108 18.324 57.495 3.217 1.00 0.00 ATOM 840 OD1 ASN A 108 17.355 59.505 2.948 1.00 0.00 ATOM 841 O ASN A 108 18.067 62.069 4.334 1.00 0.00 ATOM 842 C ASN A 108 18.932 61.677 3.545 1.00 0.00 ATOM 843 N ARG A 109 19.107 62.206 2.334 1.00 0.00 ATOM 844 CA ARG A 109 18.241 63.255 1.790 1.00 0.00 ATOM 845 CB ARG A 109 19.136 64.624 2.159 1.00 0.00 ATOM 846 CG ARG A 109 18.617 65.792 2.915 1.00 0.00 ATOM 847 CD ARG A 109 19.589 66.966 2.894 1.00 0.00 ATOM 848 NE ARG A 109 20.839 66.640 3.584 1.00 0.00 ATOM 849 CZ ARG A 109 20.995 66.609 4.910 1.00 0.00 ATOM 850 NH1 ARG A 109 19.979 66.886 5.720 1.00 0.00 ATOM 851 NH2 ARG A 109 22.179 66.300 5.430 1.00 0.00 ATOM 852 O ARG A 109 17.460 63.524 -0.471 1.00 0.00 ATOM 853 C ARG A 109 17.636 62.757 0.471 1.00 0.00 ATOM 854 N GLY A 110 17.324 61.468 0.411 1.00 0.00 ATOM 855 CA GLY A 110 16.770 60.887 -0.801 1.00 0.00 ATOM 856 O GLY A 110 18.561 59.341 -0.514 1.00 0.00 ATOM 857 C GLY A 110 17.646 59.748 -1.256 1.00 0.00 ATOM 858 N LYS A 111 17.251 59.233 -2.500 1.00 0.00 ATOM 859 CA LYS A 111 17.924 58.036 -2.988 1.00 0.00 ATOM 860 CB LYS A 111 17.379 57.658 -4.345 1.00 0.00 ATOM 861 CG LYS A 111 17.207 58.779 -5.364 1.00 0.00 ATOM 862 CD LYS A 111 16.576 58.278 -6.665 1.00 0.00 ATOM 863 CE LYS A 111 17.504 57.346 -7.441 1.00 0.00 ATOM 864 NZ LYS A 111 17.809 56.082 -6.712 1.00 0.00 ATOM 865 O LYS A 111 19.680 59.467 -3.815 1.00 0.00 ATOM 866 C LYS A 111 19.376 58.383 -3.308 1.00 0.00 ATOM 867 N ASP A 112 20.267 57.461 -2.956 1.00 0.00 ATOM 868 CA ASP A 112 21.694 57.604 -3.210 1.00 0.00 ATOM 869 CB ASP A 112 21.973 57.601 -4.715 1.00 0.00 ATOM 870 CG ASP A 112 21.612 56.283 -5.372 1.00 0.00 ATOM 871 OD1 ASP A 112 22.029 55.227 -4.853 1.00 0.00 ATOM 872 OD2 ASP A 112 20.913 56.308 -6.407 1.00 0.00 ATOM 873 O ASP A 112 23.070 59.545 -3.379 1.00 0.00 ATOM 874 C ASP A 112 22.312 58.885 -2.674 1.00 0.00 ATOM 875 N THR A 113 22.046 59.203 -1.410 1.00 0.00 ATOM 876 CA THR A 113 22.592 60.413 -0.807 1.00 0.00 ATOM 877 CB THR A 113 21.507 61.481 -0.577 1.00 0.00 ATOM 878 CG2 THR A 113 20.906 61.922 -1.903 1.00 0.00 ATOM 879 OG1 THR A 113 20.467 60.941 0.248 1.00 0.00 ATOM 880 O THR A 113 23.149 60.942 1.460 1.00 0.00 ATOM 881 C THR A 113 23.227 60.130 0.544 1.00 0.00 ATOM 882 N ASN A 114 23.927 58.990 0.645 1.00 0.00 ATOM 883 CA ASN A 114 24.579 58.598 1.897 1.00 0.00 ATOM 884 CB ASN A 114 24.903 57.102 1.877 1.00 0.00 ATOM 885 CG ASN A 114 23.660 56.274 1.790 1.00 0.00 ATOM 886 ND2 ASN A 114 23.627 55.419 0.777 1.00 0.00 ATOM 887 OD1 ASN A 114 22.712 56.397 2.592 1.00 0.00 ATOM 888 O ASN A 114 26.706 59.460 1.227 1.00 0.00 ATOM 889 C ASN A 114 25.861 59.388 2.114 1.00 0.00 ATOM 890 N GLY A 115 25.998 59.974 3.302 1.00 0.00 ATOM 891 CA GLY A 115 27.189 60.739 3.637 1.00 0.00 ATOM 892 O GLY A 115 28.474 59.099 4.816 1.00 0.00 ATOM 893 C GLY A 115 27.871 60.171 4.868 1.00 0.00 ATOM 894 N SER A 116 27.760 61.008 5.996 1.00 0.00 ATOM 895 CA SER A 116 28.360 60.593 7.261 1.00 0.00 ATOM 896 CB SER A 116 29.465 61.567 7.674 1.00 0.00 ATOM 897 OG SER A 116 28.942 62.864 7.902 1.00 0.00 ATOM 898 O SER A 116 27.478 59.724 9.311 1.00 0.00 ATOM 899 C SER A 116 27.268 60.499 8.326 1.00 0.00 ATOM 900 N GLN A 117 26.155 61.072 8.094 1.00 0.00 ATOM 901 CA GLN A 117 25.100 61.095 9.168 1.00 0.00 ATOM 902 CB GLN A 117 24.023 62.120 8.805 1.00 0.00 ATOM 903 CG GLN A 117 22.903 62.232 9.824 1.00 0.00 ATOM 904 CD GLN A 117 21.923 63.341 9.496 1.00 0.00 ATOM 905 OE1 GLN A 117 22.177 64.165 8.616 1.00 0.00 ATOM 906 NE2 GLN A 117 20.799 63.366 10.200 1.00 0.00 ATOM 907 O GLN A 117 24.038 59.117 8.348 1.00 0.00 ATOM 908 C GLN A 117 24.428 59.743 9.327 1.00 0.00 ATOM 909 N PHE A 118 24.108 59.411 10.572 1.00 0.00 ATOM 910 CA PHE A 118 23.492 58.135 10.914 1.00 0.00 ATOM 911 CB PHE A 118 24.552 57.106 11.317 1.00 0.00 ATOM 912 CG PHE A 118 25.299 57.464 12.568 1.00 0.00 ATOM 913 CD1 PHE A 118 24.867 57.013 13.803 1.00 0.00 ATOM 914 CD2 PHE A 118 26.435 58.253 12.513 1.00 0.00 ATOM 915 CE1 PHE A 118 25.554 57.343 14.956 1.00 0.00 ATOM 916 CE2 PHE A 118 27.122 58.582 13.665 1.00 0.00 ATOM 917 CZ PHE A 118 26.687 58.131 14.884 1.00 0.00 ATOM 918 O PHE A 118 22.564 59.338 12.773 1.00 0.00 ATOM 919 C PHE A 118 22.533 58.321 12.080 1.00 0.00 ATOM 920 N PHE A 119 21.712 57.304 12.318 1.00 0.00 ATOM 921 CA PHE A 119 20.785 57.333 13.440 1.00 0.00 ATOM 922 CB PHE A 119 19.412 57.898 13.028 1.00 0.00 ATOM 923 CG PHE A 119 18.680 57.096 11.972 1.00 0.00 ATOM 924 CD1 PHE A 119 17.764 56.110 12.338 1.00 0.00 ATOM 925 CD2 PHE A 119 18.887 57.347 10.620 1.00 0.00 ATOM 926 CE1 PHE A 119 17.060 55.392 11.376 1.00 0.00 ATOM 927 CE2 PHE A 119 18.184 56.633 9.641 1.00 0.00 ATOM 928 CZ PHE A 119 17.267 55.653 10.022 1.00 0.00 ATOM 929 O PHE A 119 21.014 54.935 13.447 1.00 0.00 ATOM 930 C PHE A 119 20.706 55.958 14.080 1.00 0.00 ATOM 931 N ILE A 120 20.395 55.952 15.370 1.00 0.00 ATOM 932 CA ILE A 120 20.245 54.717 16.125 1.00 0.00 ATOM 933 CB ILE A 120 21.168 54.709 17.337 1.00 0.00 ATOM 934 CG1 ILE A 120 22.590 55.031 16.872 1.00 0.00 ATOM 935 CG2 ILE A 120 21.138 53.315 17.957 1.00 0.00 ATOM 936 CD1 ILE A 120 23.563 55.272 18.002 1.00 0.00 ATOM 937 O ILE A 120 18.320 55.718 17.163 1.00 0.00 ATOM 938 C ILE A 120 18.776 54.733 16.572 1.00 0.00 ATOM 939 N THR A 121 18.024 53.693 16.206 1.00 0.00 ATOM 940 CA THR A 121 16.601 53.587 16.561 1.00 0.00 ATOM 941 CB THR A 121 15.831 52.671 15.592 1.00 0.00 ATOM 942 CG2 THR A 121 15.933 53.193 14.168 1.00 0.00 ATOM 943 OG1 THR A 121 16.381 51.348 15.643 1.00 0.00 ATOM 944 O THR A 121 17.323 52.294 18.459 1.00 0.00 ATOM 945 C THR A 121 16.434 52.983 17.959 1.00 0.00 ATOM 946 N THR A 122 15.272 53.210 18.569 1.00 0.00 ATOM 947 CA THR A 122 14.992 52.678 19.900 1.00 0.00 ATOM 948 CB THR A 122 14.969 53.819 20.960 1.00 0.00 ATOM 949 CG2 THR A 122 16.259 54.609 20.947 1.00 0.00 ATOM 950 OG1 THR A 122 13.874 54.693 20.654 1.00 0.00 ATOM 951 O THR A 122 13.316 51.329 21.010 1.00 0.00 ATOM 952 C THR A 122 13.729 51.790 19.943 1.00 0.00 ATOM 953 N LYS A 123 13.162 51.523 18.765 1.00 0.00 ATOM 954 CA LYS A 123 11.980 50.661 18.579 1.00 0.00 ATOM 955 CB LYS A 123 10.697 51.471 18.723 1.00 0.00 ATOM 956 CG LYS A 123 10.605 52.689 17.818 1.00 0.00 ATOM 957 CD LYS A 123 9.195 52.900 17.262 1.00 0.00 ATOM 958 CE LYS A 123 8.203 53.346 18.328 1.00 0.00 ATOM 959 NZ LYS A 123 6.907 53.796 17.728 1.00 0.00 ATOM 960 O LYS A 123 12.686 50.840 16.293 1.00 0.00 ATOM 961 C LYS A 123 12.015 50.209 17.117 1.00 0.00 ATOM 962 N PRO A 124 11.331 49.093 16.780 1.00 0.00 ATOM 963 CA PRO A 124 11.350 48.658 15.373 1.00 0.00 ATOM 964 CB PRO A 124 10.538 47.362 15.374 1.00 0.00 ATOM 965 CG PRO A 124 10.632 46.864 16.777 1.00 0.00 ATOM 966 CD PRO A 124 10.626 48.085 17.654 1.00 0.00 ATOM 967 O PRO A 124 9.650 50.254 14.793 1.00 0.00 ATOM 968 C PRO A 124 10.698 49.698 14.455 1.00 0.00 ATOM 969 N THR A 125 11.240 49.848 13.237 1.00 0.00 ATOM 970 CA THR A 125 10.682 50.797 12.267 1.00 0.00 ATOM 971 CB THR A 125 11.520 52.088 12.302 1.00 0.00 ATOM 972 CG2 THR A 125 11.453 52.729 13.682 1.00 0.00 ATOM 973 OG1 THR A 125 12.886 51.784 11.999 1.00 0.00 ATOM 974 O THR A 125 11.484 50.775 10.006 1.00 0.00 ATOM 975 C THR A 125 10.716 50.278 10.830 1.00 0.00 ATOM 976 N PRO A 126 9.932 49.228 10.528 1.00 0.00 ATOM 977 CA PRO A 126 9.876 48.632 9.185 1.00 0.00 ATOM 978 CB PRO A 126 8.797 47.552 9.305 1.00 0.00 ATOM 979 CG PRO A 126 7.948 47.999 10.446 1.00 0.00 ATOM 980 CD PRO A 126 8.877 48.657 11.427 1.00 0.00 ATOM 981 O PRO A 126 9.882 49.321 6.886 1.00 0.00 ATOM 982 C PRO A 126 9.533 49.588 8.035 1.00 0.00 ATOM 983 N HIS A 127 8.854 50.693 8.339 1.00 0.00 ATOM 984 CA HIS A 127 8.486 51.671 7.311 1.00 0.00 ATOM 985 CB HIS A 127 7.352 52.595 8.013 1.00 0.00 ATOM 986 CG HIS A 127 6.058 51.912 8.325 1.00 0.00 ATOM 987 CD2 HIS A 127 4.993 51.623 7.544 1.00 0.00 ATOM 988 ND1 HIS A 127 5.750 51.435 9.586 1.00 0.00 ATOM 989 CE1 HIS A 127 4.546 50.893 9.563 1.00 0.00 ATOM 990 NE2 HIS A 127 4.066 50.989 8.335 1.00 0.00 ATOM 991 O HIS A 127 9.657 52.866 5.580 1.00 0.00 ATOM 992 C HIS A 127 9.725 52.332 6.689 1.00 0.00 ATOM 993 N LEU A 128 10.794 52.274 7.428 1.00 0.00 ATOM 994 CA LEU A 128 12.049 52.861 6.953 1.00 0.00 ATOM 995 CB LEU A 128 12.924 53.259 8.144 1.00 0.00 ATOM 996 CG LEU A 128 12.343 54.313 9.089 1.00 0.00 ATOM 997 CD1 LEU A 128 13.264 54.539 10.276 1.00 0.00 ATOM 998 CD2 LEU A 128 12.162 55.639 8.367 1.00 0.00 ATOM 999 O LEU A 128 13.700 52.330 5.315 1.00 0.00 ATOM 1000 C LEU A 128 12.808 51.899 6.035 1.00 0.00 ATOM 1001 N ASP A 129 12.352 50.647 6.044 1.00 0.00 ATOM 1002 CA ASP A 129 13.068 49.629 5.171 1.00 0.00 ATOM 1003 CB ASP A 129 12.379 48.274 5.345 1.00 0.00 ATOM 1004 CG ASP A 129 12.676 47.638 6.687 1.00 0.00 ATOM 1005 OD1 ASP A 129 13.565 48.146 7.401 1.00 0.00 ATOM 1006 OD2 ASP A 129 12.020 46.630 7.025 1.00 0.00 ATOM 1007 O ASP A 129 11.937 50.567 3.281 1.00 0.00 ATOM 1008 C ASP A 129 12.973 50.053 3.716 1.00 0.00 ATOM 1009 N GLY A 130 14.056 49.831 2.972 1.00 0.00 ATOM 1010 CA GLY A 130 14.133 50.182 1.554 1.00 0.00 ATOM 1011 O GLY A 130 14.674 52.034 0.134 1.00 0.00 ATOM 1012 C GLY A 130 14.434 51.642 1.282 1.00 0.00 ATOM 1013 N HIS A 131 14.429 52.467 2.384 1.00 0.00 ATOM 1014 CA HIS A 131 14.731 53.887 2.275 1.00 0.00 ATOM 1015 CB HIS A 131 13.600 54.619 3.000 1.00 0.00 ATOM 1016 CG HIS A 131 12.241 54.334 2.444 1.00 0.00 ATOM 1017 CD2 HIS A 131 11.081 53.569 2.875 1.00 0.00 ATOM 1018 ND1 HIS A 131 11.810 54.841 1.236 1.00 0.00 ATOM 1019 CE1 HIS A 131 10.555 54.415 1.006 1.00 0.00 ATOM 1020 NE2 HIS A 131 10.110 53.652 1.984 1.00 0.00 ATOM 1021 O HIS A 131 16.888 54.962 2.377 1.00 0.00 ATOM 1022 C HIS A 131 16.084 54.208 2.922 1.00 0.00 ATOM 1023 N HIS A 132 16.332 53.607 4.081 1.00 0.00 ATOM 1024 CA HIS A 132 17.576 53.821 4.813 1.00 0.00 ATOM 1025 CB HIS A 132 17.277 54.344 6.222 1.00 0.00 ATOM 1026 CG HIS A 132 16.520 55.635 6.238 1.00 0.00 ATOM 1027 CD2 HIS A 132 15.117 56.016 6.326 1.00 0.00 ATOM 1028 ND1 HIS A 132 17.140 56.863 6.156 1.00 0.00 ATOM 1029 CE1 HIS A 132 16.205 57.829 6.195 1.00 0.00 ATOM 1030 NE2 HIS A 132 14.990 57.327 6.297 1.00 0.00 ATOM 1031 O HIS A 132 17.789 51.487 5.315 1.00 0.00 ATOM 1032 C HIS A 132 18.352 52.517 4.940 1.00 0.00 ATOM 1033 N VAL A 133 19.639 52.560 4.600 1.00 0.00 ATOM 1034 CA VAL A 133 20.494 51.383 4.678 1.00 0.00 ATOM 1035 CB VAL A 133 21.782 51.566 3.855 1.00 0.00 ATOM 1036 CG1 VAL A 133 22.688 50.353 4.006 1.00 0.00 ATOM 1037 CG2 VAL A 133 21.453 51.740 2.381 1.00 0.00 ATOM 1038 O VAL A 133 21.712 51.856 6.744 1.00 0.00 ATOM 1039 C VAL A 133 20.949 51.033 6.106 1.00 0.00 ATOM 1040 N VAL A 134 20.482 49.905 6.614 1.00 0.00 ATOM 1041 CA VAL A 134 20.847 49.445 7.944 1.00 0.00 ATOM 1042 CB VAL A 134 19.846 48.508 8.605 1.00 0.00 ATOM 1043 CG1 VAL A 134 20.319 48.170 10.017 1.00 0.00 ATOM 1044 CG2 VAL A 134 18.500 49.223 8.677 1.00 0.00 ATOM 1045 O VAL A 134 22.341 47.743 6.940 1.00 0.00 ATOM 1046 C VAL A 134 22.146 48.650 7.823 1.00 0.00 ATOM 1047 N PHE A 135 23.052 49.008 8.721 1.00 0.00 ATOM 1048 CA PHE A 135 24.459 48.426 8.531 1.00 0.00 ATOM 1049 CB PHE A 135 25.000 49.798 7.476 1.00 0.00 ATOM 1050 CG PHE A 135 25.598 50.758 8.439 1.00 0.00 ATOM 1051 CD1 PHE A 135 26.936 50.649 8.814 1.00 0.00 ATOM 1052 CD2 PHE A 135 24.870 51.849 8.897 1.00 0.00 ATOM 1053 CE1 PHE A 135 27.502 51.584 9.660 1.00 0.00 ATOM 1054 CE2 PHE A 135 25.443 52.757 9.753 1.00 0.00 ATOM 1055 CZ PHE A 135 26.733 52.646 10.109 1.00 0.00 ATOM 1056 O PHE A 135 26.147 47.363 9.832 1.00 0.00 ATOM 1057 C PHE A 135 25.057 47.935 9.836 1.00 0.00 ATOM 1058 N GLY A 136 24.415 48.249 10.954 1.00 0.00 ATOM 1059 CA GLY A 136 24.951 47.820 12.232 1.00 0.00 ATOM 1060 O GLY A 136 22.767 48.085 13.168 1.00 0.00 ATOM 1061 C GLY A 136 23.922 47.710 13.320 1.00 0.00 ATOM 1062 N GLN A 137 24.363 47.268 14.502 1.00 0.00 ATOM 1063 CA GLN A 137 23.516 47.041 15.661 1.00 0.00 ATOM 1064 CB GLN A 137 23.084 45.575 15.725 1.00 0.00 ATOM 1065 CG GLN A 137 22.110 45.264 16.850 1.00 0.00 ATOM 1066 CD GLN A 137 21.651 43.818 16.841 1.00 0.00 ATOM 1067 OE1 GLN A 137 22.083 43.028 16.004 1.00 0.00 ATOM 1068 NE2 GLN A 137 20.773 43.473 17.776 1.00 0.00 ATOM 1069 O GLN A 137 25.420 46.902 17.107 1.00 0.00 ATOM 1070 C GLN A 137 24.288 47.355 16.940 1.00 0.00 ATOM 1071 N VAL A 138 23.655 48.064 17.867 1.00 0.00 ATOM 1072 CA VAL A 138 24.287 48.374 19.148 1.00 0.00 ATOM 1073 CB VAL A 138 23.473 49.357 19.974 1.00 0.00 ATOM 1074 CG1 VAL A 138 24.129 49.505 21.329 1.00 0.00 ATOM 1075 CG2 VAL A 138 23.309 50.675 19.185 1.00 0.00 ATOM 1076 O VAL A 138 23.364 46.384 20.146 1.00 0.00 ATOM 1077 C VAL A 138 24.374 47.069 19.966 1.00 0.00 ATOM 1078 N ILE A 139 25.566 46.741 20.464 1.00 0.00 ATOM 1079 CA ILE A 139 25.751 45.517 21.247 1.00 0.00 ATOM 1080 CB ILE A 139 27.030 44.784 20.800 1.00 0.00 ATOM 1081 CG1 ILE A 139 26.983 44.566 19.282 1.00 0.00 ATOM 1082 CG2 ILE A 139 27.153 43.446 21.518 1.00 0.00 ATOM 1083 CD1 ILE A 139 25.736 43.836 18.797 1.00 0.00 ATOM 1084 O ILE A 139 25.544 44.890 23.560 1.00 0.00 ATOM 1085 C ILE A 139 25.859 45.766 22.755 1.00 0.00 ATOM 1086 N SER A 140 26.352 46.940 23.130 1.00 0.00 ATOM 1087 CA SER A 140 26.463 47.325 24.533 1.00 0.00 ATOM 1088 CB SER A 140 27.772 46.794 25.135 1.00 0.00 ATOM 1089 OG SER A 140 28.919 47.308 24.514 1.00 0.00 ATOM 1090 O SER A 140 26.622 49.552 23.624 1.00 0.00 ATOM 1091 C SER A 140 26.325 48.842 24.592 1.00 0.00 ATOM 1092 N GLY A 141 25.863 49.334 25.736 1.00 0.00 ATOM 1093 CA GLY A 141 25.690 50.767 25.888 1.00 0.00 ATOM 1094 O GLY A 141 24.185 52.485 25.194 1.00 0.00 ATOM 1095 C GLY A 141 24.349 51.281 25.398 1.00 0.00 ATOM 1096 N GLN A 142 23.401 50.378 25.198 1.00 0.00 ATOM 1097 CA GLN A 142 22.078 50.762 24.711 1.00 0.00 ATOM 1098 CB GLN A 142 21.261 49.478 24.405 1.00 0.00 ATOM 1099 CG GLN A 142 21.840 48.651 23.268 1.00 0.00 ATOM 1100 CD GLN A 142 21.096 47.348 23.070 1.00 0.00 ATOM 1101 OE1 GLN A 142 20.815 46.631 24.032 1.00 0.00 ATOM 1102 NE2 GLN A 142 20.778 47.032 21.823 1.00 0.00 ATOM 1103 O GLN A 142 20.606 52.575 25.277 1.00 0.00 ATOM 1104 C GLN A 142 21.422 51.751 25.681 1.00 0.00 ATOM 1105 N GLU A 143 21.806 51.672 26.956 1.00 0.00 ATOM 1106 CA GLU A 143 21.271 52.563 27.987 1.00 0.00 ATOM 1107 CB GLU A 143 21.630 52.073 29.391 1.00 0.00 ATOM 1108 CG GLU A 143 20.984 50.752 29.773 1.00 0.00 ATOM 1109 CD GLU A 143 21.420 50.264 31.141 1.00 0.00 ATOM 1110 OE1 GLU A 143 22.237 50.954 31.785 1.00 0.00 ATOM 1111 OE2 GLU A 143 20.943 49.192 31.568 1.00 0.00 ATOM 1112 O GLU A 143 20.943 54.933 27.891 1.00 0.00 ATOM 1113 C GLU A 143 21.730 53.999 27.733 1.00 0.00 ATOM 1114 N VAL A 144 22.996 54.191 27.332 1.00 0.00 ATOM 1115 CA VAL A 144 23.516 55.521 27.018 1.00 0.00 ATOM 1116 CB VAL A 144 25.027 55.511 26.726 1.00 0.00 ATOM 1117 CG1 VAL A 144 25.512 56.909 26.369 1.00 0.00 ATOM 1118 CG2 VAL A 144 25.803 55.030 27.942 1.00 0.00 ATOM 1119 O VAL A 144 22.446 57.298 25.830 1.00 0.00 ATOM 1120 C VAL A 144 22.717 56.108 25.855 1.00 0.00 ATOM 1121 N VAL A 145 22.311 55.250 24.893 1.00 0.00 ATOM 1122 CA VAL A 145 21.528 55.725 23.755 1.00 0.00 ATOM 1123 CB VAL A 145 21.255 54.573 22.769 1.00 0.00 ATOM 1124 CG1 VAL A 145 20.285 55.018 21.687 1.00 0.00 ATOM 1125 CG2 VAL A 145 22.547 54.125 22.104 1.00 0.00 ATOM 1126 O VAL A 145 19.833 57.419 23.934 1.00 0.00 ATOM 1127 C VAL A 145 20.185 56.289 24.260 1.00 0.00 ATOM 1128 N ARG A 146 19.491 55.542 25.125 1.00 0.00 ATOM 1129 CA ARG A 146 18.230 56.029 25.705 1.00 0.00 ATOM 1130 CB ARG A 146 17.531 54.858 26.440 1.00 0.00 ATOM 1131 CG ARG A 146 17.003 53.771 25.536 1.00 0.00 ATOM 1132 CD ARG A 146 16.221 52.744 26.336 1.00 0.00 ATOM 1133 NE ARG A 146 15.541 51.794 25.468 1.00 0.00 ATOM 1134 CZ ARG A 146 14.846 50.750 25.909 1.00 0.00 ATOM 1135 NH1 ARG A 146 14.746 50.528 27.213 1.00 0.00 ATOM 1136 NH2 ARG A 146 14.258 49.932 25.049 1.00 0.00 ATOM 1137 O ARG A 146 17.572 58.180 26.620 1.00 0.00 ATOM 1138 C ARG A 146 18.428 57.285 26.582 1.00 0.00 ATOM 1139 N GLU A 147 19.584 57.354 27.260 1.00 0.00 ATOM 1140 CA GLU A 147 19.848 58.516 28.094 1.00 0.00 ATOM 1141 CB GLU A 147 21.213 58.344 28.762 1.00 0.00 ATOM 1142 CG GLU A 147 21.593 59.476 29.704 1.00 0.00 ATOM 1143 CD GLU A 147 22.934 59.255 30.372 1.00 0.00 ATOM 1144 OE1 GLU A 147 23.563 58.208 30.109 1.00 0.00 ATOM 1145 OE2 GLU A 147 23.358 60.128 31.158 1.00 0.00 ATOM 1146 O GLU A 147 19.153 60.751 27.478 1.00 0.00 ATOM 1147 C GLU A 147 19.831 59.762 27.187 1.00 0.00 ATOM 1148 N ILE A 148 20.558 59.684 26.072 1.00 0.00 ATOM 1149 CA ILE A 148 20.637 60.772 25.098 1.00 0.00 ATOM 1150 CB ILE A 148 21.597 60.427 23.946 1.00 0.00 ATOM 1151 CG1 ILE A 148 23.036 60.331 24.461 1.00 0.00 ATOM 1152 CG2 ILE A 148 21.543 61.498 22.867 1.00 0.00 ATOM 1153 CD1 ILE A 148 24.005 59.741 23.459 1.00 0.00 ATOM 1154 O ILE A 148 18.882 62.234 24.349 1.00 0.00 ATOM 1155 C ILE A 148 19.265 61.072 24.492 1.00 0.00 ATOM 1156 N GLU A 149 18.525 60.016 24.169 1.00 0.00 ATOM 1157 CA GLU A 149 17.202 60.122 23.556 1.00 0.00 ATOM 1158 CB GLU A 149 16.604 58.733 23.327 1.00 0.00 ATOM 1159 CG GLU A 149 15.269 58.744 22.599 1.00 0.00 ATOM 1160 CD GLU A 149 14.755 57.349 22.303 1.00 0.00 ATOM 1161 OE1 GLU A 149 15.452 56.373 22.648 1.00 0.00 ATOM 1162 OE2 GLU A 149 13.654 57.230 21.726 1.00 0.00 ATOM 1163 O GLU A 149 15.211 61.388 23.823 1.00 0.00 ATOM 1164 C GLU A 149 16.148 60.827 24.385 1.00 0.00 ATOM 1165 N ASN A 150 16.258 60.832 25.688 1.00 0.00 ATOM 1166 CA ASN A 150 15.279 61.481 26.542 1.00 0.00 ATOM 1167 CB ASN A 150 14.968 60.633 27.776 1.00 0.00 ATOM 1168 CG ASN A 150 14.243 59.346 27.431 1.00 0.00 ATOM 1169 ND2 ASN A 150 14.896 58.217 27.675 1.00 0.00 ATOM 1170 OD1 ASN A 150 13.110 59.371 26.951 1.00 0.00 ATOM 1171 O ASN A 150 15.054 63.360 28.006 1.00 0.00 ATOM 1172 C ASN A 150 15.684 62.840 27.087 1.00 0.00 ATOM 1173 N GLN A 151 16.719 63.425 26.491 1.00 0.00 ATOM 1174 CA GLN A 151 17.202 64.742 26.894 1.00 0.00 ATOM 1175 CB GLN A 151 18.583 65.014 26.297 1.00 0.00 ATOM 1176 CG GLN A 151 19.670 64.075 26.797 1.00 0.00 ATOM 1177 CD GLN A 151 19.895 64.189 28.292 1.00 0.00 ATOM 1178 OE1 GLN A 151 20.142 65.277 28.812 1.00 0.00 ATOM 1179 NE2 GLN A 151 19.810 63.063 28.989 1.00 0.00 ATOM 1180 O GLN A 151 15.638 65.680 25.332 1.00 0.00 ATOM 1181 C GLN A 151 16.235 65.815 26.405 1.00 0.00 ATOM 1182 N LYS A 152 16.094 66.883 27.184 1.00 0.00 ATOM 1183 CA LYS A 152 15.202 67.985 26.830 1.00 0.00 ATOM 1184 CB LYS A 152 15.202 69.049 27.929 1.00 0.00 ATOM 1185 CG LYS A 152 14.240 70.199 27.680 1.00 0.00 ATOM 1186 CD LYS A 152 14.227 71.170 28.849 1.00 0.00 ATOM 1187 CE LYS A 152 13.275 72.329 28.592 1.00 0.00 ATOM 1188 NZ LYS A 152 13.241 73.282 29.735 1.00 0.00 ATOM 1189 O LYS A 152 16.848 68.897 25.350 1.00 0.00 ATOM 1190 C LYS A 152 15.666 68.614 25.517 1.00 0.00 ATOM 1191 N THR A 153 14.728 68.846 24.600 1.00 0.00 ATOM 1192 CA THR A 153 15.043 69.436 23.298 1.00 0.00 ATOM 1193 CB THR A 153 14.757 68.464 22.139 1.00 0.00 ATOM 1194 CG2 THR A 153 15.526 67.165 22.331 1.00 0.00 ATOM 1195 OG1 THR A 153 13.357 68.169 22.093 1.00 0.00 ATOM 1196 O THR A 153 13.109 70.819 23.512 1.00 0.00 ATOM 1197 C THR A 153 14.199 70.668 22.966 1.00 0.00 ATOM 1198 N ASP A 154 14.698 71.440 21.963 1.00 0.00 ATOM 1199 CA ASP A 154 13.940 72.635 21.560 1.00 0.00 ATOM 1200 CB ASP A 154 14.919 73.753 21.244 1.00 0.00 ATOM 1201 CG ASP A 154 15.731 73.607 19.985 1.00 0.00 ATOM 1202 OD1 ASP A 154 15.477 72.738 19.180 1.00 0.00 ATOM 1203 OD2 ASP A 154 16.674 74.441 19.815 1.00 0.00 ATOM 1204 O ASP A 154 12.875 71.087 20.064 1.00 0.00 ATOM 1205 C ASP A 154 12.990 72.251 20.403 1.00 0.00 ATOM 1206 N ALA A 155 12.313 73.222 19.829 1.00 0.00 ATOM 1207 CA ALA A 155 11.378 72.954 18.722 1.00 0.00 ATOM 1208 CB ALA A 155 10.721 74.247 18.262 1.00 0.00 ATOM 1209 O ALA A 155 11.175 71.556 16.795 1.00 0.00 ATOM 1210 C ALA A 155 11.914 72.284 17.478 1.00 0.00 ATOM 1211 N ALA A 156 13.241 72.483 17.166 1.00 0.00 ATOM 1212 CA ALA A 156 13.941 71.866 16.078 1.00 0.00 ATOM 1213 CB ALA A 156 15.133 72.722 15.678 1.00 0.00 ATOM 1214 O ALA A 156 15.170 69.826 15.640 1.00 0.00 ATOM 1215 C ALA A 156 14.427 70.431 16.412 1.00 0.00 ATOM 1216 N SER A 157 14.024 69.914 17.575 1.00 0.00 ATOM 1217 CA SER A 157 14.400 68.575 18.051 1.00 0.00 ATOM 1218 CB SER A 157 14.147 67.523 16.968 1.00 0.00 ATOM 1219 OG SER A 157 12.772 67.455 16.633 1.00 0.00 ATOM 1220 O SER A 157 16.401 67.341 18.597 1.00 0.00 ATOM 1221 C SER A 157 15.876 68.449 18.443 1.00 0.00 ATOM 1222 N LYS A 158 16.538 69.594 18.586 1.00 0.00 ATOM 1223 CA LYS A 158 17.943 69.632 18.971 1.00 0.00 ATOM 1224 CB LYS A 158 18.628 70.862 18.374 1.00 0.00 ATOM 1225 CG LYS A 158 18.716 70.843 16.856 1.00 0.00 ATOM 1226 CD LYS A 158 18.934 72.239 16.304 1.00 0.00 ATOM 1227 CE LYS A 158 18.675 72.287 14.806 1.00 0.00 ATOM 1228 NZ LYS A 158 19.095 73.593 14.231 1.00 0.00 ATOM 1229 O LYS A 158 17.370 70.362 21.174 1.00 0.00 ATOM 1230 C LYS A 158 18.052 69.603 20.493 1.00 0.00 ATOM 1231 N PRO A 159 18.900 68.717 21.047 1.00 0.00 ATOM 1232 CA PRO A 159 19.060 68.639 22.503 1.00 0.00 ATOM 1233 CB PRO A 159 20.059 67.498 22.709 1.00 0.00 ATOM 1234 CG PRO A 159 19.914 66.651 21.488 1.00 0.00 ATOM 1235 CD PRO A 159 19.672 67.603 20.349 1.00 0.00 ATOM 1236 O PRO A 159 20.528 70.540 22.498 1.00 0.00 ATOM 1237 C PRO A 159 19.622 69.939 23.079 1.00 0.00 ATOM 1238 N PHE A 160 19.069 70.385 24.204 1.00 0.00 ATOM 1239 CA PHE A 160 19.533 71.601 24.866 1.00 0.00 ATOM 1240 CB PHE A 160 18.659 71.914 26.082 1.00 0.00 ATOM 1241 CG PHE A 160 19.040 73.181 26.793 1.00 0.00 ATOM 1242 CD1 PHE A 160 18.683 74.416 26.278 1.00 0.00 ATOM 1243 CD2 PHE A 160 19.757 73.138 27.974 1.00 0.00 ATOM 1244 CE1 PHE A 160 19.033 75.581 26.933 1.00 0.00 ATOM 1245 CE2 PHE A 160 20.109 74.304 28.629 1.00 0.00 ATOM 1246 CZ PHE A 160 19.750 75.523 28.113 1.00 0.00 ATOM 1247 O PHE A 160 21.815 72.339 25.102 1.00 0.00 ATOM 1248 C PHE A 160 20.993 71.439 25.298 1.00 0.00 ATOM 1249 N ALA A 161 21.311 70.271 25.853 1.00 0.00 ATOM 1250 CA ALA A 161 22.666 69.954 26.297 1.00 0.00 ATOM 1251 CB ALA A 161 22.641 68.766 27.244 1.00 0.00 ATOM 1252 O ALA A 161 23.121 69.249 24.035 1.00 0.00 ATOM 1253 C ALA A 161 23.589 69.610 25.120 1.00 0.00 ATOM 1254 N GLU A 162 24.897 69.730 25.338 1.00 0.00 ATOM 1255 CA GLU A 162 25.894 69.401 24.316 1.00 0.00 ATOM 1256 CB GLU A 162 27.148 70.043 24.646 1.00 0.00 ATOM 1257 CG GLU A 162 27.141 71.334 23.853 1.00 0.00 ATOM 1258 CD GLU A 162 28.392 72.167 24.072 1.00 0.00 ATOM 1259 OE1 GLU A 162 28.578 72.680 25.200 1.00 0.00 ATOM 1260 OE2 GLU A 162 29.191 72.310 23.117 1.00 0.00 ATOM 1261 O GLU A 162 26.796 67.434 25.326 1.00 0.00 ATOM 1262 C GLU A 162 26.200 67.914 24.365 1.00 0.00 ATOM 1263 N VAL A 163 25.754 67.179 23.350 1.00 0.00 ATOM 1264 CA VAL A 163 25.997 65.742 23.291 1.00 0.00 ATOM 1265 CB VAL A 163 24.670 64.947 22.943 1.00 0.00 ATOM 1266 CG1 VAL A 163 24.937 63.444 23.071 1.00 0.00 ATOM 1267 CG2 VAL A 163 23.453 65.375 23.788 1.00 0.00 ATOM 1268 O VAL A 163 26.985 65.590 21.112 1.00 0.00 ATOM 1269 C VAL A 163 27.163 65.570 22.328 1.00 0.00 ATOM 1270 N ARG A 164 28.345 65.322 22.885 1.00 0.00 ATOM 1271 CA ARG A 164 29.568 65.202 22.099 1.00 0.00 ATOM 1272 CB ARG A 164 30.530 66.431 22.373 1.00 0.00 ATOM 1273 CG ARG A 164 31.519 66.240 23.507 1.00 0.00 ATOM 1274 CD ARG A 164 32.330 67.540 23.851 1.00 0.00 ATOM 1275 NE ARG A 164 33.497 67.249 24.705 1.00 0.00 ATOM 1276 CZ ARG A 164 33.485 67.328 26.035 1.00 0.00 ATOM 1277 NH1 ARG A 164 32.412 67.721 26.769 1.00 0.00 ATOM 1278 NH2 ARG A 164 34.606 66.998 26.690 1.00 0.00 ATOM 1279 O ARG A 164 30.188 63.080 23.069 1.00 0.00 ATOM 1280 C ARG A 164 30.216 63.816 22.077 1.00 0.00 ATOM 1281 N ILE A 165 30.791 63.463 20.928 1.00 0.00 ATOM 1282 CA ILE A 165 31.504 62.201 20.793 1.00 0.00 ATOM 1283 CB ILE A 165 31.484 61.684 19.342 1.00 0.00 ATOM 1284 CG1 ILE A 165 30.046 61.446 18.880 1.00 0.00 ATOM 1285 CG2 ILE A 165 32.248 60.374 19.235 1.00 0.00 ATOM 1286 CD1 ILE A 165 29.926 61.105 17.412 1.00 0.00 ATOM 1287 O ILE A 165 33.747 63.040 20.450 1.00 0.00 ATOM 1288 C ILE A 165 32.941 62.531 21.234 1.00 0.00 ATOM 1289 N LEU A 166 33.233 62.251 22.503 1.00 0.00 ATOM 1290 CA LEU A 166 34.545 62.508 23.100 1.00 0.00 ATOM 1291 CB LEU A 166 34.546 62.117 24.579 1.00 0.00 ATOM 1292 CG LEU A 166 35.872 62.275 25.322 1.00 0.00 ATOM 1293 CD1 LEU A 166 36.301 63.735 25.352 1.00 0.00 ATOM 1294 CD2 LEU A 166 35.749 61.787 26.757 1.00 0.00 ATOM 1295 O LEU A 166 36.609 62.236 21.908 1.00 0.00 ATOM 1296 C LEU A 166 35.620 61.687 22.396 1.00 0.00 ATOM 1297 N SER A 167 35.414 60.364 22.350 1.00 0.00 ATOM 1298 CA SER A 167 36.341 59.452 21.695 1.00 0.00 ATOM 1299 CB SER A 167 37.191 58.699 22.719 1.00 0.00 ATOM 1300 OG SER A 167 37.974 59.593 23.488 1.00 0.00 ATOM 1301 O SER A 167 34.408 58.114 21.189 1.00 0.00 ATOM 1302 C SER A 167 35.559 58.428 20.884 1.00 0.00 ATOM 1303 N CYS A 168 36.217 57.880 19.873 1.00 0.00 ATOM 1304 CA CYS A 168 35.639 56.847 19.028 1.00 0.00 ATOM 1305 CB CYS A 168 34.984 57.502 17.834 1.00 0.00 ATOM 1306 SG CYS A 168 33.918 56.307 17.023 1.00 0.00 ATOM 1307 O CYS A 168 37.837 56.655 18.049 1.00 0.00 ATOM 1308 C CYS A 168 36.772 56.102 18.333 1.00 0.00 ATOM 1309 N GLY A 169 36.502 54.873 17.988 1.00 0.00 ATOM 1310 CA GLY A 169 37.510 54.076 17.309 1.00 0.00 ATOM 1311 O GLY A 169 35.906 52.312 17.423 1.00 0.00 ATOM 1312 C GLY A 169 37.074 52.643 17.240 1.00 0.00 ATOM 1313 N GLU A 170 38.024 51.765 17.056 1.00 0.00 ATOM 1314 CA GLU A 170 37.812 50.337 16.919 1.00 0.00 ATOM 1315 CB GLU A 170 38.572 49.734 15.734 1.00 0.00 ATOM 1316 CG GLU A 170 38.125 50.258 14.379 1.00 0.00 ATOM 1317 CD GLU A 170 38.868 49.608 13.230 1.00 0.00 ATOM 1318 OE1 GLU A 170 39.772 48.787 13.495 1.00 0.00 ATOM 1319 OE2 GLU A 170 38.545 49.916 12.063 1.00 0.00 ATOM 1320 O GLU A 170 39.133 50.019 18.912 1.00 0.00 ATOM 1321 C GLU A 170 38.242 49.583 18.175 1.00 0.00 ATOM 1322 N LEU A 171 37.574 48.441 18.382 1.00 0.00 ATOM 1323 CA LEU A 171 37.873 47.602 19.536 1.00 0.00 ATOM 1324 CB LEU A 171 36.676 46.916 20.077 1.00 0.00 ATOM 1325 CG LEU A 171 35.584 47.819 20.666 1.00 0.00 ATOM 1326 CD1 LEU A 171 34.328 46.994 20.909 1.00 0.00 ATOM 1327 CD2 LEU A 171 36.079 48.454 21.965 1.00 0.00 ATOM 1328 O LEU A 171 39.820 46.268 19.999 1.00 0.00 ATOM 1329 C LEU A 171 38.936 46.564 19.188 1.00 0.00 ATOM 1330 N ILE A 172 38.866 46.035 17.979 1.00 0.00 ATOM 1331 CA ILE A 172 39.827 45.039 17.522 1.00 0.00 ATOM 1332 CB ILE A 172 39.137 43.714 17.143 1.00 0.00 ATOM 1333 CG1 ILE A 172 38.420 43.047 18.292 1.00 0.00 ATOM 1334 CG2 ILE A 172 40.152 42.757 16.532 1.00 0.00 ATOM 1335 CD1 ILE A 172 37.582 41.863 17.861 1.00 0.00 ATOM 1336 O ILE A 172 40.065 46.044 15.373 1.00 0.00 ATOM 1337 C ILE A 172 40.636 45.665 16.373 1.00 0.00 ATOM 1338 N PRO A 173 41.936 45.769 16.505 1.00 0.00 ATOM 1339 CA PRO A 173 42.707 46.369 15.403 1.00 0.00 ATOM 1340 CB PRO A 173 44.141 46.136 15.856 1.00 0.00 ATOM 1341 CG PRO A 173 44.066 46.134 17.329 1.00 0.00 ATOM 1342 CD PRO A 173 42.783 45.402 17.682 1.00 0.00 ATOM 1343 O PRO A 173 42.252 44.528 14.014 1.00 0.00 ATOM 1344 C PRO A 173 42.471 45.745 14.031 1.00 0.00 ENDMDL EXPDTA 2gw2A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2gw2A ATOM 1 N ARG A 1 33.379 40.559 11.365 1.00 0.00 ATOM 2 CA ARG A 1 32.600 41.837 11.445 1.00 0.00 ATOM 3 CB ARG A 1 31.191 41.617 12.027 1.00 0.00 ATOM 4 CG ARG A 1 30.171 41.082 11.048 1.00 0.00 ATOM 5 CD ARG A 1 28.749 41.078 11.649 1.00 0.00 ATOM 6 NE ARG A 1 27.834 40.417 10.733 1.00 0.00 ATOM 7 CZ ARG A 1 26.663 39.862 11.064 1.00 0.00 ATOM 8 NH1 ARG A 1 26.227 39.864 12.316 1.00 0.00 ATOM 9 NH2 ARG A 1 25.942 39.263 10.127 1.00 0.00 ATOM 10 O ARG A 1 33.661 42.666 13.432 1.00 0.00 ATOM 11 C ARG A 1 33.328 42.902 12.292 1.00 0.00 ATOM 12 N PRO A 2 33.490 44.113 11.751 1.00 0.00 ATOM 13 CA PRO A 2 34.097 45.215 12.541 1.00 0.00 ATOM 14 CB PRO A 2 34.144 46.389 11.546 1.00 0.00 ATOM 15 CG PRO A 2 33.949 45.784 10.182 1.00 0.00 ATOM 16 CD PRO A 2 33.195 44.509 10.360 1.00 0.00 ATOM 17 O PRO A 2 32.064 45.700 13.724 1.00 0.00 ATOM 18 C PRO A 2 33.305 45.641 13.784 1.00 0.00 ATOM 19 N ARG A 3 34.016 45.965 14.866 1.00 0.00 ATOM 20 CA ARG A 3 33.430 46.688 16.008 1.00 0.00 ATOM 21 CB ARG A 3 33.590 45.902 17.292 1.00 0.00 ATOM 22 CG ARG A 3 32.660 44.740 17.389 1.00 0.00 ATOM 23 CD ARG A 3 33.004 43.893 18.570 1.00 0.00 ATOM 24 NE ARG A 3 32.118 42.729 18.647 1.00 0.00 ATOM 25 CZ ARG A 3 31.918 42.015 19.755 1.00 0.00 ATOM 26 NH1 ARG A 3 32.526 42.346 20.897 1.00 0.00 ATOM 27 NH2 ARG A 3 31.097 40.973 19.731 1.00 0.00 ATOM 28 O ARG A 3 35.203 48.268 16.298 1.00 0.00 ATOM 29 C ARG A 3 33.998 48.085 16.220 1.00 0.00 ATOM 30 N CYS A 4 33.097 49.051 16.363 1.00 0.00 ATOM 31 CA CYS A 4 33.443 50.442 16.611 1.00 0.00 ATOM 32 CB CYS A 4 33.009 51.294 15.435 1.00 0.00 ATOM 33 SG CYS A 4 33.944 50.916 13.995 1.00 0.00 ATOM 34 O CYS A 4 31.887 50.373 18.436 1.00 0.00 ATOM 35 C CYS A 4 32.835 50.964 17.899 1.00 0.00 ATOM 36 N PHE A 5 33.387 52.064 18.393 1.00 0.00 ATOM 37 CA PHE A 5 32.933 52.640 19.637 1.00 0.00 ATOM 38 CB PHE A 5 33.820 52.214 20.839 1.00 0.00 ATOM 39 CG PHE A 5 35.161 52.893 20.883 1.00 0.00 ATOM 40 CD1 PHE A 5 35.323 54.119 21.520 1.00 0.00 ATOM 41 CD2 PHE A 5 36.281 52.306 20.285 1.00 0.00 ATOM 42 CE1 PHE A 5 36.555 54.736 21.543 1.00 0.00 ATOM 43 CE2 PHE A 5 37.525 52.942 20.323 1.00 0.00 ATOM 44 CZ PHE A 5 37.655 54.149 20.943 1.00 0.00 ATOM 45 O PHE A 5 33.480 54.843 18.770 1.00 0.00 ATOM 46 C PHE A 5 32.783 54.167 19.548 1.00 0.00 ATOM 47 N PHE A 6 31.813 54.646 20.333 1.00 0.00 ATOM 48 CA PHE A 6 31.658 56.054 20.760 1.00 0.00 ATOM 49 CB PHE A 6 30.269 56.587 20.423 1.00 0.00 ATOM 50 CG PHE A 6 29.989 56.737 18.953 1.00 0.00 ATOM 51 CD1 PHE A 6 30.997 56.671 17.985 1.00 0.00 ATOM 52 CD2 PHE A 6 28.690 56.952 18.533 1.00 0.00 ATOM 53 CE1 PHE A 6 30.681 56.827 16.642 1.00 0.00 ATOM 54 CE2 PHE A 6 28.401 57.122 17.212 1.00 0.00 ATOM 55 CZ PHE A 6 29.368 57.039 16.269 1.00 0.00 ATOM 56 O PHE A 6 31.092 55.377 23.006 1.00 0.00 ATOM 57 C PHE A 6 31.751 56.137 22.302 1.00 0.00 ATOM 58 N ASP A 7 32.553 57.070 22.794 1.00 0.00 ATOM 59 CA ASP A 7 32.509 57.533 24.190 1.00 0.00 ATOM 60 CB ASP A 7 33.903 57.740 24.771 1.00 0.00 ATOM 61 CG ASP A 7 34.690 56.429 24.928 1.00 0.00 ATOM 62 OD1 ASP A 7 34.157 55.449 25.435 1.00 0.00 ATOM 63 OD2 ASP A 7 35.857 56.392 24.539 1.00 0.00 ATOM 64 O ASP A 7 32.185 59.833 23.567 1.00 0.00 ATOM 65 C ASP A 7 31.741 58.848 24.164 1.00 0.00 ATOM 66 N ILE A 8 30.562 58.815 24.783 1.00 0.00 ATOM 67 CA ILE A 8 29.623 59.910 24.821 1.00 0.00 ATOM 68 CB ILE A 8 28.163 59.390 24.753 1.00 0.00 ATOM 69 CG1 ILE A 8 27.910 58.557 23.462 1.00 0.00 ATOM 70 CG2 ILE A 8 27.191 60.572 24.962 1.00 0.00 ATOM 71 CD1 ILE A 8 28.202 59.311 22.169 1.00 0.00 ATOM 72 O ILE A 8 29.631 60.270 27.217 1.00 0.00 ATOM 73 C ILE A 8 29.712 60.781 26.088 1.00 0.00 ATOM 74 N ALA A 9 29.807 62.096 25.884 1.00 0.00 ATOM 75 CA ALA A 9 29.564 63.080 26.947 1.00 0.00 ATOM 76 CB ALA A 9 30.755 64.053 27.074 1.00 0.00 ATOM 77 O ALA A 9 27.863 64.181 25.592 1.00 0.00 ATOM 78 C ALA A 9 28.276 63.873 26.738 1.00 0.00 ATOM 79 N ILE A 10 27.654 64.236 27.845 1.00 0.00 ATOM 80 CA ILE A 10 26.428 65.057 27.814 1.00 0.00 ATOM 81 CB ILE A 10 25.187 64.292 28.271 1.00 0.00 ATOM 82 CG1 ILE A 10 24.918 63.059 27.365 1.00 0.00 ATOM 83 CG2 ILE A 10 23.908 65.240 28.289 1.00 0.00 ATOM 84 CD1 ILE A 10 23.755 62.222 27.806 1.00 0.00 ATOM 85 O ILE A 10 26.848 66.215 29.908 1.00 0.00 ATOM 86 C ILE A 10 26.693 66.298 28.667 1.00 0.00 ATOM 87 N ASN A 11 26.763 67.446 27.983 1.00 0.00 ATOM 88 CA ASN A 11 27.213 68.688 28.571 1.00 0.00 ATOM 89 CB ASN A 11 26.147 69.265 29.521 1.00 0.00 ATOM 90 CG ASN A 11 25.203 70.189 28.839 1.00 0.00 ATOM 91 ND2 ASN A 11 24.082 70.494 29.509 1.00 0.00 ATOM 92 OD1 ASN A 11 25.468 70.656 27.730 1.00 0.00 ATOM 93 O ASN A 11 28.741 68.842 30.459 1.00 0.00 ATOM 94 C ASN A 11 28.548 68.469 29.281 1.00 0.00 ATOM 95 N ASN A 12 29.420 67.764 28.566 1.00 0.00 ATOM 96 CA ASN A 12 30.811 67.562 28.947 1.00 0.00 ATOM 97 CB ASN A 12 31.458 68.889 29.299 1.00 0.00 ATOM 98 CG ASN A 12 32.865 69.011 28.769 1.00 0.00 ATOM 99 ND2 ASN A 12 33.417 70.221 28.847 1.00 0.00 ATOM 100 OD1 ASN A 12 33.447 68.040 28.271 1.00 0.00 ATOM 101 O ASN A 12 32.212 66.430 30.545 1.00 0.00 ATOM 102 C ASN A 12 31.067 66.572 30.089 1.00 0.00 ATOM 103 N GLN A 13 30.002 65.905 30.538 1.00 0.00 ATOM 104 CA GLN A 13 30.074 64.854 31.532 1.00 0.00 ATOM 105 CB GLN A 13 28.904 64.983 32.467 1.00 0.00 ATOM 106 CG GLN A 13 28.854 63.949 33.549 1.00 0.00 ATOM 107 CD GLN A 13 27.810 64.265 34.584 1.00 0.00 ATOM 108 OE1 GLN A 13 26.683 64.614 34.254 1.00 0.00 ATOM 109 NE2 GLN A 13 28.197 64.159 35.869 1.00 0.00 ATOM 110 O GLN A 13 29.021 63.195 30.158 1.00 0.00 ATOM 111 C GLN A 13 29.978 63.469 30.843 1.00 0.00 ATOM 112 N PRO A 14 30.954 62.591 31.068 1.00 0.00 ATOM 113 CA PRO A 14 30.880 61.252 30.459 1.00 0.00 ATOM 114 CB PRO A 14 32.153 60.559 30.977 1.00 0.00 ATOM 115 CG PRO A 14 33.109 61.697 31.183 1.00 0.00 ATOM 116 CD PRO A 14 32.215 62.782 31.800 1.00 0.00 ATOM 117 O PRO A 14 29.241 60.401 31.993 1.00 0.00 ATOM 118 C PRO A 14 29.589 60.503 30.815 1.00 0.00 ATOM 119 N ALA A 15 28.857 60.046 29.787 1.00 0.00 ATOM 120 CA ALA A 15 27.655 59.204 29.954 1.00 0.00 ATOM 121 CB ALA A 15 26.546 59.605 28.956 1.00 0.00 ATOM 122 O ALA A 15 27.229 56.861 30.209 1.00 0.00 ATOM 123 C ALA A 15 27.992 57.732 29.779 1.00 0.00 ATOM 124 N GLY A 16 29.114 57.463 29.125 1.00 0.00 ATOM 125 CA GLY A 16 29.599 56.105 28.867 1.00 0.00 ATOM 126 O GLY A 16 29.598 56.668 26.521 1.00 0.00 ATOM 127 C GLY A 16 29.795 55.804 27.384 1.00 0.00 ATOM 128 N ARG A 17 30.154 54.542 27.113 1.00 0.00 ATOM 129 CA ARG A 17 30.528 54.043 25.800 1.00 0.00 ATOM 130 CB ARG A 17 31.789 53.161 25.892 1.00 0.00 ATOM 131 CG ARG A 17 32.209 52.536 24.571 1.00 0.00 ATOM 132 CD ARG A 17 33.575 51.835 24.629 1.00 0.00 ATOM 133 NE ARG A 17 34.651 52.776 24.841 1.00 0.00 ATOM 134 CZ ARG A 17 35.948 52.518 24.659 1.00 0.00 ATOM 135 NH1 ARG A 17 36.367 51.327 24.237 1.00 0.00 ATOM 136 NH2 ARG A 17 36.838 53.481 24.891 1.00 0.00 ATOM 137 O ARG A 17 28.862 52.295 25.656 1.00 0.00 ATOM 138 C ARG A 17 29.425 53.227 25.096 1.00 0.00 ATOM 139 N VAL A 18 29.192 53.578 23.842 1.00 0.00 ATOM 140 CA VAL A 18 28.371 52.795 22.930 1.00 0.00 ATOM 141 CB VAL A 18 27.384 53.722 22.178 1.00 0.00 ATOM 142 CG1 VAL A 18 26.567 52.911 21.140 1.00 0.00 ATOM 143 CG2 VAL A 18 26.474 54.509 23.171 1.00 0.00 ATOM 144 O VAL A 18 30.140 52.602 21.270 1.00 0.00 ATOM 145 C VAL A 18 29.281 52.017 21.941 1.00 0.00 ATOM 146 N VAL A 19 29.098 50.703 21.879 1.00 0.00 ATOM 147 CA VAL A 19 29.844 49.820 20.993 1.00 0.00 ATOM 148 CB VAL A 19 30.552 48.652 21.730 1.00 0.00 ATOM 149 CG1 VAL A 19 31.383 47.768 20.722 1.00 0.00 ATOM 150 CG2 VAL A 19 31.488 49.200 22.804 1.00 0.00 ATOM 151 O VAL A 19 27.819 48.751 20.294 1.00 0.00 ATOM 152 C VAL A 19 28.891 49.260 19.944 1.00 0.00 ATOM 153 N PHE A 20 29.312 49.339 18.679 1.00 0.00 ATOM 154 CA PHE A 20 28.549 48.832 17.520 1.00 0.00 ATOM 155 CB PHE A 20 28.370 49.900 16.431 1.00 0.00 ATOM 156 CG PHE A 20 27.829 51.202 16.924 1.00 0.00 ATOM 157 CD1 PHE A 20 26.470 51.378 17.086 1.00 0.00 ATOM 158 CD2 PHE A 20 28.686 52.263 17.195 1.00 0.00 ATOM 159 CE1 PHE A 20 25.979 52.643 17.516 1.00 0.00 ATOM 160 CE2 PHE A 20 28.207 53.478 17.660 1.00 0.00 ATOM 161 CZ PHE A 20 26.873 53.673 17.787 1.00 0.00 ATOM 162 O PHE A 20 30.482 47.602 16.760 1.00 0.00 ATOM 163 C PHE A 20 29.260 47.657 16.843 1.00 0.00 ATOM 164 N GLU A 21 28.461 46.740 16.338 1.00 0.00 ATOM 165 CA GLU A 21 28.939 45.719 15.426 1.00 0.00 ATOM 166 CB GLU A 21 28.366 44.347 15.772 1.00 0.00 ATOM 167 CG GLU A 21 28.785 43.217 14.818 1.00 0.00 ATOM 168 CD GLU A 21 28.476 41.833 15.391 1.00 0.00 ATOM 169 OE1 GLU A 21 29.034 41.489 16.466 1.00 0.00 ATOM 170 OE2 GLU A 21 27.678 41.102 14.766 1.00 0.00 ATOM 171 O GLU A 21 27.323 46.579 13.869 1.00 0.00 ATOM 172 C GLU A 21 28.477 46.175 14.048 1.00 0.00 ATOM 173 N LEU A 22 29.377 46.087 13.085 1.00 0.00 ATOM 174 CA LEU A 22 29.075 46.453 11.711 1.00 0.00 ATOM 175 CB LEU A 22 30.164 47.387 11.197 1.00 0.00 ATOM 176 CG LEU A 22 30.418 48.628 12.062 1.00 0.00 ATOM 177 CD1 LEU A 22 31.439 49.505 11.327 1.00 0.00 ATOM 178 CD2 LEU A 22 29.119 49.413 12.374 1.00 0.00 ATOM 179 O LEU A 22 29.690 44.274 10.826 1.00 0.00 ATOM 180 C LEU A 22 28.881 45.228 10.806 1.00 0.00 ATOM 181 N PHE A 23 27.754 45.231 10.080 1.00 0.00 ATOM 182 CA PHE A 23 27.319 44.102 9.222 1.00 0.00 ATOM 183 CB PHE A 23 25.783 44.093 8.965 1.00 0.00 ATOM 184 CG PHE A 23 24.923 44.117 10.217 1.00 0.00 ATOM 185 CD1 PHE A 23 25.275 43.387 11.361 1.00 0.00 ATOM 186 CD2 PHE A 23 23.728 44.848 10.241 1.00 0.00 ATOM 187 CE1 PHE A 23 24.507 43.406 12.516 1.00 0.00 ATOM 188 CE2 PHE A 23 22.921 44.885 11.394 1.00 0.00 ATOM 189 CZ PHE A 23 23.293 44.124 12.547 1.00 0.00 ATOM 190 O PHE A 23 27.508 44.318 6.807 1.00 0.00 ATOM 191 C PHE A 23 28.088 44.161 7.881 1.00 0.00 ATOM 192 N SER A 24 29.407 44.040 7.956 1.00 0.00 ATOM 193 CA SER A 24 30.255 44.215 6.790 1.00 0.00 ATOM 194 CB SER A 24 31.738 44.270 7.210 1.00 0.00 ATOM 195 OG SER A 24 32.117 43.095 7.938 1.00 0.00 ATOM 196 O SER A 24 30.315 43.285 4.586 1.00 0.00 ATOM 197 C SER A 24 30.016 43.112 5.760 1.00 0.00 ATOM 198 N ASP A 25 29.450 41.990 6.193 1.00 0.00 ATOM 199 CA ASP A 25 29.041 40.919 5.263 1.00 0.00 ATOM 200 CB ASP A 25 28.835 39.564 5.996 1.00 0.00 ATOM 201 CG ASP A 25 27.838 39.653 7.166 1.00 0.00 ATOM 202 OD1 ASP A 25 27.906 40.642 7.929 1.00 0.00 ATOM 203 OD2 ASP A 25 26.991 38.734 7.315 1.00 0.00 ATOM 204 O ASP A 25 27.495 40.668 3.477 1.00 0.00 ATOM 205 C ASP A 25 27.794 41.308 4.460 1.00 0.00 ATOM 206 N VAL A 26 27.080 42.359 4.888 1.00 0.00 ATOM 207 CA VAL A 26 25.809 42.758 4.258 1.00 0.00 ATOM 208 CB VAL A 26 24.685 42.943 5.309 1.00 0.00 ATOM 209 CG1 VAL A 26 23.396 43.523 4.662 1.00 0.00 ATOM 210 CG2 VAL A 26 24.393 41.613 6.024 1.00 0.00 ATOM 211 O VAL A 26 25.384 44.096 2.292 1.00 0.00 ATOM 212 C VAL A 26 25.943 44.026 3.409 1.00 0.00 ATOM 213 N CYS A 27 26.651 45.023 3.949 1.00 0.00 ATOM 214 CA CYS A 27 26.852 46.332 3.314 1.00 0.00 ATOM 215 CB CYS A 27 25.955 47.405 3.964 1.00 0.00 ATOM 216 SG CYS A 27 24.317 46.929 4.481 1.00 0.00 ATOM 217 O CYS A 27 28.528 47.727 4.242 1.00 0.00 ATOM 218 C CYS A 27 28.288 46.785 3.494 1.00 0.00 ATOM 219 N PRO A 28 29.238 46.128 2.849 1.00 0.00 ATOM 220 CA PRO A 28 30.632 46.435 3.150 1.00 0.00 ATOM 221 CB PRO A 28 31.411 45.457 2.251 1.00 0.00 ATOM 222 CG PRO A 28 30.457 45.122 1.140 1.00 0.00 ATOM 223 CD PRO A 28 29.116 45.055 1.836 1.00 0.00 ATOM 224 O PRO A 28 31.837 48.384 3.701 1.00 0.00 ATOM 225 C PRO A 28 31.066 47.880 2.917 1.00 0.00 ATOM 226 N LYS A 29 30.524 48.551 1.896 1.00 0.00 ATOM 227 CA LYS A 29 30.955 49.899 1.538 1.00 0.00 ATOM 228 CB LYS A 29 30.486 50.277 0.105 1.00 0.00 ATOM 229 CG LYS A 29 31.204 51.513 -0.461 1.00 0.00 ATOM 230 CD LYS A 29 30.949 51.831 -1.932 1.00 0.00 ATOM 231 CE LYS A 29 31.682 53.129 -2.305 1.00 0.00 ATOM 232 NZ LYS A 29 31.867 53.400 -3.795 1.00 0.00 ATOM 233 O LYS A 29 31.241 51.782 3.025 1.00 0.00 ATOM 234 C LYS A 29 30.472 50.904 2.596 1.00 0.00 ATOM 235 N THR A 30 29.210 50.722 3.026 1.00 0.00 ATOM 236 CA THR A 30 28.586 51.464 4.112 1.00 0.00 ATOM 237 CB THR A 30 27.102 51.025 4.274 1.00 0.00 ATOM 238 CG2 THR A 30 26.357 51.978 5.284 1.00 0.00 ATOM 239 OG1 THR A 30 26.454 51.086 2.994 1.00 0.00 ATOM 240 O THR A 30 29.643 52.285 6.116 1.00 0.00 ATOM 241 C THR A 30 29.339 51.303 5.442 1.00 0.00 ATOM 242 N CYS A 31 29.704 50.061 5.748 1.00 0.00 ATOM 243 CA CYS A 31 30.448 49.719 6.944 1.00 0.00 ATOM 244 CB CYS A 31 30.481 48.177 7.136 1.00 0.00 ATOM 245 SG CYS A 31 28.856 47.531 7.685 1.00 0.00 ATOM 246 O CYS A 31 32.299 50.874 7.924 1.00 0.00 ATOM 247 C CYS A 31 31.841 50.336 6.911 1.00 0.00 ATOM 248 N GLU A 32 32.491 50.322 5.752 1.00 0.00 ATOM 249 CA GLU A 32 33.879 50.842 5.665 1.00 0.00 ATOM 250 CB GLU A 32 34.506 50.495 4.314 1.00 0.00 ATOM 251 CG GLU A 32 35.876 51.030 4.156 1.00 0.00 ATOM 252 CD GLU A 32 36.890 50.409 5.116 1.00 0.00 ATOM 253 OE1 GLU A 32 36.573 49.425 5.853 1.00 0.00 ATOM 254 OE2 GLU A 32 38.036 50.894 5.104 1.00 0.00 ATOM 255 O GLU A 32 34.780 52.815 6.645 1.00 0.00 ATOM 256 C GLU A 32 33.920 52.333 5.930 1.00 0.00 ATOM 257 N ASN A 33 32.921 53.046 5.402 1.00 0.00 ATOM 258 CA ASN A 33 32.747 54.451 5.605 1.00 0.00 ATOM 259 CB ASN A 33 31.476 54.924 4.841 1.00 0.00 ATOM 260 CG ASN A 33 31.223 56.407 4.999 1.00 0.00 ATOM 261 ND2 ASN A 33 30.027 56.777 5.519 1.00 0.00 ATOM 262 OD1 ASN A 33 32.090 57.217 4.683 1.00 0.00 ATOM 263 O ASN A 33 33.465 55.607 7.620 1.00 0.00 ATOM 264 C ASN A 33 32.667 54.779 7.111 1.00 0.00 ATOM 265 N PHE A 34 31.703 54.145 7.792 1.00 0.00 ATOM 266 CA PHE A 34 31.462 54.345 9.219 1.00 0.00 ATOM 267 CB PHE A 34 30.254 53.561 9.711 1.00 0.00 ATOM 268 CG PHE A 34 29.825 53.892 11.139 1.00 0.00 ATOM 269 CD1 PHE A 34 28.936 54.966 11.393 1.00 0.00 ATOM 270 CD2 PHE A 34 30.241 53.102 12.223 1.00 0.00 ATOM 271 CE1 PHE A 34 28.518 55.230 12.630 1.00 0.00 ATOM 272 CE2 PHE A 34 29.837 53.393 13.480 1.00 0.00 ATOM 273 CZ PHE A 34 28.935 54.451 13.694 1.00 0.00 ATOM 274 O PHE A 34 33.143 54.708 10.886 1.00 0.00 ATOM 275 C PHE A 34 32.701 53.958 10.018 1.00 0.00 ATOM 276 N ARG A 35 33.290 52.822 9.685 1.00 0.00 ATOM 277 CA ARG A 35 34.518 52.406 10.349 1.00 0.00 ATOM 278 CB ARG A 35 35.075 51.109 9.749 1.00 0.00 ATOM 279 CG ARG A 35 36.255 50.512 10.516 1.00 0.00 ATOM 280 CD ARG A 35 36.874 49.335 9.745 1.00 0.00 ATOM 281 NE ARG A 35 37.618 49.839 8.604 1.00 0.00 ATOM 282 CZ ARG A 35 38.809 50.430 8.697 1.00 0.00 ATOM 283 NH1 ARG A 35 39.419 50.591 9.877 1.00 0.00 ATOM 284 NH2 ARG A 35 39.389 50.886 7.611 1.00 0.00 ATOM 285 O ARG A 35 36.076 53.930 11.379 1.00 0.00 ATOM 286 C ARG A 35 35.571 53.525 10.316 1.00 0.00 ATOM 287 N CYS A 36 35.848 54.049 9.115 1.00 0.00 ATOM 288 CA CYS A 36 36.908 55.019 8.901 1.00 0.00 ATOM 289 CB CYS A 36 37.153 55.184 7.422 1.00 0.00 ATOM 290 SG CYS A 36 37.940 53.865 6.666 1.00 0.00 ATOM 291 O CYS A 36 37.491 57.114 9.903 1.00 0.00 ATOM 292 C CYS A 36 36.593 56.383 9.506 1.00 0.00 ATOM 293 N LEU A 37 35.309 56.733 9.550 1.00 0.00 ATOM 294 CA LEU A 37 34.874 57.949 10.238 1.00 0.00 ATOM 295 CB LEU A 37 33.383 58.241 9.929 1.00 0.00 ATOM 296 CG LEU A 37 33.105 58.707 8.464 1.00 0.00 ATOM 297 CD1 LEU A 37 31.597 58.597 8.068 1.00 0.00 ATOM 298 CD2 LEU A 37 33.613 60.087 8.222 1.00 0.00 ATOM 299 O LEU A 37 35.305 58.900 12.414 1.00 0.00 ATOM 300 C LEU A 37 35.118 57.867 11.752 1.00 0.00 ATOM 301 N CYS A 38 35.110 56.648 12.288 1.00 0.00 ATOM 302 CA CYS A 38 35.335 56.417 13.727 1.00 0.00 ATOM 303 CB CYS A 38 34.797 55.054 14.175 1.00 0.00 ATOM 304 SG CYS A 38 32.994 54.897 14.225 1.00 0.00 ATOM 305 O CYS A 38 37.203 57.055 15.114 1.00 0.00 ATOM 306 C CYS A 38 36.816 56.512 14.057 1.00 0.00 ATOM 307 N THR A 39 37.640 56.007 13.139 1.00 0.00 ATOM 308 CA THR A 39 39.077 56.053 13.312 1.00 0.00 ATOM 309 CB THR A 39 39.786 54.873 12.576 1.00 0.00 ATOM 310 CG2 THR A 39 39.101 53.525 12.871 1.00 0.00 ATOM 311 OG1 THR A 39 39.845 55.128 11.159 1.00 0.00 ATOM 312 O THR A 39 40.715 57.777 13.357 1.00 0.00 ATOM 313 C THR A 39 39.670 57.374 12.854 1.00 0.00 ATOM 314 N GLY A 40 39.010 58.029 11.891 1.00 0.00 ATOM 315 CA GLY A 40 39.509 59.235 11.234 1.00 0.00 ATOM 316 O GLY A 40 41.320 59.907 9.814 1.00 0.00 ATOM 317 C GLY A 40 40.635 58.975 10.229 1.00 0.00 ATOM 318 N GLU A 41 40.830 57.712 9.837 1.00 0.00 ATOM 319 CA GLU A 41 42.031 57.297 9.075 1.00 0.00 ATOM 320 CB GLU A 41 42.174 55.785 9.089 1.00 0.00 ATOM 321 CG GLU A 41 41.101 55.026 8.382 1.00 0.00 ATOM 322 CD GLU A 41 41.242 53.552 8.654 1.00 0.00 ATOM 323 OE1 GLU A 41 40.996 53.116 9.808 1.00 0.00 ATOM 324 OE2 GLU A 41 41.647 52.838 7.718 1.00 0.00 ATOM 325 O GLU A 41 43.249 57.843 7.049 1.00 0.00 ATOM 326 C GLU A 41 42.138 57.805 7.620 1.00 0.00 ATOM 327 N LYS A 42 41.005 58.195 7.040 1.00 0.00 ATOM 328 CA LYS A 42 40.958 58.685 5.653 1.00 0.00 ATOM 329 CB LYS A 42 39.601 58.301 4.999 1.00 0.00 ATOM 330 CG LYS A 42 39.364 56.814 4.854 1.00 0.00 ATOM 331 CD LYS A 42 40.351 56.153 3.908 1.00 0.00 ATOM 332 CE LYS A 42 39.886 54.800 3.430 1.00 0.00 ATOM 333 NZ LYS A 42 40.980 53.897 2.907 1.00 0.00 ATOM 334 O LYS A 42 41.335 60.767 4.416 1.00 0.00 ATOM 335 C LYS A 42 41.259 60.211 5.524 1.00 0.00 ATOM 336 N GLY A 43 41.455 60.884 6.649 1.00 0.00 ATOM 337 CA GLY A 43 41.916 62.267 6.616 1.00 0.00 ATOM 338 O GLY A 43 39.905 63.439 7.112 1.00 0.00 ATOM 339 C GLY A 43 40.854 63.325 6.349 1.00 0.00 ATOM 340 N THR A 44 41.047 64.130 5.295 1.00 0.00 ATOM 341 CA THR A 44 40.231 65.341 5.085 1.00 0.00 ATOM 342 CB THR A 44 41.070 66.527 4.584 1.00 0.00 ATOM 343 CG2 THR A 44 40.181 67.763 4.407 1.00 0.00 ATOM 344 OG1 THR A 44 42.102 66.810 5.534 1.00 0.00 ATOM 345 O THR A 44 39.292 64.575 3.020 1.00 0.00 ATOM 346 C THR A 44 39.095 65.133 4.095 1.00 0.00 ATOM 347 N GLY A 45 37.917 65.616 4.462 1.00 0.00 ATOM 348 CA GLY A 45 36.740 65.533 3.615 1.00 0.00 ATOM 349 O GLY A 45 37.742 67.316 2.328 1.00 0.00 ATOM 350 C GLY A 45 37.023 66.290 2.327 1.00 0.00 ATOM 351 N LYS A 46 36.520 65.765 1.222 1.00 0.00 ATOM 352 CA LYS A 46 36.882 66.339 -0.058 1.00 0.00 ATOM 353 CB LYS A 46 36.723 65.346 -1.209 1.00 0.00 ATOM 354 CG LYS A 46 37.355 65.848 -2.483 1.00 0.00 ATOM 355 CD LYS A 46 38.841 66.230 -2.314 1.00 0.00 ATOM 356 CE LYS A 46 39.263 67.257 -3.333 1.00 0.00 ATOM 357 NZ LYS A 46 39.226 66.687 -4.695 1.00 0.00 ATOM 358 O LYS A 46 36.811 68.627 -0.642 1.00 0.00 ATOM 359 C LYS A 46 36.153 67.646 -0.323 1.00 0.00 ATOM 360 N SER A 47 34.824 67.669 -0.174 1.00 0.00 ATOM 361 CA SER A 47 34.037 68.890 -0.343 1.00 0.00 ATOM 362 CB SER A 47 32.589 68.570 -0.758 1.00 0.00 ATOM 363 OG SER A 47 31.866 67.816 0.217 1.00 0.00 ATOM 364 O SER A 47 34.033 70.979 0.828 1.00 0.00 ATOM 365 C SER A 47 34.054 69.755 0.918 1.00 0.00 ATOM 366 N THR A 48 34.083 69.109 2.083 1.00 0.00 ATOM 367 CA THR A 48 33.916 69.778 3.368 1.00 0.00 ATOM 368 CB THR A 48 33.429 68.782 4.477 1.00 0.00 ATOM 369 CG2 THR A 48 32.003 68.226 4.142 1.00 0.00 ATOM 370 OG1 THR A 48 34.367 67.688 4.601 1.00 0.00 ATOM 371 O THR A 48 35.180 71.473 4.489 1.00 0.00 ATOM 372 C THR A 48 35.219 70.444 3.819 1.00 0.00 ATOM 373 N GLN A 49 36.355 69.847 3.445 1.00 0.00 ATOM 374 CA GLN A 49 37.683 70.277 3.894 1.00 0.00 ATOM 375 CB GLN A 49 38.044 71.665 3.307 1.00 0.00 ATOM 376 CG GLN A 49 38.358 71.611 1.797 1.00 0.00 ATOM 377 CD GLN A 49 39.398 70.537 1.465 1.00 0.00 ATOM 378 OE1 GLN A 49 40.581 70.663 1.798 1.00 0.00 ATOM 379 NE2 GLN A 49 38.954 69.467 0.814 1.00 0.00 ATOM 380 O GLN A 49 38.514 71.014 6.053 1.00 0.00 ATOM 381 C GLN A 49 37.839 70.204 5.430 1.00 0.00 ATOM 382 N LYS A 50 37.182 69.208 6.013 1.00 0.00 ATOM 383 CA LYS A 50 37.227 68.953 7.434 1.00 0.00 ATOM 384 CB LYS A 50 35.926 69.388 8.105 1.00 0.00 ATOM 385 CG LYS A 50 35.869 70.898 8.333 1.00 0.00 ATOM 386 CD LYS A 50 34.439 71.402 8.331 1.00 0.00 ATOM 387 CE LYS A 50 34.389 72.938 8.471 1.00 0.00 ATOM 388 NZ LYS A 50 35.154 73.430 9.653 1.00 0.00 ATOM 389 O LYS A 50 37.108 66.652 6.763 1.00 0.00 ATOM 390 C LYS A 50 37.462 67.474 7.648 1.00 0.00 ATOM 391 N PRO A 51 38.044 67.127 8.816 1.00 0.00 ATOM 392 CA PRO A 51 38.375 65.747 9.096 1.00 0.00 ATOM 393 CB PRO A 51 38.771 65.777 10.569 1.00 0.00 ATOM 394 CG PRO A 51 39.242 67.120 10.805 1.00 0.00 ATOM 395 CD PRO A 51 38.421 67.996 9.951 1.00 0.00 ATOM 396 O PRO A 51 36.059 65.155 9.375 1.00 0.00 ATOM 397 C PRO A 51 37.170 64.843 8.906 1.00 0.00 ATOM 398 N LEU A 52 37.409 63.740 8.211 1.00 0.00 ATOM 399 CA LEU A 52 36.467 62.648 8.110 1.00 0.00 ATOM 400 CB LEU A 52 36.831 61.769 6.904 1.00 0.00 ATOM 401 CG LEU A 52 36.710 62.413 5.521 1.00 0.00 ATOM 402 CD1 LEU A 52 37.610 61.668 4.476 1.00 0.00 ATOM 403 CD2 LEU A 52 35.245 62.529 5.108 1.00 0.00 ATOM 404 O LEU A 52 37.084 60.753 9.467 1.00 0.00 ATOM 405 C LEU A 52 36.541 61.849 9.424 1.00 0.00 ATOM 406 N HIS A 53 35.946 62.399 10.490 1.00 0.00 ATOM 407 CA HIS A 53 36.134 61.879 11.850 1.00 0.00 ATOM 408 CB HIS A 53 37.483 62.385 12.423 1.00 0.00 ATOM 409 CG HIS A 53 38.049 61.560 13.545 1.00 0.00 ATOM 410 CD2 HIS A 53 37.760 60.310 13.987 1.00 0.00 ATOM 411 ND1 HIS A 53 39.057 62.032 14.362 1.00 0.00 ATOM 412 CE1 HIS A 53 39.355 61.112 15.263 1.00 0.00 ATOM 413 NE2 HIS A 53 38.602 60.044 15.036 1.00 0.00 ATOM 414 O HIS A 53 34.544 63.508 12.734 1.00 0.00 ATOM 415 C HIS A 53 34.939 62.318 12.715 1.00 0.00 ATOM 416 N TYR A 54 34.383 61.347 13.434 1.00 0.00 ATOM 417 CA TYR A 54 33.296 61.582 14.362 1.00 0.00 ATOM 418 CB TYR A 54 32.557 60.258 14.645 1.00 0.00 ATOM 419 CG TYR A 54 31.703 59.692 13.510 1.00 0.00 ATOM 420 CD1 TYR A 54 30.892 60.517 12.734 1.00 0.00 ATOM 421 CD2 TYR A 54 31.670 58.308 13.253 1.00 0.00 ATOM 422 CE1 TYR A 54 30.102 60.014 11.723 1.00 0.00 ATOM 423 CE2 TYR A 54 30.847 57.777 12.250 1.00 0.00 ATOM 424 CZ TYR A 54 30.065 58.634 11.495 1.00 0.00 ATOM 425 OH TYR A 54 29.240 58.205 10.496 1.00 0.00 ATOM 426 O TYR A 54 32.987 62.691 16.437 1.00 0.00 ATOM 427 C TYR A 54 33.776 62.213 15.678 1.00 0.00 ATOM 428 N LYS A 55 35.067 62.201 15.965 1.00 0.00 ATOM 429 CA LYS A 55 35.543 62.793 17.227 1.00 0.00 ATOM 430 CB LYS A 55 37.061 62.699 17.302 1.00 0.00 ATOM 431 CG LYS A 55 37.680 63.324 18.535 1.00 0.00 ATOM 432 CD LYS A 55 39.171 63.426 18.359 1.00 0.00 ATOM 433 CE LYS A 55 39.815 64.152 19.539 1.00 0.00 ATOM 434 NZ LYS A 55 39.701 63.327 20.780 1.00 0.00 ATOM 435 O LYS A 55 35.140 65.015 16.328 1.00 0.00 ATOM 436 C LYS A 55 35.062 64.264 17.312 1.00 0.00 ATOM 437 N SER A 56 34.481 64.606 18.461 1.00 0.00 ATOM 438 CA SER A 56 33.845 65.915 18.737 1.00 0.00 ATOM 439 CB SER A 56 34.840 67.052 18.512 1.00 0.00 ATOM 440 OG SER A 56 35.959 66.874 19.332 1.00 0.00 ATOM 441 O SER A 56 31.963 67.300 18.086 1.00 0.00 ATOM 442 C SER A 56 32.512 66.191 17.992 1.00 0.00 ATOM 443 N CYS A 57 32.016 65.207 17.237 1.00 0.00 ATOM 444 CA CYS A 57 30.718 65.307 16.567 1.00 0.00 ATOM 445 CB CYS A 57 30.577 64.180 15.524 1.00 0.00 ATOM 446 SG CYS A 57 29.347 64.472 14.250 1.00 0.00 ATOM 447 O CYS A 57 29.678 64.616 18.617 1.00 0.00 ATOM 448 C CYS A 57 29.557 65.231 17.555 1.00 0.00 ATOM 449 N LEU A 58 28.428 65.835 17.164 1.00 0.00 ATOM 450 CA LEU A 58 27.230 65.907 17.970 1.00 0.00 ATOM 451 CB LEU A 58 26.633 67.334 17.902 1.00 0.00 ATOM 452 CG LEU A 58 27.356 68.506 18.581 1.00 0.00 ATOM 453 CD1 LEU A 58 26.476 69.771 18.508 1.00 0.00 ATOM 454 CD2 LEU A 58 27.762 68.173 20.002 1.00 0.00 ATOM 455 O LEU A 58 26.089 64.633 16.292 1.00 0.00 ATOM 456 C LEU A 58 26.160 64.929 17.472 1.00 0.00 ATOM 457 N PHE A 59 25.382 64.398 18.400 1.00 0.00 ATOM 458 CA PHE A 59 24.037 63.883 18.108 1.00 0.00 ATOM 459 CB PHE A 59 23.582 62.894 19.184 1.00 0.00 ATOM 460 CG PHE A 59 24.270 61.545 19.082 1.00 0.00 ATOM 461 CD1 PHE A 59 23.585 60.434 18.619 1.00 0.00 ATOM 462 CD2 PHE A 59 25.632 61.408 19.411 1.00 0.00 ATOM 463 CE1 PHE A 59 24.204 59.184 18.515 1.00 0.00 ATOM 464 CE2 PHE A 59 26.274 60.173 19.307 1.00 0.00 ATOM 465 CZ PHE A 59 25.569 59.057 18.854 1.00 0.00 ATOM 466 O PHE A 59 22.766 65.675 19.054 1.00 0.00 ATOM 467 C PHE A 59 23.177 65.142 18.036 1.00 0.00 ATOM 468 N HIS A 60 23.024 65.677 16.827 1.00 0.00 ATOM 469 CA HIS A 60 22.288 66.943 16.594 1.00 0.00 ATOM 470 CB HIS A 60 22.767 67.638 15.303 1.00 0.00 ATOM 471 CG HIS A 60 22.444 66.868 14.063 1.00 0.00 ATOM 472 CD2 HIS A 60 21.394 66.949 13.204 1.00 0.00 ATOM 473 ND1 HIS A 60 23.229 65.830 13.616 1.00 0.00 ATOM 474 CE1 HIS A 60 22.694 65.319 12.520 1.00 0.00 ATOM 475 NE2 HIS A 60 21.581 65.982 12.248 1.00 0.00 ATOM 476 O HIS A 60 20.065 67.786 16.407 1.00 0.00 ATOM 477 C HIS A 60 20.782 66.777 16.482 1.00 0.00 ATOM 478 N ARG A 61 20.279 65.542 16.465 1.00 0.00 ATOM 479 CA ARG A 61 18.817 65.373 16.412 1.00 0.00 ATOM 480 CB ARG A 61 18.333 65.325 14.960 1.00 0.00 ATOM 481 CG ARG A 61 16.862 64.944 14.795 1.00 0.00 ATOM 482 CD ARG A 61 16.274 65.419 13.458 1.00 0.00 ATOM 483 NE ARG A 61 14.803 65.317 13.489 1.00 0.00 ATOM 484 CZ ARG A 61 13.938 66.340 13.463 1.00 0.00 ATOM 485 NH1 ARG A 61 14.345 67.608 13.347 1.00 0.00 ATOM 486 NH2 ARG A 61 12.632 66.085 13.540 1.00 0.00 ATOM 487 O ARG A 61 19.054 63.105 17.187 1.00 0.00 ATOM 488 C ARG A 61 18.401 64.151 17.234 1.00 0.00 ATOM 489 N VAL A 62 17.349 64.339 18.033 1.00 0.00 ATOM 490 CA VAL A 62 16.837 63.353 18.976 1.00 0.00 ATOM 491 CB VAL A 62 17.340 63.603 20.423 1.00 0.00 ATOM 492 CG1 VAL A 62 16.497 62.778 21.453 1.00 0.00 ATOM 493 CG2 VAL A 62 18.921 63.326 20.573 1.00 0.00 ATOM 494 O VAL A 62 14.713 64.473 19.175 1.00 0.00 ATOM 495 C VAL A 62 15.314 63.407 18.973 1.00 0.00 ATOM 496 N VAL A 63 14.695 62.263 18.733 1.00 0.00 ATOM 497 CA VAL A 63 13.227 62.165 18.717 1.00 0.00 ATOM 498 CB VAL A 63 12.687 62.069 17.278 1.00 0.00 ATOM 499 CG1 VAL A 63 11.184 61.838 17.289 1.00 0.00 ATOM 500 CG2 VAL A 63 13.055 63.307 16.486 1.00 0.00 ATOM 501 O VAL A 63 12.925 59.804 19.184 1.00 0.00 ATOM 502 C VAL A 63 12.797 60.955 19.586 1.00 0.00 ATOM 503 N LYS A 64 12.319 61.250 20.792 1.00 0.00 ATOM 504 CA LYS A 64 11.915 60.230 21.758 1.00 0.00 ATOM 505 CB LYS A 64 11.297 60.883 23.011 1.00 0.00 ATOM 506 CG LYS A 64 10.767 59.895 24.103 1.00 0.00 ATOM 507 CD LYS A 64 11.897 59.129 24.829 1.00 0.00 ATOM 508 CE LYS A 64 11.412 58.317 26.063 1.00 0.00 ATOM 509 NZ LYS A 64 10.205 57.602 25.715 1.00 0.00 ATOM 510 O LYS A 64 10.038 59.699 20.337 1.00 0.00 ATOM 511 C LYS A 64 10.929 59.270 21.088 1.00 0.00 ATOM 512 N ASP A 65 11.132 57.985 21.331 1.00 0.00 ATOM 513 CA ASP A 65 10.346 56.895 20.732 1.00 0.00 ATOM 514 CB ASP A 65 8.855 57.044 21.038 1.00 0.00 ATOM 515 CG ASP A 65 8.526 56.805 22.501 1.00 0.00 ATOM 516 OD1 ASP A 65 9.218 55.994 23.177 1.00 0.00 ATOM 517 OD2 ASP A 65 7.545 57.428 22.977 1.00 0.00 ATOM 518 O ASP A 65 9.850 55.990 18.562 1.00 0.00 ATOM 519 C ASP A 65 10.599 56.698 19.238 1.00 0.00 ATOM 520 N PHE A 66 11.702 57.244 18.719 1.00 0.00 ATOM 521 CA PHE A 66 12.000 57.075 17.291 1.00 0.00 ATOM 522 CB PHE A 66 11.473 58.308 16.539 1.00 0.00 ATOM 523 CG PHE A 66 11.688 58.299 15.068 1.00 0.00 ATOM 524 CD1 PHE A 66 11.585 57.126 14.311 1.00 0.00 ATOM 525 CD2 PHE A 66 11.939 59.497 14.397 1.00 0.00 ATOM 526 CE1 PHE A 66 11.771 57.153 12.905 1.00 0.00 ATOM 527 CE2 PHE A 66 12.120 59.520 13.004 1.00 0.00 ATOM 528 CZ PHE A 66 12.037 58.352 12.266 1.00 0.00 ATOM 529 O PHE A 66 13.818 55.631 16.679 1.00 0.00 ATOM 530 C PHE A 66 13.469 56.774 17.024 1.00 0.00 ATOM 531 N MET A 67 14.336 57.767 17.219 1.00 0.00 ATOM 532 CA MET A 67 15.769 57.589 16.945 1.00 0.00 ATOM 533 CB MET A 67 15.991 57.377 15.430 1.00 0.00 ATOM 534 CG MET A 67 15.601 58.604 14.533 1.00 0.00 ATOM 535 SD MET A 67 16.880 59.858 14.526 1.00 0.00 ATOM 536 CE MET A 67 16.004 61.382 14.097 1.00 0.00 ATOM 537 O MET A 67 16.107 59.826 17.847 1.00 0.00 ATOM 538 C MET A 67 16.627 58.765 17.456 1.00 0.00 ATOM 539 N VAL A 68 17.932 58.556 17.454 1.00 0.00 ATOM 540 CA VAL A 68 18.917 59.627 17.745 1.00 0.00 ATOM 541 CB VAL A 68 19.617 59.489 19.116 1.00 0.00 ATOM 542 CG1 VAL A 68 18.578 59.634 20.242 1.00 0.00 ATOM 543 CG2 VAL A 68 20.388 58.168 19.258 1.00 0.00 ATOM 544 O VAL A 68 20.375 58.611 16.066 1.00 0.00 ATOM 545 C VAL A 68 19.888 59.669 16.554 1.00 0.00 ATOM 546 N GLN A 69 20.124 60.889 16.075 1.00 0.00 ATOM 547 CA GLN A 69 20.875 61.115 14.859 1.00 0.00 ATOM 548 CB GLN A 69 20.000 61.769 13.829 1.00 0.00 ATOM 549 CG GLN A 69 20.669 62.059 12.521 1.00 0.00 ATOM 550 CD GLN A 69 19.758 62.798 11.552 1.00 0.00 ATOM 551 OE1 GLN A 69 18.523 62.729 11.659 1.00 0.00 ATOM 552 NE2 GLN A 69 20.363 63.514 10.604 1.00 0.00 ATOM 553 O GLN A 69 22.006 62.992 15.786 1.00 0.00 ATOM 554 C GLN A 69 22.099 61.991 15.107 1.00 0.00 ATOM 555 N GLY A 70 23.228 61.610 14.518 1.00 0.00 ATOM 556 CA GLY A 70 24.457 62.402 14.575 1.00 0.00 ATOM 557 O GLY A 70 24.823 61.542 12.355 1.00 0.00 ATOM 558 C GLY A 70 25.301 62.139 13.348 1.00 0.00 ATOM 559 N GLY A 71 26.573 62.515 13.440 1.00 0.00 ATOM 560 CA GLY A 71 27.531 62.315 12.336 1.00 0.00 ATOM 561 O GLY A 71 28.561 63.413 10.493 1.00 0.00 ATOM 562 C GLY A 71 27.772 63.515 11.430 1.00 0.00 ATOM 563 N ASP A 72 27.108 64.652 11.680 1.00 0.00 ATOM 564 CA ASP A 72 27.314 65.857 10.844 1.00 0.00 ATOM 565 CB ASP A 72 26.082 66.750 10.845 1.00 0.00 ATOM 566 CG ASP A 72 26.242 68.016 10.024 1.00 0.00 ATOM 567 OD1 ASP A 72 27.340 68.337 9.548 1.00 0.00 ATOM 568 OD2 ASP A 72 25.229 68.726 9.891 1.00 0.00 ATOM 569 O ASP A 72 28.487 67.461 12.200 1.00 0.00 ATOM 570 C ASP A 72 28.549 66.580 11.349 1.00 0.00 ATOM 571 N PHE A 73 29.690 66.180 10.834 1.00 0.00 ATOM 572 CA PHE A 73 30.938 66.608 11.479 1.00 0.00 ATOM 573 CB PHE A 73 32.059 65.620 11.215 1.00 0.00 ATOM 574 CG PHE A 73 32.347 65.395 9.757 1.00 0.00 ATOM 575 CD1 PHE A 73 33.045 66.339 9.014 1.00 0.00 ATOM 576 CD2 PHE A 73 31.920 64.224 9.119 1.00 0.00 ATOM 577 CE1 PHE A 73 33.306 66.135 7.668 1.00 0.00 ATOM 578 CE2 PHE A 73 32.191 64.026 7.760 1.00 0.00 ATOM 579 CZ PHE A 73 32.899 64.981 7.047 1.00 0.00 ATOM 580 O PHE A 73 32.151 68.651 11.708 1.00 0.00 ATOM 581 C PHE A 73 31.337 68.013 11.061 1.00 0.00 ATOM 582 N SER A 74 30.768 68.491 9.966 1.00 0.00 ATOM 583 CA SER A 74 31.208 69.771 9.396 1.00 0.00 ATOM 584 CB SER A 74 31.354 69.607 7.887 1.00 0.00 ATOM 585 OG SER A 74 30.115 69.349 7.255 1.00 0.00 ATOM 586 O SER A 74 30.717 72.125 9.773 1.00 0.00 ATOM 587 C SER A 74 30.282 70.954 9.772 1.00 0.00 ATOM 588 N GLU A 75 29.007 70.659 10.067 1.00 0.00 ATOM 589 CA GLU A 75 28.043 71.702 10.454 1.00 0.00 ATOM 590 CB GLU A 75 26.935 71.835 9.421 1.00 0.00 ATOM 591 CG GLU A 75 27.389 71.821 8.002 1.00 0.00 ATOM 592 CD GLU A 75 27.746 73.156 7.505 1.00 0.00 ATOM 593 OE1 GLU A 75 28.209 73.987 8.325 1.00 0.00 ATOM 594 OE2 GLU A 75 27.551 73.367 6.279 1.00 0.00 ATOM 595 O GLU A 75 26.859 72.427 12.394 1.00 0.00 ATOM 596 C GLU A 75 27.366 71.473 11.803 1.00 0.00 ATOM 597 N GLY A 76 27.282 70.223 12.256 1.00 0.00 ATOM 598 CA GLY A 76 26.675 69.929 13.556 1.00 0.00 ATOM 599 O GLY A 76 24.630 70.302 14.714 1.00 0.00 ATOM 600 C GLY A 76 25.179 70.130 13.627 1.00 0.00 ATOM 601 N ASN A 77 24.497 70.104 12.491 1.00 0.00 ATOM 602 CA ASN A 77 23.072 70.445 12.492 1.00 0.00 ATOM 603 CB ASN A 77 22.901 71.973 12.370 1.00 0.00 ATOM 604 CG ASN A 77 23.373 72.508 11.037 1.00 0.00 ATOM 605 ND2 ASN A 77 23.457 73.826 10.933 1.00 0.00 ATOM 606 OD1 ASN A 77 23.685 71.751 10.118 1.00 0.00 ATOM 607 O ASN A 77 21.014 70.097 11.315 1.00 0.00 ATOM 608 C ASN A 77 22.197 69.745 11.447 1.00 0.00 ATOM 609 N GLY A 78 22.759 68.770 10.719 1.00 0.00 ATOM 610 CA GLY A 78 22.053 68.083 9.640 1.00 0.00 ATOM 611 O GLY A 78 22.248 67.788 7.297 1.00 0.00 ATOM 612 C GLY A 78 22.406 68.543 8.228 1.00 0.00 ATOM 613 N ARG A 79 22.919 69.766 8.073 1.00 0.00 ATOM 614 CA ARG A 79 23.276 70.317 6.748 1.00 0.00 ATOM 615 CB ARG A 79 23.364 71.854 6.848 1.00 0.00 ATOM 616 CG ARG A 79 22.046 72.517 7.314 1.00 0.00 ATOM 617 CD ARG A 79 22.198 74.039 7.385 1.00 0.00 ATOM 618 NE ARG A 79 21.020 74.706 7.931 1.00 0.00 ATOM 619 O ARG A 79 24.806 69.916 4.894 1.00 0.00 ATOM 620 C ARG A 79 24.582 69.780 6.114 1.00 0.00 ATOM 621 N GLY A 80 25.447 69.194 6.932 1.00 0.00 ATOM 622 CA GLY A 80 26.841 68.995 6.547 1.00 0.00 ATOM 623 O GLY A 80 26.245 66.711 6.379 1.00 0.00 ATOM 624 C GLY A 80 27.149 67.539 6.456 1.00 0.00 ATOM 625 N GLY A 81 28.432 67.219 6.494 1.00 0.00 ATOM 626 CA GLY A 81 28.836 65.827 6.401 1.00 0.00 ATOM 627 O GLY A 81 28.644 65.939 3.995 1.00 0.00 ATOM 628 C GLY A 81 29.126 65.365 4.983 1.00 0.00 ATOM 629 N GLU A 82 29.907 64.304 4.907 1.00 0.00 ATOM 630 CA GLU A 82 30.427 63.794 3.663 1.00 0.00 ATOM 631 CB GLU A 82 31.517 64.746 3.180 1.00 0.00 ATOM 632 CG GLU A 82 32.333 64.272 2.098 1.00 0.00 ATOM 633 CD GLU A 82 33.198 65.360 1.480 1.00 0.00 ATOM 634 OE1 GLU A 82 33.786 66.211 2.211 1.00 0.00 ATOM 635 OE2 GLU A 82 33.287 65.334 0.239 1.00 0.00 ATOM 636 O GLU A 82 31.483 62.117 5.056 1.00 0.00 ATOM 637 C GLU A 82 30.978 62.387 3.949 1.00 0.00 ATOM 638 N SER A 83 30.877 61.503 2.956 1.00 0.00 ATOM 639 CA SER A 83 31.386 60.141 3.064 1.00 0.00 ATOM 640 CB SER A 83 30.739 59.265 2.008 1.00 0.00 ATOM 641 OG SER A 83 31.519 59.209 0.808 1.00 0.00 ATOM 642 O SER A 83 33.416 61.107 2.256 1.00 0.00 ATOM 643 C SER A 83 32.893 60.150 2.824 1.00 0.00 ATOM 644 N ILE A 84 33.551 59.038 3.164 1.00 0.00 ATOM 645 CA ILE A 84 34.990 58.866 2.931 1.00 0.00 ATOM 646 CB ILE A 84 35.569 57.645 3.715 1.00 0.00 ATOM 647 CG1 ILE A 84 34.963 56.307 3.228 1.00 0.00 ATOM 648 CG2 ILE A 84 35.378 57.807 5.233 1.00 0.00 ATOM 649 CD1 ILE A 84 35.852 55.094 3.575 1.00 0.00 ATOM 650 O ILE A 84 36.540 58.862 1.083 1.00 0.00 ATOM 651 C ILE A 84 35.379 58.795 1.427 1.00 0.00 ATOM 652 N TYR A 85 34.393 58.663 0.544 1.00 0.00 ATOM 653 CA TYR A 85 34.637 58.448 -0.873 1.00 0.00 ATOM 654 CB TYR A 85 33.589 57.454 -1.388 1.00 0.00 ATOM 655 CG TYR A 85 33.487 56.188 -0.540 1.00 0.00 ATOM 656 CD1 TYR A 85 34.589 55.301 -0.415 1.00 0.00 ATOM 657 CD2 TYR A 85 32.299 55.872 0.137 1.00 0.00 ATOM 658 CE1 TYR A 85 34.508 54.152 0.361 1.00 0.00 ATOM 659 CE2 TYR A 85 32.196 54.707 0.905 1.00 0.00 ATOM 660 CZ TYR A 85 33.294 53.861 1.026 1.00 0.00 ATOM 661 OH TYR A 85 33.171 52.722 1.773 1.00 0.00 ATOM 662 O TYR A 85 34.849 59.743 -2.902 1.00 0.00 ATOM 663 C TYR A 85 34.619 59.765 -1.687 1.00 0.00 ATOM 664 N GLY A 86 34.402 60.904 -1.017 1.00 0.00 ATOM 665 CA GLY A 86 34.058 62.168 -1.704 1.00 0.00 ATOM 666 O GLY A 86 32.013 61.356 -2.687 1.00 0.00 ATOM 667 C GLY A 86 32.555 62.214 -1.971 1.00 0.00 ATOM 668 N GLY A 87 31.889 63.199 -1.388 1.00 0.00 ATOM 669 CA GLY A 87 30.446 63.354 -1.491 1.00 0.00 ATOM 670 O GLY A 87 30.042 61.657 0.177 1.00 0.00 ATOM 671 C GLY A 87 29.666 62.208 -0.878 1.00 0.00 ATOM 672 N PHE A 88 28.566 61.842 -1.545 1.00 0.00 ATOM 673 CA PHE A 88 27.716 60.756 -1.093 1.00 0.00 ATOM 674 CB PHE A 88 26.248 61.153 -1.167 1.00 0.00 ATOM 675 CG PHE A 88 25.925 62.413 -0.428 1.00 0.00 ATOM 676 CD1 PHE A 88 26.635 62.774 0.740 1.00 0.00 ATOM 677 CD2 PHE A 88 24.943 63.257 -0.893 1.00 0.00 ATOM 678 CE1 PHE A 88 26.348 63.969 1.421 1.00 0.00 ATOM 679 CE2 PHE A 88 24.638 64.441 -0.201 1.00 0.00 ATOM 680 CZ PHE A 88 25.346 64.792 0.942 1.00 0.00 ATOM 681 O PHE A 88 28.476 59.451 -2.954 1.00 0.00 ATOM 682 C PHE A 88 27.912 59.460 -1.870 1.00 0.00 ATOM 683 N PHE A 89 27.404 58.367 -1.305 1.00 0.00 ATOM 684 CA PHE A 89 27.384 57.100 -2.027 1.00 0.00 ATOM 685 CB PHE A 89 28.477 56.129 -1.523 1.00 0.00 ATOM 686 CG PHE A 89 28.381 55.781 -0.063 1.00 0.00 ATOM 687 CD1 PHE A 89 27.886 54.541 0.338 1.00 0.00 ATOM 688 CD2 PHE A 89 28.756 56.705 0.927 1.00 0.00 ATOM 689 CE1 PHE A 89 27.816 54.199 1.687 1.00 0.00 ATOM 690 CE2 PHE A 89 28.666 56.376 2.285 1.00 0.00 ATOM 691 CZ PHE A 89 28.193 55.137 2.668 1.00 0.00 ATOM 692 O PHE A 89 24.997 56.853 -1.423 1.00 0.00 ATOM 693 C PHE A 89 25.995 56.434 -2.089 1.00 0.00 ATOM 694 N GLU A 90 25.952 55.383 -2.911 1.00 0.00 ATOM 695 CA GLU A 90 24.695 54.713 -3.259 1.00 0.00 ATOM 696 CB GLU A 90 24.884 53.849 -4.528 1.00 0.00 ATOM 697 CG GLU A 90 24.783 54.634 -5.833 1.00 0.00 ATOM 698 CD GLU A 90 26.082 55.334 -6.305 1.00 0.00 ATOM 699 OE1 GLU A 90 27.124 55.282 -5.587 1.00 0.00 ATOM 700 OE2 GLU A 90 26.043 55.933 -7.430 1.00 0.00 ATOM 701 O GLU A 90 24.976 53.382 -1.291 1.00 0.00 ATOM 702 C GLU A 90 24.180 53.883 -2.097 1.00 0.00 ATOM 703 N ASP A 91 22.844 53.810 -1.975 1.00 0.00 ATOM 704 CA ASP A 91 22.198 52.855 -1.103 1.00 0.00 ATOM 705 CB ASP A 91 20.688 52.978 -1.211 1.00 0.00 ATOM 706 CG ASP A 91 20.173 54.352 -0.769 1.00 0.00 ATOM 707 OD1 ASP A 91 20.671 54.902 0.240 1.00 0.00 ATOM 708 OD2 ASP A 91 19.235 54.843 -1.407 1.00 0.00 ATOM 709 O ASP A 91 22.445 51.045 -2.678 1.00 0.00 ATOM 710 C ASP A 91 22.638 51.446 -1.524 1.00 0.00 ATOM 711 N GLU A 92 23.275 50.714 -0.600 1.00 0.00 ATOM 712 CA GLU A 92 23.892 49.447 -0.952 1.00 0.00 ATOM 713 CB GLU A 92 25.257 49.394 -0.221 1.00 0.00 ATOM 714 CG GLU A 92 25.990 48.043 -0.175 1.00 0.00 ATOM 715 CD GLU A 92 27.346 48.194 0.490 1.00 0.00 ATOM 716 OE1 GLU A 92 27.482 48.992 1.446 1.00 0.00 ATOM 717 OE2 GLU A 92 28.286 47.528 0.053 1.00 0.00 ATOM 718 O GLU A 92 23.086 47.188 -1.387 1.00 0.00 ATOM 719 C GLU A 92 23.003 48.173 -0.656 1.00 0.00 ATOM 720 N SER A 93 22.156 48.228 0.391 1.00 0.00 ATOM 721 CA SER A 93 21.351 47.091 0.847 1.00 0.00 ATOM 722 CB SER A 93 22.147 46.197 1.804 1.00 0.00 ATOM 723 OG SER A 93 21.314 45.164 2.361 1.00 0.00 ATOM 724 O SER A 93 20.235 48.401 2.505 1.00 0.00 ATOM 725 C SER A 93 20.121 47.552 1.618 1.00 0.00 ATOM 726 N PHE A 94 18.961 46.971 1.291 1.00 0.00 ATOM 727 CA PHE A 94 17.777 47.078 2.152 1.00 0.00 ATOM 728 CB PHE A 94 16.557 47.558 1.361 1.00 0.00 ATOM 729 CG PHE A 94 16.775 48.831 0.602 1.00 0.00 ATOM 730 CD1 PHE A 94 17.383 49.938 1.209 1.00 0.00 ATOM 731 CD2 PHE A 94 16.370 48.936 -0.767 1.00 0.00 ATOM 732 CE1 PHE A 94 17.575 51.109 0.522 1.00 0.00 ATOM 733 CE2 PHE A 94 16.538 50.123 -1.449 1.00 0.00 ATOM 734 CZ PHE A 94 17.152 51.223 -0.807 1.00 0.00 ATOM 735 O PHE A 94 16.336 45.539 3.370 1.00 0.00 ATOM 736 C PHE A 94 17.451 45.730 2.868 1.00 0.00 ATOM 737 N ALA A 95 18.432 44.841 2.941 1.00 0.00 ATOM 738 CA ALA A 95 18.254 43.473 3.471 1.00 0.00 ATOM 739 CB ALA A 95 19.508 42.595 3.176 1.00 0.00 ATOM 740 O ALA A 95 17.150 42.584 5.406 1.00 0.00 ATOM 741 C ALA A 95 17.924 43.431 4.978 1.00 0.00 ATOM 742 N VAL A 96 18.524 44.332 5.764 1.00 0.00 ATOM 743 CA VAL A 96 18.354 44.345 7.208 1.00 0.00 ATOM 744 CB VAL A 96 19.663 44.763 7.942 1.00 0.00 ATOM 745 CG1 VAL A 96 19.407 44.911 9.419 1.00 0.00 ATOM 746 CG2 VAL A 96 20.805 43.746 7.676 1.00 0.00 ATOM 747 O VAL A 96 17.142 46.432 7.042 1.00 0.00 ATOM 748 C VAL A 96 17.178 45.280 7.505 1.00 0.00 ATOM 749 N LYS A 97 16.208 44.773 8.249 1.00 0.00 ATOM 750 CA LYS A 97 14.956 45.511 8.475 1.00 0.00 ATOM 751 CB LYS A 97 13.827 44.550 8.685 1.00 0.00 ATOM 752 CG LYS A 97 13.616 43.611 7.546 1.00 0.00 ATOM 753 CD LYS A 97 12.541 42.634 7.911 1.00 0.00 ATOM 754 CE LYS A 97 11.181 43.322 8.055 1.00 0.00 ATOM 755 NZ LYS A 97 10.076 42.325 8.041 1.00 0.00 ATOM 756 O LYS A 97 15.889 46.122 10.586 1.00 0.00 ATOM 757 C LYS A 97 15.114 46.426 9.694 1.00 0.00 ATOM 758 N HIS A 98 14.405 47.553 9.677 1.00 0.00 ATOM 759 CA HIS A 98 14.289 48.458 10.831 1.00 0.00 ATOM 760 CB HIS A 98 13.880 49.848 10.359 1.00 0.00 ATOM 761 CG HIS A 98 14.930 50.590 9.582 1.00 0.00 ATOM 762 CD2 HIS A 98 15.835 51.523 9.965 1.00 0.00 ATOM 763 ND1 HIS A 98 15.045 50.490 8.209 1.00 0.00 ATOM 764 CE1 HIS A 98 16.030 51.259 7.796 1.00 0.00 ATOM 765 NE2 HIS A 98 16.509 51.920 8.834 1.00 0.00 ATOM 766 O HIS A 98 12.242 48.615 12.150 1.00 0.00 ATOM 767 C HIS A 98 13.254 47.949 11.855 1.00 0.00 ATOM 768 N ASN A 99 13.507 46.778 12.412 1.00 0.00 ATOM 769 CA ASN A 99 12.499 46.080 13.188 1.00 0.00 ATOM 770 CB ASN A 99 12.342 44.618 12.659 1.00 0.00 ATOM 771 CG ASN A 99 13.606 43.773 12.838 1.00 0.00 ATOM 772 ND2 ASN A 99 13.562 42.543 12.345 1.00 0.00 ATOM 773 OD1 ASN A 99 14.599 44.222 13.418 1.00 0.00 ATOM 774 O ASN A 99 11.862 45.568 15.455 1.00 0.00 ATOM 775 C ASN A 99 12.692 46.119 14.720 1.00 0.00 ATOM 776 N ALA A 100 13.745 46.793 15.194 1.00 0.00 ATOM 777 CA ALA A 100 14.055 46.860 16.615 1.00 0.00 ATOM 778 CB ALA A 100 15.048 45.700 17.000 1.00 0.00 ATOM 779 O ALA A 100 15.132 48.928 16.061 1.00 0.00 ATOM 780 C ALA A 100 14.680 48.223 16.947 1.00 0.00 ATOM 781 N ALA A 101 14.742 48.548 18.238 1.00 0.00 ATOM 782 CA ALA A 101 15.670 49.558 18.743 1.00 0.00 ATOM 783 CB ALA A 101 15.424 49.824 20.242 1.00 0.00 ATOM 784 O ALA A 101 17.397 47.883 18.487 1.00 0.00 ATOM 785 C ALA A 101 17.108 49.092 18.556 1.00 0.00 ATOM 786 N PHE A 102 17.995 50.077 18.549 1.00 0.00 ATOM 787 CA PHE A 102 19.427 49.899 18.684 1.00 0.00 ATOM 788 CB PHE A 102 19.769 48.965 19.862 1.00 0.00 ATOM 789 CG PHE A 102 19.231 49.429 21.195 1.00 0.00 ATOM 790 CD1 PHE A 102 19.575 50.707 21.743 1.00 0.00 ATOM 791 CD2 PHE A 102 18.414 48.566 21.956 1.00 0.00 ATOM 792 CE1 PHE A 102 19.065 51.103 22.972 1.00 0.00 ATOM 793 CE2 PHE A 102 17.917 48.980 23.208 1.00 0.00 ATOM 794 CZ PHE A 102 18.213 50.244 23.693 1.00 0.00 ATOM 795 O PHE A 102 21.194 48.942 17.420 1.00 0.00 ATOM 796 C PHE A 102 20.068 49.412 17.399 1.00 0.00 ATOM 797 N LEU A 103 19.328 49.557 16.290 1.00 0.00 ATOM 798 CA LEU A 103 19.860 49.393 14.938 1.00 0.00 ATOM 799 CB LEU A 103 18.776 48.873 13.982 1.00 0.00 ATOM 800 CG LEU A 103 18.261 47.461 14.329 1.00 0.00 ATOM 801 CD1 LEU A 103 17.080 47.173 13.420 1.00 0.00 ATOM 802 CD2 LEU A 103 19.290 46.356 14.210 1.00 0.00 ATOM 803 O LEU A 103 19.977 51.783 14.602 1.00 0.00 ATOM 804 C LEU A 103 20.512 50.688 14.432 1.00 0.00 ATOM 805 N LEU A 104 21.698 50.521 13.836 1.00 0.00 ATOM 806 CA LEU A 104 22.478 51.598 13.200 1.00 0.00 ATOM 807 CB LEU A 104 23.960 51.373 13.460 1.00 0.00 ATOM 808 CG LEU A 104 24.909 52.465 13.042 1.00 0.00 ATOM 809 CD1 LEU A 104 24.681 53.734 13.837 1.00 0.00 ATOM 810 CD2 LEU A 104 26.388 51.924 13.175 1.00 0.00 ATOM 811 O LEU A 104 22.471 50.770 10.934 1.00 0.00 ATOM 812 C LEU A 104 22.225 51.707 11.699 1.00 0.00 ATOM 813 N SER A 105 21.769 52.886 11.273 1.00 0.00 ATOM 814 CA SER A 105 21.319 53.092 9.923 1.00 0.00 ATOM 815 CB SER A 105 19.807 52.935 9.908 1.00 0.00 ATOM 816 OG SER A 105 19.285 52.924 8.588 1.00 0.00 ATOM 817 O SER A 105 21.973 55.427 10.127 1.00 0.00 ATOM 818 C SER A 105 21.720 54.476 9.372 1.00 0.00 ATOM 819 N MET A 106 21.766 54.579 8.053 1.00 0.00 ATOM 820 CA MET A 106 22.248 55.805 7.418 1.00 0.00 ATOM 821 CB MET A 106 22.854 55.512 6.043 1.00 0.00 ATOM 822 CG MET A 106 24.275 54.841 6.076 1.00 0.00 ATOM 823 SD MET A 106 25.480 55.756 7.073 1.00 0.00 ATOM 824 CE MET A 106 25.995 56.999 5.898 1.00 0.00 ATOM 825 O MET A 106 20.032 56.479 6.757 1.00 0.00 ATOM 826 C MET A 106 21.100 56.791 7.325 1.00 0.00 ATOM 827 N ALA A 107 21.324 57.984 7.860 1.00 0.00 ATOM 828 CA ALA A 107 20.474 59.120 7.571 1.00 0.00 ATOM 829 CB ALA A 107 20.679 60.245 8.598 1.00 0.00 ATOM 830 O ALA A 107 21.945 59.312 5.683 1.00 0.00 ATOM 831 C ALA A 107 20.829 59.571 6.163 1.00 0.00 ATOM 832 N ASN A 108 19.876 60.164 5.460 1.00 0.00 ATOM 833 CA ASN A 108 20.176 60.710 4.112 1.00 0.00 ATOM 834 CB ASN A 108 20.153 59.600 3.054 1.00 0.00 ATOM 835 CG ASN A 108 18.845 58.887 2.986 1.00 0.00 ATOM 836 ND2 ASN A 108 18.864 57.571 3.219 1.00 0.00 ATOM 837 OD1 ASN A 108 17.814 59.502 2.689 1.00 0.00 ATOM 838 O ASN A 108 18.405 62.268 4.509 1.00 0.00 ATOM 839 C ASN A 108 19.268 61.863 3.720 1.00 0.00 ATOM 840 N ARG A 109 19.477 62.384 2.515 1.00 0.00 ATOM 841 CA ARG A 109 18.643 63.465 1.952 1.00 0.00 ATOM 842 CB ARG A 109 19.497 64.649 1.478 1.00 0.00 ATOM 843 CG ARG A 109 20.345 65.343 2.482 1.00 0.00 ATOM 844 CD ARG A 109 21.465 66.148 1.758 1.00 0.00 ATOM 845 NE ARG A 109 22.323 66.883 2.699 1.00 0.00 ATOM 846 CZ ARG A 109 23.171 66.313 3.558 1.00 0.00 ATOM 847 NH1 ARG A 109 23.309 65.001 3.620 1.00 0.00 ATOM 848 NH2 ARG A 109 23.895 67.059 4.360 1.00 0.00 ATOM 849 O ARG A 109 17.725 63.709 -0.251 1.00 0.00 ATOM 850 C ARG A 109 17.861 62.953 0.727 1.00 0.00 ATOM 851 N GLY A 110 17.374 61.703 0.798 1.00 0.00 ATOM 852 CA GLY A 110 16.727 60.988 -0.301 1.00 0.00 ATOM 853 O GLY A 110 18.671 59.547 -0.355 1.00 0.00 ATOM 854 C GLY A 110 17.608 59.879 -0.895 1.00 0.00 ATOM 855 N LYS A 111 17.168 59.335 -2.035 1.00 0.00 ATOM 856 CA LYS A 111 17.861 58.229 -2.734 1.00 0.00 ATOM 857 CB LYS A 111 17.144 57.914 -4.058 1.00 0.00 ATOM 858 CG LYS A 111 17.331 56.477 -4.583 1.00 0.00 ATOM 859 CD LYS A 111 16.873 56.339 -6.056 1.00 0.00 ATOM 860 CE LYS A 111 17.294 55.013 -6.722 1.00 0.00 ATOM 861 NZ LYS A 111 18.672 54.534 -6.345 1.00 0.00 ATOM 862 O LYS A 111 19.665 59.607 -3.512 1.00 0.00 ATOM 863 C LYS A 111 19.343 58.535 -3.011 1.00 0.00 ATOM 864 N ASP A 112 20.218 57.602 -2.624 1.00 0.00 ATOM 865 CA ASP A 112 21.664 57.588 -2.961 1.00 0.00 ATOM 866 CB ASP A 112 21.892 57.350 -4.460 1.00 0.00 ATOM 867 CG ASP A 112 21.333 56.006 -4.969 1.00 0.00 ATOM 868 OD1 ASP A 112 21.241 55.023 -4.207 1.00 0.00 ATOM 869 OD2 ASP A 112 21.003 55.940 -6.168 1.00 0.00 ATOM 870 O ASP A 112 23.269 59.408 -3.237 1.00 0.00 ATOM 871 C ASP A 112 22.417 58.869 -2.509 1.00 0.00 ATOM 872 N THR A 113 22.093 59.319 -1.302 1.00 0.00 ATOM 873 CA THR A 113 22.721 60.493 -0.674 1.00 0.00 ATOM 874 CB THR A 113 21.701 61.683 -0.575 1.00 0.00 ATOM 875 CG2 THR A 113 21.132 62.040 -1.935 1.00 0.00 ATOM 876 OG1 THR A 113 20.617 61.328 0.282 1.00 0.00 ATOM 877 O THR A 113 23.326 60.881 1.654 1.00 0.00 ATOM 878 C THR A 113 23.360 60.101 0.713 1.00 0.00 ATOM 879 N ASN A 114 23.935 58.897 0.811 1.00 0.00 ATOM 880 CA ASN A 114 24.694 58.464 2.008 1.00 0.00 ATOM 881 CB ASN A 114 24.962 56.954 2.015 1.00 0.00 ATOM 882 CG ASN A 114 23.671 56.117 1.953 1.00 0.00 ATOM 883 ND2 ASN A 114 23.395 55.543 0.791 1.00 0.00 ATOM 884 OD1 ASN A 114 22.932 56.018 2.923 1.00 0.00 ATOM 885 O ASN A 114 26.890 59.233 1.287 1.00 0.00 ATOM 886 C ASN A 114 26.023 59.241 2.175 1.00 0.00 ATOM 887 N GLY A 115 26.179 59.882 3.326 1.00 0.00 ATOM 888 CA GLY A 115 27.330 60.719 3.634 1.00 0.00 ATOM 889 O GLY A 115 28.757 59.200 4.798 1.00 0.00 ATOM 890 C GLY A 115 28.125 60.249 4.847 1.00 0.00 ATOM 891 N SER A 116 28.112 61.043 5.931 1.00 0.00 ATOM 892 CA SER A 116 28.660 60.626 7.239 1.00 0.00 ATOM 893 CB SER A 116 29.721 61.626 7.738 1.00 0.00 ATOM 894 OG SER A 116 29.277 62.987 7.685 1.00 0.00 ATOM 895 O SER A 116 27.759 59.967 9.357 1.00 0.00 ATOM 896 C SER A 116 27.546 60.495 8.293 1.00 0.00 ATOM 897 N GLN A 117 26.341 60.961 7.990 1.00 0.00 ATOM 898 CA GLN A 117 25.316 60.975 8.990 1.00 0.00 ATOM 899 CB GLN A 117 24.350 62.105 8.736 1.00 0.00 ATOM 900 CG GLN A 117 24.940 63.478 8.950 1.00 0.00 ATOM 901 CD GLN A 117 23.921 64.527 8.688 1.00 0.00 ATOM 902 OE1 GLN A 117 22.912 64.600 9.387 1.00 0.00 ATOM 903 NE2 GLN A 117 24.146 65.327 7.650 1.00 0.00 ATOM 904 O GLN A 117 24.269 58.917 8.233 1.00 0.00 ATOM 905 C GLN A 117 24.591 59.641 9.191 1.00 0.00 ATOM 906 N PHE A 118 24.343 59.335 10.466 1.00 0.00 ATOM 907 CA PHE A 118 23.774 58.066 10.915 1.00 0.00 ATOM 908 CB PHE A 118 24.863 57.175 11.503 1.00 0.00 ATOM 909 CG PHE A 118 25.498 57.754 12.730 1.00 0.00 ATOM 910 CD1 PHE A 118 24.962 57.519 13.973 1.00 0.00 ATOM 911 CD2 PHE A 118 26.590 58.636 12.626 1.00 0.00 ATOM 912 CE1 PHE A 118 25.518 58.072 15.109 1.00 0.00 ATOM 913 CE2 PHE A 118 27.150 59.185 13.759 1.00 0.00 ATOM 914 CZ PHE A 118 26.625 58.906 15.003 1.00 0.00 ATOM 915 O PHE A 118 22.686 59.356 12.643 1.00 0.00 ATOM 916 C PHE A 118 22.723 58.291 11.983 1.00 0.00 ATOM 917 N PHE A 119 21.871 57.279 12.170 1.00 0.00 ATOM 918 CA PHE A 119 20.950 57.283 13.271 1.00 0.00 ATOM 919 CB PHE A 119 19.605 57.866 12.848 1.00 0.00 ATOM 920 CG PHE A 119 18.843 57.015 11.875 1.00 0.00 ATOM 921 CD1 PHE A 119 17.830 56.156 12.330 1.00 0.00 ATOM 922 CD2 PHE A 119 19.127 57.070 10.525 1.00 0.00 ATOM 923 CE1 PHE A 119 17.096 55.334 11.413 1.00 0.00 ATOM 924 CE2 PHE A 119 18.409 56.271 9.604 1.00 0.00 ATOM 925 CZ PHE A 119 17.384 55.403 10.057 1.00 0.00 ATOM 926 O PHE A 119 21.097 54.821 13.333 1.00 0.00 ATOM 927 C PHE A 119 20.845 55.876 13.958 1.00 0.00 ATOM 928 N ILE A 120 20.527 55.898 15.257 1.00 0.00 ATOM 929 CA ILE A 120 20.361 54.708 16.059 1.00 0.00 ATOM 930 CB ILE A 120 21.194 54.737 17.387 1.00 0.00 ATOM 931 CG1 ILE A 120 22.720 54.801 17.123 1.00 0.00 ATOM 932 CG2 ILE A 120 20.932 53.488 18.245 1.00 0.00 ATOM 933 CD1 ILE A 120 23.500 55.405 18.319 1.00 0.00 ATOM 934 O ILE A 120 18.376 55.596 17.038 1.00 0.00 ATOM 935 C ILE A 120 18.884 54.688 16.359 1.00 0.00 ATOM 936 N THR A 121 18.175 53.704 15.820 1.00 0.00 ATOM 937 CA THR A 121 16.731 53.551 16.137 1.00 0.00 ATOM 938 CB THR A 121 16.098 52.336 15.400 1.00 0.00 ATOM 939 CG2 THR A 121 16.291 52.449 13.871 1.00 0.00 ATOM 940 OG1 THR A 121 16.641 51.108 15.893 1.00 0.00 ATOM 941 O THR A 121 17.346 52.793 18.288 1.00 0.00 ATOM 942 C THR A 121 16.510 53.371 17.635 1.00 0.00 ATOM 943 N THR A 122 15.371 53.844 18.173 1.00 0.00 ATOM 944 CA THR A 122 14.985 53.570 19.566 1.00 0.00 ATOM 945 CB THR A 122 14.948 54.858 20.422 1.00 0.00 ATOM 946 CG2 THR A 122 16.341 55.453 20.551 1.00 0.00 ATOM 947 OG1 THR A 122 14.021 55.803 19.856 1.00 0.00 ATOM 948 O THR A 122 13.271 52.574 20.939 1.00 0.00 ATOM 949 C THR A 122 13.661 52.825 19.778 1.00 0.00 ATOM 950 N LYS A 123 12.991 52.513 18.679 1.00 0.00 ATOM 951 CA LYS A 123 11.849 51.579 18.596 1.00 0.00 ATOM 952 CB LYS A 123 10.506 52.323 18.719 1.00 0.00 ATOM 953 CG LYS A 123 10.251 52.922 20.082 1.00 0.00 ATOM 954 CD LYS A 123 10.041 51.828 21.111 1.00 0.00 ATOM 955 CE LYS A 123 9.671 52.384 22.474 1.00 0.00 ATOM 956 NZ LYS A 123 10.481 51.692 23.499 1.00 0.00 ATOM 957 O LYS A 123 12.790 51.231 16.429 1.00 0.00 ATOM 958 C LYS A 123 11.914 50.903 17.229 1.00 0.00 ATOM 959 N PRO A 124 11.011 49.931 16.973 1.00 0.00 ATOM 960 CA PRO A 124 10.861 49.464 15.598 1.00 0.00 ATOM 961 CB PRO A 124 9.852 48.327 15.717 1.00 0.00 ATOM 962 CG PRO A 124 9.900 47.892 17.141 1.00 0.00 ATOM 963 CD PRO A 124 10.133 49.183 17.893 1.00 0.00 ATOM 964 O PRO A 124 9.409 51.271 15.055 1.00 0.00 ATOM 965 C PRO A 124 10.357 50.599 14.708 1.00 0.00 ATOM 966 N THR A 125 11.043 50.814 13.597 1.00 0.00 ATOM 967 CA THR A 125 10.730 51.866 12.630 1.00 0.00 ATOM 968 CB THR A 125 11.813 52.998 12.656 1.00 0.00 ATOM 969 CG2 THR A 125 11.907 53.618 14.031 1.00 0.00 ATOM 970 OG1 THR A 125 13.107 52.481 12.266 1.00 0.00 ATOM 971 O THR A 125 11.479 51.576 10.366 1.00 0.00 ATOM 972 C THR A 125 10.648 51.258 11.226 1.00 0.00 ATOM 973 N PRO A 126 9.636 50.395 10.982 1.00 0.00 ATOM 974 CA PRO A 126 9.629 49.644 9.728 1.00 0.00 ATOM 975 CB PRO A 126 8.544 48.578 9.942 1.00 0.00 ATOM 976 CG PRO A 126 7.647 49.119 11.044 1.00 0.00 ATOM 977 CD PRO A 126 8.439 50.140 11.812 1.00 0.00 ATOM 978 O PRO A 126 9.702 50.176 7.404 1.00 0.00 ATOM 979 C PRO A 126 9.370 50.537 8.527 1.00 0.00 ATOM 980 N HIS A 127 8.798 51.715 8.748 1.00 0.00 ATOM 981 CA HIS A 127 8.551 52.602 7.615 1.00 0.00 ATOM 982 CB HIS A 127 7.622 53.744 8.032 1.00 0.00 ATOM 983 CG HIS A 127 8.261 54.754 8.935 1.00 0.00 ATOM 984 CD2 HIS A 127 8.710 56.008 8.684 1.00 0.00 ATOM 985 ND1 HIS A 127 8.485 54.520 10.278 1.00 0.00 ATOM 986 CE1 HIS A 127 9.051 55.586 10.811 1.00 0.00 ATOM 987 NE2 HIS A 127 9.197 56.503 9.868 1.00 0.00 ATOM 988 O HIS A 127 9.860 53.655 5.892 1.00 0.00 ATOM 989 C HIS A 127 9.873 53.143 6.985 1.00 0.00 ATOM 990 N LEU A 128 11.000 52.994 7.672 1.00 0.00 ATOM 991 CA LEU A 128 12.267 53.427 7.104 1.00 0.00 ATOM 992 CB LEU A 128 13.241 53.835 8.207 1.00 0.00 ATOM 993 CG LEU A 128 12.714 54.913 9.174 1.00 0.00 ATOM 994 CD1 LEU A 128 13.771 55.258 10.215 1.00 0.00 ATOM 995 CD2 LEU A 128 12.264 56.142 8.387 1.00 0.00 ATOM 996 O LEU A 128 13.901 52.664 5.552 1.00 0.00 ATOM 997 C LEU A 128 12.891 52.390 6.176 1.00 0.00 ATOM 998 N ASP A 129 12.329 51.184 6.125 1.00 0.00 ATOM 999 CA ASP A 129 12.856 50.146 5.217 1.00 0.00 ATOM 1000 CB ASP A 129 12.094 48.831 5.430 1.00 0.00 ATOM 1001 CG ASP A 129 12.359 48.175 6.776 1.00 0.00 ATOM 1002 OD1 ASP A 129 13.359 48.488 7.448 1.00 0.00 ATOM 1003 OD2 ASP A 129 11.559 47.292 7.163 1.00 0.00 ATOM 1004 O ASP A 129 11.724 51.209 3.317 1.00 0.00 ATOM 1005 C ASP A 129 12.742 50.631 3.733 1.00 0.00 ATOM 1006 N GLY A 130 13.811 50.426 2.963 1.00 0.00 ATOM 1007 CA GLY A 130 13.931 50.871 1.578 1.00 0.00 ATOM 1008 O GLY A 130 14.603 52.797 0.301 1.00 0.00 ATOM 1009 C GLY A 130 14.324 52.323 1.412 1.00 0.00 ATOM 1010 N HIS A 131 14.343 53.062 2.507 1.00 0.00 ATOM 1011 CA HIS A 131 14.712 54.481 2.433 1.00 0.00 ATOM 1012 CB HIS A 131 13.635 55.334 3.096 1.00 0.00 ATOM 1013 CG HIS A 131 12.298 55.217 2.459 1.00 0.00 ATOM 1014 CD2 HIS A 131 11.234 54.429 2.746 1.00 0.00 ATOM 1015 ND1 HIS A 131 11.921 55.996 1.390 1.00 0.00 ATOM 1016 CE1 HIS A 131 10.687 55.686 1.037 1.00 0.00 ATOM 1017 NE2 HIS A 131 10.248 54.744 1.848 1.00 0.00 ATOM 1018 O HIS A 131 16.750 55.716 2.780 1.00 0.00 ATOM 1019 C HIS A 131 16.048 54.740 3.113 1.00 0.00 ATOM 1020 N HIS A 132 16.375 53.914 4.102 1.00 0.00 ATOM 1021 CA HIS A 132 17.644 54.022 4.815 1.00 0.00 ATOM 1022 CB HIS A 132 17.416 54.640 6.202 1.00 0.00 ATOM 1023 CG HIS A 132 16.733 55.974 6.153 1.00 0.00 ATOM 1024 CD2 HIS A 132 15.422 56.316 6.144 1.00 0.00 ATOM 1025 ND1 HIS A 132 17.430 57.150 6.069 1.00 0.00 ATOM 1026 CE1 HIS A 132 16.589 58.166 6.019 1.00 0.00 ATOM 1027 NE2 HIS A 132 15.366 57.692 6.058 1.00 0.00 ATOM 1028 O HIS A 132 17.618 51.661 5.246 1.00 0.00 ATOM 1029 C HIS A 132 18.285 52.649 4.950 1.00 0.00 ATOM 1030 N VAL A 133 19.605 52.621 4.788 1.00 0.00 ATOM 1031 CA VAL A 133 20.378 51.415 4.809 1.00 0.00 ATOM 1032 CB VAL A 133 21.617 51.535 3.874 1.00 0.00 ATOM 1033 CG1 VAL A 133 22.551 50.326 4.035 1.00 0.00 ATOM 1034 CG2 VAL A 133 21.173 51.738 2.379 1.00 0.00 ATOM 1035 O VAL A 133 21.698 51.751 6.789 1.00 0.00 ATOM 1036 C VAL A 133 20.810 51.093 6.235 1.00 0.00 ATOM 1037 N VAL A 134 20.199 50.045 6.797 1.00 0.00 ATOM 1038 CA VAL A 134 20.662 49.439 8.078 1.00 0.00 ATOM 1039 CB VAL A 134 19.575 48.514 8.664 1.00 0.00 ATOM 1040 CG1 VAL A 134 19.915 48.052 10.097 1.00 0.00 ATOM 1041 CG2 VAL A 134 18.298 49.235 8.685 1.00 0.00 ATOM 1042 O VAL A 134 22.103 47.839 6.951 1.00 0.00 ATOM 1043 C VAL A 134 22.009 48.712 7.837 1.00 0.00 ATOM 1044 N PHE A 135 23.058 49.127 8.573 1.00 0.00 ATOM 1045 CA PHE A 135 24.394 48.549 8.417 1.00 0.00 ATOM 1046 CB PHE A 135 25.342 49.529 7.683 1.00 0.00 ATOM 1047 CG PHE A 135 25.680 50.801 8.479 1.00 0.00 ATOM 1048 CD1 PHE A 135 26.895 50.916 9.161 1.00 0.00 ATOM 1049 CD2 PHE A 135 24.797 51.891 8.498 1.00 0.00 ATOM 1050 CE1 PHE A 135 27.200 52.081 9.888 1.00 0.00 ATOM 1051 CE2 PHE A 135 25.088 53.054 9.222 1.00 0.00 ATOM 1052 CZ PHE A 135 26.287 53.156 9.916 1.00 0.00 ATOM 1053 O PHE A 135 26.175 47.484 9.655 1.00 0.00 ATOM 1054 C PHE A 135 25.069 48.045 9.710 1.00 0.00 ATOM 1055 N GLY A 136 24.411 48.201 10.849 1.00 0.00 ATOM 1056 CA GLY A 136 24.965 47.776 12.123 1.00 0.00 ATOM 1057 O GLY A 136 22.762 47.943 13.096 1.00 0.00 ATOM 1058 C GLY A 136 23.965 47.764 13.278 1.00 0.00 ATOM 1059 N GLN A 137 24.504 47.569 14.472 1.00 0.00 ATOM 1060 CA GLN A 137 23.712 47.334 15.678 1.00 0.00 ATOM 1061 CB GLN A 137 23.328 45.880 15.694 1.00 0.00 ATOM 1062 CG GLN A 137 22.540 45.371 16.865 1.00 0.00 ATOM 1063 CD GLN A 137 21.994 44.009 16.533 1.00 0.00 ATOM 1064 OE1 GLN A 137 22.740 43.149 16.103 1.00 0.00 ATOM 1065 NE2 GLN A 137 20.691 43.827 16.664 1.00 0.00 ATOM 1066 O GLN A 137 25.749 47.341 16.973 1.00 0.00 ATOM 1067 C GLN A 137 24.545 47.664 16.909 1.00 0.00 ATOM 1068 N VAL A 138 23.894 48.293 17.890 1.00 0.00 ATOM 1069 CA VAL A 138 24.483 48.443 19.225 1.00 0.00 ATOM 1070 CB VAL A 138 23.630 49.328 20.122 1.00 0.00 ATOM 1071 CG1 VAL A 138 24.229 49.356 21.520 1.00 0.00 ATOM 1072 CG2 VAL A 138 23.552 50.768 19.558 1.00 0.00 ATOM 1073 O VAL A 138 23.718 46.302 20.087 1.00 0.00 ATOM 1074 C VAL A 138 24.683 47.081 19.941 1.00 0.00 ATOM 1075 N ILE A 139 25.917 46.799 20.394 1.00 0.00 ATOM 1076 CA ILE A 139 26.158 45.588 21.215 1.00 0.00 ATOM 1077 CB ILE A 139 27.270 44.641 20.674 1.00 0.00 ATOM 1078 CG1 ILE A 139 28.656 45.295 20.745 1.00 0.00 ATOM 1079 CG2 ILE A 139 26.915 44.113 19.276 1.00 0.00 ATOM 1080 CD1 ILE A 139 29.726 44.548 20.067 1.00 0.00 ATOM 1081 O ILE A 139 26.000 45.015 23.572 1.00 0.00 ATOM 1082 C ILE A 139 26.333 45.866 22.736 1.00 0.00 ATOM 1083 N SER A 140 26.788 47.059 23.078 1.00 0.00 ATOM 1084 CA SER A 140 26.745 47.536 24.448 1.00 0.00 ATOM 1085 CB SER A 140 28.015 47.126 25.216 1.00 0.00 ATOM 1086 OG SER A 140 29.157 47.614 24.560 1.00 0.00 ATOM 1087 O SER A 140 26.898 49.744 23.467 1.00 0.00 ATOM 1088 C SER A 140 26.583 49.060 24.464 1.00 0.00 ATOM 1089 N GLY A 141 26.106 49.557 25.603 1.00 0.00 ATOM 1090 CA GLY A 141 25.787 50.975 25.796 1.00 0.00 ATOM 1091 O GLY A 141 24.047 52.460 25.129 1.00 0.00 ATOM 1092 C GLY A 141 24.353 51.323 25.438 1.00 0.00 ATOM 1093 N GLN A 142 23.458 50.347 25.493 1.00 0.00 ATOM 1094 CA GLN A 142 22.047 50.616 25.214 1.00 0.00 ATOM 1095 CB GLN A 142 21.238 49.306 25.328 1.00 0.00 ATOM 1096 CG GLN A 142 21.563 48.257 24.241 1.00 0.00 ATOM 1097 CD GLN A 142 22.761 47.331 24.561 1.00 0.00 ATOM 1098 OE1 GLN A 142 23.517 47.534 25.523 1.00 0.00 ATOM 1099 NE2 GLN A 142 22.920 46.298 23.752 1.00 0.00 ATOM 1100 O GLN A 142 20.700 52.620 25.731 1.00 0.00 ATOM 1101 C GLN A 142 21.470 51.731 26.157 1.00 0.00 ATOM 1102 N GLU A 143 21.833 51.654 27.429 1.00 0.00 ATOM 1103 CA GLU A 143 21.440 52.651 28.437 1.00 0.00 ATOM 1104 CB GLU A 143 21.797 52.129 29.860 1.00 0.00 ATOM 1105 CG GLU A 143 23.291 52.158 30.277 1.00 0.00 ATOM 1106 CD GLU A 143 24.224 51.173 29.528 1.00 0.00 ATOM 1107 OE1 GLU A 143 23.764 50.087 29.017 1.00 0.00 ATOM 1108 OE2 GLU A 143 25.436 51.515 29.474 1.00 0.00 ATOM 1109 O GLU A 143 21.244 55.096 28.375 1.00 0.00 ATOM 1110 C GLU A 143 21.955 54.082 28.137 1.00 0.00 ATOM 1111 N VAL A 144 23.118 54.178 27.507 1.00 0.00 ATOM 1112 CA VAL A 144 23.605 55.482 27.037 1.00 0.00 ATOM 1113 CB VAL A 144 25.073 55.409 26.593 1.00 0.00 ATOM 1114 CG1 VAL A 144 25.555 56.802 26.127 1.00 0.00 ATOM 1115 CG2 VAL A 144 25.960 54.848 27.725 1.00 0.00 ATOM 1116 O VAL A 144 22.406 57.235 25.875 1.00 0.00 ATOM 1117 C VAL A 144 22.722 56.046 25.891 1.00 0.00 ATOM 1118 N VAL A 145 22.356 55.188 24.934 1.00 0.00 ATOM 1119 CA VAL A 145 21.421 55.525 23.856 1.00 0.00 ATOM 1120 CB VAL A 145 21.211 54.303 22.905 1.00 0.00 ATOM 1121 CG1 VAL A 145 20.207 54.607 21.778 1.00 0.00 ATOM 1122 CG2 VAL A 145 22.532 53.909 22.267 1.00 0.00 ATOM 1123 O VAL A 145 19.630 57.121 24.067 1.00 0.00 ATOM 1124 C VAL A 145 20.088 56.054 24.447 1.00 0.00 ATOM 1125 N ARG A 146 19.518 55.344 25.431 1.00 0.00 ATOM 1126 CA ARG A 146 18.294 55.819 26.133 1.00 0.00 ATOM 1127 CB ARG A 146 17.823 54.836 27.206 1.00 0.00 ATOM 1128 CG ARG A 146 17.407 53.472 26.691 1.00 0.00 ATOM 1129 CD ARG A 146 16.184 53.572 25.773 1.00 0.00 ATOM 1130 NE ARG A 146 15.804 52.256 25.251 1.00 0.00 ATOM 1131 CZ ARG A 146 14.949 52.063 24.250 1.00 0.00 ATOM 1132 NH1 ARG A 146 14.676 50.831 23.851 1.00 0.00 ATOM 1133 NH2 ARG A 146 14.344 53.088 23.667 1.00 0.00 ATOM 1134 O ARG A 146 17.641 58.069 26.713 1.00 0.00 ATOM 1135 C ARG A 146 18.508 57.195 26.774 1.00 0.00 ATOM 1136 N GLU A 147 19.673 57.390 27.364 1.00 0.00 ATOM 1137 CA GLU A 147 19.990 58.652 28.002 1.00 0.00 ATOM 1138 CB GLU A 147 21.324 58.554 28.752 1.00 0.00 ATOM 1139 CG GLU A 147 21.765 59.919 29.293 1.00 0.00 ATOM 1140 CD GLU A 147 22.700 59.868 30.484 1.00 0.00 ATOM 1141 OE1 GLU A 147 23.280 58.800 30.762 1.00 0.00 ATOM 1142 OE2 GLU A 147 22.865 60.930 31.120 1.00 0.00 ATOM 1143 O GLU A 147 19.496 60.902 27.253 1.00 0.00 ATOM 1144 C GLU A 147 19.971 59.809 26.970 1.00 0.00 ATOM 1145 N ILE A 148 20.490 59.532 25.780 1.00 0.00 ATOM 1146 CA ILE A 148 20.508 60.492 24.662 1.00 0.00 ATOM 1147 CB ILE A 148 21.356 59.962 23.473 1.00 0.00 ATOM 1148 CG1 ILE A 148 22.837 59.799 23.876 1.00 0.00 ATOM 1149 CG2 ILE A 148 21.146 60.871 22.213 1.00 0.00 ATOM 1150 CD1 ILE A 148 23.708 59.168 22.787 1.00 0.00 ATOM 1151 O ILE A 148 18.661 61.869 24.009 1.00 0.00 ATOM 1152 C ILE A 148 19.084 60.735 24.167 1.00 0.00 ATOM 1153 N GLU A 149 18.350 59.651 23.937 1.00 0.00 ATOM 1154 CA GLU A 149 16.950 59.710 23.527 1.00 0.00 ATOM 1155 CB GLU A 149 16.350 58.291 23.473 1.00 0.00 ATOM 1156 CG GLU A 149 14.988 58.224 22.800 1.00 0.00 ATOM 1157 CD GLU A 149 14.291 56.894 23.014 1.00 0.00 ATOM 1158 OE1 GLU A 149 14.814 56.078 23.827 1.00 0.00 ATOM 1159 OE2 GLU A 149 13.228 56.692 22.400 1.00 0.00 ATOM 1160 O GLU A 149 15.089 61.176 23.955 1.00 0.00 ATOM 1161 C GLU A 149 16.071 60.588 24.424 1.00 0.00 ATOM 1162 N ASN A 150 16.418 60.634 25.702 1.00 0.00 ATOM 1163 CA ASN A 150 15.657 61.359 26.710 1.00 0.00 ATOM 1164 CB ASN A 150 15.771 60.605 28.053 1.00 0.00 ATOM 1165 CG ASN A 150 14.801 59.427 28.159 1.00 0.00 ATOM 1166 ND2 ASN A 150 15.154 58.441 28.997 1.00 0.00 ATOM 1167 OD1 ASN A 150 13.726 59.417 27.527 1.00 0.00 ATOM 1168 O ASN A 150 15.619 63.534 27.804 1.00 0.00 ATOM 1169 C ASN A 150 16.093 62.839 26.889 1.00 0.00 ATOM 1170 N GLN A 151 16.977 63.323 26.027 1.00 0.00 ATOM 1171 CA GLN A 151 17.427 64.719 26.162 1.00 0.00 ATOM 1172 CB GLN A 151 18.632 65.027 25.255 1.00 0.00 ATOM 1173 CG GLN A 151 19.957 64.513 25.759 1.00 0.00 ATOM 1174 CD GLN A 151 20.127 64.708 27.259 1.00 0.00 ATOM 1175 OE1 GLN A 151 20.199 65.839 27.732 1.00 0.00 ATOM 1176 NE2 GLN A 151 20.127 63.600 28.016 1.00 0.00 ATOM 1177 O GLN A 151 15.483 65.346 24.894 1.00 0.00 ATOM 1178 C GLN A 151 16.241 65.622 25.826 1.00 0.00 ATOM 1179 N LYS A 152 16.070 66.705 26.593 1.00 0.00 ATOM 1180 CA LYS A 152 15.170 67.788 26.150 1.00 0.00 ATOM 1181 CB LYS A 152 14.915 68.819 27.261 1.00 0.00 ATOM 1182 CG LYS A 152 13.797 69.824 26.909 1.00 0.00 ATOM 1183 CD LYS A 152 13.690 70.934 27.948 1.00 0.00 ATOM 1184 CE LYS A 152 13.065 70.437 29.242 1.00 0.00 ATOM 1185 NZ LYS A 152 11.708 69.840 29.036 1.00 0.00 ATOM 1186 O LYS A 152 16.983 68.787 24.854 1.00 0.00 ATOM 1187 C LYS A 152 15.772 68.479 24.909 1.00 0.00 ATOM 1188 N THR A 153 14.928 68.704 23.914 1.00 0.00 ATOM 1189 CA THR A 153 15.351 69.285 22.669 1.00 0.00 ATOM 1190 CB THR A 153 15.111 68.290 21.477 1.00 0.00 ATOM 1191 CG2 THR A 153 15.891 66.930 21.663 1.00 0.00 ATOM 1192 OG1 THR A 153 13.712 68.036 21.376 1.00 0.00 ATOM 1193 O THR A 153 13.666 71.037 23.021 1.00 0.00 ATOM 1194 C THR A 153 14.685 70.648 22.394 1.00 0.00 ATOM 1195 N ASP A 154 15.267 71.356 21.427 1.00 0.00 ATOM 1196 CA ASP A 154 14.812 72.654 20.957 1.00 0.00 ATOM 1197 CB ASP A 154 16.021 73.548 20.602 1.00 0.00 ATOM 1198 CG ASP A 154 16.750 73.144 19.286 1.00 0.00 ATOM 1199 OD1 ASP A 154 16.325 72.225 18.610 1.00 0.00 ATOM 1200 OD2 ASP A 154 17.811 73.745 18.961 1.00 0.00 ATOM 1201 O ASP A 154 13.348 71.374 19.575 1.00 0.00 ATOM 1202 C ASP A 154 13.837 72.479 19.793 1.00 0.00 ATOM 1203 N ALA A 155 13.532 73.556 19.072 1.00 0.00 ATOM 1204 CA ALA A 155 12.447 73.503 18.065 1.00 0.00 ATOM 1205 CB ALA A 155 11.982 74.907 17.645 1.00 0.00 ATOM 1206 O ALA A 155 11.990 72.157 16.159 1.00 0.00 ATOM 1207 C ALA A 155 12.851 72.663 16.851 1.00 0.00 ATOM 1208 N ALA A 156 14.148 72.498 16.618 1.00 0.00 ATOM 1209 CA ALA A 156 14.616 71.594 15.567 1.00 0.00 ATOM 1210 CB ALA A 156 15.811 72.208 14.848 1.00 0.00 ATOM 1211 O ALA A 156 15.673 69.467 15.378 1.00 0.00 ATOM 1212 C ALA A 156 14.971 70.183 16.076 1.00 0.00 ATOM 1213 N SER A 157 14.582 69.825 17.306 1.00 0.00 ATOM 1214 CA SER A 157 14.890 68.490 17.913 1.00 0.00 ATOM 1215 CB SER A 157 14.316 67.350 17.052 1.00 0.00 ATOM 1216 OG SER A 157 12.892 67.333 17.105 1.00 0.00 ATOM 1217 O SER A 157 16.857 67.134 18.324 1.00 0.00 ATOM 1218 C SER A 157 16.384 68.276 18.208 1.00 0.00 ATOM 1219 N LYS A 158 17.093 69.394 18.370 1.00 0.00 ATOM 1220 CA LYS A 158 18.490 69.431 18.758 1.00 0.00 ATOM 1221 CB LYS A 158 19.223 70.630 18.145 1.00 0.00 ATOM 1222 CG LYS A 158 20.736 70.661 18.452 1.00 0.00 ATOM 1223 CD LYS A 158 21.451 71.798 17.676 1.00 0.00 ATOM 1224 CE LYS A 158 22.929 71.580 17.601 1.00 0.00 ATOM 1225 NZ LYS A 158 23.467 72.002 16.277 1.00 0.00 ATOM 1226 O LYS A 158 17.930 70.471 20.841 1.00 0.00 ATOM 1227 C LYS A 158 18.534 69.550 20.264 1.00 0.00 ATOM 1228 N PRO A 159 19.271 68.642 20.913 1.00 0.00 ATOM 1229 CA PRO A 159 19.349 68.693 22.376 1.00 0.00 ATOM 1230 CB PRO A 159 20.348 67.568 22.714 1.00 0.00 ATOM 1231 CG PRO A 159 20.205 66.587 21.565 1.00 0.00 ATOM 1232 CD PRO A 159 20.033 67.509 20.367 1.00 0.00 ATOM 1233 O PRO A 159 20.810 70.639 22.393 1.00 0.00 ATOM 1234 C PRO A 159 19.842 70.042 22.917 1.00 0.00 ATOM 1235 N PHE A 160 19.189 70.506 23.978 1.00 0.00 ATOM 1236 CA PHE A 160 19.691 71.683 24.709 1.00 0.00 ATOM 1237 CB PHE A 160 18.732 72.137 25.813 1.00 0.00 ATOM 1238 CG PHE A 160 17.521 72.858 25.315 1.00 0.00 ATOM 1239 CD1 PHE A 160 17.633 73.900 24.410 1.00 0.00 ATOM 1240 CD2 PHE A 160 16.258 72.493 25.751 1.00 0.00 ATOM 1241 CE1 PHE A 160 16.508 74.545 23.932 1.00 0.00 ATOM 1242 CE2 PHE A 160 15.124 73.167 25.291 1.00 0.00 ATOM 1243 CZ PHE A 160 15.252 74.190 24.394 1.00 0.00 ATOM 1244 O PHE A 160 21.885 72.255 25.365 1.00 0.00 ATOM 1245 C PHE A 160 21.043 71.381 25.307 1.00 0.00 ATOM 1246 N ALA A 161 21.243 70.146 25.778 1.00 0.00 ATOM 1247 CA ALA A 161 22.546 69.745 26.324 1.00 0.00 ATOM 1248 CB ALA A 161 22.382 68.677 27.421 1.00 0.00 ATOM 1249 O ALA A 161 22.885 68.453 24.354 1.00 0.00 ATOM 1250 C ALA A 161 23.383 69.210 25.183 1.00 0.00 ATOM 1251 N GLU A 162 24.654 69.604 25.126 1.00 0.00 ATOM 1252 CA GLU A 162 25.547 69.089 24.092 1.00 0.00 ATOM 1253 CB GLU A 162 26.879 69.881 24.131 1.00 0.00 ATOM 1254 CG GLU A 162 28.077 69.205 23.469 1.00 0.00 ATOM 1255 CD GLU A 162 29.388 69.921 23.759 1.00 0.00 ATOM 1256 OE1 GLU A 162 30.273 69.318 24.437 1.00 0.00 ATOM 1257 OE2 GLU A 162 29.517 71.104 23.322 1.00 0.00 ATOM 1258 O GLU A 162 26.076 67.121 25.385 1.00 0.00 ATOM 1259 C GLU A 162 25.720 67.552 24.299 1.00 0.00 ATOM 1260 N VAL A 163 25.359 66.751 23.285 1.00 0.00 ATOM 1261 CA VAL A 163 25.574 65.292 23.260 1.00 0.00 ATOM 1262 CB VAL A 163 24.277 64.491 22.914 1.00 0.00 ATOM 1263 CG1 VAL A 163 24.573 62.978 22.703 1.00 0.00 ATOM 1264 CG2 VAL A 163 23.206 64.702 24.007 1.00 0.00 ATOM 1265 O VAL A 163 26.460 65.026 21.036 1.00 0.00 ATOM 1266 C VAL A 163 26.689 65.037 22.229 1.00 0.00 ATOM 1267 N ARG A 164 27.893 64.807 22.723 1.00 0.00 ATOM 1268 CA ARG A 164 29.103 64.850 21.932 1.00 0.00 ATOM 1269 CB ARG A 164 30.007 65.986 22.419 1.00 0.00 ATOM 1270 CG ARG A 164 31.057 66.424 21.383 1.00 0.00 ATOM 1271 CD ARG A 164 31.566 67.836 21.645 1.00 0.00 ATOM 1272 NE ARG A 164 32.367 67.871 22.862 1.00 0.00 ATOM 1273 O ARG A 164 29.988 62.921 23.077 1.00 0.00 ATOM 1274 C ARG A 164 29.872 63.546 22.008 1.00 0.00 ATOM 1275 N ILE A 165 30.376 63.114 20.858 1.00 0.00 ATOM 1276 CA ILE A 165 31.321 62.005 20.785 1.00 0.00 ATOM 1277 CB ILE A 165 31.319 61.337 19.362 1.00 0.00 ATOM 1278 CG1 ILE A 165 29.933 60.783 19.046 1.00 0.00 ATOM 1279 CG2 ILE A 165 32.371 60.196 19.242 1.00 0.00 ATOM 1280 CD1 ILE A 165 29.639 60.677 17.590 1.00 0.00 ATOM 1281 O ILE A 165 33.364 63.285 20.436 1.00 0.00 ATOM 1282 C ILE A 165 32.720 62.566 21.199 1.00 0.00 ATOM 1283 N LEU A 166 33.153 62.245 22.417 1.00 0.00 ATOM 1284 CA LEU A 166 34.428 62.759 22.963 1.00 0.00 ATOM 1285 CB LEU A 166 34.430 62.782 24.508 1.00 0.00 ATOM 1286 CG LEU A 166 33.564 63.842 25.217 1.00 0.00 ATOM 1287 CD1 LEU A 166 34.003 63.970 26.641 1.00 0.00 ATOM 1288 CD2 LEU A 166 33.535 65.258 24.521 1.00 0.00 ATOM 1289 O LEU A 166 36.700 62.517 22.221 1.00 0.00 ATOM 1290 C LEU A 166 35.620 61.961 22.459 1.00 0.00 ATOM 1291 N SER A 167 35.408 60.661 22.298 1.00 0.00 ATOM 1292 CA SER A 167 36.349 59.765 21.679 1.00 0.00 ATOM 1293 CB SER A 167 37.177 58.999 22.716 1.00 0.00 ATOM 1294 OG SER A 167 37.685 59.851 23.714 1.00 0.00 ATOM 1295 O SER A 167 34.384 58.472 21.122 1.00 0.00 ATOM 1296 C SER A 167 35.574 58.747 20.855 1.00 0.00 ATOM 1297 N CYS A 168 36.269 58.177 19.884 1.00 0.00 ATOM 1298 CA CYS A 168 35.726 57.107 19.027 1.00 0.00 ATOM 1299 CB CYS A 168 34.865 57.710 17.891 1.00 0.00 ATOM 1300 SG CYS A 168 35.675 59.017 16.992 1.00 0.00 ATOM 1301 O CYS A 168 38.014 56.728 18.443 1.00 0.00 ATOM 1302 C CYS A 168 36.858 56.308 18.421 1.00 0.00 ATOM 1303 N GLY A 169 36.528 55.128 17.905 1.00 0.00 ATOM 1304 CA GLY A 169 37.451 54.351 17.078 1.00 0.00 ATOM 1305 O GLY A 169 35.736 52.688 16.956 1.00 0.00 ATOM 1306 C GLY A 169 36.946 52.960 16.835 1.00 0.00 ATOM 1307 N GLU A 170 37.886 52.083 16.517 1.00 0.00 ATOM 1308 CA GLU A 170 37.600 50.701 16.215 1.00 0.00 ATOM 1309 CB GLU A 170 38.167 50.312 14.837 1.00 0.00 ATOM 1310 CG GLU A 170 37.980 48.803 14.533 1.00 0.00 ATOM 1311 CD GLU A 170 38.334 48.415 13.134 1.00 0.00 ATOM 1312 OE1 GLU A 170 39.082 49.165 12.489 1.00 0.00 ATOM 1313 OE2 GLU A 170 37.852 47.340 12.716 1.00 0.00 ATOM 1314 O GLU A 170 39.405 50.064 17.715 1.00 0.00 ATOM 1315 C GLU A 170 38.227 49.840 17.291 1.00 0.00 ATOM 1316 N LEU A 171 37.454 48.860 17.728 1.00 0.00 ATOM 1317 CA LEU A 171 37.928 47.847 18.654 1.00 0.00 ATOM 1318 CB LEU A 171 36.758 47.259 19.482 1.00 0.00 ATOM 1319 CG LEU A 171 36.048 48.183 20.519 1.00 0.00 ATOM 1320 CD1 LEU A 171 34.951 47.422 21.371 1.00 0.00 ATOM 1321 CD2 LEU A 171 37.035 48.906 21.435 1.00 0.00 ATOM 1322 O LEU A 171 38.025 45.999 17.138 1.00 0.00 ATOM 1323 C LEU A 171 38.654 46.769 17.847 1.00 0.00 ATOM 1324 N ILE A 172 39.987 46.746 17.923 1.00 0.00 ATOM 1325 CA ILE A 172 40.774 45.720 17.201 1.00 0.00 ATOM 1326 CB ILE A 172 42.197 46.202 16.796 1.00 0.00 ATOM 1327 CG1 ILE A 172 42.106 47.310 15.735 1.00 0.00 ATOM 1328 CG2 ILE A 172 43.013 45.034 16.230 1.00 0.00 ATOM 1329 CD1 ILE A 172 43.362 48.156 15.570 1.00 0.00 ATOM 1330 O ILE A 172 41.371 44.434 19.163 1.00 0.00 ATOM 1331 C ILE A 172 40.829 44.437 18.053 1.00 0.00 ATOM 1332 N PRO A 173 40.273 43.332 17.530 1.00 0.00 ATOM 1333 CA PRO A 173 40.152 42.176 18.426 1.00 0.00 ATOM 1334 CB PRO A 173 39.192 41.230 17.686 1.00 0.00 ATOM 1335 CG PRO A 173 38.948 41.834 16.315 1.00 0.00 ATOM 1336 CD PRO A 173 39.800 43.053 16.159 1.00 0.00 ATOM 1337 O PRO A 173 41.790 41.016 19.775 1.00 0.00 ATOM 1338 C PRO A 173 41.515 41.518 18.683 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_861946063.pdb -s /var/tmp/to_scwrl_861946063.seq -o /var/tmp/from_scwrl_861946063.pdb > /var/tmp/scwrl_861946063.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_861946063.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 115 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -96.965 # GDT_score(maxd=8.000,maxw=2.900)= -98.793 # GDT_score(maxd=8.000,maxw=3.200)= -97.886 # GDT_score(maxd=8.000,maxw=3.500)= -96.581 # GDT_score(maxd=10.000,maxw=3.800)= -96.967 # GDT_score(maxd=10.000,maxw=4.000)= -96.009 # GDT_score(maxd=10.000,maxw=4.200)= -94.876 # GDT_score(maxd=12.000,maxw=4.300)= -96.071 # GDT_score(maxd=12.000,maxw=4.500)= -94.956 # GDT_score(maxd=12.000,maxw=4.700)= -93.654 # GDT_score(maxd=14.000,maxw=5.200)= -91.884 # GDT_score(maxd=14.000,maxw=5.500)= -89.287 # command:# request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1792456204.pdb -s /var/tmp/to_scwrl_1792456204.seq -o /var/tmp/from_scwrl_1792456204.pdb > /var/tmp/scwrl_1792456204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1792456204.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 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.919 # GDT_score = -87.861 # GDT_score(maxd=8.000,maxw=2.900)= -88.357 # GDT_score(maxd=8.000,maxw=3.200)= -87.826 # GDT_score(maxd=8.000,maxw=3.500)= -87.086 # GDT_score(maxd=10.000,maxw=3.800)= -87.561 # GDT_score(maxd=10.000,maxw=4.000)= -86.848 # GDT_score(maxd=10.000,maxw=4.200)= -85.976 # GDT_score(maxd=12.000,maxw=4.300)= -87.020 # GDT_score(maxd=12.000,maxw=4.500)= -86.140 # GDT_score(maxd=12.000,maxw=4.700)= -84.928 # GDT_score(maxd=14.000,maxw=5.200)= -83.255 # GDT_score(maxd=14.000,maxw=5.500)= -80.775 # command:# request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_761938731.pdb -s /var/tmp/to_scwrl_761938731.seq -o /var/tmp/from_scwrl_761938731.pdb > /var/tmp/scwrl_761938731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761938731.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:# ReadConformPDB reading from PDB file model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.919 # GDT_score = -91.040 # GDT_score(maxd=8.000,maxw=2.900)= -91.512 # GDT_score(maxd=8.000,maxw=3.200)= -91.262 # GDT_score(maxd=8.000,maxw=3.500)= -90.895 # GDT_score(maxd=10.000,maxw=3.800)= -91.015 # GDT_score(maxd=10.000,maxw=4.000)= -90.664 # GDT_score(maxd=10.000,maxw=4.200)= -90.178 # GDT_score(maxd=12.000,maxw=4.300)= -90.667 # GDT_score(maxd=12.000,maxw=4.500)= -90.174 # GDT_score(maxd=12.000,maxw=4.700)= -89.478 # GDT_score(maxd=14.000,maxw=5.200)= -88.360 # GDT_score(maxd=14.000,maxw=5.500)= -86.584 # command:# request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1231254757.pdb -s /var/tmp/to_scwrl_1231254757.seq -o /var/tmp/from_scwrl_1231254757.pdb > /var/tmp/scwrl_1231254757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1231254757.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 T0290 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.936 # GDT_score = -89.306 # GDT_score(maxd=8.000,maxw=2.900)= -89.991 # GDT_score(maxd=8.000,maxw=3.200)= -89.306 # GDT_score(maxd=8.000,maxw=3.500)= -88.390 # GDT_score(maxd=10.000,maxw=3.800)= -88.908 # GDT_score(maxd=10.000,maxw=4.000)= -88.137 # GDT_score(maxd=10.000,maxw=4.200)= -87.201 # GDT_score(maxd=12.000,maxw=4.300)= -88.324 # GDT_score(maxd=12.000,maxw=4.500)= -87.388 # GDT_score(maxd=12.000,maxw=4.700)= -86.193 # GDT_score(maxd=14.000,maxw=5.200)= -84.633 # GDT_score(maxd=14.000,maxw=5.500)= -82.071 # command:# request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_404692359.pdb -s /var/tmp/to_scwrl_404692359.seq -o /var/tmp/from_scwrl_404692359.pdb > /var/tmp/scwrl_404692359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_404692359.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 T0290.try1-opt2.pdb looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -97.543 # GDT_score(maxd=8.000,maxw=2.900)= -98.952 # GDT_score(maxd=8.000,maxw=3.200)= -98.037 # GDT_score(maxd=8.000,maxw=3.500)= -96.837 # GDT_score(maxd=10.000,maxw=3.800)= -97.197 # GDT_score(maxd=10.000,maxw=4.000)= -96.274 # GDT_score(maxd=10.000,maxw=4.200)= -95.122 # GDT_score(maxd=12.000,maxw=4.300)= -96.320 # GDT_score(maxd=12.000,maxw=4.500)= -95.183 # GDT_score(maxd=12.000,maxw=4.700)= -93.797 # GDT_score(maxd=14.000,maxw=5.200)= -91.876 # GDT_score(maxd=14.000,maxw=5.500)= -89.203 # command:# Prefix for output files set to # command:EXPDTA T0290.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0290.try1-opt2.pdb ATOM 1 N ARG A 1 30.865 42.473 10.976 1.00 0.00 ATOM 2 CA ARG A 1 31.956 41.607 11.505 1.00 0.00 ATOM 3 CB ARG A 1 32.798 41.012 10.454 1.00 0.00 ATOM 4 CG ARG A 1 33.754 40.016 10.930 1.00 0.00 ATOM 5 CD ARG A 1 34.952 39.872 9.989 1.00 0.00 ATOM 6 NE ARG A 1 35.479 41.205 9.624 1.00 0.00 ATOM 7 CZ ARG A 1 36.731 41.625 9.839 1.00 0.00 ATOM 8 NH1 ARG A 1 37.615 40.844 10.433 1.00 0.00 ATOM 9 NH2 ARG A 1 37.084 42.846 9.458 1.00 0.00 ATOM 10 O ARG A 1 33.336 41.799 13.443 1.00 0.00 ATOM 11 C ARG A 1 32.845 42.377 12.493 1.00 0.00 ATOM 12 N PRO A 2 33.095 43.654 12.232 1.00 0.00 ATOM 13 CA PRO A 2 33.933 44.476 13.093 1.00 0.00 ATOM 14 CB PRO A 2 34.560 45.487 12.131 1.00 0.00 ATOM 15 CG PRO A 2 33.504 45.736 11.109 1.00 0.00 ATOM 16 CD PRO A 2 32.822 44.416 10.882 1.00 0.00 ATOM 17 O PRO A 2 31.908 45.280 14.110 1.00 0.00 ATOM 18 C PRO A 2 33.135 45.180 14.188 1.00 0.00 ATOM 19 N ARG A 3 33.834 45.617 15.234 1.00 0.00 ATOM 20 CA ARG A 3 33.209 46.336 16.342 1.00 0.00 ATOM 21 CB ARG A 3 33.409 45.578 17.656 1.00 0.00 ATOM 22 CG ARG A 3 32.683 44.244 17.720 1.00 0.00 ATOM 23 CD ARG A 3 32.911 43.554 19.054 1.00 0.00 ATOM 24 NE ARG A 3 32.218 42.271 19.132 1.00 0.00 ATOM 25 CZ ARG A 3 32.299 41.441 20.166 1.00 0.00 ATOM 26 NH1 ARG A 3 31.634 40.294 20.149 1.00 0.00 ATOM 27 NH2 ARG A 3 33.045 41.758 21.216 1.00 0.00 ATOM 28 O ARG A 3 35.039 47.890 16.380 1.00 0.00 ATOM 29 C ARG A 3 33.824 47.719 16.484 1.00 0.00 ATOM 30 N CYS A 4 32.971 48.699 16.748 1.00 0.00 ATOM 31 CA CYS A 4 33.405 50.080 16.859 1.00 0.00 ATOM 32 CB CYS A 4 32.943 50.886 15.643 1.00 0.00 ATOM 33 SG CYS A 4 33.641 50.329 14.071 1.00 0.00 ATOM 34 O CYS A 4 31.839 50.244 18.689 1.00 0.00 ATOM 35 C CYS A 4 32.835 50.720 18.144 1.00 0.00 ATOM 36 N PHE A 5 33.480 51.767 18.647 1.00 0.00 ATOM 37 CA PHE A 5 33.003 52.403 19.870 1.00 0.00 ATOM 38 CB PHE A 5 33.789 51.838 21.085 1.00 0.00 ATOM 39 CG PHE A 5 35.184 52.384 21.203 1.00 0.00 ATOM 40 CD1 PHE A 5 35.449 53.474 22.029 1.00 0.00 ATOM 41 CD2 PHE A 5 36.241 51.800 20.511 1.00 0.00 ATOM 42 CE1 PHE A 5 36.743 53.967 22.166 1.00 0.00 ATOM 43 CE2 PHE A 5 37.534 52.293 20.648 1.00 0.00 ATOM 44 CZ PHE A 5 37.784 53.375 21.477 1.00 0.00 ATOM 45 O PHE A 5 33.705 54.562 19.132 1.00 0.00 ATOM 46 C PHE A 5 32.934 53.905 19.832 1.00 0.00 ATOM 47 N PHE A 6 31.945 54.435 20.605 1.00 0.00 ATOM 48 CA PHE A 6 31.771 55.874 20.781 1.00 0.00 ATOM 49 CB PHE A 6 30.356 56.164 20.407 1.00 0.00 ATOM 50 CG PHE A 6 30.311 56.370 18.908 1.00 0.00 ATOM 51 CD1 PHE A 6 30.641 57.603 18.344 1.00 0.00 ATOM 52 CD2 PHE A 6 29.924 55.335 18.061 1.00 0.00 ATOM 53 CE1 PHE A 6 30.597 57.797 16.935 1.00 0.00 ATOM 54 CE2 PHE A 6 29.877 55.508 16.674 1.00 0.00 ATOM 55 CZ PHE A 6 30.215 56.751 16.106 1.00 0.00 ATOM 56 O PHE A 6 30.765 55.681 22.934 1.00 0.00 ATOM 57 C PHE A 6 31.650 56.202 22.265 1.00 0.00 ATOM 58 N ASP A 7 32.567 57.017 22.782 1.00 0.00 ATOM 59 CA ASP A 7 32.517 57.454 24.178 1.00 0.00 ATOM 60 CB ASP A 7 33.927 57.567 24.761 1.00 0.00 ATOM 61 CG ASP A 7 33.923 57.957 26.225 1.00 0.00 ATOM 62 OD1 ASP A 7 32.827 58.205 26.770 1.00 0.00 ATOM 63 OD2 ASP A 7 35.015 58.016 26.827 1.00 0.00 ATOM 64 O ASP A 7 32.374 59.793 23.587 1.00 0.00 ATOM 65 C ASP A 7 31.880 58.823 24.196 1.00 0.00 ATOM 66 N ILE A 8 30.688 58.904 24.823 1.00 0.00 ATOM 67 CA ILE A 8 29.890 60.146 24.685 1.00 0.00 ATOM 68 CB ILE A 8 28.431 59.862 24.284 1.00 0.00 ATOM 69 CG1 ILE A 8 28.375 59.230 22.891 1.00 0.00 ATOM 70 CG2 ILE A 8 27.623 61.151 24.261 1.00 0.00 ATOM 71 CD1 ILE A 8 27.007 58.700 22.516 1.00 0.00 ATOM 72 O ILE A 8 29.751 60.359 27.066 1.00 0.00 ATOM 73 C ILE A 8 29.817 60.935 25.983 1.00 0.00 ATOM 74 N ALA A 9 29.861 62.260 25.862 1.00 0.00 ATOM 75 CA ALA A 9 29.738 63.144 27.016 1.00 0.00 ATOM 76 CB ALA A 9 30.986 63.999 27.174 1.00 0.00 ATOM 77 O ALA A 9 28.155 64.391 25.678 1.00 0.00 ATOM 78 C ALA A 9 28.519 64.063 26.812 1.00 0.00 ATOM 79 N ILE A 10 27.835 64.391 27.905 1.00 0.00 ATOM 80 CA ILE A 10 26.684 65.287 27.861 1.00 0.00 ATOM 81 CB ILE A 10 25.415 64.603 28.402 1.00 0.00 ATOM 82 CG1 ILE A 10 25.085 63.360 27.573 1.00 0.00 ATOM 83 CG2 ILE A 10 24.228 65.553 28.333 1.00 0.00 ATOM 84 CD1 ILE A 10 23.956 62.529 28.141 1.00 0.00 ATOM 85 O ILE A 10 27.346 66.309 29.898 1.00 0.00 ATOM 86 C ILE A 10 27.094 66.475 28.711 1.00 0.00 ATOM 87 N ASN A 11 27.320 67.676 28.066 1.00 0.00 ATOM 88 CA ASN A 11 27.792 68.814 28.810 1.00 0.00 ATOM 89 CB ASN A 11 26.693 69.632 29.384 1.00 0.00 ATOM 90 CG ASN A 11 25.594 68.831 30.045 1.00 0.00 ATOM 91 ND2 ASN A 11 24.393 68.900 29.482 1.00 0.00 ATOM 92 OD1 ASN A 11 25.819 68.157 31.050 1.00 0.00 ATOM 93 O ASN A 11 29.203 68.855 30.762 1.00 0.00 ATOM 94 C ASN A 11 29.074 68.506 29.586 1.00 0.00 ATOM 95 N ASN A 12 30.063 67.794 28.860 1.00 0.00 ATOM 96 CA ASN A 12 31.346 67.448 29.449 1.00 0.00 ATOM 97 CB ASN A 12 31.873 68.606 30.302 1.00 0.00 ATOM 98 CG ASN A 12 32.210 69.832 29.477 1.00 0.00 ATOM 99 ND2 ASN A 12 32.085 71.005 30.084 1.00 0.00 ATOM 100 OD1 ASN A 12 32.579 69.721 28.307 1.00 0.00 ATOM 101 O ASN A 12 32.449 65.713 30.650 1.00 0.00 ATOM 102 C ASN A 12 31.377 66.245 30.370 1.00 0.00 ATOM 103 N GLN A 13 30.215 65.815 30.850 1.00 0.00 ATOM 104 CA GLN A 13 30.151 64.665 31.749 1.00 0.00 ATOM 105 CB GLN A 13 28.982 64.807 32.725 1.00 0.00 ATOM 106 CG GLN A 13 28.869 63.669 33.728 1.00 0.00 ATOM 107 CD GLN A 13 27.710 63.853 34.689 1.00 0.00 ATOM 108 OE1 GLN A 13 27.014 64.868 34.652 1.00 0.00 ATOM 109 NE2 GLN A 13 27.498 62.867 35.552 1.00 0.00 ATOM 110 O GLN A 13 29.011 63.251 30.184 1.00 0.00 ATOM 111 C GLN A 13 29.960 63.372 30.962 1.00 0.00 ATOM 112 N PRO A 14 30.864 62.417 31.170 1.00 0.00 ATOM 113 CA PRO A 14 30.824 61.127 30.481 1.00 0.00 ATOM 114 CB PRO A 14 32.042 60.379 31.027 1.00 0.00 ATOM 115 CG PRO A 14 32.977 61.454 31.468 1.00 0.00 ATOM 116 CD PRO A 14 32.114 62.554 32.024 1.00 0.00 ATOM 117 O PRO A 14 29.213 60.041 31.896 1.00 0.00 ATOM 118 C PRO A 14 29.533 60.355 30.751 1.00 0.00 ATOM 119 N ALA A 15 28.798 60.068 29.679 1.00 0.00 ATOM 120 CA ALA A 15 27.547 59.321 29.753 1.00 0.00 ATOM 121 CB ALA A 15 26.606 59.738 28.634 1.00 0.00 ATOM 122 O ALA A 15 27.170 56.992 30.210 1.00 0.00 ATOM 123 C ALA A 15 27.858 57.830 29.630 1.00 0.00 ATOM 124 N GLY A 16 28.914 57.506 28.888 1.00 0.00 ATOM 125 CA GLY A 16 29.299 56.120 28.722 1.00 0.00 ATOM 126 O GLY A 16 29.789 56.624 26.459 1.00 0.00 ATOM 127 C GLY A 16 29.690 55.754 27.303 1.00 0.00 ATOM 128 N ARG A 17 29.872 54.447 27.056 1.00 0.00 ATOM 129 CA ARG A 17 30.241 53.953 25.743 1.00 0.00 ATOM 130 CB ARG A 17 31.619 53.248 25.673 1.00 0.00 ATOM 131 CG ARG A 17 31.758 51.931 26.337 1.00 0.00 ATOM 132 CD ARG A 17 33.007 51.238 25.795 1.00 0.00 ATOM 133 NE ARG A 17 34.151 52.140 25.617 1.00 0.00 ATOM 134 CZ ARG A 17 35.423 51.753 25.671 1.00 0.00 ATOM 135 NH1 ARG A 17 35.704 50.481 25.904 1.00 0.00 ATOM 136 NH2 ARG A 17 36.407 52.630 25.495 1.00 0.00 ATOM 137 O ARG A 17 28.382 52.448 25.714 1.00 0.00 ATOM 138 C ARG A 17 29.073 53.241 25.061 1.00 0.00 ATOM 139 N VAL A 18 29.096 53.543 23.816 1.00 0.00 ATOM 140 CA VAL A 18 28.199 52.732 22.915 1.00 0.00 ATOM 141 CB VAL A 18 27.384 53.743 22.088 1.00 0.00 ATOM 142 CG1 VAL A 18 26.441 53.018 21.139 1.00 0.00 ATOM 143 CG2 VAL A 18 26.554 54.633 23.000 1.00 0.00 ATOM 144 O VAL A 18 30.148 52.367 21.524 1.00 0.00 ATOM 145 C VAL A 18 29.167 51.825 22.097 1.00 0.00 ATOM 146 N VAL A 19 28.793 50.596 21.970 1.00 0.00 ATOM 147 CA VAL A 19 29.565 49.631 21.164 1.00 0.00 ATOM 148 CB VAL A 19 30.135 48.439 21.954 1.00 0.00 ATOM 149 CG1 VAL A 19 30.854 47.477 21.021 1.00 0.00 ATOM 150 CG2 VAL A 19 31.124 48.918 23.005 1.00 0.00 ATOM 151 O VAL A 19 27.510 48.619 20.412 1.00 0.00 ATOM 152 C VAL A 19 28.612 49.097 20.098 1.00 0.00 ATOM 153 N PHE A 20 29.036 49.198 18.840 1.00 0.00 ATOM 154 CA PHE A 20 28.238 48.741 17.709 1.00 0.00 ATOM 155 CB PHE A 20 28.099 49.838 16.652 1.00 0.00 ATOM 156 CG PHE A 20 27.357 51.086 17.116 1.00 0.00 ATOM 157 CD1 PHE A 20 26.593 51.108 18.274 1.00 0.00 ATOM 158 CD2 PHE A 20 27.413 52.244 16.344 1.00 0.00 ATOM 159 CE1 PHE A 20 25.922 52.259 18.663 1.00 0.00 ATOM 160 CE2 PHE A 20 26.744 53.400 16.733 1.00 0.00 ATOM 161 CZ PHE A 20 25.998 53.408 17.886 1.00 0.00 ATOM 162 O PHE A 20 30.187 47.734 16.741 1.00 0.00 ATOM 163 C PHE A 20 28.969 47.683 16.894 1.00 0.00 ATOM 164 N GLU A 21 28.208 46.718 16.389 1.00 0.00 ATOM 165 CA GLU A 21 28.750 45.652 15.557 1.00 0.00 ATOM 166 CB GLU A 21 28.162 44.298 15.958 1.00 0.00 ATOM 167 CG GLU A 21 28.663 43.131 15.123 1.00 0.00 ATOM 168 CD GLU A 21 28.050 41.809 15.539 1.00 0.00 ATOM 169 OE1 GLU A 21 27.230 41.806 16.482 1.00 0.00 ATOM 170 OE2 GLU A 21 28.388 40.777 14.924 1.00 0.00 ATOM 171 O GLU A 21 27.188 46.330 13.866 1.00 0.00 ATOM 172 C GLU A 21 28.356 46.043 14.131 1.00 0.00 ATOM 173 N LEU A 22 29.344 46.112 13.240 1.00 0.00 ATOM 174 CA LEU A 22 29.134 46.482 11.838 1.00 0.00 ATOM 175 CB LEU A 22 30.305 47.312 11.309 1.00 0.00 ATOM 176 CG LEU A 22 30.551 48.655 12.000 1.00 0.00 ATOM 177 CD1 LEU A 22 31.795 49.328 11.439 1.00 0.00 ATOM 178 CD2 LEU A 22 29.369 49.591 11.793 1.00 0.00 ATOM 179 O LEU A 22 29.854 44.347 10.971 1.00 0.00 ATOM 180 C LEU A 22 29.006 45.239 10.942 1.00 0.00 ATOM 181 N PHE A 23 27.949 45.195 10.135 1.00 0.00 ATOM 182 CA PHE A 23 27.711 44.070 9.230 1.00 0.00 ATOM 183 CB PHE A 23 26.217 43.921 8.940 1.00 0.00 ATOM 184 CG PHE A 23 25.399 43.550 10.144 1.00 0.00 ATOM 185 CD1 PHE A 23 24.638 44.500 10.802 1.00 0.00 ATOM 186 CD2 PHE A 23 25.392 42.250 10.620 1.00 0.00 ATOM 187 CE1 PHE A 23 23.885 44.158 11.909 1.00 0.00 ATOM 188 CE2 PHE A 23 24.641 41.907 11.728 1.00 0.00 ATOM 189 CZ PHE A 23 23.889 42.855 12.371 1.00 0.00 ATOM 190 O PHE A 23 27.889 44.073 6.832 1.00 0.00 ATOM 191 C PHE A 23 28.483 44.179 7.937 1.00 0.00 ATOM 192 N SER A 24 29.888 44.307 8.008 1.00 0.00 ATOM 193 CA SER A 24 30.734 44.336 6.827 1.00 0.00 ATOM 194 CB SER A 24 32.191 44.107 7.234 1.00 0.00 ATOM 195 OG SER A 24 32.396 42.776 7.672 1.00 0.00 ATOM 196 O SER A 24 30.453 43.642 4.560 1.00 0.00 ATOM 197 C SER A 24 30.365 43.333 5.743 1.00 0.00 ATOM 198 N ASP A 25 29.917 42.148 6.141 1.00 0.00 ATOM 199 CA ASP A 25 29.551 41.135 5.163 1.00 0.00 ATOM 200 CB ASP A 25 29.365 39.803 5.893 1.00 0.00 ATOM 201 CG ASP A 25 30.674 39.223 6.390 1.00 0.00 ATOM 202 OD1 ASP A 25 31.742 39.705 5.953 1.00 0.00 ATOM 203 OD2 ASP A 25 30.634 38.287 7.215 1.00 0.00 ATOM 204 O ASP A 25 28.055 40.868 3.304 1.00 0.00 ATOM 205 C ASP A 25 28.270 41.431 4.375 1.00 0.00 ATOM 206 N VAL A 26 27.431 42.316 4.904 1.00 0.00 ATOM 207 CA VAL A 26 26.172 42.664 4.265 1.00 0.00 ATOM 208 CB VAL A 26 25.025 42.686 5.292 1.00 0.00 ATOM 209 CG1 VAL A 26 23.733 43.150 4.638 1.00 0.00 ATOM 210 CG2 VAL A 26 24.800 41.297 5.869 1.00 0.00 ATOM 211 O VAL A 26 25.614 44.215 2.508 1.00 0.00 ATOM 212 C VAL A 26 26.191 44.035 3.584 1.00 0.00 ATOM 213 N CYS A 27 26.862 44.996 4.205 1.00 0.00 ATOM 214 CA CYS A 27 26.967 46.343 3.659 1.00 0.00 ATOM 215 CB CYS A 27 26.068 47.302 4.443 1.00 0.00 ATOM 216 SG CYS A 27 24.307 46.901 4.376 1.00 0.00 ATOM 217 O CYS A 27 28.753 47.678 4.517 1.00 0.00 ATOM 218 C CYS A 27 28.400 46.825 3.695 1.00 0.00 ATOM 219 N PRO A 28 29.314 46.296 2.839 1.00 0.00 ATOM 220 CA PRO A 28 30.747 46.560 2.939 1.00 0.00 ATOM 221 CB PRO A 28 31.376 45.636 1.906 1.00 0.00 ATOM 222 CG PRO A 28 30.284 45.325 0.971 1.00 0.00 ATOM 223 CD PRO A 28 29.018 45.301 1.779 1.00 0.00 ATOM 224 O PRO A 28 31.984 48.514 3.556 1.00 0.00 ATOM 225 C PRO A 28 31.149 48.029 2.787 1.00 0.00 ATOM 226 N LYS A 29 30.581 48.729 1.804 1.00 0.00 ATOM 227 CA LYS A 29 30.916 50.136 1.577 1.00 0.00 ATOM 228 CB LYS A 29 30.259 50.642 0.290 1.00 0.00 ATOM 229 CG LYS A 29 30.857 50.063 -0.981 1.00 0.00 ATOM 230 CD LYS A 29 30.161 50.610 -2.217 1.00 0.00 ATOM 231 CE LYS A 29 30.736 50.004 -3.488 1.00 0.00 ATOM 232 NZ LYS A 29 30.049 50.514 -4.705 1.00 0.00 ATOM 233 O LYS A 29 31.195 51.931 3.149 1.00 0.00 ATOM 234 C LYS A 29 30.452 51.051 2.707 1.00 0.00 ATOM 235 N THR A 30 29.222 50.824 3.171 1.00 0.00 ATOM 236 CA THR A 30 28.654 51.620 4.251 1.00 0.00 ATOM 237 CB THR A 30 27.176 51.266 4.497 1.00 0.00 ATOM 238 CG2 THR A 30 26.617 52.082 5.652 1.00 0.00 ATOM 239 OG1 THR A 30 26.412 51.550 3.318 1.00 0.00 ATOM 240 O THR A 30 29.742 52.355 6.262 1.00 0.00 ATOM 241 C THR A 30 29.418 51.397 5.562 1.00 0.00 ATOM 242 N CYS A 31 29.742 50.142 5.866 1.00 0.00 ATOM 243 CA CYS A 31 30.489 49.801 7.080 1.00 0.00 ATOM 244 CB CYS A 31 30.552 48.282 7.260 1.00 0.00 ATOM 245 SG CYS A 31 28.968 47.514 7.674 1.00 0.00 ATOM 246 O CYS A 31 32.472 50.762 8.048 1.00 0.00 ATOM 247 C CYS A 31 31.924 50.328 7.032 1.00 0.00 ATOM 248 N GLU A 32 32.535 50.267 5.853 1.00 0.00 ATOM 249 CA GLU A 32 33.895 50.745 5.679 1.00 0.00 ATOM 250 CB GLU A 32 34.405 50.411 4.276 1.00 0.00 ATOM 251 CG GLU A 32 35.849 50.819 4.028 1.00 0.00 ATOM 252 CD GLU A 32 36.338 50.420 2.650 1.00 0.00 ATOM 253 OE1 GLU A 32 35.550 49.816 1.892 1.00 0.00 ATOM 254 OE2 GLU A 32 37.508 50.711 2.327 1.00 0.00 ATOM 255 O GLU A 32 34.821 52.786 6.496 1.00 0.00 ATOM 256 C GLU A 32 33.918 52.253 5.866 1.00 0.00 ATOM 257 N ASN A 33 32.924 52.941 5.315 1.00 0.00 ATOM 258 CA ASN A 33 32.837 54.393 5.424 1.00 0.00 ATOM 259 CB ASN A 33 31.601 54.919 4.691 1.00 0.00 ATOM 260 CG ASN A 33 31.509 56.430 4.715 1.00 0.00 ATOM 261 ND2 ASN A 33 30.464 56.949 5.354 1.00 0.00 ATOM 262 OD1 ASN A 33 32.365 57.123 4.167 1.00 0.00 ATOM 263 O ASN A 33 33.395 55.663 7.396 1.00 0.00 ATOM 264 C ASN A 33 32.688 54.781 6.902 1.00 0.00 ATOM 265 N PHE A 34 31.801 54.104 7.605 1.00 0.00 ATOM 266 CA PHE A 34 31.581 54.390 9.018 1.00 0.00 ATOM 267 CB PHE A 34 30.454 53.511 9.563 1.00 0.00 ATOM 268 CG PHE A 34 30.198 53.693 11.032 1.00 0.00 ATOM 269 CD1 PHE A 34 29.465 54.773 11.493 1.00 0.00 ATOM 270 CD2 PHE A 34 30.690 52.786 11.954 1.00 0.00 ATOM 271 CE1 PHE A 34 29.230 54.942 12.844 1.00 0.00 ATOM 272 CE2 PHE A 34 30.454 52.954 13.305 1.00 0.00 ATOM 273 CZ PHE A 34 29.728 54.026 13.752 1.00 0.00 ATOM 274 O PHE A 34 33.209 54.944 10.689 1.00 0.00 ATOM 275 C PHE A 34 32.820 54.112 9.867 1.00 0.00 ATOM 276 N ARG A 35 33.435 52.949 9.657 1.00 0.00 ATOM 277 CA ARG A 35 34.635 52.541 10.394 1.00 0.00 ATOM 278 CB ARG A 35 35.068 51.126 10.023 1.00 0.00 ATOM 279 CG ARG A 35 36.239 50.645 10.861 1.00 0.00 ATOM 280 CD ARG A 35 36.544 49.176 10.676 1.00 0.00 ATOM 281 NE ARG A 35 37.581 48.749 11.613 1.00 0.00 ATOM 282 CZ ARG A 35 38.132 47.541 11.623 1.00 0.00 ATOM 283 NH1 ARG A 35 37.749 46.624 10.745 1.00 0.00 ATOM 284 NH2 ARG A 35 39.072 47.253 12.512 1.00 0.00 ATOM 285 O ARG A 35 36.416 53.967 11.143 1.00 0.00 ATOM 286 C ARG A 35 35.760 53.558 10.185 1.00 0.00 ATOM 287 N CYS A 36 35.969 53.976 8.935 1.00 0.00 ATOM 288 CA CYS A 36 37.007 54.957 8.619 1.00 0.00 ATOM 289 CB CYS A 36 37.174 55.059 7.081 1.00 0.00 ATOM 290 SG CYS A 36 37.838 53.558 6.305 1.00 0.00 ATOM 291 O CYS A 36 37.645 57.003 9.713 1.00 0.00 ATOM 292 C CYS A 36 36.722 56.308 9.287 1.00 0.00 ATOM 293 N LEU A 37 35.445 56.675 9.388 1.00 0.00 ATOM 294 CA LEU A 37 35.071 57.938 10.027 1.00 0.00 ATOM 295 CB LEU A 37 33.567 58.206 9.537 1.00 0.00 ATOM 296 CG LEU A 37 33.346 58.631 8.100 1.00 0.00 ATOM 297 CD1 LEU A 37 31.844 58.644 7.838 1.00 0.00 ATOM 298 CD2 LEU A 37 33.908 60.019 7.865 1.00 0.00 ATOM 299 O LEU A 37 35.621 58.953 12.137 1.00 0.00 ATOM 300 C LEU A 37 35.329 57.918 11.539 1.00 0.00 ATOM 301 N CYS A 38 35.251 56.738 12.154 1.00 0.00 ATOM 302 CA CYS A 38 35.518 56.605 13.586 1.00 0.00 ATOM 303 CB CYS A 38 34.789 55.492 14.249 1.00 0.00 ATOM 304 SG CYS A 38 35.143 53.807 13.651 1.00 0.00 ATOM 305 O CYS A 38 37.443 57.207 14.907 1.00 0.00 ATOM 306 C CYS A 38 37.025 56.661 13.885 1.00 0.00 ATOM 307 N THR A 39 37.835 56.102 12.988 1.00 0.00 ATOM 308 CA THR A 39 39.281 56.073 13.185 1.00 0.00 ATOM 309 CB THR A 39 39.919 54.825 12.548 1.00 0.00 ATOM 310 CG2 THR A 39 39.316 53.558 13.136 1.00 0.00 ATOM 311 OG1 THR A 39 39.688 54.836 11.134 1.00 0.00 ATOM 312 O THR A 39 41.143 57.575 13.002 1.00 0.00 ATOM 313 C THR A 39 40.028 57.261 12.580 1.00 0.00 ATOM 314 N GLY A 40 39.417 57.921 11.582 1.00 0.00 ATOM 315 CA GLY A 40 40.077 59.047 10.943 1.00 0.00 ATOM 316 O GLY A 40 41.855 59.458 9.403 1.00 0.00 ATOM 317 C GLY A 40 41.150 58.613 9.957 1.00 0.00 ATOM 318 N GLU A 41 41.263 57.337 9.689 1.00 0.00 ATOM 319 CA GLU A 41 42.356 56.830 8.851 1.00 0.00 ATOM 320 CB GLU A 41 42.560 55.340 9.123 1.00 0.00 ATOM 321 CG GLU A 41 43.009 55.024 10.541 1.00 0.00 ATOM 322 CD GLU A 41 43.190 53.536 10.778 1.00 0.00 ATOM 323 OE1 GLU A 41 42.914 52.750 9.848 1.00 0.00 ATOM 324 OE2 GLU A 41 43.611 53.159 11.891 1.00 0.00 ATOM 325 O GLU A 41 43.002 56.381 6.565 1.00 0.00 ATOM 326 C GLU A 41 42.234 56.968 7.307 1.00 0.00 ATOM 327 N LYS A 42 41.187 57.875 6.837 1.00 0.00 ATOM 328 CA LYS A 42 40.967 58.142 5.426 1.00 0.00 ATOM 329 CB LYS A 42 39.648 57.413 5.067 1.00 0.00 ATOM 330 CG LYS A 42 39.270 57.420 3.620 1.00 0.00 ATOM 331 CD LYS A 42 40.000 56.369 2.873 1.00 0.00 ATOM 332 CE LYS A 42 39.715 56.455 1.385 1.00 0.00 ATOM 333 NZ LYS A 42 38.296 56.109 1.108 1.00 0.00 ATOM 334 O LYS A 42 41.321 59.857 3.782 1.00 0.00 ATOM 335 C LYS A 42 41.356 59.555 4.973 1.00 0.00 ATOM 336 N GLY A 43 41.712 60.420 5.925 1.00 0.00 ATOM 337 CA GLY A 43 42.125 61.773 5.584 1.00 0.00 ATOM 338 O GLY A 43 40.153 62.842 6.436 1.00 0.00 ATOM 339 C GLY A 43 41.065 62.862 5.607 1.00 0.00 ATOM 340 N THR A 44 41.180 63.807 4.672 1.00 0.00 ATOM 341 CA THR A 44 40.247 64.931 4.566 1.00 0.00 ATOM 342 CB THR A 44 40.980 66.262 4.315 1.00 0.00 ATOM 343 CG2 THR A 44 41.997 66.526 5.416 1.00 0.00 ATOM 344 OG1 THR A 44 41.664 66.204 3.056 1.00 0.00 ATOM 345 O THR A 44 39.515 64.102 2.433 1.00 0.00 ATOM 346 C THR A 44 39.242 64.780 3.427 1.00 0.00 ATOM 347 N GLY A 45 38.096 65.445 3.568 1.00 0.00 ATOM 348 CA GLY A 45 37.057 65.383 2.554 1.00 0.00 ATOM 349 O GLY A 45 38.014 67.057 1.132 1.00 0.00 ATOM 350 C GLY A 45 37.447 65.971 1.210 1.00 0.00 ATOM 351 N LYS A 46 37.137 65.236 0.149 1.00 0.00 ATOM 352 CA LYS A 46 37.428 65.628 -1.227 1.00 0.00 ATOM 353 CB LYS A 46 36.843 64.611 -2.209 1.00 0.00 ATOM 354 CG LYS A 46 37.133 64.920 -3.669 1.00 0.00 ATOM 355 CD LYS A 46 36.585 63.834 -4.582 1.00 0.00 ATOM 356 CE LYS A 46 36.832 64.167 -6.045 1.00 0.00 ATOM 357 NZ LYS A 46 36.281 63.125 -6.953 1.00 0.00 ATOM 358 O LYS A 46 37.524 67.918 -1.964 1.00 0.00 ATOM 359 C LYS A 46 36.827 66.999 -1.550 1.00 0.00 ATOM 360 N SER A 47 35.445 66.990 -1.373 1.00 0.00 ATOM 361 CA SER A 47 34.712 68.216 -1.656 1.00 0.00 ATOM 362 CB SER A 47 33.232 67.911 -1.894 1.00 0.00 ATOM 363 OG SER A 47 33.062 67.030 -2.991 1.00 0.00 ATOM 364 O SER A 47 34.822 70.413 -0.838 1.00 0.00 ATOM 365 C SER A 47 34.821 69.232 -0.514 1.00 0.00 ATOM 366 N THR A 48 34.734 68.766 0.751 1.00 0.00 ATOM 367 CA THR A 48 34.684 69.726 1.863 1.00 0.00 ATOM 368 CB THR A 48 33.565 69.257 2.882 1.00 0.00 ATOM 369 CG2 THR A 48 33.561 70.112 4.164 1.00 0.00 ATOM 370 OG1 THR A 48 32.268 69.479 2.322 1.00 0.00 ATOM 371 O THR A 48 36.238 71.096 3.093 1.00 0.00 ATOM 372 C THR A 48 36.079 70.099 2.380 1.00 0.00 ATOM 373 N GLN A 49 37.079 69.282 2.058 1.00 0.00 ATOM 374 CA GLN A 49 38.430 69.544 2.525 1.00 0.00 ATOM 375 CB GLN A 49 38.898 70.329 1.019 1.00 0.00 ATOM 376 CG GLN A 49 38.647 71.832 1.272 1.00 0.00 ATOM 377 CD GLN A 49 37.883 72.508 0.122 1.00 0.00 ATOM 378 OE1 GLN A 49 36.647 72.408 0.020 1.00 0.00 ATOM 379 NE2 GLN A 49 38.612 73.180 -0.748 1.00 0.00 ATOM 380 O GLN A 49 39.208 70.443 4.613 1.00 0.00 ATOM 381 C GLN A 49 38.437 69.668 4.032 1.00 0.00 ATOM 382 N LYS A 50 37.482 68.957 4.921 1.00 0.00 ATOM 383 CA LYS A 50 37.523 68.923 6.392 1.00 0.00 ATOM 384 CB LYS A 50 36.172 69.328 6.983 1.00 0.00 ATOM 385 CG LYS A 50 35.807 70.787 6.759 1.00 0.00 ATOM 386 CD LYS A 50 34.479 71.131 7.412 1.00 0.00 ATOM 387 CE LYS A 50 34.137 72.601 7.225 1.00 0.00 ATOM 388 NZ LYS A 50 32.861 72.964 7.900 1.00 0.00 ATOM 389 O LYS A 50 37.645 66.540 6.065 1.00 0.00 ATOM 390 C LYS A 50 37.874 67.488 6.817 1.00 0.00 ATOM 391 N PRO A 51 38.386 67.271 8.064 1.00 0.00 ATOM 392 CA PRO A 51 38.715 65.912 8.497 1.00 0.00 ATOM 393 CB PRO A 51 39.473 66.154 9.838 1.00 0.00 ATOM 394 CG PRO A 51 39.847 67.629 9.786 1.00 0.00 ATOM 395 CD PRO A 51 38.700 68.258 9.082 1.00 0.00 ATOM 396 O PRO A 51 36.455 65.262 8.930 1.00 0.00 ATOM 397 C PRO A 51 37.545 64.946 8.454 1.00 0.00 ATOM 398 N LEU A 52 37.776 63.785 7.847 1.00 0.00 ATOM 399 CA LEU A 52 36.758 62.747 7.747 1.00 0.00 ATOM 400 CB LEU A 52 37.046 61.828 6.559 1.00 0.00 ATOM 401 CG LEU A 52 37.013 62.477 5.175 1.00 0.00 ATOM 402 CD1 LEU A 52 37.355 61.461 4.096 1.00 0.00 ATOM 403 CD2 LEU A 52 35.633 63.040 4.879 1.00 0.00 ATOM 404 O LEU A 52 37.322 60.820 9.059 1.00 0.00 ATOM 405 C LEU A 52 36.751 61.915 9.027 1.00 0.00 ATOM 406 N HIS A 53 36.146 62.448 10.087 1.00 0.00 ATOM 407 CA HIS A 53 36.084 61.709 11.335 1.00 0.00 ATOM 408 CB HIS A 53 37.541 61.213 11.727 1.00 0.00 ATOM 409 CG HIS A 53 38.434 62.334 12.154 1.00 0.00 ATOM 410 CD2 HIS A 53 39.411 62.984 11.489 1.00 0.00 ATOM 411 ND1 HIS A 53 38.415 62.869 13.428 1.00 0.00 ATOM 412 CE1 HIS A 53 39.320 63.829 13.513 1.00 0.00 ATOM 413 NE2 HIS A 53 39.945 63.915 12.347 1.00 0.00 ATOM 414 O HIS A 53 34.946 63.503 12.481 1.00 0.00 ATOM 415 C HIS A 53 35.165 62.294 12.408 1.00 0.00 ATOM 416 N TYR A 54 34.472 61.372 13.072 1.00 0.00 ATOM 417 CA TYR A 54 33.472 61.656 14.091 1.00 0.00 ATOM 418 CB TYR A 54 32.795 60.365 14.558 1.00 0.00 ATOM 419 CG TYR A 54 31.832 59.780 13.550 1.00 0.00 ATOM 420 CD1 TYR A 54 32.182 58.670 12.792 1.00 0.00 ATOM 421 CD2 TYR A 54 30.575 60.340 13.359 1.00 0.00 ATOM 422 CE1 TYR A 54 31.307 58.128 11.868 1.00 0.00 ATOM 423 CE2 TYR A 54 29.687 59.810 12.440 1.00 0.00 ATOM 424 CZ TYR A 54 30.065 58.697 11.693 1.00 0.00 ATOM 425 OH TYR A 54 29.193 58.160 10.774 1.00 0.00 ATOM 426 O TYR A 54 33.087 62.834 16.119 1.00 0.00 ATOM 427 C TYR A 54 33.921 62.299 15.389 1.00 0.00 ATOM 428 N LYS A 55 35.214 62.233 15.698 1.00 0.00 ATOM 429 CA LYS A 55 35.722 62.809 16.943 1.00 0.00 ATOM 430 CB LYS A 55 37.250 62.744 16.978 1.00 0.00 ATOM 431 CG LYS A 55 37.865 63.258 18.270 1.00 0.00 ATOM 432 CD LYS A 55 39.373 63.071 18.276 1.00 0.00 ATOM 433 CE LYS A 55 39.991 63.617 19.554 1.00 0.00 ATOM 434 NZ LYS A 55 41.445 63.310 19.641 1.00 0.00 ATOM 435 O LYS A 55 35.598 65.085 16.213 1.00 0.00 ATOM 436 C LYS A 55 35.318 64.265 17.088 1.00 0.00 ATOM 437 N SER A 56 34.612 64.636 18.339 1.00 0.00 ATOM 438 CA SER A 56 34.212 66.013 18.566 1.00 0.00 ATOM 439 CB SER A 56 35.285 66.927 17.979 1.00 0.00 ATOM 440 OG SER A 56 35.062 67.132 16.595 1.00 0.00 ATOM 441 O SER A 56 32.331 67.453 18.364 1.00 0.00 ATOM 442 C SER A 56 32.858 66.398 18.005 1.00 0.00 ATOM 443 N CYS A 57 32.299 65.581 17.111 1.00 0.00 ATOM 444 CA CYS A 57 30.985 65.888 16.554 1.00 0.00 ATOM 445 CB CYS A 57 30.721 64.826 15.469 1.00 0.00 ATOM 446 SG CYS A 57 31.833 64.963 14.036 1.00 0.00 ATOM 447 O CYS A 57 30.202 65.090 18.688 1.00 0.00 ATOM 448 C CYS A 57 29.910 65.614 17.609 1.00 0.00 ATOM 449 N LEU A 58 28.664 65.939 17.286 1.00 0.00 ATOM 450 CA LEU A 58 27.572 65.796 18.240 1.00 0.00 ATOM 451 CB LEU A 58 27.169 67.183 18.775 1.00 0.00 ATOM 452 CG LEU A 58 28.226 67.937 19.581 1.00 0.00 ATOM 453 CD1 LEU A 58 29.160 68.693 18.668 1.00 0.00 ATOM 454 CD2 LEU A 58 27.532 68.887 20.526 1.00 0.00 ATOM 455 O LEU A 58 26.051 65.190 16.501 1.00 0.00 ATOM 456 C LEU A 58 26.267 65.192 17.709 1.00 0.00 ATOM 457 N PHE A 59 25.440 64.779 18.695 1.00 0.00 ATOM 458 CA PHE A 59 24.137 64.183 18.344 1.00 0.00 ATOM 459 CB PHE A 59 23.763 63.090 19.352 1.00 0.00 ATOM 460 CG PHE A 59 24.613 61.850 19.263 1.00 0.00 ATOM 461 CD1 PHE A 59 24.469 60.967 18.198 1.00 0.00 ATOM 462 CD2 PHE A 59 25.546 61.554 20.260 1.00 0.00 ATOM 463 CE1 PHE A 59 25.239 59.802 18.121 1.00 0.00 ATOM 464 CE2 PHE A 59 26.321 60.391 20.194 1.00 0.00 ATOM 465 CZ PHE A 59 26.167 59.512 19.119 1.00 0.00 ATOM 466 O PHE A 59 22.990 65.967 19.473 1.00 0.00 ATOM 467 C PHE A 59 23.279 65.439 18.398 1.00 0.00 ATOM 468 N HIS A 60 23.014 65.990 17.217 1.00 0.00 ATOM 469 CA HIS A 60 22.260 67.232 17.064 1.00 0.00 ATOM 470 CB HIS A 60 22.647 67.937 15.763 1.00 0.00 ATOM 471 CG HIS A 60 22.324 67.152 14.530 1.00 0.00 ATOM 472 CD2 HIS A 60 21.367 67.277 13.441 1.00 0.00 ATOM 473 ND1 HIS A 60 22.998 66.001 14.183 1.00 0.00 ATOM 474 CE1 HIS A 60 22.487 65.525 13.032 1.00 0.00 ATOM 475 NE2 HIS A 60 21.507 66.285 12.582 1.00 0.00 ATOM 476 O HIS A 60 20.021 68.083 17.078 1.00 0.00 ATOM 477 C HIS A 60 20.737 67.085 17.033 1.00 0.00 ATOM 478 N ARG A 61 20.249 65.852 16.934 1.00 0.00 ATOM 479 CA ARG A 61 18.814 65.601 16.876 1.00 0.00 ATOM 480 CB ARG A 61 18.375 65.419 15.422 1.00 0.00 ATOM 481 CG ARG A 61 16.881 65.202 15.247 1.00 0.00 ATOM 482 CD ARG A 61 16.508 65.082 13.779 1.00 0.00 ATOM 483 NE ARG A 61 15.078 64.845 13.594 1.00 0.00 ATOM 484 CZ ARG A 61 14.477 64.790 12.410 1.00 0.00 ATOM 485 NH1 ARG A 61 13.171 64.569 12.340 1.00 0.00 ATOM 486 NH2 ARG A 61 15.182 64.955 11.300 1.00 0.00 ATOM 487 O ARG A 61 19.056 63.295 17.471 1.00 0.00 ATOM 488 C ARG A 61 18.432 64.339 17.647 1.00 0.00 ATOM 489 N VAL A 62 17.452 64.456 18.542 1.00 0.00 ATOM 490 CA VAL A 62 16.967 63.305 19.306 1.00 0.00 ATOM 491 CB VAL A 62 17.392 63.390 20.786 1.00 0.00 ATOM 492 CG1 VAL A 62 16.814 62.208 21.560 1.00 0.00 ATOM 493 CG2 VAL A 62 18.911 63.390 20.891 1.00 0.00 ATOM 494 O VAL A 62 14.847 64.353 19.663 1.00 0.00 ATOM 495 C VAL A 62 15.449 63.338 19.325 1.00 0.00 ATOM 496 N VAL A 63 14.853 62.211 18.960 1.00 0.00 ATOM 497 CA VAL A 63 13.408 62.058 18.959 1.00 0.00 ATOM 498 CB VAL A 63 12.901 61.570 17.589 1.00 0.00 ATOM 499 CG1 VAL A 63 11.388 61.424 17.601 1.00 0.00 ATOM 500 CG2 VAL A 63 13.279 62.561 16.497 1.00 0.00 ATOM 501 O VAL A 63 13.362 59.872 19.978 1.00 0.00 ATOM 502 C VAL A 63 13.008 61.059 20.038 1.00 0.00 ATOM 503 N LYS A 64 12.291 61.561 21.037 1.00 0.00 ATOM 504 CA LYS A 64 11.809 60.753 22.149 1.00 0.00 ATOM 505 CB LYS A 64 10.949 61.597 23.091 1.00 0.00 ATOM 506 CG LYS A 64 10.442 60.844 24.310 1.00 0.00 ATOM 507 CD LYS A 64 9.652 61.759 25.234 1.00 0.00 ATOM 508 CE LYS A 64 9.107 60.997 26.430 1.00 0.00 ATOM 509 NZ LYS A 64 8.362 61.887 27.363 1.00 0.00 ATOM 510 O LYS A 64 10.283 59.699 20.617 1.00 0.00 ATOM 511 C LYS A 64 11.044 59.563 21.575 1.00 0.00 ATOM 512 N ASP A 65 11.228 58.376 22.095 1.00 0.00 ATOM 513 CA ASP A 65 10.554 57.155 21.667 1.00 0.00 ATOM 514 CB ASP A 65 9.044 57.391 21.597 1.00 0.00 ATOM 515 CG ASP A 65 8.456 57.809 22.930 1.00 0.00 ATOM 516 OD1 ASP A 65 8.803 57.183 23.954 1.00 0.00 ATOM 517 OD2 ASP A 65 7.651 58.763 22.952 1.00 0.00 ATOM 518 O ASP A 65 11.174 55.225 20.417 1.00 0.00 ATOM 519 C ASP A 65 11.118 56.456 20.440 1.00 0.00 ATOM 520 N PHE A 66 11.666 57.297 19.376 1.00 0.00 ATOM 521 CA PHE A 66 12.185 56.742 18.120 1.00 0.00 ATOM 522 CB PHE A 66 11.625 57.649 17.022 1.00 0.00 ATOM 523 CG PHE A 66 10.126 57.641 16.935 1.00 0.00 ATOM 524 CD1 PHE A 66 9.372 58.568 17.632 1.00 0.00 ATOM 525 CD2 PHE A 66 9.469 56.704 16.153 1.00 0.00 ATOM 526 CE1 PHE A 66 7.992 58.560 17.550 1.00 0.00 ATOM 527 CE2 PHE A 66 8.089 56.697 16.073 1.00 0.00 ATOM 528 CZ PHE A 66 7.352 57.619 16.768 1.00 0.00 ATOM 529 O PHE A 66 14.164 55.536 17.498 1.00 0.00 ATOM 530 C PHE A 66 13.683 56.631 17.794 1.00 0.00 ATOM 531 N MET A 67 14.424 57.738 17.827 1.00 0.00 ATOM 532 CA MET A 67 15.842 57.666 17.476 1.00 0.00 ATOM 533 CB MET A 67 15.995 57.598 15.955 1.00 0.00 ATOM 534 CG MET A 67 15.384 58.779 15.217 1.00 0.00 ATOM 535 SD MET A 67 15.250 58.495 13.442 1.00 0.00 ATOM 536 CE MET A 67 13.788 57.463 13.374 1.00 0.00 ATOM 537 O MET A 67 16.192 59.976 18.029 1.00 0.00 ATOM 538 C MET A 67 16.705 58.886 17.800 1.00 0.00 ATOM 539 N VAL A 68 18.031 58.673 17.694 1.00 0.00 ATOM 540 CA VAL A 68 18.964 59.767 17.928 1.00 0.00 ATOM 541 CB VAL A 68 19.834 59.425 19.151 1.00 0.00 ATOM 542 CG1 VAL A 68 20.879 60.506 19.381 1.00 0.00 ATOM 543 CG2 VAL A 68 18.974 59.313 20.402 1.00 0.00 ATOM 544 O VAL A 68 20.177 58.826 16.075 1.00 0.00 ATOM 545 C VAL A 68 19.827 59.849 16.664 1.00 0.00 ATOM 546 N GLN A 69 20.120 61.069 16.222 1.00 0.00 ATOM 547 CA GLN A 69 20.893 61.276 14.999 1.00 0.00 ATOM 548 CB GLN A 69 20.048 62.007 13.956 1.00 0.00 ATOM 549 CG GLN A 69 18.843 61.218 13.469 1.00 0.00 ATOM 550 CD GLN A 69 18.014 61.986 12.458 1.00 0.00 ATOM 551 OE1 GLN A 69 18.351 63.111 12.090 1.00 0.00 ATOM 552 NE2 GLN A 69 16.923 61.378 12.006 1.00 0.00 ATOM 553 O GLN A 69 22.147 63.112 15.889 1.00 0.00 ATOM 554 C GLN A 69 22.157 62.107 15.187 1.00 0.00 ATOM 555 N GLY A 70 23.234 61.682 14.526 1.00 0.00 ATOM 556 CA GLY A 70 24.499 62.394 14.600 1.00 0.00 ATOM 557 O GLY A 70 24.790 61.536 12.391 1.00 0.00 ATOM 558 C GLY A 70 25.305 62.122 13.341 1.00 0.00 ATOM 559 N GLY A 71 26.557 62.568 13.316 1.00 0.00 ATOM 560 CA GLY A 71 27.408 62.324 12.162 1.00 0.00 ATOM 561 O GLY A 71 28.495 63.466 10.366 1.00 0.00 ATOM 562 C GLY A 71 27.717 63.551 11.319 1.00 0.00 ATOM 563 N ASP A 72 27.105 64.684 11.642 1.00 0.00 ATOM 564 CA ASP A 72 27.353 65.907 10.885 1.00 0.00 ATOM 565 CB ASP A 72 26.155 66.852 10.980 1.00 0.00 ATOM 566 CG ASP A 72 26.322 68.092 10.122 1.00 0.00 ATOM 567 OD1 ASP A 72 27.391 68.241 9.494 1.00 0.00 ATOM 568 OD2 ASP A 72 25.383 68.915 10.078 1.00 0.00 ATOM 569 O ASP A 72 28.512 67.605 12.136 1.00 0.00 ATOM 570 C ASP A 72 28.572 66.640 11.361 1.00 0.00 ATOM 571 N PHE A 73 29.829 66.193 10.957 1.00 0.00 ATOM 572 CA PHE A 73 31.090 66.753 11.492 1.00 0.00 ATOM 573 CB PHE A 73 32.260 65.791 11.278 1.00 0.00 ATOM 574 CG PHE A 73 32.436 65.356 9.851 1.00 0.00 ATOM 575 CD1 PHE A 73 33.062 66.180 8.933 1.00 0.00 ATOM 576 CD2 PHE A 73 31.973 64.123 9.426 1.00 0.00 ATOM 577 CE1 PHE A 73 33.225 65.781 7.621 1.00 0.00 ATOM 578 CE2 PHE A 73 32.134 63.723 8.113 1.00 0.00 ATOM 579 CZ PHE A 73 32.756 64.546 7.211 1.00 0.00 ATOM 580 O PHE A 73 32.531 68.660 11.288 1.00 0.00 ATOM 581 C PHE A 73 31.538 68.071 10.854 1.00 0.00 ATOM 582 N SER A 74 30.807 68.560 9.856 1.00 0.00 ATOM 583 CA SER A 74 31.197 69.814 9.215 1.00 0.00 ATOM 584 CB SER A 74 31.085 69.702 7.693 1.00 0.00 ATOM 585 OG SER A 74 31.910 68.664 7.196 1.00 0.00 ATOM 586 O SER A 74 30.801 72.088 9.841 1.00 0.00 ATOM 587 C SER A 74 30.309 70.979 9.644 1.00 0.00 ATOM 588 N GLU A 75 29.013 70.787 9.745 1.00 0.00 ATOM 589 CA GLU A 75 28.097 71.863 10.110 1.00 0.00 ATOM 590 CB GLU A 75 27.080 72.093 8.913 1.00 0.00 ATOM 591 CG GLU A 75 27.701 72.066 7.523 1.00 0.00 ATOM 592 CD GLU A 75 28.228 73.411 7.049 1.00 0.00 ATOM 593 OE1 GLU A 75 28.976 74.088 7.808 1.00 0.00 ATOM 594 OE2 GLU A 75 27.875 73.770 5.890 1.00 0.00 ATOM 595 O GLU A 75 27.248 72.539 12.236 1.00 0.00 ATOM 596 C GLU A 75 27.543 71.606 11.504 1.00 0.00 ATOM 597 N GLY A 76 27.325 70.343 11.855 1.00 0.00 ATOM 598 CA GLY A 76 26.778 69.974 13.156 1.00 0.00 ATOM 599 O GLY A 76 24.784 69.781 14.457 1.00 0.00 ATOM 600 C GLY A 76 25.276 70.079 13.369 1.00 0.00 ATOM 601 N ASN A 77 24.543 70.494 12.321 1.00 0.00 ATOM 602 CA ASN A 77 23.091 70.648 12.406 1.00 0.00 ATOM 603 CB ASN A 77 22.688 72.148 12.322 1.00 0.00 ATOM 604 CG ASN A 77 23.062 72.711 11.007 1.00 0.00 ATOM 605 ND2 ASN A 77 22.972 73.984 10.847 1.00 0.00 ATOM 606 OD1 ASN A 77 23.420 71.961 10.094 1.00 0.00 ATOM 607 O ASN A 77 21.005 70.006 11.411 1.00 0.00 ATOM 608 C ASN A 77 22.233 69.832 11.457 1.00 0.00 ATOM 609 N GLY A 78 22.810 68.977 10.668 1.00 0.00 ATOM 610 CA GLY A 78 22.078 68.121 9.755 1.00 0.00 ATOM 611 O GLY A 78 21.801 67.743 7.416 1.00 0.00 ATOM 612 C GLY A 78 22.250 68.482 8.297 1.00 0.00 ATOM 613 N ARG A 79 22.909 69.605 8.030 1.00 0.00 ATOM 614 CA ARG A 79 23.112 70.052 6.657 1.00 0.00 ATOM 615 CB ARG A 79 23.071 71.596 6.603 1.00 0.00 ATOM 616 CG ARG A 79 21.730 72.187 6.998 1.00 0.00 ATOM 617 CD ARG A 79 21.725 73.704 6.917 1.00 0.00 ATOM 618 NE ARG A 79 20.374 74.231 7.100 1.00 0.00 ATOM 619 CZ ARG A 79 19.691 74.168 8.240 1.00 0.00 ATOM 620 NH1 ARG A 79 20.229 73.604 9.314 1.00 0.00 ATOM 621 NH2 ARG A 79 18.461 74.657 8.302 1.00 0.00 ATOM 622 O ARG A 79 24.776 69.949 4.939 1.00 0.00 ATOM 623 C ARG A 79 24.505 69.727 6.118 1.00 0.00 ATOM 624 N GLY A 80 25.379 69.202 6.970 1.00 0.00 ATOM 625 CA GLY A 80 26.728 68.894 6.532 1.00 0.00 ATOM 626 O GLY A 80 26.232 66.570 6.835 1.00 0.00 ATOM 627 C GLY A 80 27.096 67.429 6.649 1.00 0.00 ATOM 628 N GLY A 81 28.397 67.162 6.539 1.00 0.00 ATOM 629 CA GLY A 81 28.915 65.808 6.610 1.00 0.00 ATOM 630 O GLY A 81 29.001 66.050 4.229 1.00 0.00 ATOM 631 C GLY A 81 29.412 65.443 5.221 1.00 0.00 ATOM 632 N GLU A 82 30.297 64.451 5.144 1.00 0.00 ATOM 633 CA GLU A 82 30.844 64.000 3.865 1.00 0.00 ATOM 634 CB GLU A 82 32.022 64.881 3.446 1.00 0.00 ATOM 635 CG GLU A 82 32.637 64.499 2.107 1.00 0.00 ATOM 636 CD GLU A 82 33.789 65.403 1.719 1.00 0.00 ATOM 637 OE1 GLU A 82 34.166 66.271 2.534 1.00 0.00 ATOM 638 OE2 GLU A 82 34.316 65.243 0.598 1.00 0.00 ATOM 639 O GLU A 82 31.832 62.139 5.009 1.00 0.00 ATOM 640 C GLU A 82 31.352 62.561 3.959 1.00 0.00 ATOM 641 N SER A 83 31.200 61.797 2.879 1.00 0.00 ATOM 642 CA SER A 83 31.676 60.419 2.858 1.00 0.00 ATOM 643 CB SER A 83 30.934 59.599 1.810 1.00 0.00 ATOM 644 OG SER A 83 31.481 59.874 0.518 1.00 0.00 ATOM 645 O SER A 83 33.759 61.311 1.987 1.00 0.00 ATOM 646 C SER A 83 33.195 60.404 2.583 1.00 0.00 ATOM 647 N ILE A 84 33.723 59.202 3.042 1.00 0.00 ATOM 648 CA ILE A 84 35.131 58.952 2.749 1.00 0.00 ATOM 649 CB ILE A 84 35.688 57.704 3.457 1.00 0.00 ATOM 650 CG1 ILE A 84 34.981 56.445 2.954 1.00 0.00 ATOM 651 CG2 ILE A 84 35.476 57.806 4.961 1.00 0.00 ATOM 652 CD1 ILE A 84 35.594 55.156 3.458 1.00 0.00 ATOM 653 O ILE A 84 36.536 58.817 0.806 1.00 0.00 ATOM 654 C ILE A 84 35.392 58.771 1.254 1.00 0.00 ATOM 655 N TYR A 85 34.321 58.585 0.491 1.00 0.00 ATOM 656 CA TYR A 85 34.418 58.396 -0.952 1.00 0.00 ATOM 657 CB TYR A 85 33.267 57.525 -1.457 1.00 0.00 ATOM 658 CG TYR A 85 33.333 56.090 -0.985 1.00 0.00 ATOM 659 CD1 TYR A 85 32.581 55.663 0.103 1.00 0.00 ATOM 660 CD2 TYR A 85 34.146 55.166 -1.628 1.00 0.00 ATOM 661 CE1 TYR A 85 32.634 54.354 0.541 1.00 0.00 ATOM 662 CE2 TYR A 85 34.212 53.852 -1.204 1.00 0.00 ATOM 663 CZ TYR A 85 33.448 53.451 -0.110 1.00 0.00 ATOM 664 OH TYR A 85 33.502 52.147 0.325 1.00 0.00 ATOM 665 O TYR A 85 34.581 59.729 -2.935 1.00 0.00 ATOM 666 C TYR A 85 34.373 59.714 -1.726 1.00 0.00 ATOM 667 N GLY A 86 34.131 60.814 -1.020 1.00 0.00 ATOM 668 CA GLY A 86 34.025 62.106 -1.672 1.00 0.00 ATOM 669 O GLY A 86 31.886 61.653 -2.648 1.00 0.00 ATOM 670 C GLY A 86 32.553 62.386 -1.913 1.00 0.00 ATOM 671 N GLY A 87 32.038 63.437 -1.283 1.00 0.00 ATOM 672 CA GLY A 87 30.631 63.761 -1.435 1.00 0.00 ATOM 673 O GLY A 87 30.111 62.126 0.231 1.00 0.00 ATOM 674 C GLY A 87 29.772 62.665 -0.826 1.00 0.00 ATOM 675 N PHE A 88 28.667 62.335 -1.494 1.00 0.00 ATOM 676 CA PHE A 88 27.750 61.293 -1.023 1.00 0.00 ATOM 677 CB PHE A 88 26.298 61.753 -1.170 1.00 0.00 ATOM 678 CG PHE A 88 25.933 62.906 -0.280 1.00 0.00 ATOM 679 CD1 PHE A 88 25.942 64.202 -0.763 1.00 0.00 ATOM 680 CD2 PHE A 88 25.582 62.694 1.042 1.00 0.00 ATOM 681 CE1 PHE A 88 25.607 65.263 0.057 1.00 0.00 ATOM 682 CE2 PHE A 88 25.247 63.755 1.861 1.00 0.00 ATOM 683 CZ PHE A 88 25.258 65.035 1.373 1.00 0.00 ATOM 684 O PHE A 88 28.401 60.054 -2.981 1.00 0.00 ATOM 685 C PHE A 88 27.864 60.028 -1.868 1.00 0.00 ATOM 686 N PHE A 89 27.442 58.936 -1.336 1.00 0.00 ATOM 687 CA PHE A 89 27.537 57.645 -2.002 1.00 0.00 ATOM 688 CB PHE A 89 28.490 56.692 -1.278 1.00 0.00 ATOM 689 CG PHE A 89 28.010 56.269 0.080 1.00 0.00 ATOM 690 CD1 PHE A 89 27.233 55.134 0.233 1.00 0.00 ATOM 691 CD2 PHE A 89 28.333 57.007 1.205 1.00 0.00 ATOM 692 CE1 PHE A 89 26.790 54.744 1.483 1.00 0.00 ATOM 693 CE2 PHE A 89 27.890 56.619 2.455 1.00 0.00 ATOM 694 CZ PHE A 89 27.122 55.492 2.597 1.00 0.00 ATOM 695 O PHE A 89 25.177 57.526 -1.696 1.00 0.00 ATOM 696 C PHE A 89 26.159 57.071 -2.275 1.00 0.00 ATOM 697 N GLU A 90 26.105 56.007 -3.012 1.00 0.00 ATOM 698 CA GLU A 90 24.864 55.315 -3.335 1.00 0.00 ATOM 699 CB GLU A 90 25.013 54.446 -4.584 1.00 0.00 ATOM 700 CG GLU A 90 25.150 55.235 -5.876 1.00 0.00 ATOM 701 CD GLU A 90 25.242 54.341 -7.098 1.00 0.00 ATOM 702 OE1 GLU A 90 25.233 53.103 -6.930 1.00 0.00 ATOM 703 OE2 GLU A 90 25.321 54.879 -8.223 1.00 0.00 ATOM 704 O GLU A 90 25.200 53.926 -1.411 1.00 0.00 ATOM 705 C GLU A 90 24.411 54.383 -2.239 1.00 0.00 ATOM 706 N ASP A 91 23.121 54.078 -2.267 1.00 0.00 ATOM 707 CA ASP A 91 22.542 53.163 -1.307 1.00 0.00 ATOM 708 CB ASP A 91 21.018 53.307 -1.281 1.00 0.00 ATOM 709 CG ASP A 91 20.569 54.659 -0.763 1.00 0.00 ATOM 710 OD1 ASP A 91 21.097 55.101 0.279 1.00 0.00 ATOM 711 OD2 ASP A 91 19.689 55.275 -1.398 1.00 0.00 ATOM 712 O ASP A 91 22.020 51.225 -2.580 1.00 0.00 ATOM 713 C ASP A 91 22.667 51.702 -1.666 1.00 0.00 ATOM 714 N GLU A 92 23.531 51.018 -0.905 1.00 0.00 ATOM 715 CA GLU A 92 23.820 49.596 -1.112 1.00 0.00 ATOM 716 CB GLU A 92 24.968 49.132 -0.215 1.00 0.00 ATOM 717 CG GLU A 92 26.313 49.840 -0.447 1.00 0.00 ATOM 718 CD GLU A 92 26.842 49.683 -1.870 1.00 0.00 ATOM 719 OE1 GLU A 92 26.648 48.603 -2.468 1.00 0.00 ATOM 720 OE2 GLU A 92 27.467 50.643 -2.386 1.00 0.00 ATOM 721 O GLU A 92 21.514 49.424 -0.446 1.00 0.00 ATOM 722 C GLU A 92 22.474 48.857 -0.979 1.00 0.00 ATOM 723 N SER A 93 22.459 47.529 -1.486 1.00 0.00 ATOM 724 CA SER A 93 21.259 46.760 -1.440 1.00 0.00 ATOM 725 CB SER A 93 21.551 45.307 -1.824 1.00 0.00 ATOM 726 OG SER A 93 20.384 44.510 -1.727 1.00 0.00 ATOM 727 O SER A 93 21.438 46.780 0.949 1.00 0.00 ATOM 728 C SER A 93 20.700 46.838 -0.049 1.00 0.00 ATOM 729 N PHE A 94 19.351 47.021 0.116 1.00 0.00 ATOM 730 CA PHE A 94 18.703 47.096 1.390 1.00 0.00 ATOM 731 CB PHE A 94 17.331 47.756 1.233 1.00 0.00 ATOM 732 CG PHE A 94 17.395 49.182 0.764 1.00 0.00 ATOM 733 CD1 PHE A 94 17.147 49.502 -0.559 1.00 0.00 ATOM 734 CD2 PHE A 94 17.702 50.203 1.647 1.00 0.00 ATOM 735 CE1 PHE A 94 17.205 50.814 -0.990 1.00 0.00 ATOM 736 CE2 PHE A 94 17.760 51.515 1.215 1.00 0.00 ATOM 737 CZ PHE A 94 17.513 51.822 -0.096 1.00 0.00 ATOM 738 O PHE A 94 17.323 45.393 2.408 1.00 0.00 ATOM 739 C PHE A 94 18.459 45.737 2.059 1.00 0.00 ATOM 740 N ALA A 95 19.541 44.998 2.286 1.00 0.00 ATOM 741 CA ALA A 95 19.463 43.679 2.900 1.00 0.00 ATOM 742 CB ALA A 95 20.837 43.029 2.940 1.00 0.00 ATOM 743 O ALA A 95 17.879 43.185 4.633 1.00 0.00 ATOM 744 C ALA A 95 18.939 43.743 4.333 1.00 0.00 ATOM 745 N VAL A 96 19.658 44.450 5.202 1.00 0.00 ATOM 746 CA VAL A 96 19.257 44.586 6.603 1.00 0.00 ATOM 747 CB VAL A 96 20.398 45.175 7.463 1.00 0.00 ATOM 748 CG1 VAL A 96 19.968 45.283 8.921 1.00 0.00 ATOM 749 CG2 VAL A 96 21.642 44.297 7.348 1.00 0.00 ATOM 750 O VAL A 96 17.899 46.504 6.097 1.00 0.00 ATOM 751 C VAL A 96 18.034 45.484 6.779 1.00 0.00 ATOM 752 N LYS A 97 17.189 45.138 7.751 1.00 0.00 ATOM 753 CA LYS A 97 15.955 45.881 8.030 1.00 0.00 ATOM 754 CB LYS A 97 14.739 44.969 7.855 1.00 0.00 ATOM 755 CG LYS A 97 14.518 44.497 6.426 1.00 0.00 ATOM 756 CD LYS A 97 13.288 43.611 6.321 1.00 0.00 ATOM 757 CE LYS A 97 13.052 43.161 4.888 1.00 0.00 ATOM 758 NZ LYS A 97 11.838 42.307 4.768 1.00 0.00 ATOM 759 O LYS A 97 16.621 46.039 10.329 1.00 0.00 ATOM 760 C LYS A 97 15.863 46.439 9.446 1.00 0.00 ATOM 761 N HIS A 98 14.971 47.407 9.645 1.00 0.00 ATOM 762 CA HIS A 98 14.782 48.019 10.964 1.00 0.00 ATOM 763 CB HIS A 98 14.251 49.446 10.816 1.00 0.00 ATOM 764 CG HIS A 98 15.168 50.356 10.061 1.00 0.00 ATOM 765 CD2 HIS A 98 15.126 51.041 8.777 1.00 0.00 ATOM 766 ND1 HIS A 98 16.395 50.749 10.548 1.00 0.00 ATOM 767 CE1 HIS A 98 16.983 51.561 9.652 1.00 0.00 ATOM 768 NE2 HIS A 98 16.227 51.740 8.586 1.00 0.00 ATOM 769 O HIS A 98 12.801 47.670 12.300 1.00 0.00 ATOM 770 C HIS A 98 13.799 47.166 11.780 1.00 0.00 ATOM 771 N ASN A 99 14.097 45.875 11.897 1.00 0.00 ATOM 772 CA ASN A 99 13.227 44.933 12.597 1.00 0.00 ATOM 773 CB ASN A 99 13.465 43.517 12.072 1.00 0.00 ATOM 774 CG ASN A 99 12.992 43.337 10.644 1.00 0.00 ATOM 775 ND2 ASN A 99 13.614 42.407 9.928 1.00 0.00 ATOM 776 OD1 ASN A 99 12.078 44.027 10.191 1.00 0.00 ATOM 777 O ASN A 99 12.546 44.185 14.767 1.00 0.00 ATOM 778 C ASN A 99 13.375 44.847 14.127 1.00 0.00 ATOM 779 N ALA A 100 14.440 45.515 14.811 1.00 0.00 ATOM 780 CA ALA A 100 14.577 45.519 16.278 1.00 0.00 ATOM 781 CB ALA A 100 15.492 44.398 16.750 1.00 0.00 ATOM 782 O ALA A 100 15.764 47.563 15.884 1.00 0.00 ATOM 783 C ALA A 100 15.181 46.848 16.703 1.00 0.00 ATOM 784 N ALA A 101 15.001 47.226 17.980 1.00 0.00 ATOM 785 CA ALA A 101 15.565 48.498 18.437 1.00 0.00 ATOM 786 CB ALA A 101 15.091 48.814 19.848 1.00 0.00 ATOM 787 O ALA A 101 17.726 47.437 18.384 1.00 0.00 ATOM 788 C ALA A 101 17.094 48.496 18.452 1.00 0.00 ATOM 789 N PHE A 102 17.674 49.691 18.527 1.00 0.00 ATOM 790 CA PHE A 102 19.126 49.883 18.582 1.00 0.00 ATOM 791 CB PHE A 102 19.549 49.529 20.169 1.00 0.00 ATOM 792 CG PHE A 102 18.492 49.710 21.196 1.00 0.00 ATOM 793 CD1 PHE A 102 17.676 48.647 21.560 1.00 0.00 ATOM 794 CD2 PHE A 102 18.293 50.958 21.784 1.00 0.00 ATOM 795 CE1 PHE A 102 16.650 48.826 22.527 1.00 0.00 ATOM 796 CE2 PHE A 102 17.270 51.150 22.742 1.00 0.00 ATOM 797 CZ PHE A 102 16.461 50.074 23.103 1.00 0.00 ATOM 798 O PHE A 102 20.976 48.822 17.455 1.00 0.00 ATOM 799 C PHE A 102 19.910 49.419 17.359 1.00 0.00 ATOM 800 N LEU A 103 19.318 49.648 16.202 1.00 0.00 ATOM 801 CA LEU A 103 19.932 49.315 14.934 1.00 0.00 ATOM 802 CB LEU A 103 18.881 48.816 13.940 1.00 0.00 ATOM 803 CG LEU A 103 18.121 47.549 14.337 1.00 0.00 ATOM 804 CD1 LEU A 103 17.055 47.216 13.304 1.00 0.00 ATOM 805 CD2 LEU A 103 19.067 46.363 14.443 1.00 0.00 ATOM 806 O LEU A 103 20.044 51.714 14.754 1.00 0.00 ATOM 807 C LEU A 103 20.566 50.635 14.450 1.00 0.00 ATOM 808 N LEU A 104 21.733 50.560 13.810 1.00 0.00 ATOM 809 CA LEU A 104 22.411 51.763 13.304 1.00 0.00 ATOM 810 CB LEU A 104 23.885 51.720 13.753 1.00 0.00 ATOM 811 CG LEU A 104 24.751 52.949 13.501 1.00 0.00 ATOM 812 CD1 LEU A 104 24.389 54.083 14.435 1.00 0.00 ATOM 813 CD2 LEU A 104 26.216 52.504 13.660 1.00 0.00 ATOM 814 O LEU A 104 22.484 50.912 11.053 1.00 0.00 ATOM 815 C LEU A 104 22.148 51.829 11.802 1.00 0.00 ATOM 816 N SER A 105 21.550 52.933 11.369 1.00 0.00 ATOM 817 CA SER A 105 21.183 53.102 9.975 1.00 0.00 ATOM 818 CB SER A 105 19.665 53.024 9.796 1.00 0.00 ATOM 819 OG SER A 105 19.304 53.178 8.435 1.00 0.00 ATOM 820 O SER A 105 21.906 55.399 10.154 1.00 0.00 ATOM 821 C SER A 105 21.635 54.451 9.405 1.00 0.00 ATOM 822 N MET A 106 21.729 54.529 8.079 1.00 0.00 ATOM 823 CA MET A 106 22.158 55.759 7.421 1.00 0.00 ATOM 824 CB MET A 106 22.750 55.453 6.044 1.00 0.00 ATOM 825 CG MET A 106 23.998 54.586 6.083 1.00 0.00 ATOM 826 SD MET A 106 25.330 55.331 7.042 1.00 0.00 ATOM 827 CE MET A 106 25.768 56.717 5.996 1.00 0.00 ATOM 828 O MET A 106 19.978 56.415 6.687 1.00 0.00 ATOM 829 C MET A 106 21.033 56.758 7.216 1.00 0.00 ATOM 830 N ALA A 107 21.290 58.006 7.594 1.00 0.00 ATOM 831 CA ALA A 107 20.331 59.079 7.378 1.00 0.00 ATOM 832 CB ALA A 107 20.563 60.209 8.368 1.00 0.00 ATOM 833 O ALA A 107 21.727 59.362 5.436 1.00 0.00 ATOM 834 C ALA A 107 20.607 59.523 5.931 1.00 0.00 ATOM 835 N ASN A 108 19.580 59.998 5.229 1.00 0.00 ATOM 836 CA ASN A 108 19.765 60.460 3.854 1.00 0.00 ATOM 837 CB ASN A 108 19.616 59.296 2.873 1.00 0.00 ATOM 838 CG ASN A 108 18.254 58.634 2.957 1.00 0.00 ATOM 839 ND2 ASN A 108 18.249 57.319 3.144 1.00 0.00 ATOM 840 OD1 ASN A 108 17.222 59.297 2.857 1.00 0.00 ATOM 841 O ASN A 108 17.889 61.926 4.237 1.00 0.00 ATOM 842 C ASN A 108 18.749 61.532 3.441 1.00 0.00 ATOM 843 N ARG A 109 18.890 62.034 2.214 1.00 0.00 ATOM 844 CA ARG A 109 18.002 63.061 1.666 1.00 0.00 ATOM 845 CB ARG A 109 18.780 64.507 1.724 1.00 0.00 ATOM 846 CG ARG A 109 19.852 64.716 2.777 1.00 0.00 ATOM 847 CD ARG A 109 20.489 66.096 2.634 1.00 0.00 ATOM 848 NE ARG A 109 19.619 67.169 3.116 1.00 0.00 ATOM 849 CZ ARG A 109 19.924 68.464 3.048 1.00 0.00 ATOM 850 NH1 ARG A 109 21.073 68.843 2.509 1.00 0.00 ATOM 851 NH2 ARG A 109 19.091 69.378 3.531 1.00 0.00 ATOM 852 O ARG A 109 17.216 63.288 -0.597 1.00 0.00 ATOM 853 C ARG A 109 17.413 62.534 0.351 1.00 0.00 ATOM 854 N GLY A 110 17.136 61.237 0.302 1.00 0.00 ATOM 855 CA GLY A 110 16.600 60.629 -0.903 1.00 0.00 ATOM 856 O GLY A 110 18.505 59.232 -0.560 1.00 0.00 ATOM 857 C GLY A 110 17.528 59.504 -1.285 1.00 0.00 ATOM 858 N LYS A 111 17.244 58.884 -2.533 1.00 0.00 ATOM 859 CA LYS A 111 17.956 57.677 -2.933 1.00 0.00 ATOM 860 CB LYS A 111 17.471 57.200 -4.299 1.00 0.00 ATOM 861 CG LYS A 111 16.055 56.666 -4.223 1.00 0.00 ATOM 862 CD LYS A 111 15.511 56.254 -5.574 1.00 0.00 ATOM 863 CE LYS A 111 14.035 55.882 -5.441 1.00 0.00 ATOM 864 NZ LYS A 111 13.452 55.521 -6.756 1.00 0.00 ATOM 865 O LYS A 111 19.687 59.144 -3.728 1.00 0.00 ATOM 866 C LYS A 111 19.402 58.101 -3.137 1.00 0.00 ATOM 867 N ASP A 112 20.339 57.241 -2.722 1.00 0.00 ATOM 868 CA ASP A 112 21.739 57.346 -3.101 1.00 0.00 ATOM 869 CB ASP A 112 21.882 56.807 -4.643 1.00 0.00 ATOM 870 CG ASP A 112 21.191 55.530 -5.039 1.00 0.00 ATOM 871 OD1 ASP A 112 21.379 54.506 -4.349 1.00 0.00 ATOM 872 OD2 ASP A 112 20.473 55.539 -6.059 1.00 0.00 ATOM 873 O ASP A 112 23.052 59.323 -3.352 1.00 0.00 ATOM 874 C ASP A 112 22.334 58.657 -2.610 1.00 0.00 ATOM 875 N THR A 113 22.009 59.047 -1.382 1.00 0.00 ATOM 876 CA THR A 113 22.531 60.291 -0.823 1.00 0.00 ATOM 877 CB THR A 113 21.413 61.335 -0.655 1.00 0.00 ATOM 878 CG2 THR A 113 20.812 61.696 -2.004 1.00 0.00 ATOM 879 OG1 THR A 113 20.380 60.804 0.186 1.00 0.00 ATOM 880 O THR A 113 22.914 60.872 1.475 1.00 0.00 ATOM 881 C THR A 113 23.130 60.067 0.560 1.00 0.00 ATOM 882 N ASN A 114 23.926 59.005 0.694 1.00 0.00 ATOM 883 CA ASN A 114 24.577 58.684 1.966 1.00 0.00 ATOM 884 CB ASN A 114 24.839 57.155 2.076 1.00 0.00 ATOM 885 CG ASN A 114 23.612 56.308 1.829 1.00 0.00 ATOM 886 ND2 ASN A 114 23.687 55.429 0.833 1.00 0.00 ATOM 887 OD1 ASN A 114 22.606 56.437 2.525 1.00 0.00 ATOM 888 O ASN A 114 26.644 59.644 1.244 1.00 0.00 ATOM 889 C ASN A 114 25.821 59.542 2.149 1.00 0.00 ATOM 890 N GLY A 115 25.950 60.150 3.326 1.00 0.00 ATOM 891 CA GLY A 115 27.104 60.980 3.627 1.00 0.00 ATOM 892 O GLY A 115 28.323 59.373 4.919 1.00 0.00 ATOM 893 C GLY A 115 27.750 60.464 4.901 1.00 0.00 ATOM 894 N SER A 116 27.628 61.234 5.978 1.00 0.00 ATOM 895 CA SER A 116 28.187 60.853 7.273 1.00 0.00 ATOM 896 CB SER A 116 29.240 61.881 7.688 1.00 0.00 ATOM 897 OG SER A 116 28.658 63.160 7.876 1.00 0.00 ATOM 898 O SER A 116 27.346 60.099 9.384 1.00 0.00 ATOM 899 C SER A 116 27.076 60.731 8.316 1.00 0.00 ATOM 900 N GLN A 117 25.945 61.260 8.049 1.00 0.00 ATOM 901 CA GLN A 117 24.866 61.257 9.099 1.00 0.00 ATOM 902 CB GLN A 117 23.756 62.228 8.689 1.00 0.00 ATOM 903 CG GLN A 117 22.610 62.313 9.683 1.00 0.00 ATOM 904 CD GLN A 117 21.592 63.373 9.308 1.00 0.00 ATOM 905 OE1 GLN A 117 21.831 64.188 8.418 1.00 0.00 ATOM 906 NE2 GLN A 117 20.452 63.364 9.989 1.00 0.00 ATOM 907 O GLN A 117 23.976 59.181 8.302 1.00 0.00 ATOM 908 C GLN A 117 24.216 59.896 9.269 1.00 0.00 ATOM 909 N PHE A 118 23.935 59.553 10.521 1.00 0.00 ATOM 910 CA PHE A 118 23.346 58.268 10.873 1.00 0.00 ATOM 911 CB PHE A 118 24.437 57.294 11.321 1.00 0.00 ATOM 912 CG PHE A 118 25.141 57.709 12.581 1.00 0.00 ATOM 913 CD1 PHE A 118 24.700 57.266 13.815 1.00 0.00 ATOM 914 CD2 PHE A 118 26.245 58.544 12.532 1.00 0.00 ATOM 915 CE1 PHE A 118 25.348 57.648 14.975 1.00 0.00 ATOM 916 CE2 PHE A 118 26.892 58.926 13.692 1.00 0.00 ATOM 917 CZ PHE A 118 26.448 58.481 14.909 1.00 0.00 ATOM 918 O PHE A 118 22.349 59.456 12.705 1.00 0.00 ATOM 919 C PHE A 118 22.359 58.434 12.018 1.00 0.00 ATOM 920 N PHE A 119 21.567 57.395 12.254 1.00 0.00 ATOM 921 CA PHE A 119 20.618 57.406 13.356 1.00 0.00 ATOM 922 CB PHE A 119 19.235 58.018 12.926 1.00 0.00 ATOM 923 CG PHE A 119 18.545 57.170 11.872 1.00 0.00 ATOM 924 CD1 PHE A 119 18.852 57.359 10.513 1.00 0.00 ATOM 925 CD2 PHE A 119 17.590 56.255 12.212 1.00 0.00 ATOM 926 CE1 PHE A 119 18.241 56.529 9.479 1.00 0.00 ATOM 927 CE2 PHE A 119 17.013 55.495 11.299 1.00 0.00 ATOM 928 CZ PHE A 119 17.220 55.631 9.891 1.00 0.00 ATOM 929 O PHE A 119 20.866 55.010 13.399 1.00 0.00 ATOM 930 C PHE A 119 20.560 56.039 14.020 1.00 0.00 ATOM 931 N ILE A 120 20.258 56.050 15.313 1.00 0.00 ATOM 932 CA ILE A 120 20.129 54.826 16.088 1.00 0.00 ATOM 933 CB ILE A 120 21.068 54.832 17.308 1.00 0.00 ATOM 934 CG1 ILE A 120 22.525 54.953 16.858 1.00 0.00 ATOM 935 CG2 ILE A 120 20.914 53.547 18.105 1.00 0.00 ATOM 936 CD1 ILE A 120 23.499 55.167 17.997 1.00 0.00 ATOM 937 O ILE A 120 18.167 55.679 17.181 1.00 0.00 ATOM 938 C ILE A 120 18.675 54.754 16.550 1.00 0.00 ATOM 939 N THR A 121 17.950 53.674 16.169 1.00 0.00 ATOM 940 CA THR A 121 16.545 53.519 16.523 1.00 0.00 ATOM 941 CB THR A 121 15.835 52.551 15.560 1.00 0.00 ATOM 942 CG2 THR A 121 15.947 53.047 14.126 1.00 0.00 ATOM 943 OG1 THR A 121 16.438 51.254 15.649 1.00 0.00 ATOM 944 O THR A 121 17.266 52.269 18.450 1.00 0.00 ATOM 945 C THR A 121 16.366 52.923 17.924 1.00 0.00 ATOM 946 N THR A 122 15.192 53.137 18.515 1.00 0.00 ATOM 947 CA THR A 122 14.899 52.611 19.846 1.00 0.00 ATOM 948 CB THR A 122 14.608 53.759 20.831 1.00 0.00 ATOM 949 CG2 THR A 122 15.821 54.665 20.966 1.00 0.00 ATOM 950 OG1 THR A 122 13.500 54.534 20.352 1.00 0.00 ATOM 951 O THR A 122 13.526 50.878 20.768 1.00 0.00 ATOM 952 C THR A 122 13.769 51.592 19.795 1.00 0.00 ATOM 953 N LYS A 123 13.063 51.610 18.697 1.00 0.00 ATOM 954 CA LYS A 123 11.967 50.667 18.530 1.00 0.00 ATOM 955 CB LYS A 123 10.740 51.517 18.336 1.00 0.00 ATOM 956 CG LYS A 123 10.271 52.099 19.636 1.00 0.00 ATOM 957 CD LYS A 123 8.991 52.861 19.461 1.00 0.00 ATOM 958 CE LYS A 123 8.343 53.118 20.807 1.00 0.00 ATOM 959 NZ LYS A 123 7.066 53.912 20.657 1.00 0.00 ATOM 960 O LYS A 123 12.649 50.872 16.239 1.00 0.00 ATOM 961 C LYS A 123 12.007 50.218 17.068 1.00 0.00 ATOM 962 N PRO A 124 11.332 49.097 16.727 1.00 0.00 ATOM 963 CA PRO A 124 11.357 48.665 15.319 1.00 0.00 ATOM 964 CB PRO A 124 10.550 47.365 15.318 1.00 0.00 ATOM 965 CG PRO A 124 10.643 46.866 16.720 1.00 0.00 ATOM 966 CD PRO A 124 10.629 48.085 17.598 1.00 0.00 ATOM 967 O PRO A 124 9.777 50.417 14.813 1.00 0.00 ATOM 968 C PRO A 124 10.696 49.705 14.398 1.00 0.00 ATOM 969 N THR A 125 11.199 49.820 13.169 1.00 0.00 ATOM 970 CA THR A 125 10.677 50.794 12.211 1.00 0.00 ATOM 971 CB THR A 125 11.506 52.090 12.251 1.00 0.00 ATOM 972 CG2 THR A 125 11.434 52.729 13.630 1.00 0.00 ATOM 973 OG1 THR A 125 12.876 51.794 11.949 1.00 0.00 ATOM 974 O THR A 125 11.425 50.830 9.931 1.00 0.00 ATOM 975 C THR A 125 10.716 50.278 10.773 1.00 0.00 ATOM 976 N PRO A 126 9.938 49.224 10.468 1.00 0.00 ATOM 977 CA PRO A 126 9.888 48.629 9.124 1.00 0.00 ATOM 978 CB PRO A 126 8.816 47.544 9.240 1.00 0.00 ATOM 979 CG PRO A 126 7.961 47.984 10.379 1.00 0.00 ATOM 980 CD PRO A 126 8.884 48.647 11.363 1.00 0.00 ATOM 981 O PRO A 126 9.941 49.317 6.857 1.00 0.00 ATOM 982 C PRO A 126 9.565 49.603 7.989 1.00 0.00 ATOM 983 N HIS A 127 8.846 50.690 8.288 1.00 0.00 ATOM 984 CA HIS A 127 8.489 51.663 7.254 1.00 0.00 ATOM 985 CB HIS A 127 7.930 52.911 7.876 1.00 0.00 ATOM 986 CG HIS A 127 6.722 52.669 8.716 1.00 0.00 ATOM 987 CD2 HIS A 127 5.824 51.634 8.701 1.00 0.00 ATOM 988 ND1 HIS A 127 6.319 53.517 9.731 1.00 0.00 ATOM 989 CE1 HIS A 127 5.210 53.033 10.288 1.00 0.00 ATOM 990 NE2 HIS A 127 4.906 51.874 9.696 1.00 0.00 ATOM 991 O HIS A 127 9.646 52.906 5.548 1.00 0.00 ATOM 992 C HIS A 127 9.722 52.338 6.640 1.00 0.00 ATOM 993 N LEU A 128 10.836 52.264 7.359 1.00 0.00 ATOM 994 CA LEU A 128 12.090 52.860 6.889 1.00 0.00 ATOM 995 CB LEU A 128 12.956 53.258 8.085 1.00 0.00 ATOM 996 CG LEU A 128 12.367 54.309 9.029 1.00 0.00 ATOM 997 CD1 LEU A 128 13.282 54.534 10.221 1.00 0.00 ATOM 998 CD2 LEU A 128 12.184 55.637 8.311 1.00 0.00 ATOM 999 O LEU A 128 13.932 52.306 5.446 1.00 0.00 ATOM 1000 C LEU A 128 12.907 51.910 6.013 1.00 0.00 ATOM 1001 N ASP A 129 12.465 50.652 5.930 1.00 0.00 ATOM 1002 CA ASP A 129 13.127 49.638 5.104 1.00 0.00 ATOM 1003 CB ASP A 129 12.377 48.299 5.197 1.00 0.00 ATOM 1004 CG ASP A 129 13.050 47.251 4.388 1.00 0.00 ATOM 1005 OD1 ASP A 129 14.256 46.996 4.628 1.00 0.00 ATOM 1006 OD2 ASP A 129 12.482 46.666 3.456 1.00 0.00 ATOM 1007 O ASP A 129 12.015 50.606 3.221 1.00 0.00 ATOM 1008 C ASP A 129 13.042 50.074 3.653 1.00 0.00 ATOM 1009 N GLY A 130 14.121 49.841 2.909 1.00 0.00 ATOM 1010 CA GLY A 130 14.207 50.202 1.496 1.00 0.00 ATOM 1011 O GLY A 130 14.724 52.063 0.078 1.00 0.00 ATOM 1012 C GLY A 130 14.528 51.659 1.231 1.00 0.00 ATOM 1013 N HIS A 131 14.475 52.489 2.328 1.00 0.00 ATOM 1014 CA HIS A 131 14.790 53.908 2.226 1.00 0.00 ATOM 1015 CB HIS A 131 13.653 54.633 2.949 1.00 0.00 ATOM 1016 CG HIS A 131 12.297 54.346 2.384 1.00 0.00 ATOM 1017 CD2 HIS A 131 11.138 53.575 2.809 1.00 0.00 ATOM 1018 ND1 HIS A 131 11.871 54.854 1.177 1.00 0.00 ATOM 1019 CE1 HIS A 131 10.618 54.425 0.938 1.00 0.00 ATOM 1020 NE2 HIS A 131 10.172 53.657 1.913 1.00 0.00 ATOM 1021 O HIS A 131 16.923 55.025 2.365 1.00 0.00 ATOM 1022 C HIS A 131 16.132 54.242 2.889 1.00 0.00 ATOM 1023 N HIS A 132 16.387 53.621 4.037 1.00 0.00 ATOM 1024 CA HIS A 132 17.621 53.844 4.779 1.00 0.00 ATOM 1025 CB HIS A 132 17.314 54.362 6.186 1.00 0.00 ATOM 1026 CG HIS A 132 16.553 55.652 6.202 1.00 0.00 ATOM 1027 CD2 HIS A 132 15.149 56.026 6.285 1.00 0.00 ATOM 1028 ND1 HIS A 132 17.170 56.882 6.127 1.00 0.00 ATOM 1029 CE1 HIS A 132 16.231 57.845 6.163 1.00 0.00 ATOM 1030 NE2 HIS A 132 15.017 57.340 6.257 1.00 0.00 ATOM 1031 O HIS A 132 17.836 51.506 5.258 1.00 0.00 ATOM 1032 C HIS A 132 18.401 52.543 4.901 1.00 0.00 ATOM 1033 N VAL A 133 19.692 52.593 4.576 1.00 0.00 ATOM 1034 CA VAL A 133 20.549 51.416 4.651 1.00 0.00 ATOM 1035 CB VAL A 133 21.841 51.606 3.836 1.00 0.00 ATOM 1036 CG1 VAL A 133 22.750 50.395 3.988 1.00 0.00 ATOM 1037 CG2 VAL A 133 21.519 51.783 2.360 1.00 0.00 ATOM 1038 O VAL A 133 21.548 51.956 6.760 1.00 0.00 ATOM 1039 C VAL A 133 20.960 51.111 6.088 1.00 0.00 ATOM 1040 N VAL A 134 20.556 49.937 6.572 1.00 0.00 ATOM 1041 CA VAL A 134 20.894 49.473 7.916 1.00 0.00 ATOM 1042 CB VAL A 134 19.881 48.524 8.533 1.00 0.00 ATOM 1043 CG1 VAL A 134 20.341 48.164 9.946 1.00 0.00 ATOM 1044 CG2 VAL A 134 18.525 49.219 8.601 1.00 0.00 ATOM 1045 O VAL A 134 22.368 47.892 6.878 1.00 0.00 ATOM 1046 C VAL A 134 22.220 48.740 7.766 1.00 0.00 ATOM 1047 N PHE A 135 23.182 49.066 8.621 1.00 0.00 ATOM 1048 CA PHE A 135 24.505 48.462 8.516 1.00 0.00 ATOM 1049 CB PHE A 135 25.499 49.455 7.910 1.00 0.00 ATOM 1050 CG PHE A 135 25.738 50.669 8.761 1.00 0.00 ATOM 1051 CD1 PHE A 135 26.775 50.698 9.677 1.00 0.00 ATOM 1052 CD2 PHE A 135 24.926 51.785 8.643 1.00 0.00 ATOM 1053 CE1 PHE A 135 26.994 51.816 10.460 1.00 0.00 ATOM 1054 CE2 PHE A 135 25.146 52.903 9.425 1.00 0.00 ATOM 1055 CZ PHE A 135 26.174 52.921 10.330 1.00 0.00 ATOM 1056 O PHE A 135 26.103 47.262 9.812 1.00 0.00 ATOM 1057 C PHE A 135 25.077 47.940 9.821 1.00 0.00 ATOM 1058 N GLY A 136 24.468 48.307 10.942 1.00 0.00 ATOM 1059 CA GLY A 136 24.982 47.852 12.219 1.00 0.00 ATOM 1060 O GLY A 136 22.783 48.072 13.134 1.00 0.00 ATOM 1061 C GLY A 136 23.946 47.732 13.300 1.00 0.00 ATOM 1062 N GLN A 137 24.384 47.294 14.486 1.00 0.00 ATOM 1063 CA GLN A 137 23.532 47.058 15.638 1.00 0.00 ATOM 1064 CB GLN A 137 23.104 45.590 15.697 1.00 0.00 ATOM 1065 CG GLN A 137 22.126 45.274 16.818 1.00 0.00 ATOM 1066 CD GLN A 137 21.672 43.828 16.803 1.00 0.00 ATOM 1067 OE1 GLN A 137 22.111 43.039 15.966 1.00 0.00 ATOM 1068 NE2 GLN A 137 20.792 43.476 17.732 1.00 0.00 ATOM 1069 O GLN A 137 25.501 47.123 17.004 1.00 0.00 ATOM 1070 C GLN A 137 24.309 47.410 16.906 1.00 0.00 ATOM 1071 N VAL A 138 23.644 48.049 17.861 1.00 0.00 ATOM 1072 CA VAL A 138 24.282 48.385 19.134 1.00 0.00 ATOM 1073 CB VAL A 138 23.519 49.456 19.902 1.00 0.00 ATOM 1074 CG1 VAL A 138 24.171 49.637 21.256 1.00 0.00 ATOM 1075 CG2 VAL A 138 23.426 50.741 19.049 1.00 0.00 ATOM 1076 O VAL A 138 23.279 46.453 20.159 1.00 0.00 ATOM 1077 C VAL A 138 24.318 47.114 19.973 1.00 0.00 ATOM 1078 N ILE A 139 25.503 46.752 20.480 1.00 0.00 ATOM 1079 CA ILE A 139 25.746 45.529 21.233 1.00 0.00 ATOM 1080 CB ILE A 139 26.983 44.776 20.487 1.00 0.00 ATOM 1081 CG1 ILE A 139 26.663 44.458 19.023 1.00 0.00 ATOM 1082 CG2 ILE A 139 27.383 43.524 21.239 1.00 0.00 ATOM 1083 CD1 ILE A 139 25.412 43.631 18.811 1.00 0.00 ATOM 1084 O ILE A 139 25.639 44.859 23.540 1.00 0.00 ATOM 1085 C ILE A 139 25.889 45.759 22.740 1.00 0.00 ATOM 1086 N SER A 140 26.304 46.963 23.120 1.00 0.00 ATOM 1087 CA SER A 140 26.435 47.331 24.525 1.00 0.00 ATOM 1088 CB SER A 140 27.854 47.118 25.016 1.00 0.00 ATOM 1089 OG SER A 140 27.922 47.377 26.409 1.00 0.00 ATOM 1090 O SER A 140 26.633 49.557 23.655 1.00 0.00 ATOM 1091 C SER A 140 26.288 48.842 24.597 1.00 0.00 ATOM 1092 N GLY A 141 25.840 49.338 25.742 1.00 0.00 ATOM 1093 CA GLY A 141 25.642 50.767 25.884 1.00 0.00 ATOM 1094 O GLY A 141 24.123 52.483 25.224 1.00 0.00 ATOM 1095 C GLY A 141 24.299 51.279 25.395 1.00 0.00 ATOM 1096 N GLN A 142 23.361 50.372 25.178 1.00 0.00 ATOM 1097 CA GLN A 142 22.036 50.753 24.690 1.00 0.00 ATOM 1098 CB GLN A 142 21.140 49.536 24.455 1.00 0.00 ATOM 1099 CG GLN A 142 21.593 48.646 23.309 1.00 0.00 ATOM 1100 CD GLN A 142 20.696 47.436 23.122 1.00 0.00 ATOM 1101 OE1 GLN A 142 19.706 47.270 23.833 1.00 0.00 ATOM 1102 NE2 GLN A 142 21.044 46.587 22.163 1.00 0.00 ATOM 1103 O GLN A 142 20.607 52.606 25.243 1.00 0.00 ATOM 1104 C GLN A 142 21.390 51.753 25.654 1.00 0.00 ATOM 1105 N GLU A 143 21.730 51.639 26.942 1.00 0.00 ATOM 1106 CA GLU A 143 21.199 52.534 27.969 1.00 0.00 ATOM 1107 CB GLU A 143 21.554 52.042 29.374 1.00 0.00 ATOM 1108 CG GLU A 143 20.910 50.718 29.750 1.00 0.00 ATOM 1109 CD GLU A 143 21.341 50.228 31.118 1.00 0.00 ATOM 1110 OE1 GLU A 143 22.153 50.919 31.769 1.00 0.00 ATOM 1111 OE2 GLU A 143 20.865 49.154 31.542 1.00 0.00 ATOM 1112 O GLU A 143 21.006 54.914 28.192 1.00 0.00 ATOM 1113 C GLU A 143 21.703 53.968 27.812 1.00 0.00 ATOM 1114 N VAL A 144 22.919 54.153 27.268 1.00 0.00 ATOM 1115 CA VAL A 144 23.454 55.501 27.047 1.00 0.00 ATOM 1116 CB VAL A 144 24.967 55.497 26.762 1.00 0.00 ATOM 1117 CG1 VAL A 144 25.448 56.896 26.412 1.00 0.00 ATOM 1118 CG2 VAL A 144 25.739 55.014 27.981 1.00 0.00 ATOM 1119 O VAL A 144 22.371 57.275 25.867 1.00 0.00 ATOM 1120 C VAL A 144 22.648 56.086 25.889 1.00 0.00 ATOM 1121 N VAL A 145 22.256 55.233 24.919 1.00 0.00 ATOM 1122 CA VAL A 145 21.468 55.706 23.783 1.00 0.00 ATOM 1123 CB VAL A 145 21.203 54.557 22.794 1.00 0.00 ATOM 1124 CG1 VAL A 145 20.237 55.000 21.707 1.00 0.00 ATOM 1125 CG2 VAL A 145 22.499 54.113 22.134 1.00 0.00 ATOM 1126 O VAL A 145 19.717 57.353 23.886 1.00 0.00 ATOM 1127 C VAL A 145 20.123 56.266 24.287 1.00 0.00 ATOM 1128 N ARG A 146 19.440 55.529 25.168 1.00 0.00 ATOM 1129 CA ARG A 146 18.178 56.014 25.747 1.00 0.00 ATOM 1130 CB ARG A 146 17.478 54.755 26.446 1.00 0.00 ATOM 1131 CG ARG A 146 16.892 53.714 25.503 1.00 0.00 ATOM 1132 CD ARG A 146 15.918 52.793 26.239 1.00 0.00 ATOM 1133 NE ARG A 146 16.568 52.005 27.281 1.00 0.00 ATOM 1134 CZ ARG A 146 17.297 50.913 27.057 1.00 0.00 ATOM 1135 NH1 ARG A 146 17.475 50.467 25.823 1.00 0.00 ATOM 1136 NH2 ARG A 146 17.851 50.267 28.073 1.00 0.00 ATOM 1137 O ARG A 146 17.450 58.100 26.684 1.00 0.00 ATOM 1138 C ARG A 146 18.333 57.246 26.634 1.00 0.00 ATOM 1139 N GLU A 147 19.473 57.345 27.310 1.00 0.00 ATOM 1140 CA GLU A 147 19.776 58.501 28.150 1.00 0.00 ATOM 1141 CB GLU A 147 21.138 58.331 28.824 1.00 0.00 ATOM 1142 CG GLU A 147 21.509 59.464 29.770 1.00 0.00 ATOM 1143 CD GLU A 147 22.849 59.245 30.444 1.00 0.00 ATOM 1144 OE1 GLU A 147 23.482 58.200 30.183 1.00 0.00 ATOM 1145 OE2 GLU A 147 23.265 60.116 31.235 1.00 0.00 ATOM 1146 O GLU A 147 19.146 60.767 27.578 1.00 0.00 ATOM 1147 C GLU A 147 19.780 59.758 27.258 1.00 0.00 ATOM 1148 N ILE A 148 20.479 59.670 26.126 1.00 0.00 ATOM 1149 CA ILE A 148 20.572 60.766 25.163 1.00 0.00 ATOM 1150 CB ILE A 148 21.539 60.427 24.013 1.00 0.00 ATOM 1151 CG1 ILE A 148 22.975 60.335 24.536 1.00 0.00 ATOM 1152 CG2 ILE A 148 21.485 61.501 22.938 1.00 0.00 ATOM 1153 CD1 ILE A 148 23.951 59.752 23.537 1.00 0.00 ATOM 1154 O ILE A 148 18.811 62.225 24.417 1.00 0.00 ATOM 1155 C ILE A 148 19.201 61.064 24.551 1.00 0.00 ATOM 1156 N GLU A 149 18.466 60.004 24.221 1.00 0.00 ATOM 1157 CA GLU A 149 17.146 60.109 23.602 1.00 0.00 ATOM 1158 CB GLU A 149 16.626 58.654 23.306 1.00 0.00 ATOM 1159 CG GLU A 149 15.393 58.624 22.460 1.00 0.00 ATOM 1160 CD GLU A 149 14.702 57.304 22.297 1.00 0.00 ATOM 1161 OE1 GLU A 149 14.948 56.307 22.963 1.00 0.00 ATOM 1162 OE2 GLU A 149 13.781 57.276 21.391 1.00 0.00 ATOM 1163 O GLU A 149 15.240 61.558 23.841 1.00 0.00 ATOM 1164 C GLU A 149 16.100 60.876 24.410 1.00 0.00 ATOM 1165 N ASN A 150 16.168 60.767 25.732 1.00 0.00 ATOM 1166 CA ASN A 150 15.194 61.438 26.582 1.00 0.00 ATOM 1167 CB ASN A 150 14.879 60.585 27.813 1.00 0.00 ATOM 1168 CG ASN A 150 14.160 59.297 27.460 1.00 0.00 ATOM 1169 ND2 ASN A 150 14.815 58.169 27.705 1.00 0.00 ATOM 1170 OD1 ASN A 150 13.028 59.320 26.975 1.00 0.00 ATOM 1171 O ASN A 150 14.954 63.313 28.049 1.00 0.00 ATOM 1172 C ASN A 150 15.591 62.797 27.131 1.00 0.00 ATOM 1173 N GLN A 151 16.627 63.387 26.542 1.00 0.00 ATOM 1174 CA GLN A 151 17.103 64.705 26.951 1.00 0.00 ATOM 1175 CB GLN A 151 18.486 64.981 26.361 1.00 0.00 ATOM 1176 CG GLN A 151 19.574 64.047 26.864 1.00 0.00 ATOM 1177 CD GLN A 151 19.791 64.157 28.361 1.00 0.00 ATOM 1178 OE1 GLN A 151 20.032 65.245 28.884 1.00 0.00 ATOM 1179 NE2 GLN A 151 19.705 63.028 29.054 1.00 0.00 ATOM 1180 O GLN A 151 15.581 65.665 25.361 1.00 0.00 ATOM 1181 C GLN A 151 16.142 65.781 26.455 1.00 0.00 ATOM 1182 N LYS A 152 15.980 66.838 27.244 1.00 0.00 ATOM 1183 CA LYS A 152 15.093 67.941 26.885 1.00 0.00 ATOM 1184 CB LYS A 152 15.084 69.002 27.986 1.00 0.00 ATOM 1185 CG LYS A 152 14.118 70.150 27.735 1.00 0.00 ATOM 1186 CD LYS A 152 14.096 71.119 28.905 1.00 0.00 ATOM 1187 CE LYS A 152 13.143 72.275 28.647 1.00 0.00 ATOM 1188 NZ LYS A 152 13.100 73.225 29.792 1.00 0.00 ATOM 1189 O LYS A 152 16.699 68.974 25.444 1.00 0.00 ATOM 1190 C LYS A 152 15.533 68.608 25.581 1.00 0.00 ATOM 1191 N THR A 153 14.594 68.766 24.630 1.00 0.00 ATOM 1192 CA THR A 153 14.950 69.383 23.348 1.00 0.00 ATOM 1193 CB THR A 153 14.672 68.413 22.186 1.00 0.00 ATOM 1194 CG2 THR A 153 15.446 67.116 22.378 1.00 0.00 ATOM 1195 OG1 THR A 153 13.272 68.113 22.132 1.00 0.00 ATOM 1196 O THR A 153 13.142 70.922 23.738 1.00 0.00 ATOM 1197 C THR A 153 14.131 70.638 23.060 1.00 0.00 ATOM 1198 N ASP A 154 14.554 71.384 22.041 1.00 0.00 ATOM 1199 CA ASP A 154 13.844 72.583 21.612 1.00 0.00 ATOM 1200 CB ASP A 154 14.834 73.649 21.138 1.00 0.00 ATOM 1201 CG ASP A 154 15.609 73.217 19.907 1.00 0.00 ATOM 1202 OD1 ASP A 154 15.257 72.172 19.320 1.00 0.00 ATOM 1203 OD2 ASP A 154 16.568 73.923 19.533 1.00 0.00 ATOM 1204 O ASP A 154 12.818 71.006 20.120 1.00 0.00 ATOM 1205 C ASP A 154 12.910 72.188 20.460 1.00 0.00 ATOM 1206 N ALA A 155 12.250 73.168 19.844 1.00 0.00 ATOM 1207 CA ALA A 155 11.305 72.901 18.754 1.00 0.00 ATOM 1208 CB ALA A 155 10.646 74.192 18.295 1.00 0.00 ATOM 1209 O ALA A 155 11.143 71.675 16.691 1.00 0.00 ATOM 1210 C ALA A 155 11.885 72.269 17.480 1.00 0.00 ATOM 1211 N ALA A 156 13.199 72.402 17.285 1.00 0.00 ATOM 1212 CA ALA A 156 13.884 71.828 16.120 1.00 0.00 ATOM 1213 CB ALA A 156 15.075 72.689 15.729 1.00 0.00 ATOM 1214 O ALA A 156 15.076 69.771 15.657 1.00 0.00 ATOM 1215 C ALA A 156 14.373 70.394 16.454 1.00 0.00 ATOM 1216 N SER A 157 13.967 69.873 17.614 1.00 0.00 ATOM 1217 CA SER A 157 14.344 68.534 18.087 1.00 0.00 ATOM 1218 CB SER A 157 14.101 67.484 17.000 1.00 0.00 ATOM 1219 OG SER A 157 12.727 67.412 16.659 1.00 0.00 ATOM 1220 O SER A 157 16.329 67.308 18.707 1.00 0.00 ATOM 1221 C SER A 157 15.818 68.413 18.491 1.00 0.00 ATOM 1222 N LYS A 158 16.477 69.559 18.632 1.00 0.00 ATOM 1223 CA LYS A 158 17.879 69.601 19.026 1.00 0.00 ATOM 1224 CB LYS A 158 18.541 70.881 18.513 1.00 0.00 ATOM 1225 CG LYS A 158 20.024 70.983 18.831 1.00 0.00 ATOM 1226 CD LYS A 158 20.626 72.254 18.255 1.00 0.00 ATOM 1227 CE LYS A 158 22.105 72.366 18.588 1.00 0.00 ATOM 1228 NZ LYS A 158 22.719 73.585 17.991 1.00 0.00 ATOM 1229 O LYS A 158 17.292 70.322 21.230 1.00 0.00 ATOM 1230 C LYS A 158 17.988 69.575 20.549 1.00 0.00 ATOM 1231 N PRO A 159 18.825 68.677 21.106 1.00 0.00 ATOM 1232 CA PRO A 159 18.982 68.602 22.563 1.00 0.00 ATOM 1233 CB PRO A 159 19.985 67.465 22.769 1.00 0.00 ATOM 1234 CG PRO A 159 19.848 66.621 21.547 1.00 0.00 ATOM 1235 CD PRO A 159 19.608 67.573 20.409 1.00 0.00 ATOM 1236 O PRO A 159 20.353 70.575 22.503 1.00 0.00 ATOM 1237 C PRO A 159 19.506 69.927 23.122 1.00 0.00 ATOM 1238 N PHE A 160 18.999 70.327 24.284 1.00 0.00 ATOM 1239 CA PHE A 160 19.435 71.561 24.935 1.00 0.00 ATOM 1240 CB PHE A 160 18.553 71.869 26.147 1.00 0.00 ATOM 1241 CG PHE A 160 18.927 73.135 26.862 1.00 0.00 ATOM 1242 CD1 PHE A 160 18.568 74.369 26.350 1.00 0.00 ATOM 1243 CD2 PHE A 160 19.638 73.092 28.048 1.00 0.00 ATOM 1244 CE1 PHE A 160 18.912 75.535 27.008 1.00 0.00 ATOM 1245 CE2 PHE A 160 19.982 74.258 28.708 1.00 0.00 ATOM 1246 CZ PHE A 160 19.622 75.475 28.192 1.00 0.00 ATOM 1247 O PHE A 160 21.684 72.347 25.292 1.00 0.00 ATOM 1248 C PHE A 160 20.884 71.414 25.406 1.00 0.00 ATOM 1249 N ALA A 161 21.217 70.225 25.904 1.00 0.00 ATOM 1250 CA ALA A 161 22.565 69.921 26.377 1.00 0.00 ATOM 1251 CB ALA A 161 22.540 68.730 27.322 1.00 0.00 ATOM 1252 O ALA A 161 23.036 69.175 24.131 1.00 0.00 ATOM 1253 C ALA A 161 23.496 69.561 25.211 1.00 0.00 ATOM 1254 N GLU A 162 24.802 69.719 25.423 1.00 0.00 ATOM 1255 CA GLU A 162 25.805 69.383 24.409 1.00 0.00 ATOM 1256 CB GLU A 162 27.094 70.168 24.659 1.00 0.00 ATOM 1257 CG GLU A 162 26.938 71.674 24.526 1.00 0.00 ATOM 1258 CD GLU A 162 28.239 72.418 24.761 1.00 0.00 ATOM 1259 OE1 GLU A 162 29.248 71.759 25.091 1.00 0.00 ATOM 1260 OE2 GLU A 162 28.248 73.659 24.615 1.00 0.00 ATOM 1261 O GLU A 162 26.721 67.420 25.414 1.00 0.00 ATOM 1262 C GLU A 162 26.119 67.897 24.455 1.00 0.00 ATOM 1263 N VAL A 163 25.676 67.164 23.441 1.00 0.00 ATOM 1264 CA VAL A 163 25.925 65.726 23.377 1.00 0.00 ATOM 1265 CB VAL A 163 24.693 64.962 22.860 1.00 0.00 ATOM 1266 CG1 VAL A 163 24.984 63.471 22.782 1.00 0.00 ATOM 1267 CG2 VAL A 163 23.507 65.172 23.790 1.00 0.00 ATOM 1268 O VAL A 163 26.938 65.669 21.205 1.00 0.00 ATOM 1269 C VAL A 163 27.096 65.561 22.419 1.00 0.00 ATOM 1270 N ARG A 164 28.276 65.316 22.981 1.00 0.00 ATOM 1271 CA ARG A 164 29.504 65.201 22.202 1.00 0.00 ATOM 1272 CB ARG A 164 30.564 66.173 22.725 1.00 0.00 ATOM 1273 CG ARG A 164 30.216 67.639 22.522 1.00 0.00 ATOM 1274 CD ARG A 164 31.333 68.544 23.014 1.00 0.00 ATOM 1275 NE ARG A 164 31.025 69.957 22.804 1.00 0.00 ATOM 1276 CZ ARG A 164 31.843 70.955 23.123 1.00 0.00 ATOM 1277 NH1 ARG A 164 31.476 72.210 22.895 1.00 0.00 ATOM 1278 NH2 ARG A 164 33.024 70.696 23.666 1.00 0.00 ATOM 1279 O ARG A 164 30.206 63.119 23.200 1.00 0.00 ATOM 1280 C ARG A 164 30.187 63.832 22.191 1.00 0.00 ATOM 1281 N ILE A 165 30.717 63.459 21.027 1.00 0.00 ATOM 1282 CA ILE A 165 31.456 62.210 20.898 1.00 0.00 ATOM 1283 CB ILE A 165 31.445 61.696 19.446 1.00 0.00 ATOM 1284 CG1 ILE A 165 30.009 61.454 18.976 1.00 0.00 ATOM 1285 CG2 ILE A 165 32.214 60.388 19.339 1.00 0.00 ATOM 1286 CD1 ILE A 165 29.898 61.116 17.506 1.00 0.00 ATOM 1287 O ILE A 165 33.721 62.985 20.546 1.00 0.00 ATOM 1288 C ILE A 165 32.894 62.527 21.342 1.00 0.00 ATOM 1289 N LEU A 166 33.174 62.272 22.620 1.00 0.00 ATOM 1290 CA LEU A 166 34.485 62.521 23.221 1.00 0.00 ATOM 1291 CB LEU A 166 34.479 62.126 24.698 1.00 0.00 ATOM 1292 CG LEU A 166 35.802 62.288 25.448 1.00 0.00 ATOM 1293 CD1 LEU A 166 36.226 63.749 25.483 1.00 0.00 ATOM 1294 CD2 LEU A 166 35.673 61.796 26.881 1.00 0.00 ATOM 1295 O LEU A 166 36.717 62.128 22.410 1.00 0.00 ATOM 1296 C LEU A 166 35.602 61.656 22.636 1.00 0.00 ATOM 1297 N SER A 167 35.319 60.372 22.424 1.00 0.00 ATOM 1298 CA SER A 167 36.308 59.481 21.838 1.00 0.00 ATOM 1299 CB SER A 167 37.064 58.636 22.865 1.00 0.00 ATOM 1300 OG SER A 167 37.832 59.450 23.732 1.00 0.00 ATOM 1301 O SER A 167 34.342 58.314 21.091 1.00 0.00 ATOM 1302 C SER A 167 35.536 58.553 20.909 1.00 0.00 ATOM 1303 N CYS A 168 36.243 58.012 19.928 1.00 0.00 ATOM 1304 CA CYS A 168 35.676 57.064 18.982 1.00 0.00 ATOM 1305 CB CYS A 168 35.047 57.772 17.807 1.00 0.00 ATOM 1306 SG CYS A 168 34.438 56.640 16.532 1.00 0.00 ATOM 1307 O CYS A 168 37.949 56.803 18.206 1.00 0.00 ATOM 1308 C CYS A 168 36.823 56.311 18.320 1.00 0.00 ATOM 1309 N GLY A 169 36.531 55.116 17.888 1.00 0.00 ATOM 1310 CA GLY A 169 37.549 54.314 17.231 1.00 0.00 ATOM 1311 O GLY A 169 35.886 52.600 17.209 1.00 0.00 ATOM 1312 C GLY A 169 37.081 52.890 17.080 1.00 0.00 ATOM 1313 N GLU A 170 38.084 51.936 16.840 1.00 0.00 ATOM 1314 CA GLU A 170 37.799 50.531 16.626 1.00 0.00 ATOM 1315 CB GLU A 170 38.569 49.980 15.387 1.00 0.00 ATOM 1316 CG GLU A 170 40.067 49.791 15.622 1.00 0.00 ATOM 1317 CD GLU A 170 40.828 49.304 14.378 1.00 0.00 ATOM 1318 OE1 GLU A 170 40.315 49.420 13.249 1.00 0.00 ATOM 1319 OE2 GLU A 170 41.959 48.792 14.532 1.00 0.00 ATOM 1320 O GLU A 170 38.999 49.990 18.648 1.00 0.00 ATOM 1321 C GLU A 170 38.119 49.667 17.844 1.00 0.00 ATOM 1322 N LEU A 171 37.353 48.551 17.912 1.00 0.00 ATOM 1323 CA LEU A 171 37.576 47.627 19.046 1.00 0.00 ATOM 1324 CB LEU A 171 36.246 47.090 19.614 1.00 0.00 ATOM 1325 CG LEU A 171 35.279 48.187 20.145 1.00 0.00 ATOM 1326 CD1 LEU A 171 34.052 47.629 20.735 1.00 0.00 ATOM 1327 CD2 LEU A 171 35.951 49.048 21.158 1.00 0.00 ATOM 1328 O LEU A 171 39.082 45.839 19.550 1.00 0.00 ATOM 1329 C LEU A 171 38.361 46.368 18.705 1.00 0.00 ATOM 1330 N ILE A 172 38.180 45.916 17.454 1.00 0.00 ATOM 1331 CA ILE A 172 38.897 44.710 17.030 1.00 0.00 ATOM 1332 CB ILE A 172 37.895 43.540 16.768 1.00 0.00 ATOM 1333 CG1 ILE A 172 36.893 43.890 15.662 1.00 0.00 ATOM 1334 CG2 ILE A 172 37.172 43.118 18.062 1.00 0.00 ATOM 1335 CD1 ILE A 172 35.997 42.696 15.297 1.00 0.00 ATOM 1336 O ILE A 172 39.328 45.862 14.985 1.00 0.00 ATOM 1337 C ILE A 172 39.709 45.004 15.777 1.00 0.00 ATOM 1338 N PRO A 173 40.834 44.312 15.599 1.00 0.00 ATOM 1339 CA PRO A 173 41.570 44.358 14.314 1.00 0.00 ATOM 1340 CB PRO A 173 42.743 43.402 14.547 1.00 0.00 ATOM 1341 CG PRO A 173 42.276 42.486 15.658 1.00 0.00 ATOM 1342 CD PRO A 173 41.479 43.404 16.573 1.00 0.00 ATOM 1343 O PRO A 173 40.776 44.348 12.037 1.00 0.00 ATOM 1344 C PRO A 173 40.703 43.836 13.160 1.00 0.00 ENDMDL EXPDTA 2gw2A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2gw2A ATOM 1 N ARG A 1 33.379 40.559 11.365 1.00 0.00 ATOM 2 CA ARG A 1 32.600 41.837 11.445 1.00 0.00 ATOM 3 CB ARG A 1 31.191 41.617 12.027 1.00 0.00 ATOM 4 CG ARG A 1 30.171 41.082 11.048 1.00 0.00 ATOM 5 CD ARG A 1 28.749 41.078 11.649 1.00 0.00 ATOM 6 NE ARG A 1 27.834 40.417 10.733 1.00 0.00 ATOM 7 CZ ARG A 1 26.663 39.862 11.064 1.00 0.00 ATOM 8 NH1 ARG A 1 26.227 39.864 12.316 1.00 0.00 ATOM 9 NH2 ARG A 1 25.942 39.263 10.127 1.00 0.00 ATOM 10 O ARG A 1 33.661 42.666 13.432 1.00 0.00 ATOM 11 C ARG A 1 33.328 42.902 12.292 1.00 0.00 ATOM 12 N PRO A 2 33.490 44.113 11.751 1.00 0.00 ATOM 13 CA PRO A 2 34.097 45.215 12.541 1.00 0.00 ATOM 14 CB PRO A 2 34.144 46.389 11.546 1.00 0.00 ATOM 15 CG PRO A 2 33.949 45.784 10.182 1.00 0.00 ATOM 16 CD PRO A 2 33.195 44.509 10.360 1.00 0.00 ATOM 17 O PRO A 2 32.064 45.700 13.724 1.00 0.00 ATOM 18 C PRO A 2 33.305 45.641 13.784 1.00 0.00 ATOM 19 N ARG A 3 34.016 45.965 14.866 1.00 0.00 ATOM 20 CA ARG A 3 33.430 46.688 16.008 1.00 0.00 ATOM 21 CB ARG A 3 33.590 45.902 17.292 1.00 0.00 ATOM 22 CG ARG A 3 32.660 44.740 17.389 1.00 0.00 ATOM 23 CD ARG A 3 33.004 43.893 18.570 1.00 0.00 ATOM 24 NE ARG A 3 32.118 42.729 18.647 1.00 0.00 ATOM 25 CZ ARG A 3 31.918 42.015 19.755 1.00 0.00 ATOM 26 NH1 ARG A 3 32.526 42.346 20.897 1.00 0.00 ATOM 27 NH2 ARG A 3 31.097 40.973 19.731 1.00 0.00 ATOM 28 O ARG A 3 35.203 48.268 16.298 1.00 0.00 ATOM 29 C ARG A 3 33.998 48.085 16.220 1.00 0.00 ATOM 30 N CYS A 4 33.097 49.051 16.363 1.00 0.00 ATOM 31 CA CYS A 4 33.443 50.442 16.611 1.00 0.00 ATOM 32 CB CYS A 4 33.009 51.294 15.435 1.00 0.00 ATOM 33 SG CYS A 4 33.944 50.916 13.995 1.00 0.00 ATOM 34 O CYS A 4 31.887 50.373 18.436 1.00 0.00 ATOM 35 C CYS A 4 32.835 50.964 17.899 1.00 0.00 ATOM 36 N PHE A 5 33.387 52.064 18.393 1.00 0.00 ATOM 37 CA PHE A 5 32.933 52.640 19.637 1.00 0.00 ATOM 38 CB PHE A 5 33.820 52.214 20.839 1.00 0.00 ATOM 39 CG PHE A 5 35.161 52.893 20.883 1.00 0.00 ATOM 40 CD1 PHE A 5 35.323 54.119 21.520 1.00 0.00 ATOM 41 CD2 PHE A 5 36.281 52.306 20.285 1.00 0.00 ATOM 42 CE1 PHE A 5 36.555 54.736 21.543 1.00 0.00 ATOM 43 CE2 PHE A 5 37.525 52.942 20.323 1.00 0.00 ATOM 44 CZ PHE A 5 37.655 54.149 20.943 1.00 0.00 ATOM 45 O PHE A 5 33.480 54.843 18.770 1.00 0.00 ATOM 46 C PHE A 5 32.783 54.167 19.548 1.00 0.00 ATOM 47 N PHE A 6 31.813 54.646 20.333 1.00 0.00 ATOM 48 CA PHE A 6 31.658 56.054 20.760 1.00 0.00 ATOM 49 CB PHE A 6 30.269 56.587 20.423 1.00 0.00 ATOM 50 CG PHE A 6 29.989 56.737 18.953 1.00 0.00 ATOM 51 CD1 PHE A 6 30.997 56.671 17.985 1.00 0.00 ATOM 52 CD2 PHE A 6 28.690 56.952 18.533 1.00 0.00 ATOM 53 CE1 PHE A 6 30.681 56.827 16.642 1.00 0.00 ATOM 54 CE2 PHE A 6 28.401 57.122 17.212 1.00 0.00 ATOM 55 CZ PHE A 6 29.368 57.039 16.269 1.00 0.00 ATOM 56 O PHE A 6 31.092 55.377 23.006 1.00 0.00 ATOM 57 C PHE A 6 31.751 56.137 22.302 1.00 0.00 ATOM 58 N ASP A 7 32.553 57.070 22.794 1.00 0.00 ATOM 59 CA ASP A 7 32.509 57.533 24.190 1.00 0.00 ATOM 60 CB ASP A 7 33.903 57.740 24.771 1.00 0.00 ATOM 61 CG ASP A 7 34.690 56.429 24.928 1.00 0.00 ATOM 62 OD1 ASP A 7 34.157 55.449 25.435 1.00 0.00 ATOM 63 OD2 ASP A 7 35.857 56.392 24.539 1.00 0.00 ATOM 64 O ASP A 7 32.185 59.833 23.567 1.00 0.00 ATOM 65 C ASP A 7 31.741 58.848 24.164 1.00 0.00 ATOM 66 N ILE A 8 30.562 58.815 24.783 1.00 0.00 ATOM 67 CA ILE A 8 29.623 59.910 24.821 1.00 0.00 ATOM 68 CB ILE A 8 28.163 59.390 24.753 1.00 0.00 ATOM 69 CG1 ILE A 8 27.910 58.557 23.462 1.00 0.00 ATOM 70 CG2 ILE A 8 27.191 60.572 24.962 1.00 0.00 ATOM 71 CD1 ILE A 8 28.202 59.311 22.169 1.00 0.00 ATOM 72 O ILE A 8 29.631 60.270 27.217 1.00 0.00 ATOM 73 C ILE A 8 29.712 60.781 26.088 1.00 0.00 ATOM 74 N ALA A 9 29.807 62.096 25.884 1.00 0.00 ATOM 75 CA ALA A 9 29.564 63.080 26.947 1.00 0.00 ATOM 76 CB ALA A 9 30.755 64.053 27.074 1.00 0.00 ATOM 77 O ALA A 9 27.863 64.181 25.592 1.00 0.00 ATOM 78 C ALA A 9 28.276 63.873 26.738 1.00 0.00 ATOM 79 N ILE A 10 27.654 64.236 27.845 1.00 0.00 ATOM 80 CA ILE A 10 26.428 65.057 27.814 1.00 0.00 ATOM 81 CB ILE A 10 25.187 64.292 28.271 1.00 0.00 ATOM 82 CG1 ILE A 10 24.918 63.059 27.365 1.00 0.00 ATOM 83 CG2 ILE A 10 23.908 65.240 28.289 1.00 0.00 ATOM 84 CD1 ILE A 10 23.755 62.222 27.806 1.00 0.00 ATOM 85 O ILE A 10 26.848 66.215 29.908 1.00 0.00 ATOM 86 C ILE A 10 26.693 66.298 28.667 1.00 0.00 ATOM 87 N ASN A 11 26.763 67.446 27.983 1.00 0.00 ATOM 88 CA ASN A 11 27.213 68.688 28.571 1.00 0.00 ATOM 89 CB ASN A 11 26.147 69.265 29.521 1.00 0.00 ATOM 90 CG ASN A 11 25.203 70.189 28.839 1.00 0.00 ATOM 91 ND2 ASN A 11 24.082 70.494 29.509 1.00 0.00 ATOM 92 OD1 ASN A 11 25.468 70.656 27.730 1.00 0.00 ATOM 93 O ASN A 11 28.741 68.842 30.459 1.00 0.00 ATOM 94 C ASN A 11 28.548 68.469 29.281 1.00 0.00 ATOM 95 N ASN A 12 29.420 67.764 28.566 1.00 0.00 ATOM 96 CA ASN A 12 30.811 67.562 28.947 1.00 0.00 ATOM 97 CB ASN A 12 31.458 68.889 29.299 1.00 0.00 ATOM 98 CG ASN A 12 32.865 69.011 28.769 1.00 0.00 ATOM 99 ND2 ASN A 12 33.417 70.221 28.847 1.00 0.00 ATOM 100 OD1 ASN A 12 33.447 68.040 28.271 1.00 0.00 ATOM 101 O ASN A 12 32.212 66.430 30.545 1.00 0.00 ATOM 102 C ASN A 12 31.067 66.572 30.089 1.00 0.00 ATOM 103 N GLN A 13 30.002 65.905 30.538 1.00 0.00 ATOM 104 CA GLN A 13 30.074 64.854 31.532 1.00 0.00 ATOM 105 CB GLN A 13 28.904 64.983 32.467 1.00 0.00 ATOM 106 CG GLN A 13 28.854 63.949 33.549 1.00 0.00 ATOM 107 CD GLN A 13 27.810 64.265 34.584 1.00 0.00 ATOM 108 OE1 GLN A 13 26.683 64.614 34.254 1.00 0.00 ATOM 109 NE2 GLN A 13 28.197 64.159 35.869 1.00 0.00 ATOM 110 O GLN A 13 29.021 63.195 30.158 1.00 0.00 ATOM 111 C GLN A 13 29.978 63.469 30.843 1.00 0.00 ATOM 112 N PRO A 14 30.954 62.591 31.068 1.00 0.00 ATOM 113 CA PRO A 14 30.880 61.252 30.459 1.00 0.00 ATOM 114 CB PRO A 14 32.153 60.559 30.977 1.00 0.00 ATOM 115 CG PRO A 14 33.109 61.697 31.183 1.00 0.00 ATOM 116 CD PRO A 14 32.215 62.782 31.800 1.00 0.00 ATOM 117 O PRO A 14 29.241 60.401 31.993 1.00 0.00 ATOM 118 C PRO A 14 29.589 60.503 30.815 1.00 0.00 ATOM 119 N ALA A 15 28.857 60.046 29.787 1.00 0.00 ATOM 120 CA ALA A 15 27.655 59.204 29.954 1.00 0.00 ATOM 121 CB ALA A 15 26.546 59.605 28.956 1.00 0.00 ATOM 122 O ALA A 15 27.229 56.861 30.209 1.00 0.00 ATOM 123 C ALA A 15 27.992 57.732 29.779 1.00 0.00 ATOM 124 N GLY A 16 29.114 57.463 29.125 1.00 0.00 ATOM 125 CA GLY A 16 29.599 56.105 28.867 1.00 0.00 ATOM 126 O GLY A 16 29.598 56.668 26.521 1.00 0.00 ATOM 127 C GLY A 16 29.795 55.804 27.384 1.00 0.00 ATOM 128 N ARG A 17 30.154 54.542 27.113 1.00 0.00 ATOM 129 CA ARG A 17 30.528 54.043 25.800 1.00 0.00 ATOM 130 CB ARG A 17 31.789 53.161 25.892 1.00 0.00 ATOM 131 CG ARG A 17 32.209 52.536 24.571 1.00 0.00 ATOM 132 CD ARG A 17 33.575 51.835 24.629 1.00 0.00 ATOM 133 NE ARG A 17 34.651 52.776 24.841 1.00 0.00 ATOM 134 CZ ARG A 17 35.948 52.518 24.659 1.00 0.00 ATOM 135 NH1 ARG A 17 36.367 51.327 24.237 1.00 0.00 ATOM 136 NH2 ARG A 17 36.838 53.481 24.891 1.00 0.00 ATOM 137 O ARG A 17 28.862 52.295 25.656 1.00 0.00 ATOM 138 C ARG A 17 29.425 53.227 25.096 1.00 0.00 ATOM 139 N VAL A 18 29.192 53.578 23.842 1.00 0.00 ATOM 140 CA VAL A 18 28.371 52.795 22.930 1.00 0.00 ATOM 141 CB VAL A 18 27.384 53.722 22.178 1.00 0.00 ATOM 142 CG1 VAL A 18 26.567 52.911 21.140 1.00 0.00 ATOM 143 CG2 VAL A 18 26.474 54.509 23.171 1.00 0.00 ATOM 144 O VAL A 18 30.140 52.602 21.270 1.00 0.00 ATOM 145 C VAL A 18 29.281 52.017 21.941 1.00 0.00 ATOM 146 N VAL A 19 29.098 50.703 21.879 1.00 0.00 ATOM 147 CA VAL A 19 29.844 49.820 20.993 1.00 0.00 ATOM 148 CB VAL A 19 30.552 48.652 21.730 1.00 0.00 ATOM 149 CG1 VAL A 19 31.383 47.768 20.722 1.00 0.00 ATOM 150 CG2 VAL A 19 31.488 49.200 22.804 1.00 0.00 ATOM 151 O VAL A 19 27.819 48.751 20.294 1.00 0.00 ATOM 152 C VAL A 19 28.891 49.260 19.944 1.00 0.00 ATOM 153 N PHE A 20 29.312 49.339 18.679 1.00 0.00 ATOM 154 CA PHE A 20 28.549 48.832 17.520 1.00 0.00 ATOM 155 CB PHE A 20 28.370 49.900 16.431 1.00 0.00 ATOM 156 CG PHE A 20 27.829 51.202 16.924 1.00 0.00 ATOM 157 CD1 PHE A 20 26.470 51.378 17.086 1.00 0.00 ATOM 158 CD2 PHE A 20 28.686 52.263 17.195 1.00 0.00 ATOM 159 CE1 PHE A 20 25.979 52.643 17.516 1.00 0.00 ATOM 160 CE2 PHE A 20 28.207 53.478 17.660 1.00 0.00 ATOM 161 CZ PHE A 20 26.873 53.673 17.787 1.00 0.00 ATOM 162 O PHE A 20 30.482 47.602 16.760 1.00 0.00 ATOM 163 C PHE A 20 29.260 47.657 16.843 1.00 0.00 ATOM 164 N GLU A 21 28.461 46.740 16.338 1.00 0.00 ATOM 165 CA GLU A 21 28.939 45.719 15.426 1.00 0.00 ATOM 166 CB GLU A 21 28.366 44.347 15.772 1.00 0.00 ATOM 167 CG GLU A 21 28.785 43.217 14.818 1.00 0.00 ATOM 168 CD GLU A 21 28.476 41.833 15.391 1.00 0.00 ATOM 169 OE1 GLU A 21 29.034 41.489 16.466 1.00 0.00 ATOM 170 OE2 GLU A 21 27.678 41.102 14.766 1.00 0.00 ATOM 171 O GLU A 21 27.323 46.579 13.869 1.00 0.00 ATOM 172 C GLU A 21 28.477 46.175 14.048 1.00 0.00 ATOM 173 N LEU A 22 29.377 46.087 13.085 1.00 0.00 ATOM 174 CA LEU A 22 29.075 46.453 11.711 1.00 0.00 ATOM 175 CB LEU A 22 30.164 47.387 11.197 1.00 0.00 ATOM 176 CG LEU A 22 30.418 48.628 12.062 1.00 0.00 ATOM 177 CD1 LEU A 22 31.439 49.505 11.327 1.00 0.00 ATOM 178 CD2 LEU A 22 29.119 49.413 12.374 1.00 0.00 ATOM 179 O LEU A 22 29.690 44.274 10.826 1.00 0.00 ATOM 180 C LEU A 22 28.881 45.228 10.806 1.00 0.00 ATOM 181 N PHE A 23 27.754 45.231 10.080 1.00 0.00 ATOM 182 CA PHE A 23 27.319 44.102 9.222 1.00 0.00 ATOM 183 CB PHE A 23 25.783 44.093 8.965 1.00 0.00 ATOM 184 CG PHE A 23 24.923 44.117 10.217 1.00 0.00 ATOM 185 CD1 PHE A 23 25.275 43.387 11.361 1.00 0.00 ATOM 186 CD2 PHE A 23 23.728 44.848 10.241 1.00 0.00 ATOM 187 CE1 PHE A 23 24.507 43.406 12.516 1.00 0.00 ATOM 188 CE2 PHE A 23 22.921 44.885 11.394 1.00 0.00 ATOM 189 CZ PHE A 23 23.293 44.124 12.547 1.00 0.00 ATOM 190 O PHE A 23 27.508 44.318 6.807 1.00 0.00 ATOM 191 C PHE A 23 28.088 44.161 7.881 1.00 0.00 ATOM 192 N SER A 24 29.407 44.040 7.956 1.00 0.00 ATOM 193 CA SER A 24 30.255 44.215 6.790 1.00 0.00 ATOM 194 CB SER A 24 31.738 44.270 7.210 1.00 0.00 ATOM 195 OG SER A 24 32.117 43.095 7.938 1.00 0.00 ATOM 196 O SER A 24 30.315 43.285 4.586 1.00 0.00 ATOM 197 C SER A 24 30.016 43.112 5.760 1.00 0.00 ATOM 198 N ASP A 25 29.450 41.990 6.193 1.00 0.00 ATOM 199 CA ASP A 25 29.041 40.919 5.263 1.00 0.00 ATOM 200 CB ASP A 25 28.835 39.564 5.996 1.00 0.00 ATOM 201 CG ASP A 25 27.838 39.653 7.166 1.00 0.00 ATOM 202 OD1 ASP A 25 27.906 40.642 7.929 1.00 0.00 ATOM 203 OD2 ASP A 25 26.991 38.734 7.315 1.00 0.00 ATOM 204 O ASP A 25 27.495 40.668 3.477 1.00 0.00 ATOM 205 C ASP A 25 27.794 41.308 4.460 1.00 0.00 ATOM 206 N VAL A 26 27.080 42.359 4.888 1.00 0.00 ATOM 207 CA VAL A 26 25.809 42.758 4.258 1.00 0.00 ATOM 208 CB VAL A 26 24.685 42.943 5.309 1.00 0.00 ATOM 209 CG1 VAL A 26 23.396 43.523 4.662 1.00 0.00 ATOM 210 CG2 VAL A 26 24.393 41.613 6.024 1.00 0.00 ATOM 211 O VAL A 26 25.384 44.096 2.292 1.00 0.00 ATOM 212 C VAL A 26 25.943 44.026 3.409 1.00 0.00 ATOM 213 N CYS A 27 26.651 45.023 3.949 1.00 0.00 ATOM 214 CA CYS A 27 26.852 46.332 3.314 1.00 0.00 ATOM 215 CB CYS A 27 25.955 47.405 3.964 1.00 0.00 ATOM 216 SG CYS A 27 24.317 46.929 4.481 1.00 0.00 ATOM 217 O CYS A 27 28.528 47.727 4.242 1.00 0.00 ATOM 218 C CYS A 27 28.288 46.785 3.494 1.00 0.00 ATOM 219 N PRO A 28 29.238 46.128 2.849 1.00 0.00 ATOM 220 CA PRO A 28 30.632 46.435 3.150 1.00 0.00 ATOM 221 CB PRO A 28 31.411 45.457 2.251 1.00 0.00 ATOM 222 CG PRO A 28 30.457 45.122 1.140 1.00 0.00 ATOM 223 CD PRO A 28 29.116 45.055 1.836 1.00 0.00 ATOM 224 O PRO A 28 31.837 48.384 3.701 1.00 0.00 ATOM 225 C PRO A 28 31.066 47.880 2.917 1.00 0.00 ATOM 226 N LYS A 29 30.524 48.551 1.896 1.00 0.00 ATOM 227 CA LYS A 29 30.955 49.899 1.538 1.00 0.00 ATOM 228 CB LYS A 29 30.486 50.277 0.105 1.00 0.00 ATOM 229 CG LYS A 29 31.204 51.513 -0.461 1.00 0.00 ATOM 230 CD LYS A 29 30.949 51.831 -1.932 1.00 0.00 ATOM 231 CE LYS A 29 31.682 53.129 -2.305 1.00 0.00 ATOM 232 NZ LYS A 29 31.867 53.400 -3.795 1.00 0.00 ATOM 233 O LYS A 29 31.241 51.782 3.025 1.00 0.00 ATOM 234 C LYS A 29 30.472 50.904 2.596 1.00 0.00 ATOM 235 N THR A 30 29.210 50.722 3.026 1.00 0.00 ATOM 236 CA THR A 30 28.586 51.464 4.112 1.00 0.00 ATOM 237 CB THR A 30 27.102 51.025 4.274 1.00 0.00 ATOM 238 CG2 THR A 30 26.357 51.978 5.284 1.00 0.00 ATOM 239 OG1 THR A 30 26.454 51.086 2.994 1.00 0.00 ATOM 240 O THR A 30 29.643 52.285 6.116 1.00 0.00 ATOM 241 C THR A 30 29.339 51.303 5.442 1.00 0.00 ATOM 242 N CYS A 31 29.704 50.061 5.748 1.00 0.00 ATOM 243 CA CYS A 31 30.448 49.719 6.944 1.00 0.00 ATOM 244 CB CYS A 31 30.481 48.177 7.136 1.00 0.00 ATOM 245 SG CYS A 31 28.856 47.531 7.685 1.00 0.00 ATOM 246 O CYS A 31 32.299 50.874 7.924 1.00 0.00 ATOM 247 C CYS A 31 31.841 50.336 6.911 1.00 0.00 ATOM 248 N GLU A 32 32.491 50.322 5.752 1.00 0.00 ATOM 249 CA GLU A 32 33.879 50.842 5.665 1.00 0.00 ATOM 250 CB GLU A 32 34.506 50.495 4.314 1.00 0.00 ATOM 251 CG GLU A 32 35.876 51.030 4.156 1.00 0.00 ATOM 252 CD GLU A 32 36.890 50.409 5.116 1.00 0.00 ATOM 253 OE1 GLU A 32 36.573 49.425 5.853 1.00 0.00 ATOM 254 OE2 GLU A 32 38.036 50.894 5.104 1.00 0.00 ATOM 255 O GLU A 32 34.780 52.815 6.645 1.00 0.00 ATOM 256 C GLU A 32 33.920 52.333 5.930 1.00 0.00 ATOM 257 N ASN A 33 32.921 53.046 5.402 1.00 0.00 ATOM 258 CA ASN A 33 32.747 54.451 5.605 1.00 0.00 ATOM 259 CB ASN A 33 31.476 54.924 4.841 1.00 0.00 ATOM 260 CG ASN A 33 31.223 56.407 4.999 1.00 0.00 ATOM 261 ND2 ASN A 33 30.027 56.777 5.519 1.00 0.00 ATOM 262 OD1 ASN A 33 32.090 57.217 4.683 1.00 0.00 ATOM 263 O ASN A 33 33.465 55.607 7.620 1.00 0.00 ATOM 264 C ASN A 33 32.667 54.779 7.111 1.00 0.00 ATOM 265 N PHE A 34 31.703 54.145 7.792 1.00 0.00 ATOM 266 CA PHE A 34 31.462 54.345 9.219 1.00 0.00 ATOM 267 CB PHE A 34 30.254 53.561 9.711 1.00 0.00 ATOM 268 CG PHE A 34 29.825 53.892 11.139 1.00 0.00 ATOM 269 CD1 PHE A 34 28.936 54.966 11.393 1.00 0.00 ATOM 270 CD2 PHE A 34 30.241 53.102 12.223 1.00 0.00 ATOM 271 CE1 PHE A 34 28.518 55.230 12.630 1.00 0.00 ATOM 272 CE2 PHE A 34 29.837 53.393 13.480 1.00 0.00 ATOM 273 CZ PHE A 34 28.935 54.451 13.694 1.00 0.00 ATOM 274 O PHE A 34 33.143 54.708 10.886 1.00 0.00 ATOM 275 C PHE A 34 32.701 53.958 10.018 1.00 0.00 ATOM 276 N ARG A 35 33.290 52.822 9.685 1.00 0.00 ATOM 277 CA ARG A 35 34.518 52.406 10.349 1.00 0.00 ATOM 278 CB ARG A 35 35.075 51.109 9.749 1.00 0.00 ATOM 279 CG ARG A 35 36.255 50.512 10.516 1.00 0.00 ATOM 280 CD ARG A 35 36.874 49.335 9.745 1.00 0.00 ATOM 281 NE ARG A 35 37.618 49.839 8.604 1.00 0.00 ATOM 282 CZ ARG A 35 38.809 50.430 8.697 1.00 0.00 ATOM 283 NH1 ARG A 35 39.419 50.591 9.877 1.00 0.00 ATOM 284 NH2 ARG A 35 39.389 50.886 7.611 1.00 0.00 ATOM 285 O ARG A 35 36.076 53.930 11.379 1.00 0.00 ATOM 286 C ARG A 35 35.571 53.525 10.316 1.00 0.00 ATOM 287 N CYS A 36 35.848 54.049 9.115 1.00 0.00 ATOM 288 CA CYS A 36 36.908 55.019 8.901 1.00 0.00 ATOM 289 CB CYS A 36 37.153 55.184 7.422 1.00 0.00 ATOM 290 SG CYS A 36 37.940 53.865 6.666 1.00 0.00 ATOM 291 O CYS A 36 37.491 57.114 9.903 1.00 0.00 ATOM 292 C CYS A 36 36.593 56.383 9.506 1.00 0.00 ATOM 293 N LEU A 37 35.309 56.733 9.550 1.00 0.00 ATOM 294 CA LEU A 37 34.874 57.949 10.238 1.00 0.00 ATOM 295 CB LEU A 37 33.383 58.241 9.929 1.00 0.00 ATOM 296 CG LEU A 37 33.105 58.707 8.464 1.00 0.00 ATOM 297 CD1 LEU A 37 31.597 58.597 8.068 1.00 0.00 ATOM 298 CD2 LEU A 37 33.613 60.087 8.222 1.00 0.00 ATOM 299 O LEU A 37 35.305 58.900 12.414 1.00 0.00 ATOM 300 C LEU A 37 35.118 57.867 11.752 1.00 0.00 ATOM 301 N CYS A 38 35.110 56.648 12.288 1.00 0.00 ATOM 302 CA CYS A 38 35.335 56.417 13.727 1.00 0.00 ATOM 303 CB CYS A 38 34.797 55.054 14.175 1.00 0.00 ATOM 304 SG CYS A 38 32.994 54.897 14.225 1.00 0.00 ATOM 305 O CYS A 38 37.203 57.055 15.114 1.00 0.00 ATOM 306 C CYS A 38 36.816 56.512 14.057 1.00 0.00 ATOM 307 N THR A 39 37.640 56.007 13.139 1.00 0.00 ATOM 308 CA THR A 39 39.077 56.053 13.312 1.00 0.00 ATOM 309 CB THR A 39 39.786 54.873 12.576 1.00 0.00 ATOM 310 CG2 THR A 39 39.101 53.525 12.871 1.00 0.00 ATOM 311 OG1 THR A 39 39.845 55.128 11.159 1.00 0.00 ATOM 312 O THR A 39 40.715 57.777 13.357 1.00 0.00 ATOM 313 C THR A 39 39.670 57.374 12.854 1.00 0.00 ATOM 314 N GLY A 40 39.010 58.029 11.891 1.00 0.00 ATOM 315 CA GLY A 40 39.509 59.235 11.234 1.00 0.00 ATOM 316 O GLY A 40 41.320 59.907 9.814 1.00 0.00 ATOM 317 C GLY A 40 40.635 58.975 10.229 1.00 0.00 ATOM 318 N GLU A 41 40.830 57.712 9.837 1.00 0.00 ATOM 319 CA GLU A 41 42.031 57.297 9.075 1.00 0.00 ATOM 320 CB GLU A 41 42.174 55.785 9.089 1.00 0.00 ATOM 321 CG GLU A 41 41.101 55.026 8.382 1.00 0.00 ATOM 322 CD GLU A 41 41.242 53.552 8.654 1.00 0.00 ATOM 323 OE1 GLU A 41 40.996 53.116 9.808 1.00 0.00 ATOM 324 OE2 GLU A 41 41.647 52.838 7.718 1.00 0.00 ATOM 325 O GLU A 41 43.249 57.843 7.049 1.00 0.00 ATOM 326 C GLU A 41 42.138 57.805 7.620 1.00 0.00 ATOM 327 N LYS A 42 41.005 58.195 7.040 1.00 0.00 ATOM 328 CA LYS A 42 40.958 58.685 5.653 1.00 0.00 ATOM 329 CB LYS A 42 39.601 58.301 4.999 1.00 0.00 ATOM 330 CG LYS A 42 39.364 56.814 4.854 1.00 0.00 ATOM 331 CD LYS A 42 40.351 56.153 3.908 1.00 0.00 ATOM 332 CE LYS A 42 39.886 54.800 3.430 1.00 0.00 ATOM 333 NZ LYS A 42 40.980 53.897 2.907 1.00 0.00 ATOM 334 O LYS A 42 41.335 60.767 4.416 1.00 0.00 ATOM 335 C LYS A 42 41.259 60.211 5.524 1.00 0.00 ATOM 336 N GLY A 43 41.455 60.884 6.649 1.00 0.00 ATOM 337 CA GLY A 43 41.916 62.267 6.616 1.00 0.00 ATOM 338 O GLY A 43 39.905 63.439 7.112 1.00 0.00 ATOM 339 C GLY A 43 40.854 63.325 6.349 1.00 0.00 ATOM 340 N THR A 44 41.047 64.130 5.295 1.00 0.00 ATOM 341 CA THR A 44 40.231 65.341 5.085 1.00 0.00 ATOM 342 CB THR A 44 41.070 66.527 4.584 1.00 0.00 ATOM 343 CG2 THR A 44 40.181 67.763 4.407 1.00 0.00 ATOM 344 OG1 THR A 44 42.102 66.810 5.534 1.00 0.00 ATOM 345 O THR A 44 39.292 64.575 3.020 1.00 0.00 ATOM 346 C THR A 44 39.095 65.133 4.095 1.00 0.00 ATOM 347 N GLY A 45 37.917 65.616 4.462 1.00 0.00 ATOM 348 CA GLY A 45 36.740 65.533 3.615 1.00 0.00 ATOM 349 O GLY A 45 37.742 67.316 2.328 1.00 0.00 ATOM 350 C GLY A 45 37.023 66.290 2.327 1.00 0.00 ATOM 351 N LYS A 46 36.520 65.765 1.222 1.00 0.00 ATOM 352 CA LYS A 46 36.882 66.339 -0.058 1.00 0.00 ATOM 353 CB LYS A 46 36.723 65.346 -1.209 1.00 0.00 ATOM 354 CG LYS A 46 37.355 65.848 -2.483 1.00 0.00 ATOM 355 CD LYS A 46 38.841 66.230 -2.314 1.00 0.00 ATOM 356 CE LYS A 46 39.263 67.257 -3.333 1.00 0.00 ATOM 357 NZ LYS A 46 39.226 66.687 -4.695 1.00 0.00 ATOM 358 O LYS A 46 36.811 68.627 -0.642 1.00 0.00 ATOM 359 C LYS A 46 36.153 67.646 -0.323 1.00 0.00 ATOM 360 N SER A 47 34.824 67.669 -0.174 1.00 0.00 ATOM 361 CA SER A 47 34.037 68.890 -0.343 1.00 0.00 ATOM 362 CB SER A 47 32.589 68.570 -0.758 1.00 0.00 ATOM 363 OG SER A 47 31.866 67.816 0.217 1.00 0.00 ATOM 364 O SER A 47 34.033 70.979 0.828 1.00 0.00 ATOM 365 C SER A 47 34.054 69.755 0.918 1.00 0.00 ATOM 366 N THR A 48 34.083 69.109 2.083 1.00 0.00 ATOM 367 CA THR A 48 33.916 69.778 3.368 1.00 0.00 ATOM 368 CB THR A 48 33.429 68.782 4.477 1.00 0.00 ATOM 369 CG2 THR A 48 32.003 68.226 4.142 1.00 0.00 ATOM 370 OG1 THR A 48 34.367 67.688 4.601 1.00 0.00 ATOM 371 O THR A 48 35.180 71.473 4.489 1.00 0.00 ATOM 372 C THR A 48 35.219 70.444 3.819 1.00 0.00 ATOM 373 N GLN A 49 36.355 69.847 3.445 1.00 0.00 ATOM 374 CA GLN A 49 37.683 70.277 3.894 1.00 0.00 ATOM 375 CB GLN A 49 38.044 71.665 3.307 1.00 0.00 ATOM 376 CG GLN A 49 38.358 71.611 1.797 1.00 0.00 ATOM 377 CD GLN A 49 39.398 70.537 1.465 1.00 0.00 ATOM 378 OE1 GLN A 49 40.581 70.663 1.798 1.00 0.00 ATOM 379 NE2 GLN A 49 38.954 69.467 0.814 1.00 0.00 ATOM 380 O GLN A 49 38.514 71.014 6.053 1.00 0.00 ATOM 381 C GLN A 49 37.839 70.204 5.430 1.00 0.00 ATOM 382 N LYS A 50 37.182 69.208 6.013 1.00 0.00 ATOM 383 CA LYS A 50 37.227 68.953 7.434 1.00 0.00 ATOM 384 CB LYS A 50 35.926 69.388 8.105 1.00 0.00 ATOM 385 CG LYS A 50 35.869 70.898 8.333 1.00 0.00 ATOM 386 CD LYS A 50 34.439 71.402 8.331 1.00 0.00 ATOM 387 CE LYS A 50 34.389 72.938 8.471 1.00 0.00 ATOM 388 NZ LYS A 50 35.154 73.430 9.653 1.00 0.00 ATOM 389 O LYS A 50 37.108 66.652 6.763 1.00 0.00 ATOM 390 C LYS A 50 37.462 67.474 7.648 1.00 0.00 ATOM 391 N PRO A 51 38.044 67.127 8.816 1.00 0.00 ATOM 392 CA PRO A 51 38.375 65.747 9.096 1.00 0.00 ATOM 393 CB PRO A 51 38.771 65.777 10.569 1.00 0.00 ATOM 394 CG PRO A 51 39.242 67.120 10.805 1.00 0.00 ATOM 395 CD PRO A 51 38.421 67.996 9.951 1.00 0.00 ATOM 396 O PRO A 51 36.059 65.155 9.375 1.00 0.00 ATOM 397 C PRO A 51 37.170 64.843 8.906 1.00 0.00 ATOM 398 N LEU A 52 37.409 63.740 8.211 1.00 0.00 ATOM 399 CA LEU A 52 36.467 62.648 8.110 1.00 0.00 ATOM 400 CB LEU A 52 36.831 61.769 6.904 1.00 0.00 ATOM 401 CG LEU A 52 36.710 62.413 5.521 1.00 0.00 ATOM 402 CD1 LEU A 52 37.610 61.668 4.476 1.00 0.00 ATOM 403 CD2 LEU A 52 35.245 62.529 5.108 1.00 0.00 ATOM 404 O LEU A 52 37.084 60.753 9.467 1.00 0.00 ATOM 405 C LEU A 52 36.541 61.849 9.424 1.00 0.00 ATOM 406 N HIS A 53 35.946 62.399 10.490 1.00 0.00 ATOM 407 CA HIS A 53 36.134 61.879 11.850 1.00 0.00 ATOM 408 CB HIS A 53 37.483 62.385 12.423 1.00 0.00 ATOM 409 CG HIS A 53 38.049 61.560 13.545 1.00 0.00 ATOM 410 CD2 HIS A 53 37.760 60.310 13.987 1.00 0.00 ATOM 411 ND1 HIS A 53 39.057 62.032 14.362 1.00 0.00 ATOM 412 CE1 HIS A 53 39.355 61.112 15.263 1.00 0.00 ATOM 413 NE2 HIS A 53 38.602 60.044 15.036 1.00 0.00 ATOM 414 O HIS A 53 34.544 63.508 12.734 1.00 0.00 ATOM 415 C HIS A 53 34.939 62.318 12.715 1.00 0.00 ATOM 416 N TYR A 54 34.383 61.347 13.434 1.00 0.00 ATOM 417 CA TYR A 54 33.296 61.582 14.362 1.00 0.00 ATOM 418 CB TYR A 54 32.557 60.258 14.645 1.00 0.00 ATOM 419 CG TYR A 54 31.703 59.692 13.510 1.00 0.00 ATOM 420 CD1 TYR A 54 30.892 60.517 12.734 1.00 0.00 ATOM 421 CD2 TYR A 54 31.670 58.308 13.253 1.00 0.00 ATOM 422 CE1 TYR A 54 30.102 60.014 11.723 1.00 0.00 ATOM 423 CE2 TYR A 54 30.847 57.777 12.250 1.00 0.00 ATOM 424 CZ TYR A 54 30.065 58.634 11.495 1.00 0.00 ATOM 425 OH TYR A 54 29.240 58.205 10.496 1.00 0.00 ATOM 426 O TYR A 54 32.987 62.691 16.437 1.00 0.00 ATOM 427 C TYR A 54 33.776 62.213 15.678 1.00 0.00 ATOM 428 N LYS A 55 35.067 62.201 15.965 1.00 0.00 ATOM 429 CA LYS A 55 35.543 62.793 17.227 1.00 0.00 ATOM 430 CB LYS A 55 37.061 62.699 17.302 1.00 0.00 ATOM 431 CG LYS A 55 37.680 63.324 18.535 1.00 0.00 ATOM 432 CD LYS A 55 39.171 63.426 18.359 1.00 0.00 ATOM 433 CE LYS A 55 39.815 64.152 19.539 1.00 0.00 ATOM 434 NZ LYS A 55 39.701 63.327 20.780 1.00 0.00 ATOM 435 O LYS A 55 35.140 65.015 16.328 1.00 0.00 ATOM 436 C LYS A 55 35.062 64.264 17.312 1.00 0.00 ATOM 437 N SER A 56 34.481 64.606 18.461 1.00 0.00 ATOM 438 CA SER A 56 33.845 65.915 18.737 1.00 0.00 ATOM 439 CB SER A 56 34.840 67.052 18.512 1.00 0.00 ATOM 440 OG SER A 56 35.959 66.874 19.332 1.00 0.00 ATOM 441 O SER A 56 31.963 67.300 18.086 1.00 0.00 ATOM 442 C SER A 56 32.512 66.191 17.992 1.00 0.00 ATOM 443 N CYS A 57 32.016 65.207 17.237 1.00 0.00 ATOM 444 CA CYS A 57 30.718 65.307 16.567 1.00 0.00 ATOM 445 CB CYS A 57 30.577 64.180 15.524 1.00 0.00 ATOM 446 SG CYS A 57 29.347 64.472 14.250 1.00 0.00 ATOM 447 O CYS A 57 29.678 64.616 18.617 1.00 0.00 ATOM 448 C CYS A 57 29.557 65.231 17.555 1.00 0.00 ATOM 449 N LEU A 58 28.428 65.835 17.164 1.00 0.00 ATOM 450 CA LEU A 58 27.230 65.907 17.970 1.00 0.00 ATOM 451 CB LEU A 58 26.633 67.334 17.902 1.00 0.00 ATOM 452 CG LEU A 58 27.356 68.506 18.581 1.00 0.00 ATOM 453 CD1 LEU A 58 26.476 69.771 18.508 1.00 0.00 ATOM 454 CD2 LEU A 58 27.762 68.173 20.002 1.00 0.00 ATOM 455 O LEU A 58 26.089 64.633 16.292 1.00 0.00 ATOM 456 C LEU A 58 26.160 64.929 17.472 1.00 0.00 ATOM 457 N PHE A 59 25.382 64.398 18.400 1.00 0.00 ATOM 458 CA PHE A 59 24.037 63.883 18.108 1.00 0.00 ATOM 459 CB PHE A 59 23.582 62.894 19.184 1.00 0.00 ATOM 460 CG PHE A 59 24.270 61.545 19.082 1.00 0.00 ATOM 461 CD1 PHE A 59 23.585 60.434 18.619 1.00 0.00 ATOM 462 CD2 PHE A 59 25.632 61.408 19.411 1.00 0.00 ATOM 463 CE1 PHE A 59 24.204 59.184 18.515 1.00 0.00 ATOM 464 CE2 PHE A 59 26.274 60.173 19.307 1.00 0.00 ATOM 465 CZ PHE A 59 25.569 59.057 18.854 1.00 0.00 ATOM 466 O PHE A 59 22.766 65.675 19.054 1.00 0.00 ATOM 467 C PHE A 59 23.177 65.142 18.036 1.00 0.00 ATOM 468 N HIS A 60 23.024 65.677 16.827 1.00 0.00 ATOM 469 CA HIS A 60 22.288 66.943 16.594 1.00 0.00 ATOM 470 CB HIS A 60 22.767 67.638 15.303 1.00 0.00 ATOM 471 CG HIS A 60 22.444 66.868 14.063 1.00 0.00 ATOM 472 CD2 HIS A 60 21.394 66.949 13.204 1.00 0.00 ATOM 473 ND1 HIS A 60 23.229 65.830 13.616 1.00 0.00 ATOM 474 CE1 HIS A 60 22.694 65.319 12.520 1.00 0.00 ATOM 475 NE2 HIS A 60 21.581 65.982 12.248 1.00 0.00 ATOM 476 O HIS A 60 20.065 67.786 16.407 1.00 0.00 ATOM 477 C HIS A 60 20.782 66.777 16.482 1.00 0.00 ATOM 478 N ARG A 61 20.279 65.542 16.465 1.00 0.00 ATOM 479 CA ARG A 61 18.817 65.373 16.412 1.00 0.00 ATOM 480 CB ARG A 61 18.333 65.325 14.960 1.00 0.00 ATOM 481 CG ARG A 61 16.862 64.944 14.795 1.00 0.00 ATOM 482 CD ARG A 61 16.274 65.419 13.458 1.00 0.00 ATOM 483 NE ARG A 61 14.803 65.317 13.489 1.00 0.00 ATOM 484 CZ ARG A 61 13.938 66.340 13.463 1.00 0.00 ATOM 485 NH1 ARG A 61 14.345 67.608 13.347 1.00 0.00 ATOM 486 NH2 ARG A 61 12.632 66.085 13.540 1.00 0.00 ATOM 487 O ARG A 61 19.054 63.105 17.187 1.00 0.00 ATOM 488 C ARG A 61 18.401 64.151 17.234 1.00 0.00 ATOM 489 N VAL A 62 17.349 64.339 18.033 1.00 0.00 ATOM 490 CA VAL A 62 16.837 63.353 18.976 1.00 0.00 ATOM 491 CB VAL A 62 17.340 63.603 20.423 1.00 0.00 ATOM 492 CG1 VAL A 62 16.497 62.778 21.453 1.00 0.00 ATOM 493 CG2 VAL A 62 18.921 63.326 20.573 1.00 0.00 ATOM 494 O VAL A 62 14.713 64.473 19.175 1.00 0.00 ATOM 495 C VAL A 62 15.314 63.407 18.973 1.00 0.00 ATOM 496 N VAL A 63 14.695 62.263 18.733 1.00 0.00 ATOM 497 CA VAL A 63 13.227 62.165 18.717 1.00 0.00 ATOM 498 CB VAL A 63 12.687 62.069 17.278 1.00 0.00 ATOM 499 CG1 VAL A 63 11.184 61.838 17.289 1.00 0.00 ATOM 500 CG2 VAL A 63 13.055 63.307 16.486 1.00 0.00 ATOM 501 O VAL A 63 12.925 59.804 19.184 1.00 0.00 ATOM 502 C VAL A 63 12.797 60.955 19.586 1.00 0.00 ATOM 503 N LYS A 64 12.319 61.250 20.792 1.00 0.00 ATOM 504 CA LYS A 64 11.915 60.230 21.758 1.00 0.00 ATOM 505 CB LYS A 64 11.297 60.883 23.011 1.00 0.00 ATOM 506 CG LYS A 64 10.767 59.895 24.103 1.00 0.00 ATOM 507 CD LYS A 64 11.897 59.129 24.829 1.00 0.00 ATOM 508 CE LYS A 64 11.412 58.317 26.063 1.00 0.00 ATOM 509 NZ LYS A 64 10.205 57.602 25.715 1.00 0.00 ATOM 510 O LYS A 64 10.038 59.699 20.337 1.00 0.00 ATOM 511 C LYS A 64 10.929 59.270 21.088 1.00 0.00 ATOM 512 N ASP A 65 11.132 57.985 21.331 1.00 0.00 ATOM 513 CA ASP A 65 10.346 56.895 20.732 1.00 0.00 ATOM 514 CB ASP A 65 8.855 57.044 21.038 1.00 0.00 ATOM 515 CG ASP A 65 8.526 56.805 22.501 1.00 0.00 ATOM 516 OD1 ASP A 65 9.218 55.994 23.177 1.00 0.00 ATOM 517 OD2 ASP A 65 7.545 57.428 22.977 1.00 0.00 ATOM 518 O ASP A 65 9.850 55.990 18.562 1.00 0.00 ATOM 519 C ASP A 65 10.599 56.698 19.238 1.00 0.00 ATOM 520 N PHE A 66 11.702 57.244 18.719 1.00 0.00 ATOM 521 CA PHE A 66 12.000 57.075 17.291 1.00 0.00 ATOM 522 CB PHE A 66 11.473 58.308 16.539 1.00 0.00 ATOM 523 CG PHE A 66 11.688 58.299 15.068 1.00 0.00 ATOM 524 CD1 PHE A 66 11.585 57.126 14.311 1.00 0.00 ATOM 525 CD2 PHE A 66 11.939 59.497 14.397 1.00 0.00 ATOM 526 CE1 PHE A 66 11.771 57.153 12.905 1.00 0.00 ATOM 527 CE2 PHE A 66 12.120 59.520 13.004 1.00 0.00 ATOM 528 CZ PHE A 66 12.037 58.352 12.266 1.00 0.00 ATOM 529 O PHE A 66 13.818 55.631 16.679 1.00 0.00 ATOM 530 C PHE A 66 13.469 56.774 17.024 1.00 0.00 ATOM 531 N MET A 67 14.336 57.767 17.219 1.00 0.00 ATOM 532 CA MET A 67 15.769 57.589 16.945 1.00 0.00 ATOM 533 CB MET A 67 15.991 57.377 15.430 1.00 0.00 ATOM 534 CG MET A 67 15.601 58.604 14.533 1.00 0.00 ATOM 535 SD MET A 67 16.880 59.858 14.526 1.00 0.00 ATOM 536 CE MET A 67 16.004 61.382 14.097 1.00 0.00 ATOM 537 O MET A 67 16.107 59.826 17.847 1.00 0.00 ATOM 538 C MET A 67 16.627 58.765 17.456 1.00 0.00 ATOM 539 N VAL A 68 17.932 58.556 17.454 1.00 0.00 ATOM 540 CA VAL A 68 18.917 59.627 17.745 1.00 0.00 ATOM 541 CB VAL A 68 19.617 59.489 19.116 1.00 0.00 ATOM 542 CG1 VAL A 68 18.578 59.634 20.242 1.00 0.00 ATOM 543 CG2 VAL A 68 20.388 58.168 19.258 1.00 0.00 ATOM 544 O VAL A 68 20.375 58.611 16.066 1.00 0.00 ATOM 545 C VAL A 68 19.888 59.669 16.554 1.00 0.00 ATOM 546 N GLN A 69 20.124 60.889 16.075 1.00 0.00 ATOM 547 CA GLN A 69 20.875 61.115 14.859 1.00 0.00 ATOM 548 CB GLN A 69 20.000 61.769 13.829 1.00 0.00 ATOM 549 CG GLN A 69 20.669 62.059 12.521 1.00 0.00 ATOM 550 CD GLN A 69 19.758 62.798 11.552 1.00 0.00 ATOM 551 OE1 GLN A 69 18.523 62.729 11.659 1.00 0.00 ATOM 552 NE2 GLN A 69 20.363 63.514 10.604 1.00 0.00 ATOM 553 O GLN A 69 22.006 62.992 15.786 1.00 0.00 ATOM 554 C GLN A 69 22.099 61.991 15.107 1.00 0.00 ATOM 555 N GLY A 70 23.228 61.610 14.518 1.00 0.00 ATOM 556 CA GLY A 70 24.457 62.402 14.575 1.00 0.00 ATOM 557 O GLY A 70 24.823 61.542 12.355 1.00 0.00 ATOM 558 C GLY A 70 25.301 62.139 13.348 1.00 0.00 ATOM 559 N GLY A 71 26.573 62.515 13.440 1.00 0.00 ATOM 560 CA GLY A 71 27.531 62.315 12.336 1.00 0.00 ATOM 561 O GLY A 71 28.561 63.413 10.493 1.00 0.00 ATOM 562 C GLY A 71 27.772 63.515 11.430 1.00 0.00 ATOM 563 N ASP A 72 27.108 64.652 11.680 1.00 0.00 ATOM 564 CA ASP A 72 27.314 65.857 10.844 1.00 0.00 ATOM 565 CB ASP A 72 26.082 66.750 10.845 1.00 0.00 ATOM 566 CG ASP A 72 26.242 68.016 10.024 1.00 0.00 ATOM 567 OD1 ASP A 72 27.340 68.337 9.548 1.00 0.00 ATOM 568 OD2 ASP A 72 25.229 68.726 9.891 1.00 0.00 ATOM 569 O ASP A 72 28.487 67.461 12.200 1.00 0.00 ATOM 570 C ASP A 72 28.549 66.580 11.349 1.00 0.00 ATOM 571 N PHE A 73 29.690 66.180 10.834 1.00 0.00 ATOM 572 CA PHE A 73 30.938 66.608 11.479 1.00 0.00 ATOM 573 CB PHE A 73 32.059 65.620 11.215 1.00 0.00 ATOM 574 CG PHE A 73 32.347 65.395 9.757 1.00 0.00 ATOM 575 CD1 PHE A 73 33.045 66.339 9.014 1.00 0.00 ATOM 576 CD2 PHE A 73 31.920 64.224 9.119 1.00 0.00 ATOM 577 CE1 PHE A 73 33.306 66.135 7.668 1.00 0.00 ATOM 578 CE2 PHE A 73 32.191 64.026 7.760 1.00 0.00 ATOM 579 CZ PHE A 73 32.899 64.981 7.047 1.00 0.00 ATOM 580 O PHE A 73 32.151 68.651 11.708 1.00 0.00 ATOM 581 C PHE A 73 31.337 68.013 11.061 1.00 0.00 ATOM 582 N SER A 74 30.768 68.491 9.966 1.00 0.00 ATOM 583 CA SER A 74 31.208 69.771 9.396 1.00 0.00 ATOM 584 CB SER A 74 31.354 69.607 7.887 1.00 0.00 ATOM 585 OG SER A 74 30.115 69.349 7.255 1.00 0.00 ATOM 586 O SER A 74 30.717 72.125 9.773 1.00 0.00 ATOM 587 C SER A 74 30.282 70.954 9.772 1.00 0.00 ATOM 588 N GLU A 75 29.007 70.659 10.067 1.00 0.00 ATOM 589 CA GLU A 75 28.043 71.702 10.454 1.00 0.00 ATOM 590 CB GLU A 75 26.935 71.835 9.421 1.00 0.00 ATOM 591 CG GLU A 75 27.389 71.821 8.002 1.00 0.00 ATOM 592 CD GLU A 75 27.746 73.156 7.505 1.00 0.00 ATOM 593 OE1 GLU A 75 28.209 73.987 8.325 1.00 0.00 ATOM 594 OE2 GLU A 75 27.551 73.367 6.279 1.00 0.00 ATOM 595 O GLU A 75 26.859 72.427 12.394 1.00 0.00 ATOM 596 C GLU A 75 27.366 71.473 11.803 1.00 0.00 ATOM 597 N GLY A 76 27.282 70.223 12.256 1.00 0.00 ATOM 598 CA GLY A 76 26.675 69.929 13.556 1.00 0.00 ATOM 599 O GLY A 76 24.630 70.302 14.714 1.00 0.00 ATOM 600 C GLY A 76 25.179 70.130 13.627 1.00 0.00 ATOM 601 N ASN A 77 24.497 70.104 12.491 1.00 0.00 ATOM 602 CA ASN A 77 23.072 70.445 12.492 1.00 0.00 ATOM 603 CB ASN A 77 22.901 71.973 12.370 1.00 0.00 ATOM 604 CG ASN A 77 23.373 72.508 11.037 1.00 0.00 ATOM 605 ND2 ASN A 77 23.457 73.826 10.933 1.00 0.00 ATOM 606 OD1 ASN A 77 23.685 71.751 10.118 1.00 0.00 ATOM 607 O ASN A 77 21.014 70.097 11.315 1.00 0.00 ATOM 608 C ASN A 77 22.197 69.745 11.447 1.00 0.00 ATOM 609 N GLY A 78 22.759 68.770 10.719 1.00 0.00 ATOM 610 CA GLY A 78 22.053 68.083 9.640 1.00 0.00 ATOM 611 O GLY A 78 22.248 67.788 7.297 1.00 0.00 ATOM 612 C GLY A 78 22.406 68.543 8.228 1.00 0.00 ATOM 613 N ARG A 79 22.919 69.766 8.073 1.00 0.00 ATOM 614 CA ARG A 79 23.276 70.317 6.748 1.00 0.00 ATOM 615 CB ARG A 79 23.364 71.854 6.848 1.00 0.00 ATOM 616 CG ARG A 79 22.046 72.517 7.314 1.00 0.00 ATOM 617 CD ARG A 79 22.198 74.039 7.385 1.00 0.00 ATOM 618 NE ARG A 79 21.020 74.706 7.931 1.00 0.00 ATOM 619 O ARG A 79 24.806 69.916 4.894 1.00 0.00 ATOM 620 C ARG A 79 24.582 69.780 6.114 1.00 0.00 ATOM 621 N GLY A 80 25.447 69.194 6.932 1.00 0.00 ATOM 622 CA GLY A 80 26.841 68.995 6.547 1.00 0.00 ATOM 623 O GLY A 80 26.245 66.711 6.379 1.00 0.00 ATOM 624 C GLY A 80 27.149 67.539 6.456 1.00 0.00 ATOM 625 N GLY A 81 28.432 67.219 6.494 1.00 0.00 ATOM 626 CA GLY A 81 28.836 65.827 6.401 1.00 0.00 ATOM 627 O GLY A 81 28.644 65.939 3.995 1.00 0.00 ATOM 628 C GLY A 81 29.126 65.365 4.983 1.00 0.00 ATOM 629 N GLU A 82 29.907 64.304 4.907 1.00 0.00 ATOM 630 CA GLU A 82 30.427 63.794 3.663 1.00 0.00 ATOM 631 CB GLU A 82 31.517 64.746 3.180 1.00 0.00 ATOM 632 CG GLU A 82 32.333 64.272 2.098 1.00 0.00 ATOM 633 CD GLU A 82 33.198 65.360 1.480 1.00 0.00 ATOM 634 OE1 GLU A 82 33.786 66.211 2.211 1.00 0.00 ATOM 635 OE2 GLU A 82 33.287 65.334 0.239 1.00 0.00 ATOM 636 O GLU A 82 31.483 62.117 5.056 1.00 0.00 ATOM 637 C GLU A 82 30.978 62.387 3.949 1.00 0.00 ATOM 638 N SER A 83 30.877 61.503 2.956 1.00 0.00 ATOM 639 CA SER A 83 31.386 60.141 3.064 1.00 0.00 ATOM 640 CB SER A 83 30.739 59.265 2.008 1.00 0.00 ATOM 641 OG SER A 83 31.519 59.209 0.808 1.00 0.00 ATOM 642 O SER A 83 33.416 61.107 2.256 1.00 0.00 ATOM 643 C SER A 83 32.893 60.150 2.824 1.00 0.00 ATOM 644 N ILE A 84 33.551 59.038 3.164 1.00 0.00 ATOM 645 CA ILE A 84 34.990 58.866 2.931 1.00 0.00 ATOM 646 CB ILE A 84 35.569 57.645 3.715 1.00 0.00 ATOM 647 CG1 ILE A 84 34.963 56.307 3.228 1.00 0.00 ATOM 648 CG2 ILE A 84 35.378 57.807 5.233 1.00 0.00 ATOM 649 CD1 ILE A 84 35.852 55.094 3.575 1.00 0.00 ATOM 650 O ILE A 84 36.540 58.862 1.083 1.00 0.00 ATOM 651 C ILE A 84 35.379 58.795 1.427 1.00 0.00 ATOM 652 N TYR A 85 34.393 58.663 0.544 1.00 0.00 ATOM 653 CA TYR A 85 34.637 58.448 -0.873 1.00 0.00 ATOM 654 CB TYR A 85 33.589 57.454 -1.388 1.00 0.00 ATOM 655 CG TYR A 85 33.487 56.188 -0.540 1.00 0.00 ATOM 656 CD1 TYR A 85 34.589 55.301 -0.415 1.00 0.00 ATOM 657 CD2 TYR A 85 32.299 55.872 0.137 1.00 0.00 ATOM 658 CE1 TYR A 85 34.508 54.152 0.361 1.00 0.00 ATOM 659 CE2 TYR A 85 32.196 54.707 0.905 1.00 0.00 ATOM 660 CZ TYR A 85 33.294 53.861 1.026 1.00 0.00 ATOM 661 OH TYR A 85 33.171 52.722 1.773 1.00 0.00 ATOM 662 O TYR A 85 34.849 59.743 -2.902 1.00 0.00 ATOM 663 C TYR A 85 34.619 59.765 -1.687 1.00 0.00 ATOM 664 N GLY A 86 34.402 60.904 -1.017 1.00 0.00 ATOM 665 CA GLY A 86 34.058 62.168 -1.704 1.00 0.00 ATOM 666 O GLY A 86 32.013 61.356 -2.687 1.00 0.00 ATOM 667 C GLY A 86 32.555 62.214 -1.971 1.00 0.00 ATOM 668 N GLY A 87 31.889 63.199 -1.388 1.00 0.00 ATOM 669 CA GLY A 87 30.446 63.354 -1.491 1.00 0.00 ATOM 670 O GLY A 87 30.042 61.657 0.177 1.00 0.00 ATOM 671 C GLY A 87 29.666 62.208 -0.878 1.00 0.00 ATOM 672 N PHE A 88 28.566 61.842 -1.545 1.00 0.00 ATOM 673 CA PHE A 88 27.716 60.756 -1.093 1.00 0.00 ATOM 674 CB PHE A 88 26.248 61.153 -1.167 1.00 0.00 ATOM 675 CG PHE A 88 25.925 62.413 -0.428 1.00 0.00 ATOM 676 CD1 PHE A 88 26.635 62.774 0.740 1.00 0.00 ATOM 677 CD2 PHE A 88 24.943 63.257 -0.893 1.00 0.00 ATOM 678 CE1 PHE A 88 26.348 63.969 1.421 1.00 0.00 ATOM 679 CE2 PHE A 88 24.638 64.441 -0.201 1.00 0.00 ATOM 680 CZ PHE A 88 25.346 64.792 0.942 1.00 0.00 ATOM 681 O PHE A 88 28.476 59.451 -2.954 1.00 0.00 ATOM 682 C PHE A 88 27.912 59.460 -1.870 1.00 0.00 ATOM 683 N PHE A 89 27.404 58.367 -1.305 1.00 0.00 ATOM 684 CA PHE A 89 27.384 57.100 -2.027 1.00 0.00 ATOM 685 CB PHE A 89 28.477 56.129 -1.523 1.00 0.00 ATOM 686 CG PHE A 89 28.381 55.781 -0.063 1.00 0.00 ATOM 687 CD1 PHE A 89 27.886 54.541 0.338 1.00 0.00 ATOM 688 CD2 PHE A 89 28.756 56.705 0.927 1.00 0.00 ATOM 689 CE1 PHE A 89 27.816 54.199 1.687 1.00 0.00 ATOM 690 CE2 PHE A 89 28.666 56.376 2.285 1.00 0.00 ATOM 691 CZ PHE A 89 28.193 55.137 2.668 1.00 0.00 ATOM 692 O PHE A 89 24.997 56.853 -1.423 1.00 0.00 ATOM 693 C PHE A 89 25.995 56.434 -2.089 1.00 0.00 ATOM 694 N GLU A 90 25.952 55.383 -2.911 1.00 0.00 ATOM 695 CA GLU A 90 24.695 54.713 -3.259 1.00 0.00 ATOM 696 CB GLU A 90 24.884 53.849 -4.528 1.00 0.00 ATOM 697 CG GLU A 90 24.783 54.634 -5.833 1.00 0.00 ATOM 698 CD GLU A 90 26.082 55.334 -6.305 1.00 0.00 ATOM 699 OE1 GLU A 90 27.124 55.282 -5.587 1.00 0.00 ATOM 700 OE2 GLU A 90 26.043 55.933 -7.430 1.00 0.00 ATOM 701 O GLU A 90 24.976 53.382 -1.291 1.00 0.00 ATOM 702 C GLU A 90 24.180 53.883 -2.097 1.00 0.00 ATOM 703 N ASP A 91 22.844 53.810 -1.975 1.00 0.00 ATOM 704 CA ASP A 91 22.198 52.855 -1.103 1.00 0.00 ATOM 705 CB ASP A 91 20.688 52.978 -1.211 1.00 0.00 ATOM 706 CG ASP A 91 20.173 54.352 -0.769 1.00 0.00 ATOM 707 OD1 ASP A 91 20.671 54.902 0.240 1.00 0.00 ATOM 708 OD2 ASP A 91 19.235 54.843 -1.407 1.00 0.00 ATOM 709 O ASP A 91 22.445 51.045 -2.678 1.00 0.00 ATOM 710 C ASP A 91 22.638 51.446 -1.524 1.00 0.00 ATOM 711 N GLU A 92 23.275 50.714 -0.600 1.00 0.00 ATOM 712 CA GLU A 92 23.892 49.447 -0.952 1.00 0.00 ATOM 713 CB GLU A 92 25.257 49.394 -0.221 1.00 0.00 ATOM 714 CG GLU A 92 25.990 48.043 -0.175 1.00 0.00 ATOM 715 CD GLU A 92 27.346 48.194 0.490 1.00 0.00 ATOM 716 OE1 GLU A 92 27.482 48.992 1.446 1.00 0.00 ATOM 717 OE2 GLU A 92 28.286 47.528 0.053 1.00 0.00 ATOM 718 O GLU A 92 23.086 47.188 -1.387 1.00 0.00 ATOM 719 C GLU A 92 23.003 48.173 -0.656 1.00 0.00 ATOM 720 N SER A 93 22.156 48.228 0.391 1.00 0.00 ATOM 721 CA SER A 93 21.351 47.091 0.847 1.00 0.00 ATOM 722 CB SER A 93 22.147 46.197 1.804 1.00 0.00 ATOM 723 OG SER A 93 21.314 45.164 2.361 1.00 0.00 ATOM 724 O SER A 93 20.235 48.401 2.505 1.00 0.00 ATOM 725 C SER A 93 20.121 47.552 1.618 1.00 0.00 ATOM 726 N PHE A 94 18.961 46.971 1.291 1.00 0.00 ATOM 727 CA PHE A 94 17.777 47.078 2.152 1.00 0.00 ATOM 728 CB PHE A 94 16.557 47.558 1.361 1.00 0.00 ATOM 729 CG PHE A 94 16.775 48.831 0.602 1.00 0.00 ATOM 730 CD1 PHE A 94 17.383 49.938 1.209 1.00 0.00 ATOM 731 CD2 PHE A 94 16.370 48.936 -0.767 1.00 0.00 ATOM 732 CE1 PHE A 94 17.575 51.109 0.522 1.00 0.00 ATOM 733 CE2 PHE A 94 16.538 50.123 -1.449 1.00 0.00 ATOM 734 CZ PHE A 94 17.152 51.223 -0.807 1.00 0.00 ATOM 735 O PHE A 94 16.336 45.539 3.370 1.00 0.00 ATOM 736 C PHE A 94 17.451 45.730 2.868 1.00 0.00 ATOM 737 N ALA A 95 18.432 44.841 2.941 1.00 0.00 ATOM 738 CA ALA A 95 18.254 43.473 3.471 1.00 0.00 ATOM 739 CB ALA A 95 19.508 42.595 3.176 1.00 0.00 ATOM 740 O ALA A 95 17.150 42.584 5.406 1.00 0.00 ATOM 741 C ALA A 95 17.924 43.431 4.978 1.00 0.00 ATOM 742 N VAL A 96 18.524 44.332 5.764 1.00 0.00 ATOM 743 CA VAL A 96 18.354 44.345 7.208 1.00 0.00 ATOM 744 CB VAL A 96 19.663 44.763 7.942 1.00 0.00 ATOM 745 CG1 VAL A 96 19.407 44.911 9.419 1.00 0.00 ATOM 746 CG2 VAL A 96 20.805 43.746 7.676 1.00 0.00 ATOM 747 O VAL A 96 17.142 46.432 7.042 1.00 0.00 ATOM 748 C VAL A 96 17.178 45.280 7.505 1.00 0.00 ATOM 749 N LYS A 97 16.208 44.773 8.249 1.00 0.00 ATOM 750 CA LYS A 97 14.956 45.511 8.475 1.00 0.00 ATOM 751 CB LYS A 97 13.827 44.550 8.685 1.00 0.00 ATOM 752 CG LYS A 97 13.616 43.611 7.546 1.00 0.00 ATOM 753 CD LYS A 97 12.541 42.634 7.911 1.00 0.00 ATOM 754 CE LYS A 97 11.181 43.322 8.055 1.00 0.00 ATOM 755 NZ LYS A 97 10.076 42.325 8.041 1.00 0.00 ATOM 756 O LYS A 97 15.889 46.122 10.586 1.00 0.00 ATOM 757 C LYS A 97 15.114 46.426 9.694 1.00 0.00 ATOM 758 N HIS A 98 14.405 47.553 9.677 1.00 0.00 ATOM 759 CA HIS A 98 14.289 48.458 10.831 1.00 0.00 ATOM 760 CB HIS A 98 13.880 49.848 10.359 1.00 0.00 ATOM 761 CG HIS A 98 14.930 50.590 9.582 1.00 0.00 ATOM 762 CD2 HIS A 98 15.835 51.523 9.965 1.00 0.00 ATOM 763 ND1 HIS A 98 15.045 50.490 8.209 1.00 0.00 ATOM 764 CE1 HIS A 98 16.030 51.259 7.796 1.00 0.00 ATOM 765 NE2 HIS A 98 16.509 51.920 8.834 1.00 0.00 ATOM 766 O HIS A 98 12.242 48.615 12.150 1.00 0.00 ATOM 767 C HIS A 98 13.254 47.949 11.855 1.00 0.00 ATOM 768 N ASN A 99 13.507 46.778 12.412 1.00 0.00 ATOM 769 CA ASN A 99 12.499 46.080 13.188 1.00 0.00 ATOM 770 CB ASN A 99 12.342 44.618 12.659 1.00 0.00 ATOM 771 CG ASN A 99 13.606 43.773 12.838 1.00 0.00 ATOM 772 ND2 ASN A 99 13.562 42.543 12.345 1.00 0.00 ATOM 773 OD1 ASN A 99 14.599 44.222 13.418 1.00 0.00 ATOM 774 O ASN A 99 11.862 45.568 15.455 1.00 0.00 ATOM 775 C ASN A 99 12.692 46.119 14.720 1.00 0.00 ATOM 776 N ALA A 100 13.745 46.793 15.194 1.00 0.00 ATOM 777 CA ALA A 100 14.055 46.860 16.615 1.00 0.00 ATOM 778 CB ALA A 100 15.048 45.700 17.000 1.00 0.00 ATOM 779 O ALA A 100 15.132 48.928 16.061 1.00 0.00 ATOM 780 C ALA A 100 14.680 48.223 16.947 1.00 0.00 ATOM 781 N ALA A 101 14.742 48.548 18.238 1.00 0.00 ATOM 782 CA ALA A 101 15.670 49.558 18.743 1.00 0.00 ATOM 783 CB ALA A 101 15.424 49.824 20.242 1.00 0.00 ATOM 784 O ALA A 101 17.397 47.883 18.487 1.00 0.00 ATOM 785 C ALA A 101 17.108 49.092 18.556 1.00 0.00 ATOM 786 N PHE A 102 17.995 50.077 18.549 1.00 0.00 ATOM 787 CA PHE A 102 19.427 49.899 18.684 1.00 0.00 ATOM 788 CB PHE A 102 19.769 48.965 19.862 1.00 0.00 ATOM 789 CG PHE A 102 19.231 49.429 21.195 1.00 0.00 ATOM 790 CD1 PHE A 102 19.575 50.707 21.743 1.00 0.00 ATOM 791 CD2 PHE A 102 18.414 48.566 21.956 1.00 0.00 ATOM 792 CE1 PHE A 102 19.065 51.103 22.972 1.00 0.00 ATOM 793 CE2 PHE A 102 17.917 48.980 23.208 1.00 0.00 ATOM 794 CZ PHE A 102 18.213 50.244 23.693 1.00 0.00 ATOM 795 O PHE A 102 21.194 48.942 17.420 1.00 0.00 ATOM 796 C PHE A 102 20.068 49.412 17.399 1.00 0.00 ATOM 797 N LEU A 103 19.328 49.557 16.290 1.00 0.00 ATOM 798 CA LEU A 103 19.860 49.393 14.938 1.00 0.00 ATOM 799 CB LEU A 103 18.776 48.873 13.982 1.00 0.00 ATOM 800 CG LEU A 103 18.261 47.461 14.329 1.00 0.00 ATOM 801 CD1 LEU A 103 17.080 47.173 13.420 1.00 0.00 ATOM 802 CD2 LEU A 103 19.290 46.356 14.210 1.00 0.00 ATOM 803 O LEU A 103 19.977 51.783 14.602 1.00 0.00 ATOM 804 C LEU A 103 20.512 50.688 14.432 1.00 0.00 ATOM 805 N LEU A 104 21.698 50.521 13.836 1.00 0.00 ATOM 806 CA LEU A 104 22.478 51.598 13.200 1.00 0.00 ATOM 807 CB LEU A 104 23.960 51.373 13.460 1.00 0.00 ATOM 808 CG LEU A 104 24.909 52.465 13.042 1.00 0.00 ATOM 809 CD1 LEU A 104 24.681 53.734 13.837 1.00 0.00 ATOM 810 CD2 LEU A 104 26.388 51.924 13.175 1.00 0.00 ATOM 811 O LEU A 104 22.471 50.770 10.934 1.00 0.00 ATOM 812 C LEU A 104 22.225 51.707 11.699 1.00 0.00 ATOM 813 N SER A 105 21.769 52.886 11.273 1.00 0.00 ATOM 814 CA SER A 105 21.319 53.092 9.923 1.00 0.00 ATOM 815 CB SER A 105 19.807 52.935 9.908 1.00 0.00 ATOM 816 OG SER A 105 19.285 52.924 8.588 1.00 0.00 ATOM 817 O SER A 105 21.973 55.427 10.127 1.00 0.00 ATOM 818 C SER A 105 21.720 54.476 9.372 1.00 0.00 ATOM 819 N MET A 106 21.766 54.579 8.053 1.00 0.00 ATOM 820 CA MET A 106 22.248 55.805 7.418 1.00 0.00 ATOM 821 CB MET A 106 22.854 55.512 6.043 1.00 0.00 ATOM 822 CG MET A 106 24.275 54.841 6.076 1.00 0.00 ATOM 823 SD MET A 106 25.480 55.756 7.073 1.00 0.00 ATOM 824 CE MET A 106 25.995 56.999 5.898 1.00 0.00 ATOM 825 O MET A 106 20.032 56.479 6.757 1.00 0.00 ATOM 826 C MET A 106 21.100 56.791 7.325 1.00 0.00 ATOM 827 N ALA A 107 21.324 57.984 7.860 1.00 0.00 ATOM 828 CA ALA A 107 20.474 59.120 7.571 1.00 0.00 ATOM 829 CB ALA A 107 20.679 60.245 8.598 1.00 0.00 ATOM 830 O ALA A 107 21.945 59.312 5.683 1.00 0.00 ATOM 831 C ALA A 107 20.829 59.571 6.163 1.00 0.00 ATOM 832 N ASN A 108 19.876 60.164 5.460 1.00 0.00 ATOM 833 CA ASN A 108 20.176 60.710 4.112 1.00 0.00 ATOM 834 CB ASN A 108 20.153 59.600 3.054 1.00 0.00 ATOM 835 CG ASN A 108 18.845 58.887 2.986 1.00 0.00 ATOM 836 ND2 ASN A 108 18.864 57.571 3.219 1.00 0.00 ATOM 837 OD1 ASN A 108 17.814 59.502 2.689 1.00 0.00 ATOM 838 O ASN A 108 18.405 62.268 4.509 1.00 0.00 ATOM 839 C ASN A 108 19.268 61.863 3.720 1.00 0.00 ATOM 840 N ARG A 109 19.477 62.384 2.515 1.00 0.00 ATOM 841 CA ARG A 109 18.643 63.465 1.952 1.00 0.00 ATOM 842 CB ARG A 109 19.497 64.649 1.478 1.00 0.00 ATOM 843 CG ARG A 109 20.345 65.343 2.482 1.00 0.00 ATOM 844 CD ARG A 109 21.465 66.148 1.758 1.00 0.00 ATOM 845 NE ARG A 109 22.323 66.883 2.699 1.00 0.00 ATOM 846 CZ ARG A 109 23.171 66.313 3.558 1.00 0.00 ATOM 847 NH1 ARG A 109 23.309 65.001 3.620 1.00 0.00 ATOM 848 NH2 ARG A 109 23.895 67.059 4.360 1.00 0.00 ATOM 849 O ARG A 109 17.725 63.709 -0.251 1.00 0.00 ATOM 850 C ARG A 109 17.861 62.953 0.727 1.00 0.00 ATOM 851 N GLY A 110 17.374 61.703 0.798 1.00 0.00 ATOM 852 CA GLY A 110 16.727 60.988 -0.301 1.00 0.00 ATOM 853 O GLY A 110 18.671 59.547 -0.355 1.00 0.00 ATOM 854 C GLY A 110 17.608 59.879 -0.895 1.00 0.00 ATOM 855 N LYS A 111 17.168 59.335 -2.035 1.00 0.00 ATOM 856 CA LYS A 111 17.861 58.229 -2.734 1.00 0.00 ATOM 857 CB LYS A 111 17.144 57.914 -4.058 1.00 0.00 ATOM 858 CG LYS A 111 17.331 56.477 -4.583 1.00 0.00 ATOM 859 CD LYS A 111 16.873 56.339 -6.056 1.00 0.00 ATOM 860 CE LYS A 111 17.294 55.013 -6.722 1.00 0.00 ATOM 861 NZ LYS A 111 18.672 54.534 -6.345 1.00 0.00 ATOM 862 O LYS A 111 19.665 59.607 -3.512 1.00 0.00 ATOM 863 C LYS A 111 19.343 58.535 -3.011 1.00 0.00 ATOM 864 N ASP A 112 20.218 57.602 -2.624 1.00 0.00 ATOM 865 CA ASP A 112 21.664 57.588 -2.961 1.00 0.00 ATOM 866 CB ASP A 112 21.892 57.350 -4.460 1.00 0.00 ATOM 867 CG ASP A 112 21.333 56.006 -4.969 1.00 0.00 ATOM 868 OD1 ASP A 112 21.241 55.023 -4.207 1.00 0.00 ATOM 869 OD2 ASP A 112 21.003 55.940 -6.168 1.00 0.00 ATOM 870 O ASP A 112 23.269 59.408 -3.237 1.00 0.00 ATOM 871 C ASP A 112 22.417 58.869 -2.509 1.00 0.00 ATOM 872 N THR A 113 22.093 59.319 -1.302 1.00 0.00 ATOM 873 CA THR A 113 22.721 60.493 -0.674 1.00 0.00 ATOM 874 CB THR A 113 21.701 61.683 -0.575 1.00 0.00 ATOM 875 CG2 THR A 113 21.132 62.040 -1.935 1.00 0.00 ATOM 876 OG1 THR A 113 20.617 61.328 0.282 1.00 0.00 ATOM 877 O THR A 113 23.326 60.881 1.654 1.00 0.00 ATOM 878 C THR A 113 23.360 60.101 0.713 1.00 0.00 ATOM 879 N ASN A 114 23.935 58.897 0.811 1.00 0.00 ATOM 880 CA ASN A 114 24.694 58.464 2.008 1.00 0.00 ATOM 881 CB ASN A 114 24.962 56.954 2.015 1.00 0.00 ATOM 882 CG ASN A 114 23.671 56.117 1.953 1.00 0.00 ATOM 883 ND2 ASN A 114 23.395 55.543 0.791 1.00 0.00 ATOM 884 OD1 ASN A 114 22.932 56.018 2.923 1.00 0.00 ATOM 885 O ASN A 114 26.890 59.233 1.287 1.00 0.00 ATOM 886 C ASN A 114 26.023 59.241 2.175 1.00 0.00 ATOM 887 N GLY A 115 26.179 59.882 3.326 1.00 0.00 ATOM 888 CA GLY A 115 27.330 60.719 3.634 1.00 0.00 ATOM 889 O GLY A 115 28.757 59.200 4.798 1.00 0.00 ATOM 890 C GLY A 115 28.125 60.249 4.847 1.00 0.00 ATOM 891 N SER A 116 28.112 61.043 5.931 1.00 0.00 ATOM 892 CA SER A 116 28.660 60.626 7.239 1.00 0.00 ATOM 893 CB SER A 116 29.721 61.626 7.738 1.00 0.00 ATOM 894 OG SER A 116 29.277 62.987 7.685 1.00 0.00 ATOM 895 O SER A 116 27.759 59.967 9.357 1.00 0.00 ATOM 896 C SER A 116 27.546 60.495 8.293 1.00 0.00 ATOM 897 N GLN A 117 26.341 60.961 7.990 1.00 0.00 ATOM 898 CA GLN A 117 25.316 60.975 8.990 1.00 0.00 ATOM 899 CB GLN A 117 24.350 62.105 8.736 1.00 0.00 ATOM 900 CG GLN A 117 24.940 63.478 8.950 1.00 0.00 ATOM 901 CD GLN A 117 23.921 64.527 8.688 1.00 0.00 ATOM 902 OE1 GLN A 117 22.912 64.600 9.387 1.00 0.00 ATOM 903 NE2 GLN A 117 24.146 65.327 7.650 1.00 0.00 ATOM 904 O GLN A 117 24.269 58.917 8.233 1.00 0.00 ATOM 905 C GLN A 117 24.591 59.641 9.191 1.00 0.00 ATOM 906 N PHE A 118 24.343 59.335 10.466 1.00 0.00 ATOM 907 CA PHE A 118 23.774 58.066 10.915 1.00 0.00 ATOM 908 CB PHE A 118 24.863 57.175 11.503 1.00 0.00 ATOM 909 CG PHE A 118 25.498 57.754 12.730 1.00 0.00 ATOM 910 CD1 PHE A 118 24.962 57.519 13.973 1.00 0.00 ATOM 911 CD2 PHE A 118 26.590 58.636 12.626 1.00 0.00 ATOM 912 CE1 PHE A 118 25.518 58.072 15.109 1.00 0.00 ATOM 913 CE2 PHE A 118 27.150 59.185 13.759 1.00 0.00 ATOM 914 CZ PHE A 118 26.625 58.906 15.003 1.00 0.00 ATOM 915 O PHE A 118 22.686 59.356 12.643 1.00 0.00 ATOM 916 C PHE A 118 22.723 58.291 11.983 1.00 0.00 ATOM 917 N PHE A 119 21.871 57.279 12.170 1.00 0.00 ATOM 918 CA PHE A 119 20.950 57.283 13.271 1.00 0.00 ATOM 919 CB PHE A 119 19.605 57.866 12.848 1.00 0.00 ATOM 920 CG PHE A 119 18.843 57.015 11.875 1.00 0.00 ATOM 921 CD1 PHE A 119 17.830 56.156 12.330 1.00 0.00 ATOM 922 CD2 PHE A 119 19.127 57.070 10.525 1.00 0.00 ATOM 923 CE1 PHE A 119 17.096 55.334 11.413 1.00 0.00 ATOM 924 CE2 PHE A 119 18.409 56.271 9.604 1.00 0.00 ATOM 925 CZ PHE A 119 17.384 55.403 10.057 1.00 0.00 ATOM 926 O PHE A 119 21.097 54.821 13.333 1.00 0.00 ATOM 927 C PHE A 119 20.845 55.876 13.958 1.00 0.00 ATOM 928 N ILE A 120 20.527 55.898 15.257 1.00 0.00 ATOM 929 CA ILE A 120 20.361 54.708 16.059 1.00 0.00 ATOM 930 CB ILE A 120 21.194 54.737 17.387 1.00 0.00 ATOM 931 CG1 ILE A 120 22.720 54.801 17.123 1.00 0.00 ATOM 932 CG2 ILE A 120 20.932 53.488 18.245 1.00 0.00 ATOM 933 CD1 ILE A 120 23.500 55.405 18.319 1.00 0.00 ATOM 934 O ILE A 120 18.376 55.596 17.038 1.00 0.00 ATOM 935 C ILE A 120 18.884 54.688 16.359 1.00 0.00 ATOM 936 N THR A 121 18.175 53.704 15.820 1.00 0.00 ATOM 937 CA THR A 121 16.731 53.551 16.137 1.00 0.00 ATOM 938 CB THR A 121 16.098 52.336 15.400 1.00 0.00 ATOM 939 CG2 THR A 121 16.291 52.449 13.871 1.00 0.00 ATOM 940 OG1 THR A 121 16.641 51.108 15.893 1.00 0.00 ATOM 941 O THR A 121 17.346 52.793 18.288 1.00 0.00 ATOM 942 C THR A 121 16.510 53.371 17.635 1.00 0.00 ATOM 943 N THR A 122 15.371 53.844 18.173 1.00 0.00 ATOM 944 CA THR A 122 14.985 53.570 19.566 1.00 0.00 ATOM 945 CB THR A 122 14.948 54.858 20.422 1.00 0.00 ATOM 946 CG2 THR A 122 16.341 55.453 20.551 1.00 0.00 ATOM 947 OG1 THR A 122 14.021 55.803 19.856 1.00 0.00 ATOM 948 O THR A 122 13.271 52.574 20.939 1.00 0.00 ATOM 949 C THR A 122 13.661 52.825 19.778 1.00 0.00 ATOM 950 N LYS A 123 12.991 52.513 18.679 1.00 0.00 ATOM 951 CA LYS A 123 11.849 51.579 18.596 1.00 0.00 ATOM 952 CB LYS A 123 10.506 52.323 18.719 1.00 0.00 ATOM 953 CG LYS A 123 10.251 52.922 20.082 1.00 0.00 ATOM 954 CD LYS A 123 10.041 51.828 21.111 1.00 0.00 ATOM 955 CE LYS A 123 9.671 52.384 22.474 1.00 0.00 ATOM 956 NZ LYS A 123 10.481 51.692 23.499 1.00 0.00 ATOM 957 O LYS A 123 12.790 51.231 16.429 1.00 0.00 ATOM 958 C LYS A 123 11.914 50.903 17.229 1.00 0.00 ATOM 959 N PRO A 124 11.011 49.931 16.973 1.00 0.00 ATOM 960 CA PRO A 124 10.861 49.464 15.598 1.00 0.00 ATOM 961 CB PRO A 124 9.852 48.327 15.717 1.00 0.00 ATOM 962 CG PRO A 124 9.900 47.892 17.141 1.00 0.00 ATOM 963 CD PRO A 124 10.133 49.183 17.893 1.00 0.00 ATOM 964 O PRO A 124 9.409 51.271 15.055 1.00 0.00 ATOM 965 C PRO A 124 10.357 50.599 14.708 1.00 0.00 ATOM 966 N THR A 125 11.043 50.814 13.597 1.00 0.00 ATOM 967 CA THR A 125 10.730 51.866 12.630 1.00 0.00 ATOM 968 CB THR A 125 11.813 52.998 12.656 1.00 0.00 ATOM 969 CG2 THR A 125 11.907 53.618 14.031 1.00 0.00 ATOM 970 OG1 THR A 125 13.107 52.481 12.266 1.00 0.00 ATOM 971 O THR A 125 11.479 51.576 10.366 1.00 0.00 ATOM 972 C THR A 125 10.648 51.258 11.226 1.00 0.00 ATOM 973 N PRO A 126 9.636 50.395 10.982 1.00 0.00 ATOM 974 CA PRO A 126 9.629 49.644 9.728 1.00 0.00 ATOM 975 CB PRO A 126 8.544 48.578 9.942 1.00 0.00 ATOM 976 CG PRO A 126 7.647 49.119 11.044 1.00 0.00 ATOM 977 CD PRO A 126 8.439 50.140 11.812 1.00 0.00 ATOM 978 O PRO A 126 9.702 50.176 7.404 1.00 0.00 ATOM 979 C PRO A 126 9.370 50.537 8.527 1.00 0.00 ATOM 980 N HIS A 127 8.798 51.715 8.748 1.00 0.00 ATOM 981 CA HIS A 127 8.551 52.602 7.615 1.00 0.00 ATOM 982 CB HIS A 127 7.622 53.744 8.032 1.00 0.00 ATOM 983 CG HIS A 127 8.261 54.754 8.935 1.00 0.00 ATOM 984 CD2 HIS A 127 8.710 56.008 8.684 1.00 0.00 ATOM 985 ND1 HIS A 127 8.485 54.520 10.278 1.00 0.00 ATOM 986 CE1 HIS A 127 9.051 55.586 10.811 1.00 0.00 ATOM 987 NE2 HIS A 127 9.197 56.503 9.868 1.00 0.00 ATOM 988 O HIS A 127 9.860 53.655 5.892 1.00 0.00 ATOM 989 C HIS A 127 9.873 53.143 6.985 1.00 0.00 ATOM 990 N LEU A 128 11.000 52.994 7.672 1.00 0.00 ATOM 991 CA LEU A 128 12.267 53.427 7.104 1.00 0.00 ATOM 992 CB LEU A 128 13.241 53.835 8.207 1.00 0.00 ATOM 993 CG LEU A 128 12.714 54.913 9.174 1.00 0.00 ATOM 994 CD1 LEU A 128 13.771 55.258 10.215 1.00 0.00 ATOM 995 CD2 LEU A 128 12.264 56.142 8.387 1.00 0.00 ATOM 996 O LEU A 128 13.901 52.664 5.552 1.00 0.00 ATOM 997 C LEU A 128 12.891 52.390 6.176 1.00 0.00 ATOM 998 N ASP A 129 12.329 51.184 6.125 1.00 0.00 ATOM 999 CA ASP A 129 12.856 50.146 5.217 1.00 0.00 ATOM 1000 CB ASP A 129 12.094 48.831 5.430 1.00 0.00 ATOM 1001 CG ASP A 129 12.359 48.175 6.776 1.00 0.00 ATOM 1002 OD1 ASP A 129 13.359 48.488 7.448 1.00 0.00 ATOM 1003 OD2 ASP A 129 11.559 47.292 7.163 1.00 0.00 ATOM 1004 O ASP A 129 11.724 51.209 3.317 1.00 0.00 ATOM 1005 C ASP A 129 12.742 50.631 3.733 1.00 0.00 ATOM 1006 N GLY A 130 13.811 50.426 2.963 1.00 0.00 ATOM 1007 CA GLY A 130 13.931 50.871 1.578 1.00 0.00 ATOM 1008 O GLY A 130 14.603 52.797 0.301 1.00 0.00 ATOM 1009 C GLY A 130 14.324 52.323 1.412 1.00 0.00 ATOM 1010 N HIS A 131 14.343 53.062 2.507 1.00 0.00 ATOM 1011 CA HIS A 131 14.712 54.481 2.433 1.00 0.00 ATOM 1012 CB HIS A 131 13.635 55.334 3.096 1.00 0.00 ATOM 1013 CG HIS A 131 12.298 55.217 2.459 1.00 0.00 ATOM 1014 CD2 HIS A 131 11.234 54.429 2.746 1.00 0.00 ATOM 1015 ND1 HIS A 131 11.921 55.996 1.390 1.00 0.00 ATOM 1016 CE1 HIS A 131 10.687 55.686 1.037 1.00 0.00 ATOM 1017 NE2 HIS A 131 10.248 54.744 1.848 1.00 0.00 ATOM 1018 O HIS A 131 16.750 55.716 2.780 1.00 0.00 ATOM 1019 C HIS A 131 16.048 54.740 3.113 1.00 0.00 ATOM 1020 N HIS A 132 16.375 53.914 4.102 1.00 0.00 ATOM 1021 CA HIS A 132 17.644 54.022 4.815 1.00 0.00 ATOM 1022 CB HIS A 132 17.416 54.640 6.202 1.00 0.00 ATOM 1023 CG HIS A 132 16.733 55.974 6.153 1.00 0.00 ATOM 1024 CD2 HIS A 132 15.422 56.316 6.144 1.00 0.00 ATOM 1025 ND1 HIS A 132 17.430 57.150 6.069 1.00 0.00 ATOM 1026 CE1 HIS A 132 16.589 58.166 6.019 1.00 0.00 ATOM 1027 NE2 HIS A 132 15.366 57.692 6.058 1.00 0.00 ATOM 1028 O HIS A 132 17.618 51.661 5.246 1.00 0.00 ATOM 1029 C HIS A 132 18.285 52.649 4.950 1.00 0.00 ATOM 1030 N VAL A 133 19.605 52.621 4.788 1.00 0.00 ATOM 1031 CA VAL A 133 20.378 51.415 4.809 1.00 0.00 ATOM 1032 CB VAL A 133 21.617 51.535 3.874 1.00 0.00 ATOM 1033 CG1 VAL A 133 22.551 50.326 4.035 1.00 0.00 ATOM 1034 CG2 VAL A 133 21.173 51.738 2.379 1.00 0.00 ATOM 1035 O VAL A 133 21.698 51.751 6.789 1.00 0.00 ATOM 1036 C VAL A 133 20.810 51.093 6.235 1.00 0.00 ATOM 1037 N VAL A 134 20.199 50.045 6.797 1.00 0.00 ATOM 1038 CA VAL A 134 20.662 49.439 8.078 1.00 0.00 ATOM 1039 CB VAL A 134 19.575 48.514 8.664 1.00 0.00 ATOM 1040 CG1 VAL A 134 19.915 48.052 10.097 1.00 0.00 ATOM 1041 CG2 VAL A 134 18.298 49.235 8.685 1.00 0.00 ATOM 1042 O VAL A 134 22.103 47.839 6.951 1.00 0.00 ATOM 1043 C VAL A 134 22.009 48.712 7.837 1.00 0.00 ATOM 1044 N PHE A 135 23.058 49.127 8.573 1.00 0.00 ATOM 1045 CA PHE A 135 24.394 48.549 8.417 1.00 0.00 ATOM 1046 CB PHE A 135 25.342 49.529 7.683 1.00 0.00 ATOM 1047 CG PHE A 135 25.680 50.801 8.479 1.00 0.00 ATOM 1048 CD1 PHE A 135 26.895 50.916 9.161 1.00 0.00 ATOM 1049 CD2 PHE A 135 24.797 51.891 8.498 1.00 0.00 ATOM 1050 CE1 PHE A 135 27.200 52.081 9.888 1.00 0.00 ATOM 1051 CE2 PHE A 135 25.088 53.054 9.222 1.00 0.00 ATOM 1052 CZ PHE A 135 26.287 53.156 9.916 1.00 0.00 ATOM 1053 O PHE A 135 26.175 47.484 9.655 1.00 0.00 ATOM 1054 C PHE A 135 25.069 48.045 9.710 1.00 0.00 ATOM 1055 N GLY A 136 24.411 48.201 10.849 1.00 0.00 ATOM 1056 CA GLY A 136 24.965 47.776 12.123 1.00 0.00 ATOM 1057 O GLY A 136 22.762 47.943 13.096 1.00 0.00 ATOM 1058 C GLY A 136 23.965 47.764 13.278 1.00 0.00 ATOM 1059 N GLN A 137 24.504 47.569 14.472 1.00 0.00 ATOM 1060 CA GLN A 137 23.712 47.334 15.678 1.00 0.00 ATOM 1061 CB GLN A 137 23.328 45.880 15.694 1.00 0.00 ATOM 1062 CG GLN A 137 22.540 45.371 16.865 1.00 0.00 ATOM 1063 CD GLN A 137 21.994 44.009 16.533 1.00 0.00 ATOM 1064 OE1 GLN A 137 22.740 43.149 16.103 1.00 0.00 ATOM 1065 NE2 GLN A 137 20.691 43.827 16.664 1.00 0.00 ATOM 1066 O GLN A 137 25.749 47.341 16.973 1.00 0.00 ATOM 1067 C GLN A 137 24.545 47.664 16.909 1.00 0.00 ATOM 1068 N VAL A 138 23.894 48.293 17.890 1.00 0.00 ATOM 1069 CA VAL A 138 24.483 48.443 19.225 1.00 0.00 ATOM 1070 CB VAL A 138 23.630 49.328 20.122 1.00 0.00 ATOM 1071 CG1 VAL A 138 24.229 49.356 21.520 1.00 0.00 ATOM 1072 CG2 VAL A 138 23.552 50.768 19.558 1.00 0.00 ATOM 1073 O VAL A 138 23.718 46.302 20.087 1.00 0.00 ATOM 1074 C VAL A 138 24.683 47.081 19.941 1.00 0.00 ATOM 1075 N ILE A 139 25.917 46.799 20.394 1.00 0.00 ATOM 1076 CA ILE A 139 26.158 45.588 21.215 1.00 0.00 ATOM 1077 CB ILE A 139 27.270 44.641 20.674 1.00 0.00 ATOM 1078 CG1 ILE A 139 28.656 45.295 20.745 1.00 0.00 ATOM 1079 CG2 ILE A 139 26.915 44.113 19.276 1.00 0.00 ATOM 1080 CD1 ILE A 139 29.726 44.548 20.067 1.00 0.00 ATOM 1081 O ILE A 139 26.000 45.015 23.572 1.00 0.00 ATOM 1082 C ILE A 139 26.333 45.866 22.736 1.00 0.00 ATOM 1083 N SER A 140 26.788 47.059 23.078 1.00 0.00 ATOM 1084 CA SER A 140 26.745 47.536 24.448 1.00 0.00 ATOM 1085 CB SER A 140 28.015 47.126 25.216 1.00 0.00 ATOM 1086 OG SER A 140 29.157 47.614 24.560 1.00 0.00 ATOM 1087 O SER A 140 26.898 49.744 23.467 1.00 0.00 ATOM 1088 C SER A 140 26.583 49.060 24.464 1.00 0.00 ATOM 1089 N GLY A 141 26.106 49.557 25.603 1.00 0.00 ATOM 1090 CA GLY A 141 25.787 50.975 25.796 1.00 0.00 ATOM 1091 O GLY A 141 24.047 52.460 25.129 1.00 0.00 ATOM 1092 C GLY A 141 24.353 51.323 25.438 1.00 0.00 ATOM 1093 N GLN A 142 23.458 50.347 25.493 1.00 0.00 ATOM 1094 CA GLN A 142 22.047 50.616 25.214 1.00 0.00 ATOM 1095 CB GLN A 142 21.238 49.306 25.328 1.00 0.00 ATOM 1096 CG GLN A 142 21.563 48.257 24.241 1.00 0.00 ATOM 1097 CD GLN A 142 22.761 47.331 24.561 1.00 0.00 ATOM 1098 OE1 GLN A 142 23.517 47.534 25.523 1.00 0.00 ATOM 1099 NE2 GLN A 142 22.920 46.298 23.752 1.00 0.00 ATOM 1100 O GLN A 142 20.700 52.620 25.731 1.00 0.00 ATOM 1101 C GLN A 142 21.470 51.731 26.157 1.00 0.00 ATOM 1102 N GLU A 143 21.833 51.654 27.429 1.00 0.00 ATOM 1103 CA GLU A 143 21.440 52.651 28.437 1.00 0.00 ATOM 1104 CB GLU A 143 21.797 52.129 29.860 1.00 0.00 ATOM 1105 CG GLU A 143 23.291 52.158 30.277 1.00 0.00 ATOM 1106 CD GLU A 143 24.224 51.173 29.528 1.00 0.00 ATOM 1107 OE1 GLU A 143 23.764 50.087 29.017 1.00 0.00 ATOM 1108 OE2 GLU A 143 25.436 51.515 29.474 1.00 0.00 ATOM 1109 O GLU A 143 21.244 55.096 28.375 1.00 0.00 ATOM 1110 C GLU A 143 21.955 54.082 28.137 1.00 0.00 ATOM 1111 N VAL A 144 23.118 54.178 27.507 1.00 0.00 ATOM 1112 CA VAL A 144 23.605 55.482 27.037 1.00 0.00 ATOM 1113 CB VAL A 144 25.073 55.409 26.593 1.00 0.00 ATOM 1114 CG1 VAL A 144 25.555 56.802 26.127 1.00 0.00 ATOM 1115 CG2 VAL A 144 25.960 54.848 27.725 1.00 0.00 ATOM 1116 O VAL A 144 22.406 57.235 25.875 1.00 0.00 ATOM 1117 C VAL A 144 22.722 56.046 25.891 1.00 0.00 ATOM 1118 N VAL A 145 22.356 55.188 24.934 1.00 0.00 ATOM 1119 CA VAL A 145 21.421 55.525 23.856 1.00 0.00 ATOM 1120 CB VAL A 145 21.211 54.303 22.905 1.00 0.00 ATOM 1121 CG1 VAL A 145 20.207 54.607 21.778 1.00 0.00 ATOM 1122 CG2 VAL A 145 22.532 53.909 22.267 1.00 0.00 ATOM 1123 O VAL A 145 19.630 57.121 24.067 1.00 0.00 ATOM 1124 C VAL A 145 20.088 56.054 24.447 1.00 0.00 ATOM 1125 N ARG A 146 19.518 55.344 25.431 1.00 0.00 ATOM 1126 CA ARG A 146 18.294 55.819 26.133 1.00 0.00 ATOM 1127 CB ARG A 146 17.823 54.836 27.206 1.00 0.00 ATOM 1128 CG ARG A 146 17.407 53.472 26.691 1.00 0.00 ATOM 1129 CD ARG A 146 16.184 53.572 25.773 1.00 0.00 ATOM 1130 NE ARG A 146 15.804 52.256 25.251 1.00 0.00 ATOM 1131 CZ ARG A 146 14.949 52.063 24.250 1.00 0.00 ATOM 1132 NH1 ARG A 146 14.676 50.831 23.851 1.00 0.00 ATOM 1133 NH2 ARG A 146 14.344 53.088 23.667 1.00 0.00 ATOM 1134 O ARG A 146 17.641 58.069 26.713 1.00 0.00 ATOM 1135 C ARG A 146 18.508 57.195 26.774 1.00 0.00 ATOM 1136 N GLU A 147 19.673 57.390 27.364 1.00 0.00 ATOM 1137 CA GLU A 147 19.990 58.652 28.002 1.00 0.00 ATOM 1138 CB GLU A 147 21.324 58.554 28.752 1.00 0.00 ATOM 1139 CG GLU A 147 21.765 59.919 29.293 1.00 0.00 ATOM 1140 CD GLU A 147 22.700 59.868 30.484 1.00 0.00 ATOM 1141 OE1 GLU A 147 23.280 58.800 30.762 1.00 0.00 ATOM 1142 OE2 GLU A 147 22.865 60.930 31.120 1.00 0.00 ATOM 1143 O GLU A 147 19.496 60.902 27.253 1.00 0.00 ATOM 1144 C GLU A 147 19.971 59.809 26.970 1.00 0.00 ATOM 1145 N ILE A 148 20.490 59.532 25.780 1.00 0.00 ATOM 1146 CA ILE A 148 20.508 60.492 24.662 1.00 0.00 ATOM 1147 CB ILE A 148 21.356 59.962 23.473 1.00 0.00 ATOM 1148 CG1 ILE A 148 22.837 59.799 23.876 1.00 0.00 ATOM 1149 CG2 ILE A 148 21.146 60.871 22.213 1.00 0.00 ATOM 1150 CD1 ILE A 148 23.708 59.168 22.787 1.00 0.00 ATOM 1151 O ILE A 148 18.661 61.869 24.009 1.00 0.00 ATOM 1152 C ILE A 148 19.084 60.735 24.167 1.00 0.00 ATOM 1153 N GLU A 149 18.350 59.651 23.937 1.00 0.00 ATOM 1154 CA GLU A 149 16.950 59.710 23.527 1.00 0.00 ATOM 1155 CB GLU A 149 16.350 58.291 23.473 1.00 0.00 ATOM 1156 CG GLU A 149 14.988 58.224 22.800 1.00 0.00 ATOM 1157 CD GLU A 149 14.291 56.894 23.014 1.00 0.00 ATOM 1158 OE1 GLU A 149 14.814 56.078 23.827 1.00 0.00 ATOM 1159 OE2 GLU A 149 13.228 56.692 22.400 1.00 0.00 ATOM 1160 O GLU A 149 15.089 61.176 23.955 1.00 0.00 ATOM 1161 C GLU A 149 16.071 60.588 24.424 1.00 0.00 ATOM 1162 N ASN A 150 16.418 60.634 25.702 1.00 0.00 ATOM 1163 CA ASN A 150 15.657 61.359 26.710 1.00 0.00 ATOM 1164 CB ASN A 150 15.771 60.605 28.053 1.00 0.00 ATOM 1165 CG ASN A 150 14.801 59.427 28.159 1.00 0.00 ATOM 1166 ND2 ASN A 150 15.154 58.441 28.997 1.00 0.00 ATOM 1167 OD1 ASN A 150 13.726 59.417 27.527 1.00 0.00 ATOM 1168 O ASN A 150 15.619 63.534 27.804 1.00 0.00 ATOM 1169 C ASN A 150 16.093 62.839 26.889 1.00 0.00 ATOM 1170 N GLN A 151 16.977 63.323 26.027 1.00 0.00 ATOM 1171 CA GLN A 151 17.427 64.719 26.162 1.00 0.00 ATOM 1172 CB GLN A 151 18.632 65.027 25.255 1.00 0.00 ATOM 1173 CG GLN A 151 19.957 64.513 25.759 1.00 0.00 ATOM 1174 CD GLN A 151 20.127 64.708 27.259 1.00 0.00 ATOM 1175 OE1 GLN A 151 20.199 65.839 27.732 1.00 0.00 ATOM 1176 NE2 GLN A 151 20.127 63.600 28.016 1.00 0.00 ATOM 1177 O GLN A 151 15.483 65.346 24.894 1.00 0.00 ATOM 1178 C GLN A 151 16.241 65.622 25.826 1.00 0.00 ATOM 1179 N LYS A 152 16.070 66.705 26.593 1.00 0.00 ATOM 1180 CA LYS A 152 15.170 67.788 26.150 1.00 0.00 ATOM 1181 CB LYS A 152 14.915 68.819 27.261 1.00 0.00 ATOM 1182 CG LYS A 152 13.797 69.824 26.909 1.00 0.00 ATOM 1183 CD LYS A 152 13.690 70.934 27.948 1.00 0.00 ATOM 1184 CE LYS A 152 13.065 70.437 29.242 1.00 0.00 ATOM 1185 NZ LYS A 152 11.708 69.840 29.036 1.00 0.00 ATOM 1186 O LYS A 152 16.983 68.787 24.854 1.00 0.00 ATOM 1187 C LYS A 152 15.772 68.479 24.909 1.00 0.00 ATOM 1188 N THR A 153 14.928 68.704 23.914 1.00 0.00 ATOM 1189 CA THR A 153 15.351 69.285 22.669 1.00 0.00 ATOM 1190 CB THR A 153 15.111 68.290 21.477 1.00 0.00 ATOM 1191 CG2 THR A 153 15.891 66.930 21.663 1.00 0.00 ATOM 1192 OG1 THR A 153 13.712 68.036 21.376 1.00 0.00 ATOM 1193 O THR A 153 13.666 71.037 23.021 1.00 0.00 ATOM 1194 C THR A 153 14.685 70.648 22.394 1.00 0.00 ATOM 1195 N ASP A 154 15.267 71.356 21.427 1.00 0.00 ATOM 1196 CA ASP A 154 14.812 72.654 20.957 1.00 0.00 ATOM 1197 CB ASP A 154 16.021 73.548 20.602 1.00 0.00 ATOM 1198 CG ASP A 154 16.750 73.144 19.286 1.00 0.00 ATOM 1199 OD1 ASP A 154 16.325 72.225 18.610 1.00 0.00 ATOM 1200 OD2 ASP A 154 17.811 73.745 18.961 1.00 0.00 ATOM 1201 O ASP A 154 13.348 71.374 19.575 1.00 0.00 ATOM 1202 C ASP A 154 13.837 72.479 19.793 1.00 0.00 ATOM 1203 N ALA A 155 13.532 73.556 19.072 1.00 0.00 ATOM 1204 CA ALA A 155 12.447 73.503 18.065 1.00 0.00 ATOM 1205 CB ALA A 155 11.982 74.907 17.645 1.00 0.00 ATOM 1206 O ALA A 155 11.990 72.157 16.159 1.00 0.00 ATOM 1207 C ALA A 155 12.851 72.663 16.851 1.00 0.00 ATOM 1208 N ALA A 156 14.148 72.498 16.618 1.00 0.00 ATOM 1209 CA ALA A 156 14.616 71.594 15.567 1.00 0.00 ATOM 1210 CB ALA A 156 15.811 72.208 14.848 1.00 0.00 ATOM 1211 O ALA A 156 15.673 69.467 15.378 1.00 0.00 ATOM 1212 C ALA A 156 14.971 70.183 16.076 1.00 0.00 ATOM 1213 N SER A 157 14.582 69.825 17.306 1.00 0.00 ATOM 1214 CA SER A 157 14.890 68.490 17.913 1.00 0.00 ATOM 1215 CB SER A 157 14.316 67.350 17.052 1.00 0.00 ATOM 1216 OG SER A 157 12.892 67.333 17.105 1.00 0.00 ATOM 1217 O SER A 157 16.857 67.134 18.324 1.00 0.00 ATOM 1218 C SER A 157 16.384 68.276 18.208 1.00 0.00 ATOM 1219 N LYS A 158 17.093 69.394 18.370 1.00 0.00 ATOM 1220 CA LYS A 158 18.490 69.431 18.758 1.00 0.00 ATOM 1221 CB LYS A 158 19.223 70.630 18.145 1.00 0.00 ATOM 1222 CG LYS A 158 20.736 70.661 18.452 1.00 0.00 ATOM 1223 CD LYS A 158 21.451 71.798 17.676 1.00 0.00 ATOM 1224 CE LYS A 158 22.929 71.580 17.601 1.00 0.00 ATOM 1225 NZ LYS A 158 23.467 72.002 16.277 1.00 0.00 ATOM 1226 O LYS A 158 17.930 70.471 20.841 1.00 0.00 ATOM 1227 C LYS A 158 18.534 69.550 20.264 1.00 0.00 ATOM 1228 N PRO A 159 19.271 68.642 20.913 1.00 0.00 ATOM 1229 CA PRO A 159 19.349 68.693 22.376 1.00 0.00 ATOM 1230 CB PRO A 159 20.348 67.568 22.714 1.00 0.00 ATOM 1231 CG PRO A 159 20.205 66.587 21.565 1.00 0.00 ATOM 1232 CD PRO A 159 20.033 67.509 20.367 1.00 0.00 ATOM 1233 O PRO A 159 20.810 70.639 22.393 1.00 0.00 ATOM 1234 C PRO A 159 19.842 70.042 22.917 1.00 0.00 ATOM 1235 N PHE A 160 19.189 70.506 23.978 1.00 0.00 ATOM 1236 CA PHE A 160 19.691 71.683 24.709 1.00 0.00 ATOM 1237 CB PHE A 160 18.732 72.137 25.813 1.00 0.00 ATOM 1238 CG PHE A 160 17.521 72.858 25.315 1.00 0.00 ATOM 1239 CD1 PHE A 160 17.633 73.900 24.410 1.00 0.00 ATOM 1240 CD2 PHE A 160 16.258 72.493 25.751 1.00 0.00 ATOM 1241 CE1 PHE A 160 16.508 74.545 23.932 1.00 0.00 ATOM 1242 CE2 PHE A 160 15.124 73.167 25.291 1.00 0.00 ATOM 1243 CZ PHE A 160 15.252 74.190 24.394 1.00 0.00 ATOM 1244 O PHE A 160 21.885 72.255 25.365 1.00 0.00 ATOM 1245 C PHE A 160 21.043 71.381 25.307 1.00 0.00 ATOM 1246 N ALA A 161 21.243 70.146 25.778 1.00 0.00 ATOM 1247 CA ALA A 161 22.546 69.745 26.324 1.00 0.00 ATOM 1248 CB ALA A 161 22.382 68.677 27.421 1.00 0.00 ATOM 1249 O ALA A 161 22.885 68.453 24.354 1.00 0.00 ATOM 1250 C ALA A 161 23.383 69.210 25.183 1.00 0.00 ATOM 1251 N GLU A 162 24.654 69.604 25.126 1.00 0.00 ATOM 1252 CA GLU A 162 25.547 69.089 24.092 1.00 0.00 ATOM 1253 CB GLU A 162 26.879 69.881 24.131 1.00 0.00 ATOM 1254 CG GLU A 162 28.077 69.205 23.469 1.00 0.00 ATOM 1255 CD GLU A 162 29.388 69.921 23.759 1.00 0.00 ATOM 1256 OE1 GLU A 162 30.273 69.318 24.437 1.00 0.00 ATOM 1257 OE2 GLU A 162 29.517 71.104 23.322 1.00 0.00 ATOM 1258 O GLU A 162 26.076 67.121 25.385 1.00 0.00 ATOM 1259 C GLU A 162 25.720 67.552 24.299 1.00 0.00 ATOM 1260 N VAL A 163 25.359 66.751 23.285 1.00 0.00 ATOM 1261 CA VAL A 163 25.574 65.292 23.260 1.00 0.00 ATOM 1262 CB VAL A 163 24.277 64.491 22.914 1.00 0.00 ATOM 1263 CG1 VAL A 163 24.573 62.978 22.703 1.00 0.00 ATOM 1264 CG2 VAL A 163 23.206 64.702 24.007 1.00 0.00 ATOM 1265 O VAL A 163 26.460 65.026 21.036 1.00 0.00 ATOM 1266 C VAL A 163 26.689 65.037 22.229 1.00 0.00 ATOM 1267 N ARG A 164 27.893 64.807 22.723 1.00 0.00 ATOM 1268 CA ARG A 164 29.103 64.850 21.932 1.00 0.00 ATOM 1269 CB ARG A 164 30.007 65.986 22.419 1.00 0.00 ATOM 1270 CG ARG A 164 31.057 66.424 21.383 1.00 0.00 ATOM 1271 CD ARG A 164 31.566 67.836 21.645 1.00 0.00 ATOM 1272 NE ARG A 164 32.367 67.871 22.862 1.00 0.00 ATOM 1273 O ARG A 164 29.988 62.921 23.077 1.00 0.00 ATOM 1274 C ARG A 164 29.872 63.546 22.008 1.00 0.00 ATOM 1275 N ILE A 165 30.376 63.114 20.858 1.00 0.00 ATOM 1276 CA ILE A 165 31.321 62.005 20.785 1.00 0.00 ATOM 1277 CB ILE A 165 31.319 61.337 19.362 1.00 0.00 ATOM 1278 CG1 ILE A 165 29.933 60.783 19.046 1.00 0.00 ATOM 1279 CG2 ILE A 165 32.371 60.196 19.242 1.00 0.00 ATOM 1280 CD1 ILE A 165 29.639 60.677 17.590 1.00 0.00 ATOM 1281 O ILE A 165 33.364 63.285 20.436 1.00 0.00 ATOM 1282 C ILE A 165 32.720 62.566 21.199 1.00 0.00 ATOM 1283 N LEU A 166 33.153 62.245 22.417 1.00 0.00 ATOM 1284 CA LEU A 166 34.428 62.759 22.963 1.00 0.00 ATOM 1285 CB LEU A 166 34.430 62.782 24.508 1.00 0.00 ATOM 1286 CG LEU A 166 33.564 63.842 25.217 1.00 0.00 ATOM 1287 CD1 LEU A 166 34.003 63.970 26.641 1.00 0.00 ATOM 1288 CD2 LEU A 166 33.535 65.258 24.521 1.00 0.00 ATOM 1289 O LEU A 166 36.700 62.517 22.221 1.00 0.00 ATOM 1290 C LEU A 166 35.620 61.961 22.459 1.00 0.00 ATOM 1291 N SER A 167 35.408 60.661 22.298 1.00 0.00 ATOM 1292 CA SER A 167 36.349 59.765 21.679 1.00 0.00 ATOM 1293 CB SER A 167 37.177 58.999 22.716 1.00 0.00 ATOM 1294 OG SER A 167 37.685 59.851 23.714 1.00 0.00 ATOM 1295 O SER A 167 34.384 58.472 21.122 1.00 0.00 ATOM 1296 C SER A 167 35.574 58.747 20.855 1.00 0.00 ATOM 1297 N CYS A 168 36.269 58.177 19.884 1.00 0.00 ATOM 1298 CA CYS A 168 35.726 57.107 19.027 1.00 0.00 ATOM 1299 CB CYS A 168 34.865 57.710 17.891 1.00 0.00 ATOM 1300 SG CYS A 168 35.675 59.017 16.992 1.00 0.00 ATOM 1301 O CYS A 168 38.014 56.728 18.443 1.00 0.00 ATOM 1302 C CYS A 168 36.858 56.308 18.421 1.00 0.00 ATOM 1303 N GLY A 169 36.528 55.128 17.905 1.00 0.00 ATOM 1304 CA GLY A 169 37.451 54.351 17.078 1.00 0.00 ATOM 1305 O GLY A 169 35.736 52.688 16.956 1.00 0.00 ATOM 1306 C GLY A 169 36.946 52.960 16.835 1.00 0.00 ATOM 1307 N GLU A 170 37.886 52.083 16.517 1.00 0.00 ATOM 1308 CA GLU A 170 37.600 50.701 16.215 1.00 0.00 ATOM 1309 CB GLU A 170 38.167 50.312 14.837 1.00 0.00 ATOM 1310 CG GLU A 170 37.980 48.803 14.533 1.00 0.00 ATOM 1311 CD GLU A 170 38.334 48.415 13.134 1.00 0.00 ATOM 1312 OE1 GLU A 170 39.082 49.165 12.489 1.00 0.00 ATOM 1313 OE2 GLU A 170 37.852 47.340 12.716 1.00 0.00 ATOM 1314 O GLU A 170 39.405 50.064 17.715 1.00 0.00 ATOM 1315 C GLU A 170 38.227 49.840 17.291 1.00 0.00 ATOM 1316 N LEU A 171 37.454 48.860 17.728 1.00 0.00 ATOM 1317 CA LEU A 171 37.928 47.847 18.654 1.00 0.00 ATOM 1318 CB LEU A 171 36.758 47.259 19.482 1.00 0.00 ATOM 1319 CG LEU A 171 36.048 48.183 20.519 1.00 0.00 ATOM 1320 CD1 LEU A 171 34.951 47.422 21.371 1.00 0.00 ATOM 1321 CD2 LEU A 171 37.035 48.906 21.435 1.00 0.00 ATOM 1322 O LEU A 171 38.025 45.999 17.138 1.00 0.00 ATOM 1323 C LEU A 171 38.654 46.769 17.847 1.00 0.00 ATOM 1324 N ILE A 172 39.987 46.746 17.923 1.00 0.00 ATOM 1325 CA ILE A 172 40.774 45.720 17.201 1.00 0.00 ATOM 1326 CB ILE A 172 42.197 46.202 16.796 1.00 0.00 ATOM 1327 CG1 ILE A 172 42.106 47.310 15.735 1.00 0.00 ATOM 1328 CG2 ILE A 172 43.013 45.034 16.230 1.00 0.00 ATOM 1329 CD1 ILE A 172 43.362 48.156 15.570 1.00 0.00 ATOM 1330 O ILE A 172 41.371 44.434 19.163 1.00 0.00 ATOM 1331 C ILE A 172 40.829 44.437 18.053 1.00 0.00 ATOM 1332 N PRO A 173 40.273 43.332 17.530 1.00 0.00 ATOM 1333 CA PRO A 173 40.152 42.176 18.426 1.00 0.00 ATOM 1334 CB PRO A 173 39.192 41.230 17.686 1.00 0.00 ATOM 1335 CG PRO A 173 38.948 41.834 16.315 1.00 0.00 ATOM 1336 CD PRO A 173 39.800 43.053 16.159 1.00 0.00 ATOM 1337 O PRO A 173 41.790 41.016 19.775 1.00 0.00 ATOM 1338 C PRO A 173 41.515 41.518 18.683 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 T0290.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.948 # GDT_score = -90.607 # GDT_score(maxd=8.000,maxw=2.900)= -91.108 # GDT_score(maxd=8.000,maxw=3.200)= -90.534 # GDT_score(maxd=8.000,maxw=3.500)= -89.781 # GDT_score(maxd=10.000,maxw=3.800)= -90.276 # GDT_score(maxd=10.000,maxw=4.000)= -89.561 # GDT_score(maxd=10.000,maxw=4.200)= -88.663 # GDT_score(maxd=12.000,maxw=4.300)= -89.741 # GDT_score(maxd=12.000,maxw=4.500)= -88.833 # GDT_score(maxd=12.000,maxw=4.700)= -87.578 # GDT_score(maxd=14.000,maxw=5.200)= -85.866 # GDT_score(maxd=14.000,maxw=5.500)= -83.322 # command:# ReadConformPDB reading from PDB file T0290.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.954 # GDT_score = -94.364 # GDT_score(maxd=8.000,maxw=2.900)= -94.970 # GDT_score(maxd=8.000,maxw=3.200)= -94.672 # GDT_score(maxd=8.000,maxw=3.500)= -94.267 # GDT_score(maxd=10.000,maxw=3.800)= -94.394 # GDT_score(maxd=10.000,maxw=4.000)= -94.017 # GDT_score(maxd=10.000,maxw=4.200)= -93.482 # GDT_score(maxd=12.000,maxw=4.300)= -94.019 # GDT_score(maxd=12.000,maxw=4.500)= -93.480 # GDT_score(maxd=12.000,maxw=4.700)= -92.720 # GDT_score(maxd=14.000,maxw=5.200)= -91.510 # GDT_score(maxd=14.000,maxw=5.500)= -89.616 # command:# ReadConformPDB reading from PDB file T0290.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0290.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0290.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0290 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 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0290.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 55 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 122 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0290.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_453001880.pdb -s /var/tmp/to_scwrl_453001880.seq -o /var/tmp/from_scwrl_453001880.pdb > /var/tmp/scwrl_453001880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_453001880.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 T0290 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_118971773.pdb -s /var/tmp/to_scwrl_118971773.seq -o /var/tmp/from_scwrl_118971773.pdb > /var/tmp/scwrl_118971773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_118971773.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 T0290 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1201804399.pdb -s /var/tmp/to_scwrl_1201804399.seq -o /var/tmp/from_scwrl_1201804399.pdb > /var/tmp/scwrl_1201804399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201804399.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 T0290 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_814844040.pdb -s /var/tmp/to_scwrl_814844040.seq -o /var/tmp/from_scwrl_814844040.pdb > /var/tmp/scwrl_814844040.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814844040.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 T0290 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1884011995.pdb -s /var/tmp/to_scwrl_1884011995.seq -o /var/tmp/from_scwrl_1884011995.pdb > /var/tmp/scwrl_1884011995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1884011995.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 T0290 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_163575724.pdb -s /var/tmp/to_scwrl_163575724.seq -o /var/tmp/from_scwrl_163575724.pdb > /var/tmp/scwrl_163575724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_163575724.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_813895794.pdb -s /var/tmp/to_scwrl_813895794.seq -o /var/tmp/from_scwrl_813895794.pdb > /var/tmp/scwrl_813895794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_813895794.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1219614779.pdb -s /var/tmp/to_scwrl_1219614779.seq -o /var/tmp/from_scwrl_1219614779.pdb > /var/tmp/scwrl_1219614779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219614779.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_143236816.pdb -s /var/tmp/to_scwrl_143236816.seq -o /var/tmp/from_scwrl_143236816.pdb > /var/tmp/scwrl_143236816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_143236816.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1681408102.pdb -s /var/tmp/to_scwrl_1681408102.seq -o /var/tmp/from_scwrl_1681408102.pdb > /var/tmp/scwrl_1681408102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681408102.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_RECOM_TS5-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_464151169.pdb -s /var/tmp/to_scwrl_464151169.seq -o /var/tmp/from_scwrl_464151169.pdb > /var/tmp/scwrl_464151169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_464151169.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS1-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_703953909.pdb -s /var/tmp/to_scwrl_703953909.seq -o /var/tmp/from_scwrl_703953909.pdb > /var/tmp/scwrl_703953909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_703953909.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1249875004.pdb -s /var/tmp/to_scwrl_1249875004.seq -o /var/tmp/from_scwrl_1249875004.pdb > /var/tmp/scwrl_1249875004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1249875004.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2136401230.pdb -s /var/tmp/to_scwrl_2136401230.seq -o /var/tmp/from_scwrl_2136401230.pdb > /var/tmp/scwrl_2136401230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2136401230.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1016134314.pdb -s /var/tmp/to_scwrl_1016134314.seq -o /var/tmp/from_scwrl_1016134314.pdb > /var/tmp/scwrl_1016134314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016134314.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_TS5-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_565048654.pdb -s /var/tmp/to_scwrl_565048654.seq -o /var/tmp/from_scwrl_565048654.pdb > /var/tmp/scwrl_565048654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_565048654.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 155 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_926234829.pdb -s /var/tmp/to_scwrl_926234829.seq -o /var/tmp/from_scwrl_926234829.pdb > /var/tmp/scwrl_926234829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926234829.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 171 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_987795832.pdb -s /var/tmp/to_scwrl_987795832.seq -o /var/tmp/from_scwrl_987795832.pdb > /var/tmp/scwrl_987795832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_987795832.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 164 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_105372702.pdb -s /var/tmp/to_scwrl_105372702.seq -o /var/tmp/from_scwrl_105372702.pdb > /var/tmp/scwrl_105372702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_105372702.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 159 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1718318476.pdb -s /var/tmp/to_scwrl_1718318476.seq -o /var/tmp/from_scwrl_1718318476.pdb > /var/tmp/scwrl_1718318476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718318476.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 163 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_314448138.pdb -s /var/tmp/to_scwrl_314448138.seq -o /var/tmp/from_scwrl_314448138.pdb > /var/tmp/scwrl_314448138.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_314448138.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 172 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_339561060.pdb -s /var/tmp/to_scwrl_339561060.seq -o /var/tmp/from_scwrl_339561060.pdb > /var/tmp/scwrl_339561060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_339561060.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 167 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_46774011.pdb -s /var/tmp/to_scwrl_46774011.seq -o /var/tmp/from_scwrl_46774011.pdb > /var/tmp/scwrl_46774011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_46774011.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 164 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_657888523.pdb -s /var/tmp/to_scwrl_657888523.seq -o /var/tmp/from_scwrl_657888523.pdb > /var/tmp/scwrl_657888523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_657888523.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 165 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2143563004.pdb -s /var/tmp/to_scwrl_2143563004.seq -o /var/tmp/from_scwrl_2143563004.pdb > /var/tmp/scwrl_2143563004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2143563004.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 171 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_398164061.pdb -s /var/tmp/to_scwrl_398164061.seq -o /var/tmp/from_scwrl_398164061.pdb > /var/tmp/scwrl_398164061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398164061.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 155 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1519834585.pdb -s /var/tmp/to_scwrl_1519834585.seq -o /var/tmp/from_scwrl_1519834585.pdb > /var/tmp/scwrl_1519834585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1519834585.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 155 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1788535561.pdb -s /var/tmp/to_scwrl_1788535561.seq -o /var/tmp/from_scwrl_1788535561.pdb > /var/tmp/scwrl_1788535561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1788535561.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 156 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1160102792.pdb -s /var/tmp/to_scwrl_1160102792.seq -o /var/tmp/from_scwrl_1160102792.pdb > /var/tmp/scwrl_1160102792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1160102792.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 158 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_603605697.pdb -s /var/tmp/to_scwrl_603605697.seq -o /var/tmp/from_scwrl_603605697.pdb > /var/tmp/scwrl_603605697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_603605697.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 153 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_45744273.pdb -s /var/tmp/to_scwrl_45744273.seq -o /var/tmp/from_scwrl_45744273.pdb > /var/tmp/scwrl_45744273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_45744273.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 172 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1613104672.pdb -s /var/tmp/to_scwrl_1613104672.seq -o /var/tmp/from_scwrl_1613104672.pdb > /var/tmp/scwrl_1613104672.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1613104672.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 172 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_722577470.pdb -s /var/tmp/to_scwrl_722577470.seq -o /var/tmp/from_scwrl_722577470.pdb > /var/tmp/scwrl_722577470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_722577470.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1247548673.pdb -s /var/tmp/to_scwrl_1247548673.seq -o /var/tmp/from_scwrl_1247548673.pdb > /var/tmp/scwrl_1247548673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1247548673.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_280465065.pdb -s /var/tmp/to_scwrl_280465065.seq -o /var/tmp/from_scwrl_280465065.pdb > /var/tmp/scwrl_280465065.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_280465065.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 T0290 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_459105818.pdb -s /var/tmp/to_scwrl_459105818.seq -o /var/tmp/from_scwrl_459105818.pdb > /var/tmp/scwrl_459105818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_459105818.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1411124397.pdb -s /var/tmp/to_scwrl_1411124397.seq -o /var/tmp/from_scwrl_1411124397.pdb > /var/tmp/scwrl_1411124397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411124397.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 T0290 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1094360859.pdb -s /var/tmp/to_scwrl_1094360859.seq -o /var/tmp/from_scwrl_1094360859.pdb > /var/tmp/scwrl_1094360859.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1094360859.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1678720597.pdb -s /var/tmp/to_scwrl_1678720597.seq -o /var/tmp/from_scwrl_1678720597.pdb > /var/tmp/scwrl_1678720597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678720597.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 T0290 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1554361214.pdb -s /var/tmp/to_scwrl_1554361214.seq -o /var/tmp/from_scwrl_1554361214.pdb > /var/tmp/scwrl_1554361214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1554361214.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_628285315.pdb -s /var/tmp/to_scwrl_628285315.seq -o /var/tmp/from_scwrl_628285315.pdb > /var/tmp/scwrl_628285315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_628285315.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 T0290 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2142871766.pdb -s /var/tmp/to_scwrl_2142871766.seq -o /var/tmp/from_scwrl_2142871766.pdb > /var/tmp/scwrl_2142871766.log Error: can't open any of /var/tmp/from_scwrl_2142871766.pdb or /var/tmp/from_scwrl_2142871766_b.pdb or /var/tmp/from_scwrl_2142871766_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 T0290 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_110831476.pdb -s /var/tmp/to_scwrl_110831476.seq -o /var/tmp/from_scwrl_110831476.pdb > /var/tmp/scwrl_110831476.log Error: can't open any of /var/tmp/from_scwrl_110831476.pdb or /var/tmp/from_scwrl_110831476_b.pdb or /var/tmp/from_scwrl_110831476_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 T0290 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1878160319.pdb -s /var/tmp/to_scwrl_1878160319.seq -o /var/tmp/from_scwrl_1878160319.pdb > /var/tmp/scwrl_1878160319.log Error: can't open any of /var/tmp/from_scwrl_1878160319.pdb or /var/tmp/from_scwrl_1878160319_b.pdb or /var/tmp/from_scwrl_1878160319_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 T0290 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2131789349.pdb -s /var/tmp/to_scwrl_2131789349.seq -o /var/tmp/from_scwrl_2131789349.pdb > /var/tmp/scwrl_2131789349.log Error: can't open any of /var/tmp/from_scwrl_2131789349.pdb or /var/tmp/from_scwrl_2131789349_b.pdb or /var/tmp/from_scwrl_2131789349_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 T0290 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1126965789.pdb -s /var/tmp/to_scwrl_1126965789.seq -o /var/tmp/from_scwrl_1126965789.pdb > /var/tmp/scwrl_1126965789.log Error: can't open any of /var/tmp/from_scwrl_1126965789.pdb or /var/tmp/from_scwrl_1126965789_b.pdb or /var/tmp/from_scwrl_1126965789_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 156 ; scwrl -i /var/tmp/to_scwrl_295725326.pdb -s /var/tmp/to_scwrl_295725326.seq -o /var/tmp/from_scwrl_295725326.pdb > /var/tmp/scwrl_295725326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_295725326.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 T0290 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_910540532.pdb -s /var/tmp/to_scwrl_910540532.seq -o /var/tmp/from_scwrl_910540532.pdb > /var/tmp/scwrl_910540532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_910540532.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 T0290 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2114761622.pdb -s /var/tmp/to_scwrl_2114761622.seq -o /var/tmp/from_scwrl_2114761622.pdb > /var/tmp/scwrl_2114761622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2114761622.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_401098029.pdb -s /var/tmp/to_scwrl_401098029.seq -o /var/tmp/from_scwrl_401098029.pdb > /var/tmp/scwrl_401098029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_401098029.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_481375361.pdb -s /var/tmp/to_scwrl_481375361.seq -o /var/tmp/from_scwrl_481375361.pdb > /var/tmp/scwrl_481375361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_481375361.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 172 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_281726113.pdb -s /var/tmp/to_scwrl_281726113.seq -o /var/tmp/from_scwrl_281726113.pdb > /var/tmp/scwrl_281726113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281726113.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_740659089.pdb -s /var/tmp/to_scwrl_740659089.seq -o /var/tmp/from_scwrl_740659089.pdb > /var/tmp/scwrl_740659089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_740659089.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 T0290 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_528149372.pdb -s /var/tmp/to_scwrl_528149372.seq -o /var/tmp/from_scwrl_528149372.pdb > /var/tmp/scwrl_528149372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_528149372.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 172 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_939614636.pdb -s /var/tmp/to_scwrl_939614636.seq -o /var/tmp/from_scwrl_939614636.pdb > /var/tmp/scwrl_939614636.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_939614636.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 172 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_736738447.pdb -s /var/tmp/to_scwrl_736738447.seq -o /var/tmp/from_scwrl_736738447.pdb > /var/tmp/scwrl_736738447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_736738447.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 156 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_926313434.pdb -s /var/tmp/to_scwrl_926313434.seq -o /var/tmp/from_scwrl_926313434.pdb > /var/tmp/scwrl_926313434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926313434.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 163 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_311965574.pdb -s /var/tmp/to_scwrl_311965574.seq -o /var/tmp/from_scwrl_311965574.pdb > /var/tmp/scwrl_311965574.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_311965574.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 101 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_377790361.pdb -s /var/tmp/to_scwrl_377790361.seq -o /var/tmp/from_scwrl_377790361.pdb > /var/tmp/scwrl_377790361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_377790361.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 163 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2086416226.pdb -s /var/tmp/to_scwrl_2086416226.seq -o /var/tmp/from_scwrl_2086416226.pdb > /var/tmp/scwrl_2086416226.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2086416226.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 115 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_915571271.pdb -s /var/tmp/to_scwrl_915571271.seq -o /var/tmp/from_scwrl_915571271.pdb > /var/tmp/scwrl_915571271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_915571271.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 T0290 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_423534635.pdb -s /var/tmp/to_scwrl_423534635.seq -o /var/tmp/from_scwrl_423534635.pdb > /var/tmp/scwrl_423534635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_423534635.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 T0290 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1552037251.pdb -s /var/tmp/to_scwrl_1552037251.seq -o /var/tmp/from_scwrl_1552037251.pdb > /var/tmp/scwrl_1552037251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1552037251.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 T0290 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1638148741.pdb -s /var/tmp/to_scwrl_1638148741.seq -o /var/tmp/from_scwrl_1638148741.pdb > /var/tmp/scwrl_1638148741.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1638148741.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 T0290 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1671083308.pdb -s /var/tmp/to_scwrl_1671083308.seq -o /var/tmp/from_scwrl_1671083308.pdb > /var/tmp/scwrl_1671083308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1671083308.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1832502316.pdb -s /var/tmp/to_scwrl_1832502316.seq -o /var/tmp/from_scwrl_1832502316.pdb > /var/tmp/scwrl_1832502316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1832502316.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 T0290 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2097254559.pdb -s /var/tmp/to_scwrl_2097254559.seq -o /var/tmp/from_scwrl_2097254559.pdb > /var/tmp/scwrl_2097254559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2097254559.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 T0290 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_934724059.pdb -s /var/tmp/to_scwrl_934724059.seq -o /var/tmp/from_scwrl_934724059.pdb > /var/tmp/scwrl_934724059.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_934724059.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 T0290 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_779379529.pdb -s /var/tmp/to_scwrl_779379529.seq -o /var/tmp/from_scwrl_779379529.pdb > /var/tmp/scwrl_779379529.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_779379529.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 T0290 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1628491510.pdb -s /var/tmp/to_scwrl_1628491510.seq -o /var/tmp/from_scwrl_1628491510.pdb > /var/tmp/scwrl_1628491510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1628491510.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 T0290 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_341601626.pdb -s /var/tmp/to_scwrl_341601626.seq -o /var/tmp/from_scwrl_341601626.pdb > /var/tmp/scwrl_341601626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_341601626.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 170 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1407664843.pdb -s /var/tmp/to_scwrl_1407664843.seq -o /var/tmp/from_scwrl_1407664843.pdb > /var/tmp/scwrl_1407664843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1407664843.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1623879629.pdb -s /var/tmp/to_scwrl_1623879629.seq -o /var/tmp/from_scwrl_1623879629.pdb > /var/tmp/scwrl_1623879629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1623879629.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS1-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_452433102.pdb -s /var/tmp/to_scwrl_452433102.seq -o /var/tmp/from_scwrl_452433102.pdb > /var/tmp/scwrl_452433102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_452433102.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 T0290 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1138341516.pdb -s /var/tmp/to_scwrl_1138341516.seq -o /var/tmp/from_scwrl_1138341516.pdb > /var/tmp/scwrl_1138341516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1138341516.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1608185332.pdb -s /var/tmp/to_scwrl_1608185332.seq -o /var/tmp/from_scwrl_1608185332.pdb > /var/tmp/scwrl_1608185332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1608185332.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 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1579398892.pdb -s /var/tmp/to_scwrl_1579398892.seq -o /var/tmp/from_scwrl_1579398892.pdb > /var/tmp/scwrl_1579398892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1579398892.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1434066842.pdb -s /var/tmp/to_scwrl_1434066842.seq -o /var/tmp/from_scwrl_1434066842.pdb > /var/tmp/scwrl_1434066842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434066842.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_371242217.pdb -s /var/tmp/to_scwrl_371242217.seq -o /var/tmp/from_scwrl_371242217.pdb > /var/tmp/scwrl_371242217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_371242217.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 T0290 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1546676867.pdb -s /var/tmp/to_scwrl_1546676867.seq -o /var/tmp/from_scwrl_1546676867.pdb > /var/tmp/scwrl_1546676867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1546676867.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 T0290 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1835164871.pdb -s /var/tmp/to_scwrl_1835164871.seq -o /var/tmp/from_scwrl_1835164871.pdb > /var/tmp/scwrl_1835164871.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1835164871.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 T0290 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_852617578.pdb -s /var/tmp/to_scwrl_852617578.seq -o /var/tmp/from_scwrl_852617578.pdb > /var/tmp/scwrl_852617578.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_852617578.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 172 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1828402980.pdb -s /var/tmp/to_scwrl_1828402980.seq -o /var/tmp/from_scwrl_1828402980.pdb > /var/tmp/scwrl_1828402980.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1828402980.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 171 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_428340314.pdb -s /var/tmp/to_scwrl_428340314.seq -o /var/tmp/from_scwrl_428340314.pdb > /var/tmp/scwrl_428340314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428340314.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 171 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1380766949.pdb -s /var/tmp/to_scwrl_1380766949.seq -o /var/tmp/from_scwrl_1380766949.pdb > /var/tmp/scwrl_1380766949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1380766949.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 172 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_620533969.pdb -s /var/tmp/to_scwrl_620533969.seq -o /var/tmp/from_scwrl_620533969.pdb > /var/tmp/scwrl_620533969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_620533969.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1165078760.pdb -s /var/tmp/to_scwrl_1165078760.seq -o /var/tmp/from_scwrl_1165078760.pdb > /var/tmp/scwrl_1165078760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1165078760.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_159596736.pdb -s /var/tmp/to_scwrl_159596736.seq -o /var/tmp/from_scwrl_159596736.pdb > /var/tmp/scwrl_159596736.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159596736.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS1-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_932499543.pdb -s /var/tmp/to_scwrl_932499543.seq -o /var/tmp/from_scwrl_932499543.pdb > /var/tmp/scwrl_932499543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_932499543.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS2-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1542869121.pdb -s /var/tmp/to_scwrl_1542869121.seq -o /var/tmp/from_scwrl_1542869121.pdb > /var/tmp/scwrl_1542869121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1542869121.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS3-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_98529315.pdb -s /var/tmp/to_scwrl_98529315.seq -o /var/tmp/from_scwrl_98529315.pdb > /var/tmp/scwrl_98529315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_98529315.pdb # conformation set from SCWRL output # naming current conformation Frankenstein_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1848070814.pdb -s /var/tmp/to_scwrl_1848070814.seq -o /var/tmp/from_scwrl_1848070814.pdb > /var/tmp/scwrl_1848070814.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1848070814.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 171 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1966403756.pdb -s /var/tmp/to_scwrl_1966403756.seq -o /var/tmp/from_scwrl_1966403756.pdb > /var/tmp/scwrl_1966403756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1966403756.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1650566566.pdb -s /var/tmp/to_scwrl_1650566566.seq -o /var/tmp/from_scwrl_1650566566.pdb > /var/tmp/scwrl_1650566566.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1650566566.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 154 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1338735908.pdb -s /var/tmp/to_scwrl_1338735908.seq -o /var/tmp/from_scwrl_1338735908.pdb > /var/tmp/scwrl_1338735908.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1338735908.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 97 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1490003417.pdb -s /var/tmp/to_scwrl_1490003417.seq -o /var/tmp/from_scwrl_1490003417.pdb > /var/tmp/scwrl_1490003417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1490003417.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 155 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1335585236.pdb -s /var/tmp/to_scwrl_1335585236.seq -o /var/tmp/from_scwrl_1335585236.pdb > /var/tmp/scwrl_1335585236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1335585236.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 171 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1288506820.pdb -s /var/tmp/to_scwrl_1288506820.seq -o /var/tmp/from_scwrl_1288506820.pdb > /var/tmp/scwrl_1288506820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288506820.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 171 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_277243830.pdb -s /var/tmp/to_scwrl_277243830.seq -o /var/tmp/from_scwrl_277243830.pdb > /var/tmp/scwrl_277243830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_277243830.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2114964765.pdb -s /var/tmp/to_scwrl_2114964765.seq -o /var/tmp/from_scwrl_2114964765.pdb > /var/tmp/scwrl_2114964765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2114964765.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 T0290 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_769514684.pdb -s /var/tmp/to_scwrl_769514684.seq -o /var/tmp/from_scwrl_769514684.pdb > /var/tmp/scwrl_769514684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_769514684.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_618845456.pdb -s /var/tmp/to_scwrl_618845456.seq -o /var/tmp/from_scwrl_618845456.pdb > /var/tmp/scwrl_618845456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_618845456.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1375145962.pdb -s /var/tmp/to_scwrl_1375145962.seq -o /var/tmp/from_scwrl_1375145962.pdb > /var/tmp/scwrl_1375145962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1375145962.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 T0290 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_245910667.pdb -s /var/tmp/to_scwrl_245910667.seq -o /var/tmp/from_scwrl_245910667.pdb > /var/tmp/scwrl_245910667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_245910667.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 # Found a chain break before 162 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1071278559.pdb -s /var/tmp/to_scwrl_1071278559.seq -o /var/tmp/from_scwrl_1071278559.pdb > /var/tmp/scwrl_1071278559.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1071278559.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_366003832.pdb -s /var/tmp/to_scwrl_366003832.seq -o /var/tmp/from_scwrl_366003832.pdb > /var/tmp/scwrl_366003832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_366003832.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 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1854095999.pdb -s /var/tmp/to_scwrl_1854095999.seq -o /var/tmp/from_scwrl_1854095999.pdb > /var/tmp/scwrl_1854095999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1854095999.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_503193804.pdb -s /var/tmp/to_scwrl_503193804.seq -o /var/tmp/from_scwrl_503193804.pdb > /var/tmp/scwrl_503193804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503193804.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 T0290 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1800070674.pdb -s /var/tmp/to_scwrl_1800070674.seq -o /var/tmp/from_scwrl_1800070674.pdb > /var/tmp/scwrl_1800070674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800070674.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS5-scwrl # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_77854569.pdb -s /var/tmp/to_scwrl_77854569.seq -o /var/tmp/from_scwrl_77854569.pdb > /var/tmp/scwrl_77854569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_77854569.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2049870671.pdb -s /var/tmp/to_scwrl_2049870671.seq -o /var/tmp/from_scwrl_2049870671.pdb > /var/tmp/scwrl_2049870671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2049870671.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 115 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1487751899.pdb -s /var/tmp/to_scwrl_1487751899.seq -o /var/tmp/from_scwrl_1487751899.pdb > /var/tmp/scwrl_1487751899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1487751899.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 152 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_930472147.pdb -s /var/tmp/to_scwrl_930472147.seq -o /var/tmp/from_scwrl_930472147.pdb > /var/tmp/scwrl_930472147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930472147.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 150 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1730790004.pdb -s /var/tmp/to_scwrl_1730790004.seq -o /var/tmp/from_scwrl_1730790004.pdb > /var/tmp/scwrl_1730790004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1730790004.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 170 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1916092213.pdb -s /var/tmp/to_scwrl_1916092213.seq -o /var/tmp/from_scwrl_1916092213.pdb > /var/tmp/scwrl_1916092213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1916092213.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 172 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_163755449.pdb -s /var/tmp/to_scwrl_163755449.seq -o /var/tmp/from_scwrl_163755449.pdb > /var/tmp/scwrl_163755449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_163755449.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 172 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_203840326.pdb -s /var/tmp/to_scwrl_203840326.seq -o /var/tmp/from_scwrl_203840326.pdb > /var/tmp/scwrl_203840326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_203840326.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_933687327.pdb -s /var/tmp/to_scwrl_933687327.seq -o /var/tmp/from_scwrl_933687327.pdb > /var/tmp/scwrl_933687327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_933687327.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 156 ; scwrl -i /var/tmp/to_scwrl_323352186.pdb -s /var/tmp/to_scwrl_323352186.seq -o /var/tmp/from_scwrl_323352186.pdb > /var/tmp/scwrl_323352186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_323352186.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 156 ; scwrl -i /var/tmp/to_scwrl_1136339868.pdb -s /var/tmp/to_scwrl_1136339868.seq -o /var/tmp/from_scwrl_1136339868.pdb > /var/tmp/scwrl_1136339868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1136339868.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 156 ; scwrl -i /var/tmp/to_scwrl_329072801.pdb -s /var/tmp/to_scwrl_329072801.seq -o /var/tmp/from_scwrl_329072801.pdb > /var/tmp/scwrl_329072801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_329072801.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 156 ; scwrl -i /var/tmp/to_scwrl_421881501.pdb -s /var/tmp/to_scwrl_421881501.seq -o /var/tmp/from_scwrl_421881501.pdb > /var/tmp/scwrl_421881501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_421881501.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 156 ; scwrl -i /var/tmp/to_scwrl_836927036.pdb -s /var/tmp/to_scwrl_836927036.seq -o /var/tmp/from_scwrl_836927036.pdb > /var/tmp/scwrl_836927036.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_836927036.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_147992911.pdb -s /var/tmp/to_scwrl_147992911.seq -o /var/tmp/from_scwrl_147992911.pdb > /var/tmp/scwrl_147992911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_147992911.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2072448068.pdb -s /var/tmp/to_scwrl_2072448068.seq -o /var/tmp/from_scwrl_2072448068.pdb > /var/tmp/scwrl_2072448068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072448068.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_28179297.pdb -s /var/tmp/to_scwrl_28179297.seq -o /var/tmp/from_scwrl_28179297.pdb > /var/tmp/scwrl_28179297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_28179297.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 125 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1637996328.pdb -s /var/tmp/to_scwrl_1637996328.seq -o /var/tmp/from_scwrl_1637996328.pdb > /var/tmp/scwrl_1637996328.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1637996328.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 123 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1260549657.pdb -s /var/tmp/to_scwrl_1260549657.seq -o /var/tmp/from_scwrl_1260549657.pdb > /var/tmp/scwrl_1260549657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1260549657.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1316686118.pdb -s /var/tmp/to_scwrl_1316686118.seq -o /var/tmp/from_scwrl_1316686118.pdb > /var/tmp/scwrl_1316686118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1316686118.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1915240158.pdb -s /var/tmp/to_scwrl_1915240158.seq -o /var/tmp/from_scwrl_1915240158.pdb > /var/tmp/scwrl_1915240158.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1915240158.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1228030775.pdb -s /var/tmp/to_scwrl_1228030775.seq -o /var/tmp/from_scwrl_1228030775.pdb > /var/tmp/scwrl_1228030775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228030775.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2086200802.pdb -s /var/tmp/to_scwrl_2086200802.seq -o /var/tmp/from_scwrl_2086200802.pdb > /var/tmp/scwrl_2086200802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2086200802.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_386601968.pdb -s /var/tmp/to_scwrl_386601968.seq -o /var/tmp/from_scwrl_386601968.pdb > /var/tmp/scwrl_386601968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_386601968.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_455693091.pdb -s /var/tmp/to_scwrl_455693091.seq -o /var/tmp/from_scwrl_455693091.pdb > /var/tmp/scwrl_455693091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_455693091.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 T0290 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 156 ; scwrl -i /var/tmp/to_scwrl_184627822.pdb -s /var/tmp/to_scwrl_184627822.seq -o /var/tmp/from_scwrl_184627822.pdb > /var/tmp/scwrl_184627822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_184627822.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1457880526.pdb -s /var/tmp/to_scwrl_1457880526.seq -o /var/tmp/from_scwrl_1457880526.pdb > /var/tmp/scwrl_1457880526.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457880526.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_821696923.pdb -s /var/tmp/to_scwrl_821696923.seq -o /var/tmp/from_scwrl_821696923.pdb > /var/tmp/scwrl_821696923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_821696923.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2038723821.pdb -s /var/tmp/to_scwrl_2038723821.seq -o /var/tmp/from_scwrl_2038723821.pdb > /var/tmp/scwrl_2038723821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2038723821.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1961074330.pdb -s /var/tmp/to_scwrl_1961074330.seq -o /var/tmp/from_scwrl_1961074330.pdb > /var/tmp/scwrl_1961074330.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961074330.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_474283951.pdb -s /var/tmp/to_scwrl_474283951.seq -o /var/tmp/from_scwrl_474283951.pdb > /var/tmp/scwrl_474283951.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_474283951.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 T0290 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2116578390.pdb -s /var/tmp/to_scwrl_2116578390.seq -o /var/tmp/from_scwrl_2116578390.pdb > /var/tmp/scwrl_2116578390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2116578390.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 T0290 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1863461354.pdb -s /var/tmp/to_scwrl_1863461354.seq -o /var/tmp/from_scwrl_1863461354.pdb > /var/tmp/scwrl_1863461354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1863461354.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 T0290 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1962035850.pdb -s /var/tmp/to_scwrl_1962035850.seq -o /var/tmp/from_scwrl_1962035850.pdb > /var/tmp/scwrl_1962035850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1962035850.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_899566890.pdb -s /var/tmp/to_scwrl_899566890.seq -o /var/tmp/from_scwrl_899566890.pdb > /var/tmp/scwrl_899566890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_899566890.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 112 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1446767711.pdb -s /var/tmp/to_scwrl_1446767711.seq -o /var/tmp/from_scwrl_1446767711.pdb > /var/tmp/scwrl_1446767711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1446767711.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 154 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1730644416.pdb -s /var/tmp/to_scwrl_1730644416.seq -o /var/tmp/from_scwrl_1730644416.pdb > /var/tmp/scwrl_1730644416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1730644416.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 156 ; scwrl -i /var/tmp/to_scwrl_1063322340.pdb -s /var/tmp/to_scwrl_1063322340.seq -o /var/tmp/from_scwrl_1063322340.pdb > /var/tmp/scwrl_1063322340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1063322340.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 140 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1650608037.pdb -s /var/tmp/to_scwrl_1650608037.seq -o /var/tmp/from_scwrl_1650608037.pdb > /var/tmp/scwrl_1650608037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1650608037.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 163 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_516848096.pdb -s /var/tmp/to_scwrl_516848096.seq -o /var/tmp/from_scwrl_516848096.pdb > /var/tmp/scwrl_516848096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516848096.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 155 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1386674525.pdb -s /var/tmp/to_scwrl_1386674525.seq -o /var/tmp/from_scwrl_1386674525.pdb > /var/tmp/scwrl_1386674525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386674525.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 125 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_639464259.pdb -s /var/tmp/to_scwrl_639464259.seq -o /var/tmp/from_scwrl_639464259.pdb > /var/tmp/scwrl_639464259.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639464259.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 95 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_845920897.pdb -s /var/tmp/to_scwrl_845920897.seq -o /var/tmp/from_scwrl_845920897.pdb > /var/tmp/scwrl_845920897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_845920897.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 164 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1808556026.pdb -s /var/tmp/to_scwrl_1808556026.seq -o /var/tmp/from_scwrl_1808556026.pdb > /var/tmp/scwrl_1808556026.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1808556026.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 165 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1476391295.pdb -s /var/tmp/to_scwrl_1476391295.seq -o /var/tmp/from_scwrl_1476391295.pdb > /var/tmp/scwrl_1476391295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1476391295.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 155 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_993913808.pdb -s /var/tmp/to_scwrl_993913808.seq -o /var/tmp/from_scwrl_993913808.pdb > /var/tmp/scwrl_993913808.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_993913808.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 163 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1733520447.pdb -s /var/tmp/to_scwrl_1733520447.seq -o /var/tmp/from_scwrl_1733520447.pdb > /var/tmp/scwrl_1733520447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1733520447.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 155 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1504570592.pdb -s /var/tmp/to_scwrl_1504570592.seq -o /var/tmp/from_scwrl_1504570592.pdb > /var/tmp/scwrl_1504570592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1504570592.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 172 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_484426490.pdb -s /var/tmp/to_scwrl_484426490.seq -o /var/tmp/from_scwrl_484426490.pdb > /var/tmp/scwrl_484426490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_484426490.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 167 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_846586458.pdb -s /var/tmp/to_scwrl_846586458.seq -o /var/tmp/from_scwrl_846586458.pdb > /var/tmp/scwrl_846586458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_846586458.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 170 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_673773064.pdb -s /var/tmp/to_scwrl_673773064.seq -o /var/tmp/from_scwrl_673773064.pdb > /var/tmp/scwrl_673773064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_673773064.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 122 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_252183001.pdb -s /var/tmp/to_scwrl_252183001.seq -o /var/tmp/from_scwrl_252183001.pdb > /var/tmp/scwrl_252183001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_252183001.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 # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2074617234.pdb -s /var/tmp/to_scwrl_2074617234.seq -o /var/tmp/from_scwrl_2074617234.pdb > /var/tmp/scwrl_2074617234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2074617234.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_612490220.pdb -s /var/tmp/to_scwrl_612490220.seq -o /var/tmp/from_scwrl_612490220.pdb > /var/tmp/scwrl_612490220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612490220.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 163 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_638784969.pdb -s /var/tmp/to_scwrl_638784969.seq -o /var/tmp/from_scwrl_638784969.pdb > /var/tmp/scwrl_638784969.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_638784969.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 152 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_382826678.pdb -s /var/tmp/to_scwrl_382826678.seq -o /var/tmp/from_scwrl_382826678.pdb > /var/tmp/scwrl_382826678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_382826678.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 172 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_797118042.pdb -s /var/tmp/to_scwrl_797118042.seq -o /var/tmp/from_scwrl_797118042.pdb > /var/tmp/scwrl_797118042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_797118042.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 155 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2096665495.pdb -s /var/tmp/to_scwrl_2096665495.seq -o /var/tmp/from_scwrl_2096665495.pdb > /var/tmp/scwrl_2096665495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2096665495.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS3-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1204523601.pdb -s /var/tmp/to_scwrl_1204523601.seq -o /var/tmp/from_scwrl_1204523601.pdb > /var/tmp/scwrl_1204523601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204523601.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS4-scwrl # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_688358217.pdb -s /var/tmp/to_scwrl_688358217.seq -o /var/tmp/from_scwrl_688358217.pdb > /var/tmp/scwrl_688358217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_688358217.pdb # conformation set from SCWRL output # naming current conformation ROKKY_TS5-scwrl # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1910256178.pdb -s /var/tmp/to_scwrl_1910256178.seq -o /var/tmp/from_scwrl_1910256178.pdb > /var/tmp/scwrl_1910256178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1910256178.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 T0290 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1678807552.pdb -s /var/tmp/to_scwrl_1678807552.seq -o /var/tmp/from_scwrl_1678807552.pdb > /var/tmp/scwrl_1678807552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1678807552.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 T0290 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_657452960.pdb -s /var/tmp/to_scwrl_657452960.seq -o /var/tmp/from_scwrl_657452960.pdb > /var/tmp/scwrl_657452960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_657452960.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 T0290 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1626233885.pdb -s /var/tmp/to_scwrl_1626233885.seq -o /var/tmp/from_scwrl_1626233885.pdb > /var/tmp/scwrl_1626233885.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1626233885.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1493359755.pdb -s /var/tmp/to_scwrl_1493359755.seq -o /var/tmp/from_scwrl_1493359755.pdb > /var/tmp/scwrl_1493359755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1493359755.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 T0290 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1557019850.pdb -s /var/tmp/to_scwrl_1557019850.seq -o /var/tmp/from_scwrl_1557019850.pdb > /var/tmp/scwrl_1557019850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557019850.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 T0290 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 156 ; scwrl -i /var/tmp/to_scwrl_925517950.pdb -s /var/tmp/to_scwrl_925517950.seq -o /var/tmp/from_scwrl_925517950.pdb > /var/tmp/scwrl_925517950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_925517950.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 T0290 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1076520524.pdb -s /var/tmp/to_scwrl_1076520524.seq -o /var/tmp/from_scwrl_1076520524.pdb > /var/tmp/scwrl_1076520524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1076520524.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 T0290 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_472858543.pdb -s /var/tmp/to_scwrl_472858543.seq -o /var/tmp/from_scwrl_472858543.pdb > /var/tmp/scwrl_472858543.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_472858543.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 T0290 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_428642340.pdb -s /var/tmp/to_scwrl_428642340.seq -o /var/tmp/from_scwrl_428642340.pdb > /var/tmp/scwrl_428642340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428642340.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 157 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1593368620.pdb -s /var/tmp/to_scwrl_1593368620.seq -o /var/tmp/from_scwrl_1593368620.pdb > /var/tmp/scwrl_1593368620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593368620.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 T0290 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1859533068.pdb -s /var/tmp/to_scwrl_1859533068.seq -o /var/tmp/from_scwrl_1859533068.pdb > /var/tmp/scwrl_1859533068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1859533068.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 T0290 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1068106600.pdb -s /var/tmp/to_scwrl_1068106600.seq -o /var/tmp/from_scwrl_1068106600.pdb > /var/tmp/scwrl_1068106600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1068106600.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 T0290 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_291805870.pdb -s /var/tmp/to_scwrl_291805870.seq -o /var/tmp/from_scwrl_291805870.pdb > /var/tmp/scwrl_291805870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_291805870.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 T0290 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1520605447.pdb -s /var/tmp/to_scwrl_1520605447.seq -o /var/tmp/from_scwrl_1520605447.pdb > /var/tmp/scwrl_1520605447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1520605447.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 140 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_397014248.pdb -s /var/tmp/to_scwrl_397014248.seq -o /var/tmp/from_scwrl_397014248.pdb > /var/tmp/scwrl_397014248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_397014248.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 163 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1285719678.pdb -s /var/tmp/to_scwrl_1285719678.seq -o /var/tmp/from_scwrl_1285719678.pdb > /var/tmp/scwrl_1285719678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1285719678.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 169 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1106642248.pdb -s /var/tmp/to_scwrl_1106642248.seq -o /var/tmp/from_scwrl_1106642248.pdb > /var/tmp/scwrl_1106642248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1106642248.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 112 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1901584840.pdb -s /var/tmp/to_scwrl_1901584840.seq -o /var/tmp/from_scwrl_1901584840.pdb > /var/tmp/scwrl_1901584840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1901584840.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 156 ; scwrl -i /var/tmp/to_scwrl_1770146168.pdb -s /var/tmp/to_scwrl_1770146168.seq -o /var/tmp/from_scwrl_1770146168.pdb > /var/tmp/scwrl_1770146168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1770146168.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 140 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1953228706.pdb -s /var/tmp/to_scwrl_1953228706.seq -o /var/tmp/from_scwrl_1953228706.pdb > /var/tmp/scwrl_1953228706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1953228706.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 163 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_427874258.pdb -s /var/tmp/to_scwrl_427874258.seq -o /var/tmp/from_scwrl_427874258.pdb > /var/tmp/scwrl_427874258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_427874258.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 154 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2022329169.pdb -s /var/tmp/to_scwrl_2022329169.seq -o /var/tmp/from_scwrl_2022329169.pdb > /var/tmp/scwrl_2022329169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2022329169.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 169 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1880362293.pdb -s /var/tmp/to_scwrl_1880362293.seq -o /var/tmp/from_scwrl_1880362293.pdb > /var/tmp/scwrl_1880362293.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1880362293.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 114 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1040364478.pdb -s /var/tmp/to_scwrl_1040364478.seq -o /var/tmp/from_scwrl_1040364478.pdb > /var/tmp/scwrl_1040364478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1040364478.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 140 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_513630492.pdb -s /var/tmp/to_scwrl_513630492.seq -o /var/tmp/from_scwrl_513630492.pdb > /var/tmp/scwrl_513630492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_513630492.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 163 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_115705325.pdb -s /var/tmp/to_scwrl_115705325.seq -o /var/tmp/from_scwrl_115705325.pdb > /var/tmp/scwrl_115705325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115705325.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 170 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1837482519.pdb -s /var/tmp/to_scwrl_1837482519.seq -o /var/tmp/from_scwrl_1837482519.pdb > /var/tmp/scwrl_1837482519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1837482519.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 112 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_462812340.pdb -s /var/tmp/to_scwrl_462812340.seq -o /var/tmp/from_scwrl_462812340.pdb > /var/tmp/scwrl_462812340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_462812340.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 124 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1320228926.pdb -s /var/tmp/to_scwrl_1320228926.seq -o /var/tmp/from_scwrl_1320228926.pdb > /var/tmp/scwrl_1320228926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1320228926.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 T0290 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 156 ; scwrl -i /var/tmp/to_scwrl_378357089.pdb -s /var/tmp/to_scwrl_378357089.seq -o /var/tmp/from_scwrl_378357089.pdb > /var/tmp/scwrl_378357089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378357089.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 T0290 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_225584872.pdb -s /var/tmp/to_scwrl_225584872.seq -o /var/tmp/from_scwrl_225584872.pdb > /var/tmp/scwrl_225584872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_225584872.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 T0290 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_851552832.pdb -s /var/tmp/to_scwrl_851552832.seq -o /var/tmp/from_scwrl_851552832.pdb > /var/tmp/scwrl_851552832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_851552832.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1035810050.pdb -s /var/tmp/to_scwrl_1035810050.seq -o /var/tmp/from_scwrl_1035810050.pdb > /var/tmp/scwrl_1035810050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1035810050.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 T0290 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1851818757.pdb -s /var/tmp/to_scwrl_1851818757.seq -o /var/tmp/from_scwrl_1851818757.pdb > /var/tmp/scwrl_1851818757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851818757.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 T0290 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 156 ; scwrl -i /var/tmp/to_scwrl_197428940.pdb -s /var/tmp/to_scwrl_197428940.seq -o /var/tmp/from_scwrl_197428940.pdb > /var/tmp/scwrl_197428940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_197428940.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 T0290 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 156 ; scwrl -i /var/tmp/to_scwrl_445346253.pdb -s /var/tmp/to_scwrl_445346253.seq -o /var/tmp/from_scwrl_445346253.pdb > /var/tmp/scwrl_445346253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_445346253.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 T0290 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_629853061.pdb -s /var/tmp/to_scwrl_629853061.seq -o /var/tmp/from_scwrl_629853061.pdb > /var/tmp/scwrl_629853061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_629853061.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 T0290 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1273949464.pdb -s /var/tmp/to_scwrl_1273949464.seq -o /var/tmp/from_scwrl_1273949464.pdb > /var/tmp/scwrl_1273949464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1273949464.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 T0290 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_918204796.pdb -s /var/tmp/to_scwrl_918204796.seq -o /var/tmp/from_scwrl_918204796.pdb > /var/tmp/scwrl_918204796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918204796.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 T0290 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1058495401.pdb -s /var/tmp/to_scwrl_1058495401.seq -o /var/tmp/from_scwrl_1058495401.pdb > /var/tmp/scwrl_1058495401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1058495401.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 171 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_719834438.pdb -s /var/tmp/to_scwrl_719834438.seq -o /var/tmp/from_scwrl_719834438.pdb > /var/tmp/scwrl_719834438.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_719834438.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 155 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_630254217.pdb -s /var/tmp/to_scwrl_630254217.seq -o /var/tmp/from_scwrl_630254217.pdb > /var/tmp/scwrl_630254217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_630254217.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 155 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2126602000.pdb -s /var/tmp/to_scwrl_2126602000.seq -o /var/tmp/from_scwrl_2126602000.pdb > /var/tmp/scwrl_2126602000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2126602000.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 163 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1011640308.pdb -s /var/tmp/to_scwrl_1011640308.seq -o /var/tmp/from_scwrl_1011640308.pdb > /var/tmp/scwrl_1011640308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1011640308.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 155 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_3376017.pdb -s /var/tmp/to_scwrl_3376017.seq -o /var/tmp/from_scwrl_3376017.pdb > /var/tmp/scwrl_3376017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_3376017.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 172 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_376132601.pdb -s /var/tmp/to_scwrl_376132601.seq -o /var/tmp/from_scwrl_376132601.pdb > /var/tmp/scwrl_376132601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_376132601.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_149876339.pdb -s /var/tmp/to_scwrl_149876339.seq -o /var/tmp/from_scwrl_149876339.pdb > /var/tmp/scwrl_149876339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_149876339.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 T0290 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1110018265.pdb -s /var/tmp/to_scwrl_1110018265.seq -o /var/tmp/from_scwrl_1110018265.pdb > /var/tmp/scwrl_1110018265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1110018265.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 T0290 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_130233795.pdb -s /var/tmp/to_scwrl_130233795.seq -o /var/tmp/from_scwrl_130233795.pdb > /var/tmp/scwrl_130233795.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_130233795.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 T0290 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1920022507.pdb -s /var/tmp/to_scwrl_1920022507.seq -o /var/tmp/from_scwrl_1920022507.pdb > /var/tmp/scwrl_1920022507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1920022507.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 T0290 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_915763326.pdb -s /var/tmp/to_scwrl_915763326.seq -o /var/tmp/from_scwrl_915763326.pdb > /var/tmp/scwrl_915763326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_915763326.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 T0290 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_558108053.pdb -s /var/tmp/to_scwrl_558108053.seq -o /var/tmp/from_scwrl_558108053.pdb > /var/tmp/scwrl_558108053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_558108053.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1794868030.pdb -s /var/tmp/to_scwrl_1794868030.seq -o /var/tmp/from_scwrl_1794868030.pdb > /var/tmp/scwrl_1794868030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1794868030.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 T0290 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_648641972.pdb -s /var/tmp/to_scwrl_648641972.seq -o /var/tmp/from_scwrl_648641972.pdb > /var/tmp/scwrl_648641972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_648641972.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 T0290 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1598472530.pdb -s /var/tmp/to_scwrl_1598472530.seq -o /var/tmp/from_scwrl_1598472530.pdb > /var/tmp/scwrl_1598472530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598472530.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 T0290 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_161014875.pdb -s /var/tmp/to_scwrl_161014875.seq -o /var/tmp/from_scwrl_161014875.pdb > /var/tmp/scwrl_161014875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161014875.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 T0290 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_764347297.pdb -s /var/tmp/to_scwrl_764347297.seq -o /var/tmp/from_scwrl_764347297.pdb > /var/tmp/scwrl_764347297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_764347297.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 155 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1288471402.pdb -s /var/tmp/to_scwrl_1288471402.seq -o /var/tmp/from_scwrl_1288471402.pdb > /var/tmp/scwrl_1288471402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1288471402.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 155 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_623827215.pdb -s /var/tmp/to_scwrl_623827215.seq -o /var/tmp/from_scwrl_623827215.pdb > /var/tmp/scwrl_623827215.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_623827215.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 155 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_2084576223.pdb -s /var/tmp/to_scwrl_2084576223.seq -o /var/tmp/from_scwrl_2084576223.pdb > /var/tmp/scwrl_2084576223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2084576223.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 155 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1666828492.pdb -s /var/tmp/to_scwrl_1666828492.seq -o /var/tmp/from_scwrl_1666828492.pdb > /var/tmp/scwrl_1666828492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1666828492.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 155 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_849412087.pdb -s /var/tmp/to_scwrl_849412087.seq -o /var/tmp/from_scwrl_849412087.pdb > /var/tmp/scwrl_849412087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_849412087.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 170 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_788645408.pdb -s /var/tmp/to_scwrl_788645408.seq -o /var/tmp/from_scwrl_788645408.pdb > /var/tmp/scwrl_788645408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_788645408.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 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 156 ; scwrl -i /var/tmp/to_scwrl_555154895.pdb -s /var/tmp/to_scwrl_555154895.seq -o /var/tmp/from_scwrl_555154895.pdb > /var/tmp/scwrl_555154895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_555154895.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_553747198.pdb -s /var/tmp/to_scwrl_553747198.seq -o /var/tmp/from_scwrl_553747198.pdb > /var/tmp/scwrl_553747198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_553747198.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 T0290 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_986074348.pdb -s /var/tmp/to_scwrl_986074348.seq -o /var/tmp/from_scwrl_986074348.pdb > /var/tmp/scwrl_986074348.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_986074348.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0290 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1000501148.pdb -s /var/tmp/to_scwrl_1000501148.seq -o /var/tmp/from_scwrl_1000501148.pdb > /var/tmp/scwrl_1000501148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1000501148.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 T0290 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 156 ; scwrl -i /var/tmp/to_scwrl_1183600258.pdb -s /var/tmp/to_scwrl_1183600258.seq -o /var/tmp/from_scwrl_1183600258.pdb > /var/tmp/scwrl_1183600258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1183600258.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 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_112540165.pdb -s /var/tmp/to_scwrl_112540165.seq -o /var/tmp/from_scwrl_112540165.pdb > /var/tmp/scwrl_112540165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_112540165.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 125 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1918705943.pdb -s /var/tmp/to_scwrl_1918705943.seq -o /var/tmp/from_scwrl_1918705943.pdb > /var/tmp/scwrl_1918705943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1918705943.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 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_94612012.pdb -s /var/tmp/to_scwrl_94612012.seq -o /var/tmp/from_scwrl_94612012.pdb > /var/tmp/scwrl_94612012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_94612012.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 156 ; scwrl -i /var/tmp/to_scwrl_832374603.pdb -s /var/tmp/to_scwrl_832374603.seq -o /var/tmp/from_scwrl_832374603.pdb > /var/tmp/scwrl_832374603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_832374603.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 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_401476513.pdb -s /var/tmp/to_scwrl_401476513.seq -o /var/tmp/from_scwrl_401476513.pdb > /var/tmp/scwrl_401476513.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_401476513.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 T0290 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_73730366.pdb -s /var/tmp/to_scwrl_73730366.seq -o /var/tmp/from_scwrl_73730366.pdb > /var/tmp/scwrl_73730366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_73730366.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 T0290 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1844014911.pdb -s /var/tmp/to_scwrl_1844014911.seq -o /var/tmp/from_scwrl_1844014911.pdb > /var/tmp/scwrl_1844014911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1844014911.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 T0290 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_404852530.pdb -s /var/tmp/to_scwrl_404852530.seq -o /var/tmp/from_scwrl_404852530.pdb > /var/tmp/scwrl_404852530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_404852530.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 T0290 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_449862967.pdb -s /var/tmp/to_scwrl_449862967.seq -o /var/tmp/from_scwrl_449862967.pdb > /var/tmp/scwrl_449862967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_449862967.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 T0290 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1993891250.pdb -s /var/tmp/to_scwrl_1993891250.seq -o /var/tmp/from_scwrl_1993891250.pdb > /var/tmp/scwrl_1993891250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1993891250.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 T0290 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_1514870796.pdb -s /var/tmp/to_scwrl_1514870796.seq -o /var/tmp/from_scwrl_1514870796.pdb > /var/tmp/scwrl_1514870796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1514870796.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 T0290 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 156 ; scwrl -i /var/tmp/to_scwrl_580096762.pdb -s /var/tmp/to_scwrl_580096762.seq -o /var/tmp/from_scwrl_580096762.pdb > /var/tmp/scwrl_580096762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_580096762.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 39.246 sec, elapsed time= 1066.462 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 353.183 real_cost = -357.471 shub_TS1 costs 361.341 real_cost = -356.526 nFOLD_TS5-scwrl costs 770.934 real_cost = 394.430 nFOLD_TS5 costs 8540.039 real_cost = 456.309 nFOLD_TS4-scwrl costs 878.651 real_cost = 420.678 nFOLD_TS4 costs 13057.414 real_cost = 476.479 nFOLD_TS3-scwrl costs 583.854 real_cost = -99.453 nFOLD_TS3 costs 8895.282 real_cost = -46.197 nFOLD_TS2-scwrl costs 459.412 real_cost = -64.138 nFOLD_TS2 costs 13139.198 real_cost = 19.666 nFOLD_TS1-scwrl costs 450.861 real_cost = -275.435 nFOLD_TS1 costs 19839.088 real_cost = -175.076 mGen-3D_TS1-scwrl costs 452.127 real_cost = -275.082 mGen-3D_TS1 costs 19705.949 real_cost = -175.669 keasar-server_TS5-scwrl costs 367.420 real_cost = -246.835 keasar-server_TS5 costs 394.302 real_cost = -242.387 keasar-server_TS4-scwrl costs 359.534 real_cost = -305.402 keasar-server_TS4 costs 377.166 real_cost = -297.754 keasar-server_TS3-scwrl costs 371.426 real_cost = -241.114 keasar-server_TS3 costs 399.065 real_cost = -233.784 keasar-server_TS2-scwrl costs 363.456 real_cost = -250.744 keasar-server_TS2 costs 390.199 real_cost = -244.655 keasar-server_TS1-scwrl costs 371.426 real_cost = -241.114 keasar-server_TS1 costs 399.065 real_cost = -233.784 karypis.srv_TS5-scwrl costs 457.046 real_cost = -208.829 karypis.srv_TS5 costs 456.091 real_cost = -208.365 karypis.srv_TS4-scwrl costs 373.092 real_cost = -283.072 karypis.srv_TS4 costs 364.712 real_cost = -289.734 karypis.srv_TS3-scwrl costs 377.190 real_cost = -281.618 karypis.srv_TS3 costs 367.384 real_cost = -286.350 karypis.srv_TS2-scwrl costs 362.402 real_cost = -310.240 karypis.srv_TS2 costs 361.460 real_cost = -309.781 karypis.srv_TS1-scwrl costs 351.817 real_cost = -358.977 karypis.srv_TS1 costs 352.070 real_cost = -360.127 karypis.srv.4_TS1-scwrl costs 619.421 real_cost = 323.142 karypis.srv.4_TS1 costs 619.421 real_cost = 323.142 karypis.srv.2_TS5-scwrl costs 346.434 real_cost = -370.303 karypis.srv.2_TS5 costs 346.434 real_cost = -370.303 karypis.srv.2_TS4-scwrl costs 348.453 real_cost = -352.036 karypis.srv.2_TS4 costs 348.256 real_cost = -352.136 karypis.srv.2_TS3-scwrl costs 354.932 real_cost = -261.210 karypis.srv.2_TS3 costs 354.591 real_cost = -261.218 karypis.srv.2_TS2-scwrl costs 346.003 real_cost = -369.300 karypis.srv.2_TS2 costs 345.837 real_cost = -369.341 karypis.srv.2_TS1-scwrl costs 346.434 real_cost = -370.303 karypis.srv.2_TS1 costs 346.425 real_cost = -371.457 gtg_AL5-scwrl costs 445.654 real_cost = -305.387 gtg_AL5 costs 63046.843 real_cost = -156.257 gtg_AL4-scwrl costs 492.042 real_cost = -267.001 gtg_AL4 costs 20181.625 real_cost = -130.307 gtg_AL3-scwrl costs 441.351 real_cost = -296.149 gtg_AL3 costs 33506.434 real_cost = -153.856 gtg_AL2-scwrl costs 437.837 real_cost = -306.733 gtg_AL2 costs 44973.783 real_cost = -155.899 gtg_AL1-scwrl costs 376.486 real_cost = -363.391 gtg_AL1 costs 39206.534 real_cost = -247.572 forecast-s_AL5-scwrl costs 877.634 real_cost = 433.061 forecast-s_AL5 costs 66074.522 real_cost = 515.987 forecast-s_AL4-scwrl costs 806.189 real_cost = 402.012 forecast-s_AL4 costs 69107.583 real_cost = 492.565 forecast-s_AL3-scwrl costs 745.881 real_cost = 394.461 forecast-s_AL3 costs 65471.348 real_cost = 497.211 forecast-s_AL2-scwrl costs 571.909 real_cost = -39.729 forecast-s_AL2 costs 27112.605 real_cost = 55.975 forecast-s_AL1-scwrl costs 437.723 real_cost = -287.413 forecast-s_AL1 costs 27010.948 real_cost = -163.570 beautshotbase_TS1-scwrl costs 372.944 real_cost = -337.989 beautshotbase_TS1 costs 377.317 real_cost = -334.520 beautshot_TS1-scwrl costs 368.397 real_cost = -323.539 beautshot_TS1 costs 371.060 real_cost = -322.032 Zhang-Server_TS5-scwrl costs 338.878 real_cost = -366.102 Zhang-Server_TS5 costs 346.665 real_cost = -380.252 Zhang-Server_TS4-scwrl costs 343.537 real_cost = -365.119 Zhang-Server_TS4 costs 350.921 real_cost = -376.414 Zhang-Server_TS3-scwrl costs 340.820 real_cost = -360.408 Zhang-Server_TS3 costs 348.354 real_cost = -367.358 Zhang-Server_TS2-scwrl costs 339.496 real_cost = -367.268 Zhang-Server_TS2 costs 349.239 real_cost = -369.309 Zhang-Server_TS1-scwrl costs 339.215 real_cost = -362.904 Zhang-Server_TS1 costs 350.927 real_cost = -360.662 UNI-EID_sfst_AL5-scwrl costs 431.582 real_cost = -254.306 UNI-EID_sfst_AL5 costs 52657.714 real_cost = -137.697 UNI-EID_sfst_AL4-scwrl costs 388.157 real_cost = -363.954 UNI-EID_sfst_AL4 costs 29737.154 real_cost = -257.558 UNI-EID_sfst_AL3-scwrl costs 408.031 real_cost = -292.510 UNI-EID_sfst_AL3 costs 51579.299 real_cost = -167.326 UNI-EID_sfst_AL2-scwrl costs 478.588 real_cost = -287.369 UNI-EID_sfst_AL2 costs 35420.259 real_cost = -173.225 UNI-EID_sfst_AL1-scwrl costs 366.242 real_cost = -362.355 UNI-EID_sfst_AL1 costs 39103.523 real_cost = -244.830 UNI-EID_expm_TS1-scwrl costs 1000.400 real_cost = -224.461 UNI-EID_expm_TS1 costs 17624.341 real_cost = -224.520 UNI-EID_bnmx_TS5-scwrl costs 431.582 real_cost = -254.306 UNI-EID_bnmx_TS5 costs 52657.714 real_cost = -137.697 UNI-EID_bnmx_TS4-scwrl costs 368.593 real_cost = -374.291 UNI-EID_bnmx_TS4 costs 27544.120 real_cost = -266.297 UNI-EID_bnmx_TS3-scwrl costs 408.031 real_cost = -292.510 UNI-EID_bnmx_TS3 costs 51579.299 real_cost = -167.326 UNI-EID_bnmx_TS2-scwrl costs 478.588 real_cost = -287.369 UNI-EID_bnmx_TS2 costs 35420.259 real_cost = -173.225 UNI-EID_bnmx_TS1-scwrl costs 366.242 real_cost = -362.355 UNI-EID_bnmx_TS1 costs 39103.523 real_cost = -244.830 SPARKS2_TS5-scwrl costs 342.605 real_cost = -367.853 SPARKS2_TS5 costs 348.492 real_cost = -382.202 SPARKS2_TS4-scwrl costs 359.521 real_cost = -141.239 SPARKS2_TS4 costs 365.650 real_cost = -144.206 SPARKS2_TS3-scwrl costs 374.672 real_cost = -90.677 SPARKS2_TS3 costs 378.399 real_cost = -95.415 SPARKS2_TS2-scwrl costs 364.880 real_cost = -120.081 SPARKS2_TS2 costs 367.445 real_cost = -128.829 SPARKS2_TS1-scwrl costs 355.581 real_cost = -256.108 SPARKS2_TS1 costs 365.884 real_cost = -256.621 SP4_TS5-scwrl costs 361.757 real_cost = -146.577 SP4_TS5 costs 368.222 real_cost = -144.140 SP4_TS4-scwrl costs 374.347 real_cost = -83.392 SP4_TS4 costs 379.536 real_cost = -88.533 SP4_TS3-scwrl costs 341.805 real_cost = -365.695 SP4_TS3 costs 345.351 real_cost = -374.587 SP4_TS2-scwrl costs 364.880 real_cost = -120.081 SP4_TS2 costs 367.445 real_cost = -128.829 SP4_TS1-scwrl costs 354.668 real_cost = -265.101 SP4_TS1 costs 363.560 real_cost = -261.133 SP3_TS5-scwrl costs 341.805 real_cost = -365.695 SP3_TS5 costs 345.351 real_cost = -374.587 SP3_TS4-scwrl costs 359.521 real_cost = -141.239 SP3_TS4 costs 365.650 real_cost = -144.206 SP3_TS3-scwrl costs 366.287 real_cost = -96.629 SP3_TS3 costs 366.375 real_cost = -104.363 SP3_TS2-scwrl costs 364.880 real_cost = -120.081 SP3_TS2 costs 367.445 real_cost = -128.829 SP3_TS1-scwrl costs 354.668 real_cost = -265.101 SP3_TS1 costs 363.560 real_cost = -261.133 SAM_T06_server_TS5-scwrl costs 441.740 real_cost = -274.512 SAM_T06_server_TS5 costs 411.382 real_cost = -289.053 SAM_T06_server_TS4-scwrl costs 548.949 real_cost = -217.678 SAM_T06_server_TS4 costs 475.992 real_cost = -239.511 SAM_T06_server_TS3-scwrl costs 543.810 real_cost = -264.672 SAM_T06_server_TS3 costs 464.976 real_cost = -313.919 SAM_T06_server_TS2-scwrl costs 568.291 real_cost = -180.770 SAM_T06_server_TS2 costs 472.711 real_cost = -244.828 SAM_T06_server_TS1-scwrl costs 323.141 real_cost = -368.597 SAM_T06_server_TS1 costs 318.526 real_cost = -363.730 SAM-T99_AL5-scwrl costs 502.517 real_cost = -237.780 SAM-T99_AL5 costs 145757.545 real_cost = -130.042 SAM-T99_AL4-scwrl costs 473.798 real_cost = -252.454 SAM-T99_AL4 costs 18263.895 real_cost = -139.183 SAM-T99_AL3-scwrl costs 398.925 real_cost = -300.590 SAM-T99_AL3 costs 43421.053 real_cost = -192.401 SAM-T99_AL2-scwrl costs 369.102 real_cost = -369.908 SAM-T99_AL2 costs 29650.082 real_cost = -254.331 SAM-T99_AL1-scwrl costs 355.513 real_cost = -372.693 SAM-T99_AL1 costs 39651.699 real_cost = -258.715 SAM-T02_AL5-scwrl costs 382.072 real_cost = -369.378 SAM-T02_AL5 costs 27218.959 real_cost = -262.989 SAM-T02_AL4-scwrl costs 469.226 real_cost = -299.293 SAM-T02_AL4 costs 35874.629 real_cost = -184.937 SAM-T02_AL3-scwrl costs 454.231 real_cost = -271.838 SAM-T02_AL3 costs 36337.559 real_cost = -140.096 SAM-T02_AL2-scwrl costs 439.617 real_cost = -279.195 SAM-T02_AL2 costs 64564.090 real_cost = -145.709 SAM-T02_AL1-scwrl costs 449.709 real_cost = -282.996 SAM-T02_AL1 costs 22682.863 real_cost = -153.424 ROKKY_TS5-scwrl costs 466.180 real_cost = -188.584 ROKKY_TS5 costs 470.931 real_cost = -190.492 ROKKY_TS4-scwrl costs 450.446 real_cost = -194.383 ROKKY_TS4 costs 459.419 real_cost = -200.215 ROKKY_TS3-scwrl costs 459.280 real_cost = -178.078 ROKKY_TS3 costs 471.812 real_cost = -180.966 ROKKY_TS2-scwrl costs 445.095 real_cost = -182.221 ROKKY_TS2 costs 443.318 real_cost = -192.518 ROKKY_TS1-scwrl costs 448.652 real_cost = -187.469 ROKKY_TS1 costs 445.801 real_cost = -187.648 ROBETTA_TS5-scwrl costs 346.903 real_cost = -270.854 ROBETTA_TS5 costs 342.392 real_cost = -274.435 ROBETTA_TS4-scwrl costs 335.947 real_cost = -381.860 ROBETTA_TS4 costs 334.328 real_cost = -387.768 ROBETTA_TS3-scwrl costs 342.471 real_cost = -250.518 ROBETTA_TS3 costs 336.530 real_cost = -253.837 ROBETTA_TS2-scwrl costs 335.549 real_cost = -392.314 ROBETTA_TS2 costs 332.174 real_cost = -398.936 ROBETTA_TS1-scwrl costs 335.825 real_cost = -369.028 ROBETTA_TS1 costs 334.470 real_cost = -373.384 RAPTOR_TS5-scwrl costs 449.022 real_cost = -208.010 RAPTOR_TS5 costs 452.483 real_cost = -219.104 RAPTOR_TS4-scwrl costs 461.479 real_cost = -204.209 RAPTOR_TS4 costs 474.465 real_cost = -193.559 RAPTOR_TS3-scwrl costs 454.509 real_cost = -199.142 RAPTOR_TS3 costs 451.782 real_cost = -197.171 RAPTOR_TS2-scwrl costs 341.377 real_cost = -360.464 RAPTOR_TS2 costs 345.901 real_cost = -366.443 RAPTOR_TS1-scwrl costs 341.792 real_cost = -357.862 RAPTOR_TS1 costs 347.228 real_cost = -365.683 RAPTORESS_TS5-scwrl costs 382.285 real_cost = -177.427 RAPTORESS_TS5 costs 382.676 real_cost = -183.808 RAPTORESS_TS4-scwrl costs 350.091 real_cost = -301.971 RAPTORESS_TS4 costs 353.819 real_cost = -301.448 RAPTORESS_TS3-scwrl costs 377.283 real_cost = -73.627 RAPTORESS_TS3 costs 382.084 real_cost = -68.590 RAPTORESS_TS2-scwrl costs 343.176 real_cost = -343.997 RAPTORESS_TS2 costs 345.814 real_cost = -341.897 RAPTORESS_TS1-scwrl costs 341.792 real_cost = -357.862 RAPTORESS_TS1 costs 347.228 real_cost = -365.683 RAPTOR-ACE_TS5-scwrl costs 343.417 real_cost = -355.026 RAPTOR-ACE_TS5 costs 348.303 real_cost = -362.064 RAPTOR-ACE_TS4-scwrl costs 354.668 real_cost = -265.101 RAPTOR-ACE_TS4 costs 363.560 real_cost = -261.133 RAPTOR-ACE_TS3-scwrl costs 449.547 real_cost = -195.095 RAPTOR-ACE_TS3 costs 449.300 real_cost = -199.293 RAPTOR-ACE_TS2-scwrl costs 341.805 real_cost = -365.695 RAPTOR-ACE_TS2 costs 345.351 real_cost = -374.587 RAPTOR-ACE_TS1-scwrl costs 437.749 real_cost = -193.030 RAPTOR-ACE_TS1 costs 437.366 real_cost = -189.377 Pmodeller6_TS5-scwrl costs 371.532 real_cost = -282.851 Pmodeller6_TS5 costs 363.064 real_cost = -288.277 Pmodeller6_TS4-scwrl costs 371.532 real_cost = -282.851 Pmodeller6_TS4 costs 363.064 real_cost = -288.277 Pmodeller6_TS3-scwrl costs 371.532 real_cost = -282.851 Pmodeller6_TS3 costs 363.064 real_cost = -288.277 Pmodeller6_TS2-scwrl costs 371.532 real_cost = -282.851 Pmodeller6_TS2 costs 363.064 real_cost = -288.277 Pmodeller6_TS1-scwrl costs 371.532 real_cost = -282.851 Pmodeller6_TS1 costs 363.064 real_cost = -288.277 Phyre-2_TS5-scwrl costs 348.947 real_cost = -380.721 Phyre-2_TS5 costs 355.429 real_cost = -378.294 Phyre-2_TS4-scwrl costs 348.947 real_cost = -380.721 Phyre-2_TS4 costs 355.429 real_cost = -378.294 Phyre-2_TS3-scwrl costs 348.947 real_cost = -380.721 Phyre-2_TS3 costs 355.429 real_cost = -378.294 Phyre-2_TS2-scwrl costs 348.947 real_cost = -380.721 Phyre-2_TS2 costs 355.429 real_cost = -378.294 Phyre-2_TS1-scwrl costs 348.947 real_cost = -380.721 Phyre-2_TS1 costs 355.429 real_cost = -378.294 Phyre-1_TS1-scwrl costs 348.947 real_cost = -380.721 Phyre-1_TS1 costs 348.245 real_cost = -380.835 Pcons6_TS5-scwrl costs 366.566 real_cost = -366.832 Pcons6_TS5 costs 366.481 real_cost = -366.700 Pcons6_TS4-scwrl costs 353.899 real_cost = -349.965 Pcons6_TS4 costs 353.872 real_cost = -349.892 Pcons6_TS3-scwrl costs 353.899 real_cost = -349.965 Pcons6_TS3 costs 353.872 real_cost = -349.892 Pcons6_TS2-scwrl costs 353.899 real_cost = -349.965 Pcons6_TS2 costs 353.872 real_cost = -349.892 Pcons6_TS1-scwrl costs 353.899 real_cost = -349.965 Pcons6_TS1 costs 353.872 real_cost = -349.892 PROTINFO_TS5-scwrl costs 336.147 real_cost = -330.723 PROTINFO_TS5 costs 336.141 real_cost = -329.722 PROTINFO_TS4-scwrl costs 336.339 real_cost = -317.759 PROTINFO_TS4 costs 335.613 real_cost = -320.448 PROTINFO_TS3-scwrl costs 357.271 real_cost = -306.908 PROTINFO_TS3 costs 357.271 real_cost = -306.908 PROTINFO_TS2-scwrl costs 356.815 real_cost = -308.138 PROTINFO_TS2 costs 356.815 real_cost = -308.138 PROTINFO_TS1-scwrl costs 355.047 real_cost = -335.977 PROTINFO_TS1 costs 355.047 real_cost = -335.977 PROTINFO-AB_TS5-scwrl costs 356.576 real_cost = -282.510 PROTINFO-AB_TS5 costs 359.300 real_cost = -289.967 PROTINFO-AB_TS4-scwrl costs 358.242 real_cost = -307.308 PROTINFO-AB_TS4 costs 363.199 real_cost = -320.417 PROTINFO-AB_TS3-scwrl costs 352.383 real_cost = -320.158 PROTINFO-AB_TS3 costs 357.062 real_cost = -329.505 PROTINFO-AB_TS2-scwrl costs 352.976 real_cost = -343.125 PROTINFO-AB_TS2 costs 356.875 real_cost = -346.865 PROTINFO-AB_TS1-scwrl costs 353.373 real_cost = -344.469 PROTINFO-AB_TS1 costs 357.197 real_cost = -355.274 NN_PUT_lab_TS1-scwrl costs 489.594 real_cost = -176.685 NN_PUT_lab_TS1 costs 474.057 real_cost = -190.198 MetaTasser_TS2-scwrl costs 540.973 real_cost = -1.515 MetaTasser_TS2 costs 551.068 real_cost = -14.942 MetaTasser_TS1-scwrl costs 489.544 real_cost = -183.141 MetaTasser_TS1 costs 532.651 real_cost = -176.040 Ma-OPUS-server_TS5-scwrl costs 503.184 real_cost = 341.067 Ma-OPUS-server_TS5 costs 500.947 real_cost = 343.523 Ma-OPUS-server_TS4-scwrl costs 464.612 real_cost = 337.267 Ma-OPUS-server_TS4 costs 474.995 real_cost = 336.977 Ma-OPUS-server_TS3-scwrl costs 438.365 real_cost = -193.505 Ma-OPUS-server_TS3 costs 442.365 real_cost = -201.268 Ma-OPUS-server_TS2-scwrl costs 374.602 real_cost = -109.524 Ma-OPUS-server_TS2 costs 380.566 real_cost = -111.242 Ma-OPUS-server_TS1-scwrl costs 345.793 real_cost = -364.182 Ma-OPUS-server_TS1 costs 350.963 real_cost = -366.118 MIG_FROST_AL1-scwrl costs 548.763 real_cost = 192.523 MIG_FROST_AL1 costs 36336.106 real_cost = 285.803 LOOPP_TS5-scwrl costs 385.615 real_cost = -243.651 LOOPP_TS5 costs 377.222 real_cost = -242.305 LOOPP_TS4-scwrl costs 372.155 real_cost = -287.450 LOOPP_TS4 costs 371.301 real_cost = -279.863 LOOPP_TS3-scwrl costs 359.826 real_cost = -323.832 LOOPP_TS3 costs 357.798 real_cost = -307.559 LOOPP_TS2-scwrl costs 371.383 real_cost = -337.879 LOOPP_TS2 costs 371.079 real_cost = -328.179 LOOPP_TS1-scwrl costs 364.459 real_cost = -321.460 LOOPP_TS1 costs 360.949 real_cost = -302.697 Huber-Torda-Server_TS5-scwrl costs 462.536 real_cost = -271.496 Huber-Torda-Server_TS5 costs 22320.720 real_cost = -184.896 Huber-Torda-Server_TS4-scwrl costs 356.024 real_cost = -375.056 Huber-Torda-Server_TS4 costs 14513.269 real_cost = -287.580 Huber-Torda-Server_TS3-scwrl costs 402.052 real_cost = -314.569 Huber-Torda-Server_TS3 costs 17878.078 real_cost = -220.347 Huber-Torda-Server_TS2-scwrl costs 419.372 real_cost = -290.027 Huber-Torda-Server_TS2 costs 15097.485 real_cost = -214.227 Huber-Torda-Server_TS1-scwrl costs 349.758 real_cost = -380.721 Huber-Torda-Server_TS1 costs 16772.951 real_cost = -291.227 HHpred3_TS1-scwrl costs 341.125 real_cost = -323.073 HHpred3_TS1 costs 347.141 real_cost = -332.145 HHpred2_TS1-scwrl costs 341.125 real_cost = -323.073 HHpred2_TS1 costs 347.141 real_cost = -332.145 HHpred1_TS1-scwrl costs 340.452 real_cost = -359.450 HHpred1_TS1 costs 345.457 real_cost = -363.004 GeneSilicoMetaServer_TS5-scwrl costs 337.687 real_cost = -364.973 GeneSilicoMetaServer_TS5 costs 344.721 real_cost = -372.863 GeneSilicoMetaServer_TS4-scwrl costs 342.795 real_cost = -364.171 GeneSilicoMetaServer_TS4 costs 350.887 real_cost = -375.287 GeneSilicoMetaServer_TS3-scwrl costs 453.778 real_cost = -192.102 GeneSilicoMetaServer_TS3 costs 458.316 real_cost = -199.714 GeneSilicoMetaServer_TS2-scwrl costs 434.178 real_cost = -219.583 GeneSilicoMetaServer_TS2 costs 440.317 real_cost = -223.044 GeneSilicoMetaServer_TS1-scwrl costs 346.160 real_cost = -361.830 GeneSilicoMetaServer_TS1 costs 352.011 real_cost = -364.656 Frankenstein_TS4-scwrl costs 459.199 real_cost = -174.682 Frankenstein_TS4 costs 459.594 real_cost = -174.058 Frankenstein_TS3-scwrl costs 376.560 real_cost = -227.957 Frankenstein_TS3 costs 396.433 real_cost = -232.131 Frankenstein_TS2-scwrl costs 401.995 real_cost = -234.817 Frankenstein_TS2 costs 396.708 real_cost = -236.010 Frankenstein_TS1-scwrl costs 459.199 real_cost = -174.682 Frankenstein_TS1 costs 459.594 real_cost = -174.058 FUNCTION_TS5-scwrl costs 371.145 real_cost = -287.588 FUNCTION_TS5 costs 372.952 real_cost = -306.790 FUNCTION_TS4-scwrl costs 399.401 real_cost = -223.868 FUNCTION_TS4 costs 397.601 real_cost = -218.172 FUNCTION_TS3-scwrl costs 404.872 real_cost = -221.680 FUNCTION_TS3 costs 400.758 real_cost = -222.106 FUNCTION_TS2-scwrl costs 392.456 real_cost = -191.745 FUNCTION_TS2 costs 392.772 real_cost = -175.246 FUNCTION_TS1-scwrl costs 389.537 real_cost = -192.351 FUNCTION_TS1 costs 393.604 real_cost = -180.358 FUGUE_AL5-scwrl costs 545.299 real_cost = 346.859 FUGUE_AL5 costs 39241.109 real_cost = 462.712 FUGUE_AL4-scwrl costs 967.411 real_cost = 453.062 FUGUE_AL4 costs 5492.190 real_cost = 516.967 FUGUE_AL3-scwrl costs 1381.067 real_cost = 540.023 FUGUE_AL3 costs 3640.913 real_cost = 569.513 FUGUE_AL2-scwrl costs 370.479 real_cost = -364.552 FUGUE_AL2 costs 39615.510 real_cost = -250.394 FUGUE_AL1-scwrl costs 363.975 real_cost = -375.695 FUGUE_AL1 costs 84590.102 real_cost = -265.447 FUGMOD_TS5-scwrl costs 435.902 real_cost = 326.289 FUGMOD_TS5 costs 440.459 real_cost = 325.864 FUGMOD_TS4-scwrl costs 835.133 real_cost = 417.189 FUGMOD_TS4 costs 822.810 real_cost = 414.111 FUGMOD_TS3-scwrl costs 1384.146 real_cost = 532.514 FUGMOD_TS3 costs 1372.803 real_cost = 508.144 FUGMOD_TS2-scwrl costs 339.135 real_cost = -365.109 FUGMOD_TS2 costs 345.196 real_cost = -368.094 FUGMOD_TS1-scwrl costs 344.671 real_cost = -363.350 FUGMOD_TS1 costs 354.158 real_cost = -371.292 FPSOLVER-SERVER_TS1-scwrl costs 488.373 real_cost = 341.877 FPSOLVER-SERVER_TS1 costs 492.151 real_cost = 341.072 FORTE2_AL5-scwrl costs 570.409 real_cost = 362.983 FORTE2_AL5 costs 84229.933 real_cost = 487.639 FORTE2_AL4-scwrl costs 584.453 real_cost = 338.190 FORTE2_AL4 costs 29888.186 real_cost = 441.563 FORTE2_AL3-scwrl costs 737.582 real_cost = 415.820 FORTE2_AL3 costs 38064.528 real_cost = 508.386 FORTE2_AL2-scwrl costs 532.950 real_cost = -60.666 FORTE2_AL2 costs 32916.327 real_cost = 26.972 FORTE2_AL1-scwrl costs 438.202 real_cost = -285.264 FORTE2_AL1 costs 27426.677 real_cost = -158.258 FORTE1_AL5-scwrl costs 559.239 real_cost = 359.536 FORTE1_AL5 costs 41177.812 real_cost = 486.786 FORTE1_AL4-scwrl costs 532.781 real_cost = 349.222 FORTE1_AL4 costs 30713.215 real_cost = 464.869 FORTE1_AL3-scwrl costs 753.543 real_cost = 415.068 FORTE1_AL3 costs 35933.413 real_cost = 505.060 FORTE1_AL2-scwrl costs 533.438 real_cost = -59.655 FORTE1_AL2 costs 32927.530 real_cost = 30.279 FORTE1_AL1-scwrl costs 438.202 real_cost = -285.264 FORTE1_AL1 costs 27426.677 real_cost = -158.258 FOLDpro_TS5-scwrl costs 363.196 real_cost = -99.152 FOLDpro_TS5 costs 369.564 real_cost = -95.771 FOLDpro_TS4-scwrl costs 373.354 real_cost = -96.729 FOLDpro_TS4 costs 379.183 real_cost = -105.101 FOLDpro_TS3-scwrl costs 383.424 real_cost = -31.736 FOLDpro_TS3 costs 376.617 real_cost = -31.516 FOLDpro_TS2-scwrl costs 373.349 real_cost = -248.532 FOLDpro_TS2 costs 382.565 real_cost = -257.036 FOLDpro_TS1-scwrl costs 343.977 real_cost = -323.462 FOLDpro_TS1 costs 346.989 real_cost = -336.071 FAMS_TS5-scwrl costs 371.145 real_cost = -287.588 FAMS_TS5 costs 372.952 real_cost = -306.790 FAMS_TS4-scwrl costs 365.939 real_cost = -325.896 FAMS_TS4 costs 366.767 real_cost = -344.923 FAMS_TS3-scwrl costs 389.613 real_cost = -320.940 FAMS_TS3 costs 378.431 real_cost = -344.654 FAMS_TS2-scwrl costs 358.843 real_cost = -352.485 FAMS_TS2 costs 356.674 real_cost = -361.082 FAMS_TS1-scwrl costs 369.965 real_cost = -257.088 FAMS_TS1 costs 375.114 real_cost = -272.508 FAMSD_TS5-scwrl costs 362.399 real_cost = -346.723 FAMSD_TS5 costs 362.021 real_cost = -359.270 FAMSD_TS4-scwrl costs 358.843 real_cost = -352.485 FAMSD_TS4 costs 356.674 real_cost = -361.082 FAMSD_TS3-scwrl costs 368.647 real_cost = -330.879 FAMSD_TS3 costs 363.760 real_cost = -346.488 FAMSD_TS2-scwrl costs 375.002 real_cost = -280.435 FAMSD_TS2 costs 369.558 real_cost = -295.467 FAMSD_TS1-scwrl costs 349.103 real_cost = -330.090 FAMSD_TS1 costs 353.295 real_cost = -342.519 Distill_TS5-scwrl costs 2506.543 real_cost = 217.364 Distill_TS4-scwrl costs 2506.590 real_cost = 209.704 Distill_TS3-scwrl costs 2507.501 real_cost = 213.170 Distill_TS2-scwrl costs 2502.312 real_cost = 207.686 Distill_TS1-scwrl costs 2508.631 real_cost = 207.448 CaspIta-FOX_TS5-scwrl costs 376.150 real_cost = -209.317 CaspIta-FOX_TS5 costs 378.631 real_cost = -224.995 CaspIta-FOX_TS4-scwrl costs 371.952 real_cost = -292.928 CaspIta-FOX_TS4 costs 366.453 real_cost = -305.735 CaspIta-FOX_TS3-scwrl costs 364.264 real_cost = -314.824 CaspIta-FOX_TS3 costs 362.390 real_cost = -327.161 CaspIta-FOX_TS2-scwrl costs 371.507 real_cost = -287.690 CaspIta-FOX_TS2 costs 365.415 real_cost = -306.310 CaspIta-FOX_TS1-scwrl costs 346.575 real_cost = -377.619 CaspIta-FOX_TS1 costs 348.340 real_cost = -394.689 CIRCLE_TS5-scwrl costs 393.742 real_cost = -253.780 CIRCLE_TS5 costs 384.794 real_cost = -275.541 CIRCLE_TS4-scwrl costs 389.613 real_cost = -320.940 CIRCLE_TS4 costs 378.431 real_cost = -344.654 CIRCLE_TS3-scwrl costs 367.414 real_cost = -336.160 CIRCLE_TS3 costs 368.624 real_cost = -356.320 CIRCLE_TS2-scwrl costs 362.626 real_cost = -332.540 CIRCLE_TS2 costs 364.959 real_cost = -352.528 CIRCLE_TS1-scwrl costs 365.939 real_cost = -325.896 CIRCLE_TS1 costs 366.767 real_cost = -344.923 Bilab-ENABLE_TS5-scwrl costs 351.094 real_cost = -282.188 Bilab-ENABLE_TS5 costs 351.094 real_cost = -282.188 Bilab-ENABLE_TS4-scwrl costs 353.228 real_cost = -282.719 Bilab-ENABLE_TS4 costs 353.228 real_cost = -282.719 Bilab-ENABLE_TS3-scwrl costs 350.855 real_cost = -279.827 Bilab-ENABLE_TS3 costs 350.855 real_cost = -279.827 Bilab-ENABLE_TS2-scwrl costs 350.021 real_cost = -357.235 Bilab-ENABLE_TS2 costs 350.021 real_cost = -357.235 Bilab-ENABLE_TS1-scwrl costs 349.953 real_cost = -359.563 Bilab-ENABLE_TS1 costs 349.953 real_cost = -359.563 BayesHH_TS1-scwrl costs 340.729 real_cost = -338.872 BayesHH_TS1 costs 345.243 real_cost = -351.065 ABIpro_TS5-scwrl costs 539.973 real_cost = 289.133 ABIpro_TS5 costs 540.323 real_cost = 288.779 ABIpro_TS4-scwrl costs 508.909 real_cost = 290.979 ABIpro_TS4 costs 508.909 real_cost = 290.979 ABIpro_TS3-scwrl costs 529.651 real_cost = 253.706 ABIpro_TS3 costs 528.522 real_cost = 253.700 ABIpro_TS2-scwrl costs 494.639 real_cost = 283.119 ABIpro_TS2 costs 493.337 real_cost = 281.613 ABIpro_TS1-scwrl costs 498.930 real_cost = 255.669 ABIpro_TS1 costs 498.357 real_cost = 255.177 3Dpro_TS5-scwrl costs 462.403 real_cost = -75.567 3Dpro_TS5 costs 468.621 real_cost = -81.247 3Dpro_TS4-scwrl costs 454.069 real_cost = -201.869 3Dpro_TS4 costs 456.469 real_cost = -208.576 3Dpro_TS3-scwrl costs 428.878 real_cost = -26.738 3Dpro_TS3 costs 428.899 real_cost = -35.544 3Dpro_TS2-scwrl costs 334.527 real_cost = -367.934 3Dpro_TS2 costs 340.017 real_cost = -385.363 3Dpro_TS1-scwrl costs 346.582 real_cost = -322.566 3Dpro_TS1 costs 348.336 real_cost = -331.177 3D-JIGSAW_TS5-scwrl costs 389.179 real_cost = -194.274 3D-JIGSAW_TS5 costs 394.486 real_cost = -183.424 3D-JIGSAW_TS4-scwrl costs 390.701 real_cost = -189.688 3D-JIGSAW_TS4 costs 397.387 real_cost = -184.011 3D-JIGSAW_TS3-scwrl costs 401.257 real_cost = -203.368 3D-JIGSAW_TS3 costs 408.884 real_cost = -186.782 3D-JIGSAW_TS2-scwrl costs 402.290 real_cost = -326.623 3D-JIGSAW_TS2 costs 402.410 real_cost = -322.098 3D-JIGSAW_TS1-scwrl costs 384.358 real_cost = -332.257 3D-JIGSAW_TS1 costs 382.959 real_cost = -333.546 3D-JIGSAW_RECOM_TS5-scwrl costs 399.623 real_cost = -318.063 3D-JIGSAW_RECOM_TS5 costs 386.106 real_cost = -326.011 3D-JIGSAW_RECOM_TS4-scwrl costs 401.394 real_cost = -330.963 3D-JIGSAW_RECOM_TS4 costs 392.856 real_cost = -330.850 3D-JIGSAW_RECOM_TS3-scwrl costs 393.761 real_cost = -322.855 3D-JIGSAW_RECOM_TS3 costs 383.086 real_cost = -330.637 3D-JIGSAW_RECOM_TS2-scwrl costs 402.144 real_cost = -325.524 3D-JIGSAW_RECOM_TS2 costs 393.835 real_cost = -330.050 3D-JIGSAW_RECOM_TS1-scwrl costs 397.359 real_cost = -331.240 3D-JIGSAW_RECOM_TS1 costs 385.415 real_cost = -338.682 3D-JIGSAW_POPULUS_TS5-scwrl costs 382.407 real_cost = -322.451 3D-JIGSAW_POPULUS_TS5 costs 372.984 real_cost = -329.279 3D-JIGSAW_POPULUS_TS4-scwrl costs 380.985 real_cost = -305.613 3D-JIGSAW_POPULUS_TS4 costs 371.361 real_cost = -312.820 3D-JIGSAW_POPULUS_TS3-scwrl costs 381.681 real_cost = -321.814 3D-JIGSAW_POPULUS_TS3 costs 372.278 real_cost = -328.695 3D-JIGSAW_POPULUS_TS2-scwrl costs 382.619 real_cost = -319.351 3D-JIGSAW_POPULUS_TS2 costs 373.449 real_cost = -326.158 3D-JIGSAW_POPULUS_TS1-scwrl costs 380.928 real_cost = -322.467 3D-JIGSAW_POPULUS_TS1 costs 371.147 real_cost = -328.256 T0290.try3-opt2.repack-nonPC.pdb.gz costs 316.955 real_cost = -357.016 T0290.try3-opt2.pdb.gz costs 313.827 real_cost = -350.718 T0290.try3-opt2.gromacs0.pdb.gz costs 325.498 real_cost = -353.455 T0290.try3-opt1.pdb.gz costs 315.771 real_cost = -349.258 T0290.try3-opt1-scwrl.pdb.gz costs 321.284 real_cost = -344.190 T0290.try2-opt2.repack-nonPC.pdb.gz costs 318.975 real_cost = -349.332 T0290.try2-opt2.pdb.gz costs 316.891 real_cost = -347.165 T0290.try2-opt2.gromacs0.pdb.gz costs 326.809 real_cost = -349.611 T0290.try2-opt1.pdb.gz costs 323.758 real_cost = -351.086 T0290.try2-opt1-scwrl.pdb.gz costs 326.257 real_cost = -340.104 T0290.try1-opt2.repack-nonPC.pdb.gz costs 318.585 real_cost = -362.992 T0290.try1-opt2.pdb.gz costs 316.057 real_cost = -357.785 T0290.try1-opt2.gromacs0.pdb.gz costs 324.446 real_cost = -360.920 T0290.try1-opt1.pdb.gz costs 323.538 real_cost = -356.807 T0290.try1-opt1-scwrl.pdb.gz costs 324.834 real_cost = -364.220 ../model5.ts-submitted costs 419.603 real_cost = -271.834 ../model4.ts-submitted costs 464.839 real_cost = -313.991 ../model3.ts-submitted costs 472.464 real_cost = -244.820 ../model2.ts-submitted costs 316.990 real_cost = -357.013 ../model1.ts-submitted costs 313.843 real_cost = -350.766 align5 costs 1551.469 real_cost = -216.173 align4 costs 1202.295 real_cost = -240.268 align3 costs 552.564 real_cost = -261.814 align2 costs 1078.205 real_cost = -329.573 align1 costs 1450.009 real_cost = -255.968 T0290.try1-opt2.pdb costs 316.057 real_cost = -357.788 model5-scwrl costs 452.409 real_cost = -271.448 model5.ts-submitted costs 419.603 real_cost = -271.834 model4-scwrl costs 543.665 real_cost = -264.677 model4.ts-submitted costs 464.839 real_cost = -313.991 model3-scwrl costs 568.100 real_cost = -180.804 model3.ts-submitted costs 472.464 real_cost = -244.820 model2-scwrl costs 319.057 real_cost = -346.023 model2.ts-submitted costs 316.990 real_cost = -357.013 model1-scwrl costs 319.141 real_cost = -346.128 model1.ts-submitted costs 313.843 real_cost = -350.760 2gw2A costs 383.606 real_cost = -893.800 # command:CPU_time= 864.227 sec, elapsed time= 2713.882 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/T0290'