make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0368' 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/T0368.} ;\ 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/T0368/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2hr2A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174066634 # 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= 6.12707 sec, elapsed time= 8.81095 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= 6.21006 sec, elapsed time= 8.99956 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0368 numbered 1 through 174 Created new target T0368 from T0368.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * 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 T0368.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 T0368.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 T0368.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= 9.14361 sec, elapsed time= 15.1959 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 163 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -40.5449 # GDT_score(maxd=8,maxw=2.9)= -36.9789 # GDT_score(maxd=8,maxw=3.2)= -35.2166 # GDT_score(maxd=8,maxw=3.5)= -33.593 # GDT_score(maxd=10,maxw=3.8)= -37.8598 # GDT_score(maxd=10,maxw=4)= -36.7168 # GDT_score(maxd=10,maxw=4.2)= -35.6306 # GDT_score(maxd=12,maxw=4.3)= -39.6355 # GDT_score(maxd=12,maxw=4.5)= -38.4836 # GDT_score(maxd=12,maxw=4.7)= -37.3916 # GDT_score(maxd=14,maxw=5.2)= -38.2994 # GDT_score(maxd=14,maxw=5.5)= -36.784 # command:# Prefix for output files set to # command:EXPDTA model1.ts-submitted MODEL 1 REMARK 44 REMARK 44 model 1 is called model1.ts-submitted ATOM 1 N MET A 1 80.139 64.913 63.998 1.00 0.00 ATOM 2 CA MET A 1 81.195 65.928 64.084 1.00 0.00 ATOM 3 CB MET A 1 82.210 65.379 65.194 1.00 0.00 ATOM 4 CG MET A 1 81.541 65.541 66.574 1.00 0.00 ATOM 5 SD MET A 1 82.564 64.844 67.885 1.00 0.00 ATOM 6 CE MET A 1 83.854 66.085 67.952 1.00 0.00 ATOM 7 O MET A 1 82.065 64.834 62.136 1.00 0.00 ATOM 8 C MET A 1 82.110 65.818 62.872 1.00 0.00 ATOM 9 N LYS A 2 82.841 66.883 62.616 1.00 0.00 ATOM 10 CA LYS A 2 83.740 66.879 61.468 1.00 0.00 ATOM 11 CB LYS A 2 84.469 68.201 61.343 1.00 0.00 ATOM 12 CG LYS A 2 83.653 69.471 61.332 1.00 0.00 ATOM 13 CD LYS A 2 84.520 70.716 61.496 1.00 0.00 ATOM 14 CE LYS A 2 85.356 70.824 62.763 1.00 0.00 ATOM 15 NZ LYS A 2 86.830 71.134 62.615 1.00 0.00 ATOM 16 O LYS A 2 84.906 65.335 62.899 1.00 0.00 ATOM 17 C LYS A 2 84.807 65.813 61.769 1.00 0.00 ATOM 18 N PRO A 3 85.484 65.365 60.723 1.00 0.00 ATOM 19 CA PRO A 3 86.523 64.352 60.939 1.00 0.00 ATOM 20 CB PRO A 3 87.301 64.383 59.630 1.00 0.00 ATOM 21 CG PRO A 3 86.237 64.722 58.621 1.00 0.00 ATOM 22 CD PRO A 3 85.474 65.821 59.315 1.00 0.00 ATOM 23 O PRO A 3 87.803 65.888 62.267 1.00 0.00 ATOM 24 C PRO A 3 87.439 64.721 62.103 1.00 0.00 ATOM 25 N LEU A 4 87.655 63.780 63.001 1.00 0.00 ATOM 26 CA LEU A 4 88.522 63.953 64.166 1.00 0.00 ATOM 27 CB LEU A 4 87.899 63.726 65.539 1.00 0.00 ATOM 28 CG LEU A 4 86.603 64.494 65.826 1.00 0.00 ATOM 29 CD1 LEU A 4 85.963 63.948 67.100 1.00 0.00 ATOM 30 CD2 LEU A 4 86.843 65.988 65.815 1.00 0.00 ATOM 31 O LEU A 4 89.588 61.803 64.231 1.00 0.00 ATOM 32 C LEU A 4 89.671 62.982 63.961 1.00 0.00 ATOM 33 N LYS A 5 90.742 63.470 63.304 1.00 0.00 ATOM 34 CA LYS A 5 91.782 62.582 62.805 1.00 0.00 ATOM 35 CB LYS A 5 92.892 63.296 62.115 1.00 0.00 ATOM 36 CG LYS A 5 92.470 63.851 60.758 1.00 0.00 ATOM 37 CD LYS A 5 93.661 64.382 59.963 1.00 0.00 ATOM 38 CE LYS A 5 93.239 64.809 58.562 1.00 0.00 ATOM 39 NZ LYS A 5 94.396 65.235 57.718 1.00 0.00 ATOM 40 O LYS A 5 92.744 60.640 63.849 1.00 0.00 ATOM 41 C LYS A 5 92.469 61.833 63.921 1.00 0.00 ATOM 42 N GLU A 6 92.703 62.537 65.022 1.00 0.00 ATOM 43 CA GLU A 6 93.405 61.879 66.102 1.00 0.00 ATOM 44 CB GLU A 6 93.907 62.916 67.117 1.00 0.00 ATOM 45 CG GLU A 6 94.963 63.850 66.559 1.00 0.00 ATOM 46 CD GLU A 6 95.344 64.966 67.514 1.00 0.00 ATOM 47 OE1 GLU A 6 94.644 65.163 68.531 1.00 0.00 ATOM 48 OE2 GLU A 6 96.346 65.656 67.244 1.00 0.00 ATOM 49 O GLU A 6 93.049 59.750 67.124 1.00 0.00 ATOM 50 C GLU A 6 92.542 60.794 66.725 1.00 0.00 ATOM 51 N VAL A 7 91.229 61.014 66.821 1.00 0.00 ATOM 52 CA VAL A 7 90.332 60.004 67.376 1.00 0.00 ATOM 53 CB VAL A 7 88.987 60.513 67.807 1.00 0.00 ATOM 54 CG1 VAL A 7 88.288 59.378 68.545 1.00 0.00 ATOM 55 CG2 VAL A 7 89.044 61.671 68.762 1.00 0.00 ATOM 56 O VAL A 7 90.299 57.650 66.974 1.00 0.00 ATOM 57 C VAL A 7 90.343 58.766 66.482 1.00 0.00 ATOM 58 N VAL A 8 90.436 58.950 65.163 1.00 0.00 ATOM 59 CA VAL A 8 90.470 57.821 64.234 1.00 0.00 ATOM 60 CB VAL A 8 90.459 58.404 62.765 1.00 0.00 ATOM 61 CG1 VAL A 8 90.769 57.304 61.755 1.00 0.00 ATOM 62 CG2 VAL A 8 89.098 59.027 62.473 1.00 0.00 ATOM 63 O VAL A 8 91.665 55.770 64.563 1.00 0.00 ATOM 64 C VAL A 8 91.727 56.995 64.467 1.00 0.00 ATOM 65 N GLY A 9 92.875 57.655 64.569 1.00 0.00 ATOM 66 CA GLY A 9 94.114 56.936 64.816 1.00 0.00 ATOM 67 O GLY A 9 94.607 55.110 66.269 1.00 0.00 ATOM 68 C GLY A 9 94.084 56.213 66.157 1.00 0.00 ATOM 69 N ALA A 10 93.485 56.829 67.176 1.00 0.00 ATOM 70 CA ALA A 10 93.394 56.214 68.505 1.00 0.00 ATOM 71 CB ALA A 10 92.778 57.179 69.493 1.00 0.00 ATOM 72 O ALA A 10 92.889 53.912 68.982 1.00 0.00 ATOM 73 C ALA A 10 92.564 54.925 68.384 1.00 0.00 ATOM 74 N TYR A 11 91.488 54.980 67.610 1.00 0.00 ATOM 75 CA TYR A 11 90.639 53.823 67.415 1.00 0.00 ATOM 76 CB TYR A 11 89.427 54.145 66.553 1.00 0.00 ATOM 77 CG TYR A 11 88.583 52.932 66.305 1.00 0.00 ATOM 78 CD1 TYR A 11 87.883 52.327 67.350 1.00 0.00 ATOM 79 CD2 TYR A 11 88.536 52.337 65.045 1.00 0.00 ATOM 80 CE1 TYR A 11 87.165 51.161 67.146 1.00 0.00 ATOM 81 CE2 TYR A 11 87.821 51.171 64.838 1.00 0.00 ATOM 82 CZ TYR A 11 87.140 50.588 65.893 1.00 0.00 ATOM 83 OH TYR A 11 86.460 49.413 65.705 1.00 0.00 ATOM 84 O TYR A 11 91.342 51.511 67.218 1.00 0.00 ATOM 85 C TYR A 11 91.460 52.671 66.809 1.00 0.00 ATOM 86 N LEU A 12 92.300 52.993 65.829 1.00 0.00 ATOM 87 CA LEU A 12 93.122 51.972 65.196 1.00 0.00 ATOM 88 CB LEU A 12 94.022 52.551 64.130 1.00 0.00 ATOM 89 CG LEU A 12 93.320 53.063 62.871 1.00 0.00 ATOM 90 CD1 LEU A 12 94.402 53.402 61.824 1.00 0.00 ATOM 91 CD2 LEU A 12 92.348 52.011 62.322 1.00 0.00 ATOM 92 O LEU A 12 94.118 50.090 66.307 1.00 0.00 ATOM 93 C LEU A 12 94.071 51.313 66.201 1.00 0.00 ATOM 94 N ALA A 13 94.843 52.105 66.905 1.00 0.00 ATOM 95 CA ALA A 13 95.770 51.555 67.891 1.00 0.00 ATOM 96 CB ALA A 13 96.637 52.624 68.539 1.00 0.00 ATOM 97 O ALA A 13 95.592 49.864 69.578 1.00 0.00 ATOM 98 C ALA A 13 95.037 50.794 68.992 1.00 0.00 ATOM 99 N LEU A 14 93.794 51.222 69.292 1.00 0.00 ATOM 100 CA LEU A 14 93.012 50.552 70.328 1.00 0.00 ATOM 101 CB LEU A 14 91.673 51.237 70.545 1.00 0.00 ATOM 102 CG LEU A 14 91.744 52.658 71.122 1.00 0.00 ATOM 103 CD1 LEU A 14 90.355 53.294 71.133 1.00 0.00 ATOM 104 CD2 LEU A 14 92.350 52.695 72.478 1.00 0.00 ATOM 105 O LEU A 14 92.888 48.187 70.848 1.00 0.00 ATOM 106 C LEU A 14 92.793 49.058 69.973 1.00 0.00 ATOM 107 N SER A 15 92.524 48.785 68.696 1.00 0.00 ATOM 108 CA SER A 15 92.244 47.439 68.218 1.00 0.00 ATOM 109 CB SER A 15 91.636 47.480 66.795 1.00 0.00 ATOM 110 OG SER A 15 90.330 48.079 66.864 1.00 0.00 ATOM 111 O SER A 15 93.409 45.428 68.726 1.00 0.00 ATOM 112 C SER A 15 93.490 46.579 68.291 1.00 0.00 ATOM 113 N ASP A 16 94.653 47.097 67.921 1.00 0.00 ATOM 114 CA ASP A 16 95.916 46.376 68.009 1.00 0.00 ATOM 115 CB ASP A 16 97.065 47.198 67.417 1.00 0.00 ATOM 116 CG ASP A 16 96.968 47.331 65.909 1.00 0.00 ATOM 117 OD1 ASP A 16 96.166 46.594 65.298 1.00 0.00 ATOM 118 OD2 ASP A 16 97.695 48.172 65.340 1.00 0.00 ATOM 119 O ASP A 16 96.679 44.973 69.790 1.00 0.00 ATOM 120 C ASP A 16 96.210 46.063 69.476 1.00 0.00 ATOM 121 N ALA A 17 95.906 46.998 70.372 1.00 0.00 ATOM 122 CA ALA A 17 96.134 46.789 71.809 1.00 0.00 ATOM 123 CB ALA A 17 95.841 48.056 72.598 1.00 0.00 ATOM 124 O ALA A 17 95.568 44.907 73.185 1.00 0.00 ATOM 125 C ALA A 17 95.194 45.698 72.322 1.00 0.00 ATOM 126 N GLN A 18 93.975 45.658 71.807 1.00 0.00 ATOM 127 CA GLN A 18 93.014 44.647 72.243 1.00 0.00 ATOM 128 CB GLN A 18 91.669 44.855 71.568 1.00 0.00 ATOM 129 CG GLN A 18 90.880 46.065 72.045 1.00 0.00 ATOM 130 CD GLN A 18 89.573 46.208 71.297 1.00 0.00 ATOM 131 OE1 GLN A 18 89.537 46.135 70.063 1.00 0.00 ATOM 132 NE2 GLN A 18 88.490 46.395 72.036 1.00 0.00 ATOM 133 O GLN A 18 93.510 42.345 72.734 1.00 0.00 ATOM 134 C GLN A 18 93.541 43.264 71.910 1.00 0.00 ATOM 135 N ARG A 19 94.051 43.125 70.696 1.00 0.00 ATOM 136 CA ARG A 19 94.581 41.858 70.237 1.00 0.00 ATOM 137 CB ARG A 19 94.954 41.963 68.746 1.00 0.00 ATOM 138 CG ARG A 19 95.152 40.615 68.074 1.00 0.00 ATOM 139 CD ARG A 19 95.287 40.808 66.570 1.00 0.00 ATOM 140 NE ARG A 19 95.302 39.512 65.888 1.00 0.00 ATOM 141 CZ ARG A 19 96.411 38.789 65.733 1.00 0.00 ATOM 142 NH1 ARG A 19 97.572 39.250 66.195 1.00 0.00 ATOM 143 NH2 ARG A 19 96.378 37.634 65.093 1.00 0.00 ATOM 144 O ARG A 19 95.972 40.287 71.394 1.00 0.00 ATOM 145 C ARG A 19 95.821 41.456 71.030 1.00 0.00 ATOM 146 N GLN A 20 96.718 42.411 71.303 1.00 0.00 ATOM 147 CA GLN A 20 97.929 42.129 72.069 1.00 0.00 ATOM 148 CB GLN A 20 98.852 43.316 72.049 1.00 0.00 ATOM 149 CG GLN A 20 99.546 43.528 70.713 1.00 0.00 ATOM 150 CD GLN A 20 100.539 42.403 70.417 1.00 0.00 ATOM 151 OE1 GLN A 20 101.519 42.216 71.128 1.00 0.00 ATOM 152 NE2 GLN A 20 100.251 41.625 69.367 1.00 0.00 ATOM 153 O GLN A 20 98.167 40.893 74.128 1.00 0.00 ATOM 154 C GLN A 20 97.534 41.743 73.496 1.00 0.00 ATOM 155 N LEU A 21 96.485 42.371 74.010 1.00 0.00 ATOM 156 CA LEU A 21 96.024 42.056 75.354 1.00 0.00 ATOM 157 CB LEU A 21 94.884 42.990 75.764 1.00 0.00 ATOM 158 CG LEU A 21 94.281 42.758 77.150 1.00 0.00 ATOM 159 CD1 LEU A 21 95.329 42.962 78.232 1.00 0.00 ATOM 160 CD2 LEU A 21 93.135 43.724 77.409 1.00 0.00 ATOM 161 O LEU A 21 95.780 39.915 76.415 1.00 0.00 ATOM 162 C LEU A 21 95.517 40.618 75.439 1.00 0.00 ATOM 163 N VAL A 22 94.790 40.215 74.422 1.00 0.00 ATOM 164 CA VAL A 22 94.266 38.855 74.403 1.00 0.00 ATOM 165 CB VAL A 22 93.421 38.591 73.165 1.00 0.00 ATOM 166 CG1 VAL A 22 92.953 37.144 73.098 1.00 0.00 ATOM 167 CG2 VAL A 22 92.202 39.514 73.220 1.00 0.00 ATOM 168 O VAL A 22 95.325 36.828 75.154 1.00 0.00 ATOM 169 C VAL A 22 95.410 37.849 74.460 1.00 0.00 ATOM 170 N ALA A 23 96.481 38.149 73.740 1.00 0.00 ATOM 171 CA ALA A 23 97.658 37.284 73.655 1.00 0.00 ATOM 172 CB ALA A 23 98.462 37.592 72.403 1.00 0.00 ATOM 173 O ALA A 23 99.493 36.627 75.050 1.00 0.00 ATOM 174 C ALA A 23 98.536 37.383 74.898 1.00 0.00 ATOM 175 N GLY A 24 98.248 38.335 75.783 1.00 0.00 ATOM 176 CA GLY A 24 99.025 38.497 76.998 1.00 0.00 ATOM 177 O GLY A 24 101.127 39.510 77.754 1.00 0.00 ATOM 178 C GLY A 24 100.241 39.368 76.845 1.00 0.00 ATOM 179 N GLU A 25 100.365 39.907 75.587 1.00 0.00 ATOM 180 CA GLU A 25 101.637 40.739 75.364 1.00 0.00 ATOM 181 CB GLU A 25 102.235 40.289 73.968 1.00 0.00 ATOM 182 CG GLU A 25 102.363 38.798 73.706 1.00 0.00 ATOM 183 CD GLU A 25 102.832 38.500 72.291 1.00 0.00 ATOM 184 OE1 GLU A 25 102.988 37.305 71.955 1.00 0.00 ATOM 185 OE2 GLU A 25 103.042 39.458 71.515 1.00 0.00 ATOM 186 O GLU A 25 100.912 43.041 75.195 1.00 0.00 ATOM 187 C GLU A 25 101.251 42.096 75.931 1.00 0.00 ATOM 188 N TYR A 26 101.318 42.189 77.254 1.00 0.00 ATOM 189 CA TYR A 26 100.893 43.374 77.976 1.00 0.00 ATOM 190 CB TYR A 26 100.867 43.112 79.481 1.00 0.00 ATOM 191 CG TYR A 26 99.702 42.263 79.937 1.00 0.00 ATOM 192 CD1 TYR A 26 99.886 40.930 80.280 1.00 0.00 ATOM 193 CD2 TYR A 26 98.424 42.797 80.022 1.00 0.00 ATOM 194 CE1 TYR A 26 98.828 40.145 80.696 1.00 0.00 ATOM 195 CE2 TYR A 26 97.354 42.029 80.439 1.00 0.00 ATOM 196 CZ TYR A 26 97.565 40.693 80.776 1.00 0.00 ATOM 197 OH TYR A 26 96.509 39.913 81.191 1.00 0.00 ATOM 198 O TYR A 26 101.225 45.711 77.675 1.00 0.00 ATOM 199 C TYR A 26 101.756 44.607 77.786 1.00 0.00 ATOM 200 N ASP A 27 103.075 44.457 77.816 1.00 0.00 ATOM 201 CA ASP A 27 103.914 45.635 77.636 1.00 0.00 ATOM 202 CB ASP A 27 105.395 45.257 77.710 1.00 0.00 ATOM 203 CG ASP A 27 105.836 44.909 79.119 1.00 0.00 ATOM 204 OD1 ASP A 27 105.073 45.188 80.066 1.00 0.00 ATOM 205 OD2 ASP A 27 106.947 44.359 79.274 1.00 0.00 ATOM 206 O ASP A 27 103.556 47.492 76.164 1.00 0.00 ATOM 207 C ASP A 27 103.646 46.270 76.279 1.00 0.00 ATOM 208 N GLU A 28 103.510 45.438 75.254 1.00 0.00 ATOM 209 CA GLU A 28 103.234 45.946 73.913 1.00 0.00 ATOM 210 CB GLU A 28 103.349 44.847 72.895 1.00 0.00 ATOM 211 CG GLU A 28 104.784 44.422 72.625 1.00 0.00 ATOM 212 CD GLU A 28 105.671 45.582 72.203 1.00 0.00 ATOM 213 OE1 GLU A 28 105.236 46.370 71.337 1.00 0.00 ATOM 214 OE2 GLU A 28 106.788 45.730 72.752 1.00 0.00 ATOM 215 O GLU A 28 101.648 47.628 73.265 1.00 0.00 ATOM 216 C GLU A 28 101.839 46.574 73.868 1.00 0.00 ATOM 217 N ALA A 29 100.861 45.920 74.479 1.00 0.00 ATOM 218 CA ALA A 29 99.506 46.470 74.475 1.00 0.00 ATOM 219 CB ALA A 29 98.559 45.550 75.232 1.00 0.00 ATOM 220 O ALA A 29 98.818 48.763 74.641 1.00 0.00 ATOM 221 C ALA A 29 99.460 47.844 75.142 1.00 0.00 ATOM 222 N ALA A 30 100.178 47.982 76.246 1.00 0.00 ATOM 223 CA ALA A 30 100.207 49.249 76.970 1.00 0.00 ATOM 224 CB ALA A 30 100.996 49.099 78.261 1.00 0.00 ATOM 225 O ALA A 30 100.393 51.474 76.093 1.00 0.00 ATOM 226 C ALA A 30 100.859 50.335 76.123 1.00 0.00 ATOM 227 N ALA A 31 101.917 49.962 75.441 1.00 0.00 ATOM 228 CA ALA A 31 102.627 50.911 74.592 1.00 0.00 ATOM 229 CB ALA A 31 103.883 50.292 74.000 1.00 0.00 ATOM 230 O ALA A 31 101.725 52.559 73.086 1.00 0.00 ATOM 231 C ALA A 31 101.716 51.385 73.457 1.00 0.00 ATOM 232 N ASN A 32 100.966 50.454 72.906 1.00 0.00 ATOM 233 CA ASN A 32 100.038 50.746 71.817 1.00 0.00 ATOM 234 CB ASN A 32 99.325 49.484 71.324 1.00 0.00 ATOM 235 CG ASN A 32 100.241 48.567 70.539 1.00 0.00 ATOM 236 ND2 ASN A 32 99.865 47.297 70.440 1.00 0.00 ATOM 237 OD1 ASN A 32 101.274 48.997 70.025 1.00 0.00 ATOM 238 O ASN A 32 98.758 52.773 71.675 1.00 0.00 ATOM 239 C ASN A 32 99.003 51.751 72.321 1.00 0.00 ATOM 240 N CYS A 33 98.434 51.501 73.497 1.00 0.00 ATOM 241 CA CYS A 33 97.452 52.427 74.050 1.00 0.00 ATOM 242 CB CYS A 33 96.851 51.819 75.346 1.00 0.00 ATOM 243 SG CYS A 33 95.673 50.468 75.082 1.00 0.00 ATOM 244 O CYS A 33 97.393 54.820 74.061 1.00 0.00 ATOM 245 C CYS A 33 98.031 53.816 74.333 1.00 0.00 ATOM 246 N ARG A 34 99.269 53.865 74.823 1.00 0.00 ATOM 247 CA ARG A 34 99.934 55.141 75.048 1.00 0.00 ATOM 248 CB ARG A 34 101.233 54.837 75.803 1.00 0.00 ATOM 249 CG ARG A 34 102.080 56.098 76.053 1.00 0.00 ATOM 250 CD ARG A 34 103.027 55.734 77.204 1.00 0.00 ATOM 251 NE ARG A 34 103.973 54.782 76.732 1.00 0.00 ATOM 252 CZ ARG A 34 104.659 53.952 77.583 1.00 0.00 ATOM 253 NH1 ARG A 34 104.445 53.904 78.878 1.00 0.00 ATOM 254 NH2 ARG A 34 105.546 53.145 77.066 1.00 0.00 ATOM 255 O ARG A 34 100.016 57.135 73.711 1.00 0.00 ATOM 256 C ARG A 34 100.156 55.911 73.751 1.00 0.00 ATOM 257 N ARG A 35 100.516 55.196 72.690 1.00 0.00 ATOM 258 CA ARG A 35 100.741 55.837 71.397 1.00 0.00 ATOM 259 CB ARG A 35 101.200 54.894 70.300 1.00 0.00 ATOM 260 CG ARG A 35 102.630 54.394 70.603 1.00 0.00 ATOM 261 CD ARG A 35 103.222 53.399 69.601 1.00 0.00 ATOM 262 NE ARG A 35 104.681 53.300 69.814 1.00 0.00 ATOM 263 CZ ARG A 35 105.435 52.332 69.347 1.00 0.00 ATOM 264 NH1 ARG A 35 104.890 51.381 68.652 1.00 0.00 ATOM 265 NH2 ARG A 35 106.746 52.304 69.576 1.00 0.00 ATOM 266 O ARG A 35 99.443 57.591 70.391 1.00 0.00 ATOM 267 C ARG A 35 99.436 56.499 70.957 1.00 0.00 ATOM 268 N ALA A 36 98.301 55.848 71.259 1.00 0.00 ATOM 269 CA ALA A 36 96.990 56.381 70.909 1.00 0.00 ATOM 270 CB ALA A 36 95.908 55.349 71.117 1.00 0.00 ATOM 271 O ALA A 36 96.230 58.664 71.087 1.00 0.00 ATOM 272 C ALA A 36 96.738 57.686 71.657 1.00 0.00 ATOM 273 N MET A 37 97.082 57.694 72.945 1.00 0.00 ATOM 274 CA MET A 37 96.935 58.882 73.768 1.00 0.00 ATOM 275 CB MET A 37 98.042 58.653 74.990 1.00 0.00 ATOM 276 CG MET A 37 97.889 59.445 76.290 1.00 0.00 ATOM 277 SD MET A 37 99.161 59.100 77.501 1.00 0.00 ATOM 278 CE MET A 37 98.671 57.419 78.045 1.00 0.00 ATOM 279 O MET A 37 97.253 61.169 72.992 1.00 0.00 ATOM 280 C MET A 37 97.758 60.027 73.144 1.00 0.00 ATOM 281 N GLU A 38 98.991 59.697 72.770 1.00 0.00 ATOM 282 CA GLU A 38 99.891 60.661 72.137 1.00 0.00 ATOM 283 CB GLU A 38 101.263 60.059 71.829 1.00 0.00 ATOM 284 CG GLU A 38 102.079 59.713 73.065 1.00 0.00 ATOM 285 CD GLU A 38 103.378 59.009 72.727 1.00 0.00 ATOM 286 OE1 GLU A 38 103.605 58.725 71.530 1.00 0.00 ATOM 287 OE2 GLU A 38 104.167 58.739 73.656 1.00 0.00 ATOM 288 O GLU A 38 99.461 62.405 70.540 1.00 0.00 ATOM 289 C GLU A 38 99.334 61.212 70.823 1.00 0.00 ATOM 290 N ILE A 39 98.748 60.344 70.002 1.00 0.00 ATOM 291 CA ILE A 39 98.159 60.785 68.732 1.00 0.00 ATOM 292 CB ILE A 39 97.599 59.632 67.910 1.00 0.00 ATOM 293 CG1 ILE A 39 98.674 58.526 67.729 1.00 0.00 ATOM 294 CG2 ILE A 39 97.041 60.171 66.570 1.00 0.00 ATOM 295 CD1 ILE A 39 98.169 57.253 67.012 1.00 0.00 ATOM 296 O ILE A 39 96.961 62.810 68.237 1.00 0.00 ATOM 297 C ILE A 39 97.091 61.847 68.996 1.00 0.00 ATOM 298 N SER A 40 96.345 61.693 70.085 1.00 0.00 ATOM 299 CA SER A 40 95.270 62.633 70.416 1.00 0.00 ATOM 300 CB SER A 40 94.082 61.887 71.025 1.00 0.00 ATOM 301 OG SER A 40 94.452 61.230 72.224 1.00 0.00 ATOM 302 O SER A 40 94.802 64.286 72.087 1.00 0.00 ATOM 303 C SER A 40 95.666 63.716 71.420 1.00 0.00 ATOM 304 N HIS A 41 96.968 63.935 71.603 1.00 0.00 ATOM 305 CA HIS A 41 97.428 64.906 72.589 1.00 0.00 ATOM 306 CB HIS A 41 99.041 64.491 72.644 1.00 0.00 ATOM 307 CG HIS A 41 99.791 65.200 73.732 1.00 0.00 ATOM 308 CD2 HIS A 41 99.907 64.870 75.047 1.00 0.00 ATOM 309 ND1 HIS A 41 100.462 66.389 73.552 1.00 0.00 ATOM 310 CE1 HIS A 41 101.000 66.747 74.681 1.00 0.00 ATOM 311 NE2 HIS A 41 100.690 65.847 75.616 1.00 0.00 ATOM 312 O HIS A 41 96.842 67.078 73.387 1.00 0.00 ATOM 313 C HIS A 41 96.934 66.334 72.409 1.00 0.00 ATOM 314 N THR A 42 96.622 66.727 71.177 1.00 0.00 ATOM 315 CA THR A 42 96.152 68.085 70.934 1.00 0.00 ATOM 316 CB THR A 42 96.518 68.573 69.550 1.00 0.00 ATOM 317 CG2 THR A 42 98.025 68.509 69.370 1.00 0.00 ATOM 318 OG1 THR A 42 95.886 67.757 68.551 1.00 0.00 ATOM 319 O THR A 42 94.163 69.372 71.280 1.00 0.00 ATOM 320 C THR A 42 94.650 68.246 71.144 1.00 0.00 ATOM 321 N MET A 43 93.935 67.134 71.305 1.00 0.00 ATOM 322 CA MET A 43 92.486 67.176 71.475 1.00 0.00 ATOM 323 CB MET A 43 91.851 65.931 70.890 1.00 0.00 ATOM 324 CG MET A 43 92.072 65.894 69.364 1.00 0.00 ATOM 325 SD MET A 43 91.066 64.754 68.510 1.00 0.00 ATOM 326 CE MET A 43 91.696 64.981 66.790 1.00 0.00 ATOM 327 O MET A 43 92.904 66.904 73.805 1.00 0.00 ATOM 328 C MET A 43 92.078 67.158 72.931 1.00 0.00 ATOM 329 N PRO A 44 90.806 67.420 73.200 1.00 0.00 ATOM 330 CA PRO A 44 90.346 67.456 74.578 1.00 0.00 ATOM 331 CB PRO A 44 88.849 67.708 74.431 1.00 0.00 ATOM 332 CG PRO A 44 88.776 68.604 73.228 1.00 0.00 ATOM 333 CD PRO A 44 89.768 68.001 72.257 1.00 0.00 ATOM 334 O PRO A 44 90.590 65.073 74.635 1.00 0.00 ATOM 335 C PRO A 44 90.604 66.121 75.268 1.00 0.00 ATOM 336 N PRO A 45 90.915 66.154 76.566 1.00 0.00 ATOM 337 CA PRO A 45 91.191 64.918 77.304 1.00 0.00 ATOM 338 CB PRO A 45 91.279 65.428 78.760 1.00 0.00 ATOM 339 CG PRO A 45 91.813 66.831 78.592 1.00 0.00 ATOM 340 CD PRO A 45 91.013 67.339 77.413 1.00 0.00 ATOM 341 O PRO A 45 90.436 62.637 77.297 1.00 0.00 ATOM 342 C PRO A 45 90.124 63.825 77.189 1.00 0.00 ATOM 343 N GLU A 46 88.869 64.230 77.039 1.00 0.00 ATOM 344 CA GLU A 46 87.774 63.276 76.904 1.00 0.00 ATOM 345 CB GLU A 46 86.451 64.033 76.782 1.00 0.00 ATOM 346 CG GLU A 46 86.012 64.699 78.076 1.00 0.00 ATOM 347 CD GLU A 46 86.606 66.080 78.315 1.00 0.00 ATOM 348 OE1 GLU A 46 87.536 66.548 77.605 1.00 0.00 ATOM 349 OE2 GLU A 46 86.117 66.713 79.274 1.00 0.00 ATOM 350 O GLU A 46 87.633 61.128 75.834 1.00 0.00 ATOM 351 C GLU A 46 88.025 62.299 75.755 1.00 0.00 ATOM 352 N GLU A 47 88.673 62.766 74.684 1.00 0.00 ATOM 353 CA GLU A 47 88.946 61.889 73.545 1.00 0.00 ATOM 354 CB GLU A 47 90.166 62.760 72.708 1.00 0.00 ATOM 355 CG GLU A 47 90.073 63.489 71.387 1.00 0.00 ATOM 356 CD GLU A 47 88.799 64.314 71.209 1.00 0.00 ATOM 357 OE1 GLU A 47 88.461 65.183 72.058 1.00 0.00 ATOM 358 OE2 GLU A 47 88.150 64.105 70.176 1.00 0.00 ATOM 359 O GLU A 47 89.641 59.633 73.177 1.00 0.00 ATOM 360 C GLU A 47 89.736 60.637 73.906 1.00 0.00 ATOM 361 N ALA A 48 90.487 60.695 75.010 1.00 0.00 ATOM 362 CA ALA A 48 91.370 59.578 75.428 1.00 0.00 ATOM 363 CB ALA A 48 92.488 60.165 76.315 1.00 0.00 ATOM 364 O ALA A 48 91.329 57.706 76.862 1.00 0.00 ATOM 365 C ALA A 48 90.661 58.501 76.247 1.00 0.00 ATOM 366 N PHE A 49 89.335 58.593 76.340 1.00 0.00 ATOM 367 CA PHE A 49 88.635 57.683 77.243 1.00 0.00 ATOM 368 CB PHE A 49 87.143 57.503 76.482 1.00 0.00 ATOM 369 CG PHE A 49 86.013 56.966 77.357 1.00 0.00 ATOM 370 CD1 PHE A 49 85.192 57.839 78.043 1.00 0.00 ATOM 371 CD2 PHE A 49 85.767 55.615 77.486 1.00 0.00 ATOM 372 CE1 PHE A 49 84.171 57.372 78.860 1.00 0.00 ATOM 373 CE2 PHE A 49 84.793 55.140 78.323 1.00 0.00 ATOM 374 CZ PHE A 49 83.980 56.001 79.032 1.00 0.00 ATOM 375 O PHE A 49 89.124 55.395 77.830 1.00 0.00 ATOM 376 C PHE A 49 88.886 56.208 76.923 1.00 0.00 ATOM 377 N ASP A 50 88.834 55.847 75.649 1.00 0.00 ATOM 378 CA ASP A 50 89.022 54.464 75.228 1.00 0.00 ATOM 379 CB ASP A 50 88.688 54.196 73.739 1.00 0.00 ATOM 380 CG ASP A 50 87.224 54.401 73.402 1.00 0.00 ATOM 381 OD1 ASP A 50 86.387 54.520 74.320 1.00 0.00 ATOM 382 OD2 ASP A 50 86.841 54.449 72.220 1.00 0.00 ATOM 383 O ASP A 50 90.633 52.921 76.211 1.00 0.00 ATOM 384 C ASP A 50 90.425 53.932 75.502 1.00 0.00 ATOM 385 N HIS A 51 91.453 54.616 75.047 1.00 0.00 ATOM 386 CA HIS A 51 92.799 54.140 75.297 1.00 0.00 ATOM 387 CB HIS A 51 93.881 54.940 74.781 1.00 0.00 ATOM 388 CG HIS A 51 94.229 56.187 75.535 1.00 0.00 ATOM 389 CD2 HIS A 51 93.810 57.466 75.387 1.00 0.00 ATOM 390 ND1 HIS A 51 95.164 56.202 76.547 1.00 0.00 ATOM 391 CE1 HIS A 51 95.316 57.437 76.984 1.00 0.00 ATOM 392 NE2 HIS A 51 94.504 58.226 76.299 1.00 0.00 ATOM 393 O HIS A 51 93.740 53.202 77.290 1.00 0.00 ATOM 394 C HIS A 51 93.041 54.083 76.805 1.00 0.00 ATOM 395 N ALA A 52 92.479 55.017 77.566 1.00 0.00 ATOM 396 CA ALA A 52 92.640 54.989 79.023 1.00 0.00 ATOM 397 CB ALA A 52 92.019 56.228 79.647 1.00 0.00 ATOM 398 O ALA A 52 92.467 53.063 80.459 1.00 0.00 ATOM 399 C ALA A 52 91.946 53.737 79.566 1.00 0.00 ATOM 400 N GLY A 53 90.770 53.418 79.022 1.00 0.00 ATOM 401 CA GLY A 53 90.070 52.215 79.464 1.00 0.00 ATOM 402 O GLY A 53 90.921 50.015 79.936 1.00 0.00 ATOM 403 C GLY A 53 90.932 50.984 79.166 1.00 0.00 ATOM 404 N PHE A 54 91.683 51.018 78.064 1.00 0.00 ATOM 405 CA PHE A 54 92.543 49.894 77.724 1.00 0.00 ATOM 406 CB PHE A 54 92.873 49.971 76.211 1.00 0.00 ATOM 407 CG PHE A 54 91.738 49.549 75.333 1.00 0.00 ATOM 408 CD1 PHE A 54 91.310 48.221 75.327 1.00 0.00 ATOM 409 CD2 PHE A 54 91.008 50.496 74.620 1.00 0.00 ATOM 410 CE1 PHE A 54 90.160 47.847 74.635 1.00 0.00 ATOM 411 CE2 PHE A 54 89.862 50.134 73.922 1.00 0.00 ATOM 412 CZ PHE A 54 89.435 48.806 73.934 1.00 0.00 ATOM 413 O PHE A 54 94.082 48.716 79.120 1.00 0.00 ATOM 414 C PHE A 54 93.697 49.810 78.719 1.00 0.00 ATOM 415 N ASP A 55 94.263 50.936 79.131 1.00 0.00 ATOM 416 CA ASP A 55 95.347 50.946 80.114 1.00 0.00 ATOM 417 CB ASP A 55 95.856 52.264 80.487 1.00 0.00 ATOM 418 CG ASP A 55 96.644 52.881 79.345 1.00 0.00 ATOM 419 OD1 ASP A 55 97.100 52.132 78.456 1.00 0.00 ATOM 420 OD2 ASP A 55 96.817 54.119 79.346 1.00 0.00 ATOM 421 O ASP A 55 95.448 49.469 82.054 1.00 0.00 ATOM 422 C ASP A 55 94.822 50.313 81.403 1.00 0.00 ATOM 423 N ALA A 56 93.629 50.741 81.764 1.00 0.00 ATOM 424 CA ALA A 56 93.023 50.231 82.959 1.00 0.00 ATOM 425 CB ALA A 56 91.637 50.794 83.134 1.00 0.00 ATOM 426 O ALA A 56 93.073 47.989 83.797 1.00 0.00 ATOM 427 C ALA A 56 92.778 48.736 82.857 1.00 0.00 ATOM 428 N PHE A 57 92.141 48.347 81.747 1.00 0.00 ATOM 429 CA PHE A 57 91.815 46.965 81.494 1.00 0.00 ATOM 430 CB PHE A 57 91.319 46.714 80.063 1.00 0.00 ATOM 431 CG PHE A 57 89.846 47.020 79.908 1.00 0.00 ATOM 432 CD1 PHE A 57 89.119 47.636 80.936 1.00 0.00 ATOM 433 CD2 PHE A 57 89.198 46.690 78.716 1.00 0.00 ATOM 434 CE1 PHE A 57 87.756 47.908 80.753 1.00 0.00 ATOM 435 CE2 PHE A 57 87.838 46.947 78.510 1.00 0.00 ATOM 436 CZ PHE A 57 87.129 47.560 79.547 1.00 0.00 ATOM 437 O PHE A 57 93.059 45.014 82.216 1.00 0.00 ATOM 438 C PHE A 57 93.082 46.065 81.582 1.00 0.00 ATOM 439 N CYS A 58 94.164 46.504 80.959 1.00 0.00 ATOM 440 CA CYS A 58 95.363 45.709 80.918 1.00 0.00 ATOM 441 CB CYS A 58 96.374 46.260 79.929 1.00 0.00 ATOM 442 SG CYS A 58 95.831 46.186 78.164 1.00 0.00 ATOM 443 O CYS A 58 96.478 44.585 82.688 1.00 0.00 ATOM 444 C CYS A 58 95.978 45.617 82.316 1.00 0.00 ATOM 445 N HIS A 59 95.985 46.693 83.106 1.00 0.00 ATOM 446 CA HIS A 59 96.594 46.655 84.403 1.00 0.00 ATOM 447 CB HIS A 59 96.548 47.991 85.050 1.00 0.00 ATOM 448 CG HIS A 59 97.625 48.896 84.550 1.00 0.00 ATOM 449 CD2 HIS A 59 98.563 48.739 83.551 1.00 0.00 ATOM 450 ND1 HIS A 59 97.853 50.144 85.059 1.00 0.00 ATOM 451 CE1 HIS A 59 98.864 50.699 84.420 1.00 0.00 ATOM 452 NE2 HIS A 59 99.331 49.863 83.489 1.00 0.00 ATOM 453 O HIS A 59 96.553 44.979 86.122 1.00 0.00 ATOM 454 C HIS A 59 95.908 45.672 85.330 1.00 0.00 ATOM 455 N ALA A 60 94.550 45.603 85.281 1.00 0.00 ATOM 456 CA ALA A 60 93.807 44.668 86.149 1.00 0.00 ATOM 457 CB ALA A 60 92.312 44.960 86.062 1.00 0.00 ATOM 458 O ALA A 60 94.415 42.376 86.561 1.00 0.00 ATOM 459 C ALA A 60 94.118 43.216 85.729 1.00 0.00 ATOM 460 N GLY A 61 94.020 42.897 84.461 1.00 0.00 ATOM 461 CA GLY A 61 94.367 41.531 84.078 1.00 0.00 ATOM 462 O GLY A 61 96.136 40.069 84.672 1.00 0.00 ATOM 463 C GLY A 61 95.788 41.193 84.351 1.00 0.00 ATOM 464 N LEU A 62 96.669 42.185 84.236 1.00 0.00 ATOM 465 CA LEU A 62 98.063 42.009 84.652 1.00 0.00 ATOM 466 CB LEU A 62 98.847 43.317 84.389 1.00 0.00 ATOM 467 CG LEU A 62 100.310 43.334 84.845 1.00 0.00 ATOM 468 CD1 LEU A 62 101.103 42.236 84.138 1.00 0.00 ATOM 469 CD2 LEU A 62 100.903 44.702 84.551 1.00 0.00 ATOM 470 O LEU A 62 98.826 40.712 86.498 1.00 0.00 ATOM 471 C LEU A 62 98.101 41.642 86.132 1.00 0.00 ATOM 472 N ALA A 63 97.354 42.369 86.961 1.00 0.00 ATOM 473 CA ALA A 63 97.281 42.042 88.383 1.00 0.00 ATOM 474 CB ALA A 63 96.344 43.011 89.088 1.00 0.00 ATOM 475 O ALA A 63 97.219 39.899 89.469 1.00 0.00 ATOM 476 C ALA A 63 96.752 40.621 88.588 1.00 0.00 ATOM 477 N GLU A 64 95.742 40.233 87.796 1.00 0.00 ATOM 478 CA GLU A 64 95.164 38.897 87.889 1.00 0.00 ATOM 479 CB GLU A 64 93.960 38.737 86.956 1.00 0.00 ATOM 480 CG GLU A 64 92.743 39.552 87.365 1.00 0.00 ATOM 481 CD GLU A 64 91.618 39.466 86.354 1.00 0.00 ATOM 482 OE1 GLU A 64 91.817 38.829 85.297 1.00 0.00 ATOM 483 OE2 GLU A 64 90.538 40.035 86.617 1.00 0.00 ATOM 484 O GLU A 64 96.314 36.824 88.194 1.00 0.00 ATOM 485 C GLU A 64 96.213 37.847 87.537 1.00 0.00 ATOM 486 N ALA A 65 96.986 38.119 86.492 1.00 0.00 ATOM 487 CA ALA A 65 98.044 37.212 86.058 1.00 0.00 ATOM 488 CB ALA A 65 98.713 37.731 84.796 1.00 0.00 ATOM 489 O ALA A 65 99.605 35.974 87.401 1.00 0.00 ATOM 490 C ALA A 65 99.092 37.069 87.158 1.00 0.00 ATOM 491 N LEU A 66 99.405 38.167 87.832 1.00 0.00 ATOM 492 CA LEU A 66 100.379 38.132 88.914 1.00 0.00 ATOM 493 CB LEU A 66 100.679 39.529 89.460 1.00 0.00 ATOM 494 CG LEU A 66 101.476 40.457 88.542 1.00 0.00 ATOM 495 CD1 LEU A 66 101.546 41.861 89.125 1.00 0.00 ATOM 496 CD2 LEU A 66 102.897 39.946 88.366 1.00 0.00 ATOM 497 O LEU A 66 100.608 36.485 90.641 1.00 0.00 ATOM 498 C LEU A 66 99.854 37.261 90.047 1.00 0.00 ATOM 499 N ALA A 67 98.558 37.372 90.354 1.00 0.00 ATOM 500 CA ALA A 67 97.991 36.573 91.444 1.00 0.00 ATOM 501 CB ALA A 67 96.522 36.926 91.628 1.00 0.00 ATOM 502 O ALA A 67 98.494 34.273 91.949 1.00 0.00 ATOM 503 C ALA A 67 98.108 35.091 91.097 1.00 0.00 ATOM 504 N GLY A 68 97.753 34.735 89.866 1.00 0.00 ATOM 505 CA GLY A 68 97.854 33.334 89.437 1.00 0.00 ATOM 506 O GLY A 68 99.598 31.686 89.750 1.00 0.00 ATOM 507 C GLY A 68 99.311 32.871 89.513 1.00 0.00 ATOM 508 N LEU A 69 100.231 33.810 89.289 1.00 0.00 ATOM 509 CA LEU A 69 101.668 33.510 89.333 1.00 0.00 ATOM 510 CB LEU A 69 102.463 34.548 88.536 1.00 0.00 ATOM 511 CG LEU A 69 102.187 34.603 87.033 1.00 0.00 ATOM 512 CD1 LEU A 69 102.961 35.742 86.387 1.00 0.00 ATOM 513 CD2 LEU A 69 102.609 33.304 86.362 1.00 0.00 ATOM 514 O LEU A 69 103.399 33.338 90.998 1.00 0.00 ATOM 515 C LEU A 69 102.203 33.514 90.767 1.00 0.00 ATOM 516 N ARG A 70 101.313 33.774 91.720 1.00 0.00 ATOM 517 CA ARG A 70 101.671 33.804 93.135 1.00 0.00 ATOM 518 CB ARG A 70 101.221 32.577 93.834 1.00 0.00 ATOM 519 CG ARG A 70 99.762 32.603 94.139 1.00 0.00 ATOM 520 CD ARG A 70 99.496 31.595 95.241 1.00 0.00 ATOM 521 NE ARG A 70 99.745 30.234 94.785 1.00 0.00 ATOM 522 CZ ARG A 70 98.894 29.544 94.039 1.00 0.00 ATOM 523 NH1 ARG A 70 97.750 30.086 93.661 1.00 0.00 ATOM 524 NH2 ARG A 70 99.176 28.293 93.709 1.00 0.00 ATOM 525 O ARG A 70 103.674 34.677 94.139 1.00 0.00 ATOM 526 C ARG A 70 102.701 34.888 93.424 1.00 0.00 ATOM 527 N SER A 71 102.535 36.008 92.735 1.00 0.00 ATOM 528 CA SER A 71 103.384 37.184 92.892 1.00 0.00 ATOM 529 CB SER A 71 104.003 37.589 91.553 1.00 0.00 ATOM 530 OG SER A 71 104.828 38.732 91.698 1.00 0.00 ATOM 531 O SER A 71 102.114 39.236 92.743 1.00 0.00 ATOM 532 C SER A 71 102.445 38.261 93.416 1.00 0.00 ATOM 533 N PHE A 72 102.002 38.052 94.646 1.00 0.00 ATOM 534 CA PHE A 72 101.049 38.923 95.293 1.00 0.00 ATOM 535 CB PHE A 72 100.581 38.257 96.655 1.00 0.00 ATOM 536 CG PHE A 72 99.594 37.154 96.494 1.00 0.00 ATOM 537 CD1 PHE A 72 98.237 37.436 96.296 1.00 0.00 ATOM 538 CD2 PHE A 72 99.985 35.825 96.568 1.00 0.00 ATOM 539 CE1 PHE A 72 97.300 36.423 96.164 1.00 0.00 ATOM 540 CE2 PHE A 72 99.041 34.817 96.451 1.00 0.00 ATOM 541 CZ PHE A 72 97.714 35.123 96.237 1.00 0.00 ATOM 542 O PHE A 72 100.709 41.270 95.508 1.00 0.00 ATOM 543 C PHE A 72 101.507 40.348 95.654 1.00 0.00 ATOM 544 N ASP A 73 102.773 40.429 96.027 1.00 0.00 ATOM 545 CA ASP A 73 103.281 41.808 96.306 1.00 0.00 ATOM 546 CB ASP A 73 104.729 41.739 96.797 1.00 0.00 ATOM 547 CG ASP A 73 104.845 41.154 98.191 1.00 0.00 ATOM 548 OD1 ASP A 73 103.805 41.035 98.873 1.00 0.00 ATOM 549 OD2 ASP A 73 105.974 40.816 98.602 1.00 0.00 ATOM 550 O ASP A 73 102.771 43.808 95.086 1.00 0.00 ATOM 551 C ASP A 73 103.201 42.653 95.042 1.00 0.00 ATOM 552 N GLU A 74 103.597 42.076 93.929 1.00 0.00 ATOM 553 CA GLU A 74 103.541 42.797 92.661 1.00 0.00 ATOM 554 CB GLU A 74 104.246 41.996 91.565 1.00 0.00 ATOM 555 CG GLU A 74 105.757 41.923 91.723 1.00 0.00 ATOM 556 CD GLU A 74 106.408 41.022 90.692 1.00 0.00 ATOM 557 OE1 GLU A 74 105.671 40.395 89.901 1.00 0.00 ATOM 558 OE2 GLU A 74 107.654 40.939 90.679 1.00 0.00 ATOM 559 O GLU A 74 101.769 44.085 91.705 1.00 0.00 ATOM 560 C GLU A 74 102.093 43.031 92.245 1.00 0.00 ATOM 561 N ALA A 75 101.241 42.056 92.505 1.00 0.00 ATOM 562 CA ALA A 75 99.831 42.212 92.162 1.00 0.00 ATOM 563 CB ALA A 75 99.039 40.980 92.498 1.00 0.00 ATOM 564 O ALA A 75 98.451 44.174 92.374 1.00 0.00 ATOM 565 C ALA A 75 99.224 43.390 92.926 1.00 0.00 ATOM 566 N LEU A 76 99.594 43.523 94.198 1.00 0.00 ATOM 567 CA LEU A 76 99.088 44.622 95.014 1.00 0.00 ATOM 568 CB LEU A 76 99.566 44.501 96.461 1.00 0.00 ATOM 569 CG LEU A 76 98.964 43.357 97.281 1.00 0.00 ATOM 570 CD1 LEU A 76 99.655 43.242 98.631 1.00 0.00 ATOM 571 CD2 LEU A 76 97.480 43.589 97.524 1.00 0.00 ATOM 572 O LEU A 76 98.756 46.901 94.337 1.00 0.00 ATOM 573 C LEU A 76 99.544 45.962 94.451 1.00 0.00 ATOM 574 N HIS A 77 100.837 46.069 94.140 1.00 0.00 ATOM 575 CA HIS A 77 101.411 47.288 93.584 1.00 0.00 ATOM 576 CB HIS A 77 102.924 47.170 93.399 1.00 0.00 ATOM 577 CG HIS A 77 103.688 47.133 94.688 1.00 0.00 ATOM 578 CD2 HIS A 77 103.388 47.424 96.082 1.00 0.00 ATOM 579 ND1 HIS A 77 105.011 46.754 94.756 1.00 0.00 ATOM 580 CE1 HIS A 77 105.419 46.819 96.037 1.00 0.00 ATOM 581 NE2 HIS A 77 104.450 47.220 96.838 1.00 0.00 ATOM 582 O HIS A 77 100.622 48.811 91.903 1.00 0.00 ATOM 583 C HIS A 77 100.775 47.630 92.242 1.00 0.00 ATOM 584 N SER A 78 100.413 46.604 91.477 1.00 0.00 ATOM 585 CA SER A 78 99.774 46.830 90.185 1.00 0.00 ATOM 586 CB SER A 78 99.636 45.511 89.420 1.00 0.00 ATOM 587 OG SER A 78 100.907 44.982 89.086 1.00 0.00 ATOM 588 O SER A 78 98.016 48.388 89.658 1.00 0.00 ATOM 589 C SER A 78 98.419 47.485 90.393 1.00 0.00 ATOM 590 N ALA A 79 97.658 46.943 91.319 1.00 0.00 ATOM 591 CA ALA A 79 96.348 47.539 91.620 1.00 0.00 ATOM 592 CB ALA A 79 95.631 46.786 92.731 1.00 0.00 ATOM 593 O ALA A 79 95.804 49.883 91.640 1.00 0.00 ATOM 594 C ALA A 79 96.550 48.993 92.061 1.00 0.00 ATOM 595 N ASP A 80 97.546 49.220 92.888 1.00 0.00 ATOM 596 CA ASP A 80 97.853 50.576 93.353 1.00 0.00 ATOM 597 CB ASP A 80 98.993 50.565 94.371 1.00 0.00 ATOM 598 CG ASP A 80 98.574 49.989 95.710 1.00 0.00 ATOM 599 OD1 ASP A 80 97.355 49.829 95.933 1.00 0.00 ATOM 600 OD2 ASP A 80 99.463 49.698 96.536 1.00 0.00 ATOM 601 O ASP A 80 97.794 52.608 92.080 1.00 0.00 ATOM 602 C ASP A 80 98.249 51.469 92.179 1.00 0.00 ATOM 603 N LYS A 81 99.081 50.948 91.297 1.00 0.00 ATOM 604 CA LYS A 81 99.511 51.727 90.144 1.00 0.00 ATOM 605 CB LYS A 81 100.497 50.920 89.297 1.00 0.00 ATOM 606 CG LYS A 81 101.849 50.704 89.961 1.00 0.00 ATOM 607 CD LYS A 81 102.780 49.898 89.066 1.00 0.00 ATOM 608 CE LYS A 81 104.121 49.660 89.739 1.00 0.00 ATOM 609 NZ LYS A 81 105.032 48.844 88.888 1.00 0.00 ATOM 610 O LYS A 81 98.187 53.216 88.784 1.00 0.00 ATOM 611 C LYS A 81 98.296 52.093 89.285 1.00 0.00 ATOM 612 N ALA A 82 97.365 51.151 89.129 1.00 0.00 ATOM 613 CA ALA A 82 96.183 51.414 88.333 1.00 0.00 ATOM 614 CB ALA A 82 95.338 50.157 88.210 1.00 0.00 ATOM 615 O ALA A 82 94.885 53.399 88.220 1.00 0.00 ATOM 616 C ALA A 82 95.286 52.496 88.924 1.00 0.00 ATOM 617 N LEU A 83 95.010 52.453 90.214 1.00 0.00 ATOM 618 CA LEU A 83 94.135 53.458 90.840 1.00 0.00 ATOM 619 CB LEU A 83 93.772 52.914 92.275 1.00 0.00 ATOM 620 CG LEU A 83 92.937 53.834 93.171 1.00 0.00 ATOM 621 CD1 LEU A 83 91.585 54.098 92.526 1.00 0.00 ATOM 622 CD2 LEU A 83 92.764 53.193 94.537 1.00 0.00 ATOM 623 O LEU A 83 94.021 55.867 90.624 1.00 0.00 ATOM 624 C LEU A 83 94.730 54.871 90.826 1.00 0.00 ATOM 625 N HIS A 84 96.047 54.935 90.971 1.00 0.00 ATOM 626 CA HIS A 84 96.789 56.163 90.813 1.00 0.00 ATOM 627 CB HIS A 84 98.275 55.937 91.024 1.00 0.00 ATOM 628 CG HIS A 84 99.106 57.152 90.755 1.00 0.00 ATOM 629 CD2 HIS A 84 99.890 57.481 89.700 1.00 0.00 ATOM 630 ND1 HIS A 84 99.168 58.221 91.624 1.00 0.00 ATOM 631 CE1 HIS A 84 99.950 59.156 91.115 1.00 0.00 ATOM 632 NE2 HIS A 84 100.401 58.731 89.947 1.00 0.00 ATOM 633 O HIS A 84 96.095 57.884 89.328 1.00 0.00 ATOM 634 C HIS A 84 96.486 56.723 89.443 1.00 0.00 ATOM 635 N TYR A 85 96.642 55.901 88.401 1.00 0.00 ATOM 636 CA TYR A 85 96.387 56.359 87.047 1.00 0.00 ATOM 637 CB TYR A 85 96.761 55.426 86.006 1.00 0.00 ATOM 638 CG TYR A 85 98.262 55.398 85.818 1.00 0.00 ATOM 639 CD1 TYR A 85 98.932 56.494 85.271 1.00 0.00 ATOM 640 CD2 TYR A 85 99.013 54.266 86.157 1.00 0.00 ATOM 641 CE1 TYR A 85 100.311 56.465 85.059 1.00 0.00 ATOM 642 CE2 TYR A 85 100.391 54.227 85.950 1.00 0.00 ATOM 643 CZ TYR A 85 101.031 55.332 85.396 1.00 0.00 ATOM 644 OH TYR A 85 102.382 55.301 85.152 1.00 0.00 ATOM 645 O TYR A 85 94.445 57.382 86.045 1.00 0.00 ATOM 646 C TYR A 85 94.876 56.605 86.877 1.00 0.00 ATOM 647 N PHE A 86 94.034 55.865 87.582 1.00 0.00 ATOM 648 CA PHE A 86 92.611 56.021 87.341 1.00 0.00 ATOM 649 CB PHE A 86 91.810 55.017 88.170 1.00 0.00 ATOM 650 CG PHE A 86 91.953 53.596 87.704 1.00 0.00 ATOM 651 CD1 PHE A 86 92.478 53.310 86.456 1.00 0.00 ATOM 652 CD2 PHE A 86 91.562 52.544 88.516 1.00 0.00 ATOM 653 CE1 PHE A 86 92.610 52.003 86.030 1.00 0.00 ATOM 654 CE2 PHE A 86 91.694 51.238 88.089 1.00 0.00 ATOM 655 CZ PHE A 86 92.215 50.962 86.850 1.00 0.00 ATOM 656 O PHE A 86 91.297 58.015 87.021 1.00 0.00 ATOM 657 C PHE A 86 92.140 57.411 87.714 1.00 0.00 ATOM 658 N ASN A 87 92.578 57.899 88.850 1.00 0.00 ATOM 659 CA ASN A 87 92.223 59.263 89.243 1.00 0.00 ATOM 660 CB ASN A 87 92.936 59.651 90.540 1.00 0.00 ATOM 661 CG ASN A 87 92.364 58.948 91.753 1.00 0.00 ATOM 662 ND2 ASN A 87 93.144 58.892 92.828 1.00 0.00 ATOM 663 OD1 ASN A 87 91.234 58.459 91.724 1.00 0.00 ATOM 664 O ASN A 87 91.767 61.166 87.847 1.00 0.00 ATOM 665 C ASN A 87 92.596 60.305 88.152 1.00 0.00 ATOM 666 N ARG A 88 93.766 60.157 87.621 1.00 0.00 ATOM 667 CA ARG A 88 94.243 61.101 86.570 1.00 0.00 ATOM 668 CB ARG A 88 95.554 60.672 86.067 1.00 0.00 ATOM 669 CG ARG A 88 96.098 61.502 84.954 1.00 0.00 ATOM 670 CD ARG A 88 97.276 60.791 84.323 1.00 0.00 ATOM 671 NE ARG A 88 98.008 61.692 83.445 1.00 0.00 ATOM 672 CZ ARG A 88 98.699 61.306 82.380 1.00 0.00 ATOM 673 NH1 ARG A 88 98.745 60.022 82.051 1.00 0.00 ATOM 674 NH2 ARG A 88 99.350 62.205 81.652 1.00 0.00 ATOM 675 O ARG A 88 93.011 62.023 84.724 1.00 0.00 ATOM 676 C ARG A 88 93.361 61.008 85.351 1.00 0.00 ATOM 677 N ARG A 89 92.961 59.759 84.906 1.00 0.00 ATOM 678 CA ARG A 89 92.105 59.580 83.756 1.00 0.00 ATOM 679 CB ARG A 89 91.948 58.107 83.422 1.00 0.00 ATOM 680 CG ARG A 89 93.203 57.553 82.799 1.00 0.00 ATOM 681 CD ARG A 89 93.245 56.037 82.755 1.00 0.00 ATOM 682 NE ARG A 89 94.626 55.604 82.600 1.00 0.00 ATOM 683 CZ ARG A 89 95.037 54.355 82.742 1.00 0.00 ATOM 684 NH1 ARG A 89 94.174 53.368 82.952 1.00 0.00 ATOM 685 NH2 ARG A 89 96.334 54.092 82.645 1.00 0.00 ATOM 686 O ARG A 89 90.165 60.806 83.044 1.00 0.00 ATOM 687 C ARG A 89 90.736 60.202 83.960 1.00 0.00 ATOM 688 N GLY A 90 90.224 60.069 85.162 1.00 0.00 ATOM 689 CA GLY A 90 88.927 60.628 85.496 1.00 0.00 ATOM 690 O GLY A 90 87.927 62.768 85.113 1.00 0.00 ATOM 691 C GLY A 90 88.920 62.142 85.487 1.00 0.00 ATOM 692 N GLU A 91 90.023 62.728 85.967 1.00 0.00 ATOM 693 CA GLU A 91 90.140 64.183 85.982 1.00 0.00 ATOM 694 CB GLU A 91 91.499 64.616 86.534 1.00 0.00 ATOM 695 CG GLU A 91 91.665 64.388 88.029 1.00 0.00 ATOM 696 CD GLU A 91 93.061 64.713 88.517 1.00 0.00 ATOM 697 OE1 GLU A 91 93.922 65.049 87.677 1.00 0.00 ATOM 698 OE2 GLU A 91 93.295 64.634 89.741 1.00 0.00 ATOM 699 O GLU A 91 89.224 65.623 84.292 1.00 0.00 ATOM 700 C GLU A 91 89.958 64.669 84.543 1.00 0.00 ATOM 701 N LEU A 92 90.573 64.006 83.586 1.00 0.00 ATOM 702 CA LEU A 92 90.486 64.362 82.170 1.00 0.00 ATOM 703 CB LEU A 92 91.608 63.693 81.375 1.00 0.00 ATOM 704 CG LEU A 92 93.037 64.091 81.755 1.00 0.00 ATOM 705 CD1 LEU A 92 94.050 63.278 80.963 1.00 0.00 ATOM 706 CD2 LEU A 92 93.281 65.564 81.470 1.00 0.00 ATOM 707 O LEU A 92 88.571 64.791 80.766 1.00 0.00 ATOM 708 C LEU A 92 89.140 64.011 81.538 1.00 0.00 ATOM 709 N ASN A 93 88.614 62.848 81.915 1.00 0.00 ATOM 710 CA ASN A 93 87.392 62.309 81.370 1.00 0.00 ATOM 711 CB ASN A 93 87.244 62.200 79.953 1.00 0.00 ATOM 712 CG ASN A 93 88.052 61.158 79.232 1.00 0.00 ATOM 713 ND2 ASN A 93 89.367 61.231 79.384 1.00 0.00 ATOM 714 OD1 ASN A 93 87.514 60.286 78.538 1.00 0.00 ATOM 715 O ASN A 93 86.429 60.553 82.688 1.00 0.00 ATOM 716 C ASN A 93 86.482 61.753 82.469 1.00 0.00 ATOM 717 N GLN A 94 85.757 62.591 83.181 1.00 0.00 ATOM 718 CA GLN A 94 84.912 62.109 84.271 1.00 0.00 ATOM 719 CB GLN A 94 84.218 63.266 85.000 1.00 0.00 ATOM 720 CG GLN A 94 83.201 62.808 86.085 1.00 0.00 ATOM 721 CD GLN A 94 82.403 63.932 86.747 1.00 0.00 ATOM 722 OE1 GLN A 94 81.358 63.671 87.357 1.00 0.00 ATOM 723 NE2 GLN A 94 82.894 65.161 86.655 1.00 0.00 ATOM 724 O GLN A 94 83.286 60.377 84.587 1.00 0.00 ATOM 725 C GLN A 94 83.791 61.187 83.810 1.00 0.00 ATOM 726 N ASP A 95 83.389 61.279 82.528 1.00 0.00 ATOM 727 CA ASP A 95 82.339 60.428 81.983 1.00 0.00 ATOM 728 CB ASP A 95 81.839 60.928 80.628 1.00 0.00 ATOM 729 CG ASP A 95 80.917 62.116 80.716 1.00 0.00 ATOM 730 OD1 ASP A 95 80.209 62.294 81.731 1.00 0.00 ATOM 731 OD2 ASP A 95 80.823 62.913 79.752 1.00 0.00 ATOM 732 O ASP A 95 81.833 58.109 81.658 1.00 0.00 ATOM 733 C ASP A 95 82.694 58.945 81.907 1.00 0.00 ATOM 734 N GLU A 96 84.026 58.549 82.044 1.00 0.00 ATOM 735 CA GLU A 96 84.429 57.146 82.016 1.00 0.00 ATOM 736 CB GLU A 96 85.957 57.071 81.954 1.00 0.00 ATOM 737 CG GLU A 96 86.495 55.707 81.553 1.00 0.00 ATOM 738 CD GLU A 96 88.008 55.642 81.597 1.00 0.00 ATOM 739 OE1 GLU A 96 88.643 56.691 81.849 1.00 0.00 ATOM 740 OE2 GLU A 96 88.565 54.545 81.377 1.00 0.00 ATOM 741 O GLU A 96 84.433 56.356 84.291 1.00 0.00 ATOM 742 C GLU A 96 83.862 56.362 83.198 1.00 0.00 ATOM 743 N GLY A 97 82.742 55.679 82.950 1.00 0.00 ATOM 744 CA GLY A 97 82.096 54.904 83.992 1.00 0.00 ATOM 745 O GLY A 97 83.062 53.456 85.641 1.00 0.00 ATOM 746 C GLY A 97 82.949 53.741 84.433 1.00 0.00 ATOM 747 N LYS A 98 83.575 53.074 83.497 1.00 0.00 ATOM 748 CA LYS A 98 84.461 51.957 83.830 1.00 0.00 ATOM 749 CB LYS A 98 85.375 51.596 82.713 1.00 0.00 ATOM 750 CG LYS A 98 84.670 50.953 81.534 1.00 0.00 ATOM 751 CD LYS A 98 85.648 50.719 80.395 1.00 0.00 ATOM 752 CE LYS A 98 84.972 50.047 79.211 1.00 0.00 ATOM 753 NZ LYS A 98 85.873 49.953 78.023 1.00 0.00 ATOM 754 O LYS A 98 86.040 51.670 85.618 1.00 0.00 ATOM 755 C LYS A 98 85.632 52.382 84.718 1.00 0.00 ATOM 756 N LEU A 99 86.173 53.561 84.426 1.00 0.00 ATOM 757 CA LEU A 99 87.275 54.073 85.244 1.00 0.00 ATOM 758 CB LEU A 99 87.771 55.406 84.678 1.00 0.00 ATOM 759 CG LEU A 99 88.897 56.093 85.449 1.00 0.00 ATOM 760 CD1 LEU A 99 90.141 55.217 85.480 1.00 0.00 ATOM 761 CD2 LEU A 99 89.266 57.418 84.799 1.00 0.00 ATOM 762 O LEU A 99 87.573 53.983 87.608 1.00 0.00 ATOM 763 C LEU A 99 86.834 54.330 86.669 1.00 0.00 ATOM 764 N TRP A 100 85.666 54.889 86.881 1.00 0.00 ATOM 765 CA TRP A 100 85.162 55.052 88.259 1.00 0.00 ATOM 766 CB TRP A 100 83.788 55.723 88.255 1.00 0.00 ATOM 767 CG TRP A 100 83.210 55.914 89.622 1.00 0.00 ATOM 768 CD1 TRP A 100 82.167 55.226 90.174 1.00 0.00 ATOM 769 CD2 TRP A 100 83.640 56.855 90.613 1.00 0.00 ATOM 770 CE2 TRP A 100 82.812 56.679 91.742 1.00 0.00 ATOM 771 CE3 TRP A 100 84.643 57.827 90.659 1.00 0.00 ATOM 772 NE1 TRP A 100 81.921 55.679 91.449 1.00 0.00 ATOM 773 CZ2 TRP A 100 82.957 57.442 92.900 1.00 0.00 ATOM 774 CZ3 TRP A 100 84.782 58.581 91.811 1.00 0.00 ATOM 775 CH2 TRP A 100 83.948 58.387 92.915 1.00 0.00 ATOM 776 O TRP A 100 85.543 53.523 90.080 1.00 0.00 ATOM 777 C TRP A 100 85.092 53.690 88.953 1.00 0.00 ATOM 778 N ILE A 101 84.504 52.699 88.269 1.00 0.00 ATOM 779 CA ILE A 101 84.356 51.363 88.818 1.00 0.00 ATOM 780 CB ILE A 101 83.487 50.497 87.837 1.00 0.00 ATOM 781 CG1 ILE A 101 82.054 51.028 87.827 1.00 0.00 ATOM 782 CG2 ILE A 101 83.510 49.013 88.215 1.00 0.00 ATOM 783 CD1 ILE A 101 81.272 50.526 86.625 1.00 0.00 ATOM 784 O ILE A 101 85.875 50.046 90.070 1.00 0.00 ATOM 785 C ILE A 101 85.712 50.703 89.048 1.00 0.00 ATOM 786 N SER A 102 86.662 50.862 88.124 1.00 0.00 ATOM 787 CA SER A 102 88.029 50.326 88.231 1.00 0.00 ATOM 788 CB SER A 102 88.885 50.676 87.074 1.00 0.00 ATOM 789 OG SER A 102 88.365 50.058 85.906 1.00 0.00 ATOM 790 O SER A 102 89.245 50.018 90.290 1.00 0.00 ATOM 791 C SER A 102 88.736 50.807 89.497 1.00 0.00 ATOM 792 N ALA A 103 88.696 52.130 89.696 1.00 0.00 ATOM 793 CA ALA A 103 89.319 52.759 90.843 1.00 0.00 ATOM 794 CB ALA A 103 89.178 54.336 90.649 1.00 0.00 ATOM 795 O ALA A 103 89.283 52.027 93.123 1.00 0.00 ATOM 796 C ALA A 103 88.620 52.368 92.143 1.00 0.00 ATOM 797 N VAL A 104 87.278 52.370 92.162 1.00 0.00 ATOM 798 CA VAL A 104 86.555 51.988 93.372 1.00 0.00 ATOM 799 CB VAL A 104 85.054 52.245 93.250 1.00 0.00 ATOM 800 CG1 VAL A 104 84.362 51.859 94.551 1.00 0.00 ATOM 801 CG2 VAL A 104 84.808 53.720 92.928 1.00 0.00 ATOM 802 O VAL A 104 87.077 50.166 94.858 1.00 0.00 ATOM 803 C VAL A 104 86.871 50.531 93.696 1.00 0.00 ATOM 804 N TYR A 105 86.898 49.689 92.658 1.00 0.00 ATOM 805 CA TYR A 105 87.224 48.279 92.813 1.00 0.00 ATOM 806 CB TYR A 105 87.148 47.548 91.471 1.00 0.00 ATOM 807 CG TYR A 105 87.411 46.063 91.587 1.00 0.00 ATOM 808 CD1 TYR A 105 86.421 45.191 92.035 1.00 0.00 ATOM 809 CD2 TYR A 105 88.666 45.535 91.281 1.00 0.00 ATOM 810 CE1 TYR A 105 86.675 43.827 92.178 1.00 0.00 ATOM 811 CE2 TYR A 105 88.929 44.175 91.420 1.00 0.00 ATOM 812 CZ TYR A 105 87.932 43.328 91.870 1.00 0.00 ATOM 813 OH TYR A 105 88.198 41.986 92.023 1.00 0.00 ATOM 814 O TYR A 105 88.848 47.344 94.317 1.00 0.00 ATOM 815 C TYR A 105 88.618 48.152 93.414 1.00 0.00 ATOM 816 N SER A 106 89.558 48.943 92.906 1.00 0.00 ATOM 817 CA SER A 106 90.923 48.908 93.422 1.00 0.00 ATOM 818 CB SER A 106 91.826 49.843 92.615 1.00 0.00 ATOM 819 OG SER A 106 91.979 49.381 91.284 1.00 0.00 ATOM 820 O SER A 106 91.689 48.754 95.684 1.00 0.00 ATOM 821 C SER A 106 90.954 49.329 94.882 1.00 0.00 ATOM 822 N ARG A 107 90.151 50.327 95.234 1.00 0.00 ATOM 823 CA ARG A 107 90.116 50.795 96.609 1.00 0.00 ATOM 824 CB ARG A 107 89.147 51.969 96.750 1.00 0.00 ATOM 825 CG ARG A 107 89.622 53.249 96.082 1.00 0.00 ATOM 826 CD ARG A 107 88.581 54.351 96.196 1.00 0.00 ATOM 827 NE ARG A 107 89.013 55.580 95.533 1.00 0.00 ATOM 828 CZ ARG A 107 88.263 56.672 95.423 1.00 0.00 ATOM 829 NH1 ARG A 107 88.738 57.743 94.802 1.00 0.00 ATOM 830 NH2 ARG A 107 87.038 56.689 95.932 1.00 0.00 ATOM 831 O ARG A 107 90.240 49.496 98.615 1.00 0.00 ATOM 832 C ARG A 107 89.694 49.648 97.523 1.00 0.00 ATOM 833 N ALA A 108 88.731 48.864 97.066 1.00 0.00 ATOM 834 CA ALA A 108 88.244 47.708 97.807 1.00 0.00 ATOM 835 CB ALA A 108 87.080 47.028 97.100 1.00 0.00 ATOM 836 O ALA A 108 89.542 46.132 99.061 1.00 0.00 ATOM 837 C ALA A 108 89.370 46.700 97.984 1.00 0.00 ATOM 838 N LEU A 109 90.146 46.481 96.927 1.00 0.00 ATOM 839 CA LEU A 109 91.269 45.545 96.994 1.00 0.00 ATOM 840 CB LEU A 109 91.955 45.447 95.606 1.00 0.00 ATOM 841 CG LEU A 109 93.236 44.600 95.489 1.00 0.00 ATOM 842 CD1 LEU A 109 92.988 43.161 95.931 1.00 0.00 ATOM 843 CD2 LEU A 109 93.716 44.624 94.030 1.00 0.00 ATOM 844 O LEU A 109 92.819 45.136 98.788 1.00 0.00 ATOM 845 C LEU A 109 92.322 45.968 98.026 1.00 0.00 ATOM 846 N ALA A 110 92.642 47.239 98.058 1.00 0.00 ATOM 847 CA ALA A 110 93.582 47.744 99.051 1.00 0.00 ATOM 848 CB ALA A 110 93.835 49.232 98.876 1.00 0.00 ATOM 849 O ALA A 110 93.828 47.203 101.364 1.00 0.00 ATOM 850 C ALA A 110 93.054 47.528 100.463 1.00 0.00 ATOM 851 N LEU A 111 91.750 47.728 100.652 1.00 0.00 ATOM 852 CA LEU A 111 91.167 47.472 101.962 1.00 0.00 ATOM 853 CB LEU A 111 89.661 47.826 101.970 1.00 0.00 ATOM 854 CG LEU A 111 89.381 49.326 101.908 1.00 0.00 ATOM 855 CD1 LEU A 111 87.896 49.526 101.614 1.00 0.00 ATOM 856 CD2 LEU A 111 89.742 50.030 103.217 1.00 0.00 ATOM 857 O LEU A 111 91.687 45.694 103.473 1.00 0.00 ATOM 858 C LEU A 111 91.371 46.005 102.326 1.00 0.00 ATOM 859 N ASP A 112 91.172 45.108 101.362 1.00 0.00 ATOM 860 CA ASP A 112 91.389 43.686 101.618 1.00 0.00 ATOM 861 CB ASP A 112 91.137 42.867 100.350 1.00 0.00 ATOM 862 CG ASP A 112 91.281 41.375 100.580 1.00 0.00 ATOM 863 OD1 ASP A 112 90.517 40.824 101.400 1.00 0.00 ATOM 864 OD2 ASP A 112 92.160 40.758 99.941 1.00 0.00 ATOM 865 O ASP A 112 93.102 42.732 103.016 1.00 0.00 ATOM 866 C ASP A 112 92.836 43.425 102.040 1.00 0.00 ATOM 867 N GLY A 113 93.778 44.017 101.335 1.00 0.00 ATOM 868 CA GLY A 113 95.185 43.835 101.661 1.00 0.00 ATOM 869 O GLY A 113 96.430 43.919 103.687 1.00 0.00 ATOM 870 C GLY A 113 95.499 44.383 103.039 1.00 0.00 ATOM 871 N LEU A 114 94.750 45.400 103.460 1.00 0.00 ATOM 872 CA LEU A 114 94.965 46.018 104.767 1.00 0.00 ATOM 873 CB LEU A 114 94.498 47.476 104.744 1.00 0.00 ATOM 874 CG LEU A 114 95.230 48.404 103.774 1.00 0.00 ATOM 875 CD1 LEU A 114 94.603 49.791 103.780 1.00 0.00 ATOM 876 CD2 LEU A 114 96.694 48.542 104.163 1.00 0.00 ATOM 877 O LEU A 114 94.515 45.531 107.088 1.00 0.00 ATOM 878 C LEU A 114 94.250 45.280 105.908 1.00 0.00 ATOM 879 N GLY A 115 93.329 44.393 105.556 1.00 0.00 ATOM 880 CA GLY A 115 92.603 43.657 106.575 1.00 0.00 ATOM 881 O GLY A 115 90.570 43.889 107.787 1.00 0.00 ATOM 882 C GLY A 115 91.299 44.356 106.921 1.00 0.00 ATOM 883 N ARG A 116 91.019 45.486 106.278 1.00 0.00 ATOM 884 CA ARG A 116 89.775 46.213 106.521 1.00 0.00 ATOM 885 CB ARG A 116 90.016 47.366 107.577 1.00 0.00 ATOM 886 CG ARG A 116 90.507 46.846 108.916 1.00 0.00 ATOM 887 CD ARG A 116 90.727 47.941 109.923 1.00 0.00 ATOM 888 NE ARG A 116 91.692 48.943 109.428 1.00 0.00 ATOM 889 CZ ARG A 116 92.993 48.755 109.429 1.00 0.00 ATOM 890 NH1 ARG A 116 93.478 47.668 109.981 1.00 0.00 ATOM 891 NH2 ARG A 116 93.831 49.682 108.985 1.00 0.00 ATOM 892 O ARG A 116 88.249 46.271 104.652 1.00 0.00 ATOM 893 C ARG A 116 88.705 45.628 105.600 1.00 0.00 ATOM 894 N GLY A 117 88.361 44.343 105.918 1.00 0.00 ATOM 895 CA GLY A 117 87.367 43.642 105.124 1.00 0.00 ATOM 896 O GLY A 117 85.465 44.251 103.826 1.00 0.00 ATOM 897 C GLY A 117 85.998 44.270 104.936 1.00 0.00 ATOM 898 N ALA A 118 85.405 44.761 106.004 1.00 0.00 ATOM 899 CA ALA A 118 84.088 45.388 105.939 1.00 0.00 ATOM 900 CB ALA A 118 83.720 45.998 107.286 1.00 0.00 ATOM 901 O ALA A 118 83.216 46.706 104.120 1.00 0.00 ATOM 902 C ALA A 118 84.113 46.559 104.951 1.00 0.00 ATOM 903 N GLU A 119 85.139 47.396 105.048 1.00 0.00 ATOM 904 CA GLU A 119 85.257 48.531 104.136 1.00 0.00 ATOM 905 CB GLU A 119 86.400 49.420 104.663 1.00 0.00 ATOM 906 CG GLU A 119 86.159 50.079 106.056 1.00 0.00 ATOM 907 CD GLU A 119 86.385 49.220 107.313 1.00 0.00 ATOM 908 OE1 GLU A 119 86.666 48.012 107.254 1.00 0.00 ATOM 909 OE2 GLU A 119 86.303 49.777 108.409 1.00 0.00 ATOM 910 O GLU A 119 84.861 48.602 101.767 1.00 0.00 ATOM 911 C GLU A 119 85.423 48.030 102.702 1.00 0.00 ATOM 912 N ALA A 120 86.195 46.960 102.534 1.00 0.00 ATOM 913 CA ALA A 120 86.401 46.389 101.207 1.00 0.00 ATOM 914 CB ALA A 120 87.288 45.157 101.290 1.00 0.00 ATOM 915 O ALA A 120 84.749 46.256 99.448 1.00 0.00 ATOM 916 C ALA A 120 85.039 45.976 100.645 1.00 0.00 ATOM 917 N MET A 121 84.227 45.345 101.453 1.00 0.00 ATOM 918 CA MET A 121 82.910 44.908 100.987 1.00 0.00 ATOM 919 CB MET A 121 82.111 44.126 101.960 1.00 0.00 ATOM 920 CG MET A 121 82.831 42.839 102.286 1.00 0.00 ATOM 921 SD MET A 121 83.373 41.811 100.784 1.00 0.00 ATOM 922 CE MET A 121 82.059 41.466 100.370 1.00 0.00 ATOM 923 O MET A 121 81.454 46.179 99.574 1.00 0.00 ATOM 924 C MET A 121 82.073 46.133 100.638 1.00 0.00 ATOM 925 N PRO A 122 82.075 47.120 101.527 1.00 0.00 ATOM 926 CA PRO A 122 81.299 48.339 101.319 1.00 0.00 ATOM 927 CB PRO A 122 81.426 49.127 102.539 1.00 0.00 ATOM 928 CG PRO A 122 81.464 48.107 103.618 1.00 0.00 ATOM 929 CD PRO A 122 82.242 46.922 103.001 1.00 0.00 ATOM 930 O PRO A 122 80.935 49.686 99.356 1.00 0.00 ATOM 931 C PRO A 122 81.749 49.078 100.063 1.00 0.00 ATOM 932 N GLU A 123 83.051 49.039 99.788 1.00 0.00 ATOM 933 CA GLU A 123 83.562 49.713 98.609 1.00 0.00 ATOM 934 CB GLU A 123 85.088 49.618 98.554 1.00 0.00 ATOM 935 CG GLU A 123 85.802 50.497 99.566 1.00 0.00 ATOM 936 CD GLU A 123 85.498 51.970 99.376 1.00 0.00 ATOM 937 OE1 GLU A 123 85.669 52.471 98.246 1.00 0.00 ATOM 938 OE2 GLU A 123 85.086 52.625 100.357 1.00 0.00 ATOM 939 O GLU A 123 82.588 49.788 96.421 1.00 0.00 ATOM 940 C GLU A 123 83.011 49.085 97.340 1.00 0.00 ATOM 941 N PHE A 124 83.035 47.757 97.280 1.00 0.00 ATOM 942 CA PHE A 124 82.540 47.052 96.104 1.00 0.00 ATOM 943 CB PHE A 124 82.684 45.539 96.290 1.00 0.00 ATOM 944 CG PHE A 124 82.179 44.736 95.124 1.00 0.00 ATOM 945 CD1 PHE A 124 82.946 44.592 93.980 1.00 0.00 ATOM 946 CD2 PHE A 124 80.940 44.124 95.172 1.00 0.00 ATOM 947 CE1 PHE A 124 82.481 43.852 92.908 1.00 0.00 ATOM 948 CE2 PHE A 124 80.475 43.386 94.101 1.00 0.00 ATOM 949 CZ PHE A 124 81.240 43.249 92.972 1.00 0.00 ATOM 950 O PHE A 124 80.600 47.469 94.742 1.00 0.00 ATOM 951 C PHE A 124 81.060 47.356 95.881 1.00 0.00 ATOM 952 N LYS A 125 80.333 47.344 96.962 1.00 0.00 ATOM 953 CA LYS A 125 78.901 47.617 96.921 1.00 0.00 ATOM 954 CB LYS A 125 78.257 47.789 98.233 1.00 0.00 ATOM 955 CG LYS A 125 78.176 46.519 98.941 1.00 0.00 ATOM 956 CD LYS A 125 77.297 45.439 98.248 1.00 0.00 ATOM 957 CE LYS A 125 77.170 44.211 99.072 1.00 0.00 ATOM 958 NZ LYS A 125 76.402 43.083 98.455 1.00 0.00 ATOM 959 O LYS A 125 77.735 49.179 95.508 1.00 0.00 ATOM 960 C LYS A 125 78.643 49.009 96.329 1.00 0.00 ATOM 961 N LYS A 126 79.458 49.991 96.712 1.00 0.00 ATOM 962 CA LYS A 126 79.299 51.336 96.152 1.00 0.00 ATOM 963 CB LYS A 126 80.206 52.343 96.820 1.00 0.00 ATOM 964 CG LYS A 126 79.922 53.785 96.419 1.00 0.00 ATOM 965 CD LYS A 126 78.512 54.209 96.840 1.00 0.00 ATOM 966 CE LYS A 126 78.249 55.649 96.513 1.00 0.00 ATOM 967 NZ LYS A 126 76.888 56.025 96.990 1.00 0.00 ATOM 968 O LYS A 126 78.830 51.942 93.876 1.00 0.00 ATOM 969 C LYS A 126 79.532 51.291 94.644 1.00 0.00 ATOM 970 N VAL A 127 80.507 50.470 94.226 1.00 0.00 ATOM 971 CA VAL A 127 80.821 50.324 92.809 1.00 0.00 ATOM 972 CB VAL A 127 82.175 49.646 92.573 1.00 0.00 ATOM 973 CG1 VAL A 127 82.107 48.162 92.819 1.00 0.00 ATOM 974 CG2 VAL A 127 82.625 49.961 91.147 1.00 0.00 ATOM 975 O VAL A 127 79.359 50.072 90.914 1.00 0.00 ATOM 976 C VAL A 127 79.671 49.669 92.039 1.00 0.00 ATOM 977 N VAL A 128 79.026 48.690 92.649 1.00 0.00 ATOM 978 CA VAL A 128 77.857 48.043 92.051 1.00 0.00 ATOM 979 CB VAL A 128 77.292 46.916 92.933 1.00 0.00 ATOM 980 CG1 VAL A 128 75.972 46.408 92.369 1.00 0.00 ATOM 981 CG2 VAL A 128 78.266 45.750 92.994 1.00 0.00 ATOM 982 O VAL A 128 76.183 49.154 90.724 1.00 0.00 ATOM 983 C VAL A 128 76.776 49.093 91.801 1.00 0.00 ATOM 984 N GLU A 129 76.491 49.919 92.816 1.00 0.00 ATOM 985 CA GLU A 129 75.438 50.908 92.685 1.00 0.00 ATOM 986 CB GLU A 129 75.170 51.625 94.011 1.00 0.00 ATOM 987 CG GLU A 129 74.560 50.683 95.057 1.00 0.00 ATOM 988 CD GLU A 129 74.707 51.211 96.457 1.00 0.00 ATOM 989 OE1 GLU A 129 75.741 51.866 96.706 1.00 0.00 ATOM 990 OE2 GLU A 129 73.822 50.994 97.305 1.00 0.00 ATOM 991 O GLU A 129 74.901 52.261 90.768 1.00 0.00 ATOM 992 C GLU A 129 75.766 51.903 91.570 1.00 0.00 ATOM 993 N MET A 130 77.022 52.295 91.472 1.00 0.00 ATOM 994 CA MET A 130 77.427 53.244 90.452 1.00 0.00 ATOM 995 CB MET A 130 78.876 53.673 90.697 1.00 0.00 ATOM 996 CG MET A 130 79.082 54.456 91.983 1.00 0.00 ATOM 997 SD MET A 130 78.064 55.940 92.065 1.00 0.00 ATOM 998 CE MET A 130 78.808 56.933 90.771 1.00 0.00 ATOM 999 O MET A 130 77.091 53.464 88.078 1.00 0.00 ATOM 1000 C MET A 130 77.354 52.701 89.019 1.00 0.00 ATOM 1001 N ILE A 131 77.636 51.405 88.862 1.00 0.00 ATOM 1002 CA ILE A 131 77.618 50.765 87.545 1.00 0.00 ATOM 1003 CB ILE A 131 78.016 49.292 87.639 1.00 0.00 ATOM 1004 CG1 ILE A 131 79.446 49.192 88.186 1.00 0.00 ATOM 1005 CG2 ILE A 131 77.912 48.626 86.263 1.00 0.00 ATOM 1006 CD1 ILE A 131 79.934 47.774 88.383 1.00 0.00 ATOM 1007 O ILE A 131 76.079 51.131 85.717 1.00 0.00 ATOM 1008 C ILE A 131 76.221 50.885 86.922 1.00 0.00 ATOM 1009 N GLU A 132 75.200 50.656 87.743 1.00 0.00 ATOM 1010 CA GLU A 132 73.808 50.769 87.310 1.00 0.00 ATOM 1011 CB GLU A 132 72.838 50.365 88.395 1.00 0.00 ATOM 1012 CG GLU A 132 72.708 48.854 88.570 1.00 0.00 ATOM 1013 CD GLU A 132 72.189 48.157 87.321 1.00 0.00 ATOM 1014 OE1 GLU A 132 71.149 48.595 86.786 1.00 0.00 ATOM 1015 OE2 GLU A 132 72.814 47.171 86.870 1.00 0.00 ATOM 1016 O GLU A 132 72.927 52.492 85.880 1.00 0.00 ATOM 1017 C GLU A 132 73.519 52.227 86.930 1.00 0.00 ATOM 1018 N GLU A 133 74.004 53.154 87.759 1.00 0.00 ATOM 1019 CA GLU A 133 73.793 54.587 87.487 1.00 0.00 ATOM 1020 CB GLU A 133 74.231 55.469 88.630 1.00 0.00 ATOM 1021 CG GLU A 133 73.995 56.935 88.302 1.00 0.00 ATOM 1022 CD GLU A 133 74.129 57.865 89.492 1.00 0.00 ATOM 1023 OE1 GLU A 133 73.631 57.524 90.590 1.00 0.00 ATOM 1024 OE2 GLU A 133 74.693 58.963 89.309 1.00 0.00 ATOM 1025 O GLU A 133 73.739 55.586 85.303 1.00 0.00 ATOM 1026 C GLU A 133 74.391 54.939 86.129 1.00 0.00 ATOM 1027 N ARG A 134 75.592 54.469 85.879 1.00 0.00 ATOM 1028 CA ARG A 134 76.268 54.739 84.612 1.00 0.00 ATOM 1029 CB ARG A 134 77.756 54.394 84.724 1.00 0.00 ATOM 1030 CG ARG A 134 78.490 55.157 85.811 1.00 0.00 ATOM 1031 CD ARG A 134 78.518 56.649 85.518 1.00 0.00 ATOM 1032 NE ARG A 134 79.321 57.385 86.490 1.00 0.00 ATOM 1033 CZ ARG A 134 79.374 58.710 86.564 1.00 0.00 ATOM 1034 NH1 ARG A 134 80.133 59.293 87.484 1.00 0.00 ATOM 1035 NH2 ARG A 134 78.667 59.451 85.722 1.00 0.00 ATOM 1036 O ARG A 134 75.267 54.603 82.437 1.00 0.00 ATOM 1037 C ARG A 134 75.642 53.983 83.463 1.00 0.00 ATOM 1038 N LYS A 135 75.429 52.691 83.591 1.00 0.00 ATOM 1039 CA LYS A 135 74.773 51.902 82.532 1.00 0.00 ATOM 1040 CB LYS A 135 75.762 50.839 82.045 1.00 0.00 ATOM 1041 CG LYS A 135 77.011 51.407 81.391 1.00 0.00 ATOM 1042 CD LYS A 135 76.665 52.238 80.168 1.00 0.00 ATOM 1043 CE LYS A 135 77.917 52.761 79.484 1.00 0.00 ATOM 1044 NZ LYS A 135 77.592 53.606 78.301 1.00 0.00 ATOM 1045 O LYS A 135 73.863 50.374 84.150 1.00 0.00 ATOM 1046 C LYS A 135 73.652 51.303 83.369 1.00 0.00 ATOM 1047 N GLY A 136 72.404 51.900 83.202 1.00 0.00 ATOM 1048 CA GLY A 136 71.265 51.425 83.958 1.00 0.00 ATOM 1049 O GLY A 136 70.361 49.217 83.992 1.00 0.00 ATOM 1050 C GLY A 136 70.661 50.198 83.312 1.00 0.00 ATOM 1051 N GLU A 137 70.518 50.191 81.979 1.00 0.00 ATOM 1052 CA GLU A 137 69.931 49.066 81.248 1.00 0.00 ATOM 1053 CB GLU A 137 69.393 49.513 79.890 1.00 0.00 ATOM 1054 CG GLU A 137 68.286 50.554 79.972 1.00 0.00 ATOM 1055 CD GLU A 137 67.799 50.995 78.606 1.00 0.00 ATOM 1056 OE1 GLU A 137 68.271 50.434 77.595 1.00 0.00 ATOM 1057 OE2 GLU A 137 66.945 51.908 78.547 1.00 0.00 ATOM 1058 O GLU A 137 70.238 46.721 80.869 1.00 0.00 ATOM 1059 C GLU A 137 70.773 47.797 81.152 1.00 0.00 ATOM 1060 N THR A 138 72.068 47.891 81.395 1.00 0.00 ATOM 1061 CA THR A 138 72.964 46.733 81.369 1.00 0.00 ATOM 1062 CB THR A 138 74.191 46.927 80.422 1.00 0.00 ATOM 1063 CG2 THR A 138 75.110 45.707 80.454 1.00 0.00 ATOM 1064 OG1 THR A 138 73.765 47.148 79.073 1.00 0.00 ATOM 1065 O THR A 138 74.273 47.033 83.369 1.00 0.00 ATOM 1066 C THR A 138 73.478 46.323 82.749 1.00 0.00 ATOM 1067 N PRO A 139 73.033 45.162 83.206 1.00 0.00 ATOM 1068 CA PRO A 139 73.376 44.624 84.520 1.00 0.00 ATOM 1069 CB PRO A 139 72.190 43.721 84.872 1.00 0.00 ATOM 1070 CG PRO A 139 71.693 43.229 83.553 1.00 0.00 ATOM 1071 CD PRO A 139 71.977 44.327 82.567 1.00 0.00 ATOM 1072 O PRO A 139 74.875 42.935 83.701 1.00 0.00 ATOM 1073 C PRO A 139 74.677 43.824 84.526 1.00 0.00 ATOM 1074 N GLY A 140 75.540 44.112 85.495 1.00 0.00 ATOM 1075 CA GLY A 140 76.807 43.407 85.581 1.00 0.00 ATOM 1076 O GLY A 140 77.896 44.732 83.899 1.00 0.00 ATOM 1077 C GLY A 140 77.983 44.171 84.999 1.00 0.00 ATOM 1078 N LYS A 141 79.141 44.188 85.783 1.00 0.00 ATOM 1079 CA LYS A 141 80.336 44.883 85.324 1.00 0.00 ATOM 1080 CB LYS A 141 81.366 44.337 86.661 1.00 0.00 ATOM 1081 CG LYS A 141 80.686 43.975 87.985 1.00 0.00 ATOM 1082 CD LYS A 141 81.675 43.413 89.021 1.00 0.00 ATOM 1083 CE LYS A 141 82.349 42.102 88.580 1.00 0.00 ATOM 1084 NZ LYS A 141 81.389 40.984 88.340 1.00 0.00 ATOM 1085 O LYS A 141 81.261 45.035 83.112 1.00 0.00 ATOM 1086 C LYS A 141 80.857 44.292 84.025 1.00 0.00 ATOM 1087 N GLU A 142 80.877 42.965 83.912 1.00 0.00 ATOM 1088 CA GLU A 142 81.349 42.315 82.692 1.00 0.00 ATOM 1089 CB GLU A 142 81.327 40.794 82.849 1.00 0.00 ATOM 1090 CG GLU A 142 82.372 40.254 83.815 1.00 0.00 ATOM 1091 CD GLU A 142 82.260 38.757 84.016 1.00 0.00 ATOM 1092 OE1 GLU A 142 81.321 38.151 83.460 1.00 0.00 ATOM 1093 OE2 GLU A 142 83.110 38.190 84.734 1.00 0.00 ATOM 1094 O GLU A 142 80.988 42.833 80.382 1.00 0.00 ATOM 1095 C GLU A 142 80.496 42.692 81.502 1.00 0.00 ATOM 1096 N ARG A 143 79.205 42.835 81.743 1.00 0.00 ATOM 1097 CA ARG A 143 78.275 43.174 80.685 1.00 0.00 ATOM 1098 CB ARG A 143 76.830 43.114 81.172 1.00 0.00 ATOM 1099 CG ARG A 143 76.391 41.792 81.784 1.00 0.00 ATOM 1100 CD ARG A 143 75.996 40.762 80.745 1.00 0.00 ATOM 1101 NE ARG A 143 74.856 39.967 81.202 1.00 0.00 ATOM 1102 CZ ARG A 143 74.834 39.242 82.319 1.00 0.00 ATOM 1103 NH1 ARG A 143 75.898 39.196 83.109 1.00 0.00 ATOM 1104 NH2 ARG A 143 73.740 38.568 82.652 1.00 0.00 ATOM 1105 O ARG A 143 78.529 44.846 78.974 1.00 0.00 ATOM 1106 C ARG A 143 78.538 44.592 80.179 1.00 0.00 ATOM 1107 N MET A 144 78.778 45.463 81.095 1.00 0.00 ATOM 1108 CA MET A 144 79.057 46.853 80.736 1.00 0.00 ATOM 1109 CB MET A 144 79.191 47.733 81.981 1.00 0.00 ATOM 1110 CG MET A 144 79.380 49.211 81.679 1.00 0.00 ATOM 1111 SD MET A 144 79.539 50.212 83.170 1.00 0.00 ATOM 1112 CE MET A 144 81.175 49.740 83.722 1.00 0.00 ATOM 1113 O MET A 144 80.386 47.721 78.916 1.00 0.00 ATOM 1114 C MET A 144 80.306 46.938 79.909 1.00 0.00 ATOM 1115 N MET A 145 81.360 46.153 80.276 1.00 0.00 ATOM 1116 CA MET A 145 82.633 46.195 79.601 1.00 0.00 ATOM 1117 CB MET A 145 83.640 45.301 80.325 1.00 0.00 ATOM 1118 CG MET A 145 84.101 45.843 81.668 1.00 0.00 ATOM 1119 SD MET A 145 85.207 44.712 82.534 1.00 0.00 ATOM 1120 CE MET A 145 86.660 44.793 81.488 1.00 0.00 ATOM 1121 O MET A 145 83.024 46.316 77.240 1.00 0.00 ATOM 1122 C MET A 145 82.494 45.696 78.160 1.00 0.00 ATOM 1123 N GLU A 146 81.764 44.598 77.966 1.00 0.00 ATOM 1124 CA GLU A 146 81.593 44.037 76.638 1.00 0.00 ATOM 1125 CB GLU A 146 80.846 42.703 76.714 1.00 0.00 ATOM 1126 CG GLU A 146 81.647 41.579 77.353 1.00 0.00 ATOM 1127 CD GLU A 146 80.835 40.311 77.525 1.00 0.00 ATOM 1128 OE1 GLU A 146 79.627 40.332 77.209 1.00 0.00 ATOM 1129 OE2 GLU A 146 81.408 39.296 77.973 1.00 0.00 ATOM 1130 O GLU A 146 81.126 45.161 74.593 1.00 0.00 ATOM 1131 C GLU A 146 80.805 44.992 75.759 1.00 0.00 ATOM 1132 N VAL A 147 79.799 45.630 76.304 1.00 0.00 ATOM 1133 CA VAL A 147 79.010 46.595 75.540 1.00 0.00 ATOM 1134 CB VAL A 147 77.813 47.116 76.354 1.00 0.00 ATOM 1135 CG1 VAL A 147 77.120 48.252 75.618 1.00 0.00 ATOM 1136 CG2 VAL A 147 76.801 46.004 76.586 1.00 0.00 ATOM 1137 O VAL A 147 79.753 48.279 73.990 1.00 0.00 ATOM 1138 C VAL A 147 79.861 47.804 75.129 1.00 0.00 ATOM 1139 N ALA A 148 80.662 48.332 76.062 1.00 0.00 ATOM 1140 CA ALA A 148 81.589 49.424 75.745 1.00 0.00 ATOM 1141 CB ALA A 148 82.428 49.781 76.961 1.00 0.00 ATOM 1142 O ALA A 148 82.952 49.774 73.805 1.00 0.00 ATOM 1143 C ALA A 148 82.589 48.995 74.681 1.00 0.00 ATOM 1144 N ILE A 149 83.038 47.740 74.766 1.00 0.00 ATOM 1145 CA ILE A 149 83.985 47.191 73.798 1.00 0.00 ATOM 1146 CB ILE A 149 84.468 45.826 74.221 1.00 0.00 ATOM 1147 CG1 ILE A 149 85.397 45.939 75.438 1.00 0.00 ATOM 1148 CG2 ILE A 149 85.144 45.083 73.081 1.00 0.00 ATOM 1149 CD1 ILE A 149 85.762 44.603 76.049 1.00 0.00 ATOM 1150 O ILE A 149 83.898 47.564 71.434 1.00 0.00 ATOM 1151 C ILE A 149 83.324 47.144 72.424 1.00 0.00 ATOM 1152 N ASP A 150 82.081 46.694 72.411 1.00 0.00 ATOM 1153 CA ASP A 150 81.351 46.471 71.163 1.00 0.00 ATOM 1154 CB ASP A 150 80.072 45.673 71.430 1.00 0.00 ATOM 1155 CG ASP A 150 80.350 44.225 71.770 1.00 0.00 ATOM 1156 OD1 ASP A 150 81.497 43.774 71.563 1.00 0.00 ATOM 1157 OD2 ASP A 150 79.423 43.536 72.248 1.00 0.00 ATOM 1158 O ASP A 150 81.126 48.015 69.326 1.00 0.00 ATOM 1159 C ASP A 150 81.015 47.829 70.540 1.00 0.00 ATOM 1160 N ARG A 151 80.585 48.752 71.379 1.00 0.00 ATOM 1161 CA ARG A 151 80.229 50.083 70.899 1.00 0.00 ATOM 1162 CB ARG A 151 79.681 50.943 72.035 1.00 0.00 ATOM 1163 CG ARG A 151 79.439 52.400 71.642 1.00 0.00 ATOM 1164 CD ARG A 151 78.805 53.188 72.780 1.00 0.00 ATOM 1165 NE ARG A 151 79.666 53.257 73.956 1.00 0.00 ATOM 1166 CZ ARG A 151 80.693 54.094 74.087 1.00 0.00 ATOM 1167 NH1 ARG A 151 80.992 54.948 73.117 1.00 0.00 ATOM 1168 NH2 ARG A 151 81.428 54.064 75.192 1.00 0.00 ATOM 1169 O ARG A 151 81.386 51.334 69.242 1.00 0.00 ATOM 1170 C ARG A 151 81.472 50.753 70.308 1.00 0.00 ATOM 1171 N ILE A 152 82.602 50.703 71.011 1.00 0.00 ATOM 1172 CA ILE A 152 83.828 51.351 70.532 1.00 0.00 ATOM 1173 CB ILE A 152 84.948 51.171 71.499 1.00 0.00 ATOM 1174 CG1 ILE A 152 84.681 51.862 72.845 1.00 0.00 ATOM 1175 CG2 ILE A 152 86.272 51.604 70.854 1.00 0.00 ATOM 1176 CD1 ILE A 152 85.606 51.557 74.007 1.00 0.00 ATOM 1177 O ILE A 152 84.437 51.492 68.216 1.00 0.00 ATOM 1178 C ILE A 152 84.229 50.761 69.182 1.00 0.00 ATOM 1179 N ALA A 153 84.260 49.453 69.094 1.00 0.00 ATOM 1180 CA ALA A 153 84.640 48.798 67.849 1.00 0.00 ATOM 1181 CB ALA A 153 84.786 47.286 68.078 1.00 0.00 ATOM 1182 O ALA A 153 84.005 49.345 65.593 1.00 0.00 ATOM 1183 C ALA A 153 83.631 49.048 66.728 1.00 0.00 ATOM 1184 N GLN A 154 82.315 48.911 67.061 1.00 0.00 ATOM 1185 CA GLN A 154 81.297 49.145 66.046 1.00 0.00 ATOM 1186 CB GLN A 154 79.900 48.845 66.622 1.00 0.00 ATOM 1187 CG GLN A 154 78.773 48.990 65.608 1.00 0.00 ATOM 1188 CD GLN A 154 77.400 48.766 66.213 1.00 0.00 ATOM 1189 OE1 GLN A 154 77.128 47.716 66.795 1.00 0.00 ATOM 1190 NE2 GLN A 154 76.525 49.756 66.075 1.00 0.00 ATOM 1191 O GLN A 154 81.276 50.843 64.323 1.00 0.00 ATOM 1192 C GLN A 154 81.331 50.596 65.530 1.00 0.00 ATOM 1193 N LEU A 155 81.437 51.542 66.451 1.00 0.00 ATOM 1194 CA LEU A 155 81.479 52.944 66.087 1.00 0.00 ATOM 1195 CB LEU A 155 81.554 53.823 67.336 1.00 0.00 ATOM 1196 CG LEU A 155 80.288 53.890 68.194 1.00 0.00 ATOM 1197 CD1 LEU A 155 80.554 54.642 69.490 1.00 0.00 ATOM 1198 CD2 LEU A 155 79.171 54.607 67.450 1.00 0.00 ATOM 1199 O LEU A 155 82.706 54.026 64.323 1.00 0.00 ATOM 1200 C LEU A 155 82.730 53.215 65.252 1.00 0.00 ATOM 1201 N GLY A 156 83.836 52.580 65.624 1.00 0.00 ATOM 1202 CA GLY A 156 85.089 52.753 64.901 1.00 0.00 ATOM 1203 O GLY A 156 85.424 53.031 62.536 1.00 0.00 ATOM 1204 C GLY A 156 84.932 52.345 63.441 1.00 0.00 ATOM 1205 N ALA A 157 84.188 51.254 63.219 1.00 0.00 ATOM 1206 CA ALA A 157 83.940 50.758 61.868 1.00 0.00 ATOM 1207 CB ALA A 157 83.197 49.432 61.894 1.00 0.00 ATOM 1208 O ALA A 157 83.432 52.047 59.906 1.00 0.00 ATOM 1209 C ALA A 157 83.117 51.758 61.061 1.00 0.00 ATOM 1210 N SER A 158 82.115 52.353 61.704 1.00 0.00 ATOM 1211 CA SER A 158 81.280 53.345 61.039 1.00 0.00 ATOM 1212 CB SER A 158 80.144 53.792 61.961 1.00 0.00 ATOM 1213 OG SER A 158 79.237 52.732 62.206 1.00 0.00 ATOM 1214 O SER A 158 82.075 55.056 59.555 1.00 0.00 ATOM 1215 C SER A 158 82.137 54.550 60.675 1.00 0.00 ATOM 1216 N ASN A 159 82.951 54.998 61.629 1.00 0.00 ATOM 1217 CA ASN A 159 83.817 56.146 61.406 1.00 0.00 ATOM 1218 CB ASN A 159 84.501 56.559 62.711 1.00 0.00 ATOM 1219 CG ASN A 159 83.546 57.216 63.687 1.00 0.00 ATOM 1220 ND2 ASN A 159 83.918 57.224 64.961 1.00 0.00 ATOM 1221 OD1 ASN A 159 82.486 57.708 63.297 1.00 0.00 ATOM 1222 O ASN A 159 85.329 56.756 59.628 1.00 0.00 ATOM 1223 C ASN A 159 84.865 55.841 60.320 1.00 0.00 ATOM 1224 N GLN A 160 85.243 54.594 60.209 1.00 0.00 ATOM 1225 CA GLN A 160 86.230 54.226 59.200 1.00 0.00 ATOM 1226 CB GLN A 160 86.684 52.796 59.325 1.00 0.00 ATOM 1227 CG GLN A 160 87.438 52.508 60.618 1.00 0.00 ATOM 1228 CD GLN A 160 88.582 53.476 60.861 1.00 0.00 ATOM 1229 OE1 GLN A 160 88.666 54.103 61.919 1.00 0.00 ATOM 1230 NE2 GLN A 160 89.466 53.610 59.880 1.00 0.00 ATOM 1231 O GLN A 160 86.271 55.040 56.924 1.00 0.00 ATOM 1232 C GLN A 160 85.589 54.564 57.832 1.00 0.00 ATOM 1233 N GLN A 161 84.236 54.301 57.634 1.00 0.00 ATOM 1234 CA GLN A 161 83.566 54.551 56.355 1.00 0.00 ATOM 1235 CB GLN A 161 82.251 53.772 56.298 1.00 0.00 ATOM 1236 CG GLN A 161 82.422 52.262 56.282 1.00 0.00 ATOM 1237 CD GLN A 161 81.103 51.524 56.367 1.00 0.00 ATOM 1238 OE1 GLN A 161 80.040 52.140 56.458 1.00 0.00 ATOM 1239 NE2 GLN A 161 81.164 50.198 56.337 1.00 0.00 ATOM 1240 O GLN A 161 83.550 56.600 55.099 1.00 0.00 ATOM 1241 C GLN A 161 83.321 56.053 56.175 1.00 0.00 ATOM 1242 N LYS A 162 82.893 56.710 57.249 1.00 0.00 ATOM 1243 CA LYS A 162 82.649 58.158 57.252 1.00 0.00 ATOM 1244 CB LYS A 162 81.248 58.413 56.579 1.00 0.00 ATOM 1245 CG LYS A 162 80.903 57.732 55.259 1.00 0.00 ATOM 1246 CD LYS A 162 81.344 58.599 54.091 1.00 0.00 ATOM 1247 CE LYS A 162 80.964 57.982 52.749 1.00 0.00 ATOM 1248 NZ LYS A 162 81.037 56.496 52.739 1.00 0.00 ATOM 1249 O LYS A 162 82.526 58.468 59.631 1.00 0.00 ATOM 1250 C LYS A 162 83.177 58.639 58.598 1.00 0.00 ATOM 1251 N LYS A 163 84.367 59.230 58.577 1.00 0.00 ATOM 1252 CA LYS A 163 85.023 59.685 59.797 1.00 0.00 ATOM 1253 CB LYS A 163 86.451 60.148 59.501 1.00 0.00 ATOM 1254 CG LYS A 163 87.380 59.037 59.040 1.00 0.00 ATOM 1255 CD LYS A 163 88.787 59.560 58.794 1.00 0.00 ATOM 1256 CE LYS A 163 89.716 58.452 58.330 1.00 0.00 ATOM 1257 NZ LYS A 163 91.094 58.954 58.075 1.00 0.00 ATOM 1258 O LYS A 163 84.814 61.295 61.553 1.00 0.00 ATOM 1259 C LYS A 163 84.350 60.858 60.498 1.00 0.00 ATOM 1260 N PRO A 164 83.264 61.409 59.824 1.00 0.00 ATOM 1261 CA PRO A 164 82.587 62.558 60.413 1.00 0.00 ATOM 1262 CB PRO A 164 82.689 63.639 59.336 1.00 0.00 ATOM 1263 CG PRO A 164 82.565 62.896 58.047 1.00 0.00 ATOM 1264 CD PRO A 164 83.236 61.570 58.264 1.00 0.00 ATOM 1265 O PRO A 164 80.388 63.266 61.078 1.00 0.00 ATOM 1266 C PRO A 164 81.114 62.319 60.762 1.00 0.00 ATOM 1267 N GLY A 165 80.660 61.072 60.675 1.00 0.00 ATOM 1268 CA GLY A 165 79.263 60.772 60.995 1.00 0.00 ATOM 1269 O GLY A 165 79.522 60.941 63.383 1.00 0.00 ATOM 1270 C GLY A 165 78.944 61.348 62.373 1.00 0.00 ATOM 1271 N TYR A 166 78.022 62.312 62.382 1.00 0.00 ATOM 1272 CA TYR A 166 77.660 62.985 63.623 1.00 0.00 ATOM 1273 CB TYR A 166 76.600 64.057 63.361 1.00 0.00 ATOM 1274 CG TYR A 166 76.138 64.776 64.609 1.00 0.00 ATOM 1275 CD1 TYR A 166 76.900 65.794 65.167 1.00 0.00 ATOM 1276 CD2 TYR A 166 74.939 64.435 65.225 1.00 0.00 ATOM 1277 CE1 TYR A 166 76.484 66.457 66.308 1.00 0.00 ATOM 1278 CE2 TYR A 166 74.509 65.088 66.363 1.00 0.00 ATOM 1279 CZ TYR A 166 75.293 66.105 66.904 1.00 0.00 ATOM 1280 OH TYR A 166 74.876 66.764 68.037 1.00 0.00 ATOM 1281 O TYR A 166 77.495 62.107 65.847 1.00 0.00 ATOM 1282 C TYR A 166 77.092 62.043 64.690 1.00 0.00 ATOM 1283 N LYS A 167 76.151 61.181 64.306 1.00 0.00 ATOM 1284 CA LYS A 167 75.541 60.242 65.254 1.00 0.00 ATOM 1285 CB LYS A 167 74.476 59.394 64.559 1.00 0.00 ATOM 1286 CG LYS A 167 73.227 60.168 64.167 1.00 0.00 ATOM 1287 CD LYS A 167 72.211 59.268 63.485 1.00 0.00 ATOM 1288 CE LYS A 167 70.971 60.046 63.071 1.00 0.00 ATOM 1289 NZ LYS A 167 69.980 59.184 62.370 1.00 0.00 ATOM 1290 O LYS A 167 76.525 58.930 67.011 1.00 0.00 ATOM 1291 C LYS A 167 76.580 59.275 65.829 1.00 0.00 ATOM 1292 N ALA A 168 77.504 58.873 64.987 1.00 0.00 ATOM 1293 CA ALA A 168 78.549 57.950 65.426 1.00 0.00 ATOM 1294 CB ALA A 168 79.446 57.582 64.255 1.00 0.00 ATOM 1295 O ALA A 168 79.665 57.994 67.546 1.00 0.00 ATOM 1296 C ALA A 168 79.400 58.601 66.513 1.00 0.00 ATOM 1297 N TRP A 169 79.816 59.838 66.286 1.00 0.00 ATOM 1298 CA TRP A 169 80.638 60.537 67.271 1.00 0.00 ATOM 1299 CB TRP A 169 81.101 61.891 66.729 1.00 0.00 ATOM 1300 CG TRP A 169 82.176 61.784 65.690 1.00 0.00 ATOM 1301 CD1 TRP A 169 82.053 62.035 64.354 1.00 0.00 ATOM 1302 CD2 TRP A 169 83.540 61.401 65.903 1.00 0.00 ATOM 1303 CE2 TRP A 169 84.184 61.439 64.651 1.00 0.00 ATOM 1304 CE3 TRP A 169 84.279 61.028 67.030 1.00 0.00 ATOM 1305 NE1 TRP A 169 83.255 61.830 63.720 1.00 0.00 ATOM 1306 CZ2 TRP A 169 85.533 61.119 64.495 1.00 0.00 ATOM 1307 CZ3 TRP A 169 85.615 60.711 66.870 1.00 0.00 ATOM 1308 CH2 TRP A 169 86.231 60.759 65.614 1.00 0.00 ATOM 1309 O TRP A 169 80.403 60.631 69.660 1.00 0.00 ATOM 1310 C TRP A 169 79.863 60.790 68.561 1.00 0.00 ATOM 1311 N TRP A 170 78.590 61.142 68.433 1.00 0.00 ATOM 1312 CA TRP A 170 77.752 61.421 69.612 1.00 0.00 ATOM 1313 CB TRP A 170 76.375 61.932 69.182 1.00 0.00 ATOM 1314 CG TRP A 170 75.464 62.245 70.328 1.00 0.00 ATOM 1315 CD1 TRP A 170 75.408 63.412 71.036 1.00 0.00 ATOM 1316 CD2 TRP A 170 74.478 61.379 70.904 1.00 0.00 ATOM 1317 CE2 TRP A 170 73.863 62.086 71.955 1.00 0.00 ATOM 1318 CE3 TRP A 170 74.054 60.073 70.632 1.00 0.00 ATOM 1319 NE1 TRP A 170 74.448 63.325 72.015 1.00 0.00 ATOM 1320 CZ2 TRP A 170 72.847 61.534 72.734 1.00 0.00 ATOM 1321 CZ3 TRP A 170 73.049 59.530 71.409 1.00 0.00 ATOM 1322 CH2 TRP A 170 72.456 60.256 72.446 1.00 0.00 ATOM 1323 O TRP A 170 77.622 60.095 71.620 1.00 0.00 ATOM 1324 C TRP A 170 77.617 60.112 70.384 1.00 0.00 ATOM 1325 N GLU A 171 77.438 59.011 69.662 1.00 0.00 ATOM 1326 CA GLU A 171 77.317 57.717 70.328 1.00 0.00 ATOM 1327 CB GLU A 171 77.005 56.606 69.400 1.00 0.00 ATOM 1328 CG GLU A 171 75.631 56.770 68.772 1.00 0.00 ATOM 1329 CD GLU A 171 75.313 55.619 67.872 1.00 0.00 ATOM 1330 OE1 GLU A 171 74.799 54.587 68.401 1.00 0.00 ATOM 1331 OE2 GLU A 171 75.590 55.737 66.670 1.00 0.00 ATOM 1332 O GLU A 171 78.540 56.833 72.190 1.00 0.00 ATOM 1333 C GLU A 171 78.601 57.378 71.086 1.00 0.00 ATOM 1334 N PHE A 172 79.751 57.717 70.486 1.00 0.00 ATOM 1335 CA PHE A 172 81.011 57.418 71.162 1.00 0.00 ATOM 1336 CB PHE A 172 82.044 58.435 70.239 1.00 0.00 ATOM 1337 CG PHE A 172 83.534 58.248 70.352 1.00 0.00 ATOM 1338 CD1 PHE A 172 84.244 57.567 69.366 1.00 0.00 ATOM 1339 CD2 PHE A 172 84.232 58.765 71.442 1.00 0.00 ATOM 1340 CE1 PHE A 172 85.629 57.405 69.461 1.00 0.00 ATOM 1341 CE2 PHE A 172 85.618 58.609 71.550 1.00 0.00 ATOM 1342 CZ PHE A 172 86.318 57.928 70.555 1.00 0.00 ATOM 1343 O PHE A 172 81.731 57.613 73.445 1.00 0.00 ATOM 1344 C PHE A 172 81.174 58.154 72.489 1.00 0.00 ATOM 1345 N TRP A 173 80.699 59.381 72.548 1.00 0.00 ATOM 1346 CA TRP A 173 80.769 60.179 73.768 1.00 0.00 ATOM 1347 CB TRP A 173 80.473 61.631 73.667 1.00 0.00 ATOM 1348 CG TRP A 173 81.575 62.323 72.927 1.00 0.00 ATOM 1349 CD1 TRP A 173 81.493 62.936 71.709 1.00 0.00 ATOM 1350 CD2 TRP A 173 82.953 62.408 73.326 1.00 0.00 ATOM 1351 CE2 TRP A 173 83.647 63.078 72.292 1.00 0.00 ATOM 1352 CE3 TRP A 173 83.670 61.975 74.454 1.00 0.00 ATOM 1353 NE1 TRP A 173 82.735 63.390 71.320 1.00 0.00 ATOM 1354 CZ2 TRP A 173 85.023 63.329 72.353 1.00 0.00 ATOM 1355 CZ3 TRP A 173 85.038 62.224 74.514 1.00 0.00 ATOM 1356 CH2 TRP A 173 85.697 62.895 73.466 1.00 0.00 ATOM 1357 O TRP A 173 80.284 59.401 75.990 1.00 0.00 ATOM 1358 C TRP A 173 79.863 59.573 74.845 1.00 0.00 ATOM 1359 N SER A 174 78.634 59.158 74.474 1.00 0.00 ATOM 1360 CA SER A 174 77.757 58.452 75.403 1.00 0.00 ATOM 1361 CB SER A 174 76.328 58.456 74.803 1.00 0.00 ATOM 1362 OG SER A 174 76.324 57.673 73.626 1.00 0.00 ATOM 1363 O SER A 174 79.225 56.562 75.327 1.00 0.00 ATOM 1364 C SER A 174 78.196 57.049 75.789 1.00 0.00 ENDMDL EXPDTA 2hr2A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hr2A ATOM 1 N LYS 2 103.367 64.600 60.887 1.00 0.00 ATOM 2 CA LYS 2 103.859 64.464 62.290 1.00 0.00 ATOM 3 CB LYS 2 104.955 65.511 62.580 1.00 0.00 ATOM 4 CG LYS 2 105.535 65.441 63.990 1.00 0.00 ATOM 5 O LYS 2 102.650 63.484 64.114 1.00 0.00 ATOM 6 C LYS 2 102.752 64.463 63.380 1.00 0.00 ATOM 7 N PRO 3 101.919 65.533 63.486 1.00 0.00 ATOM 8 CA PRO 3 100.898 65.578 64.573 1.00 0.00 ATOM 9 CB PRO 3 100.235 66.956 64.399 1.00 0.00 ATOM 10 CG PRO 3 100.591 67.414 63.034 1.00 0.00 ATOM 11 CD PRO 3 101.884 66.758 62.658 1.00 0.00 ATOM 12 O PRO 3 99.657 63.808 65.616 1.00 0.00 ATOM 13 C PRO 3 99.826 64.480 64.592 1.00 0.00 ATOM 14 N LEU 4 99.096 64.312 63.494 1.00 0.00 ATOM 15 CA LEU 4 98.068 63.263 63.425 1.00 0.00 ATOM 16 CB LEU 4 97.196 63.405 62.182 1.00 0.00 ATOM 17 CG LEU 4 95.882 64.149 62.381 1.00 0.00 ATOM 18 CD1 LEU 4 96.092 65.496 63.064 1.00 0.00 ATOM 19 CD2 LEU 4 95.204 64.301 61.033 1.00 0.00 ATOM 20 O LEU 4 97.874 60.932 63.877 1.00 0.00 ATOM 21 C LEU 4 98.602 61.841 63.485 1.00 0.00 ATOM 22 N LYS 5 99.851 61.640 63.081 1.00 0.00 ATOM 23 CA LYS 5 100.468 60.319 63.135 1.00 0.00 ATOM 24 CB LYS 5 101.905 60.400 62.623 1.00 0.00 ATOM 25 CG LYS 5 102.496 59.102 62.112 1.00 0.00 ATOM 26 CD LYS 5 103.968 59.321 61.722 1.00 0.00 ATOM 27 CE LYS 5 104.585 58.126 61.006 1.00 0.00 ATOM 28 NZ LYS 5 104.625 56.918 61.865 1.00 0.00 ATOM 29 O LYS 5 100.223 58.634 64.841 1.00 0.00 ATOM 30 C LYS 5 100.461 59.815 64.586 1.00 0.00 ATOM 31 N GLU 6 100.706 60.732 65.521 1.00 0.00 ATOM 32 CA GLU 6 100.757 60.427 66.944 1.00 0.00 ATOM 33 CB GLU 6 101.514 61.555 67.657 1.00 0.00 ATOM 34 CG GLU 6 102.970 61.744 67.145 1.00 0.00 ATOM 35 CD GLU 6 103.479 63.185 67.255 1.00 0.00 ATOM 36 OE1 GLU 6 102.912 63.977 68.035 1.00 0.00 ATOM 37 OE2 GLU 6 104.449 63.537 66.543 1.00 0.00 ATOM 38 O GLU 6 99.182 59.395 68.424 1.00 0.00 ATOM 39 C GLU 6 99.365 60.235 67.545 1.00 0.00 ATOM 40 N VAL 7 98.390 61.013 67.081 1.00 0.00 ATOM 41 CA VAL 7 97.006 60.883 67.549 1.00 0.00 ATOM 42 CB VAL 7 96.086 61.962 66.936 1.00 0.00 ATOM 43 CG1 VAL 7 94.618 61.672 67.238 1.00 0.00 ATOM 44 CG2 VAL 7 96.466 63.346 67.441 1.00 0.00 ATOM 45 O VAL 7 95.903 58.814 68.020 1.00 0.00 ATOM 46 C VAL 7 96.460 59.512 67.176 1.00 0.00 ATOM 47 N VAL 8 96.626 59.135 65.912 1.00 0.00 ATOM 48 CA VAL 8 96.150 57.839 65.432 1.00 0.00 ATOM 49 CB VAL 8 96.180 57.747 63.893 1.00 0.00 ATOM 50 CG1 VAL 8 95.804 56.349 63.421 1.00 0.00 ATOM 51 CG2 VAL 8 95.234 58.768 63.288 1.00 0.00 ATOM 52 O VAL 8 96.395 55.683 66.438 1.00 0.00 ATOM 53 C VAL 8 96.959 56.705 66.062 1.00 0.00 ATOM 54 N GLY 9 98.270 56.889 66.191 1.00 0.00 ATOM 55 CA GLY 9 99.130 55.883 66.809 1.00 0.00 ATOM 56 O GLY 9 98.633 54.358 68.587 1.00 0.00 ATOM 57 C GLY 9 98.690 55.534 68.221 1.00 0.00 ATOM 58 N ALA 10 98.367 56.562 69.003 1.00 0.00 ATOM 59 CA ALA 10 97.919 56.390 70.384 1.00 0.00 ATOM 60 CB ALA 10 97.894 57.732 71.105 1.00 0.00 ATOM 61 O ALA 10 96.336 54.828 71.252 1.00 0.00 ATOM 62 C ALA 10 96.548 55.727 70.445 1.00 0.00 ATOM 63 N TYR 11 95.621 56.181 69.604 1.00 0.00 ATOM 64 CA TYR 11 94.281 55.582 69.537 1.00 0.00 ATOM 65 CB TYR 11 93.351 56.349 68.581 1.00 0.00 ATOM 66 CG TYR 11 92.450 57.353 69.270 1.00 0.00 ATOM 67 CD1 TYR 11 92.955 58.523 69.821 1.00 0.00 ATOM 68 CD2 TYR 11 91.080 57.127 69.359 1.00 0.00 ATOM 69 CE1 TYR 11 92.120 59.440 70.453 1.00 0.00 ATOM 70 CE2 TYR 11 90.240 58.032 69.986 1.00 0.00 ATOM 71 CZ TYR 11 90.763 59.187 70.530 1.00 0.00 ATOM 72 OH TYR 11 89.918 60.080 71.149 1.00 0.00 ATOM 73 O TYR 11 93.637 53.298 69.791 1.00 0.00 ATOM 74 C TYR 11 94.323 54.099 69.169 1.00 0.00 ATOM 75 N LEU 12 95.133 53.734 68.178 1.00 0.00 ATOM 76 CA LEU 12 95.239 52.333 67.768 1.00 0.00 ATOM 77 CB LEU 12 95.966 52.200 66.431 1.00 0.00 ATOM 78 CG LEU 12 95.235 52.806 65.230 1.00 0.00 ATOM 79 CD1 LEU 12 96.097 52.736 63.975 1.00 0.00 ATOM 80 CD2 LEU 12 93.905 52.120 64.994 1.00 0.00 ATOM 81 O LEU 12 95.555 50.305 69.000 1.00 0.00 ATOM 82 C LEU 12 95.910 51.471 68.837 1.00 0.00 ATOM 83 N ALA 13 96.875 52.039 69.557 1.00 0.00 ATOM 84 CA ALA 13 97.535 51.318 70.635 1.00 0.00 ATOM 85 CB ALA 13 98.694 52.129 71.195 1.00 0.00 ATOM 86 O ALA 13 96.513 49.877 72.252 1.00 0.00 ATOM 87 C ALA 13 96.524 50.995 71.735 1.00 0.00 ATOM 88 N LEU 14 95.674 51.968 72.077 1.00 0.00 ATOM 89 CA LEU 14 94.656 51.768 73.108 1.00 0.00 ATOM 90 CB LEU 14 94.028 53.090 73.553 1.00 0.00 ATOM 91 CG LEU 14 93.051 53.001 74.738 1.00 0.00 ATOM 92 CD1 LEU 14 93.742 52.489 75.991 1.00 0.00 ATOM 93 CD2 LEU 14 92.423 54.355 75.015 1.00 0.00 ATOM 94 O LEU 14 93.124 49.973 73.437 1.00 0.00 ATOM 95 C LEU 14 93.575 50.793 72.642 1.00 0.00 ATOM 96 N SER 15 93.145 50.878 71.382 1.00 0.00 ATOM 97 CA SER 15 92.145 49.943 70.870 1.00 0.00 ATOM 98 CB SER 15 91.719 50.296 69.445 1.00 0.00 ATOM 99 OG SER 15 90.960 51.492 69.423 1.00 0.00 ATOM 100 O SER 15 91.953 47.605 71.293 1.00 0.00 ATOM 101 C SER 15 92.679 48.516 70.922 1.00 0.00 ATOM 102 N ASP 16 93.948 48.331 70.548 1.00 0.00 ATOM 103 CA ASP 16 94.583 47.012 70.604 1.00 0.00 ATOM 104 CB ASP 16 96.032 47.048 70.080 1.00 0.00 ATOM 105 CG ASP 16 96.121 47.206 68.557 1.00 0.00 ATOM 106 OD1 ASP 16 95.067 47.161 67.895 1.00 0.00 ATOM 107 OD2 ASP 16 97.248 47.369 68.024 1.00 0.00 ATOM 108 O ASP 16 94.223 45.328 72.280 1.00 0.00 ATOM 109 C ASP 16 94.568 46.489 72.040 1.00 0.00 ATOM 110 N ALA 17 94.930 47.351 72.986 1.00 0.00 ATOM 111 CA ALA 17 94.941 46.988 74.403 1.00 0.00 ATOM 112 CB ALA 17 95.430 48.148 75.245 1.00 0.00 ATOM 113 O ALA 17 93.442 45.559 75.588 1.00 0.00 ATOM 114 C ALA 17 93.565 46.549 74.878 1.00 0.00 ATOM 115 N GLN 18 92.534 47.280 74.473 1.00 0.00 ATOM 116 CA GLN 18 91.159 46.956 74.858 1.00 0.00 ATOM 117 CB GLN 18 90.213 48.077 74.447 1.00 0.00 ATOM 118 CG GLN 18 90.425 49.339 75.283 1.00 0.00 ATOM 119 CD GLN 18 89.774 50.568 74.687 1.00 0.00 ATOM 120 OE1 GLN 18 89.208 50.524 73.593 1.00 0.00 ATOM 121 NE2 GLN 18 89.870 51.685 75.398 1.00 0.00 ATOM 122 O GLN 18 90.001 44.873 75.060 1.00 0.00 ATOM 123 C GLN 18 90.698 45.592 74.338 1.00 0.00 ATOM 124 N ARG 19 91.074 45.232 73.111 1.00 0.00 ATOM 125 CA ARG 19 90.731 43.915 72.569 1.00 0.00 ATOM 126 CB ARG 19 91.018 43.814 71.064 1.00 0.00 ATOM 127 CG ARG 19 90.213 44.782 70.212 1.00 0.00 ATOM 128 CD ARG 19 90.110 44.326 68.759 1.00 0.00 ATOM 129 NE ARG 19 91.406 44.027 68.151 1.00 0.00 ATOM 130 CZ ARG 19 92.262 44.933 67.682 1.00 0.00 ATOM 131 NH1 ARG 19 92.008 46.239 67.762 1.00 0.00 ATOM 132 NH2 ARG 19 93.399 44.524 67.149 1.00 0.00 ATOM 133 O ARG 19 90.973 41.744 73.574 1.00 0.00 ATOM 134 C ARG 19 91.501 42.829 73.319 1.00 0.00 ATOM 135 N GLN 20 92.745 43.134 73.672 1.00 0.00 ATOM 136 CA GLN 20 93.593 42.200 74.404 1.00 0.00 ATOM 137 CB GLN 20 95.037 42.703 74.405 1.00 0.00 ATOM 138 CG GLN 20 95.674 42.576 73.032 1.00 0.00 ATOM 139 CD GLN 20 96.976 43.347 72.863 1.00 0.00 ATOM 140 OE1 GLN 20 97.219 44.367 73.516 1.00 0.00 ATOM 141 NE2 GLN 20 97.813 42.865 71.950 1.00 0.00 ATOM 142 O GLN 20 93.186 40.816 76.317 1.00 0.00 ATOM 143 C GLN 20 93.070 41.931 75.825 1.00 0.00 ATOM 144 N LEU 21 92.498 42.943 76.478 1.00 0.00 ATOM 145 CA LEU 21 91.907 42.756 77.807 1.00 0.00 ATOM 146 CB LEU 21 91.384 44.066 78.396 1.00 0.00 ATOM 147 CG LEU 21 92.401 45.117 78.856 1.00 0.00 ATOM 148 CD1 LEU 21 91.710 46.445 79.170 1.00 0.00 ATOM 149 CD2 LEU 21 93.203 44.625 80.060 1.00 0.00 ATOM 150 O LEU 21 90.663 40.850 78.529 1.00 0.00 ATOM 151 C LEU 21 90.760 41.760 77.715 1.00 0.00 ATOM 152 N VAL 22 89.897 41.933 76.719 1.00 0.00 ATOM 153 CA VAL 22 88.776 41.018 76.496 1.00 0.00 ATOM 154 CB VAL 22 87.905 41.482 75.285 1.00 0.00 ATOM 155 CG1 VAL 22 86.968 40.376 74.784 1.00 0.00 ATOM 156 CG2 VAL 22 87.123 42.738 75.652 1.00 0.00 ATOM 157 O VAL 22 88.665 38.636 76.735 1.00 0.00 ATOM 158 C VAL 22 89.268 39.590 76.258 1.00 0.00 ATOM 159 N ALA 23 90.371 39.455 75.526 1.00 0.00 ATOM 160 CA ALA 23 90.950 38.148 75.207 1.00 0.00 ATOM 161 CB ALA 23 91.804 38.260 73.949 1.00 0.00 ATOM 162 O ALA 23 92.224 36.401 76.213 1.00 0.00 ATOM 163 C ALA 23 91.786 37.534 76.331 1.00 0.00 ATOM 164 N GLY 24 92.024 38.277 77.404 1.00 0.00 ATOM 165 CA GLY 24 92.819 37.784 78.516 1.00 0.00 ATOM 166 O GLY 24 95.086 37.239 79.046 1.00 0.00 ATOM 167 C GLY 24 94.324 37.856 78.303 1.00 0.00 ATOM 168 N GLU 25 94.758 38.603 77.290 1.00 0.00 ATOM 169 CA GLU 25 96.177 38.801 77.022 1.00 0.00 ATOM 170 CB GLU 25 96.419 39.032 75.531 1.00 0.00 ATOM 171 CG GLU 25 96.027 37.878 74.646 1.00 0.00 ATOM 172 CD GLU 25 96.385 38.108 73.186 1.00 0.00 ATOM 173 OE1 GLU 25 97.256 38.959 72.893 1.00 0.00 ATOM 174 OE2 GLU 25 95.809 37.415 72.325 1.00 0.00 ATOM 175 O GLU 25 96.903 41.081 77.239 1.00 0.00 ATOM 176 C GLU 25 96.627 40.024 77.812 1.00 0.00 ATOM 177 N TYR 26 96.711 39.868 79.129 1.00 0.00 ATOM 178 CA TYR 26 97.012 40.989 80.018 1.00 0.00 ATOM 179 CB TYR 26 96.725 40.611 81.472 1.00 0.00 ATOM 180 CG TYR 26 95.298 40.171 81.706 1.00 0.00 ATOM 181 CD1 TYR 26 94.232 40.984 81.334 1.00 0.00 ATOM 182 CD2 TYR 26 95.012 38.962 82.329 1.00 0.00 ATOM 183 CE1 TYR 26 92.917 40.596 81.542 1.00 0.00 ATOM 184 CE2 TYR 26 93.696 38.566 82.553 1.00 0.00 ATOM 185 CZ TYR 26 92.652 39.390 82.155 1.00 0.00 ATOM 186 OH TYR 26 91.347 39.020 82.370 1.00 0.00 ATOM 187 O TYR 26 98.602 42.776 80.013 1.00 0.00 ATOM 188 C TYR 26 98.421 41.565 79.882 1.00 0.00 ATOM 189 N ASP 27 99.410 40.711 79.631 1.00 0.00 ATOM 190 CA ASP 27 100.789 41.163 79.426 1.00 0.00 ATOM 191 CB ASP 27 101.729 39.985 79.116 1.00 0.00 ATOM 192 CG ASP 27 101.986 39.081 80.321 1.00 0.00 ATOM 193 OD1 ASP 27 102.264 39.598 81.421 1.00 0.00 ATOM 194 OD2 ASP 27 101.955 37.842 80.160 1.00 0.00 ATOM 195 O ASP 27 101.466 43.209 78.358 1.00 0.00 ATOM 196 C ASP 27 100.864 42.141 78.253 1.00 0.00 ATOM 197 N GLU 28 100.236 41.771 77.140 1.00 0.00 ATOM 198 CA GLU 28 100.240 42.604 75.931 1.00 0.00 ATOM 199 CB GLU 28 99.713 41.853 74.697 1.00 0.00 ATOM 200 CG GLU 28 100.606 40.722 74.172 1.00 0.00 ATOM 201 CD GLU 28 100.612 39.477 75.067 1.00 0.00 ATOM 202 OE1 GLU 28 99.882 39.464 76.088 1.00 0.00 ATOM 203 OE2 GLU 28 101.349 38.512 74.749 1.00 0.00 ATOM 204 O GLU 28 99.800 44.939 75.681 1.00 0.00 ATOM 205 C GLU 28 99.416 43.866 76.132 1.00 0.00 ATOM 206 N ALA 29 98.281 43.724 76.807 1.00 0.00 ATOM 207 CA ALA 29 97.397 44.847 77.074 1.00 0.00 ATOM 208 CB ALA 29 96.133 44.362 77.776 1.00 0.00 ATOM 209 O ALA 29 97.952 47.113 77.638 1.00 0.00 ATOM 210 C ALA 29 98.085 45.919 77.913 1.00 0.00 ATOM 211 N ALA 30 98.813 45.491 78.938 1.00 0.00 ATOM 212 CA ALA 30 99.528 46.421 79.801 1.00 0.00 ATOM 213 CB ALA 30 100.182 45.689 80.949 1.00 0.00 ATOM 214 O ALA 30 100.678 48.397 79.114 1.00 0.00 ATOM 215 C ALA 30 100.570 47.182 78.996 1.00 0.00 ATOM 216 N ALA 31 101.322 46.462 78.167 1.00 0.00 ATOM 217 CA ALA 31 102.346 47.072 77.324 1.00 0.00 ATOM 218 CB ALA 31 103.102 45.999 76.555 1.00 0.00 ATOM 219 O ALA 31 102.301 49.190 76.194 1.00 0.00 ATOM 220 C ALA 31 101.750 48.100 76.358 1.00 0.00 ATOM 221 N ASN 32 100.631 47.755 75.725 1.00 0.00 ATOM 222 CA ASN 32 99.965 48.678 74.795 1.00 0.00 ATOM 223 CB ASN 32 98.901 47.964 73.958 1.00 0.00 ATOM 224 CG ASN 32 99.486 47.208 72.786 1.00 0.00 ATOM 225 ND2 ASN 32 98.837 46.122 72.405 1.00 0.00 ATOM 226 OD1 ASN 32 100.487 47.613 72.210 1.00 0.00 ATOM 227 O ASN 32 99.307 50.973 74.831 1.00 0.00 ATOM 228 C ASN 32 99.360 49.917 75.458 1.00 0.00 ATOM 229 N CYS 33 98.889 49.792 76.698 1.00 0.00 ATOM 230 CA CYS 33 98.380 50.951 77.436 1.00 0.00 ATOM 231 CB CYS 33 97.737 50.537 78.752 1.00 0.00 ATOM 232 SG CYS 33 96.202 49.646 78.559 1.00 0.00 ATOM 233 O CYS 33 99.327 53.138 77.577 1.00 0.00 ATOM 234 C CYS 33 99.500 51.932 77.737 1.00 0.00 ATOM 235 N ARG 34 100.638 51.416 78.192 1.00 0.00 ATOM 236 CA ARG 34 101.791 52.257 78.472 1.00 0.00 ATOM 237 CB ARG 34 102.924 51.461 79.111 1.00 0.00 ATOM 238 CG ARG 34 102.611 50.776 80.435 1.00 0.00 ATOM 239 CD ARG 34 103.876 50.100 80.949 1.00 0.00 ATOM 240 NE ARG 34 103.641 48.912 81.773 1.00 0.00 ATOM 241 CZ ARG 34 103.366 48.900 83.076 1.00 0.00 ATOM 242 NH1 ARG 34 103.228 50.026 83.769 1.00 0.00 ATOM 243 NH2 ARG 34 103.203 47.735 83.694 1.00 0.00 ATOM 244 O ARG 34 102.646 54.063 77.142 1.00 0.00 ATOM 245 C ARG 34 102.290 52.883 77.172 1.00 0.00 ATOM 246 N ARG 35 102.306 52.093 76.099 1.00 0.00 ATOM 247 CA ARG 35 102.758 52.581 74.798 1.00 0.00 ATOM 248 CB ARG 35 102.846 51.440 73.782 1.00 0.00 ATOM 249 CG ARG 35 103.488 51.860 72.461 1.00 0.00 ATOM 250 CD ARG 35 103.865 50.669 71.582 1.00 0.00 ATOM 251 NE ARG 35 102.708 49.933 71.076 1.00 0.00 ATOM 252 CZ ARG 35 101.950 50.308 70.046 1.00 0.00 ATOM 253 NH1 ARG 35 102.182 51.439 69.393 1.00 0.00 ATOM 254 NH2 ARG 35 100.925 49.553 69.672 1.00 0.00 ATOM 255 O ARG 35 102.320 54.670 73.710 1.00 0.00 ATOM 256 C ARG 35 101.844 53.693 74.280 1.00 0.00 ATOM 257 N ALA 36 100.540 53.543 74.494 1.00 0.00 ATOM 258 CA ALA 36 99.568 54.547 74.067 1.00 0.00 ATOM 259 CB ALA 36 98.151 54.076 74.343 1.00 0.00 ATOM 260 O ALA 36 99.723 56.938 74.097 1.00 0.00 ATOM 261 C ALA 36 99.820 55.895 74.743 1.00 0.00 ATOM 262 N MET 37 100.138 55.874 76.037 1.00 0.00 ATOM 263 CA MET 37 100.448 57.105 76.767 1.00 0.00 ATOM 264 CB MET 37 100.465 56.865 78.273 1.00 0.00 ATOM 265 CG MET 37 99.079 56.677 78.853 1.00 0.00 ATOM 266 SD MET 37 99.048 56.365 80.803 1.00 0.00 ATOM 267 CE MET 37 99.733 54.440 80.858 1.00 0.00 ATOM 268 O MET 37 101.892 58.919 76.200 1.00 0.00 ATOM 269 C MET 37 101.777 57.702 76.340 1.00 0.00 ATOM 270 N GLU 38 102.779 56.848 76.146 1.00 0.00 ATOM 271 CA GLU 38 104.091 57.297 75.700 1.00 0.00 ATOM 272 CB GLU 38 105.014 56.092 75.522 1.00 0.00 ATOM 273 CG GLU 38 106.473 56.429 75.215 1.00 0.00 ATOM 274 CD GLU 38 107.389 55.206 75.286 1.00 0.00 ATOM 275 OE1 GLU 38 106.889 54.087 75.558 1.00 0.00 ATOM 276 OE2 GLU 38 108.614 55.368 75.078 1.00 0.00 ATOM 277 O GLU 38 104.579 59.140 74.244 1.00 0.00 ATOM 278 C GLU 38 103.961 58.085 74.397 1.00 0.00 ATOM 279 N ILE 39 103.137 57.582 73.480 1.00 0.00 ATOM 280 CA ILE 39 102.893 58.241 72.200 1.00 0.00 ATOM 281 CB ILE 39 102.121 57.315 71.221 1.00 0.00 ATOM 282 CG1 ILE 39 102.986 56.119 70.822 1.00 0.00 ATOM 283 CG2 ILE 39 101.713 58.078 69.957 1.00 0.00 ATOM 284 CD1 ILE 39 102.241 55.023 70.089 1.00 0.00 ATOM 285 O ILE 39 102.445 60.552 71.770 1.00 0.00 ATOM 286 C ILE 39 102.111 59.539 72.379 1.00 0.00 ATOM 287 N SER 40 101.070 59.505 73.205 1.00 0.00 ATOM 288 CA SER 40 100.241 60.690 73.427 1.00 0.00 ATOM 289 CB SER 40 99.049 60.392 74.339 1.00 0.00 ATOM 290 OG SER 40 99.456 60.256 75.688 1.00 0.00 ATOM 291 O SER 40 100.751 63.013 73.705 1.00 0.00 ATOM 292 C SER 40 101.037 61.856 74.010 1.00 0.00 ATOM 293 N HIS 41 102.038 61.552 74.834 1.00 0.00 ATOM 294 CA HIS 41 102.870 62.597 75.438 1.00 0.00 ATOM 295 CB HIS 41 103.358 62.166 76.824 1.00 0.00 ATOM 296 CG HIS 41 102.248 62.007 77.814 1.00 0.00 ATOM 297 CD2 HIS 41 101.368 62.907 78.312 1.00 0.00 ATOM 298 ND1 HIS 41 101.903 60.791 78.363 1.00 0.00 ATOM 299 CE1 HIS 41 100.878 60.953 79.180 1.00 0.00 ATOM 300 NE2 HIS 41 100.531 62.227 79.164 1.00 0.00 ATOM 301 O HIS 41 104.816 63.920 75.017 1.00 0.00 ATOM 302 C HIS 41 104.029 63.098 74.562 1.00 0.00 ATOM 303 N THR 42 104.132 62.616 73.322 1.00 0.00 ATOM 304 CA THR 42 105.150 63.105 72.384 1.00 0.00 ATOM 305 CB THR 42 105.704 61.991 71.451 1.00 0.00 ATOM 306 CG2 THR 42 106.221 60.800 72.245 1.00 0.00 ATOM 307 OG1 THR 42 104.688 61.568 70.531 1.00 0.00 ATOM 308 O THR 42 105.285 64.722 70.618 1.00 0.00 ATOM 309 C THR 42 104.577 64.194 71.478 1.00 0.00 ATOM 310 N MET 43 103.297 64.518 71.655 1.00 0.00 ATOM 311 CA MET 43 102.649 65.551 70.858 1.00 0.00 ATOM 312 CB MET 43 101.125 65.459 70.996 1.00 0.00 ATOM 313 CG MET 43 100.452 64.413 70.147 1.00 0.00 ATOM 314 SD MET 43 98.523 64.357 70.502 1.00 0.00 ATOM 315 CE MET 43 98.358 62.727 71.387 1.00 0.00 ATOM 316 O MET 43 103.364 67.096 72.522 1.00 0.00 ATOM 317 C MET 43 103.061 66.927 71.340 1.00 0.00 ATOM 318 N PRO 44 103.056 67.922 70.435 1.00 0.00 ATOM 319 CA PRO 44 103.347 69.276 70.897 1.00 0.00 ATOM 320 CB PRO 44 103.475 70.075 69.596 1.00 0.00 ATOM 321 CG PRO 44 102.672 69.311 68.594 1.00 0.00 ATOM 322 CD PRO 44 102.774 67.869 68.986 1.00 0.00 ATOM 323 O PRO 44 101.037 69.279 71.519 1.00 0.00 ATOM 324 C PRO 44 102.155 69.760 71.730 1.00 0.00 ATOM 325 N PRO 45 102.380 70.692 72.672 1.00 0.00 ATOM 326 CA PRO 45 101.266 71.161 73.506 1.00 0.00 ATOM 327 CB PRO 45 101.946 72.110 74.502 1.00 0.00 ATOM 328 CG PRO 45 103.192 72.561 73.810 1.00 0.00 ATOM 329 CD PRO 45 103.643 71.377 73.003 1.00 0.00 ATOM 330 O PRO 45 98.999 71.842 73.123 1.00 0.00 ATOM 331 C PRO 45 100.166 71.898 72.728 1.00 0.00 ATOM 332 N GLU 46 100.532 72.555 71.625 1.00 0.00 ATOM 333 CA GLU 46 99.575 73.308 70.805 1.00 0.00 ATOM 334 CB GLU 46 100.318 74.328 69.927 1.00 0.00 ATOM 335 O GLU 46 97.809 73.023 69.207 1.00 0.00 ATOM 336 C GLU 46 98.631 72.457 69.925 1.00 0.00 ATOM 337 N GLU 47 98.739 71.128 69.962 1.00 0.00 ATOM 338 CA GLU 47 97.851 70.266 69.175 1.00 0.00 ATOM 339 CB GLU 47 98.613 69.055 68.625 1.00 0.00 ATOM 340 CG GLU 47 97.820 68.207 67.634 1.00 0.00 ATOM 341 O GLU 47 96.876 69.274 71.138 1.00 0.00 ATOM 342 C GLU 47 96.674 69.827 70.053 1.00 0.00 ATOM 343 N ALA 48 95.453 70.078 69.578 1.00 0.00 ATOM 344 CA ALA 48 94.230 69.762 70.325 1.00 0.00 ATOM 345 CB ALA 48 93.009 70.308 69.599 1.00 0.00 ATOM 346 O ALA 48 94.033 67.477 69.617 1.00 0.00 ATOM 347 C ALA 48 94.076 68.266 70.563 1.00 0.00 ATOM 348 N PHE 49 93.992 67.889 71.836 1.00 0.00 ATOM 349 CA PHE 49 93.872 66.493 72.240 1.00 0.00 ATOM 350 CB PHE 49 95.211 65.793 72.028 1.00 0.00 ATOM 351 CG PHE 49 95.179 64.332 72.287 1.00 0.00 ATOM 352 CD1 PHE 49 94.746 63.463 71.309 1.00 0.00 ATOM 353 CD2 PHE 49 95.611 63.817 73.497 1.00 0.00 ATOM 354 CE1 PHE 49 94.723 62.110 71.535 1.00 0.00 ATOM 355 CE2 PHE 49 95.594 62.464 73.732 1.00 0.00 ATOM 356 CZ PHE 49 95.151 61.605 72.748 1.00 0.00 ATOM 357 O PHE 49 93.985 67.276 74.501 1.00 0.00 ATOM 358 C PHE 49 93.486 66.467 73.718 1.00 0.00 ATOM 359 N ASP 50 92.597 65.554 74.100 1.00 0.00 ATOM 360 CA ASP 50 92.163 65.444 75.493 1.00 0.00 ATOM 361 CB ASP 50 90.721 64.920 75.553 1.00 0.00 ATOM 362 CG ASP 50 90.164 64.863 76.971 1.00 0.00 ATOM 363 OD1 ASP 50 90.778 65.425 77.903 1.00 0.00 ATOM 364 OD2 ASP 50 89.094 64.254 77.154 1.00 0.00 ATOM 365 O ASP 50 92.831 63.353 76.467 1.00 0.00 ATOM 366 C ASP 50 93.119 64.529 76.266 1.00 0.00 ATOM 367 N HIS 51 94.251 65.082 76.702 1.00 0.00 ATOM 368 CA HIS 51 95.258 64.312 77.444 1.00 0.00 ATOM 369 CB HIS 51 96.519 65.144 77.710 1.00 0.00 ATOM 370 CG HIS 51 97.385 65.338 76.506 1.00 0.00 ATOM 371 CD2 HIS 51 98.391 64.584 76.003 1.00 0.00 ATOM 372 ND1 HIS 51 97.266 66.426 75.667 1.00 0.00 ATOM 373 CE1 HIS 51 98.159 66.333 74.699 1.00 0.00 ATOM 374 NE2 HIS 51 98.854 65.224 74.879 1.00 0.00 ATOM 375 O HIS 51 95.046 62.612 79.106 1.00 0.00 ATOM 376 C HIS 51 94.754 63.757 78.769 1.00 0.00 ATOM 377 N ALA 52 94.015 64.565 79.520 1.00 0.00 ATOM 378 CA ALA 52 93.492 64.142 80.815 1.00 0.00 ATOM 379 CB ALA 52 92.745 65.285 81.474 1.00 0.00 ATOM 380 O ALA 52 92.760 61.920 81.390 1.00 0.00 ATOM 381 C ALA 52 92.587 62.916 80.680 1.00 0.00 ATOM 382 N GLY 53 91.633 63.000 79.755 1.00 0.00 ATOM 383 CA GLY 53 90.705 61.906 79.493 1.00 0.00 ATOM 384 O GLY 53 91.116 59.568 79.317 1.00 0.00 ATOM 385 C GLY 53 91.379 60.687 78.896 1.00 0.00 ATOM 386 N PHE 54 92.255 60.905 77.922 1.00 0.00 ATOM 387 CA PHE 54 92.955 59.808 77.278 1.00 0.00 ATOM 388 CB PHE 54 93.782 60.312 76.102 1.00 0.00 ATOM 389 CG PHE 54 94.403 59.216 75.294 1.00 0.00 ATOM 390 CD1 PHE 54 93.652 58.524 74.359 1.00 0.00 ATOM 391 CD2 PHE 54 95.734 58.873 75.466 1.00 0.00 ATOM 392 CE1 PHE 54 94.213 57.513 73.611 1.00 0.00 ATOM 393 CE2 PHE 54 96.307 57.860 74.717 1.00 0.00 ATOM 394 CZ PHE 54 95.545 57.179 73.790 1.00 0.00 ATOM 395 O PHE 54 93.849 57.819 78.266 1.00 0.00 ATOM 396 C PHE 54 93.840 59.050 78.266 1.00 0.00 ATOM 397 N ASP 55 94.581 59.776 79.099 1.00 0.00 ATOM 398 CA ASP 55 95.425 59.141 80.116 1.00 0.00 ATOM 399 CB ASP 55 96.319 60.171 80.829 1.00 0.00 ATOM 400 CG ASP 55 97.435 60.717 79.931 1.00 0.00 ATOM 401 OD1 ASP 55 97.839 60.034 78.968 1.00 0.00 ATOM 402 OD2 ASP 55 97.924 61.834 80.199 1.00 0.00 ATOM 403 O ASP 55 94.985 57.276 81.585 1.00 0.00 ATOM 404 C ASP 55 94.576 58.351 81.127 1.00 0.00 ATOM 405 N ALA 56 93.394 58.870 81.455 1.00 0.00 ATOM 406 CA ALA 56 92.486 58.176 82.366 1.00 0.00 ATOM 407 CB ALA 56 91.275 59.042 82.666 1.00 0.00 ATOM 408 O ALA 56 91.990 55.833 82.501 1.00 0.00 ATOM 409 C ALA 56 92.039 56.835 81.791 1.00 0.00 ATOM 410 N PHE 57 91.721 56.826 80.502 1.00 0.00 ATOM 411 CA PHE 57 91.278 55.620 79.815 1.00 0.00 ATOM 412 CB PHE 57 90.850 55.962 78.386 1.00 0.00 ATOM 413 CG PHE 57 89.521 56.684 78.278 1.00 0.00 ATOM 414 CD1 PHE 57 89.027 57.503 79.297 1.00 0.00 ATOM 415 CD2 PHE 57 88.800 56.606 77.092 1.00 0.00 ATOM 416 CE1 PHE 57 87.823 58.174 79.153 1.00 0.00 ATOM 417 CE2 PHE 57 87.596 57.277 76.941 1.00 0.00 ATOM 418 CZ PHE 57 87.107 58.063 77.974 1.00 0.00 ATOM 419 O PHE 57 92.184 53.412 80.041 1.00 0.00 ATOM 420 C PHE 57 92.412 54.596 79.799 1.00 0.00 ATOM 421 N CYS 58 93.631 55.059 79.526 1.00 0.00 ATOM 422 CA CYS 58 94.804 54.188 79.511 1.00 0.00 ATOM 423 CB CYS 58 96.045 54.950 79.031 1.00 0.00 ATOM 424 SG CYS 58 95.981 55.502 77.317 1.00 0.00 ATOM 425 O CYS 58 95.374 52.395 81.003 1.00 0.00 ATOM 426 C CYS 58 95.077 53.591 80.891 1.00 0.00 ATOM 427 N HIS 59 94.989 54.422 81.930 1.00 0.00 ATOM 428 CA HIS 59 95.195 53.955 83.308 1.00 0.00 ATOM 429 CB HIS 59 95.253 55.123 84.297 1.00 0.00 ATOM 430 CG HIS 59 96.562 55.848 84.310 1.00 0.00 ATOM 431 CD2 HIS 59 97.791 55.458 84.722 1.00 0.00 ATOM 432 ND1 HIS 59 96.702 57.144 83.862 1.00 0.00 ATOM 433 CE1 HIS 59 97.959 57.523 84.006 1.00 0.00 ATOM 434 NE2 HIS 59 98.641 56.518 84.524 1.00 0.00 ATOM 435 O HIS 59 94.432 52.033 84.536 1.00 0.00 ATOM 436 C HIS 59 94.129 52.950 83.768 1.00 0.00 ATOM 437 N ALA 60 92.888 53.132 83.323 1.00 0.00 ATOM 438 CA ALA 60 91.817 52.202 83.660 1.00 0.00 ATOM 439 CB ALA 60 90.487 52.710 83.135 1.00 0.00 ATOM 440 O ALA 60 92.076 49.817 83.730 1.00 0.00 ATOM 441 C ALA 60 92.131 50.845 83.050 1.00 0.00 ATOM 442 N GLY 61 92.463 50.855 81.761 1.00 0.00 ATOM 443 CA GLY 61 92.828 49.639 81.046 1.00 0.00 ATOM 444 O GLY 61 94.085 47.760 81.823 1.00 0.00 ATOM 445 C GLY 61 94.051 48.979 81.659 1.00 0.00 ATOM 446 N LEU 62 95.050 49.785 82.004 1.00 0.00 ATOM 447 CA LEU 62 96.280 49.274 82.604 1.00 0.00 ATOM 448 CB LEU 62 97.317 50.395 82.756 1.00 0.00 ATOM 449 CG LEU 62 98.674 50.057 83.395 1.00 0.00 ATOM 450 CD1 LEU 62 99.369 48.895 82.699 1.00 0.00 ATOM 451 CD2 LEU 62 99.571 51.276 83.384 1.00 0.00 ATOM 452 O LEU 62 96.553 47.564 84.255 1.00 0.00 ATOM 453 C LEU 62 95.999 48.617 83.953 1.00 0.00 ATOM 454 N ALA 63 95.135 49.238 84.748 1.00 0.00 ATOM 455 CA ALA 63 94.769 48.704 86.061 1.00 0.00 ATOM 456 CB ALA 63 93.863 49.680 86.799 1.00 0.00 ATOM 457 O ALA 63 94.360 46.436 86.710 1.00 0.00 ATOM 458 C ALA 63 94.086 47.347 85.931 1.00 0.00 ATOM 459 N GLU 64 93.198 47.218 84.949 1.00 0.00 ATOM 460 CA GLU 64 92.511 45.949 84.701 1.00 0.00 ATOM 461 CB GLU 64 91.456 46.099 83.594 1.00 0.00 ATOM 462 CG GLU 64 90.755 44.784 83.222 1.00 0.00 ATOM 463 CD GLU 64 89.681 44.928 82.134 1.00 0.00 ATOM 464 OE1 GLU 64 89.269 46.074 81.808 1.00 0.00 ATOM 465 OE2 GLU 64 89.247 43.872 81.612 1.00 0.00 ATOM 466 O GLU 64 93.395 43.723 84.782 1.00 0.00 ATOM 467 C GLU 64 93.506 44.856 84.315 1.00 0.00 ATOM 468 N ALA 65 94.461 45.195 83.451 1.00 0.00 ATOM 469 CA ALA 65 95.470 44.234 83.006 1.00 0.00 ATOM 470 CB ALA 65 96.319 44.828 81.900 1.00 0.00 ATOM 471 O ALA 65 96.601 42.590 84.337 1.00 0.00 ATOM 472 C ALA 65 96.360 43.783 84.161 1.00 0.00 ATOM 473 N LEU 66 96.841 44.744 84.943 1.00 0.00 ATOM 474 CA LEU 66 97.706 44.452 86.080 1.00 0.00 ATOM 475 CB LEU 66 98.259 45.749 86.667 1.00 0.00 ATOM 476 CG LEU 66 99.245 46.488 85.756 1.00 0.00 ATOM 477 CD1 LEU 66 99.488 47.898 86.262 1.00 0.00 ATOM 478 CD2 LEU 66 100.561 45.727 85.624 1.00 0.00 ATOM 479 O LEU 66 97.602 42.798 87.824 1.00 0.00 ATOM 480 C LEU 66 96.986 43.638 87.156 1.00 0.00 ATOM 481 N ALA 67 95.692 43.897 87.332 1.00 0.00 ATOM 482 CA ALA 67 94.882 43.137 88.277 1.00 0.00 ATOM 483 CB ALA 67 93.485 43.738 88.384 1.00 0.00 ATOM 484 O ALA 67 94.905 40.763 88.593 1.00 0.00 ATOM 485 C ALA 67 94.799 41.695 87.796 1.00 0.00 ATOM 486 N GLY 68 94.615 41.529 86.486 1.00 0.00 ATOM 487 CA GLY 68 94.560 40.213 85.856 1.00 0.00 ATOM 488 O GLY 68 95.799 38.200 86.252 1.00 0.00 ATOM 489 C GLY 68 95.842 39.418 86.052 1.00 0.00 ATOM 490 N LEU 69 96.981 40.108 86.008 1.00 0.00 ATOM 491 CA LEU 69 98.282 39.475 86.217 1.00 0.00 ATOM 492 CB LEU 69 99.379 40.296 85.538 1.00 0.00 ATOM 493 CG LEU 69 99.292 40.415 84.014 1.00 0.00 ATOM 494 CD1 LEU 69 100.247 41.487 83.509 1.00 0.00 ATOM 495 CD2 LEU 69 99.565 39.079 83.336 1.00 0.00 ATOM 496 O LEU 69 99.643 38.706 88.033 1.00 0.00 ATOM 497 C LEU 69 98.620 39.297 87.701 1.00 0.00 ATOM 498 N ARG 70 97.756 39.802 88.581 1.00 0.00 ATOM 499 CA ARG 70 97.943 39.750 90.035 1.00 0.00 ATOM 500 CB ARG 70 97.952 38.302 90.554 1.00 0.00 ATOM 501 CG ARG 70 96.687 37.542 90.148 1.00 0.00 ATOM 502 CD ARG 70 96.627 36.129 90.706 1.00 0.00 ATOM 503 NE ARG 70 96.564 36.101 92.170 1.00 0.00 ATOM 504 CZ ARG 70 95.474 36.350 92.900 1.00 0.00 ATOM 505 NH1 ARG 70 94.313 36.674 92.332 1.00 0.00 ATOM 506 NH2 ARG 70 95.547 36.290 94.223 1.00 0.00 ATOM 507 O ARG 70 99.798 40.249 91.486 1.00 0.00 ATOM 508 C ARG 70 99.155 40.573 90.495 1.00 0.00 ATOM 509 N SER 71 99.435 41.646 89.753 1.00 0.00 ATOM 510 CA SER 71 100.475 42.613 90.087 1.00 0.00 ATOM 511 CB SER 71 101.191 43.092 88.826 1.00 0.00 ATOM 512 OG SER 71 102.138 44.098 89.136 1.00 0.00 ATOM 513 O SER 71 99.510 44.815 90.162 1.00 0.00 ATOM 514 C SER 71 99.697 43.746 90.739 1.00 0.00 ATOM 515 N PHE 72 99.251 43.494 91.960 1.00 0.00 ATOM 516 CA PHE 72 98.326 44.394 92.648 1.00 0.00 ATOM 517 CB PHE 72 97.709 43.689 93.858 1.00 0.00 ATOM 518 CG PHE 72 96.943 42.442 93.505 1.00 0.00 ATOM 519 CD1 PHE 72 95.807 42.511 92.709 1.00 0.00 ATOM 520 CD2 PHE 72 97.343 41.202 93.990 1.00 0.00 ATOM 521 CE1 PHE 72 95.086 41.366 92.387 1.00 0.00 ATOM 522 CE2 PHE 72 96.630 40.053 93.678 1.00 0.00 ATOM 523 CZ PHE 72 95.497 40.135 92.874 1.00 0.00 ATOM 524 O PHE 72 98.082 46.734 93.055 1.00 0.00 ATOM 525 C PHE 72 98.848 45.765 93.060 1.00 0.00 ATOM 526 N ASP 73 100.121 45.861 93.424 1.00 0.00 ATOM 527 CA ASP 73 100.665 47.149 93.832 1.00 0.00 ATOM 528 CB ASP 73 102.080 47.005 94.378 1.00 0.00 ATOM 529 CG ASP 73 102.512 48.207 95.209 1.00 0.00 ATOM 530 OD1 ASP 73 101.702 49.142 95.409 1.00 0.00 ATOM 531 OD2 ASP 73 103.669 48.210 95.680 1.00 0.00 ATOM 532 O ASP 73 100.120 49.249 92.803 1.00 0.00 ATOM 533 C ASP 73 100.618 48.134 92.658 1.00 0.00 ATOM 534 N GLU 74 101.111 47.711 91.497 1.00 0.00 ATOM 535 CA GLU 74 101.087 48.558 90.303 1.00 0.00 ATOM 536 CB GLU 74 101.902 47.932 89.169 1.00 0.00 ATOM 537 CG GLU 74 103.399 47.791 89.467 1.00 0.00 ATOM 538 CD GLU 74 104.191 47.171 88.314 1.00 0.00 ATOM 539 OE1 GLU 74 103.606 46.925 87.229 1.00 0.00 ATOM 540 OE2 GLU 74 105.409 46.935 88.498 1.00 0.00 ATOM 541 O GLU 74 99.362 49.908 89.334 1.00 0.00 ATOM 542 C GLU 74 99.660 48.826 89.834 1.00 0.00 ATOM 543 N ALA 75 98.786 47.834 89.985 1.00 0.00 ATOM 544 CA ALA 75 97.380 47.970 89.599 1.00 0.00 ATOM 545 CB ALA 75 96.648 46.641 89.764 1.00 0.00 ATOM 546 O ALA 75 95.972 49.895 89.862 1.00 0.00 ATOM 547 C ALA 75 96.689 49.056 90.415 1.00 0.00 ATOM 548 N LEU 76 96.919 49.039 91.724 1.00 0.00 ATOM 549 CA LEU 76 96.332 50.019 92.625 1.00 0.00 ATOM 550 CB LEU 76 96.783 49.745 94.065 1.00 0.00 ATOM 551 CG LEU 76 96.266 50.677 95.162 1.00 0.00 ATOM 552 CD1 LEU 76 94.753 50.743 95.159 1.00 0.00 ATOM 553 CD2 LEU 76 96.768 50.206 96.508 1.00 0.00 ATOM 554 O LEU 76 95.852 52.319 92.181 1.00 0.00 ATOM 555 C LEU 76 96.710 51.437 92.226 1.00 0.00 ATOM 556 N HIS 77 97.991 51.650 91.934 1.00 0.00 ATOM 557 CA HIS 77 98.468 52.979 91.548 1.00 0.00 ATOM 558 CB HIS 77 99.991 53.086 91.645 1.00 0.00 ATOM 559 CG HIS 77 100.457 53.284 93.056 1.00 0.00 ATOM 560 CD2 HIS 77 100.761 52.396 94.032 1.00 0.00 ATOM 561 ND1 HIS 77 100.563 54.534 93.633 1.00 0.00 ATOM 562 CE1 HIS 77 100.950 54.409 94.889 1.00 0.00 ATOM 563 NE2 HIS 77 101.077 53.121 95.157 1.00 0.00 ATOM 564 O HIS 77 97.577 54.625 90.060 1.00 0.00 ATOM 565 C HIS 77 97.901 53.450 90.213 1.00 0.00 ATOM 566 N SER 78 97.738 52.532 89.268 1.00 0.00 ATOM 567 CA SER 78 97.171 52.889 87.981 1.00 0.00 ATOM 568 CB SER 78 97.365 51.766 86.975 1.00 0.00 ATOM 569 OG SER 78 96.977 52.195 85.687 1.00 0.00 ATOM 570 O SER 78 95.220 54.214 87.562 1.00 0.00 ATOM 571 C SER 78 95.689 53.236 88.138 1.00 0.00 ATOM 572 N ALA 79 94.961 52.449 88.928 1.00 0.00 ATOM 573 CA ALA 79 93.545 52.717 89.171 1.00 0.00 ATOM 574 CB ALA 79 92.921 51.603 89.984 1.00 0.00 ATOM 575 O ALA 79 92.438 54.819 89.512 1.00 0.00 ATOM 576 C ALA 79 93.347 54.071 89.865 1.00 0.00 ATOM 577 N ASP 80 94.198 54.393 90.839 1.00 0.00 ATOM 578 CA ASP 80 94.108 55.681 91.532 1.00 0.00 ATOM 579 CB ASP 80 95.132 55.778 92.672 1.00 0.00 ATOM 580 CG ASP 80 94.799 54.873 93.846 1.00 0.00 ATOM 581 OD1 ASP 80 93.643 54.409 93.938 1.00 0.00 ATOM 582 OD2 ASP 80 95.693 54.640 94.689 1.00 0.00 ATOM 583 O ASP 80 93.609 57.869 90.711 1.00 0.00 ATOM 584 C ASP 80 94.295 56.856 90.577 1.00 0.00 ATOM 585 N LYS 81 95.219 56.727 89.625 1.00 0.00 ATOM 586 CA LYS 81 95.443 57.788 88.641 1.00 0.00 ATOM 587 CB LYS 81 96.743 57.574 87.845 1.00 0.00 ATOM 588 CG LYS 81 98.011 57.854 88.681 1.00 0.00 ATOM 589 CD LYS 81 99.292 57.871 87.853 1.00 0.00 ATOM 590 O LYS 81 93.888 59.089 87.359 1.00 0.00 ATOM 591 C LYS 81 94.219 57.968 87.737 1.00 0.00 ATOM 592 N ALA 82 93.531 56.878 87.416 1.00 0.00 ATOM 593 CA ALA 82 92.312 56.963 86.612 1.00 0.00 ATOM 594 CB ALA 82 91.900 55.588 86.117 1.00 0.00 ATOM 595 O ALA 82 90.445 58.447 86.909 1.00 0.00 ATOM 596 C ALA 82 91.176 57.594 87.415 1.00 0.00 ATOM 597 N LEU 83 91.041 57.176 88.670 1.00 0.00 ATOM 598 CA LEU 83 89.991 57.685 89.545 1.00 0.00 ATOM 599 CB LEU 83 89.894 56.822 90.803 1.00 0.00 ATOM 600 CG LEU 83 89.441 55.381 90.548 1.00 0.00 ATOM 601 CD1 LEU 83 89.669 54.509 91.773 1.00 0.00 ATOM 602 CD2 LEU 83 87.981 55.323 90.110 1.00 0.00 ATOM 603 O LEU 83 89.186 59.852 90.163 1.00 0.00 ATOM 604 C LEU 83 90.171 59.159 89.906 1.00 0.00 ATOM 605 N HIS 84 91.414 59.639 89.924 1.00 0.00 ATOM 606 CA HIS 84 91.687 61.054 90.193 1.00 0.00 ATOM 607 CB HIS 84 93.197 61.335 90.194 1.00 0.00 ATOM 608 CG HIS 84 93.557 62.751 90.536 1.00 0.00 ATOM 609 CD2 HIS 84 93.920 63.794 89.752 1.00 0.00 ATOM 610 ND1 HIS 84 93.594 63.219 91.833 1.00 0.00 ATOM 611 CE1 HIS 84 93.948 64.492 91.833 1.00 0.00 ATOM 612 NE2 HIS 84 94.154 64.865 90.583 1.00 0.00 ATOM 613 O HIS 84 90.477 62.988 89.447 1.00 0.00 ATOM 614 C HIS 84 90.977 61.911 89.141 1.00 0.00 ATOM 615 N TYR 85 90.928 61.412 87.906 1.00 0.00 ATOM 616 CA TYR 85 90.233 62.091 86.813 1.00 0.00 ATOM 617 CB TYR 85 90.755 61.601 85.455 1.00 0.00 ATOM 618 CG TYR 85 90.013 62.179 84.267 1.00 0.00 ATOM 619 CD1 TYR 85 90.304 63.455 83.793 1.00 0.00 ATOM 620 CD2 TYR 85 89.024 61.446 83.612 1.00 0.00 ATOM 621 CE1 TYR 85 89.627 63.989 82.705 1.00 0.00 ATOM 622 CE2 TYR 85 88.341 61.972 82.522 1.00 0.00 ATOM 623 CZ TYR 85 88.650 63.245 82.075 1.00 0.00 ATOM 624 OH TYR 85 87.987 63.777 80.995 1.00 0.00 ATOM 625 O TYR 85 87.959 62.854 86.797 1.00 0.00 ATOM 626 C TYR 85 88.717 61.889 86.882 1.00 0.00 ATOM 627 N PHE 86 88.279 60.639 87.024 1.00 0.00 ATOM 628 CA PHE 86 86.843 60.336 87.040 1.00 0.00 ATOM 629 CB PHE 86 86.579 58.825 87.015 1.00 0.00 ATOM 630 CG PHE 86 86.985 58.151 85.732 1.00 0.00 ATOM 631 CD1 PHE 86 86.425 58.533 84.522 1.00 0.00 ATOM 632 CD2 PHE 86 87.881 57.094 85.742 1.00 0.00 ATOM 633 CE1 PHE 86 86.786 57.901 83.344 1.00 0.00 ATOM 634 CE2 PHE 86 88.243 56.454 84.565 1.00 0.00 ATOM 635 CZ PHE 86 87.693 56.858 83.366 1.00 0.00 ATOM 636 O PHE 86 84.918 61.365 88.025 1.00 0.00 ATOM 637 C PHE 86 86.074 60.979 88.197 1.00 0.00 ATOM 638 N ASN 87 86.695 61.096 89.366 1.00 0.00 ATOM 639 CA ASN 87 86.024 61.732 90.495 1.00 0.00 ATOM 640 CB ASN 87 86.773 61.468 91.805 1.00 0.00 ATOM 641 CG ASN 87 86.731 59.999 92.225 1.00 0.00 ATOM 642 ND2 ASN 87 87.568 59.648 93.189 1.00 0.00 ATOM 643 OD1 ASN 87 85.955 59.194 91.694 1.00 0.00 ATOM 644 O ASN 87 84.874 63.817 90.762 1.00 0.00 ATOM 645 C ASN 87 85.831 63.232 90.257 1.00 0.00 ATOM 646 N ARG 88 86.716 63.842 89.468 1.00 0.00 ATOM 647 CA ARG 88 86.627 65.268 89.154 1.00 0.00 ATOM 648 CB ARG 88 88.026 65.858 88.934 1.00 0.00 ATOM 649 O ARG 88 84.777 66.301 88.035 1.00 0.00 ATOM 650 C ARG 88 85.752 65.557 87.929 1.00 0.00 ATOM 651 N ARG 89 86.087 64.961 86.782 1.00 0.00 ATOM 652 CA ARG 89 85.380 65.234 85.513 1.00 0.00 ATOM 653 CB ARG 89 86.378 65.784 84.469 1.00 0.00 ATOM 654 CG ARG 89 87.067 67.101 84.852 1.00 0.00 ATOM 655 CD ARG 89 87.978 67.615 83.730 1.00 0.00 ATOM 656 O ARG 89 84.277 64.085 83.717 1.00 0.00 ATOM 657 C ARG 89 84.630 64.044 84.897 1.00 0.00 ATOM 658 N GLY 90 84.361 63.002 85.677 1.00 0.00 ATOM 659 CA GLY 90 83.695 61.811 85.142 1.00 0.00 ATOM 660 O GLY 90 81.530 62.609 85.793 1.00 0.00 ATOM 661 C GLY 90 82.187 61.929 85.001 1.00 0.00 ATOM 662 N GLU 91 81.651 61.256 83.982 1.00 0.00 ATOM 663 CA GLU 91 80.209 61.209 83.710 1.00 0.00 ATOM 664 CB GLU 91 79.874 62.012 82.451 1.00 0.00 ATOM 665 CG GLU 91 80.028 63.528 82.698 1.00 0.00 ATOM 666 CD GLU 91 79.648 64.399 81.515 1.00 0.00 ATOM 667 OE1 GLU 91 79.729 63.924 80.362 1.00 0.00 ATOM 668 OE2 GLU 91 79.289 65.574 81.747 1.00 0.00 ATOM 669 O GLU 91 80.094 59.030 82.671 1.00 0.00 ATOM 670 C GLU 91 79.775 59.738 83.629 1.00 0.00 ATOM 671 N LEU 92 79.060 59.294 84.661 1.00 0.00 ATOM 672 CA LEU 92 78.651 57.895 84.797 1.00 0.00 ATOM 673 CB LEU 92 77.977 57.675 86.161 1.00 0.00 ATOM 674 CG LEU 92 77.585 56.248 86.565 1.00 0.00 ATOM 675 CD1 LEU 92 78.787 55.316 86.538 1.00 0.00 ATOM 676 CD2 LEU 92 76.942 56.237 87.941 1.00 0.00 ATOM 677 O LEU 92 77.867 56.206 83.301 1.00 0.00 ATOM 678 C LEU 92 77.744 57.365 83.684 1.00 0.00 ATOM 679 N ASN 93 76.849 58.201 83.163 1.00 0.00 ATOM 680 CA ASN 93 75.912 57.760 82.121 1.00 0.00 ATOM 681 CB ASN 93 74.560 58.452 82.313 1.00 0.00 ATOM 682 CG ASN 93 73.871 58.023 83.587 1.00 0.00 ATOM 683 ND2 ASN 93 73.140 58.940 84.203 1.00 0.00 ATOM 684 OD1 ASN 93 73.980 56.873 84.007 1.00 0.00 ATOM 685 O ASN 93 75.582 57.832 79.756 1.00 0.00 ATOM 686 C ASN 93 76.392 57.891 80.671 1.00 0.00 ATOM 687 N GLN 94 77.693 58.066 80.459 1.00 0.00 ATOM 688 CA GLN 94 78.252 58.109 79.104 1.00 0.00 ATOM 689 CB GLN 94 78.999 59.403 78.836 1.00 0.00 ATOM 690 CG GLN 94 78.087 60.610 79.017 1.00 0.00 ATOM 691 CD GLN 94 78.426 61.780 78.118 1.00 0.00 ATOM 692 OE1 GLN 94 79.254 61.675 77.209 1.00 0.00 ATOM 693 NE2 GLN 94 77.759 62.901 78.351 1.00 0.00 ATOM 694 O GLN 94 79.402 56.243 79.980 1.00 0.00 ATOM 695 C GLN 94 79.141 56.896 78.974 1.00 0.00 ATOM 696 N ASP 95 79.603 56.579 77.765 1.00 0.00 ATOM 697 CA ASP 95 80.469 55.399 77.577 1.00 0.00 ATOM 698 CB ASP 95 80.987 55.280 76.148 1.00 0.00 ATOM 699 CG ASP 95 79.985 54.623 75.228 1.00 0.00 ATOM 700 OD1 ASP 95 78.771 54.909 75.340 1.00 0.00 ATOM 701 OD2 ASP 95 80.426 53.814 74.386 1.00 0.00 ATOM 702 O ASP 95 82.022 54.345 79.069 1.00 0.00 ATOM 703 C ASP 95 81.630 55.393 78.565 1.00 0.00 ATOM 704 N GLU 96 82.162 56.586 78.812 1.00 0.00 ATOM 705 CA GLU 96 83.197 56.860 79.809 1.00 0.00 ATOM 706 CB GLU 96 83.212 58.388 80.037 1.00 0.00 ATOM 707 CG GLU 96 84.363 58.956 80.847 1.00 0.00 ATOM 708 CD GLU 96 84.245 60.470 81.068 1.00 0.00 ATOM 709 OE1 GLU 96 83.226 60.923 81.640 1.00 0.00 ATOM 710 OE2 GLU 96 85.188 61.207 80.701 1.00 0.00 ATOM 711 O GLU 96 83.855 55.619 81.772 1.00 0.00 ATOM 712 C GLU 96 82.929 56.134 81.144 1.00 0.00 ATOM 713 N GLY 97 81.663 56.112 81.565 1.00 0.00 ATOM 714 CA GLY 97 81.236 55.470 82.811 1.00 0.00 ATOM 715 O GLY 97 81.828 53.535 84.081 1.00 0.00 ATOM 716 C GLY 97 81.617 54.009 82.964 1.00 0.00 ATOM 717 N LYS 98 81.697 53.287 81.849 1.00 0.00 ATOM 718 CA LYS 98 82.106 51.882 81.874 1.00 0.00 ATOM 719 CB LYS 98 81.942 51.239 80.493 1.00 0.00 ATOM 720 CG LYS 98 80.490 51.157 80.049 1.00 0.00 ATOM 721 CD LYS 98 80.309 50.397 78.751 1.00 0.00 ATOM 722 CE LYS 98 80.879 51.118 77.544 1.00 0.00 ATOM 723 NZ LYS 98 80.644 50.308 76.309 1.00 0.00 ATOM 724 O LYS 98 83.877 50.824 83.108 1.00 0.00 ATOM 725 C LYS 98 83.550 51.748 82.362 1.00 0.00 ATOM 726 N LEU 99 84.409 52.673 81.943 1.00 0.00 ATOM 727 CA LEU 99 85.801 52.676 82.393 1.00 0.00 ATOM 728 CB LEU 99 86.687 53.497 81.449 1.00 0.00 ATOM 729 CG LEU 99 86.866 52.921 80.037 1.00 0.00 ATOM 730 CD1 LEU 99 87.642 53.876 79.141 1.00 0.00 ATOM 731 CD2 LEU 99 87.557 51.560 80.079 1.00 0.00 ATOM 732 O LEU 99 86.843 52.755 84.546 1.00 0.00 ATOM 733 C LEU 99 85.926 53.166 83.843 1.00 0.00 ATOM 734 N TRP 100 85.018 54.039 84.280 1.00 0.00 ATOM 735 CA TRP 100 85.015 54.519 85.663 1.00 0.00 ATOM 736 CB TRP 100 83.898 55.543 85.883 1.00 0.00 ATOM 737 CG TRP 100 83.958 56.327 87.178 1.00 0.00 ATOM 738 CD1 TRP 100 84.706 56.052 88.292 1.00 0.00 ATOM 739 CD2 TRP 100 83.138 57.451 87.522 1.00 0.00 ATOM 740 CE2 TRP 100 83.485 57.840 88.832 1.00 0.00 ATOM 741 CE3 TRP 100 82.161 58.184 86.836 1.00 0.00 ATOM 742 NE1 TRP 100 84.452 56.979 89.274 1.00 0.00 ATOM 743 CZ2 TRP 100 82.893 58.921 89.470 1.00 0.00 ATOM 744 CZ3 TRP 100 81.574 59.262 87.471 1.00 0.00 ATOM 745 CH2 TRP 100 81.941 59.620 88.776 1.00 0.00 ATOM 746 O TRP 100 85.543 53.038 87.479 1.00 0.00 ATOM 747 C TRP 100 84.767 53.306 86.563 1.00 0.00 ATOM 748 N ILE 101 83.688 52.575 86.276 1.00 0.00 ATOM 749 CA ILE 101 83.310 51.388 87.041 1.00 0.00 ATOM 750 CB ILE 101 81.999 50.748 86.494 1.00 0.00 ATOM 751 CG1 ILE 101 80.808 51.678 86.752 1.00 0.00 ATOM 752 CG2 ILE 101 81.729 49.388 87.164 1.00 0.00 ATOM 753 CD1 ILE 101 79.510 51.232 86.121 1.00 0.00 ATOM 754 O ILE 101 84.754 49.780 88.085 1.00 0.00 ATOM 755 C ILE 101 84.450 50.371 87.048 1.00 0.00 ATOM 756 N SER 102 85.078 50.184 85.893 1.00 0.00 ATOM 757 CA SER 102 86.215 49.279 85.761 1.00 0.00 ATOM 758 CB SER 102 86.727 49.302 84.314 1.00 0.00 ATOM 759 OG SER 102 87.939 48.577 84.173 1.00 0.00 ATOM 760 O SER 102 87.917 48.781 87.382 1.00 0.00 ATOM 761 C SER 102 87.350 49.648 86.720 1.00 0.00 ATOM 762 N ALA 103 87.679 50.935 86.783 1.00 0.00 ATOM 763 CA ALA 103 88.749 51.420 87.654 1.00 0.00 ATOM 764 CB ALA 103 89.014 52.891 87.389 1.00 0.00 ATOM 765 O ALA 103 89.341 50.861 89.908 1.00 0.00 ATOM 766 C ALA 103 88.445 51.196 89.134 1.00 0.00 ATOM 767 N VAL 104 87.187 51.386 89.520 1.00 0.00 ATOM 768 CA VAL 104 86.761 51.178 90.905 1.00 0.00 ATOM 769 CB VAL 104 85.320 51.713 91.137 1.00 0.00 ATOM 770 CG1 VAL 104 84.827 51.427 92.544 1.00 0.00 ATOM 771 CG2 VAL 104 85.264 53.205 90.892 1.00 0.00 ATOM 772 O VAL 104 87.299 49.322 92.333 1.00 0.00 ATOM 773 C VAL 104 86.865 49.688 91.242 1.00 0.00 ATOM 774 N TYR 105 86.473 48.842 90.292 1.00 0.00 ATOM 775 CA TYR 105 86.542 47.397 90.452 1.00 0.00 ATOM 776 CB TYR 105 85.840 46.724 89.280 1.00 0.00 ATOM 777 CG TYR 105 85.790 45.218 89.349 1.00 0.00 ATOM 778 CD1 TYR 105 85.054 44.574 90.339 1.00 0.00 ATOM 779 CD2 TYR 105 86.434 44.439 88.395 1.00 0.00 ATOM 780 CE1 TYR 105 84.988 43.192 90.394 1.00 0.00 ATOM 781 CE2 TYR 105 86.376 43.067 88.447 1.00 0.00 ATOM 782 CZ TYR 105 85.651 42.445 89.445 1.00 0.00 ATOM 783 OH TYR 105 85.587 41.071 89.480 1.00 0.00 ATOM 784 O TYR 105 88.314 46.139 91.433 1.00 0.00 ATOM 785 C TYR 105 87.989 46.939 90.561 1.00 0.00 ATOM 786 N SER 106 88.854 47.456 89.691 1.00 0.00 ATOM 787 CA SER 106 90.283 47.141 89.745 1.00 0.00 ATOM 788 CB SER 106 91.048 47.867 88.628 1.00 0.00 ATOM 789 OG SER 106 90.694 47.402 87.336 1.00 0.00 ATOM 790 O SER 106 91.689 46.789 91.662 1.00 0.00 ATOM 791 C SER 106 90.880 47.529 91.100 1.00 0.00 ATOM 792 N ARG 107 90.479 48.690 91.616 1.00 0.00 ATOM 793 CA ARG 107 90.965 49.159 92.902 1.00 0.00 ATOM 794 CB ARG 107 90.454 50.567 93.200 1.00 0.00 ATOM 795 CG ARG 107 91.008 51.133 94.495 1.00 0.00 ATOM 796 CD ARG 107 90.830 52.627 94.592 1.00 0.00 ATOM 797 NE ARG 107 91.661 53.156 95.671 1.00 0.00 ATOM 798 CZ ARG 107 91.306 53.214 96.948 1.00 0.00 ATOM 799 NH1 ARG 107 90.130 52.767 97.365 1.00 0.00 ATOM 800 NH2 ARG 107 92.158 53.715 97.823 1.00 0.00 ATOM 801 O ARG 107 91.346 47.923 94.911 1.00 0.00 ATOM 802 C ARG 107 90.551 48.212 94.017 1.00 0.00 ATOM 803 N ALA 108 89.308 47.738 93.963 1.00 0.00 ATOM 804 CA ALA 108 88.809 46.796 94.960 1.00 0.00 ATOM 805 CB ALA 108 87.337 46.518 94.736 1.00 0.00 ATOM 806 O ALA 108 90.038 44.998 95.958 1.00 0.00 ATOM 807 C ALA 108 89.611 45.495 94.917 1.00 0.00 ATOM 808 N LEU 109 89.825 44.961 93.711 1.00 0.00 ATOM 809 CA LEU 109 90.606 43.734 93.535 1.00 0.00 ATOM 810 CB LEU 109 90.630 43.290 92.071 1.00 0.00 ATOM 811 CG LEU 109 89.337 42.847 91.384 1.00 0.00 ATOM 812 CD1 LEU 109 89.606 42.559 89.907 1.00 0.00 ATOM 813 CD2 LEU 109 88.723 41.636 92.074 1.00 0.00 ATOM 814 O LEU 109 92.615 42.991 94.593 1.00 0.00 ATOM 815 C LEU 109 92.044 43.907 94.008 1.00 0.00 ATOM 816 N ALA 110 92.624 45.074 93.741 1.00 0.00 ATOM 817 CA ALA 110 93.998 45.359 94.136 1.00 0.00 ATOM 818 CB ALA 110 94.479 46.651 93.493 1.00 0.00 ATOM 819 O ALA 110 95.032 44.816 96.224 1.00 0.00 ATOM 820 C ALA 110 94.136 45.433 95.652 1.00 0.00 ATOM 821 N LEU 111 93.250 46.190 96.294 1.00 0.00 ATOM 822 CA LEU 111 93.256 46.311 97.748 1.00 0.00 ATOM 823 CB LEU 111 92.143 47.249 98.217 1.00 0.00 ATOM 824 CG LEU 111 92.329 48.734 97.906 1.00 0.00 ATOM 825 CD1 LEU 111 91.023 49.491 98.086 1.00 0.00 ATOM 826 CD2 LEU 111 93.438 49.336 98.767 1.00 0.00 ATOM 827 O LEU 111 93.733 44.637 99.390 1.00 0.00 ATOM 828 C LEU 111 93.074 44.950 98.402 1.00 0.00 ATOM 829 N ASP 112 92.182 44.145 97.833 1.00 0.00 ATOM 830 CA ASP 112 91.905 42.810 98.346 1.00 0.00 ATOM 831 CB ASP 112 90.703 42.226 97.606 1.00 0.00 ATOM 832 CG ASP 112 90.198 40.927 98.210 1.00 0.00 ATOM 833 OD1 ASP 112 90.666 40.531 99.298 1.00 0.00 ATOM 834 OD2 ASP 112 89.306 40.308 97.586 1.00 0.00 ATOM 835 O ASP 112 93.531 41.203 99.111 1.00 0.00 ATOM 836 C ASP 112 93.144 41.921 98.183 1.00 0.00 ATOM 837 N GLY 113 93.773 41.996 97.012 1.00 0.00 ATOM 838 CA GLY 113 94.988 41.233 96.728 1.00 0.00 ATOM 839 O GLY 113 97.045 40.763 97.854 1.00 0.00 ATOM 840 C GLY 113 96.174 41.593 97.614 1.00 0.00 ATOM 841 N LEU 114 96.206 42.834 98.096 1.00 0.00 ATOM 842 CA LEU 114 97.262 43.307 98.990 1.00 0.00 ATOM 843 CB LEU 114 97.486 44.809 98.781 1.00 0.00 ATOM 844 CG LEU 114 98.028 45.220 97.408 1.00 0.00 ATOM 845 CD1 LEU 114 97.878 46.715 97.201 1.00 0.00 ATOM 846 CD2 LEU 114 99.478 44.786 97.236 1.00 0.00 ATOM 847 O LEU 114 97.725 43.416 101.341 1.00 0.00 ATOM 848 C LEU 114 96.953 43.032 100.466 1.00 0.00 ATOM 849 N GLY 115 95.830 42.372 100.747 1.00 0.00 ATOM 850 CA GLY 115 95.443 42.047 102.121 1.00 0.00 ATOM 851 O GLY 115 94.710 43.146 104.104 1.00 0.00 ATOM 852 C GLY 115 94.803 43.195 102.882 1.00 0.00 ATOM 853 N ARG 116 94.355 44.219 102.160 1.00 0.00 ATOM 854 CA ARG 116 93.710 45.389 102.750 1.00 0.00 ATOM 855 CB ARG 116 94.268 46.672 102.121 1.00 0.00 ATOM 856 CG ARG 116 95.730 46.944 102.487 1.00 0.00 ATOM 857 CD ARG 116 96.458 47.874 101.502 1.00 0.00 ATOM 858 NE ARG 116 95.913 49.233 101.397 1.00 0.00 ATOM 859 CZ ARG 116 96.422 50.192 100.616 1.00 0.00 ATOM 860 NH1 ARG 116 97.494 49.967 99.855 1.00 0.00 ATOM 861 NH2 ARG 116 95.856 51.393 100.586 1.00 0.00 ATOM 862 O ARG 116 91.585 46.072 101.836 1.00 0.00 ATOM 863 C ARG 116 92.203 45.264 102.536 1.00 0.00 ATOM 864 N GLY 117 91.626 44.232 103.147 1.00 0.00 ATOM 865 CA GLY 117 90.198 43.930 103.025 1.00 0.00 ATOM 866 O GLY 117 88.156 45.167 103.077 1.00 0.00 ATOM 867 C GLY 117 89.252 44.967 103.605 1.00 0.00 ATOM 868 N ALA 118 89.668 45.625 104.687 1.00 0.00 ATOM 869 CA ALA 118 88.859 46.669 105.316 1.00 0.00 ATOM 870 CB ALA 118 89.556 47.204 106.559 1.00 0.00 ATOM 871 O ALA 118 87.494 48.416 104.404 1.00 0.00 ATOM 872 C ALA 118 88.563 47.813 104.344 1.00 0.00 ATOM 873 N GLU 119 89.509 48.101 103.452 1.00 0.00 ATOM 874 CA GLU 119 89.353 49.157 102.458 1.00 0.00 ATOM 875 CB GLU 119 90.707 49.766 102.143 1.00 0.00 ATOM 876 CG GLU 119 91.457 50.256 103.363 1.00 0.00 ATOM 877 CD GLU 119 92.801 50.806 103.000 1.00 0.00 ATOM 878 OE1 GLU 119 92.870 51.606 102.046 1.00 0.00 ATOM 879 OE2 GLU 119 93.784 50.445 103.672 1.00 0.00 ATOM 880 O GLU 119 88.073 49.398 100.453 1.00 0.00 ATOM 881 C GLU 119 88.726 48.639 101.170 1.00 0.00 ATOM 882 N ALA 120 88.940 47.356 100.874 1.00 0.00 ATOM 883 CA ALA 120 88.403 46.729 99.668 1.00 0.00 ATOM 884 CB ALA 120 89.041 45.365 99.454 1.00 0.00 ATOM 885 O ALA 120 86.207 46.755 98.707 1.00 0.00 ATOM 886 C ALA 120 86.890 46.581 99.722 1.00 0.00 ATOM 887 N MET 121 86.371 46.246 100.901 1.00 0.00 ATOM 888 CA MET 121 84.926 46.059 101.074 1.00 0.00 ATOM 889 CB MET 121 84.564 45.709 102.512 1.00 0.00 ATOM 890 CG MET 121 84.306 44.242 102.758 1.00 0.00 ATOM 891 SD MET 121 83.881 44.064 104.650 1.00 0.00 ATOM 892 CE MET 121 82.903 42.532 104.699 1.00 0.00 ATOM 893 O MET 121 83.191 47.035 99.763 1.00 0.00 ATOM 894 C MET 121 84.066 47.230 100.605 1.00 0.00 ATOM 895 N PRO 122 84.278 48.433 101.170 1.00 0.00 ATOM 896 CA PRO 122 83.486 49.562 100.679 1.00 0.00 ATOM 897 CB PRO 122 83.990 50.751 101.507 1.00 0.00 ATOM 898 CG PRO 122 85.234 50.299 102.152 1.00 0.00 ATOM 899 CD PRO 122 85.161 48.824 102.280 1.00 0.00 ATOM 900 O PRO 122 82.673 50.315 98.571 1.00 0.00 ATOM 901 C PRO 122 83.623 49.823 99.173 1.00 0.00 ATOM 902 N GLU 123 84.773 49.502 98.572 1.00 0.00 ATOM 903 CA GLU 123 84.945 49.670 97.122 1.00 0.00 ATOM 904 CB GLU 123 86.412 49.586 96.707 1.00 0.00 ATOM 905 CG GLU 123 87.192 50.844 97.046 1.00 0.00 ATOM 906 CD GLU 123 86.907 52.015 96.098 1.00 0.00 ATOM 907 OE1 GLU 123 86.987 51.822 94.871 1.00 0.00 ATOM 908 OE2 GLU 123 86.653 53.139 96.575 1.00 0.00 ATOM 909 O GLU 123 83.548 49.023 95.307 1.00 0.00 ATOM 910 C GLU 123 84.104 48.669 96.343 1.00 0.00 ATOM 911 N PHE 124 84.018 47.426 96.827 1.00 0.00 ATOM 912 CA PHE 124 83.154 46.424 96.183 1.00 0.00 ATOM 913 CB PHE 124 83.316 45.026 96.787 1.00 0.00 ATOM 914 CG PHE 124 84.552 44.300 96.336 1.00 0.00 ATOM 915 CD1 PHE 124 84.693 43.907 95.015 1.00 0.00 ATOM 916 CD2 PHE 124 85.548 43.962 97.238 1.00 0.00 ATOM 917 CE1 PHE 124 85.821 43.218 94.589 1.00 0.00 ATOM 918 CE2 PHE 124 86.678 43.266 96.820 1.00 0.00 ATOM 919 CZ PHE 124 86.813 42.896 95.493 1.00 0.00 ATOM 920 O PHE 124 80.931 46.617 95.322 1.00 0.00 ATOM 921 C PHE 124 81.687 46.845 96.262 1.00 0.00 ATOM 922 N LYS 125 81.291 47.445 97.385 1.00 0.00 ATOM 923 CA LYS 125 79.931 47.958 97.545 1.00 0.00 ATOM 924 CB LYS 125 79.696 48.473 98.973 1.00 0.00 ATOM 925 CG LYS 125 78.235 48.798 99.310 1.00 0.00 ATOM 926 CD LYS 125 78.065 49.362 100.737 1.00 0.00 ATOM 927 O LYS 125 78.625 49.160 95.929 1.00 0.00 ATOM 928 C LYS 125 79.692 49.085 96.534 1.00 0.00 ATOM 929 N LYS 126 80.696 49.947 96.352 1.00 0.00 ATOM 930 CA LYS 126 80.617 51.079 95.422 1.00 0.00 ATOM 931 CB LYS 126 81.880 51.956 95.551 1.00 0.00 ATOM 932 CG LYS 126 81.922 53.239 94.707 1.00 0.00 ATOM 933 CD LYS 126 80.957 54.319 95.195 1.00 0.00 ATOM 934 CE LYS 126 81.034 55.566 94.304 1.00 0.00 ATOM 935 NZ LYS 126 80.106 56.650 94.735 1.00 0.00 ATOM 936 O LYS 126 79.726 51.250 93.207 1.00 0.00 ATOM 937 C LYS 126 80.432 50.604 93.980 1.00 0.00 ATOM 938 N VAL 127 81.067 49.486 93.622 1.00 0.00 ATOM 939 CA VAL 127 80.928 48.922 92.280 1.00 0.00 ATOM 940 CB VAL 127 81.836 47.680 92.052 1.00 0.00 ATOM 941 CG1 VAL 127 81.515 47.005 90.727 1.00 0.00 ATOM 942 CG2 VAL 127 83.304 48.069 92.072 1.00 0.00 ATOM 943 O VAL 127 78.911 48.902 90.986 1.00 0.00 ATOM 944 C VAL 127 79.467 48.556 92.028 1.00 0.00 ATOM 945 N VAL 128 78.848 47.880 92.991 1.00 0.00 ATOM 946 CA VAL 128 77.451 47.475 92.861 1.00 0.00 ATOM 947 CB VAL 128 77.001 46.544 94.012 1.00 0.00 ATOM 948 CG1 VAL 128 75.514 46.200 93.882 1.00 0.00 ATOM 949 CG2 VAL 128 77.839 45.265 94.030 1.00 0.00 ATOM 950 O VAL 128 75.640 48.750 91.962 1.00 0.00 ATOM 951 C VAL 128 76.542 48.701 92.790 1.00 0.00 ATOM 952 N GLU 129 76.791 49.688 93.649 1.00 0.00 ATOM 953 CA GLU 129 75.991 50.915 93.667 1.00 0.00 ATOM 954 CB GLU 129 76.406 51.822 94.834 1.00 0.00 ATOM 955 CG GLU 129 75.965 51.290 96.206 1.00 0.00 ATOM 956 CD GLU 129 76.455 52.140 97.378 1.00 0.00 ATOM 957 OE1 GLU 129 77.620 52.600 97.352 1.00 0.00 ATOM 958 OE2 GLU 129 75.682 52.331 98.344 1.00 0.00 ATOM 959 O GLU 129 75.035 52.156 91.845 1.00 0.00 ATOM 960 C GLU 129 76.053 51.669 92.334 1.00 0.00 ATOM 961 N MET 130 77.239 51.742 91.739 1.00 0.00 ATOM 962 CA MET 130 77.409 52.429 90.453 1.00 0.00 ATOM 963 CB MET 130 78.888 52.631 90.132 1.00 0.00 ATOM 964 CG MET 130 79.557 53.639 91.047 1.00 0.00 ATOM 965 SD MET 130 81.480 53.666 90.862 1.00 0.00 ATOM 966 CE MET 130 81.629 54.379 89.059 1.00 0.00 ATOM 967 O MET 130 76.168 52.350 88.411 1.00 0.00 ATOM 968 C MET 130 76.716 51.708 89.303 1.00 0.00 ATOM 969 N ILE 131 76.746 50.379 89.325 1.00 0.00 ATOM 970 CA ILE 131 76.074 49.579 88.302 1.00 0.00 ATOM 971 CB ILE 131 76.399 48.074 88.452 1.00 0.00 ATOM 972 CG1 ILE 131 77.861 47.823 88.088 1.00 0.00 ATOM 973 CG2 ILE 131 75.509 47.223 87.543 1.00 0.00 ATOM 974 CD1 ILE 131 78.369 46.456 88.471 1.00 0.00 ATOM 975 O ILE 131 73.909 49.943 87.317 1.00 0.00 ATOM 976 C ILE 131 74.562 49.828 88.360 1.00 0.00 ATOM 977 N GLU 132 74.010 49.905 89.570 1.00 0.00 ATOM 978 CA GLU 132 72.587 50.200 89.735 1.00 0.00 ATOM 979 CB GLU 132 72.171 50.175 91.199 1.00 0.00 ATOM 980 CG GLU 132 72.181 48.834 91.854 1.00 0.00 ATOM 981 CD GLU 132 71.858 48.954 93.318 1.00 0.00 ATOM 982 OE1 GLU 132 72.696 48.526 94.137 1.00 0.00 ATOM 983 OE2 GLU 132 70.797 49.526 93.654 1.00 0.00 ATOM 984 O GLU 132 71.335 51.778 88.440 1.00 0.00 ATOM 985 C GLU 132 72.270 51.591 89.214 1.00 0.00 ATOM 986 N GLU 133 73.068 52.556 89.664 1.00 0.00 ATOM 987 CA GLU 133 72.892 53.964 89.330 1.00 0.00 ATOM 988 CB GLU 133 73.957 54.785 90.069 1.00 0.00 ATOM 989 CG GLU 133 73.644 56.269 90.205 1.00 0.00 ATOM 990 CD GLU 133 74.709 57.034 90.991 1.00 0.00 ATOM 991 OE1 GLU 133 75.843 56.525 91.149 1.00 0.00 ATOM 992 OE2 GLU 133 74.405 58.156 91.451 1.00 0.00 ATOM 993 O GLU 133 72.231 55.045 87.302 1.00 0.00 ATOM 994 C GLU 133 72.986 54.239 87.833 1.00 0.00 ATOM 995 N ARG 134 73.906 53.561 87.159 1.00 0.00 ATOM 996 CA ARG 134 74.118 53.778 85.737 1.00 0.00 ATOM 997 CB ARG 134 75.412 53.087 85.281 1.00 0.00 ATOM 998 CG ARG 134 75.809 53.409 83.842 1.00 0.00 ATOM 999 CD ARG 134 77.195 52.890 83.474 1.00 0.00 ATOM 1000 NE ARG 134 77.630 53.448 82.191 1.00 0.00 ATOM 1001 CZ ARG 134 77.228 53.024 80.996 1.00 0.00 ATOM 1002 NH1 ARG 134 76.387 52.015 80.874 1.00 0.00 ATOM 1003 NH2 ARG 134 77.672 53.615 79.901 1.00 0.00 ATOM 1004 O ARG 134 72.527 52.165 84.928 1.00 0.00 ATOM 1005 C ARG 134 72.942 53.325 84.870 1.00 0.00 ATOM 1006 N LYS 135 72.390 54.266 84.104 1.00 0.00 ATOM 1007 CA LYS 135 71.362 53.962 83.116 1.00 0.00 ATOM 1008 CB LYS 135 70.440 55.159 82.855 1.00 0.00 ATOM 1009 O LYS 135 73.076 54.398 81.488 1.00 0.00 ATOM 1010 C LYS 135 72.198 53.618 81.885 1.00 0.00 ATOM 1011 N GLY 136 71.978 52.433 81.318 1.00 0.00 ATOM 1012 CA GLY 136 72.734 51.992 80.142 1.00 0.00 ATOM 1013 O GLY 136 73.824 50.335 81.485 1.00 0.00 ATOM 1014 C GLY 136 73.459 50.676 80.360 1.00 0.00 ATOM 1015 N GLU 137 73.673 49.950 79.266 1.00 0.00 ATOM 1016 CA GLU 137 74.335 48.648 79.292 1.00 0.00 ATOM 1017 CB GLU 137 74.435 48.072 77.867 1.00 0.00 ATOM 1018 O GLU 137 76.511 49.625 79.555 1.00 0.00 ATOM 1019 C GLU 137 75.736 48.736 79.903 1.00 0.00 ATOM 1020 N THR 138 76.050 47.810 80.811 1.00 0.00 ATOM 1021 CA THR 138 77.364 47.741 81.445 1.00 0.00 ATOM 1022 CB THR 138 77.284 48.132 82.928 1.00 0.00 ATOM 1023 CG2 THR 138 78.674 48.178 83.556 1.00 0.00 ATOM 1024 OG1 THR 138 76.669 49.421 83.044 1.00 0.00 ATOM 1025 O THR 138 77.701 45.486 82.165 1.00 0.00 ATOM 1026 C THR 138 77.898 46.317 81.287 1.00 0.00 ATOM 1027 N PRO 139 78.554 46.023 80.145 1.00 0.00 ATOM 1028 CA PRO 139 79.095 44.686 79.890 1.00 0.00 ATOM 1029 CB PRO 139 79.946 44.880 78.633 1.00 0.00 ATOM 1030 CG PRO 139 79.326 46.020 77.936 1.00 0.00 ATOM 1031 CD PRO 139 78.814 46.937 79.018 1.00 0.00 ATOM 1032 O PRO 139 80.756 44.952 81.587 1.00 0.00 ATOM 1033 C PRO 139 79.966 44.187 81.025 1.00 0.00 ATOM 1034 N GLY 140 79.803 42.912 81.363 1.00 0.00 ATOM 1035 CA GLY 140 80.564 42.283 82.439 1.00 0.00 ATOM 1036 O GLY 140 80.717 42.254 84.817 1.00 0.00 ATOM 1037 C GLY 140 80.053 42.588 83.836 1.00 0.00 ATOM 1038 N LYS 141 78.875 43.206 83.938 1.00 0.00 ATOM 1039 CA LYS 141 78.305 43.566 85.240 1.00 0.00 ATOM 1040 CB LYS 141 77.025 44.400 85.094 1.00 0.00 ATOM 1041 CG LYS 141 75.861 43.700 84.394 1.00 0.00 ATOM 1042 CD LYS 141 74.648 44.599 84.303 1.00 0.00 ATOM 1043 CE LYS 141 73.488 43.882 83.655 1.00 0.00 ATOM 1044 NZ LYS 141 72.245 44.687 83.757 1.00 0.00 ATOM 1045 O LYS 141 78.160 42.436 87.335 1.00 0.00 ATOM 1046 C LYS 141 78.016 42.360 86.121 1.00 0.00 ATOM 1047 N GLU 142 77.622 41.247 85.514 1.00 0.00 ATOM 1048 CA GLU 142 77.288 40.047 86.281 1.00 0.00 ATOM 1049 CB GLU 142 76.579 38.984 85.433 1.00 0.00 ATOM 1050 CG GLU 142 75.252 39.445 84.812 1.00 0.00 ATOM 1051 CD GLU 142 75.403 40.255 83.529 1.00 0.00 ATOM 1052 OE1 GLU 142 76.550 40.524 83.088 1.00 0.00 ATOM 1053 OE2 GLU 142 74.354 40.627 82.961 1.00 0.00 ATOM 1054 O GLU 142 78.530 39.113 88.105 1.00 0.00 ATOM 1055 C GLU 142 78.548 39.481 86.932 1.00 0.00 ATOM 1056 N ARG 143 79.639 39.436 86.171 1.00 0.00 ATOM 1057 CA ARG 143 80.921 38.958 86.677 1.00 0.00 ATOM 1058 CB ARG 143 81.989 39.064 85.587 1.00 0.00 ATOM 1059 CG ARG 143 83.414 38.710 86.020 1.00 0.00 ATOM 1060 CD ARG 143 84.406 38.925 84.884 1.00 0.00 ATOM 1061 NE ARG 143 84.082 38.104 83.722 1.00 0.00 ATOM 1062 CZ ARG 143 84.403 36.817 83.586 1.00 0.00 ATOM 1063 NH1 ARG 143 85.058 36.161 84.545 1.00 0.00 ATOM 1064 NH2 ARG 143 84.040 36.160 82.482 1.00 0.00 ATOM 1065 O ARG 143 81.745 39.215 88.897 1.00 0.00 ATOM 1066 C ARG 143 81.371 39.775 87.876 1.00 0.00 ATOM 1067 N MET 144 81.340 41.098 87.729 1.00 0.00 ATOM 1068 CA MET 144 81.764 42.017 88.782 1.00 0.00 ATOM 1069 CB MET 144 81.771 43.461 88.270 1.00 0.00 ATOM 1070 CG MET 144 82.878 43.761 87.278 1.00 0.00 ATOM 1071 SD MET 144 82.978 45.658 86.778 1.00 0.00 ATOM 1072 CE MET 144 81.425 45.763 85.592 1.00 0.00 ATOM 1073 O MET 144 81.432 41.876 91.153 1.00 0.00 ATOM 1074 C MET 144 80.905 41.937 90.043 1.00 0.00 ATOM 1075 N MET 145 79.589 41.941 89.871 1.00 0.00 ATOM 1076 CA MET 145 78.684 41.869 91.013 1.00 0.00 ATOM 1077 CB MET 145 77.234 42.015 90.586 1.00 0.00 ATOM 1078 CG MET 145 76.854 43.422 90.193 1.00 0.00 ATOM 1079 SD MET 145 74.972 43.517 89.708 1.00 0.00 ATOM 1080 CE MET 145 74.907 42.259 88.203 1.00 0.00 ATOM 1081 O MET 145 78.766 40.611 93.032 1.00 0.00 ATOM 1082 C MET 145 78.836 40.585 91.806 1.00 0.00 ATOM 1083 N GLU 146 79.039 39.464 91.117 1.00 0.00 ATOM 1084 CA GLU 146 79.212 38.187 91.808 1.00 0.00 ATOM 1085 CB GLU 146 79.150 37.011 90.836 1.00 0.00 ATOM 1086 CG GLU 146 79.518 35.685 91.478 1.00 0.00 ATOM 1087 CD GLU 146 79.080 34.506 90.661 1.00 0.00 ATOM 1088 OE1 GLU 146 77.863 34.374 90.440 1.00 0.00 ATOM 1089 OE2 GLU 146 79.946 33.694 90.275 1.00 0.00 ATOM 1090 O GLU 146 80.520 37.707 93.758 1.00 0.00 ATOM 1091 C GLU 146 80.508 38.170 92.619 1.00 0.00 ATOM 1092 N VAL 147 81.590 38.673 92.036 1.00 0.00 ATOM 1093 CA VAL 147 82.852 38.758 92.753 1.00 0.00 ATOM 1094 CB VAL 147 83.986 39.278 91.843 1.00 0.00 ATOM 1095 CG1 VAL 147 85.210 39.693 92.651 1.00 0.00 ATOM 1096 CG2 VAL 147 84.353 38.219 90.825 1.00 0.00 ATOM 1097 O VAL 147 83.078 39.322 95.074 1.00 0.00 ATOM 1098 C VAL 147 82.677 39.670 93.968 1.00 0.00 ATOM 1099 N ALA 148 82.057 40.824 93.751 1.00 0.00 ATOM 1100 CA ALA 148 81.828 41.796 94.810 1.00 0.00 ATOM 1101 CB ALA 148 81.071 42.996 94.259 1.00 0.00 ATOM 1102 O ALA 148 81.475 41.381 97.131 1.00 0.00 ATOM 1103 C ALA 148 81.067 41.214 95.988 1.00 0.00 ATOM 1104 N ILE 149 79.976 40.516 95.704 1.00 0.00 ATOM 1105 CA ILE 149 79.138 39.969 96.762 1.00 0.00 ATOM 1106 CB ILE 149 77.701 39.613 96.246 1.00 0.00 ATOM 1107 CG1 ILE 149 76.672 39.770 97.358 1.00 0.00 ATOM 1108 CG2 ILE 149 77.628 38.232 95.608 1.00 0.00 ATOM 1109 CD1 ILE 149 76.306 41.215 97.640 1.00 0.00 ATOM 1110 O ILE 149 79.674 38.657 98.693 1.00 0.00 ATOM 1111 C ILE 149 79.811 38.791 97.479 1.00 0.00 ATOM 1112 N ASP 150 80.543 37.957 96.743 1.00 0.00 ATOM 1113 CA ASP 150 81.238 36.824 97.356 1.00 0.00 ATOM 1114 CB ASP 150 81.781 35.856 96.299 1.00 0.00 ATOM 1115 CG ASP 150 80.673 35.119 95.546 1.00 0.00 ATOM 1116 OD1 ASP 150 79.499 35.193 95.969 1.00 0.00 ATOM 1117 OD2 ASP 150 80.982 34.459 94.526 1.00 0.00 ATOM 1118 O ASP 150 82.519 36.757 99.367 1.00 0.00 ATOM 1119 C ASP 150 82.361 37.293 98.272 1.00 0.00 ATOM 1120 N ARG 151 83.120 38.298 97.836 1.00 0.00 ATOM 1121 CA ARG 151 84.211 38.849 98.638 1.00 0.00 ATOM 1122 CB ARG 151 85.095 39.764 97.775 1.00 0.00 ATOM 1123 CG ARG 151 85.936 39.049 96.703 1.00 0.00 ATOM 1124 CD ARG 151 86.786 37.916 97.269 1.00 0.00 ATOM 1125 NE ARG 151 87.585 38.343 98.417 1.00 0.00 ATOM 1126 CZ ARG 151 88.259 37.538 99.234 1.00 0.00 ATOM 1127 NH1 ARG 151 88.250 36.221 99.080 1.00 0.00 ATOM 1128 NH2 ARG 151 88.940 38.064 100.239 1.00 0.00 ATOM 1129 O ARG 151 84.271 39.443 100.967 1.00 0.00 ATOM 1130 C ARG 151 83.707 39.600 99.880 1.00 0.00 ATOM 1131 N ILE 152 82.656 40.407 99.723 1.00 0.00 ATOM 1132 CA ILE 152 82.074 41.115 100.866 1.00 0.00 ATOM 1133 CB ILE 152 80.878 42.022 100.463 1.00 0.00 ATOM 1134 CG1 ILE 152 81.385 43.248 99.700 1.00 0.00 ATOM 1135 CG2 ILE 152 80.111 42.512 101.702 1.00 0.00 ATOM 1136 CD1 ILE 152 80.292 44.093 99.077 1.00 0.00 ATOM 1137 O ILE 152 81.842 40.370 103.122 1.00 0.00 ATOM 1138 C ILE 152 81.678 40.100 101.950 1.00 0.00 ATOM 1139 N ALA 153 81.202 38.918 101.565 1.00 0.00 ATOM 1140 CA ALA 153 80.825 37.885 102.544 1.00 0.00 ATOM 1141 CB ALA 153 79.907 36.860 101.898 1.00 0.00 ATOM 1142 O ALA 153 82.082 36.960 104.374 1.00 0.00 ATOM 1143 C ALA 153 82.042 37.184 103.164 1.00 0.00 ATOM 1144 N GLN 154 83.021 36.834 102.331 1.00 0.00 ATOM 1145 CA GLN 154 84.236 36.146 102.794 1.00 0.00 ATOM 1146 CB GLN 154 85.038 35.614 101.601 1.00 0.00 ATOM 1147 CG GLN 154 84.348 34.440 100.904 1.00 0.00 ATOM 1148 CD GLN 154 84.817 34.200 99.468 1.00 0.00 ATOM 1149 OE1 GLN 154 85.761 34.824 98.987 1.00 0.00 ATOM 1150 NE2 GLN 154 84.133 33.298 98.774 1.00 0.00 ATOM 1151 O GLN 154 85.659 36.535 104.673 1.00 0.00 ATOM 1152 C GLN 154 85.104 37.026 103.693 1.00 0.00 ATOM 1153 N LEU 155 85.222 38.311 103.357 1.00 0.00 ATOM 1154 CA LEU 155 85.970 39.270 104.182 1.00 0.00 ATOM 1155 CB LEU 155 86.175 40.602 103.449 1.00 0.00 ATOM 1156 CG LEU 155 87.133 40.573 102.251 1.00 0.00 ATOM 1157 CD1 LEU 155 87.006 41.836 101.388 1.00 0.00 ATOM 1158 CD2 LEU 155 88.576 40.365 102.712 1.00 0.00 ATOM 1159 O LEU 155 85.910 39.688 106.541 1.00 0.00 ATOM 1160 C LEU 155 85.257 39.512 105.514 1.00 0.00 ATOM 1161 N GLY 156 83.922 39.517 105.490 1.00 0.00 ATOM 1162 CA GLY 156 83.109 39.691 106.699 1.00 0.00 ATOM 1163 O GLY 156 82.874 38.636 108.832 1.00 0.00 ATOM 1164 C GLY 156 83.170 38.498 107.644 1.00 0.00 ATOM 1165 N ALA 157 83.540 37.329 107.107 1.00 0.00 ATOM 1166 CA ALA 157 83.695 36.091 107.879 1.00 0.00 ATOM 1167 CB ALA 157 82.891 34.963 107.240 1.00 0.00 ATOM 1168 O ALA 157 85.884 36.095 108.878 1.00 0.00 ATOM 1169 C ALA 157 85.173 35.709 107.948 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1018346281.pdb -s /var/tmp/to_scwrl_1018346281.seq -o /var/tmp/from_scwrl_1018346281.pdb > /var/tmp/scwrl_1018346281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018346281.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 163 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -44.391 # GDT_score(maxd=8.000,maxw=2.900)= -43.612 # GDT_score(maxd=8.000,maxw=3.200)= -41.410 # GDT_score(maxd=8.000,maxw=3.500)= -39.275 # GDT_score(maxd=10.000,maxw=3.800)= -43.222 # GDT_score(maxd=10.000,maxw=4.000)= -41.763 # GDT_score(maxd=10.000,maxw=4.200)= -40.402 # GDT_score(maxd=12.000,maxw=4.300)= -44.299 # GDT_score(maxd=12.000,maxw=4.500)= -42.910 # GDT_score(maxd=12.000,maxw=4.700)= -41.615 # GDT_score(maxd=14.000,maxw=5.200)= -41.968 # GDT_score(maxd=14.000,maxw=5.500)= -40.198 # command:# request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1223235428.pdb -s /var/tmp/to_scwrl_1223235428.seq -o /var/tmp/from_scwrl_1223235428.pdb > /var/tmp/scwrl_1223235428.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1223235428.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -35.897 # GDT_score(maxd=8.000,maxw=2.900)= -35.614 # GDT_score(maxd=8.000,maxw=3.200)= -34.108 # GDT_score(maxd=8.000,maxw=3.500)= -32.595 # GDT_score(maxd=10.000,maxw=3.800)= -35.075 # GDT_score(maxd=10.000,maxw=4.000)= -34.038 # GDT_score(maxd=10.000,maxw=4.200)= -33.025 # GDT_score(maxd=12.000,maxw=4.300)= -36.217 # GDT_score(maxd=12.000,maxw=4.500)= -35.163 # GDT_score(maxd=12.000,maxw=4.700)= -34.152 # GDT_score(maxd=14.000,maxw=5.200)= -34.865 # GDT_score(maxd=14.000,maxw=5.500)= -33.406 # command:# request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1024481994.pdb -s /var/tmp/to_scwrl_1024481994.seq -o /var/tmp/from_scwrl_1024481994.pdb > /var/tmp/scwrl_1024481994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1024481994.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 T0368 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.724 # GDT_score = -48.237 # GDT_score(maxd=8.000,maxw=2.900)= -49.168 # GDT_score(maxd=8.000,maxw=3.200)= -47.047 # GDT_score(maxd=8.000,maxw=3.500)= -44.993 # GDT_score(maxd=10.000,maxw=3.800)= -47.195 # GDT_score(maxd=10.000,maxw=4.000)= -45.934 # GDT_score(maxd=10.000,maxw=4.200)= -44.713 # GDT_score(maxd=12.000,maxw=4.300)= -47.292 # GDT_score(maxd=12.000,maxw=4.500)= -46.068 # GDT_score(maxd=12.000,maxw=4.700)= -44.826 # GDT_score(maxd=14.000,maxw=5.200)= -44.414 # GDT_score(maxd=14.000,maxw=5.500)= -42.697 # command:# request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_770275998.pdb -s /var/tmp/to_scwrl_770275998.seq -o /var/tmp/from_scwrl_770275998.pdb > /var/tmp/scwrl_770275998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_770275998.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 T0368 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.891 # GDT_score = -58.814 # GDT_score(maxd=8.000,maxw=2.900)= -58.796 # GDT_score(maxd=8.000,maxw=3.200)= -56.253 # GDT_score(maxd=8.000,maxw=3.500)= -53.521 # GDT_score(maxd=10.000,maxw=3.800)= -56.516 # GDT_score(maxd=10.000,maxw=4.000)= -54.730 # GDT_score(maxd=10.000,maxw=4.200)= -52.978 # GDT_score(maxd=12.000,maxw=4.300)= -56.518 # GDT_score(maxd=12.000,maxw=4.500)= -54.790 # GDT_score(maxd=12.000,maxw=4.700)= -53.120 # GDT_score(maxd=14.000,maxw=5.200)= -52.555 # GDT_score(maxd=14.000,maxw=5.500)= -50.325 # command:# request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1936390994.pdb -s /var/tmp/to_scwrl_1936390994.seq -o /var/tmp/from_scwrl_1936390994.pdb > /var/tmp/scwrl_1936390994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1936390994.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 T0368.try1-opt2.pdb looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -39.744 # GDT_score(maxd=8.000,maxw=2.900)= -35.921 # GDT_score(maxd=8.000,maxw=3.200)= -34.258 # GDT_score(maxd=8.000,maxw=3.500)= -32.709 # GDT_score(maxd=10.000,maxw=3.800)= -37.042 # GDT_score(maxd=10.000,maxw=4.000)= -35.934 # GDT_score(maxd=10.000,maxw=4.200)= -34.880 # GDT_score(maxd=12.000,maxw=4.300)= -38.916 # GDT_score(maxd=12.000,maxw=4.500)= -37.794 # GDT_score(maxd=12.000,maxw=4.700)= -36.731 # GDT_score(maxd=14.000,maxw=5.200)= -37.694 # GDT_score(maxd=14.000,maxw=5.500)= -36.207 # command:# Prefix for output files set to # command:EXPDTA T0368.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0368.try1-opt2.pdb ATOM 1 N MET A 1 80.235 64.863 63.856 1.00 0.00 ATOM 2 CA MET A 1 81.293 65.875 63.952 1.00 0.00 ATOM 3 CB MET A 1 82.296 65.324 65.071 1.00 0.00 ATOM 4 CG MET A 1 81.615 65.486 66.445 1.00 0.00 ATOM 5 SD MET A 1 82.622 64.788 67.765 1.00 0.00 ATOM 6 CE MET A 1 83.916 66.024 67.844 1.00 0.00 ATOM 7 O MET A 1 82.218 64.830 61.989 1.00 0.00 ATOM 8 C MET A 1 82.156 65.823 62.728 1.00 0.00 ATOM 9 N LYS A 2 82.906 66.880 62.467 1.00 0.00 ATOM 10 CA LYS A 2 83.865 66.820 61.360 1.00 0.00 ATOM 11 CB LYS A 2 84.598 68.140 61.242 1.00 0.00 ATOM 12 CG LYS A 2 83.785 69.413 61.223 1.00 0.00 ATOM 13 CD LYS A 2 84.654 70.655 61.395 1.00 0.00 ATOM 14 CE LYS A 2 85.478 70.761 62.669 1.00 0.00 ATOM 15 NZ LYS A 2 86.955 71.067 62.535 1.00 0.00 ATOM 16 O LYS A 2 85.059 65.313 62.806 1.00 0.00 ATOM 17 C LYS A 2 84.940 65.767 61.666 1.00 0.00 ATOM 18 N PRO A 3 85.598 65.289 60.634 1.00 0.00 ATOM 19 CA PRO A 3 86.644 64.286 60.856 1.00 0.00 ATOM 20 CB PRO A 3 87.382 64.293 59.523 1.00 0.00 ATOM 21 CG PRO A 3 86.252 64.435 58.564 1.00 0.00 ATOM 22 CD PRO A 3 85.420 65.540 59.192 1.00 0.00 ATOM 23 O PRO A 3 88.103 65.929 61.830 1.00 0.00 ATOM 24 C PRO A 3 87.691 64.767 61.858 1.00 0.00 ATOM 25 N LEU A 4 87.657 63.629 63.052 1.00 0.00 ATOM 26 CA LEU A 4 88.573 63.907 64.154 1.00 0.00 ATOM 27 CB LEU A 4 87.937 63.680 65.521 1.00 0.00 ATOM 28 CG LEU A 4 86.640 64.452 65.795 1.00 0.00 ATOM 29 CD1 LEU A 4 85.988 63.908 67.065 1.00 0.00 ATOM 30 CD2 LEU A 4 86.885 65.945 65.787 1.00 0.00 ATOM 31 O LEU A 4 89.706 61.790 64.354 1.00 0.00 ATOM 32 C LEU A 4 89.733 62.942 63.975 1.00 0.00 ATOM 33 N LYS A 5 90.794 63.419 63.298 1.00 0.00 ATOM 34 CA LYS A 5 91.844 62.527 62.823 1.00 0.00 ATOM 35 CB LYS A 5 92.895 63.391 62.060 1.00 0.00 ATOM 36 CG LYS A 5 94.073 62.600 61.505 1.00 0.00 ATOM 37 CD LYS A 5 95.181 63.527 60.999 1.00 0.00 ATOM 38 CE LYS A 5 94.662 64.524 59.978 1.00 0.00 ATOM 39 NZ LYS A 5 95.709 65.520 59.583 1.00 0.00 ATOM 40 O LYS A 5 92.840 60.595 63.854 1.00 0.00 ATOM 41 C LYS A 5 92.525 61.779 63.941 1.00 0.00 ATOM 42 N GLU A 6 92.736 62.477 65.051 1.00 0.00 ATOM 43 CA GLU A 6 93.433 61.819 66.134 1.00 0.00 ATOM 44 CB GLU A 6 93.954 62.980 67.075 1.00 0.00 ATOM 45 CG GLU A 6 95.113 63.737 66.376 1.00 0.00 ATOM 46 CD GLU A 6 95.460 65.061 67.047 1.00 0.00 ATOM 47 OE1 GLU A 6 94.561 65.650 67.692 1.00 0.00 ATOM 48 OE2 GLU A 6 96.613 65.513 66.896 1.00 0.00 ATOM 49 O GLU A 6 93.064 59.697 67.165 1.00 0.00 ATOM 50 C GLU A 6 92.562 60.738 66.754 1.00 0.00 ATOM 51 N VAL A 7 91.246 60.959 66.830 1.00 0.00 ATOM 52 CA VAL A 7 90.343 59.952 67.381 1.00 0.00 ATOM 53 CB VAL A 7 88.911 60.391 67.480 1.00 0.00 ATOM 54 CG1 VAL A 7 88.030 59.223 67.917 1.00 0.00 ATOM 55 CG2 VAL A 7 88.819 61.529 68.487 1.00 0.00 ATOM 56 O VAL A 7 90.468 57.570 67.005 1.00 0.00 ATOM 57 C VAL A 7 90.404 58.692 66.516 1.00 0.00 ATOM 58 N VAL A 8 90.403 58.876 65.201 1.00 0.00 ATOM 59 CA VAL A 8 90.483 57.754 64.261 1.00 0.00 ATOM 60 CB VAL A 8 90.483 58.337 62.790 1.00 0.00 ATOM 61 CG1 VAL A 8 90.799 57.236 61.783 1.00 0.00 ATOM 62 CG2 VAL A 8 89.125 58.960 62.488 1.00 0.00 ATOM 63 O VAL A 8 91.675 55.703 64.598 1.00 0.00 ATOM 64 C VAL A 8 91.739 56.927 64.502 1.00 0.00 ATOM 65 N GLY A 9 92.887 57.587 64.611 1.00 0.00 ATOM 66 CA GLY A 9 94.123 56.867 64.866 1.00 0.00 ATOM 67 O GLY A 9 94.603 55.041 66.324 1.00 0.00 ATOM 68 C GLY A 9 94.088 56.147 66.210 1.00 0.00 ATOM 69 N ALA A 10 93.475 56.761 67.223 1.00 0.00 ATOM 70 CA ALA A 10 93.379 56.149 68.552 1.00 0.00 ATOM 71 CB ALA A 10 92.756 57.114 69.534 1.00 0.00 ATOM 72 O ALA A 10 92.864 53.850 69.033 1.00 0.00 ATOM 73 C ALA A 10 92.542 54.862 68.433 1.00 0.00 ATOM 74 N TYR A 11 91.467 54.921 67.659 1.00 0.00 ATOM 75 CA TYR A 11 90.613 53.766 67.465 1.00 0.00 ATOM 76 CB TYR A 11 89.408 54.087 66.596 1.00 0.00 ATOM 77 CG TYR A 11 88.564 52.876 66.343 1.00 0.00 ATOM 78 CD1 TYR A 11 87.857 52.272 67.382 1.00 0.00 ATOM 79 CD2 TYR A 11 88.526 52.280 65.083 1.00 0.00 ATOM 80 CE1 TYR A 11 87.140 51.106 67.175 1.00 0.00 ATOM 81 CE2 TYR A 11 87.811 51.115 64.871 1.00 0.00 ATOM 82 CZ TYR A 11 87.123 50.532 65.922 1.00 0.00 ATOM 83 OH TYR A 11 86.443 49.358 65.730 1.00 0.00 ATOM 84 O TYR A 11 91.287 51.448 67.247 1.00 0.00 ATOM 85 C TYR A 11 91.428 52.612 66.856 1.00 0.00 ATOM 86 N LEU A 12 92.292 52.935 65.899 1.00 0.00 ATOM 87 CA LEU A 12 93.110 51.912 65.264 1.00 0.00 ATOM 88 CB LEU A 12 93.931 52.514 64.122 1.00 0.00 ATOM 89 CG LEU A 12 94.870 51.558 63.385 1.00 0.00 ATOM 90 CD1 LEU A 12 94.082 50.440 62.718 1.00 0.00 ATOM 91 CD2 LEU A 12 95.651 52.296 62.308 1.00 0.00 ATOM 92 O LEU A 12 94.140 50.029 66.341 1.00 0.00 ATOM 93 C LEU A 12 94.064 51.253 66.265 1.00 0.00 ATOM 94 N ALA A 13 94.810 52.047 66.994 1.00 0.00 ATOM 95 CA ALA A 13 95.740 51.494 67.977 1.00 0.00 ATOM 96 CB ALA A 13 96.602 52.564 68.630 1.00 0.00 ATOM 97 O ALA A 13 95.542 49.792 69.650 1.00 0.00 ATOM 98 C ALA A 13 95.002 50.741 69.080 1.00 0.00 ATOM 99 N LEU A 14 93.751 51.161 69.360 1.00 0.00 ATOM 100 CA LEU A 14 92.964 50.497 70.396 1.00 0.00 ATOM 101 CB LEU A 14 91.626 51.181 70.604 1.00 0.00 ATOM 102 CG LEU A 14 91.693 52.603 71.181 1.00 0.00 ATOM 103 CD1 LEU A 14 90.304 53.240 71.182 1.00 0.00 ATOM 104 CD2 LEU A 14 92.290 52.641 72.540 1.00 0.00 ATOM 105 O LEU A 14 92.883 48.126 70.906 1.00 0.00 ATOM 106 C LEU A 14 92.762 49.000 70.038 1.00 0.00 ATOM 107 N SER A 15 92.477 48.730 68.764 1.00 0.00 ATOM 108 CA SER A 15 92.208 47.381 68.284 1.00 0.00 ATOM 109 CB SER A 15 91.610 47.422 66.856 1.00 0.00 ATOM 110 OG SER A 15 90.304 48.023 66.916 1.00 0.00 ATOM 111 O SER A 15 93.359 45.345 68.724 1.00 0.00 ATOM 112 C SER A 15 93.453 46.519 68.357 1.00 0.00 ATOM 113 N ASP A 16 94.620 47.041 68.009 1.00 0.00 ATOM 114 CA ASP A 16 95.883 46.316 68.100 1.00 0.00 ATOM 115 CB ASP A 16 97.035 47.137 67.515 1.00 0.00 ATOM 116 CG ASP A 16 96.948 47.270 66.007 1.00 0.00 ATOM 117 OD1 ASP A 16 96.150 46.533 65.391 1.00 0.00 ATOM 118 OD2 ASP A 16 97.679 48.110 65.442 1.00 0.00 ATOM 119 O ASP A 16 96.577 44.918 69.919 1.00 0.00 ATOM 120 C ASP A 16 96.107 45.991 69.584 1.00 0.00 ATOM 121 N ALA A 17 95.871 46.954 70.473 1.00 0.00 ATOM 122 CA ALA A 17 96.075 46.732 71.900 1.00 0.00 ATOM 123 CB ALA A 17 95.777 47.999 72.687 1.00 0.00 ATOM 124 O ALA A 17 95.510 44.831 73.250 1.00 0.00 ATOM 125 C ALA A 17 95.135 45.635 72.401 1.00 0.00 ATOM 126 N GLN A 18 93.913 45.606 71.890 1.00 0.00 ATOM 127 CA GLN A 18 92.950 44.592 72.315 1.00 0.00 ATOM 128 CB GLN A 18 91.602 44.869 71.716 1.00 0.00 ATOM 129 CG GLN A 18 90.616 43.959 72.385 1.00 0.00 ATOM 130 CD GLN A 18 89.243 44.114 71.976 1.00 0.00 ATOM 131 OE1 GLN A 18 88.921 44.852 71.041 1.00 0.00 ATOM 132 NE2 GLN A 18 88.387 43.343 72.642 1.00 0.00 ATOM 133 O GLN A 18 93.362 42.267 72.780 1.00 0.00 ATOM 134 C GLN A 18 93.461 43.203 71.979 1.00 0.00 ATOM 135 N ARG A 19 94.009 43.071 70.782 1.00 0.00 ATOM 136 CA ARG A 19 94.529 41.800 70.321 1.00 0.00 ATOM 137 CB ARG A 19 94.936 41.890 68.849 1.00 0.00 ATOM 138 CG ARG A 19 93.764 42.000 67.888 1.00 0.00 ATOM 139 CD ARG A 19 94.240 42.132 66.449 1.00 0.00 ATOM 140 NE ARG A 19 93.125 42.266 65.514 1.00 0.00 ATOM 141 CZ ARG A 19 93.267 42.419 64.201 1.00 0.00 ATOM 142 NH1 ARG A 19 92.195 42.532 63.429 1.00 0.00 ATOM 143 NH2 ARG A 19 94.478 42.457 63.665 1.00 0.00 ATOM 144 O ARG A 19 95.884 40.256 71.581 1.00 0.00 ATOM 145 C ARG A 19 95.769 41.403 71.137 1.00 0.00 ATOM 146 N GLN A 20 96.672 42.350 71.378 1.00 0.00 ATOM 147 CA GLN A 20 97.871 42.067 72.165 1.00 0.00 ATOM 148 CB GLN A 20 98.799 43.231 72.266 1.00 0.00 ATOM 149 CG GLN A 20 99.493 43.570 70.969 1.00 0.00 ATOM 150 CD GLN A 20 100.468 42.616 70.371 1.00 0.00 ATOM 151 OE1 GLN A 20 100.911 42.707 69.202 1.00 0.00 ATOM 152 NE2 GLN A 20 100.910 41.654 71.156 1.00 0.00 ATOM 153 O GLN A 20 98.091 40.830 74.224 1.00 0.00 ATOM 154 C GLN A 20 97.464 41.681 73.589 1.00 0.00 ATOM 155 N LEU A 21 96.415 42.313 74.097 1.00 0.00 ATOM 156 CA LEU A 21 95.944 41.997 75.438 1.00 0.00 ATOM 157 CB LEU A 21 94.801 42.932 75.839 1.00 0.00 ATOM 158 CG LEU A 21 94.190 42.702 77.222 1.00 0.00 ATOM 159 CD1 LEU A 21 95.230 42.907 78.311 1.00 0.00 ATOM 160 CD2 LEU A 21 93.043 43.669 77.472 1.00 0.00 ATOM 161 O LEU A 21 95.744 39.838 76.468 1.00 0.00 ATOM 162 C LEU A 21 95.448 40.556 75.513 1.00 0.00 ATOM 163 N VAL A 22 94.704 40.161 74.505 1.00 0.00 ATOM 164 CA VAL A 22 94.189 38.797 74.477 1.00 0.00 ATOM 165 CB VAL A 22 93.390 38.493 73.196 1.00 0.00 ATOM 166 CG1 VAL A 22 93.047 37.012 73.123 1.00 0.00 ATOM 167 CG2 VAL A 22 92.094 39.288 73.175 1.00 0.00 ATOM 168 O VAL A 22 95.279 36.818 75.307 1.00 0.00 ATOM 169 C VAL A 22 95.345 37.806 74.565 1.00 0.00 ATOM 170 N ALA A 23 96.401 38.081 73.814 1.00 0.00 ATOM 171 CA ALA A 23 97.586 37.224 73.753 1.00 0.00 ATOM 172 CB ALA A 23 98.399 37.531 72.505 1.00 0.00 ATOM 173 O ALA A 23 99.407 36.555 75.160 1.00 0.00 ATOM 174 C ALA A 23 98.464 37.325 74.997 1.00 0.00 ATOM 175 N GLY A 24 98.169 38.290 75.878 1.00 0.00 ATOM 176 CA GLY A 24 98.946 38.454 77.093 1.00 0.00 ATOM 177 O GLY A 24 101.047 39.469 77.861 1.00 0.00 ATOM 178 C GLY A 24 100.175 39.306 76.939 1.00 0.00 ATOM 179 N GLU A 25 100.288 39.877 75.700 1.00 0.00 ATOM 180 CA GLU A 25 101.571 40.694 75.475 1.00 0.00 ATOM 181 CB GLU A 25 102.579 39.741 74.701 1.00 0.00 ATOM 182 CG GLU A 25 104.004 40.312 74.617 1.00 0.00 ATOM 183 CD GLU A 25 104.973 39.408 73.867 1.00 0.00 ATOM 184 OE1 GLU A 25 104.975 38.184 74.109 1.00 0.00 ATOM 185 OE2 GLU A 25 105.755 39.928 73.049 1.00 0.00 ATOM 186 O GLU A 25 100.874 43.003 75.299 1.00 0.00 ATOM 187 C GLU A 25 101.199 42.056 76.038 1.00 0.00 ATOM 188 N TYR A 26 101.229 42.140 77.364 1.00 0.00 ATOM 189 CA TYR A 26 100.809 43.331 78.079 1.00 0.00 ATOM 190 CB TYR A 26 100.775 43.070 79.585 1.00 0.00 ATOM 191 CG TYR A 26 99.606 42.221 80.033 1.00 0.00 ATOM 192 CD1 TYR A 26 99.786 40.888 80.378 1.00 0.00 ATOM 193 CD2 TYR A 26 98.327 42.756 80.110 1.00 0.00 ATOM 194 CE1 TYR A 26 98.726 40.104 80.788 1.00 0.00 ATOM 195 CE2 TYR A 26 97.254 41.989 80.520 1.00 0.00 ATOM 196 CZ TYR A 26 97.462 40.652 80.859 1.00 0.00 ATOM 197 OH TYR A 26 96.403 39.875 81.268 1.00 0.00 ATOM 198 O TYR A 26 101.146 45.663 77.743 1.00 0.00 ATOM 199 C TYR A 26 101.676 44.563 77.900 1.00 0.00 ATOM 200 N ASP A 27 102.994 44.411 77.930 1.00 0.00 ATOM 201 CA ASP A 27 103.835 45.590 77.759 1.00 0.00 ATOM 202 CB ASP A 27 105.314 45.210 77.843 1.00 0.00 ATOM 203 CG ASP A 27 105.747 44.863 79.255 1.00 0.00 ATOM 204 OD1 ASP A 27 104.977 45.142 80.197 1.00 0.00 ATOM 205 OD2 ASP A 27 106.856 44.312 79.418 1.00 0.00 ATOM 206 O ASP A 27 103.442 47.444 76.291 1.00 0.00 ATOM 207 C ASP A 27 103.562 46.223 76.401 1.00 0.00 ATOM 208 N GLU A 28 103.457 45.391 75.373 1.00 0.00 ATOM 209 CA GLU A 28 103.179 45.898 74.032 1.00 0.00 ATOM 210 CB GLU A 28 103.244 44.765 73.006 1.00 0.00 ATOM 211 CG GLU A 28 104.644 44.227 72.761 1.00 0.00 ATOM 212 CD GLU A 28 104.655 43.028 71.836 1.00 0.00 ATOM 213 OE1 GLU A 28 103.560 42.572 71.442 1.00 0.00 ATOM 214 OE2 GLU A 28 105.757 42.544 71.503 1.00 0.00 ATOM 215 O GLU A 28 101.599 47.580 73.371 1.00 0.00 ATOM 216 C GLU A 28 101.785 46.522 73.968 1.00 0.00 ATOM 217 N ALA A 29 100.804 45.878 74.588 1.00 0.00 ATOM 218 CA ALA A 29 99.449 46.424 74.567 1.00 0.00 ATOM 219 CB ALA A 29 98.497 45.506 75.319 1.00 0.00 ATOM 220 O ALA A 29 98.804 48.738 74.699 1.00 0.00 ATOM 221 C ALA A 29 99.415 47.807 75.222 1.00 0.00 ATOM 222 N ALA A 30 100.081 47.938 76.361 1.00 0.00 ATOM 223 CA ALA A 30 100.121 49.200 77.074 1.00 0.00 ATOM 224 CB ALA A 30 100.902 49.051 78.371 1.00 0.00 ATOM 225 O ALA A 30 100.305 51.401 76.137 1.00 0.00 ATOM 226 C ALA A 30 100.786 50.272 76.219 1.00 0.00 ATOM 227 N ALA A 31 101.881 49.913 75.593 1.00 0.00 ATOM 228 CA ALA A 31 102.571 50.865 74.729 1.00 0.00 ATOM 229 CB ALA A 31 103.832 50.246 74.146 1.00 0.00 ATOM 230 O ALA A 31 101.665 52.518 73.231 1.00 0.00 ATOM 231 C ALA A 31 101.669 51.340 73.589 1.00 0.00 ATOM 232 N ASN A 32 100.922 50.408 73.034 1.00 0.00 ATOM 233 CA ASN A 32 100.001 50.700 71.939 1.00 0.00 ATOM 234 CB ASN A 32 99.291 49.439 71.441 1.00 0.00 ATOM 235 CG ASN A 32 100.211 48.521 70.662 1.00 0.00 ATOM 236 ND2 ASN A 32 99.834 47.251 70.562 1.00 0.00 ATOM 237 OD1 ASN A 32 101.248 48.950 70.155 1.00 0.00 ATOM 238 O ASN A 32 98.674 52.695 71.756 1.00 0.00 ATOM 239 C ASN A 32 98.958 51.703 72.431 1.00 0.00 ATOM 240 N CYS A 33 98.391 51.461 73.609 1.00 0.00 ATOM 241 CA CYS A 33 97.401 52.385 74.152 1.00 0.00 ATOM 242 CB CYS A 33 96.851 51.861 75.480 1.00 0.00 ATOM 243 SG CYS A 33 95.817 50.385 75.329 1.00 0.00 ATOM 244 O CYS A 33 97.356 54.779 74.131 1.00 0.00 ATOM 245 C CYS A 33 97.985 53.775 74.422 1.00 0.00 ATOM 246 N ARG A 34 99.207 53.823 74.950 1.00 0.00 ATOM 247 CA ARG A 34 99.879 55.099 75.166 1.00 0.00 ATOM 248 CB ARG A 34 101.203 54.918 75.911 1.00 0.00 ATOM 249 CG ARG A 34 101.046 54.468 77.355 1.00 0.00 ATOM 250 CD ARG A 34 102.399 54.229 78.008 1.00 0.00 ATOM 251 NE ARG A 34 102.266 53.788 79.395 1.00 0.00 ATOM 252 CZ ARG A 34 103.281 53.386 80.150 1.00 0.00 ATOM 253 NH1 ARG A 34 103.065 53.002 81.402 1.00 0.00 ATOM 254 NH2 ARG A 34 104.511 53.368 79.655 1.00 0.00 ATOM 255 O ARG A 34 99.975 57.091 73.829 1.00 0.00 ATOM 256 C ARG A 34 100.110 55.867 73.868 1.00 0.00 ATOM 257 N ARG A 35 100.475 55.151 72.811 1.00 0.00 ATOM 258 CA ARG A 35 100.711 55.791 71.519 1.00 0.00 ATOM 259 CB ARG A 35 101.175 54.848 70.426 1.00 0.00 ATOM 260 CG ARG A 35 102.604 54.346 70.738 1.00 0.00 ATOM 261 CD ARG A 35 103.201 53.349 69.742 1.00 0.00 ATOM 262 NE ARG A 35 104.658 53.252 69.964 1.00 0.00 ATOM 263 CZ ARG A 35 105.415 52.281 69.503 1.00 0.00 ATOM 264 NH1 ARG A 35 104.874 51.330 68.804 1.00 0.00 ATOM 265 NH2 ARG A 35 106.726 52.254 69.741 1.00 0.00 ATOM 266 O ARG A 35 99.420 57.540 70.494 1.00 0.00 ATOM 267 C ARG A 35 99.409 56.453 71.070 1.00 0.00 ATOM 268 N ALA A 36 98.270 55.803 71.366 1.00 0.00 ATOM 269 CA ALA A 36 96.962 56.338 71.005 1.00 0.00 ATOM 270 CB ALA A 36 95.856 55.355 71.359 1.00 0.00 ATOM 271 O ALA A 36 96.198 58.619 71.179 1.00 0.00 ATOM 272 C ALA A 36 96.707 57.642 71.751 1.00 0.00 ATOM 273 N MET A 37 97.042 57.651 73.041 1.00 0.00 ATOM 274 CA MET A 37 96.890 58.839 73.862 1.00 0.00 ATOM 275 CB MET A 37 97.989 58.610 75.093 1.00 0.00 ATOM 276 CG MET A 37 97.828 59.404 76.390 1.00 0.00 ATOM 277 SD MET A 37 99.091 59.059 77.611 1.00 0.00 ATOM 278 CE MET A 37 98.597 57.379 78.151 1.00 0.00 ATOM 279 O MET A 37 97.247 61.149 73.172 1.00 0.00 ATOM 280 C MET A 37 97.729 59.991 73.269 1.00 0.00 ATOM 281 N GLU A 38 98.946 59.648 72.861 1.00 0.00 ATOM 282 CA GLU A 38 99.858 60.617 72.251 1.00 0.00 ATOM 283 CB GLU A 38 101.232 60.013 71.953 1.00 0.00 ATOM 284 CG GLU A 38 102.039 59.668 73.194 1.00 0.00 ATOM 285 CD GLU A 38 103.340 58.962 72.864 1.00 0.00 ATOM 286 OE1 GLU A 38 103.575 58.678 71.670 1.00 0.00 ATOM 287 OE2 GLU A 38 104.123 58.693 73.799 1.00 0.00 ATOM 288 O GLU A 38 99.315 62.381 70.712 1.00 0.00 ATOM 289 C GLU A 38 99.284 61.171 70.945 1.00 0.00 ATOM 290 N ILE A 39 98.750 60.295 70.097 1.00 0.00 ATOM 291 CA ILE A 39 98.150 60.739 68.834 1.00 0.00 ATOM 292 CB ILE A 39 97.490 59.569 68.082 1.00 0.00 ATOM 293 CG1 ILE A 39 98.552 58.589 67.581 1.00 0.00 ATOM 294 CG2 ILE A 39 96.704 60.081 66.883 1.00 0.00 ATOM 295 CD1 ILE A 39 97.988 57.283 67.069 1.00 0.00 ATOM 296 O ILE A 39 96.937 62.750 68.314 1.00 0.00 ATOM 297 C ILE A 39 97.074 61.798 69.085 1.00 0.00 ATOM 298 N SER A 40 96.331 61.653 70.177 1.00 0.00 ATOM 299 CA SER A 40 95.251 62.589 70.497 1.00 0.00 ATOM 300 CB SER A 40 94.057 61.846 71.099 1.00 0.00 ATOM 301 OG SER A 40 94.420 61.188 72.300 1.00 0.00 ATOM 302 O SER A 40 94.772 64.333 72.074 1.00 0.00 ATOM 303 C SER A 40 95.640 63.672 71.503 1.00 0.00 ATOM 304 N HIS A 41 96.941 63.891 71.694 1.00 0.00 ATOM 305 CA HIS A 41 97.395 64.863 72.684 1.00 0.00 ATOM 306 CB HIS A 41 98.923 64.956 72.681 1.00 0.00 ATOM 307 CG HIS A 41 99.478 65.807 73.780 1.00 0.00 ATOM 308 CD2 HIS A 41 100.182 67.081 73.853 1.00 0.00 ATOM 309 ND1 HIS A 41 99.392 65.457 75.110 1.00 0.00 ATOM 310 CE1 HIS A 41 99.977 66.412 75.854 1.00 0.00 ATOM 311 NE2 HIS A 41 100.452 67.389 75.107 1.00 0.00 ATOM 312 O HIS A 41 96.785 67.029 73.479 1.00 0.00 ATOM 313 C HIS A 41 96.904 66.292 72.498 1.00 0.00 ATOM 314 N THR A 42 96.598 66.682 71.265 1.00 0.00 ATOM 315 CA THR A 42 96.132 68.041 71.018 1.00 0.00 ATOM 316 CB THR A 42 96.431 68.486 69.574 1.00 0.00 ATOM 317 CG2 THR A 42 97.925 68.410 69.293 1.00 0.00 ATOM 318 OG1 THR A 42 95.741 67.631 68.655 1.00 0.00 ATOM 319 O THR A 42 94.127 69.331 71.247 1.00 0.00 ATOM 320 C THR A 42 94.629 68.204 71.218 1.00 0.00 ATOM 321 N MET A 43 93.912 67.092 71.374 1.00 0.00 ATOM 322 CA MET A 43 92.461 67.136 71.534 1.00 0.00 ATOM 323 CB MET A 43 91.811 65.928 70.856 1.00 0.00 ATOM 324 CG MET A 43 92.098 65.824 69.366 1.00 0.00 ATOM 325 SD MET A 43 91.332 67.151 68.417 1.00 0.00 ATOM 326 CE MET A 43 89.615 66.643 68.448 1.00 0.00 ATOM 327 O MET A 43 92.865 66.871 73.869 1.00 0.00 ATOM 328 C MET A 43 92.045 67.121 72.988 1.00 0.00 ATOM 329 N PRO A 44 90.770 67.380 73.249 1.00 0.00 ATOM 330 CA PRO A 44 90.301 67.418 74.624 1.00 0.00 ATOM 331 CB PRO A 44 88.805 67.708 74.495 1.00 0.00 ATOM 332 CG PRO A 44 88.665 68.376 73.169 1.00 0.00 ATOM 333 CD PRO A 44 89.669 67.718 72.264 1.00 0.00 ATOM 334 O PRO A 44 90.506 65.032 74.692 1.00 0.00 ATOM 335 C PRO A 44 90.558 66.084 75.314 1.00 0.00 ATOM 336 N PRO A 45 90.853 66.116 76.617 1.00 0.00 ATOM 337 CA PRO A 45 91.127 64.882 77.356 1.00 0.00 ATOM 338 CB PRO A 45 91.232 65.337 78.813 1.00 0.00 ATOM 339 CG PRO A 45 91.701 66.752 78.728 1.00 0.00 ATOM 340 CD PRO A 45 91.001 67.352 77.542 1.00 0.00 ATOM 341 O PRO A 45 90.378 62.600 77.281 1.00 0.00 ATOM 342 C PRO A 45 90.059 63.789 77.242 1.00 0.00 ATOM 343 N GLU A 46 88.806 64.195 77.072 1.00 0.00 ATOM 344 CA GLU A 46 87.712 63.241 76.934 1.00 0.00 ATOM 345 CB GLU A 46 86.390 64.082 76.867 1.00 0.00 ATOM 346 CG GLU A 46 86.069 64.836 78.160 1.00 0.00 ATOM 347 CD GLU A 46 84.615 65.283 78.256 1.00 0.00 ATOM 348 OE1 GLU A 46 83.720 64.443 78.052 1.00 0.00 ATOM 349 OE2 GLU A 46 84.380 66.474 78.575 1.00 0.00 ATOM 350 O GLU A 46 87.457 61.135 75.806 1.00 0.00 ATOM 351 C GLU A 46 87.936 62.275 75.770 1.00 0.00 ATOM 352 N GLU A 47 88.652 62.720 74.735 1.00 0.00 ATOM 353 CA GLU A 47 88.904 61.853 73.584 1.00 0.00 ATOM 354 CB GLU A 47 89.675 62.632 72.509 1.00 0.00 ATOM 355 CG GLU A 47 88.817 63.571 71.683 1.00 0.00 ATOM 356 CD GLU A 47 89.570 64.199 70.526 1.00 0.00 ATOM 357 OE1 GLU A 47 90.552 63.596 70.034 1.00 0.00 ATOM 358 OE2 GLU A 47 89.173 65.303 70.105 1.00 0.00 ATOM 359 O GLU A 47 89.627 59.606 73.203 1.00 0.00 ATOM 360 C GLU A 47 89.699 60.603 73.945 1.00 0.00 ATOM 361 N ALA A 48 90.430 60.654 75.063 1.00 0.00 ATOM 362 CA ALA A 48 91.315 59.540 75.484 1.00 0.00 ATOM 363 CB ALA A 48 92.631 60.369 76.222 1.00 0.00 ATOM 364 O ALA A 48 91.255 57.622 76.862 1.00 0.00 ATOM 365 C ALA A 48 90.600 58.465 76.300 1.00 0.00 ATOM 366 N PHE A 49 89.272 58.557 76.385 1.00 0.00 ATOM 367 CA PHE A 49 88.567 57.648 77.281 1.00 0.00 ATOM 368 CB PHE A 49 87.080 57.469 76.511 1.00 0.00 ATOM 369 CG PHE A 49 85.942 56.934 77.379 1.00 0.00 ATOM 370 CD1 PHE A 49 85.119 57.807 78.058 1.00 0.00 ATOM 371 CD2 PHE A 49 85.695 55.583 77.507 1.00 0.00 ATOM 372 CE1 PHE A 49 84.092 57.341 78.870 1.00 0.00 ATOM 373 CE2 PHE A 49 84.716 55.109 78.339 1.00 0.00 ATOM 374 CZ PHE A 49 83.899 55.970 79.041 1.00 0.00 ATOM 375 O PHE A 49 89.157 55.407 77.891 1.00 0.00 ATOM 376 C PHE A 49 88.855 56.181 76.978 1.00 0.00 ATOM 377 N ASP A 50 88.721 55.736 75.666 1.00 0.00 ATOM 378 CA ASP A 50 88.939 54.340 75.320 1.00 0.00 ATOM 379 CB ASP A 50 88.610 54.089 73.826 1.00 0.00 ATOM 380 CG ASP A 50 87.136 54.220 73.502 1.00 0.00 ATOM 381 OD1 ASP A 50 86.299 54.270 74.426 1.00 0.00 ATOM 382 OD2 ASP A 50 86.741 54.276 72.323 1.00 0.00 ATOM 383 O ASP A 50 90.638 52.801 76.152 1.00 0.00 ATOM 384 C ASP A 50 90.371 53.877 75.567 1.00 0.00 ATOM 385 N HIS A 51 91.356 54.634 75.136 1.00 0.00 ATOM 386 CA HIS A 51 92.728 54.224 75.361 1.00 0.00 ATOM 387 CB HIS A 51 93.761 55.095 74.859 1.00 0.00 ATOM 388 CG HIS A 51 94.044 56.341 75.641 1.00 0.00 ATOM 389 CD2 HIS A 51 93.553 57.599 75.526 1.00 0.00 ATOM 390 ND1 HIS A 51 94.983 56.385 76.648 1.00 0.00 ATOM 391 CE1 HIS A 51 95.068 57.615 77.114 1.00 0.00 ATOM 392 NE2 HIS A 51 94.211 58.374 76.453 1.00 0.00 ATOM 393 O HIS A 51 93.656 53.233 77.334 1.00 0.00 ATOM 394 C HIS A 51 92.961 54.127 76.868 1.00 0.00 ATOM 395 N ALA A 52 92.395 55.041 77.651 1.00 0.00 ATOM 396 CA ALA A 52 92.546 54.973 79.107 1.00 0.00 ATOM 397 CB ALA A 52 91.862 56.162 79.764 1.00 0.00 ATOM 398 O ALA A 52 92.490 53.007 80.498 1.00 0.00 ATOM 399 C ALA A 52 91.928 53.672 79.623 1.00 0.00 ATOM 400 N GLY A 53 90.765 53.302 79.078 1.00 0.00 ATOM 401 CA GLY A 53 90.137 52.051 79.494 1.00 0.00 ATOM 402 O GLY A 53 91.133 49.904 79.923 1.00 0.00 ATOM 403 C GLY A 53 91.071 50.882 79.168 1.00 0.00 ATOM 404 N PHE A 54 91.799 50.976 78.055 1.00 0.00 ATOM 405 CA PHE A 54 92.723 49.914 77.685 1.00 0.00 ATOM 406 CB PHE A 54 93.152 50.017 76.230 1.00 0.00 ATOM 407 CG PHE A 54 92.082 49.677 75.265 1.00 0.00 ATOM 408 CD1 PHE A 54 91.837 48.346 74.938 1.00 0.00 ATOM 409 CD2 PHE A 54 91.321 50.688 74.660 1.00 0.00 ATOM 410 CE1 PHE A 54 90.842 48.014 73.998 1.00 0.00 ATOM 411 CE2 PHE A 54 90.312 50.383 73.711 1.00 0.00 ATOM 412 CZ PHE A 54 90.070 49.041 73.375 1.00 0.00 ATOM 413 O PHE A 54 94.353 48.791 79.023 1.00 0.00 ATOM 414 C PHE A 54 93.893 49.871 78.667 1.00 0.00 ATOM 415 N ASP A 55 94.388 51.016 79.114 1.00 0.00 ATOM 416 CA ASP A 55 95.481 51.062 80.086 1.00 0.00 ATOM 417 CB ASP A 55 95.919 52.501 80.419 1.00 0.00 ATOM 418 CG ASP A 55 96.776 53.050 79.298 1.00 0.00 ATOM 419 OD1 ASP A 55 97.141 52.349 78.358 1.00 0.00 ATOM 420 OD2 ASP A 55 97.074 54.327 79.482 1.00 0.00 ATOM 421 O ASP A 55 95.675 49.542 81.987 1.00 0.00 ATOM 422 C ASP A 55 94.999 50.369 81.360 1.00 0.00 ATOM 423 N ALA A 56 93.787 50.725 81.740 1.00 0.00 ATOM 424 CA ALA A 56 93.219 50.151 82.925 1.00 0.00 ATOM 425 CB ALA A 56 91.804 50.508 83.148 1.00 0.00 ATOM 426 O ALA A 56 93.494 47.888 83.658 1.00 0.00 ATOM 427 C ALA A 56 93.066 48.648 82.784 1.00 0.00 ATOM 428 N PHE A 57 92.429 48.252 81.674 1.00 0.00 ATOM 429 CA PHE A 57 92.184 46.860 81.388 1.00 0.00 ATOM 430 CB PHE A 57 91.694 46.616 79.954 1.00 0.00 ATOM 431 CG PHE A 57 90.205 46.844 79.813 1.00 0.00 ATOM 432 CD1 PHE A 57 89.451 47.393 80.860 1.00 0.00 ATOM 433 CD2 PHE A 57 89.568 46.506 78.617 1.00 0.00 ATOM 434 CE1 PHE A 57 88.076 47.595 80.690 1.00 0.00 ATOM 435 CE2 PHE A 57 88.194 46.693 78.424 1.00 0.00 ATOM 436 CZ PHE A 57 87.460 47.241 79.479 1.00 0.00 ATOM 437 O PHE A 57 93.556 44.999 82.112 1.00 0.00 ATOM 438 C PHE A 57 93.503 46.037 81.461 1.00 0.00 ATOM 439 N CYS A 58 94.548 46.541 80.818 1.00 0.00 ATOM 440 CA CYS A 58 95.792 45.819 80.762 1.00 0.00 ATOM 441 CB CYS A 58 96.771 46.558 79.848 1.00 0.00 ATOM 442 SG CYS A 58 96.328 46.523 78.096 1.00 0.00 ATOM 443 O CYS A 58 96.980 44.714 82.498 1.00 0.00 ATOM 444 C CYS A 58 96.422 45.726 82.155 1.00 0.00 ATOM 445 N HIS A 59 96.372 46.781 82.970 1.00 0.00 ATOM 446 CA HIS A 59 96.991 46.746 84.263 1.00 0.00 ATOM 447 CB HIS A 59 96.876 48.061 84.943 1.00 0.00 ATOM 448 CG HIS A 59 97.899 49.037 84.459 1.00 0.00 ATOM 449 CD2 HIS A 59 98.837 48.956 83.451 1.00 0.00 ATOM 450 ND1 HIS A 59 98.058 50.282 84.997 1.00 0.00 ATOM 451 CE1 HIS A 59 99.033 50.908 84.367 1.00 0.00 ATOM 452 NE2 HIS A 59 99.541 50.123 83.414 1.00 0.00 ATOM 453 O HIS A 59 97.059 45.011 85.920 1.00 0.00 ATOM 454 C HIS A 59 96.367 45.699 85.164 1.00 0.00 ATOM 455 N ALA A 60 95.014 45.566 85.131 1.00 0.00 ATOM 456 CA ALA A 60 94.331 44.567 85.975 1.00 0.00 ATOM 457 CB ALA A 60 92.837 44.726 85.737 1.00 0.00 ATOM 458 O ALA A 60 95.070 42.302 86.328 1.00 0.00 ATOM 459 C ALA A 60 94.720 43.144 85.519 1.00 0.00 ATOM 460 N GLY A 61 94.630 42.851 84.242 1.00 0.00 ATOM 461 CA GLY A 61 95.051 41.516 83.826 1.00 0.00 ATOM 462 O GLY A 61 96.912 40.133 84.306 1.00 0.00 ATOM 463 C GLY A 61 96.493 41.251 84.053 1.00 0.00 ATOM 464 N LEU A 62 97.308 42.303 84.010 1.00 0.00 ATOM 465 CA LEU A 62 98.717 42.185 84.393 1.00 0.00 ATOM 466 CB LEU A 62 99.434 43.526 84.224 1.00 0.00 ATOM 467 CG LEU A 62 100.915 43.557 84.603 1.00 0.00 ATOM 468 CD1 LEU A 62 101.714 42.603 83.730 1.00 0.00 ATOM 469 CD2 LEU A 62 101.487 44.955 84.425 1.00 0.00 ATOM 470 O LEU A 62 99.602 40.926 86.210 1.00 0.00 ATOM 471 C LEU A 62 98.786 41.785 85.862 1.00 0.00 ATOM 472 N ALA A 63 98.005 42.449 86.712 1.00 0.00 ATOM 473 CA ALA A 63 97.960 42.085 88.126 1.00 0.00 ATOM 474 CB ALA A 63 96.975 42.983 88.859 1.00 0.00 ATOM 475 O ALA A 63 98.040 39.910 89.145 1.00 0.00 ATOM 476 C ALA A 63 97.508 40.634 88.303 1.00 0.00 ATOM 477 N GLU A 64 96.522 40.207 87.501 1.00 0.00 ATOM 478 CA GLU A 64 96.016 38.840 87.568 1.00 0.00 ATOM 479 CB GLU A 64 94.819 38.635 86.637 1.00 0.00 ATOM 480 CG GLU A 64 93.561 39.372 87.072 1.00 0.00 ATOM 481 CD GLU A 64 92.435 39.247 86.065 1.00 0.00 ATOM 482 OE1 GLU A 64 92.661 38.649 84.992 1.00 0.00 ATOM 483 OE2 GLU A 64 91.328 39.749 86.347 1.00 0.00 ATOM 484 O GLU A 64 97.278 36.811 87.817 1.00 0.00 ATOM 485 C GLU A 64 97.120 37.864 87.184 1.00 0.00 ATOM 486 N ALA A 65 97.873 38.212 86.143 1.00 0.00 ATOM 487 CA ALA A 65 98.970 37.360 85.679 1.00 0.00 ATOM 488 CB ALA A 65 99.602 37.944 84.425 1.00 0.00 ATOM 489 O ALA A 65 100.586 36.212 87.014 1.00 0.00 ATOM 490 C ALA A 65 100.027 37.272 86.778 1.00 0.00 ATOM 491 N LEU A 66 100.313 38.391 87.441 1.00 0.00 ATOM 492 CA LEU A 66 101.284 38.344 88.530 1.00 0.00 ATOM 493 CB LEU A 66 101.509 39.742 89.107 1.00 0.00 ATOM 494 CG LEU A 66 102.248 40.735 88.209 1.00 0.00 ATOM 495 CD1 LEU A 66 102.243 42.126 88.826 1.00 0.00 ATOM 496 CD2 LEU A 66 103.695 40.309 88.012 1.00 0.00 ATOM 497 O LEU A 66 101.615 36.672 90.215 1.00 0.00 ATOM 498 C LEU A 66 100.815 37.418 89.643 1.00 0.00 ATOM 499 N ALA A 67 99.518 37.450 89.961 1.00 0.00 ATOM 500 CA ALA A 67 99.003 36.595 91.034 1.00 0.00 ATOM 501 CB ALA A 67 97.518 36.861 91.235 1.00 0.00 ATOM 502 O ALA A 67 99.635 34.315 91.480 1.00 0.00 ATOM 503 C ALA A 67 99.199 35.130 90.650 1.00 0.00 ATOM 504 N GLY A 68 98.857 34.785 89.414 1.00 0.00 ATOM 505 CA GLY A 68 99.032 33.403 88.950 1.00 0.00 ATOM 506 O GLY A 68 100.867 31.846 89.213 1.00 0.00 ATOM 507 C GLY A 68 100.513 33.019 89.006 1.00 0.00 ATOM 508 N LEU A 69 101.379 34.013 88.801 1.00 0.00 ATOM 509 CA LEU A 69 102.830 33.793 88.830 1.00 0.00 ATOM 510 CB LEU A 69 103.560 34.892 88.055 1.00 0.00 ATOM 511 CG LEU A 69 103.274 34.967 86.554 1.00 0.00 ATOM 512 CD1 LEU A 69 103.978 36.162 85.932 1.00 0.00 ATOM 513 CD2 LEU A 69 103.762 33.709 85.850 1.00 0.00 ATOM 514 O LEU A 69 104.579 33.679 90.481 1.00 0.00 ATOM 515 C LEU A 69 103.375 33.808 90.259 1.00 0.00 ATOM 516 N ARG A 70 102.475 33.968 91.225 1.00 0.00 ATOM 517 CA ARG A 70 102.842 33.995 92.638 1.00 0.00 ATOM 518 CB ARG A 70 102.796 32.307 92.993 1.00 0.00 ATOM 519 CG ARG A 70 101.873 31.411 92.147 1.00 0.00 ATOM 520 CD ARG A 70 100.420 31.531 92.530 1.00 0.00 ATOM 521 NE ARG A 70 100.205 30.988 93.853 1.00 0.00 ATOM 522 CZ ARG A 70 99.361 29.999 94.131 1.00 0.00 ATOM 523 NH1 ARG A 70 98.625 29.442 93.178 1.00 0.00 ATOM 524 NH2 ARG A 70 99.283 29.550 95.366 1.00 0.00 ATOM 525 O ARG A 70 104.724 34.992 93.755 1.00 0.00 ATOM 526 C ARG A 70 103.809 35.128 92.950 1.00 0.00 ATOM 527 N SER A 71 103.580 36.253 92.285 1.00 0.00 ATOM 528 CA SER A 71 104.363 37.470 92.468 1.00 0.00 ATOM 529 CB SER A 71 104.951 37.940 91.136 1.00 0.00 ATOM 530 OG SER A 71 105.711 39.125 91.305 1.00 0.00 ATOM 531 O SER A 71 102.985 39.455 92.378 1.00 0.00 ATOM 532 C SER A 71 103.369 38.481 93.023 1.00 0.00 ATOM 533 N PHE A 72 102.946 38.217 94.250 1.00 0.00 ATOM 534 CA PHE A 72 101.950 39.019 94.923 1.00 0.00 ATOM 535 CB PHE A 72 101.529 38.357 96.238 1.00 0.00 ATOM 536 CG PHE A 72 100.624 37.173 96.056 1.00 0.00 ATOM 537 CD1 PHE A 72 101.115 35.883 96.174 1.00 0.00 ATOM 538 CD2 PHE A 72 99.282 37.346 95.770 1.00 0.00 ATOM 539 CE1 PHE A 72 100.282 34.792 96.008 1.00 0.00 ATOM 540 CE2 PHE A 72 98.449 36.255 95.602 1.00 0.00 ATOM 541 CZ PHE A 72 98.944 34.983 95.720 1.00 0.00 ATOM 542 O PHE A 72 101.503 41.348 95.124 1.00 0.00 ATOM 543 C PHE A 72 102.334 40.460 95.303 1.00 0.00 ATOM 544 N ASP A 73 103.590 40.599 95.695 1.00 0.00 ATOM 545 CA ASP A 73 104.026 41.999 95.994 1.00 0.00 ATOM 546 CB ASP A 73 105.480 41.997 96.475 1.00 0.00 ATOM 547 CG ASP A 73 105.635 41.387 97.853 1.00 0.00 ATOM 548 OD1 ASP A 73 104.609 41.194 98.538 1.00 0.00 ATOM 549 OD2 ASP A 73 106.785 41.104 98.251 1.00 0.00 ATOM 550 O ASP A 73 103.379 43.987 94.821 1.00 0.00 ATOM 551 C ASP A 73 103.882 42.864 94.749 1.00 0.00 ATOM 552 N GLU A 74 104.317 42.343 93.624 1.00 0.00 ATOM 553 CA GLU A 74 104.207 43.087 92.372 1.00 0.00 ATOM 554 CB GLU A 74 104.948 42.353 91.254 1.00 0.00 ATOM 555 CG GLU A 74 106.461 42.360 91.402 1.00 0.00 ATOM 556 CD GLU A 74 107.155 41.521 90.346 1.00 0.00 ATOM 557 OE1 GLU A 74 106.449 40.875 89.544 1.00 0.00 ATOM 558 OE2 GLU A 74 108.404 41.509 90.324 1.00 0.00 ATOM 559 O GLU A 74 102.358 44.297 91.457 1.00 0.00 ATOM 560 C GLU A 74 102.745 43.251 91.970 1.00 0.00 ATOM 561 N ALA A 75 101.951 42.223 92.211 1.00 0.00 ATOM 562 CA ALA A 75 100.531 42.309 91.879 1.00 0.00 ATOM 563 CB ALA A 75 99.812 41.027 92.189 1.00 0.00 ATOM 564 O ALA A 75 99.100 44.229 92.126 1.00 0.00 ATOM 565 C ALA A 75 99.881 43.446 92.667 1.00 0.00 ATOM 566 N LEU A 76 100.224 43.546 93.951 1.00 0.00 ATOM 567 CA LEU A 76 99.674 44.605 94.792 1.00 0.00 ATOM 568 CB LEU A 76 100.168 44.476 96.233 1.00 0.00 ATOM 569 CG LEU A 76 99.636 43.281 97.028 1.00 0.00 ATOM 570 CD1 LEU A 76 100.342 43.172 98.372 1.00 0.00 ATOM 571 CD2 LEU A 76 98.144 43.426 97.285 1.00 0.00 ATOM 572 O LEU A 76 99.204 46.866 94.135 1.00 0.00 ATOM 573 C LEU A 76 100.052 45.981 94.259 1.00 0.00 ATOM 574 N HIS A 77 101.335 46.167 93.945 1.00 0.00 ATOM 575 CA HIS A 77 101.837 47.429 93.415 1.00 0.00 ATOM 576 CB HIS A 77 103.354 47.401 93.220 1.00 0.00 ATOM 577 CG HIS A 77 104.127 47.375 94.503 1.00 0.00 ATOM 578 CD2 HIS A 77 103.820 47.615 95.905 1.00 0.00 ATOM 579 ND1 HIS A 77 105.469 47.068 94.556 1.00 0.00 ATOM 580 CE1 HIS A 77 105.881 47.125 95.835 1.00 0.00 ATOM 581 NE2 HIS A 77 104.896 47.453 96.650 1.00 0.00 ATOM 582 O HIS A 77 100.973 48.946 91.766 1.00 0.00 ATOM 583 C HIS A 77 101.174 47.767 92.085 1.00 0.00 ATOM 584 N SER A 78 100.864 46.741 91.298 1.00 0.00 ATOM 585 CA SER A 78 100.205 46.962 90.015 1.00 0.00 ATOM 586 CB SER A 78 100.136 45.657 89.219 1.00 0.00 ATOM 587 OG SER A 78 101.432 45.207 88.866 1.00 0.00 ATOM 588 O SER A 78 98.410 48.520 89.624 1.00 0.00 ATOM 589 C SER A 78 98.822 47.542 90.251 1.00 0.00 ATOM 590 N ALA A 79 98.092 46.927 91.158 1.00 0.00 ATOM 591 CA ALA A 79 96.755 47.445 91.484 1.00 0.00 ATOM 592 CB ALA A 79 96.089 46.627 92.580 1.00 0.00 ATOM 593 O ALA A 79 96.095 49.759 91.548 1.00 0.00 ATOM 594 C ALA A 79 96.882 48.899 91.954 1.00 0.00 ATOM 595 N ASP A 80 97.863 49.159 92.789 1.00 0.00 ATOM 596 CA ASP A 80 98.099 50.520 93.282 1.00 0.00 ATOM 597 CB ASP A 80 99.247 50.546 94.294 1.00 0.00 ATOM 598 CG ASP A 80 98.869 49.917 95.621 1.00 0.00 ATOM 599 OD1 ASP A 80 97.661 49.684 95.845 1.00 0.00 ATOM 600 OD2 ASP A 80 99.778 49.656 96.435 1.00 0.00 ATOM 601 O ASP A 80 97.932 52.580 92.066 1.00 0.00 ATOM 602 C ASP A 80 98.439 51.460 92.130 1.00 0.00 ATOM 603 N LYS A 81 99.293 51.007 91.230 1.00 0.00 ATOM 604 CA LYS A 81 99.671 51.837 90.094 1.00 0.00 ATOM 605 CB LYS A 81 100.696 51.107 89.224 1.00 0.00 ATOM 606 CG LYS A 81 102.062 50.949 89.873 1.00 0.00 ATOM 607 CD LYS A 81 103.029 50.220 88.955 1.00 0.00 ATOM 608 CE LYS A 81 104.386 50.039 89.615 1.00 0.00 ATOM 609 NZ LYS A 81 105.335 49.296 88.740 1.00 0.00 ATOM 610 O LYS A 81 98.269 53.277 88.761 1.00 0.00 ATOM 611 C LYS A 81 98.437 52.153 89.243 1.00 0.00 ATOM 612 N ALA A 82 97.551 51.170 89.081 1.00 0.00 ATOM 613 CA ALA A 82 96.354 51.384 88.293 1.00 0.00 ATOM 614 CB ALA A 82 95.579 50.084 88.144 1.00 0.00 ATOM 615 O ALA A 82 94.947 53.295 88.235 1.00 0.00 ATOM 616 C ALA A 82 95.401 52.399 88.915 1.00 0.00 ATOM 617 N LEU A 83 95.137 52.309 90.204 1.00 0.00 ATOM 618 CA LEU A 83 94.214 53.248 90.859 1.00 0.00 ATOM 619 CB LEU A 83 93.858 52.611 92.267 1.00 0.00 ATOM 620 CG LEU A 83 92.965 53.440 93.196 1.00 0.00 ATOM 621 CD1 LEU A 83 91.607 53.665 92.548 1.00 0.00 ATOM 622 CD2 LEU A 83 92.812 52.724 94.528 1.00 0.00 ATOM 623 O LEU A 83 93.958 55.660 90.810 1.00 0.00 ATOM 624 C LEU A 83 94.728 54.694 90.888 1.00 0.00 ATOM 625 N HIS A 84 96.042 54.824 91.009 1.00 0.00 ATOM 626 CA HIS A 84 96.711 56.098 90.884 1.00 0.00 ATOM 627 CB HIS A 84 98.204 55.953 91.189 1.00 0.00 ATOM 628 CG HIS A 84 98.961 57.243 91.123 1.00 0.00 ATOM 629 CD2 HIS A 84 99.960 57.816 90.234 1.00 0.00 ATOM 630 ND1 HIS A 84 98.800 58.248 92.051 1.00 0.00 ATOM 631 CE1 HIS A 84 99.608 59.273 91.731 1.00 0.00 ATOM 632 NE2 HIS A 84 100.307 59.022 90.642 1.00 0.00 ATOM 633 O HIS A 84 96.172 57.920 89.460 1.00 0.00 ATOM 634 C HIS A 84 96.431 56.721 89.537 1.00 0.00 ATOM 635 N TYR A 85 96.527 55.932 88.366 1.00 0.00 ATOM 636 CA TYR A 85 96.289 56.450 87.029 1.00 0.00 ATOM 637 CB TYR A 85 96.699 55.557 85.953 1.00 0.00 ATOM 638 CG TYR A 85 98.202 55.560 85.781 1.00 0.00 ATOM 639 CD1 TYR A 85 98.859 56.685 85.278 1.00 0.00 ATOM 640 CD2 TYR A 85 98.968 54.429 86.087 1.00 0.00 ATOM 641 CE1 TYR A 85 100.240 56.685 85.079 1.00 0.00 ATOM 642 CE2 TYR A 85 100.348 54.420 85.893 1.00 0.00 ATOM 643 CZ TYR A 85 100.977 55.553 85.384 1.00 0.00 ATOM 644 OH TYR A 85 102.329 55.552 85.152 1.00 0.00 ATOM 645 O TYR A 85 94.344 57.549 86.112 1.00 0.00 ATOM 646 C TYR A 85 94.778 56.701 86.870 1.00 0.00 ATOM 647 N PHE A 86 93.936 55.955 87.567 1.00 0.00 ATOM 648 CA PHE A 86 92.512 56.118 87.334 1.00 0.00 ATOM 649 CB PHE A 86 91.712 55.130 88.183 1.00 0.00 ATOM 650 CG PHE A 86 91.855 53.700 87.746 1.00 0.00 ATOM 651 CD1 PHE A 86 92.379 53.390 86.504 1.00 0.00 ATOM 652 CD2 PHE A 86 91.464 52.665 88.578 1.00 0.00 ATOM 653 CE1 PHE A 86 92.510 52.075 86.102 1.00 0.00 ATOM 654 CE2 PHE A 86 91.596 51.350 88.177 1.00 0.00 ATOM 655 CZ PHE A 86 92.116 51.051 86.944 1.00 0.00 ATOM 656 O PHE A 86 91.227 58.121 86.958 1.00 0.00 ATOM 657 C PHE A 86 92.043 57.515 87.682 1.00 0.00 ATOM 658 N ASN A 87 92.482 58.025 88.806 1.00 0.00 ATOM 659 CA ASN A 87 92.127 59.396 89.174 1.00 0.00 ATOM 660 CB ASN A 87 92.843 59.809 90.461 1.00 0.00 ATOM 661 CG ASN A 87 92.271 59.130 91.690 1.00 0.00 ATOM 662 ND2 ASN A 87 93.052 59.096 92.763 1.00 0.00 ATOM 663 OD1 ASN A 87 91.141 58.641 91.671 1.00 0.00 ATOM 664 O ASN A 87 91.695 61.310 87.785 1.00 0.00 ATOM 665 C ASN A 87 92.500 60.418 88.062 1.00 0.00 ATOM 666 N ARG A 88 93.670 60.259 87.533 1.00 0.00 ATOM 667 CA ARG A 88 94.146 61.181 86.464 1.00 0.00 ATOM 668 CB ARG A 88 95.584 60.851 86.060 1.00 0.00 ATOM 669 CG ARG A 88 96.619 61.185 87.122 1.00 0.00 ATOM 670 CD ARG A 88 98.012 60.761 86.687 1.00 0.00 ATOM 671 NE ARG A 88 99.020 61.071 87.700 1.00 0.00 ATOM 672 CZ ARG A 88 100.301 60.734 87.605 1.00 0.00 ATOM 673 NH1 ARG A 88 101.145 61.058 88.576 1.00 0.00 ATOM 674 NH2 ARG A 88 100.737 60.075 86.541 1.00 0.00 ATOM 675 O ARG A 88 92.841 62.046 84.580 1.00 0.00 ATOM 676 C ARG A 88 93.227 61.055 85.220 1.00 0.00 ATOM 677 N ARG A 89 92.897 59.825 84.843 1.00 0.00 ATOM 678 CA ARG A 89 92.005 59.607 83.681 1.00 0.00 ATOM 679 CB ARG A 89 91.846 58.127 83.376 1.00 0.00 ATOM 680 CG ARG A 89 93.101 57.562 82.764 1.00 0.00 ATOM 681 CD ARG A 89 93.143 56.046 82.748 1.00 0.00 ATOM 682 NE ARG A 89 94.524 55.608 82.600 1.00 0.00 ATOM 683 CZ ARG A 89 94.935 54.363 82.766 1.00 0.00 ATOM 684 NH1 ARG A 89 94.072 53.380 82.996 1.00 0.00 ATOM 685 NH2 ARG A 89 96.232 54.097 82.674 1.00 0.00 ATOM 686 O ARG A 89 90.076 60.842 82.954 1.00 0.00 ATOM 687 C ARG A 89 90.643 60.247 83.879 1.00 0.00 ATOM 688 N GLY A 90 90.119 60.113 85.076 1.00 0.00 ATOM 689 CA GLY A 90 88.828 60.688 85.404 1.00 0.00 ATOM 690 O GLY A 90 87.854 62.821 84.922 1.00 0.00 ATOM 691 C GLY A 90 88.825 62.202 85.360 1.00 0.00 ATOM 692 N GLU A 91 89.923 62.799 85.839 1.00 0.00 ATOM 693 CA GLU A 91 90.042 64.252 85.821 1.00 0.00 ATOM 694 CB GLU A 91 91.401 64.696 86.365 1.00 0.00 ATOM 695 CG GLU A 91 91.568 64.496 87.863 1.00 0.00 ATOM 696 CD GLU A 91 92.964 64.832 88.344 1.00 0.00 ATOM 697 OE1 GLU A 91 93.825 65.149 87.496 1.00 0.00 ATOM 698 OE2 GLU A 91 93.201 64.775 89.569 1.00 0.00 ATOM 699 O GLU A 91 89.124 65.659 84.105 1.00 0.00 ATOM 700 C GLU A 91 89.859 64.711 84.375 1.00 0.00 ATOM 701 N LEU A 92 90.471 64.030 83.430 1.00 0.00 ATOM 702 CA LEU A 92 90.384 64.358 82.007 1.00 0.00 ATOM 703 CB LEU A 92 91.506 63.674 81.225 1.00 0.00 ATOM 704 CG LEU A 92 92.934 64.078 81.596 1.00 0.00 ATOM 705 CD1 LEU A 92 93.946 63.251 80.818 1.00 0.00 ATOM 706 CD2 LEU A 92 93.179 65.545 81.281 1.00 0.00 ATOM 707 O LEU A 92 88.467 64.761 80.597 1.00 0.00 ATOM 708 C LEU A 92 89.037 63.994 81.384 1.00 0.00 ATOM 709 N ASN A 93 88.511 62.839 81.783 1.00 0.00 ATOM 710 CA ASN A 93 87.288 62.291 81.251 1.00 0.00 ATOM 711 CB ASN A 93 87.738 62.065 79.624 1.00 0.00 ATOM 712 CG ASN A 93 88.487 60.738 79.543 1.00 0.00 ATOM 713 ND2 ASN A 93 89.675 60.767 78.932 1.00 0.00 ATOM 714 OD1 ASN A 93 88.002 59.704 79.996 1.00 0.00 ATOM 715 O ASN A 93 86.312 60.558 82.590 1.00 0.00 ATOM 716 C ASN A 93 86.383 61.756 82.363 1.00 0.00 ATOM 717 N GLN A 94 85.654 62.606 83.055 1.00 0.00 ATOM 718 CA GLN A 94 84.811 62.147 84.157 1.00 0.00 ATOM 719 CB GLN A 94 84.117 63.319 84.865 1.00 0.00 ATOM 720 CG GLN A 94 83.103 62.881 85.959 1.00 0.00 ATOM 721 CD GLN A 94 82.305 64.018 86.600 1.00 0.00 ATOM 722 OE1 GLN A 94 81.261 63.770 87.216 1.00 0.00 ATOM 723 NE2 GLN A 94 82.796 65.244 86.483 1.00 0.00 ATOM 724 O GLN A 94 83.118 60.492 84.533 1.00 0.00 ATOM 725 C GLN A 94 83.671 61.234 83.722 1.00 0.00 ATOM 726 N ASP A 95 83.299 61.272 82.426 1.00 0.00 ATOM 727 CA ASP A 95 82.236 60.423 81.904 1.00 0.00 ATOM 728 CB ASP A 95 81.734 60.896 80.540 1.00 0.00 ATOM 729 CG ASP A 95 80.812 62.086 80.606 1.00 0.00 ATOM 730 OD1 ASP A 95 80.107 62.284 81.620 1.00 0.00 ATOM 731 OD2 ASP A 95 80.719 62.865 79.627 1.00 0.00 ATOM 732 O ASP A 95 81.748 58.091 81.642 1.00 0.00 ATOM 733 C ASP A 95 82.602 58.940 81.875 1.00 0.00 ATOM 734 N GLU A 96 83.968 58.556 82.136 1.00 0.00 ATOM 735 CA GLU A 96 84.383 57.155 82.142 1.00 0.00 ATOM 736 CB GLU A 96 85.909 57.070 82.085 1.00 0.00 ATOM 737 CG GLU A 96 86.440 55.704 81.679 1.00 0.00 ATOM 738 CD GLU A 96 87.953 55.629 81.727 1.00 0.00 ATOM 739 OE1 GLU A 96 88.592 56.671 81.988 1.00 0.00 ATOM 740 OE2 GLU A 96 88.502 54.530 81.505 1.00 0.00 ATOM 741 O GLU A 96 84.364 56.365 84.416 1.00 0.00 ATOM 742 C GLU A 96 83.805 56.369 83.317 1.00 0.00 ATOM 743 N GLY A 97 82.680 55.696 83.062 1.00 0.00 ATOM 744 CA GLY A 97 82.024 54.921 84.097 1.00 0.00 ATOM 745 O GLY A 97 82.987 53.470 85.746 1.00 0.00 ATOM 746 C GLY A 97 82.867 53.748 84.537 1.00 0.00 ATOM 747 N LYS A 98 83.494 53.083 83.599 1.00 0.00 ATOM 748 CA LYS A 98 84.370 51.957 83.930 1.00 0.00 ATOM 749 CB LYS A 98 85.286 51.595 82.814 1.00 0.00 ATOM 750 CG LYS A 98 84.581 50.964 81.629 1.00 0.00 ATOM 751 CD LYS A 98 85.561 50.727 80.493 1.00 0.00 ATOM 752 CE LYS A 98 84.885 50.068 79.303 1.00 0.00 ATOM 753 NZ LYS A 98 85.789 49.973 78.118 1.00 0.00 ATOM 754 O LYS A 98 85.939 51.599 85.638 1.00 0.00 ATOM 755 C LYS A 98 85.539 52.356 84.791 1.00 0.00 ATOM 756 N LEU A 99 86.140 53.511 84.522 1.00 0.00 ATOM 757 CA LEU A 99 87.194 54.046 85.364 1.00 0.00 ATOM 758 CB LEU A 99 87.700 55.379 84.806 1.00 0.00 ATOM 759 CG LEU A 99 88.830 56.054 85.587 1.00 0.00 ATOM 760 CD1 LEU A 99 90.066 55.168 85.618 1.00 0.00 ATOM 761 CD2 LEU A 99 89.209 57.379 84.944 1.00 0.00 ATOM 762 O LEU A 99 87.500 53.980 87.730 1.00 0.00 ATOM 763 C LEU A 99 86.750 54.299 86.789 1.00 0.00 ATOM 764 N TRP A 100 85.584 54.866 87.000 1.00 0.00 ATOM 765 CA TRP A 100 85.077 55.025 88.376 1.00 0.00 ATOM 766 CB TRP A 100 83.707 55.707 88.370 1.00 0.00 ATOM 767 CG TRP A 100 83.124 55.894 89.737 1.00 0.00 ATOM 768 CD1 TRP A 100 82.074 55.211 90.281 1.00 0.00 ATOM 769 CD2 TRP A 100 83.557 56.827 90.734 1.00 0.00 ATOM 770 CE2 TRP A 100 82.724 56.652 91.858 1.00 0.00 ATOM 771 CE3 TRP A 100 84.566 57.792 90.788 1.00 0.00 ATOM 772 NE1 TRP A 100 81.826 55.660 91.556 1.00 0.00 ATOM 773 CZ2 TRP A 100 82.870 57.408 93.021 1.00 0.00 ATOM 774 CZ3 TRP A 100 84.707 58.539 91.944 1.00 0.00 ATOM 775 CH2 TRP A 100 83.867 58.345 93.044 1.00 0.00 ATOM 776 O TRP A 100 85.430 53.486 90.196 1.00 0.00 ATOM 777 C TRP A 100 84.984 53.663 89.067 1.00 0.00 ATOM 778 N ILE A 101 84.408 52.676 88.371 1.00 0.00 ATOM 779 CA ILE A 101 84.241 51.339 88.914 1.00 0.00 ATOM 780 CB ILE A 101 83.415 50.457 87.960 1.00 0.00 ATOM 781 CG1 ILE A 101 81.980 50.979 87.859 1.00 0.00 ATOM 782 CG2 ILE A 101 83.371 49.022 88.463 1.00 0.00 ATOM 783 CD1 ILE A 101 81.172 50.340 86.752 1.00 0.00 ATOM 784 O ILE A 101 85.749 50.012 90.169 1.00 0.00 ATOM 785 C ILE A 101 85.591 50.670 89.147 1.00 0.00 ATOM 786 N SER A 102 86.545 50.824 88.225 1.00 0.00 ATOM 787 CA SER A 102 87.909 50.279 88.336 1.00 0.00 ATOM 788 CB SER A 102 88.772 50.630 87.183 1.00 0.00 ATOM 789 OG SER A 102 88.253 50.020 86.011 1.00 0.00 ATOM 790 O SER A 102 89.055 49.951 90.431 1.00 0.00 ATOM 791 C SER A 102 88.603 50.750 89.613 1.00 0.00 ATOM 792 N ALA A 103 88.590 52.071 89.809 1.00 0.00 ATOM 793 CA ALA A 103 89.205 52.689 90.965 1.00 0.00 ATOM 794 CB ALA A 103 89.170 54.204 90.838 1.00 0.00 ATOM 795 O ALA A 103 89.156 52.023 93.264 1.00 0.00 ATOM 796 C ALA A 103 88.499 52.308 92.264 1.00 0.00 ATOM 797 N VAL A 104 87.157 52.299 92.271 1.00 0.00 ATOM 798 CA VAL A 104 86.428 51.925 93.479 1.00 0.00 ATOM 799 CB VAL A 104 84.929 52.195 93.353 1.00 0.00 ATOM 800 CG1 VAL A 104 84.228 51.807 94.649 1.00 0.00 ATOM 801 CG2 VAL A 104 84.694 53.672 93.038 1.00 0.00 ATOM 802 O VAL A 104 86.963 50.100 94.954 1.00 0.00 ATOM 803 C VAL A 104 86.729 50.465 93.798 1.00 0.00 ATOM 804 N TYR A 105 86.737 49.625 92.756 1.00 0.00 ATOM 805 CA TYR A 105 87.050 48.211 92.906 1.00 0.00 ATOM 806 CB TYR A 105 87.028 47.518 91.542 1.00 0.00 ATOM 807 CG TYR A 105 87.374 46.047 91.597 1.00 0.00 ATOM 808 CD1 TYR A 105 86.427 45.108 91.987 1.00 0.00 ATOM 809 CD2 TYR A 105 88.645 45.602 91.259 1.00 0.00 ATOM 810 CE1 TYR A 105 86.734 43.761 92.040 1.00 0.00 ATOM 811 CE2 TYR A 105 88.970 44.259 91.307 1.00 0.00 ATOM 812 CZ TYR A 105 88.001 43.339 91.701 1.00 0.00 ATOM 813 OH TYR A 105 88.308 41.998 91.753 1.00 0.00 ATOM 814 O TYR A 105 88.641 47.321 94.471 1.00 0.00 ATOM 815 C TYR A 105 88.437 48.083 93.523 1.00 0.00 ATOM 816 N SER A 106 89.391 48.848 93.003 1.00 0.00 ATOM 817 CA SER A 106 90.751 48.811 93.533 1.00 0.00 ATOM 818 CB SER A 106 91.664 49.743 92.734 1.00 0.00 ATOM 819 OG SER A 106 91.818 49.286 91.401 1.00 0.00 ATOM 820 O SER A 106 91.594 48.720 95.770 1.00 0.00 ATOM 821 C SER A 106 90.798 49.241 94.989 1.00 0.00 ATOM 822 N ARG A 107 89.968 50.211 95.353 1.00 0.00 ATOM 823 CA ARG A 107 89.945 50.687 96.727 1.00 0.00 ATOM 824 CB ARG A 107 88.984 51.867 96.870 1.00 0.00 ATOM 825 CG ARG A 107 89.471 53.147 96.209 1.00 0.00 ATOM 826 CD ARG A 107 88.438 54.257 96.325 1.00 0.00 ATOM 827 NE ARG A 107 88.880 55.486 95.670 1.00 0.00 ATOM 828 CZ ARG A 107 88.138 56.583 95.563 1.00 0.00 ATOM 829 NH1 ARG A 107 88.623 57.654 94.950 1.00 0.00 ATOM 830 NH2 ARG A 107 86.912 56.606 96.067 1.00 0.00 ATOM 831 O ARG A 107 90.053 49.374 98.725 1.00 0.00 ATOM 832 C ARG A 107 89.511 49.538 97.632 1.00 0.00 ATOM 833 N ALA A 108 88.545 48.765 97.168 1.00 0.00 ATOM 834 CA ALA A 108 88.046 47.607 97.901 1.00 0.00 ATOM 835 CB ALA A 108 86.881 46.940 97.187 1.00 0.00 ATOM 836 O ALA A 108 89.298 45.981 99.138 1.00 0.00 ATOM 837 C ALA A 108 89.156 46.580 98.073 1.00 0.00 ATOM 838 N LEU A 109 89.950 46.379 97.026 1.00 0.00 ATOM 839 CA LEU A 109 91.060 45.428 97.089 1.00 0.00 ATOM 840 CB LEU A 109 91.765 45.338 95.733 1.00 0.00 ATOM 841 CG LEU A 109 90.977 44.674 94.602 1.00 0.00 ATOM 842 CD1 LEU A 109 91.716 44.812 93.280 1.00 0.00 ATOM 843 CD2 LEU A 109 90.779 43.192 94.883 1.00 0.00 ATOM 844 O LEU A 109 92.576 45.004 98.909 1.00 0.00 ATOM 845 C LEU A 109 92.104 45.838 98.134 1.00 0.00 ATOM 846 N ALA A 110 92.446 47.104 98.162 1.00 0.00 ATOM 847 CA ALA A 110 93.381 47.600 99.164 1.00 0.00 ATOM 848 CB ALA A 110 93.645 49.088 98.999 1.00 0.00 ATOM 849 O ALA A 110 93.589 46.991 101.467 1.00 0.00 ATOM 850 C ALA A 110 92.839 47.358 100.567 1.00 0.00 ATOM 851 N LEU A 111 91.538 47.562 100.756 1.00 0.00 ATOM 852 CA LEU A 111 90.952 47.330 102.066 1.00 0.00 ATOM 853 CB LEU A 111 89.481 47.691 102.042 1.00 0.00 ATOM 854 CG LEU A 111 89.206 49.193 101.911 1.00 0.00 ATOM 855 CD1 LEU A 111 87.719 49.441 101.652 1.00 0.00 ATOM 856 CD2 LEU A 111 89.682 49.923 103.163 1.00 0.00 ATOM 857 O LEU A 111 91.496 45.543 103.559 1.00 0.00 ATOM 858 C LEU A 111 91.145 45.860 102.423 1.00 0.00 ATOM 859 N ASP A 112 90.942 44.968 101.454 1.00 0.00 ATOM 860 CA ASP A 112 91.148 43.544 101.704 1.00 0.00 ATOM 861 CB ASP A 112 90.895 42.734 100.431 1.00 0.00 ATOM 862 CG ASP A 112 91.028 41.240 100.654 1.00 0.00 ATOM 863 OD1 ASP A 112 90.257 40.690 101.469 1.00 0.00 ATOM 864 OD2 ASP A 112 91.905 40.620 100.015 1.00 0.00 ATOM 865 O ASP A 112 92.850 42.540 103.079 1.00 0.00 ATOM 866 C ASP A 112 92.591 43.261 102.123 1.00 0.00 ATOM 867 N GLY A 113 93.539 43.867 101.438 1.00 0.00 ATOM 868 CA GLY A 113 94.945 43.666 101.763 1.00 0.00 ATOM 869 O GLY A 113 96.189 43.736 103.789 1.00 0.00 ATOM 870 C GLY A 113 95.259 44.206 103.143 1.00 0.00 ATOM 871 N LEU A 114 94.512 45.224 103.568 1.00 0.00 ATOM 872 CA LEU A 114 94.727 45.834 104.880 1.00 0.00 ATOM 873 CB LEU A 114 94.273 47.295 104.861 1.00 0.00 ATOM 874 CG LEU A 114 95.015 48.224 103.898 1.00 0.00 ATOM 875 CD1 LEU A 114 94.398 49.615 103.908 1.00 0.00 ATOM 876 CD2 LEU A 114 96.478 48.350 104.293 1.00 0.00 ATOM 877 O LEU A 114 94.193 45.413 107.193 1.00 0.00 ATOM 878 C LEU A 114 93.976 45.125 106.012 1.00 0.00 ATOM 879 N GLY A 115 93.099 44.195 105.653 1.00 0.00 ATOM 880 CA GLY A 115 92.342 43.482 106.665 1.00 0.00 ATOM 881 O GLY A 115 90.330 43.749 107.905 1.00 0.00 ATOM 882 C GLY A 115 91.053 44.200 107.024 1.00 0.00 ATOM 883 N ARG A 116 90.765 45.315 106.359 1.00 0.00 ATOM 884 CA ARG A 116 89.533 46.059 106.612 1.00 0.00 ATOM 885 CB ARG A 116 89.732 47.546 106.312 1.00 0.00 ATOM 886 CG ARG A 116 90.787 48.217 107.176 1.00 0.00 ATOM 887 CD ARG A 116 90.931 49.689 106.828 1.00 0.00 ATOM 888 NE ARG A 116 91.999 50.331 107.590 1.00 0.00 ATOM 889 CZ ARG A 116 92.352 51.606 107.456 1.00 0.00 ATOM 890 NH1 ARG A 116 93.337 52.102 108.192 1.00 0.00 ATOM 891 NH2 ARG A 116 91.720 52.379 106.585 1.00 0.00 ATOM 892 O ARG A 116 88.072 46.107 104.692 1.00 0.00 ATOM 893 C ARG A 116 88.481 45.475 105.670 1.00 0.00 ATOM 894 N GLY A 117 88.095 44.208 106.007 1.00 0.00 ATOM 895 CA GLY A 117 87.112 43.511 105.195 1.00 0.00 ATOM 896 O GLY A 117 85.170 44.038 103.919 1.00 0.00 ATOM 897 C GLY A 117 85.731 44.113 105.013 1.00 0.00 ATOM 898 N ALA A 118 85.169 44.669 106.066 1.00 0.00 ATOM 899 CA ALA A 118 83.842 45.277 106.004 1.00 0.00 ATOM 900 CB ALA A 118 83.385 45.775 107.367 1.00 0.00 ATOM 901 O ALA A 118 82.988 46.609 104.189 1.00 0.00 ATOM 902 C ALA A 118 83.879 46.454 105.025 1.00 0.00 ATOM 903 N GLU A 119 84.912 47.280 105.128 1.00 0.00 ATOM 904 CA GLU A 119 85.042 48.420 104.223 1.00 0.00 ATOM 905 CB GLU A 119 86.163 49.320 104.809 1.00 0.00 ATOM 906 CG GLU A 119 85.874 49.951 106.205 1.00 0.00 ATOM 907 CD GLU A 119 86.068 49.069 107.452 1.00 0.00 ATOM 908 OE1 GLU A 119 86.361 47.866 107.379 1.00 0.00 ATOM 909 OE2 GLU A 119 85.948 49.605 108.555 1.00 0.00 ATOM 910 O GLU A 119 84.703 48.540 101.846 1.00 0.00 ATOM 911 C GLU A 119 85.224 47.935 102.786 1.00 0.00 ATOM 912 N ALA A 120 85.963 46.843 102.618 1.00 0.00 ATOM 913 CA ALA A 120 86.181 46.285 101.287 1.00 0.00 ATOM 914 CB ALA A 120 87.059 45.047 101.368 1.00 0.00 ATOM 915 O ALA A 120 84.519 46.209 99.534 1.00 0.00 ATOM 916 C ALA A 120 84.813 45.895 100.722 1.00 0.00 ATOM 917 N MET A 121 84.002 45.247 101.517 1.00 0.00 ATOM 918 CA MET A 121 82.681 44.830 101.048 1.00 0.00 ATOM 919 CB MET A 121 81.962 44.027 102.133 1.00 0.00 ATOM 920 CG MET A 121 82.562 42.653 102.389 1.00 0.00 ATOM 921 SD MET A 121 82.504 41.588 100.936 1.00 0.00 ATOM 922 CE MET A 121 80.743 41.298 100.798 1.00 0.00 ATOM 923 O MET A 121 81.203 46.100 99.654 1.00 0.00 ATOM 924 C MET A 121 81.842 46.056 100.707 1.00 0.00 ATOM 925 N PRO A 122 81.866 47.049 101.591 1.00 0.00 ATOM 926 CA PRO A 122 81.093 48.272 101.390 1.00 0.00 ATOM 927 CB PRO A 122 81.330 49.123 102.593 1.00 0.00 ATOM 928 CG PRO A 122 81.538 48.116 103.682 1.00 0.00 ATOM 929 CD PRO A 122 82.300 46.988 103.037 1.00 0.00 ATOM 930 O PRO A 122 80.747 49.633 99.434 1.00 0.00 ATOM 931 C PRO A 122 81.553 49.013 100.140 1.00 0.00 ATOM 932 N GLU A 123 82.855 48.966 99.868 1.00 0.00 ATOM 933 CA GLU A 123 83.376 49.643 98.696 1.00 0.00 ATOM 934 CB GLU A 123 84.901 49.536 98.646 1.00 0.00 ATOM 935 CG GLU A 123 85.618 50.405 99.665 1.00 0.00 ATOM 936 CD GLU A 123 85.325 51.881 99.481 1.00 0.00 ATOM 937 OE1 GLU A 123 85.505 52.386 98.354 1.00 0.00 ATOM 938 OE2 GLU A 123 84.914 52.533 100.465 1.00 0.00 ATOM 939 O GLU A 123 82.372 49.733 96.522 1.00 0.00 ATOM 940 C GLU A 123 82.813 49.023 97.427 1.00 0.00 ATOM 941 N PHE A 124 82.849 47.698 97.350 1.00 0.00 ATOM 942 CA PHE A 124 82.344 47.000 96.173 1.00 0.00 ATOM 943 CB PHE A 124 82.477 45.486 96.351 1.00 0.00 ATOM 944 CG PHE A 124 81.971 44.692 95.180 1.00 0.00 ATOM 945 CD1 PHE A 124 82.741 44.549 94.037 1.00 0.00 ATOM 946 CD2 PHE A 124 80.727 44.089 95.219 1.00 0.00 ATOM 947 CE1 PHE A 124 82.276 43.818 92.961 1.00 0.00 ATOM 948 CE2 PHE A 124 80.261 43.358 94.143 1.00 0.00 ATOM 949 CZ PHE A 124 81.030 43.222 93.017 1.00 0.00 ATOM 950 O PHE A 124 80.441 47.596 94.823 1.00 0.00 ATOM 951 C PHE A 124 80.871 47.336 95.949 1.00 0.00 ATOM 952 N LYS A 125 80.134 47.293 97.023 1.00 0.00 ATOM 953 CA LYS A 125 78.707 47.587 96.978 1.00 0.00 ATOM 954 CB LYS A 125 78.059 47.509 98.362 1.00 0.00 ATOM 955 CG LYS A 125 77.983 46.102 98.934 1.00 0.00 ATOM 956 CD LYS A 125 77.329 46.099 100.306 1.00 0.00 ATOM 957 CE LYS A 125 77.275 44.695 100.887 1.00 0.00 ATOM 958 NZ LYS A 125 76.667 44.680 102.247 1.00 0.00 ATOM 959 O LYS A 125 77.513 49.182 95.624 1.00 0.00 ATOM 960 C LYS A 125 78.453 48.988 96.405 1.00 0.00 ATOM 961 N LYS A 126 79.288 49.956 96.775 1.00 0.00 ATOM 962 CA LYS A 126 79.133 51.308 96.231 1.00 0.00 ATOM 963 CB LYS A 126 80.128 52.268 96.887 1.00 0.00 ATOM 964 CG LYS A 126 79.823 52.577 98.343 1.00 0.00 ATOM 965 CD LYS A 126 80.851 53.527 98.933 1.00 0.00 ATOM 966 CE LYS A 126 80.549 53.834 100.391 1.00 0.00 ATOM 967 NZ LYS A 126 81.567 54.740 100.992 1.00 0.00 ATOM 968 O LYS A 126 78.709 51.963 93.959 1.00 0.00 ATOM 969 C LYS A 126 79.383 51.279 94.724 1.00 0.00 ATOM 970 N VAL A 127 80.337 50.437 94.304 1.00 0.00 ATOM 971 CA VAL A 127 80.661 50.302 92.889 1.00 0.00 ATOM 972 CB VAL A 127 81.968 49.593 92.622 1.00 0.00 ATOM 973 CG1 VAL A 127 81.867 48.107 92.849 1.00 0.00 ATOM 974 CG2 VAL A 127 82.396 49.917 91.192 1.00 0.00 ATOM 975 O VAL A 127 79.153 50.126 91.021 1.00 0.00 ATOM 976 C VAL A 127 79.496 49.674 92.119 1.00 0.00 ATOM 977 N VAL A 128 78.865 48.672 92.704 1.00 0.00 ATOM 978 CA VAL A 128 77.685 48.048 92.108 1.00 0.00 ATOM 979 CB VAL A 128 77.107 46.918 92.981 1.00 0.00 ATOM 980 CG1 VAL A 128 75.787 46.424 92.410 1.00 0.00 ATOM 981 CG2 VAL A 128 78.074 45.745 93.040 1.00 0.00 ATOM 982 O VAL A 128 76.023 49.175 90.779 1.00 0.00 ATOM 983 C VAL A 128 76.612 49.103 91.858 1.00 0.00 ATOM 984 N GLU A 129 76.328 49.927 92.878 1.00 0.00 ATOM 985 CA GLU A 129 75.283 50.924 92.745 1.00 0.00 ATOM 986 CB GLU A 129 75.085 51.640 94.084 1.00 0.00 ATOM 987 CG GLU A 129 74.484 50.766 95.172 1.00 0.00 ATOM 988 CD GLU A 129 74.387 51.480 96.506 1.00 0.00 ATOM 989 OE1 GLU A 129 74.849 52.637 96.595 1.00 0.00 ATOM 990 OE2 GLU A 129 73.850 50.883 97.462 1.00 0.00 ATOM 991 O GLU A 129 74.751 52.336 90.870 1.00 0.00 ATOM 992 C GLU A 129 75.622 51.923 91.638 1.00 0.00 ATOM 993 N MET A 130 76.882 52.306 91.547 1.00 0.00 ATOM 994 CA MET A 130 77.298 53.258 90.533 1.00 0.00 ATOM 995 CB MET A 130 78.749 53.675 90.786 1.00 0.00 ATOM 996 CG MET A 130 78.956 54.450 92.077 1.00 0.00 ATOM 997 SD MET A 130 77.948 55.942 92.162 1.00 0.00 ATOM 998 CE MET A 130 78.704 56.935 90.876 1.00 0.00 ATOM 999 O MET A 130 76.907 53.477 88.166 1.00 0.00 ATOM 1000 C MET A 130 77.219 52.722 89.098 1.00 0.00 ATOM 1001 N ILE A 131 77.506 51.427 88.935 1.00 0.00 ATOM 1002 CA ILE A 131 77.482 50.791 87.614 1.00 0.00 ATOM 1003 CB ILE A 131 77.893 49.318 87.709 1.00 0.00 ATOM 1004 CG1 ILE A 131 79.320 49.227 88.264 1.00 0.00 ATOM 1005 CG2 ILE A 131 77.802 48.656 86.329 1.00 0.00 ATOM 1006 CD1 ILE A 131 79.818 47.811 88.461 1.00 0.00 ATOM 1007 O ILE A 131 75.953 51.188 85.785 1.00 0.00 ATOM 1008 C ILE A 131 76.089 50.909 86.983 1.00 0.00 ATOM 1009 N GLU A 132 75.063 50.710 87.805 1.00 0.00 ATOM 1010 CA GLU A 132 73.674 50.825 87.364 1.00 0.00 ATOM 1011 CB GLU A 132 72.691 50.363 88.355 1.00 0.00 ATOM 1012 CG GLU A 132 72.628 48.833 88.353 1.00 0.00 ATOM 1013 CD GLU A 132 71.507 48.265 89.199 1.00 0.00 ATOM 1014 OE1 GLU A 132 70.384 48.807 89.152 1.00 0.00 ATOM 1015 OE2 GLU A 132 71.747 47.261 89.900 1.00 0.00 ATOM 1016 O GLU A 132 72.693 52.559 86.014 1.00 0.00 ATOM 1017 C GLU A 132 73.372 52.286 87.007 1.00 0.00 ATOM 1018 N GLU A 133 73.903 53.206 87.815 1.00 0.00 ATOM 1019 CA GLU A 133 73.684 54.640 87.560 1.00 0.00 ATOM 1020 CB GLU A 133 74.125 55.516 88.711 1.00 0.00 ATOM 1021 CG GLU A 133 73.901 56.984 88.388 1.00 0.00 ATOM 1022 CD GLU A 133 74.036 57.907 89.584 1.00 0.00 ATOM 1023 OE1 GLU A 133 73.532 57.564 90.677 1.00 0.00 ATOM 1024 OE2 GLU A 133 74.609 59.002 89.408 1.00 0.00 ATOM 1025 O GLU A 133 73.685 55.730 85.419 1.00 0.00 ATOM 1026 C GLU A 133 74.303 55.019 86.219 1.00 0.00 ATOM 1027 N ARG A 134 75.480 54.502 85.951 1.00 0.00 ATOM 1028 CA ARG A 134 76.172 54.791 84.696 1.00 0.00 ATOM 1029 CB ARG A 134 77.656 54.434 84.811 1.00 0.00 ATOM 1030 CG ARG A 134 78.393 55.187 85.906 1.00 0.00 ATOM 1031 CD ARG A 134 78.431 56.679 85.620 1.00 0.00 ATOM 1032 NE ARG A 134 79.237 57.405 86.599 1.00 0.00 ATOM 1033 CZ ARG A 134 79.298 58.729 86.681 1.00 0.00 ATOM 1034 NH1 ARG A 134 80.059 59.302 87.605 1.00 0.00 ATOM 1035 NH2 ARG A 134 78.600 59.479 85.840 1.00 0.00 ATOM 1036 O ARG A 134 75.402 54.615 82.430 1.00 0.00 ATOM 1037 C ARG A 134 75.601 54.028 83.523 1.00 0.00 ATOM 1038 N LYS A 135 75.278 52.763 83.681 1.00 0.00 ATOM 1039 CA LYS A 135 74.665 51.974 82.595 1.00 0.00 ATOM 1040 CB LYS A 135 75.648 50.907 82.107 1.00 0.00 ATOM 1041 CG LYS A 135 76.904 51.469 81.462 1.00 0.00 ATOM 1042 CD LYS A 135 76.569 52.309 80.240 1.00 0.00 ATOM 1043 CE LYS A 135 77.827 52.828 79.564 1.00 0.00 ATOM 1044 NZ LYS A 135 77.513 53.679 78.383 1.00 0.00 ATOM 1045 O LYS A 135 73.726 50.410 84.161 1.00 0.00 ATOM 1046 C LYS A 135 73.536 51.378 83.425 1.00 0.00 ATOM 1047 N GLY A 136 72.293 51.986 83.256 1.00 0.00 ATOM 1048 CA GLY A 136 71.147 51.517 84.005 1.00 0.00 ATOM 1049 O GLY A 136 70.195 49.328 84.028 1.00 0.00 ATOM 1050 C GLY A 136 70.539 50.295 83.349 1.00 0.00 ATOM 1051 N GLU A 137 70.399 50.298 82.015 1.00 0.00 ATOM 1052 CA GLU A 137 69.808 49.181 81.277 1.00 0.00 ATOM 1053 CB GLU A 137 69.278 49.639 79.919 1.00 0.00 ATOM 1054 CG GLU A 137 68.179 50.688 80.002 1.00 0.00 ATOM 1055 CD GLU A 137 67.701 51.140 78.637 1.00 0.00 ATOM 1056 OE1 GLU A 137 68.173 50.578 77.625 1.00 0.00 ATOM 1057 OE2 GLU A 137 66.853 52.057 78.578 1.00 0.00 ATOM 1058 O GLU A 137 70.119 46.856 80.794 1.00 0.00 ATOM 1059 C GLU A 137 70.645 47.910 81.162 1.00 0.00 ATOM 1060 N THR A 138 71.935 47.987 81.438 1.00 0.00 ATOM 1061 CA THR A 138 72.824 46.826 81.397 1.00 0.00 ATOM 1062 CB THR A 138 74.035 47.203 80.522 1.00 0.00 ATOM 1063 CG2 THR A 138 74.961 46.009 80.350 1.00 0.00 ATOM 1064 OG1 THR A 138 73.581 47.629 79.232 1.00 0.00 ATOM 1065 O THR A 138 74.109 47.116 83.414 1.00 0.00 ATOM 1066 C THR A 138 73.326 46.407 82.780 1.00 0.00 ATOM 1067 N PRO A 139 72.876 45.242 83.226 1.00 0.00 ATOM 1068 CA PRO A 139 73.208 44.696 84.540 1.00 0.00 ATOM 1069 CB PRO A 139 72.015 43.801 84.882 1.00 0.00 ATOM 1070 CG PRO A 139 71.519 43.320 83.559 1.00 0.00 ATOM 1071 CD PRO A 139 71.814 44.420 82.579 1.00 0.00 ATOM 1072 O PRO A 139 74.706 43.013 83.707 1.00 0.00 ATOM 1073 C PRO A 139 74.504 43.888 84.546 1.00 0.00 ATOM 1074 N GLY A 140 75.365 44.165 85.520 1.00 0.00 ATOM 1075 CA GLY A 140 76.626 43.449 85.608 1.00 0.00 ATOM 1076 O GLY A 140 77.749 44.730 83.914 1.00 0.00 ATOM 1077 C GLY A 140 77.809 44.209 85.035 1.00 0.00 ATOM 1078 N LYS A 141 78.965 44.212 85.823 1.00 0.00 ATOM 1079 CA LYS A 141 80.166 44.902 85.373 1.00 0.00 ATOM 1080 CB LYS A 141 81.275 44.785 86.420 1.00 0.00 ATOM 1081 CG LYS A 141 82.555 45.517 86.052 1.00 0.00 ATOM 1082 CD LYS A 141 83.585 45.424 87.168 1.00 0.00 ATOM 1083 CE LYS A 141 84.876 46.131 86.788 1.00 0.00 ATOM 1084 NZ LYS A 141 85.897 46.037 87.866 1.00 0.00 ATOM 1085 O LYS A 141 81.036 45.043 83.157 1.00 0.00 ATOM 1086 C LYS A 141 80.671 44.307 84.058 1.00 0.00 ATOM 1087 N GLU A 142 80.692 42.983 83.946 1.00 0.00 ATOM 1088 CA GLU A 142 81.172 42.341 82.732 1.00 0.00 ATOM 1089 CB GLU A 142 81.138 40.818 82.882 1.00 0.00 ATOM 1090 CG GLU A 142 82.175 40.266 83.846 1.00 0.00 ATOM 1091 CD GLU A 142 82.051 38.769 84.041 1.00 0.00 ATOM 1092 OE1 GLU A 142 81.111 38.172 83.477 1.00 0.00 ATOM 1093 OE2 GLU A 142 82.896 38.192 84.759 1.00 0.00 ATOM 1094 O GLU A 142 80.821 42.857 80.420 1.00 0.00 ATOM 1095 C GLU A 142 80.324 42.716 81.537 1.00 0.00 ATOM 1096 N ARG A 143 79.036 42.888 81.778 1.00 0.00 ATOM 1097 CA ARG A 143 78.113 43.231 80.717 1.00 0.00 ATOM 1098 CB ARG A 143 76.680 43.024 81.208 1.00 0.00 ATOM 1099 CG ARG A 143 76.366 41.547 81.404 1.00 0.00 ATOM 1100 CD ARG A 143 74.890 41.346 81.707 1.00 0.00 ATOM 1101 NE ARG A 143 74.626 39.951 82.067 1.00 0.00 ATOM 1102 CZ ARG A 143 73.419 39.400 81.983 1.00 0.00 ATOM 1103 NH1 ARG A 143 72.412 40.121 81.505 1.00 0.00 ATOM 1104 NH2 ARG A 143 73.257 38.140 82.360 1.00 0.00 ATOM 1105 O ARG A 143 78.301 44.928 79.022 1.00 0.00 ATOM 1106 C ARG A 143 78.362 44.656 80.222 1.00 0.00 ATOM 1107 N MET A 144 78.647 45.511 81.139 1.00 0.00 ATOM 1108 CA MET A 144 78.920 46.904 80.790 1.00 0.00 ATOM 1109 CB MET A 144 79.056 47.777 82.040 1.00 0.00 ATOM 1110 CG MET A 144 79.256 49.255 81.746 1.00 0.00 ATOM 1111 SD MET A 144 79.416 50.247 83.243 1.00 0.00 ATOM 1112 CE MET A 144 81.048 49.761 83.799 1.00 0.00 ATOM 1113 O MET A 144 80.276 47.778 79.029 1.00 0.00 ATOM 1114 C MET A 144 80.206 47.010 79.979 1.00 0.00 ATOM 1115 N MET A 145 81.210 46.230 80.359 1.00 0.00 ATOM 1116 CA MET A 145 82.496 46.227 79.665 1.00 0.00 ATOM 1117 CB MET A 145 83.494 45.321 80.388 1.00 0.00 ATOM 1118 CG MET A 145 83.953 45.853 81.736 1.00 0.00 ATOM 1119 SD MET A 145 85.047 44.710 82.601 1.00 0.00 ATOM 1120 CE MET A 145 86.504 44.786 81.562 1.00 0.00 ATOM 1121 O MET A 145 82.976 46.302 77.319 1.00 0.00 ATOM 1122 C MET A 145 82.376 45.724 78.224 1.00 0.00 ATOM 1123 N GLU A 146 81.609 44.654 78.016 1.00 0.00 ATOM 1124 CA GLU A 146 81.452 44.091 76.687 1.00 0.00 ATOM 1125 CB GLU A 146 80.696 42.763 76.754 1.00 0.00 ATOM 1126 CG GLU A 146 81.486 41.630 77.390 1.00 0.00 ATOM 1127 CD GLU A 146 80.664 40.366 77.552 1.00 0.00 ATOM 1128 OE1 GLU A 146 79.457 40.397 77.231 1.00 0.00 ATOM 1129 OE2 GLU A 146 81.227 39.345 77.997 1.00 0.00 ATOM 1130 O GLU A 146 80.997 45.224 74.644 1.00 0.00 ATOM 1131 C GLU A 146 80.672 45.056 75.810 1.00 0.00 ATOM 1132 N VAL A 147 79.660 45.709 76.355 1.00 0.00 ATOM 1133 CA VAL A 147 78.879 46.683 75.594 1.00 0.00 ATOM 1134 CB VAL A 147 77.685 47.211 76.410 1.00 0.00 ATOM 1135 CG1 VAL A 147 77.002 48.355 75.677 1.00 0.00 ATOM 1136 CG2 VAL A 147 76.664 46.105 76.634 1.00 0.00 ATOM 1137 O VAL A 147 79.676 48.332 74.035 1.00 0.00 ATOM 1138 C VAL A 147 79.746 47.884 75.188 1.00 0.00 ATOM 1139 N ALA A 148 80.542 48.408 76.126 1.00 0.00 ATOM 1140 CA ALA A 148 81.480 49.490 75.815 1.00 0.00 ATOM 1141 CB ALA A 148 82.320 49.834 77.035 1.00 0.00 ATOM 1142 O ALA A 148 82.831 49.832 73.865 1.00 0.00 ATOM 1143 C ALA A 148 82.474 49.058 74.748 1.00 0.00 ATOM 1144 N ILE A 149 82.926 47.804 74.837 1.00 0.00 ATOM 1145 CA ILE A 149 83.867 47.250 73.868 1.00 0.00 ATOM 1146 CB ILE A 149 84.223 45.800 74.244 1.00 0.00 ATOM 1147 CG1 ILE A 149 85.125 45.777 75.480 1.00 0.00 ATOM 1148 CG2 ILE A 149 84.955 45.117 73.100 1.00 0.00 ATOM 1149 CD1 ILE A 149 85.300 44.399 76.080 1.00 0.00 ATOM 1150 O ILE A 149 83.788 47.635 71.505 1.00 0.00 ATOM 1151 C ILE A 149 83.209 47.215 72.492 1.00 0.00 ATOM 1152 N ASP A 150 81.962 46.775 72.475 1.00 0.00 ATOM 1153 CA ASP A 150 81.232 46.564 71.225 1.00 0.00 ATOM 1154 CB ASP A 150 79.946 45.776 71.486 1.00 0.00 ATOM 1155 CG ASP A 150 80.212 44.322 71.820 1.00 0.00 ATOM 1156 OD1 ASP A 150 81.356 43.864 71.613 1.00 0.00 ATOM 1157 OD2 ASP A 150 79.278 43.640 72.292 1.00 0.00 ATOM 1158 O ASP A 150 81.055 48.127 69.401 1.00 0.00 ATOM 1159 C ASP A 150 80.912 47.929 70.609 1.00 0.00 ATOM 1160 N ARG A 151 80.481 48.849 71.450 1.00 0.00 ATOM 1161 CA ARG A 151 80.140 50.185 70.976 1.00 0.00 ATOM 1162 CB ARG A 151 79.597 51.045 72.116 1.00 0.00 ATOM 1163 CG ARG A 151 79.367 52.506 71.729 1.00 0.00 ATOM 1164 CD ARG A 151 78.739 53.293 72.869 1.00 0.00 ATOM 1165 NE ARG A 151 79.599 53.351 74.047 1.00 0.00 ATOM 1166 CZ ARG A 151 80.632 54.178 74.183 1.00 0.00 ATOM 1167 NH1 ARG A 151 80.938 55.035 73.218 1.00 0.00 ATOM 1168 NH2 ARG A 151 81.365 54.138 75.289 1.00 0.00 ATOM 1169 O ARG A 151 81.300 51.471 69.347 1.00 0.00 ATOM 1170 C ARG A 151 81.385 50.864 70.398 1.00 0.00 ATOM 1171 N ILE A 152 82.522 50.774 71.086 1.00 0.00 ATOM 1172 CA ILE A 152 83.750 51.425 70.620 1.00 0.00 ATOM 1173 CB ILE A 152 84.891 51.233 71.627 1.00 0.00 ATOM 1174 CG1 ILE A 152 84.616 52.066 72.879 1.00 0.00 ATOM 1175 CG2 ILE A 152 86.220 51.641 70.993 1.00 0.00 ATOM 1176 CD1 ILE A 152 85.549 51.739 74.050 1.00 0.00 ATOM 1177 O ILE A 152 84.412 51.574 68.319 1.00 0.00 ATOM 1178 C ILE A 152 84.150 50.840 69.270 1.00 0.00 ATOM 1179 N ALA A 153 84.167 49.532 69.174 1.00 0.00 ATOM 1180 CA ALA A 153 84.546 48.879 67.926 1.00 0.00 ATOM 1181 CB ALA A 153 84.659 47.376 68.130 1.00 0.00 ATOM 1182 O ALA A 153 83.919 49.413 65.664 1.00 0.00 ATOM 1183 C ALA A 153 83.539 49.134 66.804 1.00 0.00 ATOM 1184 N GLN A 154 82.255 49.025 67.124 1.00 0.00 ATOM 1185 CA GLN A 154 81.218 49.259 66.126 1.00 0.00 ATOM 1186 CB GLN A 154 79.853 48.970 66.709 1.00 0.00 ATOM 1187 CG GLN A 154 78.693 49.232 65.808 1.00 0.00 ATOM 1188 CD GLN A 154 77.409 48.852 66.501 1.00 0.00 ATOM 1189 OE1 GLN A 154 77.139 49.339 67.627 1.00 0.00 ATOM 1190 NE2 GLN A 154 76.641 47.985 65.915 1.00 0.00 ATOM 1191 O GLN A 154 81.239 50.945 64.412 1.00 0.00 ATOM 1192 C GLN A 154 81.285 50.698 65.617 1.00 0.00 ATOM 1193 N LEU A 155 81.343 51.648 66.543 1.00 0.00 ATOM 1194 CA LEU A 155 81.412 53.059 66.179 1.00 0.00 ATOM 1195 CB LEU A 155 81.513 53.931 67.431 1.00 0.00 ATOM 1196 CG LEU A 155 80.265 53.999 68.313 1.00 0.00 ATOM 1197 CD1 LEU A 155 80.559 54.746 69.605 1.00 0.00 ATOM 1198 CD2 LEU A 155 79.136 54.722 67.592 1.00 0.00 ATOM 1199 O LEU A 155 82.583 54.069 64.338 1.00 0.00 ATOM 1200 C LEU A 155 82.644 53.322 65.316 1.00 0.00 ATOM 1201 N GLY A 156 83.760 52.693 65.674 1.00 0.00 ATOM 1202 CA GLY A 156 84.998 52.861 64.922 1.00 0.00 ATOM 1203 O GLY A 156 85.253 53.170 62.550 1.00 0.00 ATOM 1204 C GLY A 156 84.800 52.466 63.464 1.00 0.00 ATOM 1205 N ALA A 157 84.067 51.365 63.252 1.00 0.00 ATOM 1206 CA ALA A 157 83.784 50.881 61.905 1.00 0.00 ATOM 1207 CB ALA A 157 83.037 49.557 61.940 1.00 0.00 ATOM 1208 O ALA A 157 83.190 52.119 59.933 1.00 0.00 ATOM 1209 C ALA A 157 82.948 51.886 61.117 1.00 0.00 ATOM 1210 N SER A 158 81.962 52.482 61.782 1.00 0.00 ATOM 1211 CA SER A 158 81.116 53.479 61.137 1.00 0.00 ATOM 1212 CB SER A 158 80.000 53.926 62.084 1.00 0.00 ATOM 1213 OG SER A 158 79.094 52.867 62.342 1.00 0.00 ATOM 1214 O SER A 158 81.873 55.205 59.652 1.00 0.00 ATOM 1215 C SER A 158 81.965 54.686 60.764 1.00 0.00 ATOM 1216 N ASN A 159 82.806 55.121 61.699 1.00 0.00 ATOM 1217 CA ASN A 159 83.669 56.270 61.466 1.00 0.00 ATOM 1218 CB ASN A 159 84.379 56.677 62.758 1.00 0.00 ATOM 1219 CG ASN A 159 83.445 57.333 63.755 1.00 0.00 ATOM 1220 ND2 ASN A 159 83.841 57.335 65.023 1.00 0.00 ATOM 1221 OD1 ASN A 159 82.380 57.829 63.389 1.00 0.00 ATOM 1222 O ASN A 159 85.211 56.893 59.718 1.00 0.00 ATOM 1223 C ASN A 159 84.713 55.970 60.376 1.00 0.00 ATOM 1224 N GLN A 160 85.051 54.717 60.222 1.00 0.00 ATOM 1225 CA GLN A 160 86.033 54.353 59.207 1.00 0.00 ATOM 1226 CB GLN A 160 86.419 52.878 59.336 1.00 0.00 ATOM 1227 CG GLN A 160 87.189 52.548 60.605 1.00 0.00 ATOM 1228 CD GLN A 160 87.530 51.074 60.713 1.00 0.00 ATOM 1229 OE1 GLN A 160 87.221 50.289 59.817 1.00 0.00 ATOM 1230 NE2 GLN A 160 88.172 50.695 61.812 1.00 0.00 ATOM 1231 O GLN A 160 86.033 55.144 56.922 1.00 0.00 ATOM 1232 C GLN A 160 85.363 54.691 57.852 1.00 0.00 ATOM 1233 N GLN A 161 83.986 54.428 57.657 1.00 0.00 ATOM 1234 CA GLN A 161 83.290 54.679 56.393 1.00 0.00 ATOM 1235 CB GLN A 161 81.970 53.906 56.367 1.00 0.00 ATOM 1236 CG GLN A 161 82.134 52.395 56.346 1.00 0.00 ATOM 1237 CD GLN A 161 80.813 51.663 56.461 1.00 0.00 ATOM 1238 OE1 GLN A 161 79.756 52.284 56.577 1.00 0.00 ATOM 1239 NE2 GLN A 161 80.869 50.337 56.429 1.00 0.00 ATOM 1240 O GLN A 161 83.045 56.690 55.098 1.00 0.00 ATOM 1241 C GLN A 161 82.994 56.171 56.210 1.00 0.00 ATOM 1242 N LYS A 162 82.682 56.848 57.312 1.00 0.00 ATOM 1243 CA LYS A 162 82.411 58.291 57.312 1.00 0.00 ATOM 1244 CB LYS A 162 80.995 58.552 56.671 1.00 0.00 ATOM 1245 CG LYS A 162 80.617 57.873 55.359 1.00 0.00 ATOM 1246 CD LYS A 162 81.035 58.738 54.183 1.00 0.00 ATOM 1247 CE LYS A 162 80.622 58.123 52.850 1.00 0.00 ATOM 1248 NZ LYS A 162 80.686 56.637 52.838 1.00 0.00 ATOM 1249 O LYS A 162 82.288 58.726 59.671 1.00 0.00 ATOM 1250 C LYS A 162 82.956 58.807 58.638 1.00 0.00 ATOM 1251 N LYS A 163 84.177 59.326 58.600 1.00 0.00 ATOM 1252 CA LYS A 163 84.850 59.804 59.804 1.00 0.00 ATOM 1253 CB LYS A 163 86.272 60.261 59.474 1.00 0.00 ATOM 1254 CG LYS A 163 87.186 59.146 58.991 1.00 0.00 ATOM 1255 CD LYS A 163 88.589 59.663 58.713 1.00 0.00 ATOM 1256 CE LYS A 163 89.502 58.551 58.228 1.00 0.00 ATOM 1257 NZ LYS A 163 90.876 59.045 57.941 1.00 0.00 ATOM 1258 O LYS A 163 84.660 61.385 61.589 1.00 0.00 ATOM 1259 C LYS A 163 84.198 60.980 60.520 1.00 0.00 ATOM 1260 N PRO A 164 83.099 61.536 59.871 1.00 0.00 ATOM 1261 CA PRO A 164 82.442 62.688 60.476 1.00 0.00 ATOM 1262 CB PRO A 164 82.524 63.770 59.397 1.00 0.00 ATOM 1263 CG PRO A 164 82.367 63.029 58.111 1.00 0.00 ATOM 1264 CD PRO A 164 83.037 61.698 58.312 1.00 0.00 ATOM 1265 O PRO A 164 80.290 63.390 61.283 1.00 0.00 ATOM 1266 C PRO A 164 80.980 62.454 60.869 1.00 0.00 ATOM 1267 N GLY A 165 80.511 61.213 60.774 1.00 0.00 ATOM 1268 CA GLY A 165 79.125 60.917 61.134 1.00 0.00 ATOM 1269 O GLY A 165 79.441 61.086 63.516 1.00 0.00 ATOM 1270 C GLY A 165 78.840 61.495 62.519 1.00 0.00 ATOM 1271 N TYR A 166 77.923 62.463 62.550 1.00 0.00 ATOM 1272 CA TYR A 166 77.592 63.136 63.799 1.00 0.00 ATOM 1273 CB TYR A 166 76.532 64.213 63.563 1.00 0.00 ATOM 1274 CG TYR A 166 76.102 64.934 64.821 1.00 0.00 ATOM 1275 CD1 TYR A 166 76.882 65.948 65.362 1.00 0.00 ATOM 1276 CD2 TYR A 166 74.917 64.598 65.464 1.00 0.00 ATOM 1277 CE1 TYR A 166 76.495 66.613 66.511 1.00 0.00 ATOM 1278 CE2 TYR A 166 74.516 65.252 66.612 1.00 0.00 ATOM 1279 CZ TYR A 166 75.316 66.266 67.134 1.00 0.00 ATOM 1280 OH TYR A 166 74.930 66.926 68.278 1.00 0.00 ATOM 1281 O TYR A 166 77.444 62.288 66.036 1.00 0.00 ATOM 1282 C TYR A 166 77.035 62.206 64.882 1.00 0.00 ATOM 1283 N LYS A 167 76.099 61.334 64.513 1.00 0.00 ATOM 1284 CA LYS A 167 75.500 60.402 65.478 1.00 0.00 ATOM 1285 CB LYS A 167 74.414 59.560 64.806 1.00 0.00 ATOM 1286 CG LYS A 167 73.160 60.340 64.444 1.00 0.00 ATOM 1287 CD LYS A 167 72.124 59.444 63.785 1.00 0.00 ATOM 1288 CE LYS A 167 70.880 60.230 63.401 1.00 0.00 ATOM 1289 NZ LYS A 167 69.868 59.372 62.723 1.00 0.00 ATOM 1290 O LYS A 167 76.497 59.058 67.202 1.00 0.00 ATOM 1291 C LYS A 167 76.535 59.415 66.022 1.00 0.00 ATOM 1292 N ALA A 168 77.451 59.028 65.166 1.00 0.00 ATOM 1293 CA ALA A 168 78.493 58.089 65.577 1.00 0.00 ATOM 1294 CB ALA A 168 79.362 57.717 64.385 1.00 0.00 ATOM 1295 O ALA A 168 79.701 58.109 67.647 1.00 0.00 ATOM 1296 C ALA A 168 79.385 58.731 66.637 1.00 0.00 ATOM 1297 N TRP A 169 79.781 59.976 66.413 1.00 0.00 ATOM 1298 CA TRP A 169 80.637 60.665 67.373 1.00 0.00 ATOM 1299 CB TRP A 169 81.094 62.017 66.821 1.00 0.00 ATOM 1300 CG TRP A 169 82.144 61.907 65.758 1.00 0.00 ATOM 1301 CD1 TRP A 169 81.991 62.158 64.425 1.00 0.00 ATOM 1302 CD2 TRP A 169 83.511 61.516 65.939 1.00 0.00 ATOM 1303 CE2 TRP A 169 84.127 61.553 64.672 1.00 0.00 ATOM 1304 CE3 TRP A 169 84.273 61.140 67.049 1.00 0.00 ATOM 1305 NE1 TRP A 169 83.177 61.947 63.764 1.00 0.00 ATOM 1306 CZ2 TRP A 169 85.469 61.227 64.485 1.00 0.00 ATOM 1307 CZ3 TRP A 169 85.604 60.818 66.858 1.00 0.00 ATOM 1308 CH2 TRP A 169 86.191 60.862 65.587 1.00 0.00 ATOM 1309 O TRP A 169 80.455 60.753 69.767 1.00 0.00 ATOM 1310 C TRP A 169 79.890 60.910 68.682 1.00 0.00 ATOM 1311 N TRP A 170 78.621 61.288 68.583 1.00 0.00 ATOM 1312 CA TRP A 170 77.809 61.561 69.781 1.00 0.00 ATOM 1313 CB TRP A 170 76.426 62.079 69.382 1.00 0.00 ATOM 1314 CG TRP A 170 75.544 62.396 70.551 1.00 0.00 ATOM 1315 CD1 TRP A 170 75.509 63.562 71.260 1.00 0.00 ATOM 1316 CD2 TRP A 170 74.567 61.534 71.148 1.00 0.00 ATOM 1317 CE2 TRP A 170 73.979 62.244 72.213 1.00 0.00 ATOM 1318 CE3 TRP A 170 74.131 60.231 70.886 1.00 0.00 ATOM 1319 NE1 TRP A 170 74.573 63.481 72.261 1.00 0.00 ATOM 1320 CZ2 TRP A 170 72.980 61.696 73.016 1.00 0.00 ATOM 1321 CZ3 TRP A 170 73.140 59.691 71.684 1.00 0.00 ATOM 1322 CH2 TRP A 170 72.575 60.420 72.736 1.00 0.00 ATOM 1323 O TRP A 170 77.749 60.232 71.790 1.00 0.00 ATOM 1324 C TRP A 170 77.674 60.254 70.556 1.00 0.00 ATOM 1325 N GLU A 171 77.496 59.152 69.836 1.00 0.00 ATOM 1326 CA GLU A 171 77.374 57.859 70.506 1.00 0.00 ATOM 1327 CB GLU A 171 77.210 56.705 69.626 1.00 0.00 ATOM 1328 CG GLU A 171 75.796 56.706 69.098 1.00 0.00 ATOM 1329 CD GLU A 171 75.463 55.539 68.238 1.00 0.00 ATOM 1330 OE1 GLU A 171 76.252 54.546 68.327 1.00 0.00 ATOM 1331 OE2 GLU A 171 74.369 55.606 67.527 1.00 0.00 ATOM 1332 O GLU A 171 78.636 57.060 72.380 1.00 0.00 ATOM 1333 C GLU A 171 78.674 57.544 71.247 1.00 0.00 ATOM 1334 N PHE A 172 79.812 57.823 70.597 1.00 0.00 ATOM 1335 CA PHE A 172 81.086 57.542 71.253 1.00 0.00 ATOM 1336 CB PHE A 172 82.256 57.976 70.366 1.00 0.00 ATOM 1337 CG PHE A 172 83.605 57.725 70.977 1.00 0.00 ATOM 1338 CD1 PHE A 172 84.163 56.459 70.962 1.00 0.00 ATOM 1339 CD2 PHE A 172 84.317 58.757 71.565 1.00 0.00 ATOM 1340 CE1 PHE A 172 85.405 56.229 71.523 1.00 0.00 ATOM 1341 CE2 PHE A 172 85.557 58.527 72.127 1.00 0.00 ATOM 1342 CZ PHE A 172 86.103 57.270 72.107 1.00 0.00 ATOM 1343 O PHE A 172 81.666 57.684 73.547 1.00 0.00 ATOM 1344 C PHE A 172 81.198 58.284 72.578 1.00 0.00 ATOM 1345 N TRP A 173 80.821 59.561 72.602 1.00 0.00 ATOM 1346 CA TRP A 173 80.946 60.334 73.840 1.00 0.00 ATOM 1347 CB TRP A 173 80.795 61.830 73.556 1.00 0.00 ATOM 1348 CG TRP A 173 81.938 62.412 72.784 1.00 0.00 ATOM 1349 CD1 TRP A 173 81.937 62.771 71.465 1.00 0.00 ATOM 1350 CD2 TRP A 173 83.249 62.704 73.279 1.00 0.00 ATOM 1351 CE2 TRP A 173 83.992 63.237 72.207 1.00 0.00 ATOM 1352 CE3 TRP A 173 83.869 62.566 74.525 1.00 0.00 ATOM 1353 NE1 TRP A 173 83.169 63.269 71.111 1.00 0.00 ATOM 1354 CZ2 TRP A 173 85.321 63.633 72.343 1.00 0.00 ATOM 1355 CZ3 TRP A 173 85.188 62.960 74.655 1.00 0.00 ATOM 1356 CH2 TRP A 173 85.902 63.487 73.573 1.00 0.00 ATOM 1357 O TRP A 173 80.142 60.029 76.088 1.00 0.00 ATOM 1358 C TRP A 173 79.883 59.942 74.872 1.00 0.00 ATOM 1359 N SER A 174 78.786 59.437 74.489 1.00 0.00 ATOM 1360 CA SER A 174 77.748 59.012 75.401 1.00 0.00 ATOM 1361 CB SER A 174 76.923 60.214 75.865 1.00 0.00 ATOM 1362 OG SER A 174 75.999 59.843 76.873 1.00 0.00 ATOM 1363 O SER A 174 76.041 58.315 73.812 1.00 0.00 ATOM 1364 C SER A 174 76.788 58.015 74.756 1.00 0.00 ENDMDL EXPDTA 2hr2A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2hr2A ATOM 1 N LYS 2 103.367 64.600 60.887 1.00 0.00 ATOM 2 CA LYS 2 103.859 64.464 62.290 1.00 0.00 ATOM 3 CB LYS 2 104.955 65.511 62.580 1.00 0.00 ATOM 4 CG LYS 2 105.535 65.441 63.990 1.00 0.00 ATOM 5 O LYS 2 102.650 63.484 64.114 1.00 0.00 ATOM 6 C LYS 2 102.752 64.463 63.380 1.00 0.00 ATOM 7 N PRO 3 101.919 65.533 63.486 1.00 0.00 ATOM 8 CA PRO 3 100.898 65.578 64.573 1.00 0.00 ATOM 9 CB PRO 3 100.235 66.956 64.399 1.00 0.00 ATOM 10 CG PRO 3 100.591 67.414 63.034 1.00 0.00 ATOM 11 CD PRO 3 101.884 66.758 62.658 1.00 0.00 ATOM 12 O PRO 3 99.657 63.808 65.616 1.00 0.00 ATOM 13 C PRO 3 99.826 64.480 64.592 1.00 0.00 ATOM 14 N LEU 4 99.096 64.312 63.494 1.00 0.00 ATOM 15 CA LEU 4 98.068 63.263 63.425 1.00 0.00 ATOM 16 CB LEU 4 97.196 63.405 62.182 1.00 0.00 ATOM 17 CG LEU 4 95.882 64.149 62.381 1.00 0.00 ATOM 18 CD1 LEU 4 96.092 65.496 63.064 1.00 0.00 ATOM 19 CD2 LEU 4 95.204 64.301 61.033 1.00 0.00 ATOM 20 O LEU 4 97.874 60.932 63.877 1.00 0.00 ATOM 21 C LEU 4 98.602 61.841 63.485 1.00 0.00 ATOM 22 N LYS 5 99.851 61.640 63.081 1.00 0.00 ATOM 23 CA LYS 5 100.468 60.319 63.135 1.00 0.00 ATOM 24 CB LYS 5 101.905 60.400 62.623 1.00 0.00 ATOM 25 CG LYS 5 102.496 59.102 62.112 1.00 0.00 ATOM 26 CD LYS 5 103.968 59.321 61.722 1.00 0.00 ATOM 27 CE LYS 5 104.585 58.126 61.006 1.00 0.00 ATOM 28 NZ LYS 5 104.625 56.918 61.865 1.00 0.00 ATOM 29 O LYS 5 100.223 58.634 64.841 1.00 0.00 ATOM 30 C LYS 5 100.461 59.815 64.586 1.00 0.00 ATOM 31 N GLU 6 100.706 60.732 65.521 1.00 0.00 ATOM 32 CA GLU 6 100.757 60.427 66.944 1.00 0.00 ATOM 33 CB GLU 6 101.514 61.555 67.657 1.00 0.00 ATOM 34 CG GLU 6 102.970 61.744 67.145 1.00 0.00 ATOM 35 CD GLU 6 103.479 63.185 67.255 1.00 0.00 ATOM 36 OE1 GLU 6 102.912 63.977 68.035 1.00 0.00 ATOM 37 OE2 GLU 6 104.449 63.537 66.543 1.00 0.00 ATOM 38 O GLU 6 99.182 59.395 68.424 1.00 0.00 ATOM 39 C GLU 6 99.365 60.235 67.545 1.00 0.00 ATOM 40 N VAL 7 98.390 61.013 67.081 1.00 0.00 ATOM 41 CA VAL 7 97.006 60.883 67.549 1.00 0.00 ATOM 42 CB VAL 7 96.086 61.962 66.936 1.00 0.00 ATOM 43 CG1 VAL 7 94.618 61.672 67.238 1.00 0.00 ATOM 44 CG2 VAL 7 96.466 63.346 67.441 1.00 0.00 ATOM 45 O VAL 7 95.903 58.814 68.020 1.00 0.00 ATOM 46 C VAL 7 96.460 59.512 67.176 1.00 0.00 ATOM 47 N VAL 8 96.626 59.135 65.912 1.00 0.00 ATOM 48 CA VAL 8 96.150 57.839 65.432 1.00 0.00 ATOM 49 CB VAL 8 96.180 57.747 63.893 1.00 0.00 ATOM 50 CG1 VAL 8 95.804 56.349 63.421 1.00 0.00 ATOM 51 CG2 VAL 8 95.234 58.768 63.288 1.00 0.00 ATOM 52 O VAL 8 96.395 55.683 66.438 1.00 0.00 ATOM 53 C VAL 8 96.959 56.705 66.062 1.00 0.00 ATOM 54 N GLY 9 98.270 56.889 66.191 1.00 0.00 ATOM 55 CA GLY 9 99.130 55.883 66.809 1.00 0.00 ATOM 56 O GLY 9 98.633 54.358 68.587 1.00 0.00 ATOM 57 C GLY 9 98.690 55.534 68.221 1.00 0.00 ATOM 58 N ALA 10 98.367 56.562 69.003 1.00 0.00 ATOM 59 CA ALA 10 97.919 56.390 70.384 1.00 0.00 ATOM 60 CB ALA 10 97.894 57.732 71.105 1.00 0.00 ATOM 61 O ALA 10 96.336 54.828 71.252 1.00 0.00 ATOM 62 C ALA 10 96.548 55.727 70.445 1.00 0.00 ATOM 63 N TYR 11 95.621 56.181 69.604 1.00 0.00 ATOM 64 CA TYR 11 94.281 55.582 69.537 1.00 0.00 ATOM 65 CB TYR 11 93.351 56.349 68.581 1.00 0.00 ATOM 66 CG TYR 11 92.450 57.353 69.270 1.00 0.00 ATOM 67 CD1 TYR 11 92.955 58.523 69.821 1.00 0.00 ATOM 68 CD2 TYR 11 91.080 57.127 69.359 1.00 0.00 ATOM 69 CE1 TYR 11 92.120 59.440 70.453 1.00 0.00 ATOM 70 CE2 TYR 11 90.240 58.032 69.986 1.00 0.00 ATOM 71 CZ TYR 11 90.763 59.187 70.530 1.00 0.00 ATOM 72 OH TYR 11 89.918 60.080 71.149 1.00 0.00 ATOM 73 O TYR 11 93.637 53.298 69.791 1.00 0.00 ATOM 74 C TYR 11 94.323 54.099 69.169 1.00 0.00 ATOM 75 N LEU 12 95.133 53.734 68.178 1.00 0.00 ATOM 76 CA LEU 12 95.239 52.333 67.768 1.00 0.00 ATOM 77 CB LEU 12 95.966 52.200 66.431 1.00 0.00 ATOM 78 CG LEU 12 95.235 52.806 65.230 1.00 0.00 ATOM 79 CD1 LEU 12 96.097 52.736 63.975 1.00 0.00 ATOM 80 CD2 LEU 12 93.905 52.120 64.994 1.00 0.00 ATOM 81 O LEU 12 95.555 50.305 69.000 1.00 0.00 ATOM 82 C LEU 12 95.910 51.471 68.837 1.00 0.00 ATOM 83 N ALA 13 96.875 52.039 69.557 1.00 0.00 ATOM 84 CA ALA 13 97.535 51.318 70.635 1.00 0.00 ATOM 85 CB ALA 13 98.694 52.129 71.195 1.00 0.00 ATOM 86 O ALA 13 96.513 49.877 72.252 1.00 0.00 ATOM 87 C ALA 13 96.524 50.995 71.735 1.00 0.00 ATOM 88 N LEU 14 95.674 51.968 72.077 1.00 0.00 ATOM 89 CA LEU 14 94.656 51.768 73.108 1.00 0.00 ATOM 90 CB LEU 14 94.028 53.090 73.553 1.00 0.00 ATOM 91 CG LEU 14 93.051 53.001 74.738 1.00 0.00 ATOM 92 CD1 LEU 14 93.742 52.489 75.991 1.00 0.00 ATOM 93 CD2 LEU 14 92.423 54.355 75.015 1.00 0.00 ATOM 94 O LEU 14 93.124 49.973 73.437 1.00 0.00 ATOM 95 C LEU 14 93.575 50.793 72.642 1.00 0.00 ATOM 96 N SER 15 93.145 50.878 71.382 1.00 0.00 ATOM 97 CA SER 15 92.145 49.943 70.870 1.00 0.00 ATOM 98 CB SER 15 91.719 50.296 69.445 1.00 0.00 ATOM 99 OG SER 15 90.960 51.492 69.423 1.00 0.00 ATOM 100 O SER 15 91.953 47.605 71.293 1.00 0.00 ATOM 101 C SER 15 92.679 48.516 70.922 1.00 0.00 ATOM 102 N ASP 16 93.948 48.331 70.548 1.00 0.00 ATOM 103 CA ASP 16 94.583 47.012 70.604 1.00 0.00 ATOM 104 CB ASP 16 96.032 47.048 70.080 1.00 0.00 ATOM 105 CG ASP 16 96.121 47.206 68.557 1.00 0.00 ATOM 106 OD1 ASP 16 95.067 47.161 67.895 1.00 0.00 ATOM 107 OD2 ASP 16 97.248 47.369 68.024 1.00 0.00 ATOM 108 O ASP 16 94.223 45.328 72.280 1.00 0.00 ATOM 109 C ASP 16 94.568 46.489 72.040 1.00 0.00 ATOM 110 N ALA 17 94.930 47.351 72.986 1.00 0.00 ATOM 111 CA ALA 17 94.941 46.988 74.403 1.00 0.00 ATOM 112 CB ALA 17 95.430 48.148 75.245 1.00 0.00 ATOM 113 O ALA 17 93.442 45.559 75.588 1.00 0.00 ATOM 114 C ALA 17 93.565 46.549 74.878 1.00 0.00 ATOM 115 N GLN 18 92.534 47.280 74.473 1.00 0.00 ATOM 116 CA GLN 18 91.159 46.956 74.858 1.00 0.00 ATOM 117 CB GLN 18 90.213 48.077 74.447 1.00 0.00 ATOM 118 CG GLN 18 90.425 49.339 75.283 1.00 0.00 ATOM 119 CD GLN 18 89.774 50.568 74.687 1.00 0.00 ATOM 120 OE1 GLN 18 89.208 50.524 73.593 1.00 0.00 ATOM 121 NE2 GLN 18 89.870 51.685 75.398 1.00 0.00 ATOM 122 O GLN 18 90.001 44.873 75.060 1.00 0.00 ATOM 123 C GLN 18 90.698 45.592 74.338 1.00 0.00 ATOM 124 N ARG 19 91.074 45.232 73.111 1.00 0.00 ATOM 125 CA ARG 19 90.731 43.915 72.569 1.00 0.00 ATOM 126 CB ARG 19 91.018 43.814 71.064 1.00 0.00 ATOM 127 CG ARG 19 90.213 44.782 70.212 1.00 0.00 ATOM 128 CD ARG 19 90.110 44.326 68.759 1.00 0.00 ATOM 129 NE ARG 19 91.406 44.027 68.151 1.00 0.00 ATOM 130 CZ ARG 19 92.262 44.933 67.682 1.00 0.00 ATOM 131 NH1 ARG 19 92.008 46.239 67.762 1.00 0.00 ATOM 132 NH2 ARG 19 93.399 44.524 67.149 1.00 0.00 ATOM 133 O ARG 19 90.973 41.744 73.574 1.00 0.00 ATOM 134 C ARG 19 91.501 42.829 73.319 1.00 0.00 ATOM 135 N GLN 20 92.745 43.134 73.672 1.00 0.00 ATOM 136 CA GLN 20 93.593 42.200 74.404 1.00 0.00 ATOM 137 CB GLN 20 95.037 42.703 74.405 1.00 0.00 ATOM 138 CG GLN 20 95.674 42.576 73.032 1.00 0.00 ATOM 139 CD GLN 20 96.976 43.347 72.863 1.00 0.00 ATOM 140 OE1 GLN 20 97.219 44.367 73.516 1.00 0.00 ATOM 141 NE2 GLN 20 97.813 42.865 71.950 1.00 0.00 ATOM 142 O GLN 20 93.186 40.816 76.317 1.00 0.00 ATOM 143 C GLN 20 93.070 41.931 75.825 1.00 0.00 ATOM 144 N LEU 21 92.498 42.943 76.478 1.00 0.00 ATOM 145 CA LEU 21 91.907 42.756 77.807 1.00 0.00 ATOM 146 CB LEU 21 91.384 44.066 78.396 1.00 0.00 ATOM 147 CG LEU 21 92.401 45.117 78.856 1.00 0.00 ATOM 148 CD1 LEU 21 91.710 46.445 79.170 1.00 0.00 ATOM 149 CD2 LEU 21 93.203 44.625 80.060 1.00 0.00 ATOM 150 O LEU 21 90.663 40.850 78.529 1.00 0.00 ATOM 151 C LEU 21 90.760 41.760 77.715 1.00 0.00 ATOM 152 N VAL 22 89.897 41.933 76.719 1.00 0.00 ATOM 153 CA VAL 22 88.776 41.018 76.496 1.00 0.00 ATOM 154 CB VAL 22 87.905 41.482 75.285 1.00 0.00 ATOM 155 CG1 VAL 22 86.968 40.376 74.784 1.00 0.00 ATOM 156 CG2 VAL 22 87.123 42.738 75.652 1.00 0.00 ATOM 157 O VAL 22 88.665 38.636 76.735 1.00 0.00 ATOM 158 C VAL 22 89.268 39.590 76.258 1.00 0.00 ATOM 159 N ALA 23 90.371 39.455 75.526 1.00 0.00 ATOM 160 CA ALA 23 90.950 38.148 75.207 1.00 0.00 ATOM 161 CB ALA 23 91.804 38.260 73.949 1.00 0.00 ATOM 162 O ALA 23 92.224 36.401 76.213 1.00 0.00 ATOM 163 C ALA 23 91.786 37.534 76.331 1.00 0.00 ATOM 164 N GLY 24 92.024 38.277 77.404 1.00 0.00 ATOM 165 CA GLY 24 92.819 37.784 78.516 1.00 0.00 ATOM 166 O GLY 24 95.086 37.239 79.046 1.00 0.00 ATOM 167 C GLY 24 94.324 37.856 78.303 1.00 0.00 ATOM 168 N GLU 25 94.758 38.603 77.290 1.00 0.00 ATOM 169 CA GLU 25 96.177 38.801 77.022 1.00 0.00 ATOM 170 CB GLU 25 96.419 39.032 75.531 1.00 0.00 ATOM 171 CG GLU 25 96.027 37.878 74.646 1.00 0.00 ATOM 172 CD GLU 25 96.385 38.108 73.186 1.00 0.00 ATOM 173 OE1 GLU 25 97.256 38.959 72.893 1.00 0.00 ATOM 174 OE2 GLU 25 95.809 37.415 72.325 1.00 0.00 ATOM 175 O GLU 25 96.903 41.081 77.239 1.00 0.00 ATOM 176 C GLU 25 96.627 40.024 77.812 1.00 0.00 ATOM 177 N TYR 26 96.711 39.868 79.129 1.00 0.00 ATOM 178 CA TYR 26 97.012 40.989 80.018 1.00 0.00 ATOM 179 CB TYR 26 96.725 40.611 81.472 1.00 0.00 ATOM 180 CG TYR 26 95.298 40.171 81.706 1.00 0.00 ATOM 181 CD1 TYR 26 94.232 40.984 81.334 1.00 0.00 ATOM 182 CD2 TYR 26 95.012 38.962 82.329 1.00 0.00 ATOM 183 CE1 TYR 26 92.917 40.596 81.542 1.00 0.00 ATOM 184 CE2 TYR 26 93.696 38.566 82.553 1.00 0.00 ATOM 185 CZ TYR 26 92.652 39.390 82.155 1.00 0.00 ATOM 186 OH TYR 26 91.347 39.020 82.370 1.00 0.00 ATOM 187 O TYR 26 98.602 42.776 80.013 1.00 0.00 ATOM 188 C TYR 26 98.421 41.565 79.882 1.00 0.00 ATOM 189 N ASP 27 99.410 40.711 79.631 1.00 0.00 ATOM 190 CA ASP 27 100.789 41.163 79.426 1.00 0.00 ATOM 191 CB ASP 27 101.729 39.985 79.116 1.00 0.00 ATOM 192 CG ASP 27 101.986 39.081 80.321 1.00 0.00 ATOM 193 OD1 ASP 27 102.264 39.598 81.421 1.00 0.00 ATOM 194 OD2 ASP 27 101.955 37.842 80.160 1.00 0.00 ATOM 195 O ASP 27 101.466 43.209 78.358 1.00 0.00 ATOM 196 C ASP 27 100.864 42.141 78.253 1.00 0.00 ATOM 197 N GLU 28 100.236 41.771 77.140 1.00 0.00 ATOM 198 CA GLU 28 100.240 42.604 75.931 1.00 0.00 ATOM 199 CB GLU 28 99.713 41.853 74.697 1.00 0.00 ATOM 200 CG GLU 28 100.606 40.722 74.172 1.00 0.00 ATOM 201 CD GLU 28 100.612 39.477 75.067 1.00 0.00 ATOM 202 OE1 GLU 28 99.882 39.464 76.088 1.00 0.00 ATOM 203 OE2 GLU 28 101.349 38.512 74.749 1.00 0.00 ATOM 204 O GLU 28 99.800 44.939 75.681 1.00 0.00 ATOM 205 C GLU 28 99.416 43.866 76.132 1.00 0.00 ATOM 206 N ALA 29 98.281 43.724 76.807 1.00 0.00 ATOM 207 CA ALA 29 97.397 44.847 77.074 1.00 0.00 ATOM 208 CB ALA 29 96.133 44.362 77.776 1.00 0.00 ATOM 209 O ALA 29 97.952 47.113 77.638 1.00 0.00 ATOM 210 C ALA 29 98.085 45.919 77.913 1.00 0.00 ATOM 211 N ALA 30 98.813 45.491 78.938 1.00 0.00 ATOM 212 CA ALA 30 99.528 46.421 79.801 1.00 0.00 ATOM 213 CB ALA 30 100.182 45.689 80.949 1.00 0.00 ATOM 214 O ALA 30 100.678 48.397 79.114 1.00 0.00 ATOM 215 C ALA 30 100.570 47.182 78.996 1.00 0.00 ATOM 216 N ALA 31 101.322 46.462 78.167 1.00 0.00 ATOM 217 CA ALA 31 102.346 47.072 77.324 1.00 0.00 ATOM 218 CB ALA 31 103.102 45.999 76.555 1.00 0.00 ATOM 219 O ALA 31 102.301 49.190 76.194 1.00 0.00 ATOM 220 C ALA 31 101.750 48.100 76.358 1.00 0.00 ATOM 221 N ASN 32 100.631 47.755 75.725 1.00 0.00 ATOM 222 CA ASN 32 99.965 48.678 74.795 1.00 0.00 ATOM 223 CB ASN 32 98.901 47.964 73.958 1.00 0.00 ATOM 224 CG ASN 32 99.486 47.208 72.786 1.00 0.00 ATOM 225 ND2 ASN 32 98.837 46.122 72.405 1.00 0.00 ATOM 226 OD1 ASN 32 100.487 47.613 72.210 1.00 0.00 ATOM 227 O ASN 32 99.307 50.973 74.831 1.00 0.00 ATOM 228 C ASN 32 99.360 49.917 75.458 1.00 0.00 ATOM 229 N CYS 33 98.889 49.792 76.698 1.00 0.00 ATOM 230 CA CYS 33 98.380 50.951 77.436 1.00 0.00 ATOM 231 CB CYS 33 97.737 50.537 78.752 1.00 0.00 ATOM 232 SG CYS 33 96.202 49.646 78.559 1.00 0.00 ATOM 233 O CYS 33 99.327 53.138 77.577 1.00 0.00 ATOM 234 C CYS 33 99.500 51.932 77.737 1.00 0.00 ATOM 235 N ARG 34 100.638 51.416 78.192 1.00 0.00 ATOM 236 CA ARG 34 101.791 52.257 78.472 1.00 0.00 ATOM 237 CB ARG 34 102.924 51.461 79.111 1.00 0.00 ATOM 238 CG ARG 34 102.611 50.776 80.435 1.00 0.00 ATOM 239 CD ARG 34 103.876 50.100 80.949 1.00 0.00 ATOM 240 NE ARG 34 103.641 48.912 81.773 1.00 0.00 ATOM 241 CZ ARG 34 103.366 48.900 83.076 1.00 0.00 ATOM 242 NH1 ARG 34 103.228 50.026 83.769 1.00 0.00 ATOM 243 NH2 ARG 34 103.203 47.735 83.694 1.00 0.00 ATOM 244 O ARG 34 102.646 54.063 77.142 1.00 0.00 ATOM 245 C ARG 34 102.290 52.883 77.172 1.00 0.00 ATOM 246 N ARG 35 102.306 52.093 76.099 1.00 0.00 ATOM 247 CA ARG 35 102.758 52.581 74.798 1.00 0.00 ATOM 248 CB ARG 35 102.846 51.440 73.782 1.00 0.00 ATOM 249 CG ARG 35 103.488 51.860 72.461 1.00 0.00 ATOM 250 CD ARG 35 103.865 50.669 71.582 1.00 0.00 ATOM 251 NE ARG 35 102.708 49.933 71.076 1.00 0.00 ATOM 252 CZ ARG 35 101.950 50.308 70.046 1.00 0.00 ATOM 253 NH1 ARG 35 102.182 51.439 69.393 1.00 0.00 ATOM 254 NH2 ARG 35 100.925 49.553 69.672 1.00 0.00 ATOM 255 O ARG 35 102.320 54.670 73.710 1.00 0.00 ATOM 256 C ARG 35 101.844 53.693 74.280 1.00 0.00 ATOM 257 N ALA 36 100.540 53.543 74.494 1.00 0.00 ATOM 258 CA ALA 36 99.568 54.547 74.067 1.00 0.00 ATOM 259 CB ALA 36 98.151 54.076 74.343 1.00 0.00 ATOM 260 O ALA 36 99.723 56.938 74.097 1.00 0.00 ATOM 261 C ALA 36 99.820 55.895 74.743 1.00 0.00 ATOM 262 N MET 37 100.138 55.874 76.037 1.00 0.00 ATOM 263 CA MET 37 100.448 57.105 76.767 1.00 0.00 ATOM 264 CB MET 37 100.465 56.865 78.273 1.00 0.00 ATOM 265 CG MET 37 99.079 56.677 78.853 1.00 0.00 ATOM 266 SD MET 37 99.048 56.365 80.803 1.00 0.00 ATOM 267 CE MET 37 99.733 54.440 80.858 1.00 0.00 ATOM 268 O MET 37 101.892 58.919 76.200 1.00 0.00 ATOM 269 C MET 37 101.777 57.702 76.340 1.00 0.00 ATOM 270 N GLU 38 102.779 56.848 76.146 1.00 0.00 ATOM 271 CA GLU 38 104.091 57.297 75.700 1.00 0.00 ATOM 272 CB GLU 38 105.014 56.092 75.522 1.00 0.00 ATOM 273 CG GLU 38 106.473 56.429 75.215 1.00 0.00 ATOM 274 CD GLU 38 107.389 55.206 75.286 1.00 0.00 ATOM 275 OE1 GLU 38 106.889 54.087 75.558 1.00 0.00 ATOM 276 OE2 GLU 38 108.614 55.368 75.078 1.00 0.00 ATOM 277 O GLU 38 104.579 59.140 74.244 1.00 0.00 ATOM 278 C GLU 38 103.961 58.085 74.397 1.00 0.00 ATOM 279 N ILE 39 103.137 57.582 73.480 1.00 0.00 ATOM 280 CA ILE 39 102.893 58.241 72.200 1.00 0.00 ATOM 281 CB ILE 39 102.121 57.315 71.221 1.00 0.00 ATOM 282 CG1 ILE 39 102.986 56.119 70.822 1.00 0.00 ATOM 283 CG2 ILE 39 101.713 58.078 69.957 1.00 0.00 ATOM 284 CD1 ILE 39 102.241 55.023 70.089 1.00 0.00 ATOM 285 O ILE 39 102.445 60.552 71.770 1.00 0.00 ATOM 286 C ILE 39 102.111 59.539 72.379 1.00 0.00 ATOM 287 N SER 40 101.070 59.505 73.205 1.00 0.00 ATOM 288 CA SER 40 100.241 60.690 73.427 1.00 0.00 ATOM 289 CB SER 40 99.049 60.392 74.339 1.00 0.00 ATOM 290 OG SER 40 99.456 60.256 75.688 1.00 0.00 ATOM 291 O SER 40 100.751 63.013 73.705 1.00 0.00 ATOM 292 C SER 40 101.037 61.856 74.010 1.00 0.00 ATOM 293 N HIS 41 102.038 61.552 74.834 1.00 0.00 ATOM 294 CA HIS 41 102.870 62.597 75.438 1.00 0.00 ATOM 295 CB HIS 41 103.358 62.166 76.824 1.00 0.00 ATOM 296 CG HIS 41 102.248 62.007 77.814 1.00 0.00 ATOM 297 CD2 HIS 41 101.368 62.907 78.312 1.00 0.00 ATOM 298 ND1 HIS 41 101.903 60.791 78.363 1.00 0.00 ATOM 299 CE1 HIS 41 100.878 60.953 79.180 1.00 0.00 ATOM 300 NE2 HIS 41 100.531 62.227 79.164 1.00 0.00 ATOM 301 O HIS 41 104.816 63.920 75.017 1.00 0.00 ATOM 302 C HIS 41 104.029 63.098 74.562 1.00 0.00 ATOM 303 N THR 42 104.132 62.616 73.322 1.00 0.00 ATOM 304 CA THR 42 105.150 63.105 72.384 1.00 0.00 ATOM 305 CB THR 42 105.704 61.991 71.451 1.00 0.00 ATOM 306 CG2 THR 42 106.221 60.800 72.245 1.00 0.00 ATOM 307 OG1 THR 42 104.688 61.568 70.531 1.00 0.00 ATOM 308 O THR 42 105.285 64.722 70.618 1.00 0.00 ATOM 309 C THR 42 104.577 64.194 71.478 1.00 0.00 ATOM 310 N MET 43 103.297 64.518 71.655 1.00 0.00 ATOM 311 CA MET 43 102.649 65.551 70.858 1.00 0.00 ATOM 312 CB MET 43 101.125 65.459 70.996 1.00 0.00 ATOM 313 CG MET 43 100.452 64.413 70.147 1.00 0.00 ATOM 314 SD MET 43 98.523 64.357 70.502 1.00 0.00 ATOM 315 CE MET 43 98.358 62.727 71.387 1.00 0.00 ATOM 316 O MET 43 103.364 67.096 72.522 1.00 0.00 ATOM 317 C MET 43 103.061 66.927 71.340 1.00 0.00 ATOM 318 N PRO 44 103.056 67.922 70.435 1.00 0.00 ATOM 319 CA PRO 44 103.347 69.276 70.897 1.00 0.00 ATOM 320 CB PRO 44 103.475 70.075 69.596 1.00 0.00 ATOM 321 CG PRO 44 102.672 69.311 68.594 1.00 0.00 ATOM 322 CD PRO 44 102.774 67.869 68.986 1.00 0.00 ATOM 323 O PRO 44 101.037 69.279 71.519 1.00 0.00 ATOM 324 C PRO 44 102.155 69.760 71.730 1.00 0.00 ATOM 325 N PRO 45 102.380 70.692 72.672 1.00 0.00 ATOM 326 CA PRO 45 101.266 71.161 73.506 1.00 0.00 ATOM 327 CB PRO 45 101.946 72.110 74.502 1.00 0.00 ATOM 328 CG PRO 45 103.192 72.561 73.810 1.00 0.00 ATOM 329 CD PRO 45 103.643 71.377 73.003 1.00 0.00 ATOM 330 O PRO 45 98.999 71.842 73.123 1.00 0.00 ATOM 331 C PRO 45 100.166 71.898 72.728 1.00 0.00 ATOM 332 N GLU 46 100.532 72.555 71.625 1.00 0.00 ATOM 333 CA GLU 46 99.575 73.308 70.805 1.00 0.00 ATOM 334 CB GLU 46 100.318 74.328 69.927 1.00 0.00 ATOM 335 O GLU 46 97.809 73.023 69.207 1.00 0.00 ATOM 336 C GLU 46 98.631 72.457 69.925 1.00 0.00 ATOM 337 N GLU 47 98.739 71.128 69.962 1.00 0.00 ATOM 338 CA GLU 47 97.851 70.266 69.175 1.00 0.00 ATOM 339 CB GLU 47 98.613 69.055 68.625 1.00 0.00 ATOM 340 CG GLU 47 97.820 68.207 67.634 1.00 0.00 ATOM 341 O GLU 47 96.876 69.274 71.138 1.00 0.00 ATOM 342 C GLU 47 96.674 69.827 70.053 1.00 0.00 ATOM 343 N ALA 48 95.453 70.078 69.578 1.00 0.00 ATOM 344 CA ALA 48 94.230 69.762 70.325 1.00 0.00 ATOM 345 CB ALA 48 93.009 70.308 69.599 1.00 0.00 ATOM 346 O ALA 48 94.033 67.477 69.617 1.00 0.00 ATOM 347 C ALA 48 94.076 68.266 70.563 1.00 0.00 ATOM 348 N PHE 49 93.992 67.889 71.836 1.00 0.00 ATOM 349 CA PHE 49 93.872 66.493 72.240 1.00 0.00 ATOM 350 CB PHE 49 95.211 65.793 72.028 1.00 0.00 ATOM 351 CG PHE 49 95.179 64.332 72.287 1.00 0.00 ATOM 352 CD1 PHE 49 94.746 63.463 71.309 1.00 0.00 ATOM 353 CD2 PHE 49 95.611 63.817 73.497 1.00 0.00 ATOM 354 CE1 PHE 49 94.723 62.110 71.535 1.00 0.00 ATOM 355 CE2 PHE 49 95.594 62.464 73.732 1.00 0.00 ATOM 356 CZ PHE 49 95.151 61.605 72.748 1.00 0.00 ATOM 357 O PHE 49 93.985 67.276 74.501 1.00 0.00 ATOM 358 C PHE 49 93.486 66.467 73.718 1.00 0.00 ATOM 359 N ASP 50 92.597 65.554 74.100 1.00 0.00 ATOM 360 CA ASP 50 92.163 65.444 75.493 1.00 0.00 ATOM 361 CB ASP 50 90.721 64.920 75.553 1.00 0.00 ATOM 362 CG ASP 50 90.164 64.863 76.971 1.00 0.00 ATOM 363 OD1 ASP 50 90.778 65.425 77.903 1.00 0.00 ATOM 364 OD2 ASP 50 89.094 64.254 77.154 1.00 0.00 ATOM 365 O ASP 50 92.831 63.353 76.467 1.00 0.00 ATOM 366 C ASP 50 93.119 64.529 76.266 1.00 0.00 ATOM 367 N HIS 51 94.251 65.082 76.702 1.00 0.00 ATOM 368 CA HIS 51 95.258 64.312 77.444 1.00 0.00 ATOM 369 CB HIS 51 96.519 65.144 77.710 1.00 0.00 ATOM 370 CG HIS 51 97.385 65.338 76.506 1.00 0.00 ATOM 371 CD2 HIS 51 98.391 64.584 76.003 1.00 0.00 ATOM 372 ND1 HIS 51 97.266 66.426 75.667 1.00 0.00 ATOM 373 CE1 HIS 51 98.159 66.333 74.699 1.00 0.00 ATOM 374 NE2 HIS 51 98.854 65.224 74.879 1.00 0.00 ATOM 375 O HIS 51 95.046 62.612 79.106 1.00 0.00 ATOM 376 C HIS 51 94.754 63.757 78.769 1.00 0.00 ATOM 377 N ALA 52 94.015 64.565 79.520 1.00 0.00 ATOM 378 CA ALA 52 93.492 64.142 80.815 1.00 0.00 ATOM 379 CB ALA 52 92.745 65.285 81.474 1.00 0.00 ATOM 380 O ALA 52 92.760 61.920 81.390 1.00 0.00 ATOM 381 C ALA 52 92.587 62.916 80.680 1.00 0.00 ATOM 382 N GLY 53 91.633 63.000 79.755 1.00 0.00 ATOM 383 CA GLY 53 90.705 61.906 79.493 1.00 0.00 ATOM 384 O GLY 53 91.116 59.568 79.317 1.00 0.00 ATOM 385 C GLY 53 91.379 60.687 78.896 1.00 0.00 ATOM 386 N PHE 54 92.255 60.905 77.922 1.00 0.00 ATOM 387 CA PHE 54 92.955 59.808 77.278 1.00 0.00 ATOM 388 CB PHE 54 93.782 60.312 76.102 1.00 0.00 ATOM 389 CG PHE 54 94.403 59.216 75.294 1.00 0.00 ATOM 390 CD1 PHE 54 93.652 58.524 74.359 1.00 0.00 ATOM 391 CD2 PHE 54 95.734 58.873 75.466 1.00 0.00 ATOM 392 CE1 PHE 54 94.213 57.513 73.611 1.00 0.00 ATOM 393 CE2 PHE 54 96.307 57.860 74.717 1.00 0.00 ATOM 394 CZ PHE 54 95.545 57.179 73.790 1.00 0.00 ATOM 395 O PHE 54 93.849 57.819 78.266 1.00 0.00 ATOM 396 C PHE 54 93.840 59.050 78.266 1.00 0.00 ATOM 397 N ASP 55 94.581 59.776 79.099 1.00 0.00 ATOM 398 CA ASP 55 95.425 59.141 80.116 1.00 0.00 ATOM 399 CB ASP 55 96.319 60.171 80.829 1.00 0.00 ATOM 400 CG ASP 55 97.435 60.717 79.931 1.00 0.00 ATOM 401 OD1 ASP 55 97.839 60.034 78.968 1.00 0.00 ATOM 402 OD2 ASP 55 97.924 61.834 80.199 1.00 0.00 ATOM 403 O ASP 55 94.985 57.276 81.585 1.00 0.00 ATOM 404 C ASP 55 94.576 58.351 81.127 1.00 0.00 ATOM 405 N ALA 56 93.394 58.870 81.455 1.00 0.00 ATOM 406 CA ALA 56 92.486 58.176 82.366 1.00 0.00 ATOM 407 CB ALA 56 91.275 59.042 82.666 1.00 0.00 ATOM 408 O ALA 56 91.990 55.833 82.501 1.00 0.00 ATOM 409 C ALA 56 92.039 56.835 81.791 1.00 0.00 ATOM 410 N PHE 57 91.721 56.826 80.502 1.00 0.00 ATOM 411 CA PHE 57 91.278 55.620 79.815 1.00 0.00 ATOM 412 CB PHE 57 90.850 55.962 78.386 1.00 0.00 ATOM 413 CG PHE 57 89.521 56.684 78.278 1.00 0.00 ATOM 414 CD1 PHE 57 89.027 57.503 79.297 1.00 0.00 ATOM 415 CD2 PHE 57 88.800 56.606 77.092 1.00 0.00 ATOM 416 CE1 PHE 57 87.823 58.174 79.153 1.00 0.00 ATOM 417 CE2 PHE 57 87.596 57.277 76.941 1.00 0.00 ATOM 418 CZ PHE 57 87.107 58.063 77.974 1.00 0.00 ATOM 419 O PHE 57 92.184 53.412 80.041 1.00 0.00 ATOM 420 C PHE 57 92.412 54.596 79.799 1.00 0.00 ATOM 421 N CYS 58 93.631 55.059 79.526 1.00 0.00 ATOM 422 CA CYS 58 94.804 54.188 79.511 1.00 0.00 ATOM 423 CB CYS 58 96.045 54.950 79.031 1.00 0.00 ATOM 424 SG CYS 58 95.981 55.502 77.317 1.00 0.00 ATOM 425 O CYS 58 95.374 52.395 81.003 1.00 0.00 ATOM 426 C CYS 58 95.077 53.591 80.891 1.00 0.00 ATOM 427 N HIS 59 94.989 54.422 81.930 1.00 0.00 ATOM 428 CA HIS 59 95.195 53.955 83.308 1.00 0.00 ATOM 429 CB HIS 59 95.253 55.123 84.297 1.00 0.00 ATOM 430 CG HIS 59 96.562 55.848 84.310 1.00 0.00 ATOM 431 CD2 HIS 59 97.791 55.458 84.722 1.00 0.00 ATOM 432 ND1 HIS 59 96.702 57.144 83.862 1.00 0.00 ATOM 433 CE1 HIS 59 97.959 57.523 84.006 1.00 0.00 ATOM 434 NE2 HIS 59 98.641 56.518 84.524 1.00 0.00 ATOM 435 O HIS 59 94.432 52.033 84.536 1.00 0.00 ATOM 436 C HIS 59 94.129 52.950 83.768 1.00 0.00 ATOM 437 N ALA 60 92.888 53.132 83.323 1.00 0.00 ATOM 438 CA ALA 60 91.817 52.202 83.660 1.00 0.00 ATOM 439 CB ALA 60 90.487 52.710 83.135 1.00 0.00 ATOM 440 O ALA 60 92.076 49.817 83.730 1.00 0.00 ATOM 441 C ALA 60 92.131 50.845 83.050 1.00 0.00 ATOM 442 N GLY 61 92.463 50.855 81.761 1.00 0.00 ATOM 443 CA GLY 61 92.828 49.639 81.046 1.00 0.00 ATOM 444 O GLY 61 94.085 47.760 81.823 1.00 0.00 ATOM 445 C GLY 61 94.051 48.979 81.659 1.00 0.00 ATOM 446 N LEU 62 95.050 49.785 82.004 1.00 0.00 ATOM 447 CA LEU 62 96.280 49.274 82.604 1.00 0.00 ATOM 448 CB LEU 62 97.317 50.395 82.756 1.00 0.00 ATOM 449 CG LEU 62 98.674 50.057 83.395 1.00 0.00 ATOM 450 CD1 LEU 62 99.369 48.895 82.699 1.00 0.00 ATOM 451 CD2 LEU 62 99.571 51.276 83.384 1.00 0.00 ATOM 452 O LEU 62 96.553 47.564 84.255 1.00 0.00 ATOM 453 C LEU 62 95.999 48.617 83.953 1.00 0.00 ATOM 454 N ALA 63 95.135 49.238 84.748 1.00 0.00 ATOM 455 CA ALA 63 94.769 48.704 86.061 1.00 0.00 ATOM 456 CB ALA 63 93.863 49.680 86.799 1.00 0.00 ATOM 457 O ALA 63 94.360 46.436 86.710 1.00 0.00 ATOM 458 C ALA 63 94.086 47.347 85.931 1.00 0.00 ATOM 459 N GLU 64 93.198 47.218 84.949 1.00 0.00 ATOM 460 CA GLU 64 92.511 45.949 84.701 1.00 0.00 ATOM 461 CB GLU 64 91.456 46.099 83.594 1.00 0.00 ATOM 462 CG GLU 64 90.755 44.784 83.222 1.00 0.00 ATOM 463 CD GLU 64 89.681 44.928 82.134 1.00 0.00 ATOM 464 OE1 GLU 64 89.269 46.074 81.808 1.00 0.00 ATOM 465 OE2 GLU 64 89.247 43.872 81.612 1.00 0.00 ATOM 466 O GLU 64 93.395 43.723 84.782 1.00 0.00 ATOM 467 C GLU 64 93.506 44.856 84.315 1.00 0.00 ATOM 468 N ALA 65 94.461 45.195 83.451 1.00 0.00 ATOM 469 CA ALA 65 95.470 44.234 83.006 1.00 0.00 ATOM 470 CB ALA 65 96.319 44.828 81.900 1.00 0.00 ATOM 471 O ALA 65 96.601 42.590 84.337 1.00 0.00 ATOM 472 C ALA 65 96.360 43.783 84.161 1.00 0.00 ATOM 473 N LEU 66 96.841 44.744 84.943 1.00 0.00 ATOM 474 CA LEU 66 97.706 44.452 86.080 1.00 0.00 ATOM 475 CB LEU 66 98.259 45.749 86.667 1.00 0.00 ATOM 476 CG LEU 66 99.245 46.488 85.756 1.00 0.00 ATOM 477 CD1 LEU 66 99.488 47.898 86.262 1.00 0.00 ATOM 478 CD2 LEU 66 100.561 45.727 85.624 1.00 0.00 ATOM 479 O LEU 66 97.602 42.798 87.824 1.00 0.00 ATOM 480 C LEU 66 96.986 43.638 87.156 1.00 0.00 ATOM 481 N ALA 67 95.692 43.897 87.332 1.00 0.00 ATOM 482 CA ALA 67 94.882 43.137 88.277 1.00 0.00 ATOM 483 CB ALA 67 93.485 43.738 88.384 1.00 0.00 ATOM 484 O ALA 67 94.905 40.763 88.593 1.00 0.00 ATOM 485 C ALA 67 94.799 41.695 87.796 1.00 0.00 ATOM 486 N GLY 68 94.615 41.529 86.486 1.00 0.00 ATOM 487 CA GLY 68 94.560 40.213 85.856 1.00 0.00 ATOM 488 O GLY 68 95.799 38.200 86.252 1.00 0.00 ATOM 489 C GLY 68 95.842 39.418 86.052 1.00 0.00 ATOM 490 N LEU 69 96.981 40.108 86.008 1.00 0.00 ATOM 491 CA LEU 69 98.282 39.475 86.217 1.00 0.00 ATOM 492 CB LEU 69 99.379 40.296 85.538 1.00 0.00 ATOM 493 CG LEU 69 99.292 40.415 84.014 1.00 0.00 ATOM 494 CD1 LEU 69 100.247 41.487 83.509 1.00 0.00 ATOM 495 CD2 LEU 69 99.565 39.079 83.336 1.00 0.00 ATOM 496 O LEU 69 99.643 38.706 88.033 1.00 0.00 ATOM 497 C LEU 69 98.620 39.297 87.701 1.00 0.00 ATOM 498 N ARG 70 97.756 39.802 88.581 1.00 0.00 ATOM 499 CA ARG 70 97.943 39.750 90.035 1.00 0.00 ATOM 500 CB ARG 70 97.952 38.302 90.554 1.00 0.00 ATOM 501 CG ARG 70 96.687 37.542 90.148 1.00 0.00 ATOM 502 CD ARG 70 96.627 36.129 90.706 1.00 0.00 ATOM 503 NE ARG 70 96.564 36.101 92.170 1.00 0.00 ATOM 504 CZ ARG 70 95.474 36.350 92.900 1.00 0.00 ATOM 505 NH1 ARG 70 94.313 36.674 92.332 1.00 0.00 ATOM 506 NH2 ARG 70 95.547 36.290 94.223 1.00 0.00 ATOM 507 O ARG 70 99.798 40.249 91.486 1.00 0.00 ATOM 508 C ARG 70 99.155 40.573 90.495 1.00 0.00 ATOM 509 N SER 71 99.435 41.646 89.753 1.00 0.00 ATOM 510 CA SER 71 100.475 42.613 90.087 1.00 0.00 ATOM 511 CB SER 71 101.191 43.092 88.826 1.00 0.00 ATOM 512 OG SER 71 102.138 44.098 89.136 1.00 0.00 ATOM 513 O SER 71 99.510 44.815 90.162 1.00 0.00 ATOM 514 C SER 71 99.697 43.746 90.739 1.00 0.00 ATOM 515 N PHE 72 99.251 43.494 91.960 1.00 0.00 ATOM 516 CA PHE 72 98.326 44.394 92.648 1.00 0.00 ATOM 517 CB PHE 72 97.709 43.689 93.858 1.00 0.00 ATOM 518 CG PHE 72 96.943 42.442 93.505 1.00 0.00 ATOM 519 CD1 PHE 72 95.807 42.511 92.709 1.00 0.00 ATOM 520 CD2 PHE 72 97.343 41.202 93.990 1.00 0.00 ATOM 521 CE1 PHE 72 95.086 41.366 92.387 1.00 0.00 ATOM 522 CE2 PHE 72 96.630 40.053 93.678 1.00 0.00 ATOM 523 CZ PHE 72 95.497 40.135 92.874 1.00 0.00 ATOM 524 O PHE 72 98.082 46.734 93.055 1.00 0.00 ATOM 525 C PHE 72 98.848 45.765 93.060 1.00 0.00 ATOM 526 N ASP 73 100.121 45.861 93.424 1.00 0.00 ATOM 527 CA ASP 73 100.665 47.149 93.832 1.00 0.00 ATOM 528 CB ASP 73 102.080 47.005 94.378 1.00 0.00 ATOM 529 CG ASP 73 102.512 48.207 95.209 1.00 0.00 ATOM 530 OD1 ASP 73 101.702 49.142 95.409 1.00 0.00 ATOM 531 OD2 ASP 73 103.669 48.210 95.680 1.00 0.00 ATOM 532 O ASP 73 100.120 49.249 92.803 1.00 0.00 ATOM 533 C ASP 73 100.618 48.134 92.658 1.00 0.00 ATOM 534 N GLU 74 101.111 47.711 91.497 1.00 0.00 ATOM 535 CA GLU 74 101.087 48.558 90.303 1.00 0.00 ATOM 536 CB GLU 74 101.902 47.932 89.169 1.00 0.00 ATOM 537 CG GLU 74 103.399 47.791 89.467 1.00 0.00 ATOM 538 CD GLU 74 104.191 47.171 88.314 1.00 0.00 ATOM 539 OE1 GLU 74 103.606 46.925 87.229 1.00 0.00 ATOM 540 OE2 GLU 74 105.409 46.935 88.498 1.00 0.00 ATOM 541 O GLU 74 99.362 49.908 89.334 1.00 0.00 ATOM 542 C GLU 74 99.660 48.826 89.834 1.00 0.00 ATOM 543 N ALA 75 98.786 47.834 89.985 1.00 0.00 ATOM 544 CA ALA 75 97.380 47.970 89.599 1.00 0.00 ATOM 545 CB ALA 75 96.648 46.641 89.764 1.00 0.00 ATOM 546 O ALA 75 95.972 49.895 89.862 1.00 0.00 ATOM 547 C ALA 75 96.689 49.056 90.415 1.00 0.00 ATOM 548 N LEU 76 96.919 49.039 91.724 1.00 0.00 ATOM 549 CA LEU 76 96.332 50.019 92.625 1.00 0.00 ATOM 550 CB LEU 76 96.783 49.745 94.065 1.00 0.00 ATOM 551 CG LEU 76 96.266 50.677 95.162 1.00 0.00 ATOM 552 CD1 LEU 76 94.753 50.743 95.159 1.00 0.00 ATOM 553 CD2 LEU 76 96.768 50.206 96.508 1.00 0.00 ATOM 554 O LEU 76 95.852 52.319 92.181 1.00 0.00 ATOM 555 C LEU 76 96.710 51.437 92.226 1.00 0.00 ATOM 556 N HIS 77 97.991 51.650 91.934 1.00 0.00 ATOM 557 CA HIS 77 98.468 52.979 91.548 1.00 0.00 ATOM 558 CB HIS 77 99.991 53.086 91.645 1.00 0.00 ATOM 559 CG HIS 77 100.457 53.284 93.056 1.00 0.00 ATOM 560 CD2 HIS 77 100.761 52.396 94.032 1.00 0.00 ATOM 561 ND1 HIS 77 100.563 54.534 93.633 1.00 0.00 ATOM 562 CE1 HIS 77 100.950 54.409 94.889 1.00 0.00 ATOM 563 NE2 HIS 77 101.077 53.121 95.157 1.00 0.00 ATOM 564 O HIS 77 97.577 54.625 90.060 1.00 0.00 ATOM 565 C HIS 77 97.901 53.450 90.213 1.00 0.00 ATOM 566 N SER 78 97.738 52.532 89.268 1.00 0.00 ATOM 567 CA SER 78 97.171 52.889 87.981 1.00 0.00 ATOM 568 CB SER 78 97.365 51.766 86.975 1.00 0.00 ATOM 569 OG SER 78 96.977 52.195 85.687 1.00 0.00 ATOM 570 O SER 78 95.220 54.214 87.562 1.00 0.00 ATOM 571 C SER 78 95.689 53.236 88.138 1.00 0.00 ATOM 572 N ALA 79 94.961 52.449 88.928 1.00 0.00 ATOM 573 CA ALA 79 93.545 52.717 89.171 1.00 0.00 ATOM 574 CB ALA 79 92.921 51.603 89.984 1.00 0.00 ATOM 575 O ALA 79 92.438 54.819 89.512 1.00 0.00 ATOM 576 C ALA 79 93.347 54.071 89.865 1.00 0.00 ATOM 577 N ASP 80 94.198 54.393 90.839 1.00 0.00 ATOM 578 CA ASP 80 94.108 55.681 91.532 1.00 0.00 ATOM 579 CB ASP 80 95.132 55.778 92.672 1.00 0.00 ATOM 580 CG ASP 80 94.799 54.873 93.846 1.00 0.00 ATOM 581 OD1 ASP 80 93.643 54.409 93.938 1.00 0.00 ATOM 582 OD2 ASP 80 95.693 54.640 94.689 1.00 0.00 ATOM 583 O ASP 80 93.609 57.869 90.711 1.00 0.00 ATOM 584 C ASP 80 94.295 56.856 90.577 1.00 0.00 ATOM 585 N LYS 81 95.219 56.727 89.625 1.00 0.00 ATOM 586 CA LYS 81 95.443 57.788 88.641 1.00 0.00 ATOM 587 CB LYS 81 96.743 57.574 87.845 1.00 0.00 ATOM 588 CG LYS 81 98.011 57.854 88.681 1.00 0.00 ATOM 589 CD LYS 81 99.292 57.871 87.853 1.00 0.00 ATOM 590 O LYS 81 93.888 59.089 87.359 1.00 0.00 ATOM 591 C LYS 81 94.219 57.968 87.737 1.00 0.00 ATOM 592 N ALA 82 93.531 56.878 87.416 1.00 0.00 ATOM 593 CA ALA 82 92.312 56.963 86.612 1.00 0.00 ATOM 594 CB ALA 82 91.900 55.588 86.117 1.00 0.00 ATOM 595 O ALA 82 90.445 58.447 86.909 1.00 0.00 ATOM 596 C ALA 82 91.176 57.594 87.415 1.00 0.00 ATOM 597 N LEU 83 91.041 57.176 88.670 1.00 0.00 ATOM 598 CA LEU 83 89.991 57.685 89.545 1.00 0.00 ATOM 599 CB LEU 83 89.894 56.822 90.803 1.00 0.00 ATOM 600 CG LEU 83 89.441 55.381 90.548 1.00 0.00 ATOM 601 CD1 LEU 83 89.669 54.509 91.773 1.00 0.00 ATOM 602 CD2 LEU 83 87.981 55.323 90.110 1.00 0.00 ATOM 603 O LEU 83 89.186 59.852 90.163 1.00 0.00 ATOM 604 C LEU 83 90.171 59.159 89.906 1.00 0.00 ATOM 605 N HIS 84 91.414 59.639 89.924 1.00 0.00 ATOM 606 CA HIS 84 91.687 61.054 90.193 1.00 0.00 ATOM 607 CB HIS 84 93.197 61.335 90.194 1.00 0.00 ATOM 608 CG HIS 84 93.557 62.751 90.536 1.00 0.00 ATOM 609 CD2 HIS 84 93.920 63.794 89.752 1.00 0.00 ATOM 610 ND1 HIS 84 93.594 63.219 91.833 1.00 0.00 ATOM 611 CE1 HIS 84 93.948 64.492 91.833 1.00 0.00 ATOM 612 NE2 HIS 84 94.154 64.865 90.583 1.00 0.00 ATOM 613 O HIS 84 90.477 62.988 89.447 1.00 0.00 ATOM 614 C HIS 84 90.977 61.911 89.141 1.00 0.00 ATOM 615 N TYR 85 90.928 61.412 87.906 1.00 0.00 ATOM 616 CA TYR 85 90.233 62.091 86.813 1.00 0.00 ATOM 617 CB TYR 85 90.755 61.601 85.455 1.00 0.00 ATOM 618 CG TYR 85 90.013 62.179 84.267 1.00 0.00 ATOM 619 CD1 TYR 85 90.304 63.455 83.793 1.00 0.00 ATOM 620 CD2 TYR 85 89.024 61.446 83.612 1.00 0.00 ATOM 621 CE1 TYR 85 89.627 63.989 82.705 1.00 0.00 ATOM 622 CE2 TYR 85 88.341 61.972 82.522 1.00 0.00 ATOM 623 CZ TYR 85 88.650 63.245 82.075 1.00 0.00 ATOM 624 OH TYR 85 87.987 63.777 80.995 1.00 0.00 ATOM 625 O TYR 85 87.959 62.854 86.797 1.00 0.00 ATOM 626 C TYR 85 88.717 61.889 86.882 1.00 0.00 ATOM 627 N PHE 86 88.279 60.639 87.024 1.00 0.00 ATOM 628 CA PHE 86 86.843 60.336 87.040 1.00 0.00 ATOM 629 CB PHE 86 86.579 58.825 87.015 1.00 0.00 ATOM 630 CG PHE 86 86.985 58.151 85.732 1.00 0.00 ATOM 631 CD1 PHE 86 86.425 58.533 84.522 1.00 0.00 ATOM 632 CD2 PHE 86 87.881 57.094 85.742 1.00 0.00 ATOM 633 CE1 PHE 86 86.786 57.901 83.344 1.00 0.00 ATOM 634 CE2 PHE 86 88.243 56.454 84.565 1.00 0.00 ATOM 635 CZ PHE 86 87.693 56.858 83.366 1.00 0.00 ATOM 636 O PHE 86 84.918 61.365 88.025 1.00 0.00 ATOM 637 C PHE 86 86.074 60.979 88.197 1.00 0.00 ATOM 638 N ASN 87 86.695 61.096 89.366 1.00 0.00 ATOM 639 CA ASN 87 86.024 61.732 90.495 1.00 0.00 ATOM 640 CB ASN 87 86.773 61.468 91.805 1.00 0.00 ATOM 641 CG ASN 87 86.731 59.999 92.225 1.00 0.00 ATOM 642 ND2 ASN 87 87.568 59.648 93.189 1.00 0.00 ATOM 643 OD1 ASN 87 85.955 59.194 91.694 1.00 0.00 ATOM 644 O ASN 87 84.874 63.817 90.762 1.00 0.00 ATOM 645 C ASN 87 85.831 63.232 90.257 1.00 0.00 ATOM 646 N ARG 88 86.716 63.842 89.468 1.00 0.00 ATOM 647 CA ARG 88 86.627 65.268 89.154 1.00 0.00 ATOM 648 CB ARG 88 88.026 65.858 88.934 1.00 0.00 ATOM 649 O ARG 88 84.777 66.301 88.035 1.00 0.00 ATOM 650 C ARG 88 85.752 65.557 87.929 1.00 0.00 ATOM 651 N ARG 89 86.087 64.961 86.782 1.00 0.00 ATOM 652 CA ARG 89 85.380 65.234 85.513 1.00 0.00 ATOM 653 CB ARG 89 86.378 65.784 84.469 1.00 0.00 ATOM 654 CG ARG 89 87.067 67.101 84.852 1.00 0.00 ATOM 655 CD ARG 89 87.978 67.615 83.730 1.00 0.00 ATOM 656 O ARG 89 84.277 64.085 83.717 1.00 0.00 ATOM 657 C ARG 89 84.630 64.044 84.897 1.00 0.00 ATOM 658 N GLY 90 84.361 63.002 85.677 1.00 0.00 ATOM 659 CA GLY 90 83.695 61.811 85.142 1.00 0.00 ATOM 660 O GLY 90 81.530 62.609 85.793 1.00 0.00 ATOM 661 C GLY 90 82.187 61.929 85.001 1.00 0.00 ATOM 662 N GLU 91 81.651 61.256 83.982 1.00 0.00 ATOM 663 CA GLU 91 80.209 61.209 83.710 1.00 0.00 ATOM 664 CB GLU 91 79.874 62.012 82.451 1.00 0.00 ATOM 665 CG GLU 91 80.028 63.528 82.698 1.00 0.00 ATOM 666 CD GLU 91 79.648 64.399 81.515 1.00 0.00 ATOM 667 OE1 GLU 91 79.729 63.924 80.362 1.00 0.00 ATOM 668 OE2 GLU 91 79.289 65.574 81.747 1.00 0.00 ATOM 669 O GLU 91 80.094 59.030 82.671 1.00 0.00 ATOM 670 C GLU 91 79.775 59.738 83.629 1.00 0.00 ATOM 671 N LEU 92 79.060 59.294 84.661 1.00 0.00 ATOM 672 CA LEU 92 78.651 57.895 84.797 1.00 0.00 ATOM 673 CB LEU 92 77.977 57.675 86.161 1.00 0.00 ATOM 674 CG LEU 92 77.585 56.248 86.565 1.00 0.00 ATOM 675 CD1 LEU 92 78.787 55.316 86.538 1.00 0.00 ATOM 676 CD2 LEU 92 76.942 56.237 87.941 1.00 0.00 ATOM 677 O LEU 92 77.867 56.206 83.301 1.00 0.00 ATOM 678 C LEU 92 77.744 57.365 83.684 1.00 0.00 ATOM 679 N ASN 93 76.849 58.201 83.163 1.00 0.00 ATOM 680 CA ASN 93 75.912 57.760 82.121 1.00 0.00 ATOM 681 CB ASN 93 74.560 58.452 82.313 1.00 0.00 ATOM 682 CG ASN 93 73.871 58.023 83.587 1.00 0.00 ATOM 683 ND2 ASN 93 73.140 58.940 84.203 1.00 0.00 ATOM 684 OD1 ASN 93 73.980 56.873 84.007 1.00 0.00 ATOM 685 O ASN 93 75.582 57.832 79.756 1.00 0.00 ATOM 686 C ASN 93 76.392 57.891 80.671 1.00 0.00 ATOM 687 N GLN 94 77.693 58.066 80.459 1.00 0.00 ATOM 688 CA GLN 94 78.252 58.109 79.104 1.00 0.00 ATOM 689 CB GLN 94 78.999 59.403 78.836 1.00 0.00 ATOM 690 CG GLN 94 78.087 60.610 79.017 1.00 0.00 ATOM 691 CD GLN 94 78.426 61.780 78.118 1.00 0.00 ATOM 692 OE1 GLN 94 79.254 61.675 77.209 1.00 0.00 ATOM 693 NE2 GLN 94 77.759 62.901 78.351 1.00 0.00 ATOM 694 O GLN 94 79.402 56.243 79.980 1.00 0.00 ATOM 695 C GLN 94 79.141 56.896 78.974 1.00 0.00 ATOM 696 N ASP 95 79.603 56.579 77.765 1.00 0.00 ATOM 697 CA ASP 95 80.469 55.399 77.577 1.00 0.00 ATOM 698 CB ASP 95 80.987 55.280 76.148 1.00 0.00 ATOM 699 CG ASP 95 79.985 54.623 75.228 1.00 0.00 ATOM 700 OD1 ASP 95 78.771 54.909 75.340 1.00 0.00 ATOM 701 OD2 ASP 95 80.426 53.814 74.386 1.00 0.00 ATOM 702 O ASP 95 82.022 54.345 79.069 1.00 0.00 ATOM 703 C ASP 95 81.630 55.393 78.565 1.00 0.00 ATOM 704 N GLU 96 82.162 56.586 78.812 1.00 0.00 ATOM 705 CA GLU 96 83.197 56.860 79.809 1.00 0.00 ATOM 706 CB GLU 96 83.212 58.388 80.037 1.00 0.00 ATOM 707 CG GLU 96 84.363 58.956 80.847 1.00 0.00 ATOM 708 CD GLU 96 84.245 60.470 81.068 1.00 0.00 ATOM 709 OE1 GLU 96 83.226 60.923 81.640 1.00 0.00 ATOM 710 OE2 GLU 96 85.188 61.207 80.701 1.00 0.00 ATOM 711 O GLU 96 83.855 55.619 81.772 1.00 0.00 ATOM 712 C GLU 96 82.929 56.134 81.144 1.00 0.00 ATOM 713 N GLY 97 81.663 56.112 81.565 1.00 0.00 ATOM 714 CA GLY 97 81.236 55.470 82.811 1.00 0.00 ATOM 715 O GLY 97 81.828 53.535 84.081 1.00 0.00 ATOM 716 C GLY 97 81.617 54.009 82.964 1.00 0.00 ATOM 717 N LYS 98 81.697 53.287 81.849 1.00 0.00 ATOM 718 CA LYS 98 82.106 51.882 81.874 1.00 0.00 ATOM 719 CB LYS 98 81.942 51.239 80.493 1.00 0.00 ATOM 720 CG LYS 98 80.490 51.157 80.049 1.00 0.00 ATOM 721 CD LYS 98 80.309 50.397 78.751 1.00 0.00 ATOM 722 CE LYS 98 80.879 51.118 77.544 1.00 0.00 ATOM 723 NZ LYS 98 80.644 50.308 76.309 1.00 0.00 ATOM 724 O LYS 98 83.877 50.824 83.108 1.00 0.00 ATOM 725 C LYS 98 83.550 51.748 82.362 1.00 0.00 ATOM 726 N LEU 99 84.409 52.673 81.943 1.00 0.00 ATOM 727 CA LEU 99 85.801 52.676 82.393 1.00 0.00 ATOM 728 CB LEU 99 86.687 53.497 81.449 1.00 0.00 ATOM 729 CG LEU 99 86.866 52.921 80.037 1.00 0.00 ATOM 730 CD1 LEU 99 87.642 53.876 79.141 1.00 0.00 ATOM 731 CD2 LEU 99 87.557 51.560 80.079 1.00 0.00 ATOM 732 O LEU 99 86.843 52.755 84.546 1.00 0.00 ATOM 733 C LEU 99 85.926 53.166 83.843 1.00 0.00 ATOM 734 N TRP 100 85.018 54.039 84.280 1.00 0.00 ATOM 735 CA TRP 100 85.015 54.519 85.663 1.00 0.00 ATOM 736 CB TRP 100 83.898 55.543 85.883 1.00 0.00 ATOM 737 CG TRP 100 83.958 56.327 87.178 1.00 0.00 ATOM 738 CD1 TRP 100 84.706 56.052 88.292 1.00 0.00 ATOM 739 CD2 TRP 100 83.138 57.451 87.522 1.00 0.00 ATOM 740 CE2 TRP 100 83.485 57.840 88.832 1.00 0.00 ATOM 741 CE3 TRP 100 82.161 58.184 86.836 1.00 0.00 ATOM 742 NE1 TRP 100 84.452 56.979 89.274 1.00 0.00 ATOM 743 CZ2 TRP 100 82.893 58.921 89.470 1.00 0.00 ATOM 744 CZ3 TRP 100 81.574 59.262 87.471 1.00 0.00 ATOM 745 CH2 TRP 100 81.941 59.620 88.776 1.00 0.00 ATOM 746 O TRP 100 85.543 53.038 87.479 1.00 0.00 ATOM 747 C TRP 100 84.767 53.306 86.563 1.00 0.00 ATOM 748 N ILE 101 83.688 52.575 86.276 1.00 0.00 ATOM 749 CA ILE 101 83.310 51.388 87.041 1.00 0.00 ATOM 750 CB ILE 101 81.999 50.748 86.494 1.00 0.00 ATOM 751 CG1 ILE 101 80.808 51.678 86.752 1.00 0.00 ATOM 752 CG2 ILE 101 81.729 49.388 87.164 1.00 0.00 ATOM 753 CD1 ILE 101 79.510 51.232 86.121 1.00 0.00 ATOM 754 O ILE 101 84.754 49.780 88.085 1.00 0.00 ATOM 755 C ILE 101 84.450 50.371 87.048 1.00 0.00 ATOM 756 N SER 102 85.078 50.184 85.893 1.00 0.00 ATOM 757 CA SER 102 86.215 49.279 85.761 1.00 0.00 ATOM 758 CB SER 102 86.727 49.302 84.314 1.00 0.00 ATOM 759 OG SER 102 87.939 48.577 84.173 1.00 0.00 ATOM 760 O SER 102 87.917 48.781 87.382 1.00 0.00 ATOM 761 C SER 102 87.350 49.648 86.720 1.00 0.00 ATOM 762 N ALA 103 87.679 50.935 86.783 1.00 0.00 ATOM 763 CA ALA 103 88.749 51.420 87.654 1.00 0.00 ATOM 764 CB ALA 103 89.014 52.891 87.389 1.00 0.00 ATOM 765 O ALA 103 89.341 50.861 89.908 1.00 0.00 ATOM 766 C ALA 103 88.445 51.196 89.134 1.00 0.00 ATOM 767 N VAL 104 87.187 51.386 89.520 1.00 0.00 ATOM 768 CA VAL 104 86.761 51.178 90.905 1.00 0.00 ATOM 769 CB VAL 104 85.320 51.713 91.137 1.00 0.00 ATOM 770 CG1 VAL 104 84.827 51.427 92.544 1.00 0.00 ATOM 771 CG2 VAL 104 85.264 53.205 90.892 1.00 0.00 ATOM 772 O VAL 104 87.299 49.322 92.333 1.00 0.00 ATOM 773 C VAL 104 86.865 49.688 91.242 1.00 0.00 ATOM 774 N TYR 105 86.473 48.842 90.292 1.00 0.00 ATOM 775 CA TYR 105 86.542 47.397 90.452 1.00 0.00 ATOM 776 CB TYR 105 85.840 46.724 89.280 1.00 0.00 ATOM 777 CG TYR 105 85.790 45.218 89.349 1.00 0.00 ATOM 778 CD1 TYR 105 85.054 44.574 90.339 1.00 0.00 ATOM 779 CD2 TYR 105 86.434 44.439 88.395 1.00 0.00 ATOM 780 CE1 TYR 105 84.988 43.192 90.394 1.00 0.00 ATOM 781 CE2 TYR 105 86.376 43.067 88.447 1.00 0.00 ATOM 782 CZ TYR 105 85.651 42.445 89.445 1.00 0.00 ATOM 783 OH TYR 105 85.587 41.071 89.480 1.00 0.00 ATOM 784 O TYR 105 88.314 46.139 91.433 1.00 0.00 ATOM 785 C TYR 105 87.989 46.939 90.561 1.00 0.00 ATOM 786 N SER 106 88.854 47.456 89.691 1.00 0.00 ATOM 787 CA SER 106 90.283 47.141 89.745 1.00 0.00 ATOM 788 CB SER 106 91.048 47.867 88.628 1.00 0.00 ATOM 789 OG SER 106 90.694 47.402 87.336 1.00 0.00 ATOM 790 O SER 106 91.689 46.789 91.662 1.00 0.00 ATOM 791 C SER 106 90.880 47.529 91.100 1.00 0.00 ATOM 792 N ARG 107 90.479 48.690 91.616 1.00 0.00 ATOM 793 CA ARG 107 90.965 49.159 92.902 1.00 0.00 ATOM 794 CB ARG 107 90.454 50.567 93.200 1.00 0.00 ATOM 795 CG ARG 107 91.008 51.133 94.495 1.00 0.00 ATOM 796 CD ARG 107 90.830 52.627 94.592 1.00 0.00 ATOM 797 NE ARG 107 91.661 53.156 95.671 1.00 0.00 ATOM 798 CZ ARG 107 91.306 53.214 96.948 1.00 0.00 ATOM 799 NH1 ARG 107 90.130 52.767 97.365 1.00 0.00 ATOM 800 NH2 ARG 107 92.158 53.715 97.823 1.00 0.00 ATOM 801 O ARG 107 91.346 47.923 94.911 1.00 0.00 ATOM 802 C ARG 107 90.551 48.212 94.017 1.00 0.00 ATOM 803 N ALA 108 89.308 47.738 93.963 1.00 0.00 ATOM 804 CA ALA 108 88.809 46.796 94.960 1.00 0.00 ATOM 805 CB ALA 108 87.337 46.518 94.736 1.00 0.00 ATOM 806 O ALA 108 90.038 44.998 95.958 1.00 0.00 ATOM 807 C ALA 108 89.611 45.495 94.917 1.00 0.00 ATOM 808 N LEU 109 89.825 44.961 93.711 1.00 0.00 ATOM 809 CA LEU 109 90.606 43.734 93.535 1.00 0.00 ATOM 810 CB LEU 109 90.630 43.290 92.071 1.00 0.00 ATOM 811 CG LEU 109 89.337 42.847 91.384 1.00 0.00 ATOM 812 CD1 LEU 109 89.606 42.559 89.907 1.00 0.00 ATOM 813 CD2 LEU 109 88.723 41.636 92.074 1.00 0.00 ATOM 814 O LEU 109 92.615 42.991 94.593 1.00 0.00 ATOM 815 C LEU 109 92.044 43.907 94.008 1.00 0.00 ATOM 816 N ALA 110 92.624 45.074 93.741 1.00 0.00 ATOM 817 CA ALA 110 93.998 45.359 94.136 1.00 0.00 ATOM 818 CB ALA 110 94.479 46.651 93.493 1.00 0.00 ATOM 819 O ALA 110 95.032 44.816 96.224 1.00 0.00 ATOM 820 C ALA 110 94.136 45.433 95.652 1.00 0.00 ATOM 821 N LEU 111 93.250 46.190 96.294 1.00 0.00 ATOM 822 CA LEU 111 93.256 46.311 97.748 1.00 0.00 ATOM 823 CB LEU 111 92.143 47.249 98.217 1.00 0.00 ATOM 824 CG LEU 111 92.329 48.734 97.906 1.00 0.00 ATOM 825 CD1 LEU 111 91.023 49.491 98.086 1.00 0.00 ATOM 826 CD2 LEU 111 93.438 49.336 98.767 1.00 0.00 ATOM 827 O LEU 111 93.733 44.637 99.390 1.00 0.00 ATOM 828 C LEU 111 93.074 44.950 98.402 1.00 0.00 ATOM 829 N ASP 112 92.182 44.145 97.833 1.00 0.00 ATOM 830 CA ASP 112 91.905 42.810 98.346 1.00 0.00 ATOM 831 CB ASP 112 90.703 42.226 97.606 1.00 0.00 ATOM 832 CG ASP 112 90.198 40.927 98.210 1.00 0.00 ATOM 833 OD1 ASP 112 90.666 40.531 99.298 1.00 0.00 ATOM 834 OD2 ASP 112 89.306 40.308 97.586 1.00 0.00 ATOM 835 O ASP 112 93.531 41.203 99.111 1.00 0.00 ATOM 836 C ASP 112 93.144 41.921 98.183 1.00 0.00 ATOM 837 N GLY 113 93.773 41.996 97.012 1.00 0.00 ATOM 838 CA GLY 113 94.988 41.233 96.728 1.00 0.00 ATOM 839 O GLY 113 97.045 40.763 97.854 1.00 0.00 ATOM 840 C GLY 113 96.174 41.593 97.614 1.00 0.00 ATOM 841 N LEU 114 96.206 42.834 98.096 1.00 0.00 ATOM 842 CA LEU 114 97.262 43.307 98.990 1.00 0.00 ATOM 843 CB LEU 114 97.486 44.809 98.781 1.00 0.00 ATOM 844 CG LEU 114 98.028 45.220 97.408 1.00 0.00 ATOM 845 CD1 LEU 114 97.878 46.715 97.201 1.00 0.00 ATOM 846 CD2 LEU 114 99.478 44.786 97.236 1.00 0.00 ATOM 847 O LEU 114 97.725 43.416 101.341 1.00 0.00 ATOM 848 C LEU 114 96.953 43.032 100.466 1.00 0.00 ATOM 849 N GLY 115 95.830 42.372 100.747 1.00 0.00 ATOM 850 CA GLY 115 95.443 42.047 102.121 1.00 0.00 ATOM 851 O GLY 115 94.710 43.146 104.104 1.00 0.00 ATOM 852 C GLY 115 94.803 43.195 102.882 1.00 0.00 ATOM 853 N ARG 116 94.355 44.219 102.160 1.00 0.00 ATOM 854 CA ARG 116 93.710 45.389 102.750 1.00 0.00 ATOM 855 CB ARG 116 94.268 46.672 102.121 1.00 0.00 ATOM 856 CG ARG 116 95.730 46.944 102.487 1.00 0.00 ATOM 857 CD ARG 116 96.458 47.874 101.502 1.00 0.00 ATOM 858 NE ARG 116 95.913 49.233 101.397 1.00 0.00 ATOM 859 CZ ARG 116 96.422 50.192 100.616 1.00 0.00 ATOM 860 NH1 ARG 116 97.494 49.967 99.855 1.00 0.00 ATOM 861 NH2 ARG 116 95.856 51.393 100.586 1.00 0.00 ATOM 862 O ARG 116 91.585 46.072 101.836 1.00 0.00 ATOM 863 C ARG 116 92.203 45.264 102.536 1.00 0.00 ATOM 864 N GLY 117 91.626 44.232 103.147 1.00 0.00 ATOM 865 CA GLY 117 90.198 43.930 103.025 1.00 0.00 ATOM 866 O GLY 117 88.156 45.167 103.077 1.00 0.00 ATOM 867 C GLY 117 89.252 44.967 103.605 1.00 0.00 ATOM 868 N ALA 118 89.668 45.625 104.687 1.00 0.00 ATOM 869 CA ALA 118 88.859 46.669 105.316 1.00 0.00 ATOM 870 CB ALA 118 89.556 47.204 106.559 1.00 0.00 ATOM 871 O ALA 118 87.494 48.416 104.404 1.00 0.00 ATOM 872 C ALA 118 88.563 47.813 104.344 1.00 0.00 ATOM 873 N GLU 119 89.509 48.101 103.452 1.00 0.00 ATOM 874 CA GLU 119 89.353 49.157 102.458 1.00 0.00 ATOM 875 CB GLU 119 90.707 49.766 102.143 1.00 0.00 ATOM 876 CG GLU 119 91.457 50.256 103.363 1.00 0.00 ATOM 877 CD GLU 119 92.801 50.806 103.000 1.00 0.00 ATOM 878 OE1 GLU 119 92.870 51.606 102.046 1.00 0.00 ATOM 879 OE2 GLU 119 93.784 50.445 103.672 1.00 0.00 ATOM 880 O GLU 119 88.073 49.398 100.453 1.00 0.00 ATOM 881 C GLU 119 88.726 48.639 101.170 1.00 0.00 ATOM 882 N ALA 120 88.940 47.356 100.874 1.00 0.00 ATOM 883 CA ALA 120 88.403 46.729 99.668 1.00 0.00 ATOM 884 CB ALA 120 89.041 45.365 99.454 1.00 0.00 ATOM 885 O ALA 120 86.207 46.755 98.707 1.00 0.00 ATOM 886 C ALA 120 86.890 46.581 99.722 1.00 0.00 ATOM 887 N MET 121 86.371 46.246 100.901 1.00 0.00 ATOM 888 CA MET 121 84.926 46.059 101.074 1.00 0.00 ATOM 889 CB MET 121 84.564 45.709 102.512 1.00 0.00 ATOM 890 CG MET 121 84.306 44.242 102.758 1.00 0.00 ATOM 891 SD MET 121 83.881 44.064 104.650 1.00 0.00 ATOM 892 CE MET 121 82.903 42.532 104.699 1.00 0.00 ATOM 893 O MET 121 83.191 47.035 99.763 1.00 0.00 ATOM 894 C MET 121 84.066 47.230 100.605 1.00 0.00 ATOM 895 N PRO 122 84.278 48.433 101.170 1.00 0.00 ATOM 896 CA PRO 122 83.486 49.562 100.679 1.00 0.00 ATOM 897 CB PRO 122 83.990 50.751 101.507 1.00 0.00 ATOM 898 CG PRO 122 85.234 50.299 102.152 1.00 0.00 ATOM 899 CD PRO 122 85.161 48.824 102.280 1.00 0.00 ATOM 900 O PRO 122 82.673 50.315 98.571 1.00 0.00 ATOM 901 C PRO 122 83.623 49.823 99.173 1.00 0.00 ATOM 902 N GLU 123 84.773 49.502 98.572 1.00 0.00 ATOM 903 CA GLU 123 84.945 49.670 97.122 1.00 0.00 ATOM 904 CB GLU 123 86.412 49.586 96.707 1.00 0.00 ATOM 905 CG GLU 123 87.192 50.844 97.046 1.00 0.00 ATOM 906 CD GLU 123 86.907 52.015 96.098 1.00 0.00 ATOM 907 OE1 GLU 123 86.987 51.822 94.871 1.00 0.00 ATOM 908 OE2 GLU 123 86.653 53.139 96.575 1.00 0.00 ATOM 909 O GLU 123 83.548 49.023 95.307 1.00 0.00 ATOM 910 C GLU 123 84.104 48.669 96.343 1.00 0.00 ATOM 911 N PHE 124 84.018 47.426 96.827 1.00 0.00 ATOM 912 CA PHE 124 83.154 46.424 96.183 1.00 0.00 ATOM 913 CB PHE 124 83.316 45.026 96.787 1.00 0.00 ATOM 914 CG PHE 124 84.552 44.300 96.336 1.00 0.00 ATOM 915 CD1 PHE 124 84.693 43.907 95.015 1.00 0.00 ATOM 916 CD2 PHE 124 85.548 43.962 97.238 1.00 0.00 ATOM 917 CE1 PHE 124 85.821 43.218 94.589 1.00 0.00 ATOM 918 CE2 PHE 124 86.678 43.266 96.820 1.00 0.00 ATOM 919 CZ PHE 124 86.813 42.896 95.493 1.00 0.00 ATOM 920 O PHE 124 80.931 46.617 95.322 1.00 0.00 ATOM 921 C PHE 124 81.687 46.845 96.262 1.00 0.00 ATOM 922 N LYS 125 81.291 47.445 97.385 1.00 0.00 ATOM 923 CA LYS 125 79.931 47.958 97.545 1.00 0.00 ATOM 924 CB LYS 125 79.696 48.473 98.973 1.00 0.00 ATOM 925 CG LYS 125 78.235 48.798 99.310 1.00 0.00 ATOM 926 CD LYS 125 78.065 49.362 100.737 1.00 0.00 ATOM 927 O LYS 125 78.625 49.160 95.929 1.00 0.00 ATOM 928 C LYS 125 79.692 49.085 96.534 1.00 0.00 ATOM 929 N LYS 126 80.696 49.947 96.352 1.00 0.00 ATOM 930 CA LYS 126 80.617 51.079 95.422 1.00 0.00 ATOM 931 CB LYS 126 81.880 51.956 95.551 1.00 0.00 ATOM 932 CG LYS 126 81.922 53.239 94.707 1.00 0.00 ATOM 933 CD LYS 126 80.957 54.319 95.195 1.00 0.00 ATOM 934 CE LYS 126 81.034 55.566 94.304 1.00 0.00 ATOM 935 NZ LYS 126 80.106 56.650 94.735 1.00 0.00 ATOM 936 O LYS 126 79.726 51.250 93.207 1.00 0.00 ATOM 937 C LYS 126 80.432 50.604 93.980 1.00 0.00 ATOM 938 N VAL 127 81.067 49.486 93.622 1.00 0.00 ATOM 939 CA VAL 127 80.928 48.922 92.280 1.00 0.00 ATOM 940 CB VAL 127 81.836 47.680 92.052 1.00 0.00 ATOM 941 CG1 VAL 127 81.515 47.005 90.727 1.00 0.00 ATOM 942 CG2 VAL 127 83.304 48.069 92.072 1.00 0.00 ATOM 943 O VAL 127 78.911 48.902 90.986 1.00 0.00 ATOM 944 C VAL 127 79.467 48.556 92.028 1.00 0.00 ATOM 945 N VAL 128 78.848 47.880 92.991 1.00 0.00 ATOM 946 CA VAL 128 77.451 47.475 92.861 1.00 0.00 ATOM 947 CB VAL 128 77.001 46.544 94.012 1.00 0.00 ATOM 948 CG1 VAL 128 75.514 46.200 93.882 1.00 0.00 ATOM 949 CG2 VAL 128 77.839 45.265 94.030 1.00 0.00 ATOM 950 O VAL 128 75.640 48.750 91.962 1.00 0.00 ATOM 951 C VAL 128 76.542 48.701 92.790 1.00 0.00 ATOM 952 N GLU 129 76.791 49.688 93.649 1.00 0.00 ATOM 953 CA GLU 129 75.991 50.915 93.667 1.00 0.00 ATOM 954 CB GLU 129 76.406 51.822 94.834 1.00 0.00 ATOM 955 CG GLU 129 75.965 51.290 96.206 1.00 0.00 ATOM 956 CD GLU 129 76.455 52.140 97.378 1.00 0.00 ATOM 957 OE1 GLU 129 77.620 52.600 97.352 1.00 0.00 ATOM 958 OE2 GLU 129 75.682 52.331 98.344 1.00 0.00 ATOM 959 O GLU 129 75.035 52.156 91.845 1.00 0.00 ATOM 960 C GLU 129 76.053 51.669 92.334 1.00 0.00 ATOM 961 N MET 130 77.239 51.742 91.739 1.00 0.00 ATOM 962 CA MET 130 77.409 52.429 90.453 1.00 0.00 ATOM 963 CB MET 130 78.888 52.631 90.132 1.00 0.00 ATOM 964 CG MET 130 79.557 53.639 91.047 1.00 0.00 ATOM 965 SD MET 130 81.480 53.666 90.862 1.00 0.00 ATOM 966 CE MET 130 81.629 54.379 89.059 1.00 0.00 ATOM 967 O MET 130 76.168 52.350 88.411 1.00 0.00 ATOM 968 C MET 130 76.716 51.708 89.303 1.00 0.00 ATOM 969 N ILE 131 76.746 50.379 89.325 1.00 0.00 ATOM 970 CA ILE 131 76.074 49.579 88.302 1.00 0.00 ATOM 971 CB ILE 131 76.399 48.074 88.452 1.00 0.00 ATOM 972 CG1 ILE 131 77.861 47.823 88.088 1.00 0.00 ATOM 973 CG2 ILE 131 75.509 47.223 87.543 1.00 0.00 ATOM 974 CD1 ILE 131 78.369 46.456 88.471 1.00 0.00 ATOM 975 O ILE 131 73.909 49.943 87.317 1.00 0.00 ATOM 976 C ILE 131 74.562 49.828 88.360 1.00 0.00 ATOM 977 N GLU 132 74.010 49.905 89.570 1.00 0.00 ATOM 978 CA GLU 132 72.587 50.200 89.735 1.00 0.00 ATOM 979 CB GLU 132 72.171 50.175 91.199 1.00 0.00 ATOM 980 CG GLU 132 72.181 48.834 91.854 1.00 0.00 ATOM 981 CD GLU 132 71.858 48.954 93.318 1.00 0.00 ATOM 982 OE1 GLU 132 72.696 48.526 94.137 1.00 0.00 ATOM 983 OE2 GLU 132 70.797 49.526 93.654 1.00 0.00 ATOM 984 O GLU 132 71.335 51.778 88.440 1.00 0.00 ATOM 985 C GLU 132 72.270 51.591 89.214 1.00 0.00 ATOM 986 N GLU 133 73.068 52.556 89.664 1.00 0.00 ATOM 987 CA GLU 133 72.892 53.964 89.330 1.00 0.00 ATOM 988 CB GLU 133 73.957 54.785 90.069 1.00 0.00 ATOM 989 CG GLU 133 73.644 56.269 90.205 1.00 0.00 ATOM 990 CD GLU 133 74.709 57.034 90.991 1.00 0.00 ATOM 991 OE1 GLU 133 75.843 56.525 91.149 1.00 0.00 ATOM 992 OE2 GLU 133 74.405 58.156 91.451 1.00 0.00 ATOM 993 O GLU 133 72.231 55.045 87.302 1.00 0.00 ATOM 994 C GLU 133 72.986 54.239 87.833 1.00 0.00 ATOM 995 N ARG 134 73.906 53.561 87.159 1.00 0.00 ATOM 996 CA ARG 134 74.118 53.778 85.737 1.00 0.00 ATOM 997 CB ARG 134 75.412 53.087 85.281 1.00 0.00 ATOM 998 CG ARG 134 75.809 53.409 83.842 1.00 0.00 ATOM 999 CD ARG 134 77.195 52.890 83.474 1.00 0.00 ATOM 1000 NE ARG 134 77.630 53.448 82.191 1.00 0.00 ATOM 1001 CZ ARG 134 77.228 53.024 80.996 1.00 0.00 ATOM 1002 NH1 ARG 134 76.387 52.015 80.874 1.00 0.00 ATOM 1003 NH2 ARG 134 77.672 53.615 79.901 1.00 0.00 ATOM 1004 O ARG 134 72.527 52.165 84.928 1.00 0.00 ATOM 1005 C ARG 134 72.942 53.325 84.870 1.00 0.00 ATOM 1006 N LYS 135 72.390 54.266 84.104 1.00 0.00 ATOM 1007 CA LYS 135 71.362 53.962 83.116 1.00 0.00 ATOM 1008 CB LYS 135 70.440 55.159 82.855 1.00 0.00 ATOM 1009 O LYS 135 73.076 54.398 81.488 1.00 0.00 ATOM 1010 C LYS 135 72.198 53.618 81.885 1.00 0.00 ATOM 1011 N GLY 136 71.978 52.433 81.318 1.00 0.00 ATOM 1012 CA GLY 136 72.734 51.992 80.142 1.00 0.00 ATOM 1013 O GLY 136 73.824 50.335 81.485 1.00 0.00 ATOM 1014 C GLY 136 73.459 50.676 80.360 1.00 0.00 ATOM 1015 N GLU 137 73.673 49.950 79.266 1.00 0.00 ATOM 1016 CA GLU 137 74.335 48.648 79.292 1.00 0.00 ATOM 1017 CB GLU 137 74.435 48.072 77.867 1.00 0.00 ATOM 1018 O GLU 137 76.511 49.625 79.555 1.00 0.00 ATOM 1019 C GLU 137 75.736 48.736 79.903 1.00 0.00 ATOM 1020 N THR 138 76.050 47.810 80.811 1.00 0.00 ATOM 1021 CA THR 138 77.364 47.741 81.445 1.00 0.00 ATOM 1022 CB THR 138 77.284 48.132 82.928 1.00 0.00 ATOM 1023 CG2 THR 138 78.674 48.178 83.556 1.00 0.00 ATOM 1024 OG1 THR 138 76.669 49.421 83.044 1.00 0.00 ATOM 1025 O THR 138 77.701 45.486 82.165 1.00 0.00 ATOM 1026 C THR 138 77.898 46.317 81.287 1.00 0.00 ATOM 1027 N PRO 139 78.554 46.023 80.145 1.00 0.00 ATOM 1028 CA PRO 139 79.095 44.686 79.890 1.00 0.00 ATOM 1029 CB PRO 139 79.946 44.880 78.633 1.00 0.00 ATOM 1030 CG PRO 139 79.326 46.020 77.936 1.00 0.00 ATOM 1031 CD PRO 139 78.814 46.937 79.018 1.00 0.00 ATOM 1032 O PRO 139 80.756 44.952 81.587 1.00 0.00 ATOM 1033 C PRO 139 79.966 44.187 81.025 1.00 0.00 ATOM 1034 N GLY 140 79.803 42.912 81.363 1.00 0.00 ATOM 1035 CA GLY 140 80.564 42.283 82.439 1.00 0.00 ATOM 1036 O GLY 140 80.717 42.254 84.817 1.00 0.00 ATOM 1037 C GLY 140 80.053 42.588 83.836 1.00 0.00 ATOM 1038 N LYS 141 78.875 43.206 83.938 1.00 0.00 ATOM 1039 CA LYS 141 78.305 43.566 85.240 1.00 0.00 ATOM 1040 CB LYS 141 77.025 44.400 85.094 1.00 0.00 ATOM 1041 CG LYS 141 75.861 43.700 84.394 1.00 0.00 ATOM 1042 CD LYS 141 74.648 44.599 84.303 1.00 0.00 ATOM 1043 CE LYS 141 73.488 43.882 83.655 1.00 0.00 ATOM 1044 NZ LYS 141 72.245 44.687 83.757 1.00 0.00 ATOM 1045 O LYS 141 78.160 42.436 87.335 1.00 0.00 ATOM 1046 C LYS 141 78.016 42.360 86.121 1.00 0.00 ATOM 1047 N GLU 142 77.622 41.247 85.514 1.00 0.00 ATOM 1048 CA GLU 142 77.288 40.047 86.281 1.00 0.00 ATOM 1049 CB GLU 142 76.579 38.984 85.433 1.00 0.00 ATOM 1050 CG GLU 142 75.252 39.445 84.812 1.00 0.00 ATOM 1051 CD GLU 142 75.403 40.255 83.529 1.00 0.00 ATOM 1052 OE1 GLU 142 76.550 40.524 83.088 1.00 0.00 ATOM 1053 OE2 GLU 142 74.354 40.627 82.961 1.00 0.00 ATOM 1054 O GLU 142 78.530 39.113 88.105 1.00 0.00 ATOM 1055 C GLU 142 78.548 39.481 86.932 1.00 0.00 ATOM 1056 N ARG 143 79.639 39.436 86.171 1.00 0.00 ATOM 1057 CA ARG 143 80.921 38.958 86.677 1.00 0.00 ATOM 1058 CB ARG 143 81.989 39.064 85.587 1.00 0.00 ATOM 1059 CG ARG 143 83.414 38.710 86.020 1.00 0.00 ATOM 1060 CD ARG 143 84.406 38.925 84.884 1.00 0.00 ATOM 1061 NE ARG 143 84.082 38.104 83.722 1.00 0.00 ATOM 1062 CZ ARG 143 84.403 36.817 83.586 1.00 0.00 ATOM 1063 NH1 ARG 143 85.058 36.161 84.545 1.00 0.00 ATOM 1064 NH2 ARG 143 84.040 36.160 82.482 1.00 0.00 ATOM 1065 O ARG 143 81.745 39.215 88.897 1.00 0.00 ATOM 1066 C ARG 143 81.371 39.775 87.876 1.00 0.00 ATOM 1067 N MET 144 81.340 41.098 87.729 1.00 0.00 ATOM 1068 CA MET 144 81.764 42.017 88.782 1.00 0.00 ATOM 1069 CB MET 144 81.771 43.461 88.270 1.00 0.00 ATOM 1070 CG MET 144 82.878 43.761 87.278 1.00 0.00 ATOM 1071 SD MET 144 82.978 45.658 86.778 1.00 0.00 ATOM 1072 CE MET 144 81.425 45.763 85.592 1.00 0.00 ATOM 1073 O MET 144 81.432 41.876 91.153 1.00 0.00 ATOM 1074 C MET 144 80.905 41.937 90.043 1.00 0.00 ATOM 1075 N MET 145 79.589 41.941 89.871 1.00 0.00 ATOM 1076 CA MET 145 78.684 41.869 91.013 1.00 0.00 ATOM 1077 CB MET 145 77.234 42.015 90.586 1.00 0.00 ATOM 1078 CG MET 145 76.854 43.422 90.193 1.00 0.00 ATOM 1079 SD MET 145 74.972 43.517 89.708 1.00 0.00 ATOM 1080 CE MET 145 74.907 42.259 88.203 1.00 0.00 ATOM 1081 O MET 145 78.766 40.611 93.032 1.00 0.00 ATOM 1082 C MET 145 78.836 40.585 91.806 1.00 0.00 ATOM 1083 N GLU 146 79.039 39.464 91.117 1.00 0.00 ATOM 1084 CA GLU 146 79.212 38.187 91.808 1.00 0.00 ATOM 1085 CB GLU 146 79.150 37.011 90.836 1.00 0.00 ATOM 1086 CG GLU 146 79.518 35.685 91.478 1.00 0.00 ATOM 1087 CD GLU 146 79.080 34.506 90.661 1.00 0.00 ATOM 1088 OE1 GLU 146 77.863 34.374 90.440 1.00 0.00 ATOM 1089 OE2 GLU 146 79.946 33.694 90.275 1.00 0.00 ATOM 1090 O GLU 146 80.520 37.707 93.758 1.00 0.00 ATOM 1091 C GLU 146 80.508 38.170 92.619 1.00 0.00 ATOM 1092 N VAL 147 81.590 38.673 92.036 1.00 0.00 ATOM 1093 CA VAL 147 82.852 38.758 92.753 1.00 0.00 ATOM 1094 CB VAL 147 83.986 39.278 91.843 1.00 0.00 ATOM 1095 CG1 VAL 147 85.210 39.693 92.651 1.00 0.00 ATOM 1096 CG2 VAL 147 84.353 38.219 90.825 1.00 0.00 ATOM 1097 O VAL 147 83.078 39.322 95.074 1.00 0.00 ATOM 1098 C VAL 147 82.677 39.670 93.968 1.00 0.00 ATOM 1099 N ALA 148 82.057 40.824 93.751 1.00 0.00 ATOM 1100 CA ALA 148 81.828 41.796 94.810 1.00 0.00 ATOM 1101 CB ALA 148 81.071 42.996 94.259 1.00 0.00 ATOM 1102 O ALA 148 81.475 41.381 97.131 1.00 0.00 ATOM 1103 C ALA 148 81.067 41.214 95.988 1.00 0.00 ATOM 1104 N ILE 149 79.976 40.516 95.704 1.00 0.00 ATOM 1105 CA ILE 149 79.138 39.969 96.762 1.00 0.00 ATOM 1106 CB ILE 149 77.701 39.613 96.246 1.00 0.00 ATOM 1107 CG1 ILE 149 76.672 39.770 97.358 1.00 0.00 ATOM 1108 CG2 ILE 149 77.628 38.232 95.608 1.00 0.00 ATOM 1109 CD1 ILE 149 76.306 41.215 97.640 1.00 0.00 ATOM 1110 O ILE 149 79.674 38.657 98.693 1.00 0.00 ATOM 1111 C ILE 149 79.811 38.791 97.479 1.00 0.00 ATOM 1112 N ASP 150 80.543 37.957 96.743 1.00 0.00 ATOM 1113 CA ASP 150 81.238 36.824 97.356 1.00 0.00 ATOM 1114 CB ASP 150 81.781 35.856 96.299 1.00 0.00 ATOM 1115 CG ASP 150 80.673 35.119 95.546 1.00 0.00 ATOM 1116 OD1 ASP 150 79.499 35.193 95.969 1.00 0.00 ATOM 1117 OD2 ASP 150 80.982 34.459 94.526 1.00 0.00 ATOM 1118 O ASP 150 82.519 36.757 99.367 1.00 0.00 ATOM 1119 C ASP 150 82.361 37.293 98.272 1.00 0.00 ATOM 1120 N ARG 151 83.120 38.298 97.836 1.00 0.00 ATOM 1121 CA ARG 151 84.211 38.849 98.638 1.00 0.00 ATOM 1122 CB ARG 151 85.095 39.764 97.775 1.00 0.00 ATOM 1123 CG ARG 151 85.936 39.049 96.703 1.00 0.00 ATOM 1124 CD ARG 151 86.786 37.916 97.269 1.00 0.00 ATOM 1125 NE ARG 151 87.585 38.343 98.417 1.00 0.00 ATOM 1126 CZ ARG 151 88.259 37.538 99.234 1.00 0.00 ATOM 1127 NH1 ARG 151 88.250 36.221 99.080 1.00 0.00 ATOM 1128 NH2 ARG 151 88.940 38.064 100.239 1.00 0.00 ATOM 1129 O ARG 151 84.271 39.443 100.967 1.00 0.00 ATOM 1130 C ARG 151 83.707 39.600 99.880 1.00 0.00 ATOM 1131 N ILE 152 82.656 40.407 99.723 1.00 0.00 ATOM 1132 CA ILE 152 82.074 41.115 100.866 1.00 0.00 ATOM 1133 CB ILE 152 80.878 42.022 100.463 1.00 0.00 ATOM 1134 CG1 ILE 152 81.385 43.248 99.700 1.00 0.00 ATOM 1135 CG2 ILE 152 80.111 42.512 101.702 1.00 0.00 ATOM 1136 CD1 ILE 152 80.292 44.093 99.077 1.00 0.00 ATOM 1137 O ILE 152 81.842 40.370 103.122 1.00 0.00 ATOM 1138 C ILE 152 81.678 40.100 101.950 1.00 0.00 ATOM 1139 N ALA 153 81.202 38.918 101.565 1.00 0.00 ATOM 1140 CA ALA 153 80.825 37.885 102.544 1.00 0.00 ATOM 1141 CB ALA 153 79.907 36.860 101.898 1.00 0.00 ATOM 1142 O ALA 153 82.082 36.960 104.374 1.00 0.00 ATOM 1143 C ALA 153 82.042 37.184 103.164 1.00 0.00 ATOM 1144 N GLN 154 83.021 36.834 102.331 1.00 0.00 ATOM 1145 CA GLN 154 84.236 36.146 102.794 1.00 0.00 ATOM 1146 CB GLN 154 85.038 35.614 101.601 1.00 0.00 ATOM 1147 CG GLN 154 84.348 34.440 100.904 1.00 0.00 ATOM 1148 CD GLN 154 84.817 34.200 99.468 1.00 0.00 ATOM 1149 OE1 GLN 154 85.761 34.824 98.987 1.00 0.00 ATOM 1150 NE2 GLN 154 84.133 33.298 98.774 1.00 0.00 ATOM 1151 O GLN 154 85.659 36.535 104.673 1.00 0.00 ATOM 1152 C GLN 154 85.104 37.026 103.693 1.00 0.00 ATOM 1153 N LEU 155 85.222 38.311 103.357 1.00 0.00 ATOM 1154 CA LEU 155 85.970 39.270 104.182 1.00 0.00 ATOM 1155 CB LEU 155 86.175 40.602 103.449 1.00 0.00 ATOM 1156 CG LEU 155 87.133 40.573 102.251 1.00 0.00 ATOM 1157 CD1 LEU 155 87.006 41.836 101.388 1.00 0.00 ATOM 1158 CD2 LEU 155 88.576 40.365 102.712 1.00 0.00 ATOM 1159 O LEU 155 85.910 39.688 106.541 1.00 0.00 ATOM 1160 C LEU 155 85.257 39.512 105.514 1.00 0.00 ATOM 1161 N GLY 156 83.922 39.517 105.490 1.00 0.00 ATOM 1162 CA GLY 156 83.109 39.691 106.699 1.00 0.00 ATOM 1163 O GLY 156 82.874 38.636 108.832 1.00 0.00 ATOM 1164 C GLY 156 83.170 38.498 107.644 1.00 0.00 ATOM 1165 N ALA 157 83.540 37.329 107.107 1.00 0.00 ATOM 1166 CA ALA 157 83.695 36.091 107.879 1.00 0.00 ATOM 1167 CB ALA 157 82.891 34.963 107.240 1.00 0.00 ATOM 1168 O ALA 157 85.884 36.095 108.878 1.00 0.00 ATOM 1169 C ALA 157 85.173 35.709 107.948 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 T0368.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.532 # GDT_score = -41.186 # GDT_score(maxd=8.000,maxw=2.900)= -41.819 # GDT_score(maxd=8.000,maxw=3.200)= -40.930 # GDT_score(maxd=8.000,maxw=3.500)= -39.779 # GDT_score(maxd=10.000,maxw=3.800)= -40.647 # GDT_score(maxd=10.000,maxw=4.000)= -39.835 # GDT_score(maxd=10.000,maxw=4.200)= -38.857 # GDT_score(maxd=12.000,maxw=4.300)= -40.344 # GDT_score(maxd=12.000,maxw=4.500)= -39.370 # GDT_score(maxd=12.000,maxw=4.700)= -38.319 # GDT_score(maxd=14.000,maxw=5.200)= -37.523 # GDT_score(maxd=14.000,maxw=5.500)= -36.071 # command:# ReadConformPDB reading from PDB file T0368.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.731 # GDT_score = -48.558 # GDT_score(maxd=8.000,maxw=2.900)= -49.183 # GDT_score(maxd=8.000,maxw=3.200)= -47.060 # GDT_score(maxd=8.000,maxw=3.500)= -45.005 # GDT_score(maxd=10.000,maxw=3.800)= -47.306 # GDT_score(maxd=10.000,maxw=4.000)= -46.040 # GDT_score(maxd=10.000,maxw=4.200)= -44.814 # GDT_score(maxd=12.000,maxw=4.300)= -47.452 # GDT_score(maxd=12.000,maxw=4.500)= -46.220 # GDT_score(maxd=12.000,maxw=4.700)= -44.972 # GDT_score(maxd=14.000,maxw=5.200)= -44.580 # GDT_score(maxd=14.000,maxw=5.500)= -42.854 # command:# ReadConformPDB reading from PDB file T0368.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0368.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0368.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0368 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 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../refine.model1.ts-submitted looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model2.ts-submitted looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model3.ts-submitted looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model4.ts-submitted looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../refine.model5.ts-submitted looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try10-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try10-opt1.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try10-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 168 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try10-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 168 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try10-opt2.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try10-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try11-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try11-opt1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try11-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try11-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try11-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try11-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try12-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try12-opt1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try12-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try12-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try12-opt2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try12-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 T0368.try13-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try13-opt1.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try13-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try13-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try13-opt2.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try13-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try14-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try14-opt1.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try14-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try14-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try14-opt2.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try14-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try15-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try15-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try15-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try15-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try15-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try15-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try16-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try16-opt1.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try16-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try16-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try16-opt2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try16-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 T0368.try17-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try17-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try17-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try17-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try17-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try17-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try18-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try18-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try18-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try18-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try18-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try18-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try19-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try19-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try19-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try19-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try19-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try19-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try2-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try20-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try20-opt1.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try20-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try20-opt2.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try20-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try21-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try21-opt1.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try21-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try21-opt2.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try22-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try22-opt1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try22-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try22-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try22-opt2.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try22-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try23-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try23-opt1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try23-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try23-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try23-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try23-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try24-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try24-opt1.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try24-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try24-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try24-opt2.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try24-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 156 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try25-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try25-opt1.pdb.gz looking for model 1 # Found a chain break before 44 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try25-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try25-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try25-opt2.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try25-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try26-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try26-opt1.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try26-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try26-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try26-opt2.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try26-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 158 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try3-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try3-opt1.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try3-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try3-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try3-opt2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try3-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try30-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try30-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try30-opt2.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try30-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try31-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try31-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try31-opt2.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try31-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try32-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try32-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try32-opt2.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try32-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try33-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try33-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try33-opt2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try33-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try34-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try34-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try34-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try34-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try34-opt2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try34-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 T0368.try35-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try35-opt1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try35-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try35-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try35-opt2.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try35-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try4-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try4-opt1.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try4-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try4-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try4-opt2.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try4-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 171 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try5-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try5-opt1.pdb.gz looking for model 1 # Found a chain break before 155 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try5-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try5-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try5-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try5-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try6-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try6-opt1.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try6-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try6-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try6-opt2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try6-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 T0368.try7-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try7-opt1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try7-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try7-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try7-opt2.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try7-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 T0368.try8-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try8-opt1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try8-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try8-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try8-opt2.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try8-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try9-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try9-opt1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try9-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try9-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 165 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try9-opt2.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0368.try9-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr368.gromacs0.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr368.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 160 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr368.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr368.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file tr368.with.ligand.renum.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1191309702.pdb -s /var/tmp/to_scwrl_1191309702.seq -o /var/tmp/from_scwrl_1191309702.pdb > /var/tmp/scwrl_1191309702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1191309702.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 T0368 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1867174007.pdb -s /var/tmp/to_scwrl_1867174007.seq -o /var/tmp/from_scwrl_1867174007.pdb > /var/tmp/scwrl_1867174007.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1867174007.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 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_632354095.pdb -s /var/tmp/to_scwrl_632354095.seq -o /var/tmp/from_scwrl_632354095.pdb > /var/tmp/scwrl_632354095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_632354095.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 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_122261733.pdb -s /var/tmp/to_scwrl_122261733.seq -o /var/tmp/from_scwrl_122261733.pdb > /var/tmp/scwrl_122261733.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_122261733.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 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1074386312.pdb -s /var/tmp/to_scwrl_1074386312.seq -o /var/tmp/from_scwrl_1074386312.pdb > /var/tmp/scwrl_1074386312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1074386312.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 T0368 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1505470521.pdb -s /var/tmp/to_scwrl_1505470521.seq -o /var/tmp/from_scwrl_1505470521.pdb > /var/tmp/scwrl_1505470521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1505470521.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 T0368 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1273683283.pdb -s /var/tmp/to_scwrl_1273683283.seq -o /var/tmp/from_scwrl_1273683283.pdb > /var/tmp/scwrl_1273683283.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1273683283.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 T0368 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1653497043.pdb -s /var/tmp/to_scwrl_1653497043.seq -o /var/tmp/from_scwrl_1653497043.pdb > /var/tmp/scwrl_1653497043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1653497043.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 T0368 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1034941147.pdb -s /var/tmp/to_scwrl_1034941147.seq -o /var/tmp/from_scwrl_1034941147.pdb > /var/tmp/scwrl_1034941147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1034941147.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 T0368 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_166095902.pdb -s /var/tmp/to_scwrl_166095902.seq -o /var/tmp/from_scwrl_166095902.pdb > /var/tmp/scwrl_166095902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_166095902.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 T0368 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_706663709.pdb -s /var/tmp/to_scwrl_706663709.seq -o /var/tmp/from_scwrl_706663709.pdb > /var/tmp/scwrl_706663709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_706663709.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 T0368 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_95342949.pdb -s /var/tmp/to_scwrl_95342949.seq -o /var/tmp/from_scwrl_95342949.pdb > /var/tmp/scwrl_95342949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_95342949.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 T0368 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1436863603.pdb -s /var/tmp/to_scwrl_1436863603.seq -o /var/tmp/from_scwrl_1436863603.pdb > /var/tmp/scwrl_1436863603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1436863603.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 T0368 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1936426674.pdb -s /var/tmp/to_scwrl_1936426674.seq -o /var/tmp/from_scwrl_1936426674.pdb > /var/tmp/scwrl_1936426674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1936426674.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 T0368 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1741320288.pdb -s /var/tmp/to_scwrl_1741320288.seq -o /var/tmp/from_scwrl_1741320288.pdb > /var/tmp/scwrl_1741320288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741320288.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 132 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1768396430.pdb -s /var/tmp/to_scwrl_1768396430.seq -o /var/tmp/from_scwrl_1768396430.pdb > /var/tmp/scwrl_1768396430.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1768396430.pdb # conformation set from SCWRL output # naming current conformation 3Dpro_TS1-scwrl # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1348195146.pdb -s /var/tmp/to_scwrl_1348195146.seq -o /var/tmp/from_scwrl_1348195146.pdb > /var/tmp/scwrl_1348195146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1348195146.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 172 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1031343689.pdb -s /var/tmp/to_scwrl_1031343689.seq -o /var/tmp/from_scwrl_1031343689.pdb > /var/tmp/scwrl_1031343689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031343689.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 143 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_351543797.pdb -s /var/tmp/to_scwrl_351543797.seq -o /var/tmp/from_scwrl_351543797.pdb > /var/tmp/scwrl_351543797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_351543797.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 171 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_677314062.pdb -s /var/tmp/to_scwrl_677314062.seq -o /var/tmp/from_scwrl_677314062.pdb > /var/tmp/scwrl_677314062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_677314062.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 173 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_352435849.pdb -s /var/tmp/to_scwrl_352435849.seq -o /var/tmp/from_scwrl_352435849.pdb > /var/tmp/scwrl_352435849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_352435849.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 168 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1769844655.pdb -s /var/tmp/to_scwrl_1769844655.seq -o /var/tmp/from_scwrl_1769844655.pdb > /var/tmp/scwrl_1769844655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769844655.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 173 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1651917024.pdb -s /var/tmp/to_scwrl_1651917024.seq -o /var/tmp/from_scwrl_1651917024.pdb > /var/tmp/scwrl_1651917024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1651917024.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 161 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_951749473.pdb -s /var/tmp/to_scwrl_951749473.seq -o /var/tmp/from_scwrl_951749473.pdb > /var/tmp/scwrl_951749473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951749473.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 158 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1482032582.pdb -s /var/tmp/to_scwrl_1482032582.seq -o /var/tmp/from_scwrl_1482032582.pdb > /var/tmp/scwrl_1482032582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1482032582.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 162 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1847190775.pdb -s /var/tmp/to_scwrl_1847190775.seq -o /var/tmp/from_scwrl_1847190775.pdb > /var/tmp/scwrl_1847190775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1847190775.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 163 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1970095753.pdb -s /var/tmp/to_scwrl_1970095753.seq -o /var/tmp/from_scwrl_1970095753.pdb > /var/tmp/scwrl_1970095753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1970095753.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 139 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_557784364.pdb -s /var/tmp/to_scwrl_557784364.seq -o /var/tmp/from_scwrl_557784364.pdb > /var/tmp/scwrl_557784364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_557784364.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 164 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_724189122.pdb -s /var/tmp/to_scwrl_724189122.seq -o /var/tmp/from_scwrl_724189122.pdb > /var/tmp/scwrl_724189122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_724189122.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 163 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_592888104.pdb -s /var/tmp/to_scwrl_592888104.seq -o /var/tmp/from_scwrl_592888104.pdb > /var/tmp/scwrl_592888104.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_592888104.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 168 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_346691712.pdb -s /var/tmp/to_scwrl_346691712.seq -o /var/tmp/from_scwrl_346691712.pdb > /var/tmp/scwrl_346691712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_346691712.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 173 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1915498824.pdb -s /var/tmp/to_scwrl_1915498824.seq -o /var/tmp/from_scwrl_1915498824.pdb > /var/tmp/scwrl_1915498824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1915498824.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 165 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_312578464.pdb -s /var/tmp/to_scwrl_312578464.seq -o /var/tmp/from_scwrl_312578464.pdb > /var/tmp/scwrl_312578464.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_312578464.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 T0368 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_979045807.pdb -s /var/tmp/to_scwrl_979045807.seq -o /var/tmp/from_scwrl_979045807.pdb > /var/tmp/scwrl_979045807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_979045807.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 T0368 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2037760558.pdb -s /var/tmp/to_scwrl_2037760558.seq -o /var/tmp/from_scwrl_2037760558.pdb > /var/tmp/scwrl_2037760558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2037760558.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 T0368 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1386964777.pdb -s /var/tmp/to_scwrl_1386964777.seq -o /var/tmp/from_scwrl_1386964777.pdb > /var/tmp/scwrl_1386964777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386964777.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 T0368 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_337032682.pdb -s /var/tmp/to_scwrl_337032682.seq -o /var/tmp/from_scwrl_337032682.pdb > /var/tmp/scwrl_337032682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_337032682.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 T0368 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1163960194.pdb -s /var/tmp/to_scwrl_1163960194.seq -o /var/tmp/from_scwrl_1163960194.pdb > /var/tmp/scwrl_1163960194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1163960194.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 T0368 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_892978174.pdb -s /var/tmp/to_scwrl_892978174.seq -o /var/tmp/from_scwrl_892978174.pdb > /var/tmp/scwrl_892978174.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_892978174.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 T0368 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1371973828.pdb -s /var/tmp/to_scwrl_1371973828.seq -o /var/tmp/from_scwrl_1371973828.pdb > /var/tmp/scwrl_1371973828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1371973828.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 T0368 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1330056097.pdb -s /var/tmp/to_scwrl_1330056097.seq -o /var/tmp/from_scwrl_1330056097.pdb > /var/tmp/scwrl_1330056097.log Error: can't open any of /var/tmp/from_scwrl_1330056097.pdb or /var/tmp/from_scwrl_1330056097_b.pdb or /var/tmp/from_scwrl_1330056097_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 T0368 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1599641882.pdb -s /var/tmp/to_scwrl_1599641882.seq -o /var/tmp/from_scwrl_1599641882.pdb > /var/tmp/scwrl_1599641882.log Error: can't open any of /var/tmp/from_scwrl_1599641882.pdb or /var/tmp/from_scwrl_1599641882_b.pdb or /var/tmp/from_scwrl_1599641882_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 T0368 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1467316777.pdb -s /var/tmp/to_scwrl_1467316777.seq -o /var/tmp/from_scwrl_1467316777.pdb > /var/tmp/scwrl_1467316777.log Error: can't open any of /var/tmp/from_scwrl_1467316777.pdb or /var/tmp/from_scwrl_1467316777_b.pdb or /var/tmp/from_scwrl_1467316777_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 T0368 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_619436054.pdb -s /var/tmp/to_scwrl_619436054.seq -o /var/tmp/from_scwrl_619436054.pdb > /var/tmp/scwrl_619436054.log Error: can't open any of /var/tmp/from_scwrl_619436054.pdb or /var/tmp/from_scwrl_619436054_b.pdb or /var/tmp/from_scwrl_619436054_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 T0368 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1388584910.pdb -s /var/tmp/to_scwrl_1388584910.seq -o /var/tmp/from_scwrl_1388584910.pdb > /var/tmp/scwrl_1388584910.log Error: can't open any of /var/tmp/from_scwrl_1388584910.pdb or /var/tmp/from_scwrl_1388584910_b.pdb or /var/tmp/from_scwrl_1388584910_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 165 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1061153420.pdb -s /var/tmp/to_scwrl_1061153420.seq -o /var/tmp/from_scwrl_1061153420.pdb > /var/tmp/scwrl_1061153420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061153420.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 T0368 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_240348837.pdb -s /var/tmp/to_scwrl_240348837.seq -o /var/tmp/from_scwrl_240348837.pdb > /var/tmp/scwrl_240348837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_240348837.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 T0368 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_589296410.pdb -s /var/tmp/to_scwrl_589296410.seq -o /var/tmp/from_scwrl_589296410.pdb > /var/tmp/scwrl_589296410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_589296410.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 T0368 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2092497108.pdb -s /var/tmp/to_scwrl_2092497108.seq -o /var/tmp/from_scwrl_2092497108.pdb > /var/tmp/scwrl_2092497108.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2092497108.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 T0368 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_591892634.pdb -s /var/tmp/to_scwrl_591892634.seq -o /var/tmp/from_scwrl_591892634.pdb > /var/tmp/scwrl_591892634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_591892634.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 171 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1266610471.pdb -s /var/tmp/to_scwrl_1266610471.seq -o /var/tmp/from_scwrl_1266610471.pdb > /var/tmp/scwrl_1266610471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1266610471.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 T0368 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_297449310.pdb -s /var/tmp/to_scwrl_297449310.seq -o /var/tmp/from_scwrl_297449310.pdb > /var/tmp/scwrl_297449310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_297449310.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_214253642.pdb -s /var/tmp/to_scwrl_214253642.seq -o /var/tmp/from_scwrl_214253642.pdb > /var/tmp/scwrl_214253642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214253642.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 168 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_771043849.pdb -s /var/tmp/to_scwrl_771043849.seq -o /var/tmp/from_scwrl_771043849.pdb > /var/tmp/scwrl_771043849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771043849.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 165 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1249198782.pdb -s /var/tmp/to_scwrl_1249198782.seq -o /var/tmp/from_scwrl_1249198782.pdb > /var/tmp/scwrl_1249198782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1249198782.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 138 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1696286224.pdb -s /var/tmp/to_scwrl_1696286224.seq -o /var/tmp/from_scwrl_1696286224.pdb > /var/tmp/scwrl_1696286224.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1696286224.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 138 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_470750977.pdb -s /var/tmp/to_scwrl_470750977.seq -o /var/tmp/from_scwrl_470750977.pdb > /var/tmp/scwrl_470750977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_470750977.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 163 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1071810889.pdb -s /var/tmp/to_scwrl_1071810889.seq -o /var/tmp/from_scwrl_1071810889.pdb > /var/tmp/scwrl_1071810889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1071810889.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 138 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_106586942.pdb -s /var/tmp/to_scwrl_106586942.seq -o /var/tmp/from_scwrl_106586942.pdb > /var/tmp/scwrl_106586942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_106586942.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 160 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1194940099.pdb -s /var/tmp/to_scwrl_1194940099.seq -o /var/tmp/from_scwrl_1194940099.pdb > /var/tmp/scwrl_1194940099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1194940099.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 T0368 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1664698992.pdb -s /var/tmp/to_scwrl_1664698992.seq -o /var/tmp/from_scwrl_1664698992.pdb > /var/tmp/scwrl_1664698992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1664698992.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 T0368 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_453278654.pdb -s /var/tmp/to_scwrl_453278654.seq -o /var/tmp/from_scwrl_453278654.pdb > /var/tmp/scwrl_453278654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_453278654.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 T0368 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_962955277.pdb -s /var/tmp/to_scwrl_962955277.seq -o /var/tmp/from_scwrl_962955277.pdb > /var/tmp/scwrl_962955277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_962955277.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 T0368 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1977277457.pdb -s /var/tmp/to_scwrl_1977277457.seq -o /var/tmp/from_scwrl_1977277457.pdb > /var/tmp/scwrl_1977277457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1977277457.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 T0368 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1432324460.pdb -s /var/tmp/to_scwrl_1432324460.seq -o /var/tmp/from_scwrl_1432324460.pdb > /var/tmp/scwrl_1432324460.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432324460.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 T0368 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_853232188.pdb -s /var/tmp/to_scwrl_853232188.seq -o /var/tmp/from_scwrl_853232188.pdb > /var/tmp/scwrl_853232188.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_853232188.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 T0368 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1216758587.pdb -s /var/tmp/to_scwrl_1216758587.seq -o /var/tmp/from_scwrl_1216758587.pdb > /var/tmp/scwrl_1216758587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1216758587.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 T0368 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1769357142.pdb -s /var/tmp/to_scwrl_1769357142.seq -o /var/tmp/from_scwrl_1769357142.pdb > /var/tmp/scwrl_1769357142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769357142.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 T0368 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2017192383.pdb -s /var/tmp/to_scwrl_2017192383.seq -o /var/tmp/from_scwrl_2017192383.pdb > /var/tmp/scwrl_2017192383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017192383.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 T0368 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2109736761.pdb -s /var/tmp/to_scwrl_2109736761.seq -o /var/tmp/from_scwrl_2109736761.pdb > /var/tmp/scwrl_2109736761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109736761.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 172 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_993847325.pdb -s /var/tmp/to_scwrl_993847325.seq -o /var/tmp/from_scwrl_993847325.pdb > /var/tmp/scwrl_993847325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_993847325.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS1-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1199764833.pdb -s /var/tmp/to_scwrl_1199764833.seq -o /var/tmp/from_scwrl_1199764833.pdb > /var/tmp/scwrl_1199764833.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1199764833.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS2-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1561894997.pdb -s /var/tmp/to_scwrl_1561894997.seq -o /var/tmp/from_scwrl_1561894997.pdb > /var/tmp/scwrl_1561894997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1561894997.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS3-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 162 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_313680455.pdb -s /var/tmp/to_scwrl_313680455.seq -o /var/tmp/from_scwrl_313680455.pdb > /var/tmp/scwrl_313680455.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_313680455.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS4-scwrl # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1819200887.pdb -s /var/tmp/to_scwrl_1819200887.seq -o /var/tmp/from_scwrl_1819200887.pdb > /var/tmp/scwrl_1819200887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1819200887.pdb # conformation set from SCWRL output # naming current conformation FPSOLVER-SERVER_TS5-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_802996261.pdb -s /var/tmp/to_scwrl_802996261.seq -o /var/tmp/from_scwrl_802996261.pdb > /var/tmp/scwrl_802996261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_802996261.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 162 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1374833874.pdb -s /var/tmp/to_scwrl_1374833874.seq -o /var/tmp/from_scwrl_1374833874.pdb > /var/tmp/scwrl_1374833874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1374833874.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS2-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2059549724.pdb -s /var/tmp/to_scwrl_2059549724.seq -o /var/tmp/from_scwrl_2059549724.pdb > /var/tmp/scwrl_2059549724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2059549724.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1392292670.pdb -s /var/tmp/to_scwrl_1392292670.seq -o /var/tmp/from_scwrl_1392292670.pdb > /var/tmp/scwrl_1392292670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392292670.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 116 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1319847336.pdb -s /var/tmp/to_scwrl_1319847336.seq -o /var/tmp/from_scwrl_1319847336.pdb > /var/tmp/scwrl_1319847336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319847336.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 T0368 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_503958712.pdb -s /var/tmp/to_scwrl_503958712.seq -o /var/tmp/from_scwrl_503958712.pdb > /var/tmp/scwrl_503958712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503958712.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 T0368 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_511419495.pdb -s /var/tmp/to_scwrl_511419495.seq -o /var/tmp/from_scwrl_511419495.pdb > /var/tmp/scwrl_511419495.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_511419495.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 T0368 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1617296646.pdb -s /var/tmp/to_scwrl_1617296646.seq -o /var/tmp/from_scwrl_1617296646.pdb > /var/tmp/scwrl_1617296646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1617296646.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 T0368 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_718212354.pdb -s /var/tmp/to_scwrl_718212354.seq -o /var/tmp/from_scwrl_718212354.pdb > /var/tmp/scwrl_718212354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_718212354.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 T0368 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1282463343.pdb -s /var/tmp/to_scwrl_1282463343.seq -o /var/tmp/from_scwrl_1282463343.pdb > /var/tmp/scwrl_1282463343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282463343.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_719011783.pdb -s /var/tmp/to_scwrl_719011783.seq -o /var/tmp/from_scwrl_719011783.pdb > /var/tmp/scwrl_719011783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_719011783.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 170 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_267014932.pdb -s /var/tmp/to_scwrl_267014932.seq -o /var/tmp/from_scwrl_267014932.pdb > /var/tmp/scwrl_267014932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_267014932.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 166 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1753214320.pdb -s /var/tmp/to_scwrl_1753214320.seq -o /var/tmp/from_scwrl_1753214320.pdb > /var/tmp/scwrl_1753214320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1753214320.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 170 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1790822671.pdb -s /var/tmp/to_scwrl_1790822671.seq -o /var/tmp/from_scwrl_1790822671.pdb > /var/tmp/scwrl_1790822671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1790822671.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 169 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_373601874.pdb -s /var/tmp/to_scwrl_373601874.seq -o /var/tmp/from_scwrl_373601874.pdb > /var/tmp/scwrl_373601874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_373601874.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 147 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_800670773.pdb -s /var/tmp/to_scwrl_800670773.seq -o /var/tmp/from_scwrl_800670773.pdb > /var/tmp/scwrl_800670773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_800670773.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 169 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1308038017.pdb -s /var/tmp/to_scwrl_1308038017.seq -o /var/tmp/from_scwrl_1308038017.pdb > /var/tmp/scwrl_1308038017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1308038017.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 62 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_826880528.pdb -s /var/tmp/to_scwrl_826880528.seq -o /var/tmp/from_scwrl_826880528.pdb > /var/tmp/scwrl_826880528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_826880528.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 170 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1763626050.pdb -s /var/tmp/to_scwrl_1763626050.seq -o /var/tmp/from_scwrl_1763626050.pdb > /var/tmp/scwrl_1763626050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763626050.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 138 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1137831827.pdb -s /var/tmp/to_scwrl_1137831827.seq -o /var/tmp/from_scwrl_1137831827.pdb > /var/tmp/scwrl_1137831827.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137831827.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 169 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_111721341.pdb -s /var/tmp/to_scwrl_111721341.seq -o /var/tmp/from_scwrl_111721341.pdb > /var/tmp/scwrl_111721341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_111721341.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 T0368 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_469374591.pdb -s /var/tmp/to_scwrl_469374591.seq -o /var/tmp/from_scwrl_469374591.pdb > /var/tmp/scwrl_469374591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_469374591.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_207106768.pdb -s /var/tmp/to_scwrl_207106768.seq -o /var/tmp/from_scwrl_207106768.pdb > /var/tmp/scwrl_207106768.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_207106768.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1881078484.pdb -s /var/tmp/to_scwrl_1881078484.seq -o /var/tmp/from_scwrl_1881078484.pdb > /var/tmp/scwrl_1881078484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1881078484.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 157 ; scwrl -i /var/tmp/to_scwrl_339083327.pdb -s /var/tmp/to_scwrl_339083327.seq -o /var/tmp/from_scwrl_339083327.pdb > /var/tmp/scwrl_339083327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_339083327.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 160 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_169359882.pdb -s /var/tmp/to_scwrl_169359882.seq -o /var/tmp/from_scwrl_169359882.pdb > /var/tmp/scwrl_169359882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_169359882.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 160 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_727442162.pdb -s /var/tmp/to_scwrl_727442162.seq -o /var/tmp/from_scwrl_727442162.pdb > /var/tmp/scwrl_727442162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_727442162.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 T0368 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1538848160.pdb -s /var/tmp/to_scwrl_1538848160.seq -o /var/tmp/from_scwrl_1538848160.pdb > /var/tmp/scwrl_1538848160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538848160.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 T0368 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1731254879.pdb -s /var/tmp/to_scwrl_1731254879.seq -o /var/tmp/from_scwrl_1731254879.pdb > /var/tmp/scwrl_1731254879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1731254879.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 T0368 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1041122617.pdb -s /var/tmp/to_scwrl_1041122617.seq -o /var/tmp/from_scwrl_1041122617.pdb > /var/tmp/scwrl_1041122617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1041122617.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 T0368 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1210565400.pdb -s /var/tmp/to_scwrl_1210565400.seq -o /var/tmp/from_scwrl_1210565400.pdb > /var/tmp/scwrl_1210565400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1210565400.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 T0368 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_386767493.pdb -s /var/tmp/to_scwrl_386767493.seq -o /var/tmp/from_scwrl_386767493.pdb > /var/tmp/scwrl_386767493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_386767493.pdb # conformation set from SCWRL output # naming current conformation Huber-Torda-Server_TS5-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_268472845.pdb -s /var/tmp/to_scwrl_268472845.seq -o /var/tmp/from_scwrl_268472845.pdb > /var/tmp/scwrl_268472845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_268472845.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 T0368 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1122631478.pdb -s /var/tmp/to_scwrl_1122631478.seq -o /var/tmp/from_scwrl_1122631478.pdb > /var/tmp/scwrl_1122631478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1122631478.pdb # conformation set from SCWRL output # naming current conformation LOOPP_TS2-scwrl # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1779060163.pdb -s /var/tmp/to_scwrl_1779060163.seq -o /var/tmp/from_scwrl_1779060163.pdb > /var/tmp/scwrl_1779060163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1779060163.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 T0368 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1588320181.pdb -s /var/tmp/to_scwrl_1588320181.seq -o /var/tmp/from_scwrl_1588320181.pdb > /var/tmp/scwrl_1588320181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1588320181.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 T0368 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1626590190.pdb -s /var/tmp/to_scwrl_1626590190.seq -o /var/tmp/from_scwrl_1626590190.pdb > /var/tmp/scwrl_1626590190.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1626590190.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 T0368 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_142996011.pdb -s /var/tmp/to_scwrl_142996011.seq -o /var/tmp/from_scwrl_142996011.pdb > /var/tmp/scwrl_142996011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142996011.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1058133181.pdb -s /var/tmp/to_scwrl_1058133181.seq -o /var/tmp/from_scwrl_1058133181.pdb > /var/tmp/scwrl_1058133181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1058133181.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_197318897.pdb -s /var/tmp/to_scwrl_197318897.seq -o /var/tmp/from_scwrl_197318897.pdb > /var/tmp/scwrl_197318897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_197318897.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 168 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1425459354.pdb -s /var/tmp/to_scwrl_1425459354.seq -o /var/tmp/from_scwrl_1425459354.pdb > /var/tmp/scwrl_1425459354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1425459354.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS3-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1777144963.pdb -s /var/tmp/to_scwrl_1777144963.seq -o /var/tmp/from_scwrl_1777144963.pdb > /var/tmp/scwrl_1777144963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1777144963.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 164 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_464333829.pdb -s /var/tmp/to_scwrl_464333829.seq -o /var/tmp/from_scwrl_464333829.pdb > /var/tmp/scwrl_464333829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_464333829.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1031190029.pdb -s /var/tmp/to_scwrl_1031190029.seq -o /var/tmp/from_scwrl_1031190029.pdb > /var/tmp/scwrl_1031190029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031190029.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 168 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1420483988.pdb -s /var/tmp/to_scwrl_1420483988.seq -o /var/tmp/from_scwrl_1420483988.pdb > /var/tmp/scwrl_1420483988.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1420483988.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 172 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_837935703.pdb -s /var/tmp/to_scwrl_837935703.seq -o /var/tmp/from_scwrl_837935703.pdb > /var/tmp/scwrl_837935703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_837935703.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 172 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1831860801.pdb -s /var/tmp/to_scwrl_1831860801.seq -o /var/tmp/from_scwrl_1831860801.pdb > /var/tmp/scwrl_1831860801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1831860801.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 157 ; scwrl -i /var/tmp/to_scwrl_581038359.pdb -s /var/tmp/to_scwrl_581038359.seq -o /var/tmp/from_scwrl_581038359.pdb > /var/tmp/scwrl_581038359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_581038359.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 173 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1664816230.pdb -s /var/tmp/to_scwrl_1664816230.seq -o /var/tmp/from_scwrl_1664816230.pdb > /var/tmp/scwrl_1664816230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1664816230.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 173 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1448003204.pdb -s /var/tmp/to_scwrl_1448003204.seq -o /var/tmp/from_scwrl_1448003204.pdb > /var/tmp/scwrl_1448003204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1448003204.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS2-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 117 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1718870186.pdb -s /var/tmp/to_scwrl_1718870186.seq -o /var/tmp/from_scwrl_1718870186.pdb > /var/tmp/scwrl_1718870186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718870186.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS3-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1776537572.pdb -s /var/tmp/to_scwrl_1776537572.seq -o /var/tmp/from_scwrl_1776537572.pdb > /var/tmp/scwrl_1776537572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1776537572.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS4-scwrl # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1917377796.pdb -s /var/tmp/to_scwrl_1917377796.seq -o /var/tmp/from_scwrl_1917377796.pdb > /var/tmp/scwrl_1917377796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1917377796.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS5-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1925976954.pdb -s /var/tmp/to_scwrl_1925976954.seq -o /var/tmp/from_scwrl_1925976954.pdb > /var/tmp/scwrl_1925976954.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925976954.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 167 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1510132409.pdb -s /var/tmp/to_scwrl_1510132409.seq -o /var/tmp/from_scwrl_1510132409.pdb > /var/tmp/scwrl_1510132409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1510132409.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS1-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_108977476.pdb -s /var/tmp/to_scwrl_108977476.seq -o /var/tmp/from_scwrl_108977476.pdb > /var/tmp/scwrl_108977476.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_108977476.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS2-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2095336836.pdb -s /var/tmp/to_scwrl_2095336836.seq -o /var/tmp/from_scwrl_2095336836.pdb > /var/tmp/scwrl_2095336836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2095336836.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS3-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_90090924.pdb -s /var/tmp/to_scwrl_90090924.seq -o /var/tmp/from_scwrl_90090924.pdb > /var/tmp/scwrl_90090924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_90090924.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS4-scwrl # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1647825637.pdb -s /var/tmp/to_scwrl_1647825637.seq -o /var/tmp/from_scwrl_1647825637.pdb > /var/tmp/scwrl_1647825637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1647825637.pdb # conformation set from SCWRL output # naming current conformation POMYSL_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1679108069.pdb -s /var/tmp/to_scwrl_1679108069.seq -o /var/tmp/from_scwrl_1679108069.pdb > /var/tmp/scwrl_1679108069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1679108069.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 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1131213540.pdb -s /var/tmp/to_scwrl_1131213540.seq -o /var/tmp/from_scwrl_1131213540.pdb > /var/tmp/scwrl_1131213540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1131213540.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 # Found a chain break before 170 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_710907391.pdb -s /var/tmp/to_scwrl_710907391.seq -o /var/tmp/from_scwrl_710907391.pdb > /var/tmp/scwrl_710907391.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_710907391.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 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2065875562.pdb -s /var/tmp/to_scwrl_2065875562.seq -o /var/tmp/from_scwrl_2065875562.pdb > /var/tmp/scwrl_2065875562.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2065875562.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 157 ; scwrl -i /var/tmp/to_scwrl_1399686385.pdb -s /var/tmp/to_scwrl_1399686385.seq -o /var/tmp/from_scwrl_1399686385.pdb > /var/tmp/scwrl_1399686385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1399686385.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 157 ; scwrl -i /var/tmp/to_scwrl_1833538869.pdb -s /var/tmp/to_scwrl_1833538869.seq -o /var/tmp/from_scwrl_1833538869.pdb > /var/tmp/scwrl_1833538869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1833538869.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1697452079.pdb -s /var/tmp/to_scwrl_1697452079.seq -o /var/tmp/from_scwrl_1697452079.pdb > /var/tmp/scwrl_1697452079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697452079.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_840522920.pdb -s /var/tmp/to_scwrl_840522920.seq -o /var/tmp/from_scwrl_840522920.pdb > /var/tmp/scwrl_840522920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_840522920.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 12 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1312645412.pdb -s /var/tmp/to_scwrl_1312645412.seq -o /var/tmp/from_scwrl_1312645412.pdb > /var/tmp/scwrl_1312645412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1312645412.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS4-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1840448090.pdb -s /var/tmp/to_scwrl_1840448090.seq -o /var/tmp/from_scwrl_1840448090.pdb > /var/tmp/scwrl_1840448090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1840448090.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 T0368 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1898656101.pdb -s /var/tmp/to_scwrl_1898656101.seq -o /var/tmp/from_scwrl_1898656101.pdb > /var/tmp/scwrl_1898656101.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1898656101.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 T0368 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1509964310.pdb -s /var/tmp/to_scwrl_1509964310.seq -o /var/tmp/from_scwrl_1509964310.pdb > /var/tmp/scwrl_1509964310.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1509964310.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 T0368 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1118423798.pdb -s /var/tmp/to_scwrl_1118423798.seq -o /var/tmp/from_scwrl_1118423798.pdb > /var/tmp/scwrl_1118423798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1118423798.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 T0368 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1528317417.pdb -s /var/tmp/to_scwrl_1528317417.seq -o /var/tmp/from_scwrl_1528317417.pdb > /var/tmp/scwrl_1528317417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528317417.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 T0368 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1974298139.pdb -s /var/tmp/to_scwrl_1974298139.seq -o /var/tmp/from_scwrl_1974298139.pdb > /var/tmp/scwrl_1974298139.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1974298139.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 T0368 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2130180.pdb -s /var/tmp/to_scwrl_2130180.seq -o /var/tmp/from_scwrl_2130180.pdb > /var/tmp/scwrl_2130180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2130180.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_801317759.pdb -s /var/tmp/to_scwrl_801317759.seq -o /var/tmp/from_scwrl_801317759.pdb > /var/tmp/scwrl_801317759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_801317759.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 T0368 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 157 ; scwrl -i /var/tmp/to_scwrl_664750196.pdb -s /var/tmp/to_scwrl_664750196.seq -o /var/tmp/from_scwrl_664750196.pdb > /var/tmp/scwrl_664750196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_664750196.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 T0368 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 157 ; scwrl -i /var/tmp/to_scwrl_1833990981.pdb -s /var/tmp/to_scwrl_1833990981.seq -o /var/tmp/from_scwrl_1833990981.pdb > /var/tmp/scwrl_1833990981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1833990981.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 T0368 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 157 ; scwrl -i /var/tmp/to_scwrl_1382356117.pdb -s /var/tmp/to_scwrl_1382356117.seq -o /var/tmp/from_scwrl_1382356117.pdb > /var/tmp/scwrl_1382356117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1382356117.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 T0368 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 157 ; scwrl -i /var/tmp/to_scwrl_182082779.pdb -s /var/tmp/to_scwrl_182082779.seq -o /var/tmp/from_scwrl_182082779.pdb > /var/tmp/scwrl_182082779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_182082779.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1134510539.pdb -s /var/tmp/to_scwrl_1134510539.seq -o /var/tmp/from_scwrl_1134510539.pdb > /var/tmp/scwrl_1134510539.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1134510539.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_953742657.pdb -s /var/tmp/to_scwrl_953742657.seq -o /var/tmp/from_scwrl_953742657.pdb > /var/tmp/scwrl_953742657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_953742657.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 T0368 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1958620351.pdb -s /var/tmp/to_scwrl_1958620351.seq -o /var/tmp/from_scwrl_1958620351.pdb > /var/tmp/scwrl_1958620351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1958620351.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 T0368 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_904404689.pdb -s /var/tmp/to_scwrl_904404689.seq -o /var/tmp/from_scwrl_904404689.pdb > /var/tmp/scwrl_904404689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_904404689.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_732235964.pdb -s /var/tmp/to_scwrl_732235964.seq -o /var/tmp/from_scwrl_732235964.pdb > /var/tmp/scwrl_732235964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732235964.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS5-scwrl # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1321269113.pdb -s /var/tmp/to_scwrl_1321269113.seq -o /var/tmp/from_scwrl_1321269113.pdb > /var/tmp/scwrl_1321269113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1321269113.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 138 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1013382165.pdb -s /var/tmp/to_scwrl_1013382165.seq -o /var/tmp/from_scwrl_1013382165.pdb > /var/tmp/scwrl_1013382165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1013382165.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 163 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_680089154.pdb -s /var/tmp/to_scwrl_680089154.seq -o /var/tmp/from_scwrl_680089154.pdb > /var/tmp/scwrl_680089154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_680089154.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 164 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1411360037.pdb -s /var/tmp/to_scwrl_1411360037.seq -o /var/tmp/from_scwrl_1411360037.pdb > /var/tmp/scwrl_1411360037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411360037.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 149 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_513724155.pdb -s /var/tmp/to_scwrl_513724155.seq -o /var/tmp/from_scwrl_513724155.pdb > /var/tmp/scwrl_513724155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_513724155.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 151 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_211713576.pdb -s /var/tmp/to_scwrl_211713576.seq -o /var/tmp/from_scwrl_211713576.pdb > /var/tmp/scwrl_211713576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_211713576.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 170 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_395089932.pdb -s /var/tmp/to_scwrl_395089932.seq -o /var/tmp/from_scwrl_395089932.pdb > /var/tmp/scwrl_395089932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_395089932.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 101 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1224631546.pdb -s /var/tmp/to_scwrl_1224631546.seq -o /var/tmp/from_scwrl_1224631546.pdb > /var/tmp/scwrl_1224631546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1224631546.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 172 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_130105491.pdb -s /var/tmp/to_scwrl_130105491.seq -o /var/tmp/from_scwrl_130105491.pdb > /var/tmp/scwrl_130105491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_130105491.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 172 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1794776317.pdb -s /var/tmp/to_scwrl_1794776317.seq -o /var/tmp/from_scwrl_1794776317.pdb > /var/tmp/scwrl_1794776317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1794776317.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 163 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_910686769.pdb -s /var/tmp/to_scwrl_910686769.seq -o /var/tmp/from_scwrl_910686769.pdb > /var/tmp/scwrl_910686769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_910686769.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 85 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1827557570.pdb -s /var/tmp/to_scwrl_1827557570.seq -o /var/tmp/from_scwrl_1827557570.pdb > /var/tmp/scwrl_1827557570.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1827557570.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 142 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_487815591.pdb -s /var/tmp/to_scwrl_487815591.seq -o /var/tmp/from_scwrl_487815591.pdb > /var/tmp/scwrl_487815591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_487815591.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 139 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_75848535.pdb -s /var/tmp/to_scwrl_75848535.seq -o /var/tmp/from_scwrl_75848535.pdb > /var/tmp/scwrl_75848535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_75848535.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 99 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1520522014.pdb -s /var/tmp/to_scwrl_1520522014.seq -o /var/tmp/from_scwrl_1520522014.pdb > /var/tmp/scwrl_1520522014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1520522014.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 151 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_238988045.pdb -s /var/tmp/to_scwrl_238988045.seq -o /var/tmp/from_scwrl_238988045.pdb > /var/tmp/scwrl_238988045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_238988045.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 148 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1585812845.pdb -s /var/tmp/to_scwrl_1585812845.seq -o /var/tmp/from_scwrl_1585812845.pdb > /var/tmp/scwrl_1585812845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1585812845.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_491462166.pdb -s /var/tmp/to_scwrl_491462166.seq -o /var/tmp/from_scwrl_491462166.pdb > /var/tmp/scwrl_491462166.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_491462166.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 157 ; scwrl -i /var/tmp/to_scwrl_1767305462.pdb -s /var/tmp/to_scwrl_1767305462.seq -o /var/tmp/from_scwrl_1767305462.pdb > /var/tmp/scwrl_1767305462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767305462.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 87 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1412627337.pdb -s /var/tmp/to_scwrl_1412627337.seq -o /var/tmp/from_scwrl_1412627337.pdb > /var/tmp/scwrl_1412627337.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1412627337.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 148 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_493592346.pdb -s /var/tmp/to_scwrl_493592346.seq -o /var/tmp/from_scwrl_493592346.pdb > /var/tmp/scwrl_493592346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493592346.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 138 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_421139575.pdb -s /var/tmp/to_scwrl_421139575.seq -o /var/tmp/from_scwrl_421139575.pdb > /var/tmp/scwrl_421139575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_421139575.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 148 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2077377533.pdb -s /var/tmp/to_scwrl_2077377533.seq -o /var/tmp/from_scwrl_2077377533.pdb > /var/tmp/scwrl_2077377533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2077377533.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 138 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_180099680.pdb -s /var/tmp/to_scwrl_180099680.seq -o /var/tmp/from_scwrl_180099680.pdb > /var/tmp/scwrl_180099680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_180099680.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 38 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1803495692.pdb -s /var/tmp/to_scwrl_1803495692.seq -o /var/tmp/from_scwrl_1803495692.pdb > /var/tmp/scwrl_1803495692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803495692.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 T0368 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_111976666.pdb -s /var/tmp/to_scwrl_111976666.seq -o /var/tmp/from_scwrl_111976666.pdb > /var/tmp/scwrl_111976666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_111976666.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 T0368 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1314610219.pdb -s /var/tmp/to_scwrl_1314610219.seq -o /var/tmp/from_scwrl_1314610219.pdb > /var/tmp/scwrl_1314610219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1314610219.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 T0368 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_609754703.pdb -s /var/tmp/to_scwrl_609754703.seq -o /var/tmp/from_scwrl_609754703.pdb > /var/tmp/scwrl_609754703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_609754703.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 T0368 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2070597017.pdb -s /var/tmp/to_scwrl_2070597017.seq -o /var/tmp/from_scwrl_2070597017.pdb > /var/tmp/scwrl_2070597017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2070597017.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 T0368 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_71531261.pdb -s /var/tmp/to_scwrl_71531261.seq -o /var/tmp/from_scwrl_71531261.pdb > /var/tmp/scwrl_71531261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71531261.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 T0368 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1341990666.pdb -s /var/tmp/to_scwrl_1341990666.seq -o /var/tmp/from_scwrl_1341990666.pdb > /var/tmp/scwrl_1341990666.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1341990666.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1244382484.pdb -s /var/tmp/to_scwrl_1244382484.seq -o /var/tmp/from_scwrl_1244382484.pdb > /var/tmp/scwrl_1244382484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1244382484.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 T0368 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1084913426.pdb -s /var/tmp/to_scwrl_1084913426.seq -o /var/tmp/from_scwrl_1084913426.pdb > /var/tmp/scwrl_1084913426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1084913426.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 170 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2022079820.pdb -s /var/tmp/to_scwrl_2022079820.seq -o /var/tmp/from_scwrl_2022079820.pdb > /var/tmp/scwrl_2022079820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2022079820.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 T0368 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_508258875.pdb -s /var/tmp/to_scwrl_508258875.seq -o /var/tmp/from_scwrl_508258875.pdb > /var/tmp/scwrl_508258875.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_508258875.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 T0368 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1598637581.pdb -s /var/tmp/to_scwrl_1598637581.seq -o /var/tmp/from_scwrl_1598637581.pdb > /var/tmp/scwrl_1598637581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598637581.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 T0368 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_86309749.pdb -s /var/tmp/to_scwrl_86309749.seq -o /var/tmp/from_scwrl_86309749.pdb > /var/tmp/scwrl_86309749.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_86309749.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 T0368 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_903348807.pdb -s /var/tmp/to_scwrl_903348807.seq -o /var/tmp/from_scwrl_903348807.pdb > /var/tmp/scwrl_903348807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903348807.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 169 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_675785481.pdb -s /var/tmp/to_scwrl_675785481.seq -o /var/tmp/from_scwrl_675785481.pdb > /var/tmp/scwrl_675785481.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_675785481.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 130 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_216415241.pdb -s /var/tmp/to_scwrl_216415241.seq -o /var/tmp/from_scwrl_216415241.pdb > /var/tmp/scwrl_216415241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_216415241.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 138 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_550641478.pdb -s /var/tmp/to_scwrl_550641478.seq -o /var/tmp/from_scwrl_550641478.pdb > /var/tmp/scwrl_550641478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_550641478.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 141 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1586472250.pdb -s /var/tmp/to_scwrl_1586472250.seq -o /var/tmp/from_scwrl_1586472250.pdb > /var/tmp/scwrl_1586472250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1586472250.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 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2043972811.pdb -s /var/tmp/to_scwrl_2043972811.seq -o /var/tmp/from_scwrl_2043972811.pdb > /var/tmp/scwrl_2043972811.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2043972811.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 131 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1038457069.pdb -s /var/tmp/to_scwrl_1038457069.seq -o /var/tmp/from_scwrl_1038457069.pdb > /var/tmp/scwrl_1038457069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1038457069.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 93 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1662320785.pdb -s /var/tmp/to_scwrl_1662320785.seq -o /var/tmp/from_scwrl_1662320785.pdb > /var/tmp/scwrl_1662320785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1662320785.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 146 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1417011178.pdb -s /var/tmp/to_scwrl_1417011178.seq -o /var/tmp/from_scwrl_1417011178.pdb > /var/tmp/scwrl_1417011178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417011178.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 130 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1277445113.pdb -s /var/tmp/to_scwrl_1277445113.seq -o /var/tmp/from_scwrl_1277445113.pdb > /var/tmp/scwrl_1277445113.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1277445113.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 128 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1100649983.pdb -s /var/tmp/to_scwrl_1100649983.seq -o /var/tmp/from_scwrl_1100649983.pdb > /var/tmp/scwrl_1100649983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1100649983.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 99 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1908473344.pdb -s /var/tmp/to_scwrl_1908473344.seq -o /var/tmp/from_scwrl_1908473344.pdb > /var/tmp/scwrl_1908473344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1908473344.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 157 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_897266929.pdb -s /var/tmp/to_scwrl_897266929.seq -o /var/tmp/from_scwrl_897266929.pdb > /var/tmp/scwrl_897266929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_897266929.pdb # conformation set from SCWRL output # naming current conformation SPARKS2_TS2-scwrl # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 172 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_365793674.pdb -s /var/tmp/to_scwrl_365793674.seq -o /var/tmp/from_scwrl_365793674.pdb > /var/tmp/scwrl_365793674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_365793674.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 157 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_254582043.pdb -s /var/tmp/to_scwrl_254582043.seq -o /var/tmp/from_scwrl_254582043.pdb > /var/tmp/scwrl_254582043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_254582043.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 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1318406503.pdb -s /var/tmp/to_scwrl_1318406503.seq -o /var/tmp/from_scwrl_1318406503.pdb > /var/tmp/scwrl_1318406503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1318406503.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 T0368 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_295687561.pdb -s /var/tmp/to_scwrl_295687561.seq -o /var/tmp/from_scwrl_295687561.pdb > /var/tmp/scwrl_295687561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_295687561.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 T0368 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_434681724.pdb -s /var/tmp/to_scwrl_434681724.seq -o /var/tmp/from_scwrl_434681724.pdb > /var/tmp/scwrl_434681724.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_434681724.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 T0368 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_974418550.pdb -s /var/tmp/to_scwrl_974418550.seq -o /var/tmp/from_scwrl_974418550.pdb > /var/tmp/scwrl_974418550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_974418550.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 T0368 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_407664227.pdb -s /var/tmp/to_scwrl_407664227.seq -o /var/tmp/from_scwrl_407664227.pdb > /var/tmp/scwrl_407664227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_407664227.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 T0368 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1749291943.pdb -s /var/tmp/to_scwrl_1749291943.seq -o /var/tmp/from_scwrl_1749291943.pdb > /var/tmp/scwrl_1749291943.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1749291943.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 T0368 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1584173252.pdb -s /var/tmp/to_scwrl_1584173252.seq -o /var/tmp/from_scwrl_1584173252.pdb > /var/tmp/scwrl_1584173252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1584173252.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 T0368 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_330777597.pdb -s /var/tmp/to_scwrl_330777597.seq -o /var/tmp/from_scwrl_330777597.pdb > /var/tmp/scwrl_330777597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_330777597.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 T0368 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1820823205.pdb -s /var/tmp/to_scwrl_1820823205.seq -o /var/tmp/from_scwrl_1820823205.pdb > /var/tmp/scwrl_1820823205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1820823205.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 T0368 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_778680272.pdb -s /var/tmp/to_scwrl_778680272.seq -o /var/tmp/from_scwrl_778680272.pdb > /var/tmp/scwrl_778680272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_778680272.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 T0368 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1575160081.pdb -s /var/tmp/to_scwrl_1575160081.seq -o /var/tmp/from_scwrl_1575160081.pdb > /var/tmp/scwrl_1575160081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1575160081.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 T0368 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_758252985.pdb -s /var/tmp/to_scwrl_758252985.seq -o /var/tmp/from_scwrl_758252985.pdb > /var/tmp/scwrl_758252985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_758252985.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 161 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_653276446.pdb -s /var/tmp/to_scwrl_653276446.seq -o /var/tmp/from_scwrl_653276446.pdb > /var/tmp/scwrl_653276446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_653276446.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 159 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2083418957.pdb -s /var/tmp/to_scwrl_2083418957.seq -o /var/tmp/from_scwrl_2083418957.pdb > /var/tmp/scwrl_2083418957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2083418957.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 164 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_209406919.pdb -s /var/tmp/to_scwrl_209406919.seq -o /var/tmp/from_scwrl_209406919.pdb > /var/tmp/scwrl_209406919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209406919.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 168 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_739586195.pdb -s /var/tmp/to_scwrl_739586195.seq -o /var/tmp/from_scwrl_739586195.pdb > /var/tmp/scwrl_739586195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_739586195.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 172 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_839284117.pdb -s /var/tmp/to_scwrl_839284117.seq -o /var/tmp/from_scwrl_839284117.pdb > /var/tmp/scwrl_839284117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_839284117.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 157 ; scwrl -i /var/tmp/to_scwrl_885192401.pdb -s /var/tmp/to_scwrl_885192401.seq -o /var/tmp/from_scwrl_885192401.pdb > /var/tmp/scwrl_885192401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_885192401.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 T0368 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_956001436.pdb -s /var/tmp/to_scwrl_956001436.seq -o /var/tmp/from_scwrl_956001436.pdb > /var/tmp/scwrl_956001436.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956001436.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 T0368 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1389925594.pdb -s /var/tmp/to_scwrl_1389925594.seq -o /var/tmp/from_scwrl_1389925594.pdb > /var/tmp/scwrl_1389925594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1389925594.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 T0368 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_324181004.pdb -s /var/tmp/to_scwrl_324181004.seq -o /var/tmp/from_scwrl_324181004.pdb > /var/tmp/scwrl_324181004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324181004.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 T0368 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_852490601.pdb -s /var/tmp/to_scwrl_852490601.seq -o /var/tmp/from_scwrl_852490601.pdb > /var/tmp/scwrl_852490601.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_852490601.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 T0368 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_280899016.pdb -s /var/tmp/to_scwrl_280899016.seq -o /var/tmp/from_scwrl_280899016.pdb > /var/tmp/scwrl_280899016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_280899016.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 T0368 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1986501789.pdb -s /var/tmp/to_scwrl_1986501789.seq -o /var/tmp/from_scwrl_1986501789.pdb > /var/tmp/scwrl_1986501789.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1986501789.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 168 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_122018132.pdb -s /var/tmp/to_scwrl_122018132.seq -o /var/tmp/from_scwrl_122018132.pdb > /var/tmp/scwrl_122018132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_122018132.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 100 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1558344129.pdb -s /var/tmp/to_scwrl_1558344129.seq -o /var/tmp/from_scwrl_1558344129.pdb > /var/tmp/scwrl_1558344129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1558344129.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 163 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_939668126.pdb -s /var/tmp/to_scwrl_939668126.seq -o /var/tmp/from_scwrl_939668126.pdb > /var/tmp/scwrl_939668126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_939668126.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 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2030491477.pdb -s /var/tmp/to_scwrl_2030491477.seq -o /var/tmp/from_scwrl_2030491477.pdb > /var/tmp/scwrl_2030491477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2030491477.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 172 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_308127412.pdb -s /var/tmp/to_scwrl_308127412.seq -o /var/tmp/from_scwrl_308127412.pdb > /var/tmp/scwrl_308127412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_308127412.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0368 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 157 ; scwrl -i /var/tmp/to_scwrl_1305461799.pdb -s /var/tmp/to_scwrl_1305461799.seq -o /var/tmp/from_scwrl_1305461799.pdb > /var/tmp/scwrl_1305461799.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1305461799.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 T0368 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_137589873.pdb -s /var/tmp/to_scwrl_137589873.seq -o /var/tmp/from_scwrl_137589873.pdb > /var/tmp/scwrl_137589873.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_137589873.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 T0368 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1626533915.pdb -s /var/tmp/to_scwrl_1626533915.seq -o /var/tmp/from_scwrl_1626533915.pdb > /var/tmp/scwrl_1626533915.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1626533915.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 T0368 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1601149360.pdb -s /var/tmp/to_scwrl_1601149360.seq -o /var/tmp/from_scwrl_1601149360.pdb > /var/tmp/scwrl_1601149360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1601149360.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 T0368 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_572271597.pdb -s /var/tmp/to_scwrl_572271597.seq -o /var/tmp/from_scwrl_572271597.pdb > /var/tmp/scwrl_572271597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_572271597.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 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_453468818.pdb -s /var/tmp/to_scwrl_453468818.seq -o /var/tmp/from_scwrl_453468818.pdb > /var/tmp/scwrl_453468818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_453468818.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2008813587.pdb -s /var/tmp/to_scwrl_2008813587.seq -o /var/tmp/from_scwrl_2008813587.pdb > /var/tmp/scwrl_2008813587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2008813587.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS2-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_174079894.pdb -s /var/tmp/to_scwrl_174079894.seq -o /var/tmp/from_scwrl_174079894.pdb > /var/tmp/scwrl_174079894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_174079894.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 157 ; scwrl -i /var/tmp/to_scwrl_2037642070.pdb -s /var/tmp/to_scwrl_2037642070.seq -o /var/tmp/from_scwrl_2037642070.pdb > /var/tmp/scwrl_2037642070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2037642070.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 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_192107538.pdb -s /var/tmp/to_scwrl_192107538.seq -o /var/tmp/from_scwrl_192107538.pdb > /var/tmp/scwrl_192107538.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_192107538.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 T0368 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1994903099.pdb -s /var/tmp/to_scwrl_1994903099.seq -o /var/tmp/from_scwrl_1994903099.pdb > /var/tmp/scwrl_1994903099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1994903099.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 T0368 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_668838696.pdb -s /var/tmp/to_scwrl_668838696.seq -o /var/tmp/from_scwrl_668838696.pdb > /var/tmp/scwrl_668838696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_668838696.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 T0368 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1767267619.pdb -s /var/tmp/to_scwrl_1767267619.seq -o /var/tmp/from_scwrl_1767267619.pdb > /var/tmp/scwrl_1767267619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767267619.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 T0368 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_605672437.pdb -s /var/tmp/to_scwrl_605672437.seq -o /var/tmp/from_scwrl_605672437.pdb > /var/tmp/scwrl_605672437.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_605672437.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 T0368 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1322115141.pdb -s /var/tmp/to_scwrl_1322115141.seq -o /var/tmp/from_scwrl_1322115141.pdb > /var/tmp/scwrl_1322115141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1322115141.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 T0368 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_1703202929.pdb -s /var/tmp/to_scwrl_1703202929.seq -o /var/tmp/from_scwrl_1703202929.pdb > /var/tmp/scwrl_1703202929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1703202929.pdb # conformation set from SCWRL output # naming current conformation nFOLD_TS5-scwrl # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_815079356.pdb -s /var/tmp/to_scwrl_815079356.seq -o /var/tmp/from_scwrl_815079356.pdb > /var/tmp/scwrl_815079356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_815079356.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_2061701336.pdb -s /var/tmp/to_scwrl_2061701336.seq -o /var/tmp/from_scwrl_2061701336.pdb > /var/tmp/scwrl_2061701336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2061701336.pdb # conformation set from SCWRL output # naming current conformation panther3_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0368 can't currently be optimized by undertaker # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 157 ; scwrl -i /var/tmp/to_scwrl_395003400.pdb -s /var/tmp/to_scwrl_395003400.seq -o /var/tmp/from_scwrl_395003400.pdb > /var/tmp/scwrl_395003400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_395003400.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 48.402 sec, elapsed time= 907.744 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 550.169 real_cost = 3.545 shub_TS1 costs 528.553 real_cost = 1.095 panther3_TS1-scwrl costs 1211.741 real_cost = 379.302 panther3_TS1 costs 1197.814 real_cost = 378.380 panther2_TS1-scwrl costs 1376.309 real_cost = 544.795 panther2_TS1 costs 1362.395 real_cost = 543.155 nFOLD_TS5-scwrl costs 697.900 real_cost = 191.012 nFOLD_TS5 costs 7819.208 real_cost = 243.599 nFOLD_TS4-scwrl costs 633.374 real_cost = 156.459 nFOLD_TS4 costs 3219.532 real_cost = 225.153 nFOLD_TS3-scwrl costs 713.524 real_cost = 183.766 nFOLD_TS3 costs 4029.387 real_cost = 234.543 nFOLD_TS2-scwrl costs 983.045 real_cost = 236.228 nFOLD_TS2 costs 5302.207 real_cost = 254.120 nFOLD_TS1-scwrl costs 480.164 real_cost = -91.885 nFOLD_TS1 costs 10574.748 real_cost = -13.495 mGen-3D_TS1-scwrl costs 797.065 real_cost = 32.488 mGen-3D_TS1 costs 2366.078 real_cost = 88.095 keasar-server_TS5-scwrl costs 485.301 real_cost = -1.523 keasar-server_TS5 costs 474.197 real_cost = 0.661 keasar-server_TS4-scwrl costs 391.933 real_cost = -45.021 keasar-server_TS4 costs 391.903 real_cost = -33.999 keasar-server_TS3-scwrl costs 389.858 real_cost = -62.200 keasar-server_TS3 costs 388.958 real_cost = -53.653 keasar-server_TS2-scwrl costs 394.436 real_cost = -68.844 keasar-server_TS2 costs 390.538 real_cost = -59.475 keasar-server_TS1-scwrl costs 460.922 real_cost = 21.485 keasar-server_TS1 costs 455.178 real_cost = 35.726 karypis.srv_TS5-scwrl costs 458.466 real_cost = -51.417 karypis.srv_TS5 costs 449.758 real_cost = -53.806 karypis.srv_TS4-scwrl costs 691.977 real_cost = 3.939 karypis.srv_TS4 costs 684.590 real_cost = 1.276 karypis.srv_TS3-scwrl costs 534.566 real_cost = 39.787 karypis.srv_TS3 costs 521.230 real_cost = 36.987 karypis.srv_TS2-scwrl costs 715.487 real_cost = 84.392 karypis.srv_TS2 costs 703.956 real_cost = 80.339 karypis.srv_TS1-scwrl costs 514.530 real_cost = -27.009 karypis.srv_TS1 costs 513.460 real_cost = -26.944 karypis.srv.2_TS5-scwrl costs 430.693 real_cost = 214.186 karypis.srv.2_TS5 costs 431.908 real_cost = 215.959 karypis.srv.2_TS4-scwrl costs 533.437 real_cost = 237.060 karypis.srv.2_TS4 costs 533.437 real_cost = 237.060 karypis.srv.2_TS3-scwrl costs 451.988 real_cost = -14.886 karypis.srv.2_TS3 costs 452.983 real_cost = -14.336 karypis.srv.2_TS2-scwrl costs 377.207 real_cost = -102.635 karypis.srv.2_TS2 costs 377.164 real_cost = -102.183 karypis.srv.2_TS1-scwrl costs 379.229 real_cost = -82.185 karypis.srv.2_TS1 costs 378.979 real_cost = -83.964 forecast-s_AL5-scwrl costs 597.923 real_cost = -32.024 forecast-s_AL5 costs 59010.848 real_cost = 60.923 forecast-s_AL4-scwrl costs 628.202 real_cost = -24.953 forecast-s_AL4 costs 164073.148 real_cost = 75.471 forecast-s_AL3-scwrl costs 561.092 real_cost = -36.364 forecast-s_AL3 costs 30285.398 real_cost = 65.212 forecast-s_AL2-scwrl costs 512.405 real_cost = 83.341 forecast-s_AL2 costs 19778.386 real_cost = 193.757 forecast-s_AL1-scwrl costs 487.140 real_cost = 111.506 forecast-s_AL1 costs 101012.624 real_cost = 225.261 beautshotbase_TS1-scwrl costs 717.023 real_cost = 56.872 beautshotbase_TS1 costs 684.668 real_cost = 51.104 beautshot_TS1-scwrl costs 506.967 real_cost = -14.275 beautshot_TS1 costs 495.307 real_cost = -10.617 Zhang-Server_TS5-scwrl costs 365.179 real_cost = -166.009 Zhang-Server_TS5 costs 365.039 real_cost = -166.009 Zhang-Server_TS4-scwrl costs 374.267 real_cost = -110.440 Zhang-Server_TS4 costs 374.267 real_cost = -110.440 Zhang-Server_TS3-scwrl costs 352.844 real_cost = -194.016 Zhang-Server_TS3 costs 351.460 real_cost = -193.377 Zhang-Server_TS2-scwrl costs 355.777 real_cost = -171.051 Zhang-Server_TS2 costs 355.777 real_cost = -171.051 Zhang-Server_TS1-scwrl costs 353.695 real_cost = -180.484 Zhang-Server_TS1 costs 353.695 real_cost = -180.484 UNI-EID_sfst_AL5-scwrl costs 783.735 real_cost = 56.214 UNI-EID_sfst_AL5 costs 91808.651 real_cost = 115.813 UNI-EID_sfst_AL4-scwrl costs 825.294 real_cost = 65.712 UNI-EID_sfst_AL4 costs 24374.668 real_cost = 113.312 UNI-EID_sfst_AL3-scwrl costs 803.203 real_cost = 92.772 UNI-EID_sfst_AL3 costs 26849.676 real_cost = 139.959 UNI-EID_sfst_AL2-scwrl costs 812.158 real_cost = 99.434 UNI-EID_sfst_AL2 costs 27398.484 real_cost = 153.200 UNI-EID_sfst_AL1-scwrl costs 735.589 real_cost = 60.922 UNI-EID_sfst_AL1 costs 77993.885 real_cost = 125.835 UNI-EID_expm_TS1-scwrl costs 694.333 real_cost = -1.225 UNI-EID_expm_TS1 costs 4197.773 real_cost = 79.891 UNI-EID_bnmx_TS5-scwrl costs 891.004 real_cost = 47.811 UNI-EID_bnmx_TS5 costs 21334.089 real_cost = 94.301 UNI-EID_bnmx_TS4-scwrl costs 649.736 real_cost = 117.109 UNI-EID_bnmx_TS4 costs 100256.288 real_cost = 197.838 UNI-EID_bnmx_TS3-scwrl costs 818.596 real_cost = 53.660 UNI-EID_bnmx_TS3 costs 24379.117 real_cost = 108.267 UNI-EID_bnmx_TS2-scwrl costs 628.272 real_cost = 40.434 UNI-EID_bnmx_TS2 costs 28533.439 real_cost = 129.444 UNI-EID_bnmx_TS1-scwrl costs 690.136 real_cost = 126.242 UNI-EID_bnmx_TS1 costs 27662.204 real_cost = 205.976 SPARKS2_TS5-scwrl costs 489.814 real_cost = 83.981 SPARKS2_TS5 costs 12890.570 real_cost = 204.146 SPARKS2_TS4-scwrl costs 394.090 real_cost = 74.699 SPARKS2_TS4 costs 402.792 real_cost = 75.469 SPARKS2_TS3-scwrl costs 546.272 real_cost = -7.075 SPARKS2_TS3 costs 527.829 real_cost = 4.236 SPARKS2_TS2-scwrl costs 401.008 real_cost = 30.447 SPARKS2_TS2 costs 405.347 real_cost = 30.928 SPARKS2_TS1-scwrl costs 486.401 real_cost = -3.805 SPARKS2_TS1 costs 484.921 real_cost = 4.176 SP4_TS5-scwrl costs 420.200 real_cost = -75.450 SP4_TS5 costs 420.825 real_cost = -73.852 SP4_TS4-scwrl costs 381.377 real_cost = -79.824 SP4_TS4 costs 386.113 real_cost = -77.012 SP4_TS3-scwrl costs 411.461 real_cost = -25.196 SP4_TS3 costs 412.357 real_cost = -26.628 SP4_TS2-scwrl costs 453.063 real_cost = -45.661 SP4_TS2 costs 444.494 real_cost = -36.697 SP4_TS1-scwrl costs 408.199 real_cost = -32.894 SP4_TS1 costs 405.834 real_cost = -33.041 SP3_TS5-scwrl costs 497.470 real_cost = 95.359 SP3_TS5 costs 13004.591 real_cost = 214.041 SP3_TS4-scwrl costs 391.990 real_cost = 53.768 SP3_TS4 costs 402.565 real_cost = 56.727 SP3_TS3-scwrl costs 432.112 real_cost = -8.971 SP3_TS3 costs 433.157 real_cost = -8.978 SP3_TS2-scwrl costs 431.131 real_cost = -68.983 SP3_TS2 costs 424.484 real_cost = -69.515 SP3_TS1-scwrl costs 451.206 real_cost = 18.176 SP3_TS1 costs 449.737 real_cost = 17.818 SAM_T06_server_TS5-scwrl costs 832.779 real_cost = 80.769 SAM_T06_server_TS5 costs 795.176 real_cost = 68.146 SAM_T06_server_TS4-scwrl costs 725.303 real_cost = 57.869 SAM_T06_server_TS4 costs 685.936 real_cost = 42.237 SAM_T06_server_TS3-scwrl costs 710.737 real_cost = 76.644 SAM_T06_server_TS3 costs 672.239 real_cost = 62.069 SAM_T06_server_TS2-scwrl costs 639.836 real_cost = 63.252 SAM_T06_server_TS2 costs 600.829 real_cost = 55.032 SAM_T06_server_TS1-scwrl costs 341.722 real_cost = 26.253 SAM_T06_server_TS1 costs 336.628 real_cost = 27.814 SAM-T99_AL5-scwrl costs 728.086 real_cost = 249.244 SAM-T99_AL5 costs 52446.875 real_cost = 340.536 SAM-T99_AL4-scwrl costs 595.701 real_cost = 180.207 SAM-T99_AL4 costs 33080.113 real_cost = 265.140 SAM-T99_AL1-scwrl costs 768.398 real_cost = 82.994 SAM-T99_AL1 costs 23987.456 real_cost = 148.670 SAM-T02_AL5-scwrl costs 853.325 real_cost = 74.376 SAM-T02_AL5 costs 80224.209 real_cost = 139.603 SAM-T02_AL4-scwrl costs 625.999 real_cost = 87.864 SAM-T02_AL4 costs 106482.170 real_cost = 183.681 SAM-T02_AL3-scwrl costs 652.648 real_cost = 165.911 SAM-T02_AL3 costs 33360.434 real_cost = 258.654 SAM-T02_AL2-scwrl costs 839.634 real_cost = 45.425 SAM-T02_AL2 costs 22000.446 real_cost = 112.853 SAM-T02_AL1-scwrl costs 711.900 real_cost = 45.604 SAM-T02_AL1 costs 24826.717 real_cost = 124.973 ROKKY_TS5-scwrl costs 401.628 real_cost = -44.753 ROKKY_TS5 costs 411.252 real_cost = -39.849 ROKKY_TS4-scwrl costs 390.589 real_cost = -55.711 ROKKY_TS4 costs 399.659 real_cost = -50.540 ROKKY_TS3-scwrl costs 485.690 real_cost = 44.496 ROKKY_TS3 costs 487.471 real_cost = 44.254 ROKKY_TS2-scwrl costs 452.298 real_cost = -22.619 ROKKY_TS2 costs 459.829 real_cost = -19.163 ROKKY_TS1-scwrl costs 404.229 real_cost = -31.023 ROKKY_TS1 costs 412.523 real_cost = -24.885 ROBETTA_TS5-scwrl costs 344.383 real_cost = -67.487 ROBETTA_TS5 costs 339.665 real_cost = -66.507 ROBETTA_TS4-scwrl costs 364.627 real_cost = -105.985 ROBETTA_TS4 costs 358.592 real_cost = -102.780 ROBETTA_TS3-scwrl costs 367.290 real_cost = -124.730 ROBETTA_TS3 costs 359.656 real_cost = -123.823 ROBETTA_TS2-scwrl costs 391.353 real_cost = -32.061 ROBETTA_TS2 costs 380.096 real_cost = -31.196 ROBETTA_TS1-scwrl costs 369.162 real_cost = -57.107 ROBETTA_TS1 costs 360.463 real_cost = -53.812 RAPTOR_TS5-scwrl costs 391.787 real_cost = -114.412 RAPTOR_TS5 costs 397.594 real_cost = -105.797 RAPTOR_TS4-scwrl costs 492.849 real_cost = -20.567 RAPTOR_TS4 costs 493.493 real_cost = -14.845 RAPTOR_TS3-scwrl costs 409.125 real_cost = -66.919 RAPTOR_TS3 costs 410.612 real_cost = -63.686 RAPTOR_TS2-scwrl costs 432.284 real_cost = -72.232 RAPTOR_TS2 costs 430.663 real_cost = -69.853 RAPTOR_TS1-scwrl costs 422.042 real_cost = -61.586 RAPTOR_TS1 costs 419.591 real_cost = -60.347 RAPTORESS_TS5-scwrl costs 387.439 real_cost = -104.984 RAPTORESS_TS5 costs 394.148 real_cost = -99.681 RAPTORESS_TS4-scwrl costs 423.211 real_cost = 7.483 RAPTORESS_TS4 costs 427.320 real_cost = 13.543 RAPTORESS_TS3-scwrl costs 399.120 real_cost = -35.100 RAPTORESS_TS3 costs 401.386 real_cost = -28.841 RAPTORESS_TS2-scwrl costs 407.321 real_cost = -51.582 RAPTORESS_TS2 costs 411.275 real_cost = -45.754 RAPTORESS_TS1-scwrl costs 395.927 real_cost = -40.861 RAPTORESS_TS1 costs 402.237 real_cost = -43.334 RAPTOR-ACE_TS5-scwrl costs 501.878 real_cost = 14.647 RAPTOR-ACE_TS5 costs 496.850 real_cost = 14.715 RAPTOR-ACE_TS4-scwrl costs 401.864 real_cost = -54.255 RAPTOR-ACE_TS4 costs 412.601 real_cost = -50.516 RAPTOR-ACE_TS3-scwrl costs 414.279 real_cost = -66.880 RAPTOR-ACE_TS3 costs 419.190 real_cost = -57.979 RAPTOR-ACE_TS2-scwrl costs 432.112 real_cost = -8.971 RAPTOR-ACE_TS2 costs 433.157 real_cost = -8.978 RAPTOR-ACE_TS1-scwrl costs 379.486 real_cost = -119.243 RAPTOR-ACE_TS1 costs 387.684 real_cost = -117.179 Pmodeller6_TS5-scwrl costs 369.162 real_cost = -57.107 Pmodeller6_TS5 costs 360.463 real_cost = -53.812 Pmodeller6_TS4-scwrl costs 621.547 real_cost = 11.892 Pmodeller6_TS4 costs 596.969 real_cost = 7.029 Pmodeller6_TS3-scwrl costs 615.168 real_cost = 33.912 Pmodeller6_TS3 costs 584.231 real_cost = 29.052 Pmodeller6_TS2-scwrl costs 344.383 real_cost = -67.487 Pmodeller6_TS2 costs 339.665 real_cost = -66.507 Pmodeller6_TS1-scwrl costs 367.290 real_cost = -124.730 Pmodeller6_TS1 costs 359.656 real_cost = -123.823 Phyre-2_TS5-scwrl costs 453.594 real_cost = -68.230 Phyre-2_TS5 costs 464.182 real_cost = -67.535 Phyre-2_TS4-scwrl costs 453.034 real_cost = -67.905 Phyre-2_TS4 costs 463.020 real_cost = -67.246 Phyre-2_TS3-scwrl costs 454.731 real_cost = -68.116 Phyre-2_TS3 costs 466.576 real_cost = -65.693 Phyre-2_TS2-scwrl costs 454.536 real_cost = -68.236 Phyre-2_TS2 costs 464.870 real_cost = -67.623 Phyre-2_TS1-scwrl costs 387.663 real_cost = -92.374 Phyre-2_TS1 costs 400.812 real_cost = -91.947 Phyre-1_TS1-scwrl costs 714.060 real_cost = -33.297 Phyre-1_TS1 costs 696.943 real_cost = -42.144 Pcons6_TS5-scwrl costs 662.010 real_cost = 34.293 Pcons6_TS5 costs 630.792 real_cost = 29.860 Pcons6_TS4-scwrl costs 667.613 real_cost = 19.767 Pcons6_TS4 costs 649.277 real_cost = 11.757 Pcons6_TS3-scwrl costs 621.547 real_cost = 11.892 Pcons6_TS3 costs 596.969 real_cost = 7.029 Pcons6_TS2-scwrl costs 460.793 real_cost = -63.393 Pcons6_TS2 costs 445.845 real_cost = -65.193 Pcons6_TS1-scwrl costs 549.799 real_cost = -61.873 Pcons6_TS1 costs 527.302 real_cost = -66.867 PROTINFO_TS5-scwrl costs 638.889 real_cost = 53.953 PROTINFO_TS5 costs 627.795 real_cost = 51.924 PROTINFO_TS4-scwrl costs 378.383 real_cost = -45.780 PROTINFO_TS4 costs 384.106 real_cost = -43.934 PROTINFO_TS3-scwrl costs 396.960 real_cost = 3.291 PROTINFO_TS3 costs 397.969 real_cost = 6.666 PROTINFO_TS2-scwrl costs 397.254 real_cost = 0.027 PROTINFO_TS2 costs 401.089 real_cost = 2.739 PROTINFO_TS1-scwrl costs 377.752 real_cost = -43.452 PROTINFO_TS1 costs 382.821 real_cost = -42.184 PROTINFO-AB_TS5-scwrl costs 376.329 real_cost = -46.766 PROTINFO-AB_TS5 costs 381.868 real_cost = -44.256 PROTINFO-AB_TS4-scwrl costs 393.239 real_cost = 6.537 PROTINFO-AB_TS4 costs 403.859 real_cost = 6.018 PROTINFO-AB_TS3-scwrl costs 406.402 real_cost = -12.126 PROTINFO-AB_TS3 costs 409.120 real_cost = -12.076 PROTINFO-AB_TS2-scwrl costs 402.847 real_cost = -9.900 PROTINFO-AB_TS2 costs 406.445 real_cost = -5.875 PROTINFO-AB_TS1-scwrl costs 401.655 real_cost = -12.954 PROTINFO-AB_TS1 costs 405.999 real_cost = -13.154 POMYSL_TS5-scwrl costs 567.703 real_cost = 295.641 POMYSL_TS5 costs 569.042 real_cost = 300.246 POMYSL_TS4-scwrl costs 631.862 real_cost = 287.984 POMYSL_TS4 costs 607.329 real_cost = 296.076 POMYSL_TS3-scwrl costs 550.721 real_cost = 215.810 POMYSL_TS3 costs 553.037 real_cost = 241.061 POMYSL_TS2-scwrl costs 531.810 real_cost = 233.441 POMYSL_TS2 costs 526.763 real_cost = 260.076 POMYSL_TS1-scwrl costs 650.361 real_cost = 312.106 POMYSL_TS1 costs 624.096 real_cost = 311.886 NN_PUT_lab_TS1-scwrl costs 451.206 real_cost = 18.176 NN_PUT_lab_TS1 costs 449.737 real_cost = 17.818 MetaTasser_TS5-scwrl costs 444.015 real_cost = -130.162 MetaTasser_TS5 costs 478.772 real_cost = -129.046 MetaTasser_TS4-scwrl costs 426.849 real_cost = -73.015 MetaTasser_TS4 costs 486.682 real_cost = -71.280 MetaTasser_TS3-scwrl costs 434.482 real_cost = -54.323 MetaTasser_TS3 costs 471.223 real_cost = -48.013 MetaTasser_TS2-scwrl costs 439.581 real_cost = -103.203 MetaTasser_TS2 costs 490.704 real_cost = -107.460 MetaTasser_TS1-scwrl costs 453.373 real_cost = -94.927 MetaTasser_TS1 costs 482.460 real_cost = -90.049 Ma-OPUS-server_TS5-scwrl costs 448.009 real_cost = 8.442 Ma-OPUS-server_TS5 costs 441.757 real_cost = 7.401 Ma-OPUS-server_TS4-scwrl costs 454.461 real_cost = 1.045 Ma-OPUS-server_TS4 costs 456.418 real_cost = 8.806 Ma-OPUS-server_TS3-scwrl costs 505.489 real_cost = -4.562 Ma-OPUS-server_TS3 costs 485.103 real_cost = -2.620 Ma-OPUS-server_TS2-scwrl costs 483.477 real_cost = 39.439 Ma-OPUS-server_TS2 costs 473.296 real_cost = 43.201 Ma-OPUS-server_TS1-scwrl costs 492.460 real_cost = 0.109 Ma-OPUS-server_TS1 costs 468.983 real_cost = 1.505 Ma-OPUS-server2_TS5-scwrl costs 434.587 real_cost = -62.068 Ma-OPUS-server2_TS5 costs 423.903 real_cost = -63.103 Ma-OPUS-server2_TS4-scwrl costs 370.598 real_cost = -112.069 Ma-OPUS-server2_TS4 costs 383.944 real_cost = -103.896 Ma-OPUS-server2_TS3-scwrl costs 483.477 real_cost = 39.439 Ma-OPUS-server2_TS3 costs 473.296 real_cost = 43.201 Ma-OPUS-server2_TS2-scwrl costs 454.461 real_cost = 1.045 Ma-OPUS-server2_TS2 costs 456.418 real_cost = 8.806 Ma-OPUS-server2_TS1-scwrl costs 458.105 real_cost = 5.276 Ma-OPUS-server2_TS1 costs 457.897 real_cost = 8.982 MIG_FROST_AL1-scwrl costs 594.075 real_cost = -33.382 MIG_FROST_AL1 costs 166244.592 real_cost = 69.804 LOOPP_TS5-scwrl costs 499.622 real_cost = 33.006 LOOPP_TS5 costs 483.219 real_cost = 32.706 LOOPP_TS4-scwrl costs 485.458 real_cost = -23.246 LOOPP_TS4 costs 474.322 real_cost = -23.708 LOOPP_TS3-scwrl costs 634.519 real_cost = 8.004 LOOPP_TS3 costs 615.260 real_cost = 9.607 LOOPP_TS2-scwrl costs 484.727 real_cost = 5.265 LOOPP_TS2 costs 468.352 real_cost = 12.830 LOOPP_TS1-scwrl costs 518.846 real_cost = -37.258 LOOPP_TS1 costs 514.435 real_cost = -33.244 Huber-Torda-Server_TS5-scwrl costs 726.938 real_cost = 77.024 Huber-Torda-Server_TS5 costs 5265.801 real_cost = 117.206 Huber-Torda-Server_TS4-scwrl costs 624.361 real_cost = 194.781 Huber-Torda-Server_TS4 costs 9648.146 real_cost = 240.128 Huber-Torda-Server_TS3-scwrl costs 722.069 real_cost = 34.792 Huber-Torda-Server_TS3 costs 5874.345 real_cost = 80.063 Huber-Torda-Server_TS2-scwrl costs 938.742 real_cost = 124.606 Huber-Torda-Server_TS2 costs 6782.756 real_cost = 134.752 Huber-Torda-Server_TS1-scwrl costs 658.196 real_cost = 83.300 Huber-Torda-Server_TS1 costs 5805.591 real_cost = 138.247 HHpred3_TS1-scwrl costs 383.504 real_cost = -82.417 HHpred3_TS1 costs 393.749 real_cost = -80.172 HHpred2_TS1-scwrl costs 383.504 real_cost = -82.417 HHpred2_TS1 costs 393.749 real_cost = -80.172 HHpred1_TS1-scwrl costs 381.142 real_cost = -87.139 HHpred1_TS1 costs 386.747 real_cost = -87.486 GeneSilicoMetaServer_TS5-scwrl costs 495.045 real_cost = 9.680 GeneSilicoMetaServer_TS5 costs 493.155 real_cost = 14.818 GeneSilicoMetaServer_TS4-scwrl costs 421.094 real_cost = -55.627 GeneSilicoMetaServer_TS4 costs 421.216 real_cost = -50.376 GeneSilicoMetaServer_TS3-scwrl costs 453.085 real_cost = -51.026 GeneSilicoMetaServer_TS3 costs 454.003 real_cost = -46.776 GeneSilicoMetaServer_TS2-scwrl costs 385.845 real_cost = -59.215 GeneSilicoMetaServer_TS2 costs 393.619 real_cost = -57.734 GeneSilicoMetaServer_TS1-scwrl costs 380.474 real_cost = -82.301 GeneSilicoMetaServer_TS1 costs 389.958 real_cost = -74.522 Frankenstein_TS4-scwrl costs 907.496 real_cost = 307.143 Frankenstein_TS4 costs 977.855 real_cost = 326.141 Frankenstein_TS3-scwrl costs 449.660 real_cost = 227.818 Frankenstein_TS3 costs 457.758 real_cost = 222.789 Frankenstein_TS2-scwrl costs 452.950 real_cost = 200.607 Frankenstein_TS2 costs 463.163 real_cost = 198.916 Frankenstein_TS1-scwrl costs 456.675 real_cost = 290.846 Frankenstein_TS1 costs 464.805 real_cost = 292.701 FUNCTION_TS5-scwrl costs 454.737 real_cost = -60.918 FUNCTION_TS5 costs 446.111 real_cost = -59.036 FUNCTION_TS4-scwrl costs 416.921 real_cost = 34.284 FUNCTION_TS4 costs 420.600 real_cost = 36.757 FUNCTION_TS3-scwrl costs 423.119 real_cost = 70.942 FUNCTION_TS3 costs 428.896 real_cost = 71.572 FUNCTION_TS2-scwrl costs 425.946 real_cost = 84.940 FUNCTION_TS2 costs 434.464 real_cost = 96.816 FUNCTION_TS1-scwrl costs 449.617 real_cost = 27.911 FUNCTION_TS1 costs 455.149 real_cost = 30.868 FUGUE_AL5-scwrl costs 619.667 real_cost = 135.305 FUGUE_AL5 costs 227271.710 real_cost = 238.167 FUGUE_AL4-scwrl costs 836.488 real_cost = -17.446 FUGUE_AL4 costs 151092.594 real_cost = 55.131 FUGUE_AL3-scwrl costs 601.819 real_cost = 39.124 FUGUE_AL3 costs 96394.229 real_cost = 136.578 FUGUE_AL2-scwrl costs 581.537 real_cost = -51.615 FUGUE_AL2 costs 165405.097 real_cost = 55.300 FUGUE_AL1-scwrl costs 638.435 real_cost = -55.717 FUGUE_AL1 costs 72407.778 real_cost = 37.099 FUGMOD_TS5-scwrl costs 397.684 real_cost = 86.527 FUGMOD_TS5 costs 404.714 real_cost = 88.859 FUGMOD_TS4-scwrl costs 426.187 real_cost = -44.107 FUGMOD_TS4 costs 429.140 real_cost = -36.283 FUGMOD_TS3-scwrl costs 407.191 real_cost = 3.191 FUGMOD_TS3 costs 413.442 real_cost = 9.221 FUGMOD_TS2-scwrl costs 400.036 real_cost = -56.461 FUGMOD_TS2 costs 404.341 real_cost = -50.532 FUGMOD_TS1-scwrl costs 453.180 real_cost = -58.518 FUGMOD_TS1 costs 459.091 real_cost = -58.112 FPSOLVER-SERVER_TS5-scwrl costs 477.012 real_cost = 258.010 FPSOLVER-SERVER_TS5 costs 478.127 real_cost = 273.691 FPSOLVER-SERVER_TS4-scwrl costs 458.749 real_cost = 273.826 FPSOLVER-SERVER_TS4 costs 458.602 real_cost = 286.815 FPSOLVER-SERVER_TS3-scwrl costs 480.131 real_cost = 289.490 FPSOLVER-SERVER_TS3 costs 481.981 real_cost = 292.108 FPSOLVER-SERVER_TS2-scwrl costs 487.618 real_cost = 270.771 FPSOLVER-SERVER_TS2 costs 489.114 real_cost = 277.935 FPSOLVER-SERVER_TS1-scwrl costs 477.040 real_cost = 282.634 FPSOLVER-SERVER_TS1 costs 478.139 real_cost = 284.161 FORTE2_AL5-scwrl costs 1221.952 real_cost = 327.494 FORTE2_AL5 costs 101464.163 real_cost = 327.494 FORTE2_AL4-scwrl costs 600.290 real_cost = 184.659 FORTE2_AL4 costs 94764.876 real_cost = 288.344 FORTE2_AL3-scwrl costs 1209.655 real_cost = 328.688 FORTE2_AL3 costs 101014.213 real_cost = 328.688 FORTE2_AL2-scwrl costs 485.590 real_cost = 154.925 FORTE2_AL2 costs 105958.677 real_cost = 274.068 FORTE2_AL1-scwrl costs 486.845 real_cost = -69.220 FORTE2_AL1 costs 108112.348 real_cost = 46.839 FORTE1_AL5-scwrl costs 499.513 real_cost = 83.128 FORTE1_AL5 costs 19304.448 real_cost = 199.151 FORTE1_AL4-scwrl costs 534.984 real_cost = 162.916 FORTE1_AL4 costs 107567.247 real_cost = 273.525 FORTE1_AL3-scwrl costs 1235.015 real_cost = 324.502 FORTE1_AL3 costs 80649.125 real_cost = 324.502 FORTE1_AL2-scwrl costs 482.794 real_cost = 154.292 FORTE1_AL2 costs 105956.954 real_cost = 272.012 FORTE1_AL1-scwrl costs 486.845 real_cost = -69.220 FORTE1_AL1 costs 108112.348 real_cost = 46.839 FOLDpro_TS5-scwrl costs 424.408 real_cost = 139.179 FOLDpro_TS5 costs 432.912 real_cost = 141.186 FOLDpro_TS4-scwrl costs 407.315 real_cost = 152.908 FOLDpro_TS4 costs 414.661 real_cost = 158.588 FOLDpro_TS3-scwrl costs 402.463 real_cost = 77.108 FOLDpro_TS3 costs 405.699 real_cost = 85.725 FOLDpro_TS2-scwrl costs 371.995 real_cost = -26.184 FOLDpro_TS2 costs 382.354 real_cost = -22.565 FOLDpro_TS1-scwrl costs 379.007 real_cost = -74.968 FOLDpro_TS1 costs 382.441 real_cost = -71.779 FAMS_TS5-scwrl costs 401.245 real_cost = -53.469 FAMS_TS5 costs 401.445 real_cost = -51.192 FAMS_TS4-scwrl costs 399.773 real_cost = -123.778 FAMS_TS4 costs 398.964 real_cost = -118.229 FAMS_TS3-scwrl costs 400.338 real_cost = -115.945 FAMS_TS3 costs 403.278 real_cost = -113.847 FAMS_TS2-scwrl costs 662.800 real_cost = -39.821 FAMS_TS2 costs 634.590 real_cost = -36.108 FAMS_TS1-scwrl costs 430.745 real_cost = -48.625 FAMS_TS1 costs 427.272 real_cost = -44.352 FAMSD_TS5-scwrl costs 432.769 real_cost = 14.799 FAMSD_TS5 costs 433.470 real_cost = 24.772 FAMSD_TS4-scwrl costs 550.811 real_cost = -40.084 FAMSD_TS4 costs 543.072 real_cost = -33.608 FAMSD_TS3-scwrl costs 535.744 real_cost = -43.287 FAMSD_TS3 costs 532.366 real_cost = -45.465 FAMSD_TS2-scwrl costs 576.749 real_cost = 1.238 FAMSD_TS2 costs 552.822 real_cost = 0.591 FAMSD_TS1-scwrl costs 376.079 real_cost = -87.798 FAMSD_TS1 costs 376.555 real_cost = -82.685 Distill_TS5-scwrl costs 2509.453 real_cost = 466.189 Distill_TS4-scwrl costs 2511.098 real_cost = 434.316 Distill_TS3-scwrl costs 2502.526 real_cost = 460.843 Distill_TS2-scwrl costs 2506.015 real_cost = 460.596 Distill_TS1-scwrl costs 2515.607 real_cost = 457.500 CaspIta-FOX_TS5-scwrl costs 772.226 real_cost = 56.297 CaspIta-FOX_TS5 costs 729.503 real_cost = 46.561 CaspIta-FOX_TS4-scwrl costs 614.045 real_cost = 10.685 CaspIta-FOX_TS4 costs 585.367 real_cost = 0.966 CaspIta-FOX_TS3-scwrl costs 767.354 real_cost = 33.906 CaspIta-FOX_TS3 costs 732.676 real_cost = 23.110 CaspIta-FOX_TS2-scwrl costs 716.979 real_cost = 26.698 CaspIta-FOX_TS2 costs 675.814 real_cost = 9.247 CaspIta-FOX_TS1-scwrl costs 847.154 real_cost = 68.376 CaspIta-FOX_TS1 costs 800.532 real_cost = 52.620 CIRCLE_TS5-scwrl costs 662.800 real_cost = -39.821 CIRCLE_TS5 costs 634.590 real_cost = -36.108 CIRCLE_TS4-scwrl costs 641.781 real_cost = -15.917 CIRCLE_TS4 costs 615.062 real_cost = -13.251 CIRCLE_TS3-scwrl costs 401.245 real_cost = -53.469 CIRCLE_TS3 costs 401.445 real_cost = -51.192 CIRCLE_TS2-scwrl costs 400.338 real_cost = -115.945 CIRCLE_TS2 costs 403.278 real_cost = -113.847 CIRCLE_TS1-scwrl costs 399.773 real_cost = -123.778 CIRCLE_TS1 costs 398.964 real_cost = -118.229 Bilab-ENABLE_TS4-scwrl costs 483.460 real_cost = 31.024 Bilab-ENABLE_TS4 costs 483.460 real_cost = 31.024 Bilab-ENABLE_TS3-scwrl costs 505.382 real_cost = 0.489 Bilab-ENABLE_TS3 costs 505.382 real_cost = 0.489 Bilab-ENABLE_TS2-scwrl costs 410.569 real_cost = 20.701 Bilab-ENABLE_TS2 costs 410.246 real_cost = 19.542 Bilab-ENABLE_TS1-scwrl costs 388.921 real_cost = -61.093 Bilab-ENABLE_TS1 costs 388.753 real_cost = -60.610 BayesHH_TS1-scwrl costs 421.394 real_cost = -81.491 BayesHH_TS1 costs 432.475 real_cost = -72.797 ABIpro_TS5-scwrl costs 430.581 real_cost = 121.303 ABIpro_TS5 costs 430.581 real_cost = 121.303 ABIpro_TS4-scwrl costs 456.008 real_cost = 142.684 ABIpro_TS4 costs 454.936 real_cost = 143.865 ABIpro_TS3-scwrl costs 426.825 real_cost = 152.777 ABIpro_TS3 costs 424.654 real_cost = 152.769 ABIpro_TS2-scwrl costs 446.152 real_cost = 113.063 ABIpro_TS2 costs 445.197 real_cost = 113.066 ABIpro_TS1-scwrl costs 439.100 real_cost = 120.100 ABIpro_TS1 costs 440.001 real_cost = 119.720 3Dpro_TS5-scwrl costs 436.769 real_cost = 144.431 3Dpro_TS5 costs 441.622 real_cost = 147.876 3Dpro_TS4-scwrl costs 420.018 real_cost = 167.544 3Dpro_TS4 costs 429.204 real_cost = 164.377 3Dpro_TS3-scwrl costs 420.661 real_cost = 29.535 3Dpro_TS3 costs 431.911 real_cost = 32.209 3Dpro_TS2-scwrl costs 417.509 real_cost = -6.324 3Dpro_TS2 costs 428.196 real_cost = 3.101 3Dpro_TS1-scwrl costs 444.501 real_cost = 36.174 3Dpro_TS1 costs 439.854 real_cost = 38.547 3D-JIGSAW_TS5-scwrl costs 536.230 real_cost = 17.996 3D-JIGSAW_TS5 costs 506.687 real_cost = 20.231 3D-JIGSAW_TS4-scwrl costs 620.262 real_cost = 164.959 3D-JIGSAW_TS4 costs 591.065 real_cost = 168.091 3D-JIGSAW_TS3-scwrl costs 541.524 real_cost = 15.738 3D-JIGSAW_TS3 costs 519.133 real_cost = 13.855 3D-JIGSAW_TS2-scwrl costs 474.259 real_cost = -16.472 3D-JIGSAW_TS2 costs 477.002 real_cost = -6.668 3D-JIGSAW_TS1-scwrl costs 488.077 real_cost = 67.733 3D-JIGSAW_TS1 costs 477.569 real_cost = 63.344 3D-JIGSAW_RECOM_TS5-scwrl costs 579.781 real_cost = 19.648 3D-JIGSAW_RECOM_TS5 costs 569.660 real_cost = 24.103 3D-JIGSAW_RECOM_TS4-scwrl costs 572.283 real_cost = 18.127 3D-JIGSAW_RECOM_TS4 costs 564.617 real_cost = 23.147 3D-JIGSAW_RECOM_TS3-scwrl costs 583.432 real_cost = 11.531 3D-JIGSAW_RECOM_TS3 costs 556.510 real_cost = 10.275 3D-JIGSAW_RECOM_TS2-scwrl costs 636.724 real_cost = 34.963 3D-JIGSAW_RECOM_TS2 costs 604.220 real_cost = 25.974 3D-JIGSAW_RECOM_TS1-scwrl costs 482.388 real_cost = 4.730 3D-JIGSAW_RECOM_TS1 costs 462.297 real_cost = -1.837 3D-JIGSAW_POPULUS_TS5-scwrl costs 401.031 real_cost = 18.233 3D-JIGSAW_POPULUS_TS5 costs 401.031 real_cost = 18.233 3D-JIGSAW_POPULUS_TS4-scwrl costs 391.838 real_cost = 78.896 3D-JIGSAW_POPULUS_TS4 costs 391.838 real_cost = 78.896 3D-JIGSAW_POPULUS_TS3-scwrl costs 391.498 real_cost = 60.364 3D-JIGSAW_POPULUS_TS3 costs 391.498 real_cost = 60.364 3D-JIGSAW_POPULUS_TS2-scwrl costs 578.299 real_cost = 128.212 3D-JIGSAW_POPULUS_TS2 costs 571.054 real_cost = 126.612 3D-JIGSAW_POPULUS_TS1-scwrl costs 526.113 real_cost = 141.318 3D-JIGSAW_POPULUS_TS1 costs 518.652 real_cost = 139.718 tr368.with.ligand.renum.pdb.gz costs 340.071 real_cost = -198.358 tr368.repack-nonPC.pdb.gz costs 336.081 real_cost = -198.933 tr368.pdb.gz costs 340.071 real_cost = -198.358 tr368.gromacs0.repack-nonPC.pdb.gz costs 335.168 real_cost = -196.204 tr368.gromacs0.pdb.gz costs 336.683 real_cost = -196.447 T0368.try9-opt2.repack-nonPC.pdb.gz costs 348.927 real_cost = 87.395 T0368.try9-opt2.pdb.gz costs 347.132 real_cost = 89.398 T0368.try9-opt2.gromacs0.repack-nonPC.pdb.gz costs 355.680 real_cost = 91.195 T0368.try9-opt2.gromacs0.pdb.gz costs 354.483 real_cost = 87.916 T0368.try9-opt1.pdb.gz costs 351.734 real_cost = 85.203 T0368.try9-opt1-scwrl.pdb.gz costs 354.498 real_cost = 85.939 T0368.try8-opt2.repack-nonPC.pdb.gz costs 348.827 real_cost = 124.741 T0368.try8-opt2.pdb.gz costs 345.465 real_cost = 123.178 T0368.try8-opt2.gromacs0.repack-nonPC.pdb.gz costs 364.526 real_cost = 122.554 T0368.try8-opt2.gromacs0.pdb.gz costs 361.111 real_cost = 124.577 T0368.try8-opt1.pdb.gz costs 357.769 real_cost = 127.614 T0368.try8-opt1-scwrl.pdb.gz costs 361.876 real_cost = 126.596 T0368.try7-opt2.repack-nonPC.pdb.gz costs 333.753 real_cost = -9.087 T0368.try7-opt2.pdb.gz costs 331.404 real_cost = -10.029 T0368.try7-opt2.gromacs0.repack-nonPC.pdb.gz costs 344.816 real_cost = -9.383 T0368.try7-opt2.gromacs0.pdb.gz costs 342.959 real_cost = -9.763 T0368.try7-opt1.pdb.gz costs 334.642 real_cost = -10.211 T0368.try7-opt1-scwrl.pdb.gz costs 337.736 real_cost = -11.279 T0368.try6-opt2.repack-nonPC.pdb.gz costs 339.033 real_cost = 6.165 T0368.try6-opt2.pdb.gz costs 337.589 real_cost = 6.073 T0368.try6-opt2.gromacs0.repack-nonPC.pdb.gz costs 349.769 real_cost = 5.208 T0368.try6-opt2.gromacs0.pdb.gz costs 348.976 real_cost = 8.321 T0368.try6-opt1.pdb.gz costs 344.259 real_cost = 7.463 T0368.try6-opt1-scwrl.pdb.gz costs 344.644 real_cost = 6.673 T0368.try5-opt2.repack-nonPC.pdb.gz costs 343.840 real_cost = 11.954 T0368.try5-opt2.pdb.gz costs 340.603 real_cost = 10.188 T0368.try5-opt2.gromacs0.repack-nonPC.pdb.gz costs 358.165 real_cost = 11.292 T0368.try5-opt2.gromacs0.pdb.gz costs 355.842 real_cost = 9.531 T0368.try5-opt1.pdb.gz costs 347.147 real_cost = 7.662 T0368.try5-opt1-scwrl.pdb.gz costs 349.793 real_cost = 6.993 T0368.try4-opt2.repack-nonPC.pdb.gz costs 341.813 real_cost = 77.807 T0368.try4-opt2.pdb.gz costs 340.271 real_cost = 76.996 T0368.try4-opt2.gromacs0.repack-nonPC.pdb.gz costs 350.959 real_cost = 75.560 T0368.try4-opt2.gromacs0.pdb.gz costs 350.736 real_cost = 76.718 T0368.try4-opt1.pdb.gz costs 348.912 real_cost = 75.928 T0368.try4-opt1-scwrl.pdb.gz costs 350.755 real_cost = 75.974 T0368.try35-opt2.repack-nonPC.pdb.gz costs 319.738 real_cost = -178.783 T0368.try35-opt2.pdb.gz costs 317.786 real_cost = -178.558 T0368.try35-opt2.gromacs0.repack-nonPC.pdb.gz costs 327.906 real_cost = -180.588 T0368.try35-opt2.gromacs0.pdb.gz costs 326.308 real_cost = -178.644 T0368.try35-opt1.pdb.gz costs 319.962 real_cost = -177.191 T0368.try35-opt1-scwrl.pdb.gz costs 327.812 real_cost = -176.343 T0368.try34-opt2.repack-nonPC.pdb.gz costs 316.433 real_cost = -179.424 T0368.try34-opt2.pdb.gz costs 314.700 real_cost = -180.608 T0368.try34-opt2.gromacs0.repack-nonPC.pdb.gz costs 327.775 real_cost = -178.735 T0368.try34-opt2.gromacs0.pdb.gz costs 326.190 real_cost = -179.211 T0368.try34-opt1.pdb.gz costs 319.140 real_cost = -176.444 T0368.try34-opt1-scwrl.pdb.gz costs 325.084 real_cost = -174.845 T0368.try33-opt2.repack-nonPC.pdb.gz costs 322.681 real_cost = -185.727 T0368.try33-opt2.pdb.gz costs 320.134 real_cost = -185.129 T0368.try33-opt2.gromacs0.repack-nonPC.pdb.gz costs 330.645 real_cost = -183.422 T0368.try33-opt2.gromacs0.pdb.gz costs 330.398 real_cost = -184.337 T0368.try32-opt2.repack-nonPC.pdb.gz costs 323.026 real_cost = -201.270 T0368.try32-opt2.pdb.gz costs 318.464 real_cost = -199.795 T0368.try32-opt2.gromacs0.repack-nonPC.pdb.gz costs 328.683 real_cost = -198.815 T0368.try32-opt2.gromacs0.pdb.gz costs 327.574 real_cost = -197.812 T0368.try31-opt2.repack-nonPC.pdb.gz costs 321.817 real_cost = -196.622 T0368.try31-opt2.pdb.gz costs 318.608 real_cost = -198.749 T0368.try31-opt2.gromacs0.repack-nonPC.pdb.gz costs 328.631 real_cost = -198.786 T0368.try31-opt2.gromacs0.pdb.gz costs 326.518 real_cost = -199.029 T0368.try30-opt2.repack-nonPC.pdb.gz costs 323.187 real_cost = -198.989 T0368.try30-opt2.pdb.gz costs 320.297 real_cost = -197.569 T0368.try30-opt2.gromacs0.repack-nonPC.pdb.gz costs 328.179 real_cost = -199.070 T0368.try30-opt2.gromacs0.pdb.gz costs 329.127 real_cost = -196.785 T0368.try3-opt2.repack-nonPC.pdb.gz costs 332.492 real_cost = 52.362 T0368.try3-opt2.pdb.gz costs 331.685 real_cost = 51.011 T0368.try3-opt2.gromacs0.repack-nonPC.pdb.gz costs 339.965 real_cost = 54.298 T0368.try3-opt2.gromacs0.pdb.gz costs 340.095 real_cost = 51.695 T0368.try3-opt1.pdb.gz costs 338.913 real_cost = 53.036 T0368.try3-opt1-scwrl.pdb.gz costs 340.920 real_cost = 52.048 T0368.try26-opt2.repack-nonPC.pdb.gz costs 329.549 real_cost = -83.893 T0368.try26-opt2.pdb.gz costs 326.141 real_cost = -84.440 T0368.try26-opt2.gromacs0.repack-nonPC.pdb.gz costs 334.143 real_cost = -84.074 T0368.try26-opt2.gromacs0.pdb.gz costs 332.894 real_cost = -83.820 T0368.try26-opt1.pdb.gz costs 330.128 real_cost = -81.684 T0368.try26-opt1-scwrl.pdb.gz costs 331.976 real_cost = -79.910 T0368.try25-opt2.repack-nonPC.pdb.gz costs 328.904 real_cost = -79.458 T0368.try25-opt2.pdb.gz costs 327.025 real_cost = -77.436 T0368.try25-opt2.gromacs0.repack-nonPC.pdb.gz costs 333.890 real_cost = -81.931 T0368.try25-opt2.gromacs0.pdb.gz costs 332.892 real_cost = -78.779 T0368.try25-opt1.pdb.gz costs 330.264 real_cost = -83.420 T0368.try25-opt1-scwrl.pdb.gz costs 332.338 real_cost = -82.602 T0368.try24-opt2.repack-nonPC.pdb.gz costs 329.393 real_cost = -81.650 T0368.try24-opt2.pdb.gz costs 326.759 real_cost = -79.421 T0368.try24-opt2.gromacs0.repack-nonPC.pdb.gz costs 336.165 real_cost = -83.495 T0368.try24-opt2.gromacs0.pdb.gz costs 334.237 real_cost = -80.880 T0368.try24-opt1.pdb.gz costs 330.561 real_cost = -81.456 T0368.try24-opt1-scwrl.pdb.gz costs 331.857 real_cost = -80.773 T0368.try23-opt2.repack-nonPC.pdb.gz costs 333.240 real_cost = -41.540 T0368.try23-opt2.pdb.gz costs 332.082 real_cost = -40.812 T0368.try23-opt2.gromacs0.repack-nonPC.pdb.gz costs 344.152 real_cost = -43.713 T0368.try23-opt2.gromacs0.pdb.gz costs 342.961 real_cost = -42.761 T0368.try23-opt1.pdb.gz costs 336.674 real_cost = -37.471 T0368.try23-opt1-scwrl.pdb.gz costs 337.949 real_cost = -37.053 T0368.try22-opt2.repack-nonPC.pdb.gz costs 331.003 real_cost = -47.851 T0368.try22-opt2.pdb.gz costs 328.406 real_cost = -47.804 T0368.try22-opt2.gromacs0.repack-nonPC.pdb.gz costs 334.876 real_cost = -47.918 T0368.try22-opt2.gromacs0.pdb.gz costs 334.083 real_cost = -46.770 T0368.try22-opt1.pdb.gz costs 335.363 real_cost = -51.079 T0368.try22-opt1-scwrl.pdb.gz costs 337.801 real_cost = -52.325 T0368.try21-opt2.pdb.gz costs 329.587 real_cost = -47.773 T0368.try21-opt2.gromacs0.pdb.gz costs 334.857 real_cost = -51.368 T0368.try21-opt1.pdb.gz costs 332.588 real_cost = -45.273 T0368.try21-opt1-scwrl.pdb.gz costs 339.603 real_cost = -46.157 T0368.try20-opt2.repack-nonPC.pdb.gz costs 342.804 real_cost = 18.071 T0368.try20-opt2.pdb.gz costs 339.936 real_cost = 18.658 T0368.try20-opt2.gromacs0.pdb.gz costs 347.942 real_cost = 17.852 T0368.try20-opt1.pdb.gz costs 341.778 real_cost = 19.590 T0368.try20-opt1-scwrl.pdb.gz costs 347.822 real_cost = 16.802 T0368.try2-opt2.repack-nonPC.pdb.gz costs 339.810 real_cost = 15.385 T0368.try2-opt2.pdb.gz costs 337.230 real_cost = 13.429 T0368.try2-opt2.gromacs0.repack-nonPC.pdb.gz costs 347.924 real_cost = 14.276 T0368.try2-opt2.gromacs0.pdb.gz costs 345.586 real_cost = 13.451 T0368.try2-opt1.pdb.gz costs 338.891 real_cost = -0.261 T0368.try2-opt1-scwrl.pdb.gz costs 342.023 real_cost = -1.548 T0368.try19-opt2.repack-nonPC.pdb.gz costs 330.456 real_cost = 18.185 T0368.try19-opt2.pdb.gz costs 327.227 real_cost = 19.410 T0368.try19-opt2.gromacs0.repack-nonPC.pdb.gz costs 338.426 real_cost = 19.032 T0368.try19-opt2.gromacs0.pdb.gz costs 336.320 real_cost = 21.658 T0368.try19-opt1.pdb.gz costs 328.222 real_cost = 19.390 T0368.try19-opt1-scwrl.pdb.gz costs 335.640 real_cost = 18.942 T0368.try18-opt2.repack-nonPC.pdb.gz costs 361.996 real_cost = 109.589 T0368.try18-opt2.pdb.gz costs 359.737 real_cost = 109.489 T0368.try18-opt2.gromacs0.repack-nonPC.pdb.gz costs 366.296 real_cost = 109.509 T0368.try18-opt2.gromacs0.pdb.gz costs 364.456 real_cost = 110.564 T0368.try18-opt1.pdb.gz costs 365.745 real_cost = 108.713 T0368.try18-opt1-scwrl.pdb.gz costs 367.676 real_cost = 108.436 T0368.try17-opt2.repack-nonPC.pdb.gz costs 366.681 real_cost = 123.319 T0368.try17-opt2.pdb.gz costs 363.627 real_cost = 120.962 T0368.try17-opt2.gromacs0.repack-nonPC.pdb.gz costs 379.856 real_cost = 118.704 T0368.try17-opt2.gromacs0.pdb.gz costs 377.481 real_cost = 115.079 T0368.try17-opt1.pdb.gz costs 373.492 real_cost = 120.952 T0368.try17-opt1-scwrl.pdb.gz costs 373.605 real_cost = 121.683 T0368.try16-opt2.repack-nonPC.pdb.gz costs 355.163 real_cost = 96.636 T0368.try16-opt2.pdb.gz costs 352.708 real_cost = 100.047 T0368.try16-opt2.gromacs0.repack-nonPC.pdb.gz costs 360.884 real_cost = 96.250 T0368.try16-opt2.gromacs0.pdb.gz costs 359.170 real_cost = 96.845 T0368.try16-opt1.pdb.gz costs 357.298 real_cost = 101.801 T0368.try16-opt1-scwrl.pdb.gz costs 358.545 real_cost = 100.824 T0368.try15-opt2.repack-nonPC.pdb.gz costs 338.666 real_cost = 20.553 T0368.try15-opt2.pdb.gz costs 335.749 real_cost = 16.772 T0368.try15-opt2.gromacs0.repack-nonPC.pdb.gz costs 346.359 real_cost = 18.899 T0368.try15-opt2.gromacs0.pdb.gz costs 344.326 real_cost = 17.702 T0368.try15-opt1.pdb.gz costs 339.777 real_cost = 15.561 T0368.try15-opt1-scwrl.pdb.gz costs 343.585 real_cost = 12.401 T0368.try14-opt2.repack-nonPC.pdb.gz costs 331.205 real_cost = 18.497 T0368.try14-opt2.pdb.gz costs 328.373 real_cost = 19.732 T0368.try14-opt2.gromacs0.repack-nonPC.pdb.gz costs 338.804 real_cost = 18.297 T0368.try14-opt2.gromacs0.pdb.gz costs 337.249 real_cost = 21.309 T0368.try14-opt1.pdb.gz costs 329.863 real_cost = 19.972 T0368.try14-opt1-scwrl.pdb.gz costs 337.296 real_cost = 18.200 T0368.try13-opt2.repack-nonPC.pdb.gz costs 348.292 real_cost = 45.925 T0368.try13-opt2.pdb.gz costs 343.616 real_cost = 47.584 T0368.try13-opt2.gromacs0.repack-nonPC.pdb.gz costs 358.749 real_cost = 44.707 T0368.try13-opt2.gromacs0.pdb.gz costs 356.385 real_cost = 47.226 T0368.try13-opt1.pdb.gz costs 348.940 real_cost = 45.415 T0368.try13-opt1-scwrl.pdb.gz costs 351.379 real_cost = 42.857 T0368.try12-opt2.repack-nonPC.pdb.gz costs 339.010 real_cost = 60.445 T0368.try12-opt2.pdb.gz costs 336.617 real_cost = 64.283 T0368.try12-opt2.gromacs0.repack-nonPC.pdb.gz costs 351.189 real_cost = 57.621 T0368.try12-opt2.gromacs0.pdb.gz costs 348.549 real_cost = 61.733 T0368.try12-opt1.pdb.gz costs 343.907 real_cost = 58.849 T0368.try12-opt1-scwrl.pdb.gz costs 346.200 real_cost = 60.045 T0368.try11-opt2.repack-nonPC.pdb.gz costs 342.073 real_cost = 113.329 T0368.try11-opt2.pdb.gz costs 340.522 real_cost = 115.910 T0368.try11-opt2.gromacs0.repack-nonPC.pdb.gz costs 350.444 real_cost = 113.252 T0368.try11-opt2.gromacs0.pdb.gz costs 348.472 real_cost = 116.537 T0368.try11-opt1.pdb.gz costs 345.653 real_cost = 112.902 T0368.try11-opt1-scwrl.pdb.gz costs 346.943 real_cost = 113.015 T0368.try10-opt2.repack-nonPC.pdb.gz costs 358.129 real_cost = 50.076 T0368.try10-opt2.pdb.gz costs 356.343 real_cost = 53.621 T0368.try10-opt2.gromacs0.repack-nonPC.pdb.gz costs 372.316 real_cost = 48.256 T0368.try10-opt2.gromacs0.pdb.gz costs 370.349 real_cost = 52.864 T0368.try10-opt1.pdb.gz costs 364.786 real_cost = 56.464 T0368.try10-opt1-scwrl.pdb.gz costs 366.849 real_cost = 56.325 T0368.try1-opt2.repack-nonPC.pdb.gz costs 333.865 real_cost = 21.720 T0368.try1-opt2.pdb.gz costs 331.387 real_cost = 21.615 T0368.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 339.335 real_cost = 20.393 T0368.try1-opt2.gromacs0.pdb.gz costs 339.084 real_cost = 22.968 T0368.try1-opt1.pdb.gz costs 337.149 real_cost = 22.933 T0368.try1-opt1-scwrl.pdb.gz costs 340.261 real_cost = 23.295 ../refine.model5.ts-submitted costs 318.460 real_cost = -199.827 ../refine.model4.ts-submitted costs 322.760 real_cost = -185.734 ../refine.model3.ts-submitted costs 326.508 real_cost = -199.012 ../refine.model2.ts-submitted costs 327.884 real_cost = -180.529 ../refine.model1.ts-submitted costs 314.709 real_cost = -180.971 ../model5.ts-submitted costs 652.892 real_cost = -14.624 ../model4.ts-submitted costs 844.434 real_cost = 69.275 ../model3.ts-submitted costs 336.653 real_cost = 64.578 ../model2.ts-submitted costs 346.345 real_cost = 19.051 ../model1.ts-submitted costs 327.231 real_cost = 19.320 align5 costs 787.621 real_cost = 30.261 align4 costs 683.838 real_cost = 53.681 align3 costs 689.904 real_cost = -25.816 align2 costs 856.175 real_cost = 58.772 align1 costs 1068.984 real_cost = 149.769 T0368.try1-opt2.pdb costs 331.387 real_cost = 21.615 model5-scwrl costs 681.674 real_cost = -4.638 model5.ts-submitted costs 652.892 real_cost = -14.624 model4-scwrl costs 875.424 real_cost = 80.668 model4.ts-submitted costs 844.434 real_cost = 69.275 model3-scwrl costs 341.134 real_cost = 63.004 model3.ts-submitted costs 336.653 real_cost = 64.578 model2-scwrl costs 349.527 real_cost = 16.412 model2.ts-submitted costs 346.345 real_cost = 19.051 model1-scwrl costs 335.001 real_cost = 19.789 model1.ts-submitted costs 327.231 real_cost = 19.320 2hr2A costs 1270.592 real_cost = -856.000 # command:CPU_time= 666.062 sec, elapsed time= 2204.308 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/T0368'