make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0302' 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/T0302.} ;\ 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/T0302/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2h33A/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1173896831 # 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= 6.08008 sec, elapsed time= 12.3121 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= 6.15906 sec, elapsed time= 12.4932 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0302 numbered 1 through 132 Created new target T0302 from T0302.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# 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 T0302.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 T0302.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 T0302.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= 8.88565 sec, elapsed time= 18.2619 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 98 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1 # GDT_score = -72.5379 # GDT_score(maxd=8,maxw=2.9)= -77.8075 # GDT_score(maxd=8,maxw=3.2)= -73.0392 # GDT_score(maxd=8,maxw=3.5)= -68.6029 # GDT_score(maxd=10,maxw=3.8)= -71.5499 # GDT_score(maxd=10,maxw=4)= -68.8223 # GDT_score(maxd=10,maxw=4.2)= -66.1808 # GDT_score(maxd=12,maxw=4.3)= -70.2615 # GDT_score(maxd=12,maxw=4.5)= -67.7198 # GDT_score(maxd=12,maxw=4.7)= -65.3238 # GDT_score(maxd=14,maxw=5.2)= -63.7861 # GDT_score(maxd=14,maxw=5.5)= -60.6792 # 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 SER A 1 -10.569 -4.859 -4.809 1.00 0.00 ATOM 2 CA SER A 1 -11.813 -5.479 -5.352 1.00 0.00 ATOM 3 CB SER A 1 -11.624 -6.985 -5.542 1.00 0.00 ATOM 4 OG SER A 1 -11.511 -7.646 -4.293 1.00 0.00 ATOM 5 O SER A 1 -12.807 -4.880 -3.244 1.00 0.00 ATOM 6 C SER A 1 -12.992 -5.254 -4.405 1.00 0.00 ATOM 7 N MET A 2 -14.202 -5.496 -4.901 1.00 0.00 ATOM 8 CA MET A 2 -15.408 -5.329 -4.090 1.00 0.00 ATOM 9 CB MET A 2 -16.660 -5.557 -4.940 1.00 0.00 ATOM 10 CG MET A 2 -16.918 -4.467 -5.970 1.00 0.00 ATOM 11 SD MET A 2 -18.396 -4.777 -6.954 1.00 0.00 ATOM 12 CE MET A 2 -19.677 -4.563 -5.719 1.00 0.00 ATOM 13 O MET A 2 -14.793 -7.435 -3.127 1.00 0.00 ATOM 14 C MET A 2 -15.357 -6.349 -2.962 1.00 0.00 ATOM 15 N VAL A 3 -15.863 -5.970 -1.790 1.00 0.00 ATOM 16 CA VAL A 3 -15.874 -6.870 -0.644 1.00 0.00 ATOM 17 CB VAL A 3 -14.789 -6.484 0.388 1.00 0.00 ATOM 18 CG1 VAL A 3 -13.386 -6.487 -0.284 1.00 0.00 ATOM 19 CG2 VAL A 3 -15.074 -5.141 1.016 1.00 0.00 ATOM 20 O VAL A 3 -18.111 -6.038 -0.197 1.00 0.00 ATOM 21 C VAL A 3 -17.241 -6.897 0.038 1.00 0.00 ATOM 22 N SER A 4 -17.401 -7.914 0.866 1.00 0.00 ATOM 23 CA SER A 4 -18.622 -8.088 1.645 1.00 0.00 ATOM 24 CB SER A 4 -18.643 -9.470 2.312 1.00 0.00 ATOM 25 OG SER A 4 -17.679 -9.556 3.347 1.00 0.00 ATOM 26 O SER A 4 -17.768 -6.355 3.100 1.00 0.00 ATOM 27 C SER A 4 -18.733 -6.983 2.683 1.00 0.00 ATOM 28 N PRO A 5 -19.944 -6.751 3.144 1.00 0.00 ATOM 29 CA PRO A 5 -20.154 -5.819 4.252 1.00 0.00 ATOM 30 CB PRO A 5 -21.649 -5.936 4.557 1.00 0.00 ATOM 31 CG PRO A 5 -22.269 -6.302 3.249 1.00 0.00 ATOM 32 CD PRO A 5 -21.321 -7.266 2.594 1.00 0.00 ATOM 33 O PRO A 5 -18.766 -5.270 6.108 1.00 0.00 ATOM 34 C PRO A 5 -19.328 -6.180 5.472 1.00 0.00 ATOM 35 N GLU A 6 -19.242 -7.437 5.854 1.00 0.00 ATOM 36 CA GLU A 6 -18.479 -7.825 7.033 1.00 0.00 ATOM 37 CB GLU A 6 -18.600 -9.331 7.277 1.00 0.00 ATOM 38 CG GLU A 6 -19.970 -9.773 7.763 1.00 0.00 ATOM 39 CD GLU A 6 -20.089 -11.280 7.877 1.00 0.00 ATOM 40 OE1 GLU A 6 -19.128 -11.981 7.506 1.00 0.00 ATOM 41 OE2 GLU A 6 -21.148 -11.758 8.336 1.00 0.00 ATOM 42 O GLU A 6 -16.379 -6.965 7.773 1.00 0.00 ATOM 43 C GLU A 6 -16.998 -7.482 6.849 1.00 0.00 ATOM 44 N GLU A 7 -16.447 -7.801 5.666 1.00 0.00 ATOM 45 CA GLU A 7 -15.040 -7.495 5.406 1.00 0.00 ATOM 46 CB GLU A 7 -14.562 -8.042 4.050 1.00 0.00 ATOM 47 CG GLU A 7 -14.554 -9.569 4.056 1.00 0.00 ATOM 48 CD GLU A 7 -14.413 -10.232 2.705 1.00 0.00 ATOM 49 OE1 GLU A 7 -14.936 -9.852 1.632 1.00 0.00 ATOM 50 OE2 GLU A 7 -13.707 -11.280 2.701 1.00 0.00 ATOM 51 O GLU A 7 -13.797 -5.530 6.023 1.00 0.00 ATOM 52 C GLU A 7 -14.781 -5.991 5.431 1.00 0.00 ATOM 53 N ALA A 8 -15.682 -5.216 4.840 1.00 0.00 ATOM 54 CA ALA A 8 -15.510 -3.767 4.818 1.00 0.00 ATOM 55 CB ALA A 8 -16.614 -3.114 3.998 1.00 0.00 ATOM 56 O ALA A 8 -14.713 -2.387 6.613 1.00 0.00 ATOM 57 C ALA A 8 -15.563 -3.189 6.233 1.00 0.00 ATOM 58 N VAL A 9 -16.526 -3.639 7.031 1.00 0.00 ATOM 59 CA VAL A 9 -16.645 -3.160 8.403 1.00 0.00 ATOM 60 CB VAL A 9 -17.862 -3.783 9.113 1.00 0.00 ATOM 61 CG1 VAL A 9 -17.852 -3.430 10.593 1.00 0.00 ATOM 62 CG2 VAL A 9 -19.157 -3.265 8.505 1.00 0.00 ATOM 63 O VAL A 9 -14.865 -2.699 9.978 1.00 0.00 ATOM 64 C VAL A 9 -15.388 -3.520 9.231 1.00 0.00 ATOM 65 N LYS A 10 -14.904 -4.751 9.089 1.00 0.00 ATOM 66 CA LYS A 10 -13.720 -5.186 9.796 1.00 0.00 ATOM 67 CB LYS A 10 -13.397 -6.643 9.456 1.00 0.00 ATOM 68 CG LYS A 10 -14.382 -7.645 10.031 1.00 0.00 ATOM 69 CD LYS A 10 -14.006 -9.070 9.650 1.00 0.00 ATOM 70 CE LYS A 10 -14.994 -10.073 10.222 1.00 0.00 ATOM 71 NZ LYS A 10 -14.655 -11.470 9.830 1.00 0.00 ATOM 72 O LYS A 10 -11.565 -4.230 10.224 1.00 0.00 ATOM 73 C LYS A 10 -12.502 -4.342 9.431 1.00 0.00 ATOM 74 N TRP A 11 -12.490 -3.781 8.198 1.00 0.00 ATOM 75 CA TRP A 11 -11.346 -2.962 7.814 1.00 0.00 ATOM 76 CB TRP A 11 -11.520 -2.434 6.389 1.00 0.00 ATOM 77 CG TRP A 11 -11.403 -3.495 5.337 1.00 0.00 ATOM 78 CD1 TRP A 11 -10.998 -4.786 5.517 1.00 0.00 ATOM 79 CD2 TRP A 11 -11.695 -3.355 3.940 1.00 0.00 ATOM 80 CE2 TRP A 11 -11.443 -4.603 3.337 1.00 0.00 ATOM 81 CE3 TRP A 11 -12.145 -2.299 3.144 1.00 0.00 ATOM 82 NE1 TRP A 11 -11.019 -5.460 4.320 1.00 0.00 ATOM 83 CZ2 TRP A 11 -11.627 -4.822 1.972 1.00 0.00 ATOM 84 CZ3 TRP A 11 -12.323 -2.519 1.792 1.00 0.00 ATOM 85 CH2 TRP A 11 -12.067 -3.770 1.216 1.00 0.00 ATOM 86 O TRP A 11 -10.135 -1.314 9.054 1.00 0.00 ATOM 87 C TRP A 11 -11.236 -1.777 8.767 1.00 0.00 ATOM 88 N GLY A 12 -12.371 -1.320 9.284 1.00 0.00 ATOM 89 CA GLY A 12 -12.364 -0.211 10.222 1.00 0.00 ATOM 90 O GLY A 12 -11.836 0.365 12.476 1.00 0.00 ATOM 91 C GLY A 12 -11.936 -0.539 11.641 1.00 0.00 ATOM 92 N GLU A 13 -11.675 -1.819 11.918 1.00 0.00 ATOM 93 CA GLU A 13 -11.266 -2.227 13.265 1.00 0.00 ATOM 94 CB GLU A 13 -11.165 -3.750 13.355 1.00 0.00 ATOM 95 CG GLU A 13 -12.501 -4.467 13.266 1.00 0.00 ATOM 96 CD GLU A 13 -13.445 -4.089 14.390 1.00 0.00 ATOM 97 OE1 GLU A 13 -13.042 -4.206 15.568 1.00 0.00 ATOM 98 OE2 GLU A 13 -14.584 -3.674 14.096 1.00 0.00 ATOM 99 O GLU A 13 -9.757 -0.898 14.581 1.00 0.00 ATOM 100 C GLU A 13 -9.908 -1.612 13.586 1.00 0.00 ATOM 101 N SER A 14 -8.803 -1.865 12.687 1.00 0.00 ATOM 102 CA SER A 14 -7.521 -1.197 12.909 1.00 0.00 ATOM 103 CB SER A 14 -6.638 -1.955 13.888 1.00 0.00 ATOM 104 OG SER A 14 -6.189 -3.218 13.340 1.00 0.00 ATOM 105 O SER A 14 -7.106 -1.869 10.644 1.00 0.00 ATOM 106 C SER A 14 -6.741 -1.187 11.604 1.00 0.00 ATOM 107 N PHE A 15 -5.647 -0.497 11.583 1.00 0.00 ATOM 108 CA PHE A 15 -4.821 -0.413 10.390 1.00 0.00 ATOM 109 CB PHE A 15 -3.834 0.851 10.636 1.00 0.00 ATOM 110 CG PHE A 15 -2.938 1.140 9.457 1.00 0.00 ATOM 111 CD1 PHE A 15 -3.342 2.033 8.482 1.00 0.00 ATOM 112 CD2 PHE A 15 -1.704 0.530 9.340 1.00 0.00 ATOM 113 CE1 PHE A 15 -2.533 2.311 7.392 1.00 0.00 ATOM 114 CE2 PHE A 15 -0.884 0.791 8.247 1.00 0.00 ATOM 115 CZ PHE A 15 -1.306 1.679 7.276 1.00 0.00 ATOM 116 O PHE A 15 -3.932 -1.975 8.812 1.00 0.00 ATOM 117 C PHE A 15 -4.123 -1.709 9.997 1.00 0.00 ATOM 118 N ASP A 16 -3.739 -2.511 10.973 1.00 0.00 ATOM 119 CA ASP A 16 -3.073 -3.775 10.687 1.00 0.00 ATOM 120 CB ASP A 16 -2.595 -4.464 11.965 1.00 0.00 ATOM 121 CG ASP A 16 -1.783 -5.713 11.687 1.00 0.00 ATOM 122 OD1 ASP A 16 -0.714 -5.597 11.049 1.00 0.00 ATOM 123 OD2 ASP A 16 -2.214 -6.808 12.105 1.00 0.00 ATOM 124 O ASP A 16 -3.464 -5.479 9.038 1.00 0.00 ATOM 125 C ASP A 16 -3.967 -4.763 9.913 1.00 0.00 ATOM 126 N LYS A 17 -5.258 -4.786 10.250 1.00 0.00 ATOM 127 CA LYS A 17 -6.196 -5.682 9.564 1.00 0.00 ATOM 128 CB LYS A 17 -7.588 -5.547 10.240 1.00 0.00 ATOM 129 CG LYS A 17 -7.566 -6.243 11.614 1.00 0.00 ATOM 130 CD LYS A 17 -8.956 -6.105 12.291 1.00 0.00 ATOM 131 CE LYS A 17 -9.030 -7.059 13.492 1.00 0.00 ATOM 132 NZ LYS A 17 -10.344 -6.821 14.180 1.00 0.00 ATOM 133 O LYS A 17 -6.370 -6.181 7.229 1.00 0.00 ATOM 134 C LYS A 17 -6.315 -5.311 8.090 1.00 0.00 ATOM 135 N LEU A 18 -6.326 -4.013 7.802 1.00 0.00 ATOM 136 CA LEU A 18 -6.420 -3.552 6.421 1.00 0.00 ATOM 137 CB LEU A 18 -6.617 -2.034 6.375 1.00 0.00 ATOM 138 CG LEU A 18 -6.718 -1.406 4.984 1.00 0.00 ATOM 139 CD1 LEU A 18 -7.913 -1.967 4.226 1.00 0.00 ATOM 140 CD2 LEU A 18 -6.886 0.102 5.087 1.00 0.00 ATOM 141 O LEU A 18 -5.183 -4.580 4.611 1.00 0.00 ATOM 142 C LEU A 18 -5.141 -3.901 5.647 1.00 0.00 ATOM 143 N LEU A 19 -3.995 -3.485 6.175 1.00 0.00 ATOM 144 CA LEU A 19 -2.726 -3.711 5.480 1.00 0.00 ATOM 145 CB LEU A 19 -1.603 -2.834 6.154 1.00 0.00 ATOM 146 CG LEU A 19 -0.229 -2.987 5.488 1.00 0.00 ATOM 147 CD1 LEU A 19 -0.224 -2.548 4.033 1.00 0.00 ATOM 148 CD2 LEU A 19 0.823 -2.192 6.253 1.00 0.00 ATOM 149 O LEU A 19 -1.590 -5.551 4.421 1.00 0.00 ATOM 150 C LEU A 19 -2.285 -5.180 5.370 1.00 0.00 ATOM 151 N SER A 20 -2.714 -6.007 6.323 1.00 0.00 ATOM 152 CA SER A 20 -2.381 -7.426 6.331 1.00 0.00 ATOM 153 CB SER A 20 -2.415 -7.972 7.761 1.00 0.00 ATOM 154 OG SER A 20 -3.720 -7.896 8.304 1.00 0.00 ATOM 155 O SER A 20 -3.196 -9.457 5.360 1.00 0.00 ATOM 156 C SER A 20 -3.322 -8.241 5.444 1.00 0.00 ATOM 157 N HIS A 21 -4.305 -7.581 4.843 1.00 0.00 ATOM 158 CA HIS A 21 -5.249 -8.250 3.955 1.00 0.00 ATOM 159 CB HIS A 21 -6.664 -7.755 4.257 1.00 0.00 ATOM 160 CG HIS A 21 -7.736 -8.514 3.541 1.00 0.00 ATOM 161 CD2 HIS A 21 -8.595 -9.648 3.854 1.00 0.00 ATOM 162 ND1 HIS A 21 -8.143 -8.202 2.260 1.00 0.00 ATOM 163 CE1 HIS A 21 -9.114 -9.053 1.889 1.00 0.00 ATOM 164 NE2 HIS A 21 -9.391 -9.924 2.841 1.00 0.00 ATOM 165 O HIS A 21 -4.488 -6.697 2.222 1.00 0.00 ATOM 166 C HIS A 21 -4.759 -7.867 2.559 1.00 0.00 ATOM 167 N ARG A 22 -4.731 -8.874 1.625 1.00 0.00 ATOM 168 CA ARG A 22 -4.278 -8.556 0.270 1.00 0.00 ATOM 169 CB ARG A 22 -4.185 -9.756 -0.634 1.00 0.00 ATOM 170 CG ARG A 22 -3.085 -10.716 -0.229 1.00 0.00 ATOM 171 CD ARG A 22 -2.690 -11.721 -1.325 1.00 0.00 ATOM 172 NE ARG A 22 -3.810 -12.607 -1.692 1.00 0.00 ATOM 173 CZ ARG A 22 -4.107 -13.725 -1.065 1.00 0.00 ATOM 174 NH1 ARG A 22 -3.394 -14.141 -0.053 1.00 0.00 ATOM 175 NH2 ARG A 22 -5.141 -14.468 -1.474 1.00 0.00 ATOM 176 O ARG A 22 -4.825 -6.584 -0.988 1.00 0.00 ATOM 177 C ARG A 22 -5.243 -7.591 -0.414 1.00 0.00 ATOM 178 N ASP A 23 -6.540 -7.896 -0.361 1.00 0.00 ATOM 179 CA ASP A 23 -7.533 -7.031 -0.992 1.00 0.00 ATOM 180 CB ASP A 23 -8.923 -7.669 -0.952 1.00 0.00 ATOM 181 CG ASP A 23 -9.055 -8.836 -1.911 1.00 0.00 ATOM 182 OD1 ASP A 23 -8.168 -9.001 -2.773 1.00 0.00 ATOM 183 OD2 ASP A 23 -10.048 -9.586 -1.801 1.00 0.00 ATOM 184 O ASP A 23 -7.827 -4.644 -0.955 1.00 0.00 ATOM 185 C ASP A 23 -7.560 -5.661 -0.309 1.00 0.00 ATOM 186 N GLY A 24 -7.283 -5.652 0.991 1.00 0.00 ATOM 187 CA GLY A 24 -7.258 -4.395 1.723 1.00 0.00 ATOM 188 O GLY A 24 -6.397 -2.307 0.909 1.00 0.00 ATOM 189 C GLY A 24 -6.162 -3.481 1.194 1.00 0.00 ATOM 190 N LEU A 25 -4.948 -4.039 0.971 1.00 0.00 ATOM 191 CA LEU A 25 -3.818 -3.281 0.443 1.00 0.00 ATOM 192 CB LEU A 25 -2.550 -4.150 0.561 1.00 0.00 ATOM 193 CG LEU A 25 -1.239 -3.476 0.139 1.00 0.00 ATOM 194 CD1 LEU A 25 -0.966 -2.252 0.989 1.00 0.00 ATOM 195 CD2 LEU A 25 -0.103 -4.485 0.215 1.00 0.00 ATOM 196 O LEU A 25 -3.682 -1.728 -1.379 1.00 0.00 ATOM 197 C LEU A 25 -4.070 -2.833 -0.990 1.00 0.00 ATOM 198 N GLU A 26 -4.729 -3.682 -1.766 1.00 0.00 ATOM 199 CA GLU A 26 -5.026 -3.337 -3.146 1.00 0.00 ATOM 200 CB GLU A 26 -5.728 -4.521 -3.818 1.00 0.00 ATOM 201 CG GLU A 26 -4.814 -5.703 -4.102 1.00 0.00 ATOM 202 CD GLU A 26 -5.566 -6.899 -4.651 1.00 0.00 ATOM 203 OE1 GLU A 26 -6.810 -6.830 -4.741 1.00 0.00 ATOM 204 OE2 GLU A 26 -4.910 -7.906 -4.993 1.00 0.00 ATOM 205 O GLU A 26 -5.737 -1.148 -3.894 1.00 0.00 ATOM 206 C GLU A 26 -5.967 -2.120 -3.167 1.00 0.00 ATOM 207 N ALA A 27 -7.022 -2.179 -2.370 1.00 0.00 ATOM 208 CA ALA A 27 -7.955 -1.067 -2.299 1.00 0.00 ATOM 209 CB ALA A 27 -9.125 -1.426 -1.395 1.00 0.00 ATOM 210 O ALA A 27 -7.473 1.282 -2.271 1.00 0.00 ATOM 211 C ALA A 27 -7.262 0.182 -1.765 1.00 0.00 ATOM 212 N PHE A 28 -6.468 0.006 -0.733 1.00 0.00 ATOM 213 CA PHE A 28 -5.753 1.133 -0.148 1.00 0.00 ATOM 214 CB PHE A 28 -5.152 0.639 1.180 1.00 0.00 ATOM 215 CG PHE A 28 -4.485 1.704 1.980 1.00 0.00 ATOM 216 CD1 PHE A 28 -5.278 2.451 2.844 1.00 0.00 ATOM 217 CD2 PHE A 28 -3.129 1.961 1.860 1.00 0.00 ATOM 218 CE1 PHE A 28 -4.752 3.463 3.625 1.00 0.00 ATOM 219 CE2 PHE A 28 -2.561 2.991 2.642 1.00 0.00 ATOM 220 CZ PHE A 28 -3.402 3.714 3.480 1.00 0.00 ATOM 221 O PHE A 28 -4.568 2.966 -1.156 1.00 0.00 ATOM 222 C PHE A 28 -4.801 1.760 -1.174 1.00 0.00 ATOM 223 N THR A 29 -4.224 0.924 -2.035 1.00 0.00 ATOM 224 CA THR A 29 -3.302 1.399 -3.068 1.00 0.00 ATOM 225 CB THR A 29 -2.726 0.231 -3.891 1.00 0.00 ATOM 226 CG2 THR A 29 -1.812 0.754 -4.987 1.00 0.00 ATOM 227 OG1 THR A 29 -1.974 -0.636 -3.033 1.00 0.00 ATOM 228 O THR A 29 -3.382 3.349 -4.459 1.00 0.00 ATOM 229 C THR A 29 -3.984 2.352 -4.053 1.00 0.00 ATOM 230 N ARG A 30 -5.223 2.055 -4.458 1.00 0.00 ATOM 231 CA ARG A 30 -5.944 2.941 -5.389 1.00 0.00 ATOM 232 CB ARG A 30 -7.243 2.317 -5.853 1.00 0.00 ATOM 233 CG ARG A 30 -7.036 0.943 -6.543 1.00 0.00 ATOM 234 CD ARG A 30 -8.253 0.570 -7.393 1.00 0.00 ATOM 235 NE ARG A 30 -9.493 0.349 -6.650 1.00 0.00 ATOM 236 CZ ARG A 30 -9.790 -0.762 -5.983 1.00 0.00 ATOM 237 NH1 ARG A 30 -8.920 -1.770 -5.999 1.00 0.00 ATOM 238 NH2 ARG A 30 -10.904 -0.985 -5.279 1.00 0.00 ATOM 239 O ARG A 30 -5.933 5.351 -5.403 1.00 0.00 ATOM 240 C ARG A 30 -6.124 4.319 -4.763 1.00 0.00 ATOM 241 N PHE A 31 -6.510 4.320 -3.499 1.00 0.00 ATOM 242 CA PHE A 31 -6.716 5.555 -2.772 1.00 0.00 ATOM 243 CB PHE A 31 -7.422 5.245 -1.401 1.00 0.00 ATOM 244 CG PHE A 31 -7.613 6.490 -0.569 1.00 0.00 ATOM 245 CD1 PHE A 31 -8.713 7.301 -0.842 1.00 0.00 ATOM 246 CD2 PHE A 31 -6.731 6.866 0.420 1.00 0.00 ATOM 247 CE1 PHE A 31 -8.899 8.466 -0.124 1.00 0.00 ATOM 248 CE2 PHE A 31 -6.917 8.031 1.145 1.00 0.00 ATOM 249 CZ PHE A 31 -8.011 8.839 0.870 1.00 0.00 ATOM 250 O PHE A 31 -5.370 7.554 -2.740 1.00 0.00 ATOM 251 C PHE A 31 -5.397 6.326 -2.627 1.00 0.00 ATOM 252 N LEU A 32 -4.314 5.619 -2.333 1.00 0.00 ATOM 253 CA LEU A 32 -3.011 6.286 -2.185 1.00 0.00 ATOM 254 CB LEU A 32 -1.975 5.314 -1.714 1.00 0.00 ATOM 255 CG LEU A 32 -2.065 4.947 -0.264 1.00 0.00 ATOM 256 CD1 LEU A 32 -1.081 3.816 -0.015 1.00 0.00 ATOM 257 CD2 LEU A 32 -1.664 6.066 0.648 1.00 0.00 ATOM 258 O LEU A 32 -2.093 8.092 -3.455 1.00 0.00 ATOM 259 C LEU A 32 -2.597 6.969 -3.478 1.00 0.00 ATOM 260 N LYS A 33 -2.811 6.301 -4.603 1.00 0.00 ATOM 261 CA LYS A 33 -2.468 6.880 -5.895 1.00 0.00 ATOM 262 CB LYS A 33 -2.755 5.892 -7.027 1.00 0.00 ATOM 263 CG LYS A 33 -2.337 6.386 -8.401 1.00 0.00 ATOM 264 CD LYS A 33 -2.564 5.322 -9.463 1.00 0.00 ATOM 265 CE LYS A 33 -2.170 5.824 -10.842 1.00 0.00 ATOM 266 NZ LYS A 33 -2.408 4.799 -11.895 1.00 0.00 ATOM 267 O LYS A 33 -2.807 9.150 -6.617 1.00 0.00 ATOM 268 C LYS A 33 -3.299 8.141 -6.102 1.00 0.00 ATOM 269 N THR A 34 -4.559 8.061 -5.707 1.00 0.00 ATOM 270 CA THR A 34 -5.456 9.203 -5.840 1.00 0.00 ATOM 271 CB THR A 34 -6.826 8.937 -5.236 1.00 0.00 ATOM 272 CG2 THR A 34 -7.776 10.102 -5.487 1.00 0.00 ATOM 273 OG1 THR A 34 -7.434 7.866 -5.965 1.00 0.00 ATOM 274 O THR A 34 -5.077 11.549 -5.444 1.00 0.00 ATOM 275 C THR A 34 -4.951 10.394 -5.023 1.00 0.00 ATOM 276 N GLU A 35 -4.354 10.096 -3.877 1.00 0.00 ATOM 277 CA GLU A 35 -3.808 11.111 -2.983 1.00 0.00 ATOM 278 CB GLU A 35 -4.229 10.577 -1.441 1.00 0.00 ATOM 279 CG GLU A 35 -4.239 11.561 -0.283 1.00 0.00 ATOM 280 CD GLU A 35 -5.526 12.343 -0.240 1.00 0.00 ATOM 281 OE1 GLU A 35 -6.608 11.749 0.097 1.00 0.00 ATOM 282 OE2 GLU A 35 -5.480 13.539 -0.576 1.00 0.00 ATOM 283 O GLU A 35 -1.659 12.041 -2.484 1.00 0.00 ATOM 284 C GLU A 35 -2.330 11.395 -3.275 1.00 0.00 ATOM 285 N PHE A 36 -1.813 10.846 -4.371 1.00 0.00 ATOM 286 CA PHE A 36 -0.421 11.060 -4.779 1.00 0.00 ATOM 287 CB PHE A 36 -0.091 12.552 -4.859 1.00 0.00 ATOM 288 CG PHE A 36 -0.941 13.308 -5.837 1.00 0.00 ATOM 289 CD1 PHE A 36 -2.011 14.072 -5.399 1.00 0.00 ATOM 290 CD2 PHE A 36 -0.676 13.259 -7.193 1.00 0.00 ATOM 291 CE1 PHE A 36 -2.793 14.772 -6.300 1.00 0.00 ATOM 292 CE2 PHE A 36 -1.459 13.955 -8.093 1.00 0.00 ATOM 293 CZ PHE A 36 -2.515 14.709 -7.651 1.00 0.00 ATOM 294 O PHE A 36 1.804 11.016 -3.859 1.00 0.00 ATOM 295 C PHE A 36 0.690 10.489 -3.883 1.00 0.00 ATOM 296 N SER A 37 0.420 9.403 -3.169 1.00 0.00 ATOM 297 CA SER A 37 1.459 8.811 -2.338 1.00 0.00 ATOM 298 CB SER A 37 1.200 9.096 -0.857 1.00 0.00 ATOM 299 OG SER A 37 -0.107 8.697 -0.482 1.00 0.00 ATOM 300 O SER A 37 1.705 6.520 -1.641 1.00 0.00 ATOM 301 C SER A 37 1.471 7.301 -2.563 1.00 0.00 ATOM 302 N GLU A 38 1.190 6.880 -3.863 1.00 0.00 ATOM 303 CA GLU A 38 1.157 5.477 -4.232 1.00 0.00 ATOM 304 CB GLU A 38 0.916 5.322 -5.735 1.00 0.00 ATOM 305 CG GLU A 38 0.805 3.879 -6.201 1.00 0.00 ATOM 306 CD GLU A 38 0.510 3.767 -7.682 1.00 0.00 ATOM 307 OE1 GLU A 38 0.373 4.818 -8.342 1.00 0.00 ATOM 308 OE2 GLU A 38 0.415 2.627 -8.185 1.00 0.00 ATOM 309 O GLU A 38 2.293 3.457 -3.616 1.00 0.00 ATOM 310 C GLU A 38 2.399 4.639 -3.989 1.00 0.00 ATOM 311 N GLU A 39 3.573 5.234 -4.185 1.00 0.00 ATOM 312 CA GLU A 39 4.832 4.512 -4.011 1.00 0.00 ATOM 313 CB GLU A 39 5.991 5.321 -4.582 1.00 0.00 ATOM 314 CG GLU A 39 5.936 5.463 -6.058 1.00 0.00 ATOM 315 CD GLU A 39 6.791 6.465 -6.718 1.00 0.00 ATOM 316 OE1 GLU A 39 7.124 7.429 -6.006 1.00 0.00 ATOM 317 OE2 GLU A 39 7.130 6.370 -7.908 1.00 0.00 ATOM 318 O GLU A 39 5.972 3.209 -2.343 1.00 0.00 ATOM 319 C GLU A 39 5.126 4.075 -2.572 1.00 0.00 ATOM 320 N ASN A 40 4.435 4.666 -1.623 1.00 0.00 ATOM 321 CA ASN A 40 4.612 4.352 -0.203 1.00 0.00 ATOM 322 CB ASN A 40 3.629 5.155 0.649 1.00 0.00 ATOM 323 CG ASN A 40 4.009 6.619 0.757 1.00 0.00 ATOM 324 ND2 ASN A 40 3.061 7.447 1.177 1.00 0.00 ATOM 325 OD1 ASN A 40 5.144 6.997 0.463 1.00 0.00 ATOM 326 O ASN A 40 5.153 2.131 0.592 1.00 0.00 ATOM 327 C ASN A 40 4.357 2.851 0.001 1.00 0.00 ATOM 328 N ILE A 41 3.218 2.392 -0.525 1.00 0.00 ATOM 329 CA ILE A 41 2.834 0.997 -0.402 1.00 0.00 ATOM 330 CB ILE A 41 1.393 0.731 -0.877 1.00 0.00 ATOM 331 CG1 ILE A 41 0.415 1.604 -0.083 1.00 0.00 ATOM 332 CG2 ILE A 41 1.028 -0.738 -0.701 1.00 0.00 ATOM 333 CD1 ILE A 41 0.482 1.423 1.431 1.00 0.00 ATOM 334 O ILE A 41 4.050 -1.044 -0.745 1.00 0.00 ATOM 335 C ILE A 41 3.750 0.058 -1.194 1.00 0.00 ATOM 336 N GLU A 42 4.195 0.494 -2.370 1.00 0.00 ATOM 337 CA GLU A 42 5.104 -0.334 -3.155 1.00 0.00 ATOM 338 CB GLU A 42 5.455 0.360 -4.474 1.00 0.00 ATOM 339 CG GLU A 42 4.301 0.447 -5.457 1.00 0.00 ATOM 340 CD GLU A 42 4.649 1.246 -6.697 1.00 0.00 ATOM 341 OE1 GLU A 42 5.769 1.795 -6.754 1.00 0.00 ATOM 342 OE2 GLU A 42 3.803 1.323 -7.611 1.00 0.00 ATOM 343 O GLU A 42 6.866 -1.696 -2.266 1.00 0.00 ATOM 344 C GLU A 42 6.373 -0.570 -2.345 1.00 0.00 ATOM 345 N PHE A 43 6.868 0.478 -1.709 1.00 0.00 ATOM 346 CA PHE A 43 8.073 0.392 -0.888 1.00 0.00 ATOM 347 CB PHE A 43 8.437 1.776 -0.349 1.00 0.00 ATOM 348 CG PHE A 43 9.642 1.782 0.547 1.00 0.00 ATOM 349 CD1 PHE A 43 10.920 1.743 0.014 1.00 0.00 ATOM 350 CD2 PHE A 43 9.500 1.820 1.922 1.00 0.00 ATOM 351 CE1 PHE A 43 12.029 1.748 0.836 1.00 0.00 ATOM 352 CE2 PHE A 43 10.609 1.822 2.746 1.00 0.00 ATOM 353 CZ PHE A 43 11.870 1.788 2.210 1.00 0.00 ATOM 354 O PHE A 43 8.750 -1.276 0.672 1.00 0.00 ATOM 355 C PHE A 43 7.860 -0.510 0.316 1.00 0.00 ATOM 356 N TRP A 44 6.687 -0.408 0.955 1.00 0.00 ATOM 357 CA TRP A 44 6.421 -1.244 2.118 1.00 0.00 ATOM 358 CB TRP A 44 5.032 -0.934 2.677 1.00 0.00 ATOM 359 CG TRP A 44 4.666 -1.764 3.870 1.00 0.00 ATOM 360 CD1 TRP A 44 4.974 -1.505 5.173 1.00 0.00 ATOM 361 CD2 TRP A 44 3.922 -2.990 3.867 1.00 0.00 ATOM 362 CE2 TRP A 44 3.817 -3.415 5.206 1.00 0.00 ATOM 363 CE3 TRP A 44 3.334 -3.766 2.864 1.00 0.00 ATOM 364 NE1 TRP A 44 4.470 -2.492 5.985 1.00 0.00 ATOM 365 CZ2 TRP A 44 3.150 -4.585 5.567 1.00 0.00 ATOM 366 CZ3 TRP A 44 2.673 -4.924 3.228 1.00 0.00 ATOM 367 CH2 TRP A 44 2.583 -5.325 4.566 1.00 0.00 ATOM 368 O TRP A 44 7.064 -3.564 2.402 1.00 0.00 ATOM 369 C TRP A 44 6.468 -2.729 1.709 1.00 0.00 ATOM 370 N ILE A 45 5.869 -3.047 0.574 1.00 0.00 ATOM 371 CA ILE A 45 5.823 -4.442 0.120 1.00 0.00 ATOM 372 CB ILE A 45 4.943 -4.600 -1.134 1.00 0.00 ATOM 373 CG1 ILE A 45 3.472 -4.370 -0.785 1.00 0.00 ATOM 374 CG2 ILE A 45 5.086 -5.999 -1.714 1.00 0.00 ATOM 375 CD1 ILE A 45 2.570 -4.244 -1.993 1.00 0.00 ATOM 376 O ILE A 45 7.580 -6.093 0.140 1.00 0.00 ATOM 377 C ILE A 45 7.225 -4.962 -0.212 1.00 0.00 ATOM 378 N ALA A 46 8.028 -4.144 -0.889 1.00 0.00 ATOM 379 CA ALA A 46 9.390 -4.563 -1.238 1.00 0.00 ATOM 380 CB ALA A 46 10.066 -3.471 -2.068 1.00 0.00 ATOM 381 O ALA A 46 10.896 -5.871 0.085 1.00 0.00 ATOM 382 C ALA A 46 10.163 -4.889 0.032 1.00 0.00 ATOM 383 N CYS A 47 9.993 -4.059 1.059 1.00 0.00 ATOM 384 CA CYS A 47 10.678 -4.276 2.329 1.00 0.00 ATOM 385 CB CYS A 47 10.433 -3.123 3.300 1.00 0.00 ATOM 386 SG CYS A 47 11.143 -1.567 2.778 1.00 0.00 ATOM 387 O CYS A 47 10.996 -6.326 3.537 1.00 0.00 ATOM 388 C CYS A 47 10.197 -5.569 2.983 1.00 0.00 ATOM 389 N GLU A 48 8.894 -5.818 2.911 1.00 0.00 ATOM 390 CA GLU A 48 8.331 -7.043 3.481 1.00 0.00 ATOM 391 CB GLU A 48 6.889 -7.207 3.208 1.00 0.00 ATOM 392 CG GLU A 48 6.193 -8.222 4.114 1.00 0.00 ATOM 393 CD GLU A 48 6.213 -7.817 5.582 1.00 0.00 ATOM 394 OE1 GLU A 48 6.003 -6.622 5.874 1.00 0.00 ATOM 395 OE2 GLU A 48 6.424 -8.696 6.444 1.00 0.00 ATOM 396 O GLU A 48 9.360 -9.214 3.469 1.00 0.00 ATOM 397 C GLU A 48 8.972 -8.251 2.806 1.00 0.00 ATOM 398 N ASP A 49 9.095 -8.189 1.485 1.00 0.00 ATOM 399 CA ASP A 49 9.713 -9.268 0.723 1.00 0.00 ATOM 400 CB ASP A 49 9.652 -8.967 -0.777 1.00 0.00 ATOM 401 CG ASP A 49 8.253 -9.110 -1.344 1.00 0.00 ATOM 402 OD1 ASP A 49 7.382 -9.663 -0.641 1.00 0.00 ATOM 403 OD2 ASP A 49 8.029 -8.666 -2.488 1.00 0.00 ATOM 404 O ASP A 49 11.694 -10.551 1.179 1.00 0.00 ATOM 405 C ASP A 49 11.190 -9.436 1.097 1.00 0.00 ATOM 406 N PHE A 50 11.900 -8.360 1.321 1.00 0.00 ATOM 407 CA PHE A 50 13.324 -8.370 1.709 1.00 0.00 ATOM 408 CB PHE A 50 13.824 -6.942 1.947 1.00 0.00 ATOM 409 CG PHE A 50 15.250 -6.869 2.414 1.00 0.00 ATOM 410 CD1 PHE A 50 16.294 -6.966 1.510 1.00 0.00 ATOM 411 CD2 PHE A 50 15.547 -6.703 3.754 1.00 0.00 ATOM 412 CE1 PHE A 50 17.606 -6.897 1.939 1.00 0.00 ATOM 413 CE2 PHE A 50 16.859 -6.635 4.182 1.00 0.00 ATOM 414 CZ PHE A 50 17.887 -6.732 3.281 1.00 0.00 ATOM 415 O PHE A 50 14.625 -9.867 3.090 1.00 0.00 ATOM 416 C PHE A 50 13.650 -9.108 3.010 1.00 0.00 ATOM 417 N LYS A 51 12.838 -8.883 4.010 1.00 0.00 ATOM 418 CA LYS A 51 13.051 -9.502 5.307 1.00 0.00 ATOM 419 CB LYS A 51 12.020 -8.823 6.301 1.00 0.00 ATOM 420 CG LYS A 51 12.100 -9.463 7.686 1.00 0.00 ATOM 421 CD LYS A 51 11.192 -8.843 8.698 1.00 0.00 ATOM 422 CE LYS A 51 11.415 -9.444 10.091 1.00 0.00 ATOM 423 NZ LYS A 51 10.353 -8.910 10.972 1.00 0.00 ATOM 424 O LYS A 51 13.769 -11.663 6.004 1.00 0.00 ATOM 425 C LYS A 51 13.025 -11.013 5.267 1.00 0.00 ATOM 426 N LYS A 52 12.189 -11.555 4.409 1.00 0.00 ATOM 427 CA LYS A 52 12.092 -13.007 4.279 1.00 0.00 ATOM 428 CB LYS A 52 10.894 -13.399 3.413 1.00 0.00 ATOM 429 CG LYS A 52 9.549 -12.979 3.986 1.00 0.00 ATOM 430 CD LYS A 52 8.410 -13.365 3.058 1.00 0.00 ATOM 431 CE LYS A 52 7.066 -12.954 3.636 1.00 0.00 ATOM 432 NZ LYS A 52 5.935 -13.350 2.750 1.00 0.00 ATOM 433 O LYS A 52 13.506 -14.854 3.731 1.00 0.00 ATOM 434 C LYS A 52 13.368 -13.654 3.691 1.00 0.00 ATOM 435 N SER A 53 14.257 -12.854 3.091 1.00 0.00 ATOM 436 CA SER A 53 15.439 -13.388 2.432 1.00 0.00 ATOM 437 CB SER A 53 16.095 -12.313 1.564 1.00 0.00 ATOM 438 OG SER A 53 17.300 -12.787 0.987 1.00 0.00 ATOM 439 O SER A 53 16.679 -13.120 4.404 1.00 0.00 ATOM 440 C SER A 53 16.409 -13.853 3.465 1.00 0.00 ATOM 441 N LYS A 54 16.933 -15.077 3.339 1.00 0.00 ATOM 442 CA LYS A 54 17.837 -15.667 4.346 1.00 0.00 ATOM 443 CB LYS A 54 17.485 -17.138 4.586 1.00 0.00 ATOM 444 CG LYS A 54 16.122 -17.354 5.223 1.00 0.00 ATOM 445 CD LYS A 54 15.847 -18.832 5.447 1.00 0.00 ATOM 446 CE LYS A 54 14.450 -19.053 6.007 1.00 0.00 ATOM 447 NZ LYS A 54 14.118 -20.502 6.110 1.00 0.00 ATOM 448 O LYS A 54 20.147 -15.669 4.873 1.00 0.00 ATOM 449 C LYS A 54 19.305 -15.661 3.990 1.00 0.00 ATOM 450 N GLY A 55 19.618 -15.709 2.694 1.00 0.00 ATOM 451 CA GLY A 55 21.037 -15.719 2.243 1.00 0.00 ATOM 452 O GLY A 55 21.130 -13.350 2.021 1.00 0.00 ATOM 453 C GLY A 55 21.693 -14.365 2.425 1.00 0.00 ATOM 454 N PRO A 56 22.918 -14.344 2.943 1.00 0.00 ATOM 455 CA PRO A 56 23.626 -13.052 3.148 1.00 0.00 ATOM 456 CB PRO A 56 24.965 -13.460 3.761 1.00 0.00 ATOM 457 CG PRO A 56 24.681 -14.743 4.463 1.00 0.00 ATOM 458 CD PRO A 56 23.716 -15.492 3.585 1.00 0.00 ATOM 459 O PRO A 56 23.719 -11.053 1.826 1.00 0.00 ATOM 460 C PRO A 56 23.871 -12.274 1.858 1.00 0.00 ATOM 461 N GLN A 57 24.249 -12.972 0.780 1.00 0.00 ATOM 462 CA GLN A 57 24.526 -12.295 -0.478 1.00 0.00 ATOM 463 CB GLN A 57 25.172 -13.256 -1.476 1.00 0.00 ATOM 464 CG GLN A 57 26.604 -13.635 -1.135 1.00 0.00 ATOM 465 CD GLN A 57 27.173 -14.672 -2.084 1.00 0.00 ATOM 466 OE1 GLN A 57 26.466 -15.191 -2.949 1.00 0.00 ATOM 467 NE2 GLN A 57 28.456 -14.977 -1.926 1.00 0.00 ATOM 468 O GLN A 57 23.293 -10.550 -1.580 1.00 0.00 ATOM 469 C GLN A 57 23.278 -11.689 -1.115 1.00 0.00 ATOM 470 N GLN A 58 22.155 -12.423 -1.133 1.00 0.00 ATOM 471 CA GLN A 58 20.880 -11.960 -1.670 1.00 0.00 ATOM 472 CB GLN A 58 19.837 -13.086 -1.607 1.00 0.00 ATOM 473 CG GLN A 58 20.031 -14.187 -2.634 1.00 0.00 ATOM 474 CD GLN A 58 19.280 -15.455 -2.276 1.00 0.00 ATOM 475 OE1 GLN A 58 18.387 -15.443 -1.427 1.00 0.00 ATOM 476 NE2 GLN A 58 19.638 -16.557 -2.924 1.00 0.00 ATOM 477 O GLN A 58 19.860 -9.815 -1.354 1.00 0.00 ATOM 478 C GLN A 58 20.408 -10.785 -0.831 1.00 0.00 ATOM 479 N ILE A 59 20.627 -10.892 0.465 1.00 0.00 ATOM 480 CA ILE A 59 20.215 -9.814 1.354 1.00 0.00 ATOM 481 CB ILE A 59 20.424 -10.206 2.860 1.00 0.00 ATOM 482 CG1 ILE A 59 19.405 -11.282 3.262 1.00 0.00 ATOM 483 CG2 ILE A 59 20.297 -8.992 3.764 1.00 0.00 ATOM 484 CD1 ILE A 59 19.591 -11.857 4.666 1.00 0.00 ATOM 485 O ILE A 59 20.412 -7.461 0.903 1.00 0.00 ATOM 486 C ILE A 59 20.993 -8.536 1.008 1.00 0.00 ATOM 487 N HIS A 60 22.307 -8.628 0.831 1.00 0.00 ATOM 488 CA HIS A 60 23.102 -7.454 0.473 1.00 0.00 ATOM 489 CB HIS A 60 24.573 -7.847 0.349 1.00 0.00 ATOM 490 CG HIS A 60 25.461 -6.736 -0.118 1.00 0.00 ATOM 491 CD2 HIS A 60 26.145 -6.405 -1.360 1.00 0.00 ATOM 492 ND1 HIS A 60 25.823 -5.682 0.692 1.00 0.00 ATOM 493 CE1 HIS A 60 26.619 -4.849 -0.002 1.00 0.00 ATOM 494 NE2 HIS A 60 26.816 -5.276 -1.234 1.00 0.00 ATOM 495 O HIS A 60 22.524 -5.637 -0.965 1.00 0.00 ATOM 496 C HIS A 60 22.691 -6.871 -0.857 1.00 0.00 ATOM 497 N LEU A 61 22.466 -7.731 -1.839 1.00 0.00 ATOM 498 CA LEU A 61 22.054 -7.272 -3.201 1.00 0.00 ATOM 499 CB LEU A 61 21.963 -8.461 -4.161 1.00 0.00 ATOM 500 CG LEU A 61 21.533 -8.142 -5.594 1.00 0.00 ATOM 501 CD1 LEU A 61 22.533 -7.210 -6.260 1.00 0.00 ATOM 502 CD2 LEU A 61 21.445 -9.414 -6.423 1.00 0.00 ATOM 503 O LEU A 61 20.530 -5.460 -3.740 1.00 0.00 ATOM 504 C LEU A 61 20.675 -6.568 -3.224 1.00 0.00 ATOM 505 N LYS A 62 19.676 -7.163 -2.583 1.00 0.00 ATOM 506 CA LYS A 62 18.371 -6.531 -2.466 1.00 0.00 ATOM 507 CB LYS A 62 17.396 -7.445 -1.723 1.00 0.00 ATOM 508 CG LYS A 62 16.975 -8.676 -2.510 1.00 0.00 ATOM 509 CD LYS A 62 16.008 -9.536 -1.714 1.00 0.00 ATOM 510 CE LYS A 62 15.605 -10.779 -2.492 1.00 0.00 ATOM 511 NZ LYS A 62 14.683 -11.649 -1.711 1.00 0.00 ATOM 512 O LYS A 62 17.648 -4.284 -2.073 1.00 0.00 ATOM 513 C LYS A 62 18.376 -5.205 -1.712 1.00 0.00 ATOM 514 N ALA A 63 19.203 -5.099 -0.679 1.00 0.00 ATOM 515 CA ALA A 63 19.269 -3.868 0.096 1.00 0.00 ATOM 516 CB ALA A 63 20.181 -4.046 1.305 1.00 0.00 ATOM 517 O ALA A 63 19.100 -1.629 -0.815 1.00 0.00 ATOM 518 C ALA A 63 19.708 -2.709 -0.804 1.00 0.00 ATOM 519 N LYS A 64 20.763 -2.921 -1.574 1.00 0.00 ATOM 520 CA LYS A 64 21.252 -1.889 -2.478 1.00 0.00 ATOM 521 CB LYS A 64 22.521 -2.354 -3.196 1.00 0.00 ATOM 522 CG LYS A 64 23.146 -1.299 -4.093 1.00 0.00 ATOM 523 CD LYS A 64 24.449 -1.794 -4.701 1.00 0.00 ATOM 524 CE LYS A 64 25.063 -0.747 -5.617 1.00 0.00 ATOM 525 NZ LYS A 64 26.330 -1.227 -6.236 1.00 0.00 ATOM 526 O LYS A 64 20.021 -0.355 -3.857 1.00 0.00 ATOM 527 C LYS A 64 20.202 -1.529 -3.523 1.00 0.00 ATOM 528 N ALA A 65 19.503 -2.532 -4.045 1.00 0.00 ATOM 529 CA ALA A 65 18.473 -2.301 -5.047 1.00 0.00 ATOM 530 CB ALA A 65 17.875 -3.626 -5.496 1.00 0.00 ATOM 531 O ALA A 65 16.882 -0.504 -5.144 1.00 0.00 ATOM 532 C ALA A 65 17.350 -1.430 -4.482 1.00 0.00 ATOM 533 N ILE A 66 16.925 -1.738 -3.262 1.00 0.00 ATOM 534 CA ILE A 66 15.859 -0.951 -2.647 1.00 0.00 ATOM 535 CB ILE A 66 15.389 -1.666 -1.351 1.00 0.00 ATOM 536 CG1 ILE A 66 14.613 -2.923 -1.665 1.00 0.00 ATOM 537 CG2 ILE A 66 14.555 -0.691 -0.515 1.00 0.00 ATOM 538 CD1 ILE A 66 14.338 -3.799 -0.493 1.00 0.00 ATOM 539 O ILE A 66 15.565 1.427 -2.652 1.00 0.00 ATOM 540 C ILE A 66 16.317 0.485 -2.415 1.00 0.00 ATOM 541 N TYR A 67 17.545 0.655 -1.946 1.00 0.00 ATOM 542 CA TYR A 67 18.064 1.997 -1.703 1.00 0.00 ATOM 543 CB TYR A 67 19.466 2.032 -1.270 1.00 0.00 ATOM 544 CG TYR A 67 19.963 3.418 -0.964 1.00 0.00 ATOM 545 CD1 TYR A 67 19.354 4.202 0.022 1.00 0.00 ATOM 546 CD2 TYR A 67 21.075 3.938 -1.621 1.00 0.00 ATOM 547 CE1 TYR A 67 19.844 5.464 0.340 1.00 0.00 ATOM 548 CE2 TYR A 67 21.573 5.198 -1.305 1.00 0.00 ATOM 549 CZ TYR A 67 20.954 5.951 -0.320 1.00 0.00 ATOM 550 OH TYR A 67 21.460 7.177 0.019 1.00 0.00 ATOM 551 O TYR A 67 17.407 3.830 -3.114 1.00 0.00 ATOM 552 C TYR A 67 18.032 2.778 -3.021 1.00 0.00 ATOM 553 N GLU A 68 18.548 2.172 -4.081 1.00 0.00 ATOM 554 CA GLU A 68 18.578 2.834 -5.380 1.00 0.00 ATOM 555 CB GLU A 68 19.552 1.998 -6.246 1.00 0.00 ATOM 556 CG GLU A 68 19.717 2.480 -7.682 1.00 0.00 ATOM 557 CD GLU A 68 20.748 1.614 -8.397 1.00 0.00 ATOM 558 OE1 GLU A 68 20.666 0.364 -8.331 1.00 0.00 ATOM 559 OE2 GLU A 68 21.646 2.230 -9.007 1.00 0.00 ATOM 560 O GLU A 68 17.048 3.960 -6.858 1.00 0.00 ATOM 561 C GLU A 68 17.213 3.057 -6.035 1.00 0.00 ATOM 562 N LYS A 69 16.141 2.220 -5.673 1.00 0.00 ATOM 563 CA LYS A 69 14.809 2.340 -6.249 1.00 0.00 ATOM 564 CB LYS A 69 14.093 0.935 -6.217 1.00 0.00 ATOM 565 CG LYS A 69 14.623 -0.081 -7.207 1.00 0.00 ATOM 566 CD LYS A 69 13.886 -1.415 -7.093 1.00 0.00 ATOM 567 CE LYS A 69 14.585 -2.468 -7.952 1.00 0.00 ATOM 568 NZ LYS A 69 13.934 -3.804 -7.816 1.00 0.00 ATOM 569 O LYS A 69 13.073 3.983 -6.281 1.00 0.00 ATOM 570 C LYS A 69 13.823 3.300 -5.587 1.00 0.00 ATOM 571 N PHE A 70 13.807 3.333 -4.251 1.00 0.00 ATOM 572 CA PHE A 70 12.865 4.186 -3.518 1.00 0.00 ATOM 573 CB PHE A 70 11.943 3.220 -2.629 1.00 0.00 ATOM 574 CG PHE A 70 11.269 2.125 -3.409 1.00 0.00 ATOM 575 CD1 PHE A 70 10.270 2.411 -4.301 1.00 0.00 ATOM 576 CD2 PHE A 70 11.595 0.763 -3.266 1.00 0.00 ATOM 577 CE1 PHE A 70 9.658 1.426 -5.068 1.00 0.00 ATOM 578 CE2 PHE A 70 11.024 -0.178 -4.064 1.00 0.00 ATOM 579 CZ PHE A 70 10.035 0.161 -4.954 1.00 0.00 ATOM 580 O PHE A 70 12.721 6.285 -2.375 1.00 0.00 ATOM 581 C PHE A 70 13.425 5.318 -2.658 1.00 0.00 ATOM 582 N ILE A 71 14.653 5.181 -2.181 1.00 0.00 ATOM 583 CA ILE A 71 15.190 6.188 -1.268 1.00 0.00 ATOM 584 CB ILE A 71 15.817 5.563 -0.009 1.00 0.00 ATOM 585 CG1 ILE A 71 14.740 4.885 0.842 1.00 0.00 ATOM 586 CG2 ILE A 71 16.496 6.633 0.834 1.00 0.00 ATOM 587 CD1 ILE A 71 15.296 4.049 1.974 1.00 0.00 ATOM 588 O ILE A 71 16.346 8.279 -1.295 1.00 0.00 ATOM 589 C ILE A 71 16.283 7.138 -1.752 1.00 0.00 ATOM 590 N GLN A 72 17.138 6.690 -2.662 1.00 0.00 ATOM 591 CA GLN A 72 18.235 7.535 -3.145 1.00 0.00 ATOM 592 CB GLN A 72 19.133 6.748 -4.102 1.00 0.00 ATOM 593 CG GLN A 72 20.342 7.525 -4.597 1.00 0.00 ATOM 594 CD GLN A 72 21.240 6.695 -5.492 1.00 0.00 ATOM 595 OE1 GLN A 72 21.012 5.500 -5.682 1.00 0.00 ATOM 596 NE2 GLN A 72 22.269 7.327 -6.048 1.00 0.00 ATOM 597 O GLN A 72 16.695 8.934 -4.355 1.00 0.00 ATOM 598 C GLN A 72 17.828 8.808 -3.889 1.00 0.00 ATOM 599 N THR A 73 18.700 9.836 -3.869 1.00 0.00 ATOM 600 CA THR A 73 18.400 11.093 -4.564 1.00 0.00 ATOM 601 CB THR A 73 19.608 12.049 -4.541 1.00 0.00 ATOM 602 CG2 THR A 73 19.263 13.359 -5.233 1.00 0.00 ATOM 603 OG1 THR A 73 19.979 12.325 -3.184 1.00 0.00 ATOM 604 O THR A 73 18.675 9.938 -6.638 1.00 0.00 ATOM 605 C THR A 73 18.026 10.761 -6.004 1.00 0.00 ATOM 606 N ASP A 74 16.940 11.348 -6.485 1.00 0.00 ATOM 607 CA ASP A 74 16.505 11.092 -7.845 1.00 0.00 ATOM 608 CB ASP A 74 17.612 11.506 -8.817 1.00 0.00 ATOM 609 CG ASP A 74 17.909 12.992 -8.761 1.00 0.00 ATOM 610 OD1 ASP A 74 16.956 13.793 -8.854 1.00 0.00 ATOM 611 OD2 ASP A 74 19.096 13.355 -8.620 1.00 0.00 ATOM 612 O ASP A 74 16.232 9.223 -9.331 1.00 0.00 ATOM 613 C ASP A 74 16.173 9.655 -8.161 1.00 0.00 ATOM 614 N ALA A 75 15.796 8.906 -7.119 1.00 0.00 ATOM 615 CA ALA A 75 15.395 7.522 -7.298 1.00 0.00 ATOM 616 CB ALA A 75 15.084 6.882 -5.953 1.00 0.00 ATOM 617 O ALA A 75 13.263 8.335 -8.027 1.00 0.00 ATOM 618 C ALA A 75 14.139 7.490 -8.168 1.00 0.00 ATOM 619 N PRO A 76 14.023 6.485 -9.029 1.00 0.00 ATOM 620 CA PRO A 76 12.863 6.373 -9.917 1.00 0.00 ATOM 621 CB PRO A 76 13.099 5.063 -10.671 1.00 0.00 ATOM 622 CG PRO A 76 14.583 4.915 -10.708 1.00 0.00 ATOM 623 CD PRO A 76 15.082 5.376 -9.367 1.00 0.00 ATOM 624 O PRO A 76 10.577 7.077 -9.540 1.00 0.00 ATOM 625 C PRO A 76 11.506 6.327 -9.235 1.00 0.00 ATOM 626 N LYS A 77 11.440 5.328 -8.223 1.00 0.00 ATOM 627 CA LYS A 77 10.218 5.177 -7.432 1.00 0.00 ATOM 628 CB LYS A 77 9.432 3.972 -8.008 1.00 0.00 ATOM 629 CG LYS A 77 9.129 4.018 -9.515 1.00 0.00 ATOM 630 CD LYS A 77 8.502 2.660 -9.793 1.00 0.00 ATOM 631 CE LYS A 77 8.296 2.363 -11.233 1.00 0.00 ATOM 632 NZ LYS A 77 7.303 1.209 -11.276 1.00 0.00 ATOM 633 O LYS A 77 11.415 4.981 -5.359 1.00 0.00 ATOM 634 C LYS A 77 10.813 5.720 -6.139 1.00 0.00 ATOM 635 N GLU A 78 10.798 7.092 -6.074 1.00 0.00 ATOM 636 CA GLU A 78 11.340 7.778 -4.906 1.00 0.00 ATOM 637 CB GLU A 78 12.080 9.043 -5.343 1.00 0.00 ATOM 638 CG GLU A 78 12.701 9.826 -4.199 1.00 0.00 ATOM 639 CD GLU A 78 13.404 11.084 -4.666 1.00 0.00 ATOM 640 OE1 GLU A 78 13.420 11.335 -5.890 1.00 0.00 ATOM 641 OE2 GLU A 78 13.938 11.821 -3.810 1.00 0.00 ATOM 642 O GLU A 78 9.174 8.645 -4.403 1.00 0.00 ATOM 643 C GLU A 78 10.209 8.149 -3.969 1.00 0.00 ATOM 644 N VAL A 79 10.387 7.845 -2.683 1.00 0.00 ATOM 645 CA VAL A 79 9.438 8.229 -1.647 1.00 0.00 ATOM 646 CB VAL A 79 8.699 7.009 -1.068 1.00 0.00 ATOM 647 CG1 VAL A 79 7.874 6.325 -2.146 1.00 0.00 ATOM 648 CG2 VAL A 79 9.692 5.999 -0.510 1.00 0.00 ATOM 649 O VAL A 79 11.490 8.761 -0.566 1.00 0.00 ATOM 650 C VAL A 79 10.279 8.932 -0.599 1.00 0.00 ATOM 651 N ASN A 80 9.654 9.785 0.195 1.00 0.00 ATOM 652 CA ASN A 80 10.378 10.536 1.212 1.00 0.00 ATOM 653 CB ASN A 80 9.853 11.971 1.315 1.00 0.00 ATOM 654 CG ASN A 80 10.184 12.800 0.090 1.00 0.00 ATOM 655 ND2 ASN A 80 9.365 13.811 -0.176 1.00 0.00 ATOM 656 OD1 ASN A 80 11.164 12.535 -0.606 1.00 0.00 ATOM 657 O ASN A 80 9.114 9.656 3.026 1.00 0.00 ATOM 658 C ASN A 80 10.233 9.952 2.598 1.00 0.00 ATOM 659 N LEU A 81 11.322 9.832 3.320 1.00 0.00 ATOM 660 CA LEU A 81 11.304 9.390 4.705 1.00 0.00 ATOM 661 CB LEU A 81 12.043 8.054 4.826 1.00 0.00 ATOM 662 CG LEU A 81 11.473 6.890 4.017 1.00 0.00 ATOM 663 CD1 LEU A 81 12.394 5.682 4.090 1.00 0.00 ATOM 664 CD2 LEU A 81 10.109 6.479 4.552 1.00 0.00 ATOM 665 O LEU A 81 12.894 11.190 4.908 1.00 0.00 ATOM 666 C LEU A 81 12.039 10.495 5.470 1.00 0.00 ATOM 667 N ASP A 82 11.773 10.652 6.686 1.00 0.00 ATOM 668 CA ASP A 82 12.394 11.666 7.552 1.00 0.00 ATOM 669 CB ASP A 82 11.757 11.805 8.935 1.00 0.00 ATOM 670 CG ASP A 82 10.387 12.451 8.884 1.00 0.00 ATOM 671 OD1 ASP A 82 10.010 12.963 7.809 1.00 0.00 ATOM 672 OD2 ASP A 82 9.689 12.447 9.922 1.00 0.00 ATOM 673 O ASP A 82 14.440 10.402 7.470 1.00 0.00 ATOM 674 C ASP A 82 13.889 11.468 7.762 1.00 0.00 ATOM 675 N PHE A 83 14.537 12.526 8.246 1.00 0.00 ATOM 676 CA PHE A 83 15.970 12.515 8.479 1.00 0.00 ATOM 677 CB PHE A 83 16.420 13.833 9.112 1.00 0.00 ATOM 678 CG PHE A 83 17.885 13.880 9.442 1.00 0.00 ATOM 679 CD1 PHE A 83 18.821 14.157 8.463 1.00 0.00 ATOM 680 CD2 PHE A 83 18.325 13.644 10.734 1.00 0.00 ATOM 681 CE1 PHE A 83 20.170 14.198 8.766 1.00 0.00 ATOM 682 CE2 PHE A 83 19.673 13.686 11.036 1.00 0.00 ATOM 683 CZ PHE A 83 20.594 13.962 10.060 1.00 0.00 ATOM 684 O PHE A 83 17.487 10.782 9.071 1.00 0.00 ATOM 685 C PHE A 83 16.509 11.446 9.403 1.00 0.00 ATOM 686 N HIS A 84 15.895 11.291 10.572 1.00 0.00 ATOM 687 CA HIS A 84 16.336 10.293 11.538 1.00 0.00 ATOM 688 CB HIS A 84 15.531 10.195 12.731 1.00 0.00 ATOM 689 CG HIS A 84 15.852 11.318 13.664 1.00 0.00 ATOM 690 CD2 HIS A 84 15.155 12.428 14.005 1.00 0.00 ATOM 691 ND1 HIS A 84 17.082 11.436 14.272 1.00 0.00 ATOM 692 CE1 HIS A 84 17.132 12.572 14.945 1.00 0.00 ATOM 693 NE2 HIS A 84 15.976 13.194 14.799 1.00 0.00 ATOM 694 O HIS A 84 17.198 8.099 11.055 1.00 0.00 ATOM 695 C HIS A 84 16.264 8.895 10.925 1.00 0.00 ATOM 696 N THR A 85 15.187 8.624 10.194 1.00 0.00 ATOM 697 CA THR A 85 15.008 7.324 9.557 1.00 0.00 ATOM 698 CB THR A 85 13.614 7.197 8.915 1.00 0.00 ATOM 699 CG2 THR A 85 13.471 5.854 8.213 1.00 0.00 ATOM 700 OG1 THR A 85 12.607 7.299 9.927 1.00 0.00 ATOM 701 O THR A 85 16.565 5.974 8.326 1.00 0.00 ATOM 702 C THR A 85 16.029 7.077 8.449 1.00 0.00 ATOM 703 N LYS A 86 16.257 8.082 7.606 1.00 0.00 ATOM 704 CA LYS A 86 17.219 7.945 6.510 1.00 0.00 ATOM 705 CB LYS A 86 17.277 9.171 5.646 1.00 0.00 ATOM 706 CG LYS A 86 16.095 9.243 4.709 1.00 0.00 ATOM 707 CD LYS A 86 16.118 10.496 3.878 1.00 0.00 ATOM 708 CE LYS A 86 14.832 10.619 3.077 1.00 0.00 ATOM 709 NZ LYS A 86 14.737 11.934 2.379 1.00 0.00 ATOM 710 O LYS A 86 19.402 6.951 6.468 1.00 0.00 ATOM 711 C LYS A 86 18.629 7.710 7.051 1.00 0.00 ATOM 712 N GLU A 87 18.956 8.390 8.151 1.00 0.00 ATOM 713 CA GLU A 87 20.274 8.236 8.768 1.00 0.00 ATOM 714 CB GLU A 87 20.378 9.147 9.993 1.00 0.00 ATOM 715 CG GLU A 87 21.723 9.086 10.699 1.00 0.00 ATOM 716 CD GLU A 87 21.801 10.026 11.886 1.00 0.00 ATOM 717 OE1 GLU A 87 20.805 10.735 12.149 1.00 0.00 ATOM 718 OE2 GLU A 87 22.855 10.055 12.556 1.00 0.00 ATOM 719 O GLU A 87 21.524 6.196 8.942 1.00 0.00 ATOM 720 C GLU A 87 20.486 6.798 9.217 1.00 0.00 ATOM 721 N VAL A 88 19.496 6.242 9.884 1.00 0.00 ATOM 722 CA VAL A 88 19.584 4.872 10.363 1.00 0.00 ATOM 723 CB VAL A 88 18.359 4.494 11.215 1.00 0.00 ATOM 724 CG1 VAL A 88 18.379 3.011 11.552 1.00 0.00 ATOM 725 CG2 VAL A 88 18.354 5.281 12.518 1.00 0.00 ATOM 726 O VAL A 88 20.459 2.970 9.181 1.00 0.00 ATOM 727 C VAL A 88 19.660 3.906 9.183 1.00 0.00 ATOM 728 N ILE A 89 18.854 4.162 8.155 1.00 0.00 ATOM 729 CA ILE A 89 18.840 3.316 6.969 1.00 0.00 ATOM 730 CB ILE A 89 17.764 3.766 5.965 1.00 0.00 ATOM 731 CG1 ILE A 89 16.368 3.615 6.576 1.00 0.00 ATOM 732 CG2 ILE A 89 17.829 2.925 4.701 1.00 0.00 ATOM 733 CD1 ILE A 89 16.010 2.189 6.931 1.00 0.00 ATOM 734 O ILE A 89 20.710 2.299 5.847 1.00 0.00 ATOM 735 C ILE A 89 20.182 3.340 6.235 1.00 0.00 ATOM 736 N THR A 90 20.729 4.530 6.025 1.00 0.00 ATOM 737 CA THR A 90 22.014 4.647 5.335 1.00 0.00 ATOM 738 CB THR A 90 22.360 6.123 5.045 1.00 0.00 ATOM 739 CG2 THR A 90 21.266 6.850 4.241 1.00 0.00 ATOM 740 OG1 THR A 90 22.407 6.915 6.238 1.00 0.00 ATOM 741 O THR A 90 23.940 3.246 5.590 1.00 0.00 ATOM 742 C THR A 90 23.126 3.980 6.145 1.00 0.00 ATOM 743 N ASN A 91 23.131 4.201 7.456 1.00 0.00 ATOM 744 CA ASN A 91 24.155 3.605 8.311 1.00 0.00 ATOM 745 CB ASN A 91 23.991 4.086 9.754 1.00 0.00 ATOM 746 CG ASN A 91 24.400 5.533 9.936 1.00 0.00 ATOM 747 ND2 ASN A 91 23.908 6.158 11.000 1.00 0.00 ATOM 748 OD1 ASN A 91 25.148 6.082 9.129 1.00 0.00 ATOM 749 O ASN A 91 25.006 1.377 8.184 1.00 0.00 ATOM 750 C ASN A 91 24.030 2.100 8.265 1.00 0.00 ATOM 751 N SER A 92 22.781 1.642 8.246 1.00 0.00 ATOM 752 CA SER A 92 22.541 0.199 8.219 1.00 0.00 ATOM 753 CB SER A 92 21.039 -0.122 8.552 1.00 0.00 ATOM 754 OG SER A 92 20.150 0.199 7.501 1.00 0.00 ATOM 755 O SER A 92 23.407 -1.590 6.908 1.00 0.00 ATOM 756 C SER A 92 22.962 -0.446 6.915 1.00 0.00 ATOM 757 N ILE A 93 22.820 0.274 5.808 1.00 0.00 ATOM 758 CA ILE A 93 23.164 -0.282 4.507 1.00 0.00 ATOM 759 CB ILE A 93 22.812 0.689 3.365 1.00 0.00 ATOM 760 CG1 ILE A 93 21.294 0.825 3.231 1.00 0.00 ATOM 761 CG2 ILE A 93 23.369 0.184 2.043 1.00 0.00 ATOM 762 CD1 ILE A 93 20.861 1.950 2.315 1.00 0.00 ATOM 763 O ILE A 93 25.024 -1.507 3.609 1.00 0.00 ATOM 764 C ILE A 93 24.653 -0.598 4.346 1.00 0.00 ATOM 765 N THR A 94 25.480 0.226 5.111 1.00 0.00 ATOM 766 CA THR A 94 26.920 -0.026 5.045 1.00 0.00 ATOM 767 CB THR A 94 27.696 0.862 6.036 1.00 0.00 ATOM 768 CG2 THR A 94 29.170 0.490 6.044 1.00 0.00 ATOM 769 OG1 THR A 94 27.567 2.236 5.653 1.00 0.00 ATOM 770 O THR A 94 28.043 -2.158 4.778 1.00 0.00 ATOM 771 C THR A 94 27.151 -1.522 5.353 1.00 0.00 ATOM 772 N GLN A 95 26.298 -2.094 6.151 1.00 0.00 ATOM 773 CA GLN A 95 26.412 -3.513 6.532 1.00 0.00 ATOM 774 CB GLN A 95 27.188 -3.662 7.875 1.00 0.00 ATOM 775 CG GLN A 95 28.366 -2.697 8.072 1.00 0.00 ATOM 776 CD GLN A 95 28.976 -2.751 9.474 1.00 0.00 ATOM 777 OE1 GLN A 95 28.268 -2.634 10.480 1.00 0.00 ATOM 778 NE2 GLN A 95 30.293 -2.914 9.538 1.00 0.00 ATOM 779 O GLN A 95 24.329 -4.134 7.565 1.00 0.00 ATOM 780 C GLN A 95 24.984 -4.060 6.523 1.00 0.00 ATOM 781 N PRO A 96 24.462 -4.390 5.333 1.00 0.00 ATOM 782 CA PRO A 96 23.103 -4.914 5.148 1.00 0.00 ATOM 783 CB PRO A 96 23.088 -5.313 3.672 1.00 0.00 ATOM 784 CG PRO A 96 24.068 -4.349 3.057 1.00 0.00 ATOM 785 CD PRO A 96 25.191 -4.351 4.063 1.00 0.00 ATOM 786 O PRO A 96 23.511 -7.192 5.787 1.00 0.00 ATOM 787 C PRO A 96 22.765 -6.214 5.862 1.00 0.00 ATOM 788 N THR A 97 21.574 -6.256 6.435 1.00 0.00 ATOM 789 CA THR A 97 21.093 -7.435 7.140 1.00 0.00 ATOM 790 CB THR A 97 21.254 -7.249 8.633 1.00 0.00 ATOM 791 CG2 THR A 97 22.718 -7.102 9.004 1.00 0.00 ATOM 792 OG1 THR A 97 20.527 -6.085 9.088 1.00 0.00 ATOM 793 O THR A 97 19.009 -6.681 6.227 1.00 0.00 ATOM 794 C THR A 97 19.605 -7.539 6.886 1.00 0.00 ATOM 795 N LEU A 98 18.956 -8.545 7.479 1.00 0.00 ATOM 796 CA LEU A 98 17.511 -8.718 7.365 1.00 0.00 ATOM 797 CB LEU A 98 17.049 -9.927 8.185 1.00 0.00 ATOM 798 CG LEU A 98 17.486 -11.301 7.668 1.00 0.00 ATOM 799 CD1 LEU A 98 17.120 -12.391 8.665 1.00 0.00 ATOM 800 CD2 LEU A 98 16.804 -11.619 6.346 1.00 0.00 ATOM 801 O LEU A 98 15.542 -7.349 7.357 1.00 0.00 ATOM 802 C LEU A 98 16.642 -7.566 7.863 1.00 0.00 ATOM 803 N HIS A 99 17.139 -6.780 8.898 1.00 0.00 ATOM 804 CA HIS A 99 16.372 -5.657 9.427 1.00 0.00 ATOM 805 CB HIS A 99 16.326 -5.737 10.952 1.00 0.00 ATOM 806 CG HIS A 99 15.646 -6.968 11.458 1.00 0.00 ATOM 807 CD2 HIS A 99 14.337 -7.302 11.513 1.00 0.00 ATOM 808 ND1 HIS A 99 16.339 -8.057 11.943 1.00 0.00 ATOM 809 CE1 HIS A 99 15.484 -9.008 12.271 1.00 0.00 ATOM 810 NE2 HIS A 99 14.260 -8.576 12.019 1.00 0.00 ATOM 811 O HIS A 99 16.549 -3.292 9.692 1.00 0.00 ATOM 812 C HIS A 99 16.894 -4.280 9.048 1.00 0.00 ATOM 813 N SER A 100 17.762 -4.205 8.064 1.00 0.00 ATOM 814 CA SER A 100 18.263 -2.914 7.602 1.00 0.00 ATOM 815 CB SER A 100 19.210 -3.096 6.461 1.00 0.00 ATOM 816 OG SER A 100 20.380 -3.742 6.937 1.00 0.00 ATOM 817 O SER A 100 17.393 -0.713 7.142 1.00 0.00 ATOM 818 C SER A 100 17.169 -1.930 7.159 1.00 0.00 ATOM 819 N PHE A 101 16.024 -2.455 6.735 1.00 0.00 ATOM 820 CA PHE A 101 14.918 -1.605 6.275 1.00 0.00 ATOM 821 CB PHE A 101 14.376 -2.135 4.953 1.00 0.00 ATOM 822 CG PHE A 101 15.398 -2.114 3.837 1.00 0.00 ATOM 823 CD1 PHE A 101 15.804 -3.302 3.223 1.00 0.00 ATOM 824 CD2 PHE A 101 15.949 -0.911 3.398 1.00 0.00 ATOM 825 CE1 PHE A 101 16.745 -3.296 2.192 1.00 0.00 ATOM 826 CE2 PHE A 101 16.895 -0.891 2.363 1.00 0.00 ATOM 827 CZ PHE A 101 17.291 -2.097 1.761 1.00 0.00 ATOM 828 O PHE A 101 12.683 -1.013 6.909 1.00 0.00 ATOM 829 C PHE A 101 13.752 -1.520 7.255 1.00 0.00 ATOM 830 N ASP A 102 13.940 -2.042 8.460 1.00 0.00 ATOM 831 CA ASP A 102 12.890 -2.022 9.471 1.00 0.00 ATOM 832 CB ASP A 102 13.367 -2.713 10.751 1.00 0.00 ATOM 833 CG ASP A 102 12.275 -2.817 11.797 1.00 0.00 ATOM 834 OD1 ASP A 102 11.251 -3.479 11.525 1.00 0.00 ATOM 835 OD2 ASP A 102 12.444 -2.236 12.890 1.00 0.00 ATOM 836 O ASP A 102 11.324 -0.279 9.975 1.00 0.00 ATOM 837 C ASP A 102 12.512 -0.592 9.847 1.00 0.00 ATOM 838 N ALA A 103 13.507 0.264 9.964 1.00 0.00 ATOM 839 CA ALA A 103 13.280 1.669 10.307 1.00 0.00 ATOM 840 CB ALA A 103 14.613 2.376 10.503 1.00 0.00 ATOM 841 O ALA A 103 11.474 3.025 9.537 1.00 0.00 ATOM 842 C ALA A 103 12.493 2.382 9.224 1.00 0.00 ATOM 843 N ALA A 104 12.833 2.192 7.939 1.00 0.00 ATOM 844 CA ALA A 104 12.114 2.797 6.867 1.00 0.00 ATOM 845 CB ALA A 104 12.868 2.597 5.544 1.00 0.00 ATOM 846 O ALA A 104 9.740 3.017 6.480 1.00 0.00 ATOM 847 C ALA A 104 10.701 2.255 6.708 1.00 0.00 ATOM 848 N GLN A 105 10.520 0.944 6.848 1.00 0.00 ATOM 849 CA GLN A 105 9.203 0.349 6.732 1.00 0.00 ATOM 850 CB GLN A 105 9.283 -1.170 6.888 1.00 0.00 ATOM 851 CG GLN A 105 7.945 -1.878 6.751 1.00 0.00 ATOM 852 CD GLN A 105 8.068 -3.385 6.861 1.00 0.00 ATOM 853 OE1 GLN A 105 9.153 -3.911 7.113 1.00 0.00 ATOM 854 NE2 GLN A 105 6.955 -4.085 6.675 1.00 0.00 ATOM 855 O GLN A 105 7.154 1.281 7.543 1.00 0.00 ATOM 856 C GLN A 105 8.297 0.891 7.813 1.00 0.00 ATOM 857 N SER A 106 8.812 1.034 9.021 1.00 0.00 ATOM 858 CA SER A 106 8.011 1.582 10.139 1.00 0.00 ATOM 859 CB SER A 106 8.783 1.483 11.457 1.00 0.00 ATOM 860 OG SER A 106 9.020 0.128 11.808 1.00 0.00 ATOM 861 O SER A 106 6.520 3.449 10.263 1.00 0.00 ATOM 862 C SER A 106 7.631 3.032 9.927 1.00 0.00 ATOM 863 N ARG A 107 8.556 3.809 9.380 1.00 0.00 ATOM 864 CA ARG A 107 8.288 5.214 9.125 1.00 0.00 ATOM 865 CB ARG A 107 9.527 5.898 8.542 1.00 0.00 ATOM 866 CG ARG A 107 9.314 7.357 8.168 1.00 0.00 ATOM 867 CD ARG A 107 8.955 8.191 9.386 1.00 0.00 ATOM 868 NE ARG A 107 10.043 8.231 10.363 1.00 0.00 ATOM 869 CZ ARG A 107 9.926 8.719 11.593 1.00 0.00 ATOM 870 NH1 ARG A 107 10.969 8.713 12.411 1.00 0.00 ATOM 871 NH2 ARG A 107 8.765 9.210 12.004 1.00 0.00 ATOM 872 O ARG A 107 6.195 6.115 8.358 1.00 0.00 ATOM 873 C ARG A 107 7.136 5.351 8.128 1.00 0.00 ATOM 874 N VAL A 108 7.180 4.565 7.053 1.00 0.00 ATOM 875 CA VAL A 108 6.131 4.600 6.036 1.00 0.00 ATOM 876 CB VAL A 108 6.490 3.724 4.822 1.00 0.00 ATOM 877 CG1 VAL A 108 5.310 3.626 3.868 1.00 0.00 ATOM 878 CG2 VAL A 108 7.671 4.315 4.069 1.00 0.00 ATOM 879 O VAL A 108 3.747 4.612 6.289 1.00 0.00 ATOM 880 C VAL A 108 4.812 4.093 6.609 1.00 0.00 ATOM 881 N TYR A 109 4.892 3.079 7.464 1.00 0.00 ATOM 882 CA TYR A 109 3.712 2.518 8.103 1.00 0.00 ATOM 883 CB TYR A 109 4.089 1.340 8.966 1.00 0.00 ATOM 884 CG TYR A 109 2.943 0.592 9.663 1.00 0.00 ATOM 885 CD1 TYR A 109 2.486 -0.618 9.173 1.00 0.00 ATOM 886 CD2 TYR A 109 2.360 1.095 10.812 1.00 0.00 ATOM 887 CE1 TYR A 109 1.447 -1.327 9.825 1.00 0.00 ATOM 888 CE2 TYR A 109 1.322 0.414 11.461 1.00 0.00 ATOM 889 CZ TYR A 109 0.877 -0.799 10.959 1.00 0.00 ATOM 890 OH TYR A 109 -0.115 -1.502 11.624 1.00 0.00 ATOM 891 O TYR A 109 1.768 3.757 8.823 1.00 0.00 ATOM 892 C TYR A 109 2.992 3.590 8.922 1.00 0.00 ATOM 893 N GLN A 110 3.763 4.313 9.732 1.00 0.00 ATOM 894 CA GLN A 110 3.221 5.364 10.590 1.00 0.00 ATOM 895 CB GLN A 110 4.236 5.872 11.599 1.00 0.00 ATOM 896 CG GLN A 110 4.534 4.821 12.687 1.00 0.00 ATOM 897 CD GLN A 110 3.265 4.400 13.397 1.00 0.00 ATOM 898 OE1 GLN A 110 2.390 5.233 13.683 1.00 0.00 ATOM 899 NE2 GLN A 110 3.147 3.113 13.717 1.00 0.00 ATOM 900 O GLN A 110 1.679 7.147 10.108 1.00 0.00 ATOM 901 C GLN A 110 2.665 6.505 9.743 1.00 0.00 ATOM 902 N LEU A 111 3.347 6.821 8.636 1.00 0.00 ATOM 903 CA LEU A 111 2.870 7.874 7.753 1.00 0.00 ATOM 904 CB LEU A 111 3.838 8.096 6.605 1.00 0.00 ATOM 905 CG LEU A 111 5.104 8.889 6.984 1.00 0.00 ATOM 906 CD1 LEU A 111 6.140 8.801 5.877 1.00 0.00 ATOM 907 CD2 LEU A 111 4.728 10.345 7.285 1.00 0.00 ATOM 908 O LEU A 111 0.589 8.371 7.154 1.00 0.00 ATOM 909 C LEU A 111 1.491 7.534 7.176 1.00 0.00 ATOM 910 N MET A 112 1.318 6.295 6.713 1.00 0.00 ATOM 911 CA MET A 112 0.045 5.868 6.148 1.00 0.00 ATOM 912 CB MET A 112 0.276 4.191 6.087 1.00 0.00 ATOM 913 CG MET A 112 0.044 3.368 4.846 1.00 0.00 ATOM 914 SD MET A 112 0.914 1.798 4.851 1.00 0.00 ATOM 915 CE MET A 112 2.605 2.298 5.020 1.00 0.00 ATOM 916 O MET A 112 -2.140 6.329 7.028 1.00 0.00 ATOM 917 C MET A 112 -1.025 5.848 7.235 1.00 0.00 ATOM 918 N GLU A 113 -0.658 5.366 8.411 1.00 0.00 ATOM 919 CA GLU A 113 -1.612 5.345 9.529 1.00 0.00 ATOM 920 CB GLU A 113 -1.002 4.653 10.749 1.00 0.00 ATOM 921 CG GLU A 113 -1.953 4.527 11.930 1.00 0.00 ATOM 922 CD GLU A 113 -1.327 3.807 13.107 1.00 0.00 ATOM 923 OE1 GLU A 113 -0.153 3.392 12.994 1.00 0.00 ATOM 924 OE2 GLU A 113 -2.008 3.657 14.143 1.00 0.00 ATOM 925 O GLU A 113 -3.214 7.064 9.981 1.00 0.00 ATOM 926 C GLU A 113 -2.028 6.749 9.952 1.00 0.00 ATOM 927 N GLN A 114 -1.043 7.625 10.119 1.00 0.00 ATOM 928 CA GLN A 114 -1.295 9.001 10.527 1.00 0.00 ATOM 929 CB GLN A 114 0.077 9.629 10.969 1.00 0.00 ATOM 930 CG GLN A 114 0.712 8.981 12.203 1.00 0.00 ATOM 931 CD GLN A 114 1.765 9.859 12.854 1.00 0.00 ATOM 932 OE1 GLN A 114 1.823 11.059 12.606 1.00 0.00 ATOM 933 NE2 GLN A 114 2.561 9.269 13.743 1.00 0.00 ATOM 934 O GLN A 114 -2.786 10.735 9.810 1.00 0.00 ATOM 935 C GLN A 114 -1.924 9.919 9.476 1.00 0.00 ATOM 936 N ASP A 115 -1.487 9.821 8.222 1.00 0.00 ATOM 937 CA ASP A 115 -2.011 10.707 7.182 1.00 0.00 ATOM 938 CB ASP A 115 -0.888 11.179 6.254 1.00 0.00 ATOM 939 CG ASP A 115 0.144 12.025 6.975 1.00 0.00 ATOM 940 OD1 ASP A 115 -0.255 12.979 7.675 1.00 0.00 ATOM 941 OD2 ASP A 115 1.351 11.735 6.836 1.00 0.00 ATOM 942 O ASP A 115 -3.901 10.932 5.754 1.00 0.00 ATOM 943 C ASP A 115 -3.084 10.156 6.253 1.00 0.00 ATOM 944 N SER A 116 -3.226 8.837 6.156 1.00 0.00 ATOM 945 CA SER A 116 -4.202 8.284 5.217 1.00 0.00 ATOM 946 CB SER A 116 -3.487 7.407 4.186 1.00 0.00 ATOM 947 OG SER A 116 -2.593 8.174 3.398 1.00 0.00 ATOM 948 O SER A 116 -6.328 7.279 5.062 1.00 0.00 ATOM 949 C SER A 116 -5.302 7.407 5.761 1.00 0.00 ATOM 950 N TYR A 117 -5.011 6.614 6.812 1.00 0.00 ATOM 951 CA TYR A 117 -6.015 5.666 7.297 1.00 0.00 ATOM 952 CB TYR A 117 -5.559 5.029 8.611 1.00 0.00 ATOM 953 CG TYR A 117 -6.570 4.081 9.215 1.00 0.00 ATOM 954 CD1 TYR A 117 -6.688 2.777 8.753 1.00 0.00 ATOM 955 CD2 TYR A 117 -7.404 4.494 10.247 1.00 0.00 ATOM 956 CE1 TYR A 117 -7.608 1.904 9.300 1.00 0.00 ATOM 957 CE2 TYR A 117 -8.331 3.635 10.806 1.00 0.00 ATOM 958 CZ TYR A 117 -8.428 2.332 10.323 1.00 0.00 ATOM 959 OH TYR A 117 -9.348 1.465 10.869 1.00 0.00 ATOM 960 O TYR A 117 -8.381 5.662 7.125 1.00 0.00 ATOM 961 C TYR A 117 -7.395 6.202 7.633 1.00 0.00 ATOM 962 N THR A 118 -7.484 7.265 8.423 1.00 0.00 ATOM 963 CA THR A 118 -8.778 7.871 8.757 1.00 0.00 ATOM 964 CB THR A 118 -8.566 8.959 9.793 1.00 0.00 ATOM 965 CG2 THR A 118 -9.854 9.729 10.084 1.00 0.00 ATOM 966 OG1 THR A 118 -8.129 8.349 11.021 1.00 0.00 ATOM 967 O THR A 118 -10.689 8.195 7.345 1.00 0.00 ATOM 968 C THR A 118 -9.491 8.416 7.527 1.00 0.00 ATOM 969 N ARG A 119 -8.767 9.144 6.683 1.00 0.00 ATOM 970 CA ARG A 119 -9.362 9.686 5.469 1.00 0.00 ATOM 971 CB ARG A 119 -8.243 10.565 4.821 1.00 0.00 ATOM 972 CG ARG A 119 -8.616 11.195 3.478 1.00 0.00 ATOM 973 CD ARG A 119 -7.919 12.540 3.172 1.00 0.00 ATOM 974 NE ARG A 119 -6.500 12.580 3.524 1.00 0.00 ATOM 975 CZ ARG A 119 -5.981 13.383 4.446 1.00 0.00 ATOM 976 NH1 ARG A 119 -6.771 14.210 5.147 1.00 0.00 ATOM 977 NH2 ARG A 119 -4.670 13.349 4.686 1.00 0.00 ATOM 978 O ARG A 119 -10.927 8.689 3.925 1.00 0.00 ATOM 979 C ARG A 119 -9.891 8.550 4.586 1.00 0.00 ATOM 980 N PHE A 120 -9.167 7.433 4.556 1.00 0.00 ATOM 981 CA PHE A 120 -9.600 6.281 3.763 1.00 0.00 ATOM 982 CB PHE A 120 -8.590 5.135 3.885 1.00 0.00 ATOM 983 CG PHE A 120 -8.983 3.899 3.127 1.00 0.00 ATOM 984 CD1 PHE A 120 -8.786 3.817 1.759 1.00 0.00 ATOM 985 CD2 PHE A 120 -9.547 2.820 3.781 1.00 0.00 ATOM 986 CE1 PHE A 120 -9.146 2.680 1.063 1.00 0.00 ATOM 987 CE2 PHE A 120 -9.907 1.682 3.085 1.00 0.00 ATOM 988 CZ PHE A 120 -9.710 1.609 1.731 1.00 0.00 ATOM 989 O PHE A 120 -11.899 5.652 3.470 1.00 0.00 ATOM 990 C PHE A 120 -10.963 5.808 4.258 1.00 0.00 ATOM 991 N LEU A 121 -11.086 5.633 5.571 1.00 0.00 ATOM 992 CA LEU A 121 -12.366 5.177 6.102 1.00 0.00 ATOM 993 CB LEU A 121 -12.248 4.878 7.598 1.00 0.00 ATOM 994 CG LEU A 121 -11.375 3.683 7.981 1.00 0.00 ATOM 995 CD1 LEU A 121 -11.211 3.599 9.492 1.00 0.00 ATOM 996 CD2 LEU A 121 -12.000 2.382 7.499 1.00 0.00 ATOM 997 O LEU A 121 -14.655 5.810 5.787 1.00 0.00 ATOM 998 C LEU A 121 -13.490 6.192 5.915 1.00 0.00 ATOM 999 N LYS A 122 -13.134 7.475 5.892 1.00 0.00 ATOM 1000 CA LYS A 122 -14.108 8.553 5.717 1.00 0.00 ATOM 1001 CB LYS A 122 -13.629 9.821 6.429 1.00 0.00 ATOM 1002 CG LYS A 122 -13.531 9.684 7.940 1.00 0.00 ATOM 1003 CD LYS A 122 -13.046 10.976 8.581 1.00 0.00 ATOM 1004 CE LYS A 122 -12.896 10.821 10.085 1.00 0.00 ATOM 1005 NZ LYS A 122 -12.447 12.088 10.728 1.00 0.00 ATOM 1006 O LYS A 122 -15.161 9.744 3.925 1.00 0.00 ATOM 1007 C LYS A 122 -14.329 8.899 4.246 1.00 0.00 ATOM 1008 N SER A 123 -13.619 8.209 3.357 1.00 0.00 ATOM 1009 CA SER A 123 -13.704 8.474 1.921 1.00 0.00 ATOM 1010 CB SER A 123 -12.410 8.030 1.239 1.00 0.00 ATOM 1011 OG SER A 123 -12.308 6.620 1.187 1.00 0.00 ATOM 1012 O SER A 123 -15.371 6.740 1.729 1.00 0.00 ATOM 1013 C SER A 123 -14.863 7.747 1.221 1.00 0.00 ATOM 1014 N ASP A 124 -15.247 8.251 0.036 1.00 0.00 ATOM 1015 CA ASP A 124 -16.304 7.654 -0.780 1.00 0.00 ATOM 1016 CB ASP A 124 -16.576 8.506 -2.020 1.00 0.00 ATOM 1017 CG ASP A 124 -17.286 9.804 -1.689 1.00 0.00 ATOM 1018 OD1 ASP A 124 -17.781 9.937 -0.551 1.00 0.00 ATOM 1019 OD2 ASP A 124 -17.348 10.690 -2.569 1.00 0.00 ATOM 1020 O ASP A 124 -16.800 5.407 -1.441 1.00 0.00 ATOM 1021 C ASP A 124 -15.931 6.249 -1.238 1.00 0.00 ATOM 1022 N ILE A 125 -14.666 6.006 -1.441 1.00 0.00 ATOM 1023 CA ILE A 125 -14.180 4.707 -1.882 1.00 0.00 ATOM 1024 CB ILE A 125 -12.656 4.721 -2.105 1.00 0.00 ATOM 1025 CG1 ILE A 125 -12.297 5.611 -3.294 1.00 0.00 ATOM 1026 CG2 ILE A 125 -12.146 3.315 -2.385 1.00 0.00 ATOM 1027 CD1 ILE A 125 -10.816 5.899 -3.420 1.00 0.00 ATOM 1028 O ILE A 125 -15.108 2.607 -1.169 1.00 0.00 ATOM 1029 C ILE A 125 -14.512 3.638 -0.847 1.00 0.00 ATOM 1030 N TYR A 126 -14.168 3.884 0.417 1.00 0.00 ATOM 1031 CA TYR A 126 -14.469 2.923 1.468 1.00 0.00 ATOM 1032 CB TYR A 126 -13.994 3.457 2.823 1.00 0.00 ATOM 1033 CG TYR A 126 -14.306 2.540 3.984 1.00 0.00 ATOM 1034 CD1 TYR A 126 -13.509 1.435 4.253 1.00 0.00 ATOM 1035 CD2 TYR A 126 -15.397 2.785 4.809 1.00 0.00 ATOM 1036 CE1 TYR A 126 -13.787 0.594 5.313 1.00 0.00 ATOM 1037 CE2 TYR A 126 -15.690 1.954 5.873 1.00 0.00 ATOM 1038 CZ TYR A 126 -14.872 0.850 6.120 1.00 0.00 ATOM 1039 OH TYR A 126 -15.152 0.015 7.176 1.00 0.00 ATOM 1040 O TYR A 126 -16.430 1.574 1.838 1.00 0.00 ATOM 1041 C TYR A 126 -15.981 2.710 1.595 1.00 0.00 ATOM 1042 N LEU A 127 -16.770 3.780 1.602 1.00 0.00 ATOM 1043 CA LEU A 127 -18.213 3.620 1.718 1.00 0.00 ATOM 1044 CB LEU A 127 -18.906 5.002 1.728 1.00 0.00 ATOM 1045 CG LEU A 127 -18.657 5.807 3.003 1.00 0.00 ATOM 1046 CD1 LEU A 127 -19.215 7.188 2.812 1.00 0.00 ATOM 1047 CD2 LEU A 127 -19.301 5.132 4.203 1.00 0.00 ATOM 1048 O LEU A 127 -19.604 1.885 0.870 1.00 0.00 ATOM 1049 C LEU A 127 -18.795 2.764 0.604 1.00 0.00 ATOM 1050 N ASP A 128 -18.310 2.948 -0.620 1.00 0.00 ATOM 1051 CA ASP A 128 -18.774 2.150 -1.756 1.00 0.00 ATOM 1052 CB ASP A 128 -18.154 2.665 -3.056 1.00 0.00 ATOM 1053 CG ASP A 128 -18.729 4.000 -3.489 1.00 0.00 ATOM 1054 OD1 ASP A 128 -19.768 4.407 -2.927 1.00 0.00 ATOM 1055 OD2 ASP A 128 -18.143 4.639 -4.385 1.00 0.00 ATOM 1056 O ASP A 128 -19.166 -0.209 -1.899 1.00 0.00 ATOM 1057 C ASP A 128 -18.392 0.690 -1.571 1.00 0.00 ATOM 1058 N LEU A 129 -17.142 0.446 -1.129 1.00 0.00 ATOM 1059 CA LEU A 129 -16.650 -0.901 -0.900 1.00 0.00 ATOM 1060 CB LEU A 129 -15.212 -0.898 -0.442 1.00 0.00 ATOM 1061 CG LEU A 129 -14.176 -0.477 -1.483 1.00 0.00 ATOM 1062 CD1 LEU A 129 -12.815 -0.354 -0.816 1.00 0.00 ATOM 1063 CD2 LEU A 129 -14.135 -1.496 -2.623 1.00 0.00 ATOM 1064 O LEU A 129 -17.967 -2.743 -0.071 1.00 0.00 ATOM 1065 C LEU A 129 -17.541 -1.605 0.124 1.00 0.00 ATOM 1066 N MET A 130 -17.895 -0.876 1.177 1.00 0.00 ATOM 1067 CA MET A 130 -18.733 -1.417 2.242 1.00 0.00 ATOM 1068 CB MET A 130 -18.833 -0.472 3.391 1.00 0.00 ATOM 1069 CG MET A 130 -19.800 -0.926 4.443 1.00 0.00 ATOM 1070 SD MET A 130 -19.882 0.209 5.772 1.00 0.00 ATOM 1071 CE MET A 130 -20.837 1.589 5.155 1.00 0.00 ATOM 1072 O MET A 130 -20.705 -2.770 2.073 1.00 0.00 ATOM 1073 C MET A 130 -20.142 -1.726 1.753 1.00 0.00 ATOM 1074 N GLU A 131 -20.741 -0.776 1.029 1.00 0.00 ATOM 1075 CA GLU A 131 -22.092 -0.948 0.514 1.00 0.00 ATOM 1076 CB GLU A 131 -22.555 0.322 -0.203 1.00 0.00 ATOM 1077 CG GLU A 131 -22.808 1.501 0.725 1.00 0.00 ATOM 1078 CD GLU A 131 -23.143 2.772 -0.028 1.00 0.00 ATOM 1079 OE1 GLU A 131 -23.108 2.752 -1.278 1.00 0.00 ATOM 1080 OE2 GLU A 131 -23.444 3.790 0.630 1.00 0.00 ATOM 1081 O GLU A 131 -23.055 -2.981 -0.299 1.00 0.00 ATOM 1082 C GLU A 131 -22.171 -2.135 -0.444 1.00 0.00 ATOM 1083 N GLY A 132 -21.133 -2.287 -1.322 1.00 0.00 ATOM 1084 CA GLY A 132 -21.180 -3.386 -2.273 1.00 0.00 ATOM 1085 O GLY A 132 -20.015 -5.494 -2.527 1.00 0.00 ATOM 1086 C GLY A 132 -20.279 -4.515 -1.820 1.00 0.00 ENDMDL EXPDTA 2h33A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h33A ATOM 1 N SER 1 -11.099 -11.906 -3.578 1.00 0.00 ATOM 2 CA SER 1 -12.448 -11.305 -3.374 1.00 0.00 ATOM 3 CB SER 1 -13.399 -11.813 -4.456 1.00 0.00 ATOM 4 OG SER 1 -14.627 -11.102 -4.375 1.00 0.00 ATOM 5 O SER 1 -13.798 -12.598 -1.867 1.00 0.00 ATOM 6 C SER 1 -12.971 -11.695 -1.995 1.00 0.00 ATOM 7 N MET 2 -12.484 -11.007 -0.967 1.00 0.00 ATOM 8 CA MET 2 -12.910 -11.290 0.399 1.00 0.00 ATOM 9 CB MET 2 -12.170 -12.517 0.934 1.00 0.00 ATOM 10 CG MET 2 -12.862 -13.021 2.202 1.00 0.00 ATOM 11 SD MET 2 -14.387 -13.885 1.753 1.00 0.00 ATOM 12 CE MET 2 -13.667 -15.534 1.565 1.00 0.00 ATOM 13 O MET 2 -11.533 -9.550 1.291 1.00 0.00 ATOM 14 C MET 2 -12.634 -10.092 1.303 1.00 0.00 ATOM 15 N VAL 3 -13.655 -9.701 2.074 1.00 0.00 ATOM 16 CA VAL 3 -13.573 -8.564 3.006 1.00 0.00 ATOM 17 CB VAL 3 -12.256 -7.796 2.885 1.00 0.00 ATOM 18 CG1 VAL 3 -12.178 -7.107 1.533 1.00 0.00 ATOM 19 CG2 VAL 3 -12.184 -6.723 3.967 1.00 0.00 ATOM 20 O VAL 3 -14.562 -6.541 2.186 1.00 0.00 ATOM 21 C VAL 3 -14.714 -7.613 2.771 1.00 0.00 ATOM 22 N SER 4 -15.846 -8.000 3.290 1.00 0.00 ATOM 23 CA SER 4 -17.019 -7.179 3.208 1.00 0.00 ATOM 24 CB SER 4 -18.214 -8.001 3.644 1.00 0.00 ATOM 25 OG SER 4 -17.925 -9.383 3.468 1.00 0.00 ATOM 26 O SER 4 -15.699 -5.821 4.643 1.00 0.00 ATOM 27 C SER 4 -16.814 -6.027 4.166 1.00 0.00 ATOM 28 N PRO 5 -17.830 -5.299 4.508 1.00 0.00 ATOM 29 CA PRO 5 -17.662 -4.210 5.478 1.00 0.00 ATOM 30 CB PRO 5 -19.026 -3.493 5.510 1.00 0.00 ATOM 31 CG PRO 5 -19.825 -4.053 4.373 1.00 0.00 ATOM 32 CD PRO 5 -19.216 -5.407 4.025 1.00 0.00 ATOM 33 O PRO 5 -17.459 -4.090 7.847 1.00 0.00 ATOM 34 C PRO 5 -17.309 -4.776 6.851 1.00 0.00 ATOM 35 N GLU 6 -16.840 -6.037 6.908 1.00 0.00 ATOM 36 CA GLU 6 -16.504 -6.647 8.202 1.00 0.00 ATOM 37 CB GLU 6 -17.080 -8.061 8.283 1.00 0.00 ATOM 38 CG GLU 6 -16.886 -8.614 9.697 1.00 0.00 ATOM 39 CD GLU 6 -17.709 -9.885 9.876 1.00 0.00 ATOM 40 OE1 GLU 6 -18.008 -10.519 8.879 1.00 0.00 ATOM 41 OE2 GLU 6 -18.029 -10.204 11.010 1.00 0.00 ATOM 42 O GLU 6 -14.489 -6.126 9.384 1.00 0.00 ATOM 43 C GLU 6 -15.001 -6.689 8.416 1.00 0.00 ATOM 44 N GLU 7 -14.271 -7.315 7.515 1.00 0.00 ATOM 45 CA GLU 7 -12.841 -7.320 7.684 1.00 0.00 ATOM 46 CB GLU 7 -12.189 -8.429 6.871 1.00 0.00 ATOM 47 CG GLU 7 -10.669 -8.381 7.052 1.00 0.00 ATOM 48 CD GLU 7 -10.311 -8.309 8.535 1.00 0.00 ATOM 49 OE1 GLU 7 -10.864 -9.086 9.295 1.00 0.00 ATOM 50 OE2 GLU 7 -9.491 -7.478 8.886 1.00 0.00 ATOM 51 O GLU 7 -11.368 -5.430 7.791 1.00 0.00 ATOM 52 C GLU 7 -12.352 -5.948 7.263 1.00 0.00 ATOM 53 N ALA 8 -13.093 -5.340 6.330 1.00 0.00 ATOM 54 CA ALA 8 -12.763 -4.000 5.881 1.00 0.00 ATOM 55 CB ALA 8 -13.568 -3.574 4.657 1.00 0.00 ATOM 56 O ALA 8 -12.117 -2.258 7.368 1.00 0.00 ATOM 57 C ALA 8 -13.022 -3.006 7.002 1.00 0.00 ATOM 58 N VAL 9 -14.250 -2.982 7.566 1.00 0.00 ATOM 59 CA VAL 9 -14.507 -2.040 8.649 1.00 0.00 ATOM 60 CB VAL 9 -15.670 -2.475 9.552 1.00 0.00 ATOM 61 CG1 VAL 9 -17.004 -1.916 9.046 1.00 0.00 ATOM 62 CG2 VAL 9 -15.707 -3.982 9.629 1.00 0.00 ATOM 63 O VAL 9 -12.694 -0.931 9.763 1.00 0.00 ATOM 64 C VAL 9 -13.263 -1.989 9.501 1.00 0.00 ATOM 65 N LYS 10 -12.848 -3.180 9.906 1.00 0.00 ATOM 66 CA LYS 10 -11.655 -3.338 10.712 1.00 0.00 ATOM 67 CB LYS 10 -11.179 -4.799 10.642 1.00 0.00 ATOM 68 CG LYS 10 -11.051 -5.384 12.056 1.00 0.00 ATOM 69 CD LYS 10 -12.447 -5.661 12.633 1.00 0.00 ATOM 70 CE LYS 10 -12.906 -7.067 12.231 1.00 0.00 ATOM 71 NZ LYS 10 -12.239 -8.076 13.101 1.00 0.00 ATOM 72 O LYS 10 -9.963 -1.651 10.982 1.00 0.00 ATOM 73 C LYS 10 -10.558 -2.397 10.207 1.00 0.00 ATOM 74 N TRP 11 -10.304 -2.427 8.895 1.00 0.00 ATOM 75 CA TRP 11 -9.286 -1.557 8.310 1.00 0.00 ATOM 76 CB TRP 11 -9.375 -1.546 6.782 1.00 0.00 ATOM 77 CG TRP 11 -9.300 -2.933 6.233 1.00 0.00 ATOM 78 CD1 TRP 11 -8.960 -4.022 6.937 1.00 0.00 ATOM 79 CD2 TRP 11 -9.573 -3.392 4.885 1.00 0.00 ATOM 80 CE2 TRP 11 -9.380 -4.791 4.842 1.00 0.00 ATOM 81 CE3 TRP 11 -9.969 -2.745 3.709 1.00 0.00 ATOM 82 NE1 TRP 11 -9.010 -5.130 6.111 1.00 0.00 ATOM 83 CZ2 TRP 11 -9.569 -5.519 3.683 1.00 0.00 ATOM 84 CZ3 TRP 11 -10.165 -3.486 2.535 1.00 0.00 ATOM 85 CH2 TRP 11 -9.964 -4.867 2.527 1.00 0.00 ATOM 86 O TRP 11 -8.585 0.692 8.684 1.00 0.00 ATOM 87 C TRP 11 -9.475 -0.138 8.804 1.00 0.00 ATOM 88 N GLY 12 -10.650 0.135 9.345 1.00 0.00 ATOM 89 CA GLY 12 -10.956 1.465 9.846 1.00 0.00 ATOM 90 O GLY 12 -10.860 2.602 11.956 1.00 0.00 ATOM 91 C GLY 12 -10.538 1.609 11.303 1.00 0.00 ATOM 92 N GLU 13 -9.812 0.615 11.809 1.00 0.00 ATOM 93 CA GLU 13 -9.351 0.648 13.193 1.00 0.00 ATOM 94 CB GLU 13 -10.323 -0.135 14.090 1.00 0.00 ATOM 95 CG GLU 13 -9.898 -1.605 14.177 1.00 0.00 ATOM 96 CD GLU 13 -11.047 -2.449 14.717 1.00 0.00 ATOM 97 OE1 GLU 13 -10.786 -3.322 15.528 1.00 0.00 ATOM 98 OE2 GLU 13 -12.173 -2.211 14.310 1.00 0.00 ATOM 99 O GLU 13 -7.408 -0.053 14.415 1.00 0.00 ATOM 100 C GLU 13 -7.942 0.067 13.312 1.00 0.00 ATOM 101 N SER 14 -7.340 -0.294 12.180 1.00 0.00 ATOM 102 CA SER 14 -5.996 -0.859 12.204 1.00 0.00 ATOM 103 CB SER 14 -6.037 -2.245 12.824 1.00 0.00 ATOM 104 OG SER 14 -4.881 -2.974 12.436 1.00 0.00 ATOM 105 O SER 14 -5.391 -1.944 10.107 1.00 0.00 ATOM 106 C SER 14 -5.382 -0.912 10.803 1.00 0.00 ATOM 107 N PHE 15 -4.833 0.222 10.413 1.00 0.00 ATOM 108 CA PHE 15 -4.186 0.367 9.123 1.00 0.00 ATOM 109 CB PHE 15 -3.285 1.599 9.191 1.00 0.00 ATOM 110 CG PHE 15 -2.609 1.836 7.868 1.00 0.00 ATOM 111 CD1 PHE 15 -3.369 1.909 6.707 1.00 0.00 ATOM 112 CD2 PHE 15 -1.221 1.976 7.800 1.00 0.00 ATOM 113 CE1 PHE 15 -2.760 2.113 5.481 1.00 0.00 ATOM 114 CE2 PHE 15 -0.604 2.188 6.569 1.00 0.00 ATOM 115 CZ PHE 15 -1.373 2.255 5.407 1.00 0.00 ATOM 116 O PHE 15 -3.028 -1.122 7.629 1.00 0.00 ATOM 117 C PHE 15 -3.353 -0.871 8.788 1.00 0.00 ATOM 118 N ASP 16 -3.006 -1.625 9.823 1.00 0.00 ATOM 119 CA ASP 16 -2.195 -2.831 9.667 1.00 0.00 ATOM 120 CB ASP 16 -1.649 -3.263 11.027 1.00 0.00 ATOM 121 CG ASP 16 -0.645 -4.397 10.850 1.00 0.00 ATOM 122 OD1 ASP 16 -0.651 -5.302 11.669 1.00 0.00 ATOM 123 OD2 ASP 16 0.117 -4.343 9.899 1.00 0.00 ATOM 124 O ASP 16 -2.615 -4.501 8.000 1.00 0.00 ATOM 125 C ASP 16 -2.985 -3.983 9.053 1.00 0.00 ATOM 126 N LYS 17 -4.059 -4.401 9.718 1.00 0.00 ATOM 127 CA LYS 17 -4.850 -5.516 9.204 1.00 0.00 ATOM 128 CB LYS 17 -5.993 -5.867 10.148 1.00 0.00 ATOM 129 CG LYS 17 -6.799 -4.611 10.447 1.00 0.00 ATOM 130 CD LYS 17 -7.884 -4.945 11.475 1.00 0.00 ATOM 131 CE LYS 17 -7.243 -5.290 12.828 1.00 0.00 ATOM 132 NZ LYS 17 -7.219 -6.770 13.000 1.00 0.00 ATOM 133 O LYS 17 -5.919 -6.069 7.143 1.00 0.00 ATOM 134 C LYS 17 -5.409 -5.189 7.835 1.00 0.00 ATOM 135 N LEU 18 -5.269 -3.939 7.420 1.00 0.00 ATOM 136 CA LEU 18 -5.724 -3.549 6.103 1.00 0.00 ATOM 137 CB LEU 18 -6.000 -2.052 6.102 1.00 0.00 ATOM 138 CG LEU 18 -5.733 -1.438 4.721 1.00 0.00 ATOM 139 CD1 LEU 18 -6.975 -1.556 3.841 1.00 0.00 ATOM 140 CD2 LEU 18 -5.381 0.030 4.914 1.00 0.00 ATOM 141 O LEU 18 -4.739 -4.350 4.065 1.00 0.00 ATOM 142 C LEU 18 -4.587 -3.865 5.184 1.00 0.00 ATOM 143 N LEU 19 -3.439 -3.574 5.731 1.00 0.00 ATOM 144 CA LEU 19 -2.187 -3.787 5.083 1.00 0.00 ATOM 145 CB LEU 19 -1.173 -2.927 5.825 1.00 0.00 ATOM 146 CG LEU 19 -0.827 -1.712 4.985 1.00 0.00 ATOM 147 CD1 LEU 19 -2.065 -1.032 4.402 1.00 0.00 ATOM 148 CD2 LEU 19 -0.041 -0.710 5.814 1.00 0.00 ATOM 149 O LEU 19 -0.961 -5.742 4.425 1.00 0.00 ATOM 150 C LEU 19 -1.834 -5.263 5.149 1.00 0.00 ATOM 151 N SER 20 -2.544 -5.981 6.009 1.00 0.00 ATOM 152 CA SER 20 -2.331 -7.410 6.157 1.00 0.00 ATOM 153 CB SER 20 -2.411 -7.810 7.632 1.00 0.00 ATOM 154 OG SER 20 -1.507 -8.880 7.876 1.00 0.00 ATOM 155 O SER 20 -3.311 -9.405 5.251 1.00 0.00 ATOM 156 C SER 20 -3.378 -8.180 5.353 1.00 0.00 ATOM 157 N HIS 21 -4.344 -7.459 4.771 1.00 0.00 ATOM 158 CA HIS 21 -5.380 -8.106 3.977 1.00 0.00 ATOM 159 CB HIS 21 -6.748 -7.461 4.248 1.00 0.00 ATOM 160 CG HIS 21 -7.790 -8.532 4.374 1.00 0.00 ATOM 161 CD2 HIS 21 -8.069 -9.428 5.373 1.00 0.00 ATOM 162 ND1 HIS 21 -8.708 -8.779 3.370 1.00 0.00 ATOM 163 CE1 HIS 21 -9.494 -9.786 3.780 1.00 0.00 ATOM 164 NE2 HIS 21 -9.147 -10.225 4.992 1.00 0.00 ATOM 165 O HIS 21 -4.988 -6.888 1.953 1.00 0.00 ATOM 166 C HIS 21 -5.048 -7.990 2.497 1.00 0.00 ATOM 167 N ARG 22 -4.836 -9.128 1.849 1.00 0.00 ATOM 168 CA ARG 22 -4.514 -9.124 0.431 1.00 0.00 ATOM 169 CB ARG 22 -4.717 -10.521 -0.161 1.00 0.00 ATOM 170 CG ARG 22 -4.250 -10.534 -1.618 1.00 0.00 ATOM 171 CD ARG 22 -4.448 -11.931 -2.209 1.00 0.00 ATOM 172 NE ARG 22 -4.425 -11.868 -3.665 1.00 0.00 ATOM 173 CZ ARG 22 -3.280 -11.761 -4.331 1.00 0.00 ATOM 174 NH1 ARG 22 -2.150 -11.713 -3.680 1.00 0.00 ATOM 175 NH2 ARG 22 -3.285 -11.705 -5.634 1.00 0.00 ATOM 176 O ARG 22 -4.924 -7.354 -1.131 1.00 0.00 ATOM 177 C ARG 22 -5.398 -8.122 -0.301 1.00 0.00 ATOM 178 N ASP 23 -6.685 -8.131 0.024 1.00 0.00 ATOM 179 CA ASP 23 -7.624 -7.210 -0.602 1.00 0.00 ATOM 180 CB ASP 23 -9.050 -7.745 -0.458 1.00 0.00 ATOM 181 CG ASP 23 -9.290 -8.871 -1.460 1.00 0.00 ATOM 182 OD1 ASP 23 -10.254 -8.780 -2.202 1.00 0.00 ATOM 183 OD2 ASP 23 -8.508 -9.806 -1.467 1.00 0.00 ATOM 184 O ASP 23 -7.875 -4.822 -0.582 1.00 0.00 ATOM 185 C ASP 23 -7.522 -5.827 0.036 1.00 0.00 ATOM 186 N GLY 24 -7.028 -5.779 1.271 1.00 0.00 ATOM 187 CA GLY 24 -6.877 -4.510 1.970 1.00 0.00 ATOM 188 O GLY 24 -5.880 -2.620 0.903 1.00 0.00 ATOM 189 C GLY 24 -5.709 -3.730 1.401 1.00 0.00 ATOM 190 N LEU 25 -4.518 -4.314 1.453 1.00 0.00 ATOM 191 CA LEU 25 -3.364 -3.631 0.908 1.00 0.00 ATOM 192 CB LEU 25 -2.092 -4.481 1.092 1.00 0.00 ATOM 193 CG LEU 25 -1.632 -5.113 -0.227 1.00 0.00 ATOM 194 CD1 LEU 25 -0.303 -5.832 0.009 1.00 0.00 ATOM 195 CD2 LEU 25 -2.682 -6.121 -0.713 1.00 0.00 ATOM 196 O LEU 25 -3.210 -2.280 -1.068 1.00 0.00 ATOM 197 C LEU 25 -3.648 -3.307 -0.554 1.00 0.00 ATOM 198 N GLU 26 -4.430 -4.171 -1.208 1.00 0.00 ATOM 199 CA GLU 26 -4.806 -3.930 -2.595 1.00 0.00 ATOM 200 CB GLU 26 -5.477 -5.172 -3.194 1.00 0.00 ATOM 201 CG GLU 26 -4.834 -5.517 -4.542 1.00 0.00 ATOM 202 CD GLU 26 -4.920 -4.321 -5.484 1.00 0.00 ATOM 203 OE1 GLU 26 -5.865 -3.562 -5.359 1.00 0.00 ATOM 204 OE2 GLU 26 -4.039 -4.183 -6.317 1.00 0.00 ATOM 205 O GLU 26 -5.821 -1.992 -3.608 1.00 0.00 ATOM 206 C GLU 26 -5.773 -2.750 -2.639 1.00 0.00 ATOM 207 N ALA 27 -6.527 -2.603 -1.559 1.00 0.00 ATOM 208 CA ALA 27 -7.490 -1.514 -1.432 1.00 0.00 ATOM 209 CB ALA 27 -8.161 -1.611 -0.063 1.00 0.00 ATOM 210 O ALA 27 -6.950 0.628 -2.421 1.00 0.00 ATOM 211 C ALA 27 -6.791 -0.173 -1.491 1.00 0.00 ATOM 212 N PHE 28 -6.034 0.060 -0.449 1.00 0.00 ATOM 213 CA PHE 28 -5.309 1.282 -0.307 1.00 0.00 ATOM 214 CB PHE 28 -4.384 1.143 0.877 1.00 0.00 ATOM 215 CG PHE 28 -3.972 2.507 1.425 1.00 0.00 ATOM 216 CD1 PHE 28 -4.633 3.683 1.015 1.00 0.00 ATOM 217 CD2 PHE 28 -2.914 2.599 2.343 1.00 0.00 ATOM 218 CE1 PHE 28 -4.226 4.925 1.522 1.00 0.00 ATOM 219 CE2 PHE 28 -2.527 3.846 2.838 1.00 0.00 ATOM 220 CZ PHE 28 -3.175 5.001 2.428 1.00 0.00 ATOM 221 O PHE 28 -4.641 2.580 -2.206 1.00 0.00 ATOM 222 C PHE 28 -4.487 1.550 -1.548 1.00 0.00 ATOM 223 N THR 29 -3.600 0.606 -1.845 1.00 0.00 ATOM 224 CA THR 29 -2.727 0.732 -3.008 1.00 0.00 ATOM 225 CB THR 29 -2.283 -0.636 -3.521 1.00 0.00 ATOM 226 CG2 THR 29 -3.442 -1.288 -4.241 1.00 0.00 ATOM 227 OG1 THR 29 -1.193 -0.474 -4.417 1.00 0.00 ATOM 228 O THR 29 -2.879 2.459 -4.645 1.00 0.00 ATOM 229 C THR 29 -3.429 1.497 -4.122 1.00 0.00 ATOM 230 N ARG 30 -4.651 1.085 -4.481 1.00 0.00 ATOM 231 CA ARG 30 -5.363 1.793 -5.544 1.00 0.00 ATOM 232 CB ARG 30 -6.733 1.159 -5.821 1.00 0.00 ATOM 233 CG ARG 30 -6.765 -0.274 -5.293 1.00 0.00 ATOM 234 CD ARG 30 -8.064 -0.965 -5.728 1.00 0.00 ATOM 235 NE ARG 30 -7.797 -2.350 -6.101 1.00 0.00 ATOM 236 CZ ARG 30 -7.353 -2.661 -7.316 1.00 0.00 ATOM 237 NH1 ARG 30 -7.150 -1.721 -8.198 1.00 0.00 ATOM 238 NH2 ARG 30 -7.118 -3.907 -7.625 1.00 0.00 ATOM 239 O ARG 30 -5.247 4.156 -5.959 1.00 0.00 ATOM 240 C ARG 30 -5.554 3.260 -5.171 1.00 0.00 ATOM 241 N PHE 31 -6.070 3.508 -3.974 1.00 0.00 ATOM 242 CA PHE 31 -6.288 4.888 -3.556 1.00 0.00 ATOM 243 CB PHE 31 -7.064 4.947 -2.245 1.00 0.00 ATOM 244 CG PHE 31 -7.423 6.385 -1.953 1.00 0.00 ATOM 245 CD1 PHE 31 -8.370 7.039 -2.748 1.00 0.00 ATOM 246 CD2 PHE 31 -6.808 7.066 -0.897 1.00 0.00 ATOM 247 CE1 PHE 31 -8.705 8.371 -2.485 1.00 0.00 ATOM 248 CE2 PHE 31 -7.143 8.398 -0.633 1.00 0.00 ATOM 249 CZ PHE 31 -8.094 9.051 -1.426 1.00 0.00 ATOM 250 O PHE 31 -4.561 6.384 -4.269 1.00 0.00 ATOM 251 C PHE 31 -4.963 5.626 -3.395 1.00 0.00 ATOM 252 N LEU 32 -4.293 5.412 -2.272 1.00 0.00 ATOM 253 CA LEU 32 -3.020 6.083 -2.013 1.00 0.00 ATOM 254 CB LEU 32 -2.297 5.346 -0.872 1.00 0.00 ATOM 255 CG LEU 32 -0.995 4.710 -1.282 1.00 0.00 ATOM 256 CD1 LEU 32 -0.050 4.689 -0.055 1.00 0.00 ATOM 257 CD2 LEU 32 -1.317 3.285 -1.729 1.00 0.00 ATOM 258 O LEU 32 -1.316 7.060 -3.398 1.00 0.00 ATOM 259 C LEU 32 -2.190 6.200 -3.297 1.00 0.00 ATOM 260 N LYS 33 -2.507 5.375 -4.297 1.00 0.00 ATOM 261 CA LYS 33 -1.817 5.456 -5.582 1.00 0.00 ATOM 262 CB LYS 33 -2.058 4.170 -6.392 1.00 0.00 ATOM 263 CG LYS 33 -1.742 4.382 -7.877 1.00 0.00 ATOM 264 CD LYS 33 -2.117 3.114 -8.652 1.00 0.00 ATOM 265 CE LYS 33 -1.319 1.919 -8.119 1.00 0.00 ATOM 266 NZ LYS 33 -1.167 0.903 -9.197 1.00 0.00 ATOM 267 O LYS 33 -1.635 7.370 -7.033 1.00 0.00 ATOM 268 C LYS 33 -2.363 6.662 -6.338 1.00 0.00 ATOM 269 N THR 34 -3.664 6.874 -6.181 1.00 0.00 ATOM 270 CA THR 34 -4.359 7.980 -6.825 1.00 0.00 ATOM 271 CB THR 34 -5.858 7.850 -6.556 1.00 0.00 ATOM 272 CG2 THR 34 -6.173 8.227 -5.100 1.00 0.00 ATOM 273 OG1 THR 34 -6.571 8.709 -7.436 1.00 0.00 ATOM 274 O THR 34 -3.554 10.225 -7.097 1.00 0.00 ATOM 275 C THR 34 -3.872 9.330 -6.312 1.00 0.00 ATOM 276 N GLU 35 -3.826 9.480 -4.993 1.00 0.00 ATOM 277 CA GLU 35 -3.389 10.736 -4.396 1.00 0.00 ATOM 278 CB GLU 35 -3.977 10.885 -2.987 1.00 0.00 ATOM 279 CG GLU 35 -3.259 9.947 -2.001 1.00 0.00 ATOM 280 CD GLU 35 -2.304 10.745 -1.115 1.00 0.00 ATOM 281 OE1 GLU 35 -2.705 11.103 -0.019 1.00 0.00 ATOM 282 OE2 GLU 35 -1.189 10.989 -1.545 1.00 0.00 ATOM 283 O GLU 35 -1.289 11.693 -3.743 1.00 0.00 ATOM 284 C GLU 35 -1.872 10.789 -4.341 1.00 0.00 ATOM 285 N PHE 36 -1.241 9.808 -4.971 1.00 0.00 ATOM 286 CA PHE 36 0.214 9.742 -4.991 1.00 0.00 ATOM 287 CB PHE 36 0.791 11.036 -5.606 1.00 0.00 ATOM 288 CG PHE 36 1.704 11.743 -4.627 1.00 0.00 ATOM 289 CD1 PHE 36 1.288 12.932 -4.016 1.00 0.00 ATOM 290 CD2 PHE 36 2.963 11.207 -4.331 1.00 0.00 ATOM 291 CE1 PHE 36 2.131 13.586 -3.110 1.00 0.00 ATOM 292 CE2 PHE 36 3.806 11.860 -3.425 1.00 0.00 ATOM 293 CZ PHE 36 3.391 13.050 -2.814 1.00 0.00 ATOM 294 O PHE 36 0.943 10.438 -2.797 1.00 0.00 ATOM 295 C PHE 36 0.743 9.503 -3.574 1.00 0.00 ATOM 296 N SER 37 0.948 8.235 -3.248 1.00 0.00 ATOM 297 CA SER 37 1.440 7.850 -1.930 1.00 0.00 ATOM 298 CB SER 37 0.408 8.215 -0.861 1.00 0.00 ATOM 299 OG SER 37 0.925 7.893 0.424 1.00 0.00 ATOM 300 O SER 37 2.228 5.793 -0.934 1.00 0.00 ATOM 301 C SER 37 1.695 6.350 -1.906 1.00 0.00 ATOM 302 N GLU 38 1.303 5.686 -2.983 1.00 0.00 ATOM 303 CA GLU 38 1.491 4.256 -3.051 1.00 0.00 ATOM 304 CB GLU 38 1.070 3.690 -4.406 1.00 0.00 ATOM 305 CG GLU 38 1.590 4.578 -5.548 1.00 0.00 ATOM 306 CD GLU 38 3.034 4.219 -5.888 1.00 0.00 ATOM 307 OE1 GLU 38 3.538 3.263 -5.324 1.00 0.00 ATOM 308 OE2 GLU 38 3.614 4.908 -6.711 1.00 0.00 ATOM 309 O GLU 38 3.238 3.047 -1.994 1.00 0.00 ATOM 310 C GLU 38 2.935 3.930 -2.785 1.00 0.00 ATOM 311 N GLU 39 3.830 4.664 -3.428 1.00 0.00 ATOM 312 CA GLU 39 5.248 4.445 -3.222 1.00 0.00 ATOM 313 CB GLU 39 6.031 5.689 -3.645 1.00 0.00 ATOM 314 CG GLU 39 5.347 6.947 -3.094 1.00 0.00 ATOM 315 CD GLU 39 4.317 7.464 -4.095 1.00 0.00 ATOM 316 OE1 GLU 39 3.143 7.207 -3.895 1.00 0.00 ATOM 317 OE2 GLU 39 4.721 8.110 -5.048 1.00 0.00 ATOM 318 O GLU 39 6.435 3.447 -1.393 1.00 0.00 ATOM 319 C GLU 39 5.493 4.150 -1.750 1.00 0.00 ATOM 320 N ASN 40 4.607 4.682 -0.908 1.00 0.00 ATOM 321 CA ASN 40 4.691 4.467 0.527 1.00 0.00 ATOM 322 CB ASN 40 3.873 5.531 1.263 1.00 0.00 ATOM 323 CG ASN 40 4.123 6.900 0.639 1.00 0.00 ATOM 324 ND2 ASN 40 5.305 7.184 0.163 1.00 0.00 ATOM 325 OD1 ASN 40 3.221 7.733 0.586 1.00 0.00 ATOM 326 O ASN 40 4.840 2.274 1.532 1.00 0.00 ATOM 327 C ASN 40 4.165 3.075 0.870 1.00 0.00 ATOM 328 N ILE 41 2.969 2.756 0.399 1.00 0.00 ATOM 329 CA ILE 41 2.441 1.429 0.680 1.00 0.00 ATOM 330 CB ILE 41 0.959 1.316 0.278 1.00 0.00 ATOM 331 CG1 ILE 41 0.263 0.381 1.253 1.00 0.00 ATOM 332 CG2 ILE 41 0.796 0.774 -1.135 1.00 0.00 ATOM 333 CD1 ILE 41 -1.219 0.293 0.943 1.00 0.00 ATOM 334 O ILE 41 3.556 -0.696 0.490 1.00 0.00 ATOM 335 C ILE 41 3.312 0.398 -0.025 1.00 0.00 ATOM 336 N GLU 42 3.824 0.786 -1.182 1.00 0.00 ATOM 337 CA GLU 42 4.711 -0.069 -1.937 1.00 0.00 ATOM 338 CB GLU 42 4.728 0.364 -3.396 1.00 0.00 ATOM 339 CG GLU 42 3.396 -0.033 -4.019 1.00 0.00 ATOM 340 CD GLU 42 3.190 0.686 -5.347 1.00 0.00 ATOM 341 OE1 GLU 42 4.178 1.098 -5.934 1.00 0.00 ATOM 342 OE2 GLU 42 2.049 0.810 -5.761 1.00 0.00 ATOM 343 O GLU 42 6.961 -0.829 -1.574 1.00 0.00 ATOM 344 C GLU 42 6.098 0.012 -1.335 1.00 0.00 ATOM 345 N PHE 43 6.280 1.036 -0.524 1.00 0.00 ATOM 346 CA PHE 43 7.530 1.255 0.161 1.00 0.00 ATOM 347 CB PHE 43 7.357 2.458 1.068 1.00 0.00 ATOM 348 CG PHE 43 8.364 2.469 2.168 1.00 0.00 ATOM 349 CD1 PHE 43 8.019 2.094 3.473 1.00 0.00 ATOM 350 CD2 PHE 43 9.630 2.938 1.892 1.00 0.00 ATOM 351 CE1 PHE 43 8.964 2.209 4.480 1.00 0.00 ATOM 352 CE2 PHE 43 10.570 3.036 2.892 1.00 0.00 ATOM 353 CZ PHE 43 10.235 2.679 4.189 1.00 0.00 ATOM 354 O PHE 43 8.958 -0.558 0.820 1.00 0.00 ATOM 355 C PHE 43 7.885 0.041 0.987 1.00 0.00 ATOM 356 N TRP 44 6.982 -0.348 1.882 1.00 0.00 ATOM 357 CA TRP 44 7.288 -1.517 2.695 1.00 0.00 ATOM 358 CB TRP 44 6.658 -1.469 4.093 1.00 0.00 ATOM 359 CG TRP 44 5.261 -0.968 4.070 1.00 0.00 ATOM 360 CD1 TRP 44 4.859 0.198 4.622 1.00 0.00 ATOM 361 CD2 TRP 44 4.074 -1.598 3.524 1.00 0.00 ATOM 362 CE2 TRP 44 2.976 -0.748 3.760 1.00 0.00 ATOM 363 CE3 TRP 44 3.844 -2.807 2.846 1.00 0.00 ATOM 364 NE1 TRP 44 3.504 0.333 4.443 1.00 0.00 ATOM 365 CZ2 TRP 44 1.703 -1.089 3.334 1.00 0.00 ATOM 366 CZ3 TRP 44 2.559 -3.150 2.418 1.00 0.00 ATOM 367 CH2 TRP 44 1.492 -2.294 2.658 1.00 0.00 ATOM 368 O TRP 44 7.411 -3.864 2.269 1.00 0.00 ATOM 369 C TRP 44 6.913 -2.785 1.951 1.00 0.00 ATOM 370 N ILE 45 6.077 -2.655 0.925 1.00 0.00 ATOM 371 CA ILE 45 5.722 -3.824 0.135 1.00 0.00 ATOM 372 CB ILE 45 4.681 -3.460 -0.944 1.00 0.00 ATOM 373 CG1 ILE 45 3.591 -4.541 -1.023 1.00 0.00 ATOM 374 CG2 ILE 45 5.336 -3.315 -2.324 1.00 0.00 ATOM 375 CD1 ILE 45 2.303 -3.925 -1.579 1.00 0.00 ATOM 376 O ILE 45 7.128 -5.578 -0.714 1.00 0.00 ATOM 377 C ILE 45 7.010 -4.379 -0.460 1.00 0.00 ATOM 378 N ALA 46 8.006 -3.496 -0.605 1.00 0.00 ATOM 379 CA ALA 46 9.316 -3.915 -1.084 1.00 0.00 ATOM 380 CB ALA 46 10.144 -2.732 -1.617 1.00 0.00 ATOM 381 O ALA 46 10.403 -5.697 0.082 1.00 0.00 ATOM 382 C ALA 46 10.047 -4.523 0.096 1.00 0.00 ATOM 383 N CYS 47 10.240 -3.702 1.130 1.00 0.00 ATOM 384 CA CYS 47 10.914 -4.153 2.346 1.00 0.00 ATOM 385 CB CYS 47 10.499 -3.277 3.522 1.00 0.00 ATOM 386 SG CYS 47 11.059 -1.579 3.244 1.00 0.00 ATOM 387 O CYS 47 11.401 -6.400 3.036 1.00 0.00 ATOM 388 C CYS 47 10.547 -5.599 2.668 1.00 0.00 ATOM 389 N GLU 48 9.270 -5.928 2.538 1.00 0.00 ATOM 390 CA GLU 48 8.824 -7.283 2.834 1.00 0.00 ATOM 391 CB GLU 48 7.333 -7.293 3.171 1.00 0.00 ATOM 392 CG GLU 48 7.037 -6.242 4.246 1.00 0.00 ATOM 393 CD GLU 48 7.491 -6.750 5.610 1.00 0.00 ATOM 394 OE1 GLU 48 8.613 -6.454 5.988 1.00 0.00 ATOM 395 OE2 GLU 48 6.710 -7.428 6.259 1.00 0.00 ATOM 396 O GLU 48 9.769 -9.219 1.778 1.00 0.00 ATOM 397 C GLU 48 9.095 -8.198 1.645 1.00 0.00 ATOM 398 N ASP 49 8.587 -7.821 0.478 1.00 0.00 ATOM 399 CA ASP 49 8.808 -8.621 -0.717 1.00 0.00 ATOM 400 CB ASP 49 8.289 -7.882 -1.951 1.00 0.00 ATOM 401 CG ASP 49 8.474 -8.748 -3.193 1.00 0.00 ATOM 402 OD1 ASP 49 7.782 -9.747 -3.304 1.00 0.00 ATOM 403 OD2 ASP 49 9.306 -8.400 -4.014 1.00 0.00 ATOM 404 O ASP 49 10.702 -9.852 -1.539 1.00 0.00 ATOM 405 C ASP 49 10.298 -8.900 -0.872 1.00 0.00 ATOM 406 N PHE 50 11.108 -8.049 -0.248 1.00 0.00 ATOM 407 CA PHE 50 12.553 -8.183 -0.308 1.00 0.00 ATOM 408 CB PHE 50 13.170 -6.795 -0.120 1.00 0.00 ATOM 409 CG PHE 50 14.378 -6.831 0.785 1.00 0.00 ATOM 410 CD1 PHE 50 14.222 -6.878 2.174 1.00 0.00 ATOM 411 CD2 PHE 50 15.654 -6.774 0.236 1.00 0.00 ATOM 412 CE1 PHE 50 15.347 -6.868 2.998 1.00 0.00 ATOM 413 CE2 PHE 50 16.765 -6.772 1.049 1.00 0.00 ATOM 414 CZ PHE 50 16.617 -6.816 2.428 1.00 0.00 ATOM 415 O PHE 50 14.005 -9.900 0.518 1.00 0.00 ATOM 416 C PHE 50 13.055 -9.157 0.754 1.00 0.00 ATOM 417 N LYS 51 12.422 -9.154 1.922 1.00 0.00 ATOM 418 CA LYS 51 12.843 -10.055 2.984 1.00 0.00 ATOM 419 CB LYS 51 12.036 -9.791 4.269 1.00 0.00 ATOM 420 CG LYS 51 10.700 -10.560 4.259 1.00 0.00 ATOM 421 CD LYS 51 10.838 -11.865 5.054 1.00 0.00 ATOM 422 CE LYS 51 9.467 -12.534 5.180 1.00 0.00 ATOM 423 NZ LYS 51 8.689 -12.316 3.927 1.00 0.00 ATOM 424 O LYS 51 13.458 -12.380 2.966 1.00 0.00 ATOM 425 C LYS 51 12.701 -11.511 2.536 1.00 0.00 ATOM 426 N LYS 52 11.736 -11.776 1.660 1.00 0.00 ATOM 427 CA LYS 52 11.531 -13.133 1.168 1.00 0.00 ATOM 428 CB LYS 52 10.112 -13.297 0.617 1.00 0.00 ATOM 429 CG LYS 52 9.832 -12.210 -0.426 1.00 0.00 ATOM 430 CD LYS 52 8.526 -12.526 -1.180 1.00 0.00 ATOM 431 CE LYS 52 8.773 -12.475 -2.691 1.00 0.00 ATOM 432 NZ LYS 52 9.626 -13.629 -3.095 1.00 0.00 ATOM 433 O LYS 52 12.365 -14.411 -0.687 1.00 0.00 ATOM 434 C LYS 52 12.545 -13.463 0.077 1.00 0.00 ATOM 435 N SER 53 13.614 -12.672 0.012 1.00 0.00 ATOM 436 CA SER 53 14.653 -12.888 -0.989 1.00 0.00 ATOM 437 CB SER 53 15.759 -11.845 -0.830 1.00 0.00 ATOM 438 OG SER 53 16.285 -11.913 0.489 1.00 0.00 ATOM 439 O SER 53 14.650 -15.162 -0.222 1.00 0.00 ATOM 440 C SER 53 15.244 -14.288 -0.853 1.00 0.00 ATOM 441 N LYS 54 16.414 -14.498 -1.450 1.00 0.00 ATOM 442 CA LYS 54 17.065 -15.801 -1.388 1.00 0.00 ATOM 443 CB LYS 54 18.044 -15.963 -2.557 1.00 0.00 ATOM 444 CG LYS 54 19.277 -15.067 -2.346 1.00 0.00 ATOM 445 CD LYS 54 20.415 -15.860 -1.679 1.00 0.00 ATOM 446 CE LYS 54 21.340 -16.438 -2.754 1.00 0.00 ATOM 447 NZ LYS 54 20.520 -17.075 -3.824 1.00 0.00 ATOM 448 O LYS 54 17.503 -16.904 0.696 1.00 0.00 ATOM 449 C LYS 54 17.802 -15.983 -0.064 1.00 0.00 ATOM 450 N GLY 55 18.777 -15.115 0.207 1.00 0.00 ATOM 451 CA GLY 55 19.543 -15.230 1.441 1.00 0.00 ATOM 452 O GLY 55 19.968 -12.870 1.274 1.00 0.00 ATOM 453 C GLY 55 20.302 -13.943 1.772 1.00 0.00 ATOM 454 N PRO 56 21.304 -14.039 2.614 1.00 0.00 ATOM 455 CA PRO 56 22.124 -12.868 3.050 1.00 0.00 ATOM 456 CB PRO 56 23.036 -13.437 4.144 1.00 0.00 ATOM 457 CG PRO 56 23.095 -14.905 3.888 1.00 0.00 ATOM 458 CD PRO 56 21.766 -15.284 3.239 1.00 0.00 ATOM 459 O PRO 56 23.736 -11.352 2.115 1.00 0.00 ATOM 460 C PRO 56 22.942 -12.271 1.908 1.00 0.00 ATOM 461 N GLN 57 22.747 -12.800 0.705 1.00 0.00 ATOM 462 CA GLN 57 23.479 -12.309 -0.464 1.00 0.00 ATOM 463 CB GLN 57 23.877 -13.480 -1.365 1.00 0.00 ATOM 464 CG GLN 57 25.072 -14.217 -0.756 1.00 0.00 ATOM 465 CD GLN 57 26.328 -13.361 -0.878 1.00 0.00 ATOM 466 OE1 GLN 57 26.873 -13.210 -1.972 1.00 0.00 ATOM 467 NE2 GLN 57 26.825 -12.789 0.185 1.00 0.00 ATOM 468 O GLN 57 23.112 -10.257 -1.658 1.00 0.00 ATOM 469 C GLN 57 22.636 -11.323 -1.270 1.00 0.00 ATOM 470 N GLN 58 21.391 -11.698 -1.532 1.00 0.00 ATOM 471 CA GLN 58 20.492 -10.851 -2.311 1.00 0.00 ATOM 472 CB GLN 58 19.234 -11.638 -2.671 1.00 0.00 ATOM 473 CG GLN 58 18.288 -10.769 -3.507 1.00 0.00 ATOM 474 CD GLN 58 18.953 -10.395 -4.827 1.00 0.00 ATOM 475 OE1 GLN 58 19.608 -11.231 -5.451 1.00 0.00 ATOM 476 NE2 GLN 58 18.826 -9.182 -5.291 1.00 0.00 ATOM 477 O GLN 58 19.814 -8.562 -2.129 1.00 0.00 ATOM 478 C GLN 58 20.106 -9.601 -1.539 1.00 0.00 ATOM 479 N ILE 59 20.092 -9.703 -0.225 1.00 0.00 ATOM 480 CA ILE 59 19.727 -8.574 0.602 1.00 0.00 ATOM 481 CB ILE 59 20.235 -8.768 2.019 1.00 0.00 ATOM 482 CG1 ILE 59 20.058 -10.231 2.448 1.00 0.00 ATOM 483 CG2 ILE 59 19.425 -7.849 2.913 1.00 0.00 ATOM 484 CD1 ILE 59 18.677 -10.759 2.049 1.00 0.00 ATOM 485 O ILE 59 19.573 -6.521 -0.612 1.00 0.00 ATOM 486 C ILE 59 20.283 -7.268 0.040 1.00 0.00 ATOM 487 N HIS 60 21.554 -6.994 0.303 1.00 0.00 ATOM 488 CA HIS 60 22.171 -5.760 -0.171 1.00 0.00 ATOM 489 CB HIS 60 23.706 -5.878 -0.168 1.00 0.00 ATOM 490 CG HIS 60 24.149 -6.987 0.752 1.00 0.00 ATOM 491 CD2 HIS 60 23.812 -8.318 0.823 1.00 0.00 ATOM 492 ND1 HIS 60 25.085 -6.781 1.754 1.00 0.00 ATOM 493 CE1 HIS 60 25.276 -7.958 2.380 1.00 0.00 ATOM 494 NE2 HIS 60 24.524 -8.927 1.851 1.00 0.00 ATOM 495 O HIS 60 21.192 -4.327 -1.821 1.00 0.00 ATOM 496 C HIS 60 21.691 -5.420 -1.572 1.00 0.00 ATOM 497 N LEU 61 21.838 -6.362 -2.480 1.00 0.00 ATOM 498 CA LEU 61 21.404 -6.144 -3.848 1.00 0.00 ATOM 499 CB LEU 61 21.322 -7.480 -4.577 1.00 0.00 ATOM 500 CG LEU 61 22.679 -8.182 -4.536 1.00 0.00 ATOM 501 CD1 LEU 61 22.533 -9.601 -5.101 1.00 0.00 ATOM 502 CD2 LEU 61 23.694 -7.387 -5.366 1.00 0.00 ATOM 503 O LEU 61 19.856 -4.333 -4.206 1.00 0.00 ATOM 504 C LEU 61 20.025 -5.507 -3.865 1.00 0.00 ATOM 505 N LYS 62 19.045 -6.314 -3.504 1.00 0.00 ATOM 506 CA LYS 62 17.657 -5.869 -3.485 1.00 0.00 ATOM 507 CB LYS 62 16.758 -7.052 -3.126 1.00 0.00 ATOM 508 CG LYS 62 15.282 -6.657 -3.279 1.00 0.00 ATOM 509 CD LYS 62 14.926 -6.516 -4.765 1.00 0.00 ATOM 510 CE LYS 62 13.417 -6.692 -4.950 1.00 0.00 ATOM 511 NZ LYS 62 12.697 -5.967 -3.866 1.00 0.00 ATOM 512 O LYS 62 16.791 -3.721 -2.849 1.00 0.00 ATOM 513 C LYS 62 17.442 -4.706 -2.505 1.00 0.00 ATOM 514 N ALA 63 17.989 -4.811 -1.293 1.00 0.00 ATOM 515 CA ALA 63 17.837 -3.740 -0.310 1.00 0.00 ATOM 516 CB ALA 63 18.512 -4.099 1.023 1.00 0.00 ATOM 517 O ALA 63 17.757 -1.465 -1.043 1.00 0.00 ATOM 518 C ALA 63 18.448 -2.460 -0.855 1.00 0.00 ATOM 519 N LYS 64 19.749 -2.497 -1.119 1.00 0.00 ATOM 520 CA LYS 64 20.431 -1.325 -1.652 1.00 0.00 ATOM 521 CB LYS 64 21.771 -1.716 -2.282 1.00 0.00 ATOM 522 CG LYS 64 22.605 -0.453 -2.546 1.00 0.00 ATOM 523 CD LYS 64 23.488 -0.144 -1.325 1.00 0.00 ATOM 524 CE LYS 64 23.636 1.371 -1.156 1.00 0.00 ATOM 525 NZ LYS 64 24.892 1.667 -0.411 1.00 0.00 ATOM 526 O LYS 64 19.516 0.574 -2.807 1.00 0.00 ATOM 527 C LYS 64 19.542 -0.656 -2.687 1.00 0.00 ATOM 528 N ALA 65 18.766 -1.471 -3.398 1.00 0.00 ATOM 529 CA ALA 65 17.842 -0.924 -4.376 1.00 0.00 ATOM 530 CB ALA 65 17.267 -2.021 -5.276 1.00 0.00 ATOM 531 O ALA 65 16.532 0.946 -3.679 1.00 0.00 ATOM 532 C ALA 65 16.719 -0.266 -3.615 1.00 0.00 ATOM 533 N ILE 66 16.008 -1.084 -2.850 1.00 0.00 ATOM 534 CA ILE 66 14.928 -0.588 -2.029 1.00 0.00 ATOM 535 CB ILE 66 14.625 -1.596 -0.937 1.00 0.00 ATOM 536 CG1 ILE 66 13.887 -2.772 -1.565 1.00 0.00 ATOM 537 CG2 ILE 66 13.772 -0.932 0.146 1.00 0.00 ATOM 538 CD1 ILE 66 13.553 -3.811 -0.501 1.00 0.00 ATOM 539 O ILE 66 14.824 1.769 -1.637 1.00 0.00 ATOM 540 C ILE 66 15.373 0.696 -1.393 1.00 0.00 ATOM 541 N TYR 67 16.407 0.554 -0.587 1.00 0.00 ATOM 542 CA TYR 67 17.000 1.671 0.091 1.00 0.00 ATOM 543 CB TYR 67 18.494 1.417 0.215 1.00 0.00 ATOM 544 CG TYR 67 19.182 2.646 0.700 1.00 0.00 ATOM 545 CD1 TYR 67 18.682 3.305 1.802 1.00 0.00 ATOM 546 CD2 TYR 67 20.288 3.144 0.016 1.00 0.00 ATOM 547 CE1 TYR 67 19.278 4.485 2.241 1.00 0.00 ATOM 548 CE2 TYR 67 20.904 4.314 0.451 1.00 0.00 ATOM 549 CZ TYR 67 20.398 4.993 1.564 1.00 0.00 ATOM 550 OH TYR 67 20.995 6.160 1.982 1.00 0.00 ATOM 551 O TYR 67 15.828 3.683 -0.443 1.00 0.00 ATOM 552 C TYR 67 16.757 2.921 -0.714 1.00 0.00 ATOM 553 N GLU 68 17.559 3.101 -1.743 1.00 0.00 ATOM 554 CA GLU 68 17.367 4.242 -2.598 1.00 0.00 ATOM 555 CB GLU 68 18.276 4.144 -3.818 1.00 0.00 ATOM 556 CG GLU 68 19.711 3.863 -3.368 1.00 0.00 ATOM 557 CD GLU 68 20.657 3.937 -4.561 1.00 0.00 ATOM 558 OE1 GLU 68 20.296 4.572 -5.540 1.00 0.00 ATOM 559 OE2 GLU 68 21.728 3.359 -4.481 1.00 0.00 ATOM 560 O GLU 68 15.160 5.169 -2.686 1.00 0.00 ATOM 561 C GLU 68 15.913 4.268 -3.040 1.00 0.00 ATOM 562 N LYS 69 15.547 3.237 -3.795 1.00 0.00 ATOM 563 CA LYS 69 14.192 3.064 -4.322 1.00 0.00 ATOM 564 CB LYS 69 13.847 1.565 -4.354 1.00 0.00 ATOM 565 CG LYS 69 12.697 1.297 -5.334 1.00 0.00 ATOM 566 CD LYS 69 13.182 0.379 -6.462 1.00 0.00 ATOM 567 CE LYS 69 11.984 -0.116 -7.276 1.00 0.00 ATOM 568 NZ LYS 69 10.923 0.928 -7.285 1.00 0.00 ATOM 569 O LYS 69 12.086 4.193 -4.030 1.00 0.00 ATOM 570 C LYS 69 13.128 3.804 -3.495 1.00 0.00 ATOM 571 N PHE 70 13.377 3.987 -2.196 1.00 0.00 ATOM 572 CA PHE 70 12.406 4.660 -1.326 1.00 0.00 ATOM 573 CB PHE 70 11.502 3.627 -0.658 1.00 0.00 ATOM 574 CG PHE 70 10.953 2.607 -1.620 1.00 0.00 ATOM 575 CD1 PHE 70 11.626 1.403 -1.817 1.00 0.00 ATOM 576 CD2 PHE 70 9.737 2.845 -2.267 1.00 0.00 ATOM 577 CE1 PHE 70 11.087 0.429 -2.665 1.00 0.00 ATOM 578 CE2 PHE 70 9.199 1.878 -3.124 1.00 0.00 ATOM 579 CZ PHE 70 9.874 0.669 -3.323 1.00 0.00 ATOM 580 O PHE 70 13.019 6.677 -0.127 1.00 0.00 ATOM 581 C PHE 70 13.095 5.441 -0.200 1.00 0.00 ATOM 582 N ILE 71 13.729 4.674 0.687 1.00 0.00 ATOM 583 CA ILE 71 14.434 5.206 1.856 1.00 0.00 ATOM 584 CB ILE 71 15.507 4.200 2.315 1.00 0.00 ATOM 585 CG1 ILE 71 14.909 2.803 2.469 1.00 0.00 ATOM 586 CG2 ILE 71 16.136 4.595 3.651 1.00 0.00 ATOM 587 CD1 ILE 71 13.967 2.715 3.682 1.00 0.00 ATOM 588 O ILE 71 15.225 7.412 2.346 1.00 0.00 ATOM 589 C ILE 71 15.097 6.525 1.503 1.00 0.00 ATOM 590 N GLN 72 15.513 6.655 0.247 1.00 0.00 ATOM 591 CA GLN 72 16.150 7.884 -0.188 1.00 0.00 ATOM 592 CB GLN 72 16.859 7.671 -1.520 1.00 0.00 ATOM 593 CG GLN 72 17.068 9.005 -2.237 1.00 0.00 ATOM 594 CD GLN 72 17.741 10.011 -1.308 1.00 0.00 ATOM 595 OE1 GLN 72 18.378 9.627 -0.328 1.00 0.00 ATOM 596 NE2 GLN 72 17.645 11.287 -1.565 1.00 0.00 ATOM 597 O GLN 72 13.974 8.755 -0.740 1.00 0.00 ATOM 598 C GLN 72 15.105 8.983 -0.305 1.00 0.00 ATOM 599 N THR 73 15.493 10.169 0.099 1.00 0.00 ATOM 600 CA THR 73 14.589 11.311 0.071 1.00 0.00 ATOM 601 CB THR 73 15.282 12.548 0.625 1.00 0.00 ATOM 602 CG2 THR 73 14.463 13.776 0.234 1.00 0.00 ATOM 603 OG1 THR 73 15.367 12.454 2.040 1.00 0.00 ATOM 604 O THR 73 12.893 11.714 -1.567 1.00 0.00 ATOM 605 C THR 73 14.094 11.616 -1.337 1.00 0.00 ATOM 606 N ASP 74 15.020 11.798 -2.266 1.00 0.00 ATOM 607 CA ASP 74 14.652 12.116 -3.640 1.00 0.00 ATOM 608 CB ASP 74 15.602 13.172 -4.210 1.00 0.00 ATOM 609 CG ASP 74 15.183 13.537 -5.630 1.00 0.00 ATOM 610 OD1 ASP 74 16.020 14.037 -6.362 1.00 0.00 ATOM 611 OD2 ASP 74 14.032 13.311 -5.964 1.00 0.00 ATOM 612 O ASP 74 15.107 10.906 -5.656 1.00 0.00 ATOM 613 C ASP 74 14.708 10.864 -4.493 1.00 0.00 ATOM 614 N ALA 75 14.318 9.744 -3.900 1.00 0.00 ATOM 615 CA ALA 75 14.345 8.475 -4.621 1.00 0.00 ATOM 616 CB ALA 75 14.174 7.308 -3.647 1.00 0.00 ATOM 617 O ALA 75 12.411 9.316 -5.774 1.00 0.00 ATOM 618 C ALA 75 13.249 8.418 -5.682 1.00 0.00 ATOM 619 N PRO 76 13.233 7.368 -6.465 1.00 0.00 ATOM 620 CA PRO 76 12.207 7.174 -7.531 1.00 0.00 ATOM 621 CB PRO 76 12.543 5.801 -8.126 1.00 0.00 ATOM 622 CG PRO 76 13.965 5.545 -7.754 1.00 0.00 ATOM 623 CD PRO 76 14.180 6.246 -6.419 1.00 0.00 ATOM 624 O PRO 76 9.870 7.715 -7.471 1.00 0.00 ATOM 625 C PRO 76 10.821 7.156 -6.925 1.00 0.00 ATOM 626 N LYS 77 10.734 6.499 -5.779 1.00 0.00 ATOM 627 CA LYS 77 9.484 6.385 -5.060 1.00 0.00 ATOM 628 CB LYS 77 8.996 4.932 -5.117 1.00 0.00 ATOM 629 CG LYS 77 9.625 4.218 -6.322 1.00 0.00 ATOM 630 CD LYS 77 8.820 2.955 -6.663 1.00 0.00 ATOM 631 CE LYS 77 8.976 2.632 -8.152 1.00 0.00 ATOM 632 NZ LYS 77 10.371 2.930 -8.582 1.00 0.00 ATOM 633 O LYS 77 9.215 6.262 -2.665 1.00 0.00 ATOM 634 C LYS 77 9.719 6.844 -3.626 1.00 0.00 ATOM 635 N GLU 78 10.523 7.900 -3.522 1.00 0.00 ATOM 636 CA GLU 78 10.900 8.499 -2.245 1.00 0.00 ATOM 637 CB GLU 78 11.166 9.988 -2.458 1.00 0.00 ATOM 638 CG GLU 78 10.190 10.533 -3.500 1.00 0.00 ATOM 639 CD GLU 78 10.261 12.055 -3.538 1.00 0.00 ATOM 640 OE1 GLU 78 10.393 12.649 -2.480 1.00 0.00 ATOM 641 OE2 GLU 78 10.183 12.607 -4.624 1.00 0.00 ATOM 642 O GLU 78 8.652 8.149 -1.456 1.00 0.00 ATOM 643 C GLU 78 9.836 8.322 -1.167 1.00 0.00 ATOM 644 N VAL 79 10.291 8.364 0.085 1.00 0.00 ATOM 645 CA VAL 79 9.401 8.205 1.241 1.00 0.00 ATOM 646 CB VAL 79 9.894 7.009 2.072 1.00 0.00 ATOM 647 CG1 VAL 79 8.853 6.482 3.016 1.00 0.00 ATOM 648 CG2 VAL 79 10.269 5.869 1.146 1.00 0.00 ATOM 649 O VAL 79 10.170 10.402 1.854 1.00 0.00 ATOM 650 C VAL 79 9.418 9.461 2.107 1.00 0.00 ATOM 651 N ASN 80 8.610 9.435 3.155 1.00 0.00 ATOM 652 CA ASN 80 8.542 10.539 4.113 1.00 0.00 ATOM 653 CB ASN 80 7.100 11.042 4.290 1.00 0.00 ATOM 654 CG ASN 80 6.234 10.598 3.115 1.00 0.00 ATOM 655 ND2 ASN 80 6.774 10.436 1.940 1.00 0.00 ATOM 656 OD1 ASN 80 5.029 10.400 3.273 1.00 0.00 ATOM 657 O ASN 80 8.946 10.597 6.493 1.00 0.00 ATOM 658 C ASN 80 9.090 10.011 5.421 1.00 0.00 ATOM 659 N LEU 81 9.724 8.870 5.261 1.00 0.00 ATOM 660 CA LEU 81 10.355 8.126 6.332 1.00 0.00 ATOM 661 CB LEU 81 11.244 7.089 5.654 1.00 0.00 ATOM 662 CG LEU 81 12.109 6.311 6.648 1.00 0.00 ATOM 663 CD1 LEU 81 11.427 5.010 7.003 1.00 0.00 ATOM 664 CD2 LEU 81 13.440 5.970 5.985 1.00 0.00 ATOM 665 O LEU 81 11.794 9.999 6.776 1.00 0.00 ATOM 666 C LEU 81 11.175 9.040 7.239 1.00 0.00 ATOM 667 N ASP 82 11.180 8.728 8.532 1.00 0.00 ATOM 668 CA ASP 82 11.935 9.520 9.496 1.00 0.00 ATOM 669 CB ASP 82 11.677 9.012 10.915 1.00 0.00 ATOM 670 CG ASP 82 12.371 9.916 11.928 1.00 0.00 ATOM 671 OD1 ASP 82 13.355 10.537 11.562 1.00 0.00 ATOM 672 OD2 ASP 82 11.909 9.975 13.056 1.00 0.00 ATOM 673 O ASP 82 13.957 8.369 8.908 1.00 0.00 ATOM 674 C ASP 82 13.424 9.444 9.186 1.00 0.00 ATOM 675 N PHE 83 14.086 10.593 9.220 1.00 0.00 ATOM 676 CA PHE 83 15.512 10.657 8.925 1.00 0.00 ATOM 677 CB PHE 83 16.046 12.055 9.251 1.00 0.00 ATOM 678 CG PHE 83 17.297 12.325 8.448 1.00 0.00 ATOM 679 CD1 PHE 83 17.203 12.927 7.187 1.00 0.00 ATOM 680 CD2 PHE 83 18.549 11.972 8.964 1.00 0.00 ATOM 681 CE1 PHE 83 18.364 13.178 6.444 1.00 0.00 ATOM 682 CE2 PHE 83 19.708 12.221 8.220 1.00 0.00 ATOM 683 CZ PHE 83 19.616 12.824 6.960 1.00 0.00 ATOM 684 O PHE 83 17.257 9.039 9.214 1.00 0.00 ATOM 685 C PHE 83 16.296 9.618 9.719 1.00 0.00 ATOM 686 N HIS 84 15.895 9.397 10.962 1.00 0.00 ATOM 687 CA HIS 84 16.587 8.439 11.812 1.00 0.00 ATOM 688 CB HIS 84 15.877 8.321 13.158 1.00 0.00 ATOM 689 CG HIS 84 16.493 7.197 13.948 1.00 0.00 ATOM 690 CD2 HIS 84 16.212 5.855 14.005 1.00 0.00 ATOM 691 ND1 HIS 84 17.561 7.397 14.809 1.00 0.00 ATOM 692 CE1 HIS 84 17.881 6.203 15.340 1.00 0.00 ATOM 693 NE2 HIS 84 17.089 5.229 14.885 1.00 0.00 ATOM 694 O HIS 84 17.729 6.448 11.135 1.00 0.00 ATOM 695 C HIS 84 16.666 7.063 11.159 1.00 0.00 ATOM 696 N THR 85 15.548 6.569 10.640 1.00 0.00 ATOM 697 CA THR 85 15.555 5.253 10.016 1.00 0.00 ATOM 698 CB THR 85 14.142 4.822 9.614 1.00 0.00 ATOM 699 CG2 THR 85 14.169 3.364 9.117 1.00 0.00 ATOM 700 OG1 THR 85 13.281 4.925 10.739 1.00 0.00 ATOM 701 O THR 85 17.417 4.500 8.723 1.00 0.00 ATOM 702 C THR 85 16.445 5.252 8.788 1.00 0.00 ATOM 703 N LYS 86 16.119 6.090 7.809 1.00 0.00 ATOM 704 CA LYS 86 16.930 6.130 6.605 1.00 0.00 ATOM 705 CB LYS 86 16.461 7.202 5.614 1.00 0.00 ATOM 706 CG LYS 86 16.127 8.502 6.339 1.00 0.00 ATOM 707 CD LYS 86 15.550 9.500 5.325 1.00 0.00 ATOM 708 CE LYS 86 14.119 9.096 4.956 1.00 0.00 ATOM 709 NZ LYS 86 13.363 10.302 4.516 1.00 0.00 ATOM 710 O LYS 86 19.255 5.634 6.574 1.00 0.00 ATOM 711 C LYS 86 18.371 6.373 6.989 1.00 0.00 ATOM 712 N GLU 87 18.605 7.379 7.830 1.00 0.00 ATOM 713 CA GLU 87 19.957 7.659 8.282 1.00 0.00 ATOM 714 CB GLU 87 19.911 8.464 9.590 1.00 0.00 ATOM 715 CG GLU 87 21.251 8.361 10.331 1.00 0.00 ATOM 716 CD GLU 87 21.520 9.644 11.114 1.00 0.00 ATOM 717 OE1 GLU 87 22.262 10.473 10.615 1.00 0.00 ATOM 718 OE2 GLU 87 20.978 9.777 12.198 1.00 0.00 ATOM 719 O GLU 87 21.377 5.832 7.674 1.00 0.00 ATOM 720 C GLU 87 20.642 6.334 8.518 1.00 0.00 ATOM 721 N VAL 88 20.327 5.760 9.653 1.00 0.00 ATOM 722 CA VAL 88 20.838 4.463 10.035 1.00 0.00 ATOM 723 CB VAL 88 19.825 3.847 10.975 1.00 0.00 ATOM 724 CG1 VAL 88 20.294 2.461 11.394 1.00 0.00 ATOM 725 CG2 VAL 88 19.683 4.769 12.183 1.00 0.00 ATOM 726 O VAL 88 22.138 3.221 8.444 1.00 0.00 ATOM 727 C VAL 88 21.017 3.568 8.820 1.00 0.00 ATOM 728 N ILE 89 19.897 3.206 8.211 1.00 0.00 ATOM 729 CA ILE 89 19.924 2.358 7.032 1.00 0.00 ATOM 730 CB ILE 89 18.631 2.544 6.236 1.00 0.00 ATOM 731 CG1 ILE 89 17.526 1.629 6.788 1.00 0.00 ATOM 732 CG2 ILE 89 18.888 2.216 4.764 1.00 0.00 ATOM 733 CD1 ILE 89 16.168 2.339 6.685 1.00 0.00 ATOM 734 O ILE 89 22.003 1.931 5.908 1.00 0.00 ATOM 735 C ILE 89 21.106 2.733 6.148 1.00 0.00 ATOM 736 N THR 90 21.074 3.963 5.654 1.00 0.00 ATOM 737 CA THR 90 22.132 4.453 4.770 1.00 0.00 ATOM 738 CB THR 90 22.056 5.983 4.593 1.00 0.00 ATOM 739 CG2 THR 90 20.600 6.476 4.613 1.00 0.00 ATOM 740 OG1 THR 90 22.773 6.612 5.641 1.00 0.00 ATOM 741 O THR 90 24.467 3.950 4.555 1.00 0.00 ATOM 742 C THR 90 23.508 4.082 5.315 1.00 0.00 ATOM 743 N ASN 91 23.609 3.931 6.636 1.00 0.00 ATOM 744 CA ASN 91 24.891 3.596 7.258 1.00 0.00 ATOM 745 CB ASN 91 25.046 4.370 8.579 1.00 0.00 ATOM 746 CG ASN 91 23.888 5.350 8.725 1.00 0.00 ATOM 747 ND2 ASN 91 23.304 5.799 7.649 1.00 0.00 ATOM 748 OD1 ASN 91 23.524 5.728 9.837 1.00 0.00 ATOM 749 O ASN 91 26.002 1.590 7.969 1.00 0.00 ATOM 750 C ASN 91 24.980 2.096 7.505 1.00 0.00 ATOM 751 N SER 92 23.901 1.391 7.185 1.00 0.00 ATOM 752 CA SER 92 23.855 -0.054 7.366 1.00 0.00 ATOM 753 CB SER 92 22.969 -0.400 8.563 1.00 0.00 ATOM 754 OG SER 92 23.277 -1.713 9.012 1.00 0.00 ATOM 755 O SER 92 23.072 -1.945 6.116 1.00 0.00 ATOM 756 C SER 92 23.311 -0.737 6.115 1.00 0.00 ATOM 757 N ILE 93 23.117 0.035 5.047 1.00 0.00 ATOM 758 CA ILE 93 22.602 -0.534 3.809 1.00 0.00 ATOM 759 CB ILE 93 21.979 0.544 2.921 1.00 0.00 ATOM 760 CG1 ILE 93 21.186 -0.127 1.806 1.00 0.00 ATOM 761 CG2 ILE 93 23.053 1.421 2.301 1.00 0.00 ATOM 762 CD1 ILE 93 19.892 -0.687 2.373 1.00 0.00 ATOM 763 O ILE 93 23.447 -2.127 2.229 1.00 0.00 ATOM 764 C ILE 93 23.709 -1.264 3.064 1.00 0.00 ATOM 765 N THR 94 24.951 -0.930 3.388 1.00 0.00 ATOM 766 CA THR 94 26.088 -1.588 2.760 1.00 0.00 ATOM 767 CB THR 94 27.387 -0.872 3.140 1.00 0.00 ATOM 768 CG2 THR 94 27.410 -0.620 4.648 1.00 0.00 ATOM 769 OG1 THR 94 28.495 -1.683 2.775 1.00 0.00 ATOM 770 O THR 94 26.846 -3.869 2.635 1.00 0.00 ATOM 771 C THR 94 26.146 -3.043 3.221 1.00 0.00 ATOM 772 N GLN 95 25.391 -3.339 4.276 1.00 0.00 ATOM 773 CA GLN 95 25.331 -4.688 4.833 1.00 0.00 ATOM 774 CB GLN 95 26.492 -4.910 5.804 1.00 0.00 ATOM 775 CG GLN 95 27.815 -4.902 5.034 1.00 0.00 ATOM 776 CD GLN 95 28.926 -5.478 5.906 1.00 0.00 ATOM 777 OE1 GLN 95 30.052 -5.654 5.442 1.00 0.00 ATOM 778 NE2 GLN 95 28.673 -5.786 7.148 1.00 0.00 ATOM 779 O GLN 95 23.962 -4.914 6.798 1.00 0.00 ATOM 780 C GLN 95 24.006 -4.881 5.568 1.00 0.00 ATOM 781 N PRO 96 22.934 -4.984 4.831 1.00 0.00 ATOM 782 CA PRO 96 21.567 -5.148 5.394 1.00 0.00 ATOM 783 CB PRO 96 20.680 -4.579 4.288 1.00 0.00 ATOM 784 CG PRO 96 21.427 -4.789 3.010 1.00 0.00 ATOM 785 CD PRO 96 22.909 -4.951 3.365 1.00 0.00 ATOM 786 O PRO 96 22.092 -7.444 5.890 1.00 0.00 ATOM 787 C PRO 96 21.213 -6.605 5.702 1.00 0.00 ATOM 788 N THR 97 19.909 -6.886 5.768 1.00 0.00 ATOM 789 CA THR 97 19.432 -8.237 6.075 1.00 0.00 ATOM 790 CB THR 97 19.570 -8.494 7.569 1.00 0.00 ATOM 791 CG2 THR 97 19.624 -7.150 8.268 1.00 0.00 ATOM 792 OG1 THR 97 18.457 -9.236 8.049 1.00 0.00 ATOM 793 O THR 97 17.395 -7.599 4.970 1.00 0.00 ATOM 794 C THR 97 17.970 -8.406 5.693 1.00 0.00 ATOM 795 N LEU 98 17.384 -9.467 6.212 1.00 0.00 ATOM 796 CA LEU 98 15.984 -9.777 5.952 1.00 0.00 ATOM 797 CB LEU 98 15.710 -11.228 6.346 1.00 0.00 ATOM 798 CG LEU 98 15.251 -12.030 5.129 1.00 0.00 ATOM 799 CD1 LEU 98 16.390 -12.126 4.104 1.00 0.00 ATOM 800 CD2 LEU 98 14.842 -13.437 5.577 1.00 0.00 ATOM 801 O LEU 98 13.866 -9.062 6.811 1.00 0.00 ATOM 802 C LEU 98 15.074 -8.843 6.723 1.00 0.00 ATOM 803 N HIS 99 15.660 -7.801 7.276 1.00 0.00 ATOM 804 CA HIS 99 14.892 -6.832 8.033 1.00 0.00 ATOM 805 CB HIS 99 14.643 -7.370 9.440 1.00 0.00 ATOM 806 CG HIS 99 13.427 -8.258 9.422 1.00 0.00 ATOM 807 CD2 HIS 99 13.192 -9.506 9.939 1.00 0.00 ATOM 808 ND1 HIS 99 12.251 -7.883 8.788 1.00 0.00 ATOM 809 CE1 HIS 99 11.371 -8.889 8.936 1.00 0.00 ATOM 810 NE2 HIS 99 11.893 -9.904 9.631 1.00 0.00 ATOM 811 O HIS 99 15.600 -4.778 9.062 1.00 0.00 ATOM 812 C HIS 99 15.641 -5.513 8.075 1.00 0.00 ATOM 813 N SER 100 16.331 -5.233 6.978 1.00 0.00 ATOM 814 CA SER 100 17.111 -4.016 6.846 1.00 0.00 ATOM 815 CB SER 100 17.592 -3.880 5.409 1.00 0.00 ATOM 816 OG SER 100 18.646 -2.931 5.358 1.00 0.00 ATOM 817 O SER 100 16.558 -2.140 8.225 1.00 0.00 ATOM 818 C SER 100 16.298 -2.787 7.211 1.00 0.00 ATOM 819 N PHE 101 15.324 -2.452 6.368 1.00 0.00 ATOM 820 CA PHE 101 14.508 -1.277 6.621 1.00 0.00 ATOM 821 CB PHE 101 14.181 -0.529 5.317 1.00 0.00 ATOM 822 CG PHE 101 15.161 -0.859 4.218 1.00 0.00 ATOM 823 CD1 PHE 101 15.133 -2.082 3.508 1.00 0.00 ATOM 824 CD2 PHE 101 16.075 0.120 3.867 1.00 0.00 ATOM 825 CE1 PHE 101 16.023 -2.283 2.459 1.00 0.00 ATOM 826 CE2 PHE 101 16.971 -0.089 2.835 1.00 0.00 ATOM 827 CZ PHE 101 16.942 -1.289 2.125 1.00 0.00 ATOM 828 O PHE 101 12.231 -0.918 7.277 1.00 0.00 ATOM 829 C PHE 101 13.230 -1.631 7.369 1.00 0.00 ATOM 830 N ASP 102 13.272 -2.714 8.139 1.00 0.00 ATOM 831 CA ASP 102 12.108 -3.111 8.922 1.00 0.00 ATOM 832 CB ASP 102 12.495 -4.185 9.940 1.00 0.00 ATOM 833 CG ASP 102 13.509 -3.625 10.930 1.00 0.00 ATOM 834 OD1 ASP 102 14.437 -2.967 10.490 1.00 0.00 ATOM 835 OD2 ASP 102 13.343 -3.864 12.115 1.00 0.00 ATOM 836 O ASP 102 10.358 -1.606 9.593 1.00 0.00 ATOM 837 C ASP 102 11.555 -1.887 9.644 1.00 0.00 ATOM 838 N ALA 103 12.454 -1.144 10.286 1.00 0.00 ATOM 839 CA ALA 103 12.072 0.078 10.986 1.00 0.00 ATOM 840 CB ALA 103 13.321 0.779 11.514 1.00 0.00 ATOM 841 O ALA 103 10.361 1.627 10.292 1.00 0.00 ATOM 842 C ALA 103 11.399 1.018 10.012 1.00 0.00 ATOM 843 N ALA 104 12.030 1.139 8.865 1.00 0.00 ATOM 844 CA ALA 104 11.544 2.007 7.828 1.00 0.00 ATOM 845 CB ALA 104 12.367 1.777 6.573 1.00 0.00 ATOM 846 O ALA 104 9.249 2.680 7.655 1.00 0.00 ATOM 847 C ALA 104 10.062 1.759 7.579 1.00 0.00 ATOM 848 N GLN 105 9.710 0.507 7.308 1.00 0.00 ATOM 849 CA GLN 105 8.314 0.154 7.080 1.00 0.00 ATOM 850 CB GLN 105 8.142 -1.362 7.053 1.00 0.00 ATOM 851 CG GLN 105 9.193 -2.009 6.148 1.00 0.00 ATOM 852 CD GLN 105 8.999 -3.522 6.153 1.00 0.00 ATOM 853 OE1 GLN 105 7.898 -4.006 5.890 1.00 0.00 ATOM 854 NE2 GLN 105 10.006 -4.302 6.438 1.00 0.00 ATOM 855 O GLN 105 6.235 0.819 8.054 1.00 0.00 ATOM 856 C GLN 105 7.450 0.728 8.191 1.00 0.00 ATOM 857 N SER 106 8.089 1.103 9.296 1.00 0.00 ATOM 858 CA SER 106 7.369 1.654 10.438 1.00 0.00 ATOM 859 CB SER 106 8.177 1.442 11.719 1.00 0.00 ATOM 860 OG SER 106 7.287 1.320 12.821 1.00 0.00 ATOM 861 O SER 106 5.975 3.595 10.519 1.00 0.00 ATOM 862 C SER 106 7.085 3.142 10.254 1.00 0.00 ATOM 863 N ARG 107 8.084 3.896 9.800 1.00 0.00 ATOM 864 CA ARG 107 7.912 5.319 9.590 1.00 0.00 ATOM 865 CB ARG 107 9.230 5.950 9.141 1.00 0.00 ATOM 866 CG ARG 107 10.350 5.579 10.118 1.00 0.00 ATOM 867 CD ARG 107 9.929 5.931 11.549 1.00 0.00 ATOM 868 NE ARG 107 9.196 7.191 11.571 1.00 0.00 ATOM 869 CZ ARG 107 8.883 7.784 12.718 1.00 0.00 ATOM 870 NH1 ARG 107 9.236 7.240 13.851 1.00 0.00 ATOM 871 NH2 ARG 107 8.224 8.909 12.712 1.00 0.00 ATOM 872 O ARG 107 6.069 6.478 8.626 1.00 0.00 ATOM 873 C ARG 107 6.862 5.551 8.532 1.00 0.00 ATOM 874 N VAL 108 6.856 4.697 7.530 1.00 0.00 ATOM 875 CA VAL 108 5.905 4.823 6.458 1.00 0.00 ATOM 876 CB VAL 108 6.334 3.928 5.322 1.00 0.00 ATOM 877 CG1 VAL 108 5.156 3.697 4.361 1.00 0.00 ATOM 878 CG2 VAL 108 7.496 4.622 4.627 1.00 0.00 ATOM 879 O VAL 108 3.624 5.259 7.003 1.00 0.00 ATOM 880 C VAL 108 4.531 4.437 6.885 1.00 0.00 ATOM 881 N TYR 109 4.390 3.169 7.091 1.00 0.00 ATOM 882 CA TYR 109 3.143 2.617 7.489 1.00 0.00 ATOM 883 CB TYR 109 3.453 1.315 8.190 1.00 0.00 ATOM 884 CG TYR 109 2.388 1.029 9.190 1.00 0.00 ATOM 885 CD1 TYR 109 1.353 0.176 8.864 1.00 0.00 ATOM 886 CD2 TYR 109 2.444 1.639 10.438 1.00 0.00 ATOM 887 CE1 TYR 109 0.346 -0.085 9.794 1.00 0.00 ATOM 888 CE2 TYR 109 1.449 1.391 11.378 1.00 0.00 ATOM 889 CZ TYR 109 0.391 0.523 11.060 1.00 0.00 ATOM 890 OH TYR 109 -0.600 0.270 11.985 1.00 0.00 ATOM 891 O TYR 109 1.167 3.706 8.326 1.00 0.00 ATOM 892 C TYR 109 2.390 3.575 8.415 1.00 0.00 ATOM 893 N GLN 110 3.126 4.239 9.299 1.00 0.00 ATOM 894 CA GLN 110 2.499 5.174 10.233 1.00 0.00 ATOM 895 CB GLN 110 3.433 5.497 11.407 1.00 0.00 ATOM 896 CG GLN 110 4.806 5.904 10.885 1.00 0.00 ATOM 897 CD GLN 110 4.884 7.419 10.728 1.00 0.00 ATOM 898 OE1 GLN 110 3.872 8.072 10.474 1.00 0.00 ATOM 899 NE2 GLN 110 6.034 8.021 10.864 1.00 0.00 ATOM 900 O GLN 110 1.043 7.039 9.852 1.00 0.00 ATOM 901 C GLN 110 2.077 6.460 9.518 1.00 0.00 ATOM 902 N LEU 111 2.854 6.908 8.524 1.00 0.00 ATOM 903 CA LEU 111 2.459 8.127 7.804 1.00 0.00 ATOM 904 CB LEU 111 3.511 8.674 6.792 1.00 0.00 ATOM 905 CG LEU 111 4.869 7.974 6.872 1.00 0.00 ATOM 906 CD1 LEU 111 5.467 7.899 5.458 1.00 0.00 ATOM 907 CD2 LEU 111 5.824 8.755 7.785 1.00 0.00 ATOM 908 O LEU 111 0.149 8.450 7.323 1.00 0.00 ATOM 909 C LEU 111 1.188 7.856 7.035 1.00 0.00 ATOM 910 N MET 112 1.261 6.944 6.064 1.00 0.00 ATOM 911 CA MET 112 0.079 6.610 5.293 1.00 0.00 ATOM 912 CB MET 112 0.221 5.210 4.727 1.00 0.00 ATOM 913 CG MET 112 0.583 5.282 3.239 1.00 0.00 ATOM 914 SD MET 112 0.740 3.618 2.548 1.00 0.00 ATOM 915 CE MET 112 1.875 2.938 3.766 1.00 0.00 ATOM 916 O MET 112 -2.129 7.250 5.969 1.00 0.00 ATOM 917 C MET 112 -1.088 6.649 6.237 1.00 0.00 ATOM 918 N GLU 113 -0.859 6.028 7.378 1.00 0.00 ATOM 919 CA GLU 113 -1.842 6.005 8.422 1.00 0.00 ATOM 920 CB GLU 113 -1.193 5.534 9.731 1.00 0.00 ATOM 921 CG GLU 113 -2.026 4.412 10.352 1.00 0.00 ATOM 922 CD GLU 113 -1.631 4.211 11.811 1.00 0.00 ATOM 923 OE1 GLU 113 -0.811 3.345 12.069 1.00 0.00 ATOM 924 OE2 GLU 113 -2.154 4.926 12.651 1.00 0.00 ATOM 925 O GLU 113 -3.543 7.691 8.193 1.00 0.00 ATOM 926 C GLU 113 -2.409 7.404 8.602 1.00 0.00 ATOM 927 N GLN 114 -1.594 8.280 9.198 1.00 0.00 ATOM 928 CA GLN 114 -2.019 9.647 9.445 1.00 0.00 ATOM 929 CB GLN 114 -1.172 10.254 10.567 1.00 0.00 ATOM 930 CG GLN 114 0.306 10.332 10.128 1.00 0.00 ATOM 931 CD GLN 114 0.847 11.743 10.343 1.00 0.00 ATOM 932 OE1 GLN 114 1.300 12.077 11.437 1.00 0.00 ATOM 933 NE2 GLN 114 0.825 12.596 9.355 1.00 0.00 ATOM 934 O GLN 114 -1.518 11.675 8.280 1.00 0.00 ATOM 935 C GLN 114 -1.886 10.504 8.199 1.00 0.00 ATOM 936 N ASP 115 -2.179 9.921 7.048 1.00 0.00 ATOM 937 CA ASP 115 -2.075 10.659 5.801 1.00 0.00 ATOM 938 CB ASP 115 -0.757 10.322 5.109 1.00 0.00 ATOM 939 CG ASP 115 -0.398 11.410 4.102 1.00 0.00 ATOM 940 OD1 ASP 115 -1.302 11.917 3.459 1.00 0.00 ATOM 941 OD2 ASP 115 0.777 11.720 3.989 1.00 0.00 ATOM 942 O ASP 115 -4.120 11.156 4.672 1.00 0.00 ATOM 943 C ASP 115 -3.227 10.332 4.872 1.00 0.00 ATOM 944 N SER 116 -3.200 9.137 4.286 1.00 0.00 ATOM 945 CA SER 116 -4.256 8.752 3.361 1.00 0.00 ATOM 946 CB SER 116 -3.678 8.569 1.957 1.00 0.00 ATOM 947 OG SER 116 -4.684 8.053 1.098 1.00 0.00 ATOM 948 O SER 116 -5.797 6.945 3.081 1.00 0.00 ATOM 949 C SER 116 -4.968 7.482 3.815 1.00 0.00 ATOM 950 N TYR 117 -4.678 7.012 5.030 1.00 0.00 ATOM 951 CA TYR 117 -5.342 5.829 5.535 1.00 0.00 ATOM 952 CB TYR 117 -4.594 5.382 6.766 1.00 0.00 ATOM 953 CG TYR 117 -5.396 4.406 7.580 1.00 0.00 ATOM 954 CD1 TYR 117 -5.984 3.295 6.969 1.00 0.00 ATOM 955 CD2 TYR 117 -5.504 4.592 8.964 1.00 0.00 ATOM 956 CE1 TYR 117 -6.679 2.358 7.739 1.00 0.00 ATOM 957 CE2 TYR 117 -6.209 3.662 9.738 1.00 0.00 ATOM 958 CZ TYR 117 -6.792 2.544 9.130 1.00 0.00 ATOM 959 OH TYR 117 -7.468 1.627 9.905 1.00 0.00 ATOM 960 O TYR 117 -7.718 5.461 5.629 1.00 0.00 ATOM 961 C TYR 117 -6.765 6.187 5.907 1.00 0.00 ATOM 962 N THR 118 -6.880 7.335 6.539 1.00 0.00 ATOM 963 CA THR 118 -8.165 7.840 6.969 1.00 0.00 ATOM 964 CB THR 118 -7.940 9.161 7.716 1.00 0.00 ATOM 965 CG2 THR 118 -6.480 9.229 8.198 1.00 0.00 ATOM 966 OG1 THR 118 -8.204 10.249 6.841 1.00 0.00 ATOM 967 O THR 118 -10.153 7.454 5.643 1.00 0.00 ATOM 968 C THR 118 -9.071 8.051 5.761 1.00 0.00 ATOM 969 N ARG 119 -8.632 8.894 4.850 1.00 0.00 ATOM 970 CA ARG 119 -9.429 9.152 3.673 1.00 0.00 ATOM 971 CB ARG 119 -8.846 10.315 2.869 1.00 0.00 ATOM 972 CG ARG 119 -8.375 11.412 3.827 1.00 0.00 ATOM 973 CD ARG 119 -7.956 12.644 3.024 1.00 0.00 ATOM 974 NE ARG 119 -9.131 13.317 2.482 1.00 0.00 ATOM 975 CZ ARG 119 -9.970 13.979 3.272 1.00 0.00 ATOM 976 NH1 ARG 119 -9.748 14.038 4.556 1.00 0.00 ATOM 977 NH2 ARG 119 -11.015 14.572 2.763 1.00 0.00 ATOM 978 O ARG 119 -10.473 7.742 2.041 1.00 0.00 ATOM 979 C ARG 119 -9.523 7.905 2.808 1.00 0.00 ATOM 980 N PHE 120 -8.560 7.001 2.959 1.00 0.00 ATOM 981 CA PHE 120 -8.601 5.765 2.203 1.00 0.00 ATOM 982 CB PHE 120 -7.411 4.879 2.569 1.00 0.00 ATOM 983 CG PHE 120 -7.801 3.430 2.465 1.00 0.00 ATOM 984 CD1 PHE 120 -8.023 2.682 3.623 1.00 0.00 ATOM 985 CD2 PHE 120 -7.958 2.843 1.210 1.00 0.00 ATOM 986 CE1 PHE 120 -8.401 1.344 3.526 1.00 0.00 ATOM 987 CE2 PHE 120 -8.330 1.500 1.109 1.00 0.00 ATOM 988 CZ PHE 120 -8.554 0.749 2.270 1.00 0.00 ATOM 989 O PHE 120 -10.497 4.395 1.710 1.00 0.00 ATOM 990 C PHE 120 -9.898 5.075 2.537 1.00 0.00 ATOM 991 N LEU 121 -10.323 5.285 3.767 1.00 0.00 ATOM 992 CA LEU 121 -11.561 4.714 4.248 1.00 0.00 ATOM 993 CB LEU 121 -11.518 4.660 5.750 1.00 0.00 ATOM 994 CG LEU 121 -10.251 3.911 6.125 1.00 0.00 ATOM 995 CD1 LEU 121 -9.926 4.169 7.570 1.00 0.00 ATOM 996 CD2 LEU 121 -10.441 2.418 5.875 1.00 0.00 ATOM 997 O LEU 121 -13.862 5.099 3.759 1.00 0.00 ATOM 998 C LEU 121 -12.720 5.548 3.779 1.00 0.00 ATOM 999 N LYS 122 -12.398 6.758 3.370 1.00 0.00 ATOM 1000 CA LYS 122 -13.387 7.667 2.850 1.00 0.00 ATOM 1001 CB LYS 122 -13.245 9.041 3.512 1.00 0.00 ATOM 1002 CG LYS 122 -14.566 9.829 3.423 1.00 0.00 ATOM 1003 CD LYS 122 -15.750 9.037 4.019 1.00 0.00 ATOM 1004 CE LYS 122 -15.323 8.260 5.273 1.00 0.00 ATOM 1005 NZ LYS 122 -14.611 9.175 6.209 1.00 0.00 ATOM 1006 O LYS 122 -13.751 8.627 0.686 1.00 0.00 ATOM 1007 C LYS 122 -13.195 7.753 1.352 1.00 0.00 ATOM 1008 N SER 123 -12.413 6.805 0.822 1.00 0.00 ATOM 1009 CA SER 123 -12.167 6.748 -0.594 1.00 0.00 ATOM 1010 CB SER 123 -10.735 6.328 -0.865 1.00 0.00 ATOM 1011 OG SER 123 -10.577 4.977 -0.460 1.00 0.00 ATOM 1012 O SER 123 -13.112 4.569 -0.777 1.00 0.00 ATOM 1013 C SER 123 -13.090 5.723 -1.201 1.00 0.00 ATOM 1014 N ASP 124 -13.851 6.154 -2.179 1.00 0.00 ATOM 1015 CA ASP 124 -14.791 5.268 -2.853 1.00 0.00 ATOM 1016 CB ASP 124 -15.069 5.775 -4.271 1.00 0.00 ATOM 1017 CG ASP 124 -15.691 7.166 -4.214 1.00 0.00 ATOM 1018 OD1 ASP 124 -15.377 7.895 -3.288 1.00 0.00 ATOM 1019 OD2 ASP 124 -16.472 7.480 -5.097 1.00 0.00 ATOM 1020 O ASP 124 -14.988 2.878 -3.036 1.00 0.00 ATOM 1021 C ASP 124 -14.234 3.842 -2.915 1.00 0.00 ATOM 1022 N ILE 125 -12.909 3.720 -2.809 1.00 0.00 ATOM 1023 CA ILE 125 -12.261 2.409 -2.830 1.00 0.00 ATOM 1024 CB ILE 125 -10.719 2.577 -2.801 1.00 0.00 ATOM 1025 CG1 ILE 125 -10.069 1.441 -3.604 1.00 0.00 ATOM 1026 CG2 ILE 125 -10.168 2.545 -1.346 1.00 0.00 ATOM 1027 CD1 ILE 125 -10.508 1.514 -5.074 1.00 0.00 ATOM 1028 O ILE 125 -13.171 0.460 -1.740 1.00 0.00 ATOM 1029 C ILE 125 -12.701 1.597 -1.627 1.00 0.00 ATOM 1030 N TYR 126 -12.525 2.197 -0.473 1.00 0.00 ATOM 1031 CA TYR 126 -12.869 1.555 0.768 1.00 0.00 ATOM 1032 CB TYR 126 -12.150 2.280 1.876 1.00 0.00 ATOM 1033 CG TYR 126 -12.565 1.716 3.189 1.00 0.00 ATOM 1034 CD1 TYR 126 -13.742 2.162 3.792 1.00 0.00 ATOM 1035 CD2 TYR 126 -11.762 0.762 3.808 1.00 0.00 ATOM 1036 CE1 TYR 126 -14.117 1.645 5.036 1.00 0.00 ATOM 1037 CE2 TYR 126 -12.133 0.241 5.039 1.00 0.00 ATOM 1038 CZ TYR 126 -13.310 0.680 5.658 1.00 0.00 ATOM 1039 OH TYR 126 -13.659 0.185 6.895 1.00 0.00 ATOM 1040 O TYR 126 -14.939 0.732 1.630 1.00 0.00 ATOM 1041 C TYR 126 -14.357 1.597 0.978 1.00 0.00 ATOM 1042 N LEU 127 -14.968 2.583 0.385 1.00 0.00 ATOM 1043 CA LEU 127 -16.394 2.713 0.459 1.00 0.00 ATOM 1044 CB LEU 127 -16.767 4.079 -0.085 1.00 0.00 ATOM 1045 CG LEU 127 -16.885 5.081 1.060 1.00 0.00 ATOM 1046 CD1 LEU 127 -18.196 4.875 1.823 1.00 0.00 ATOM 1047 CD2 LEU 127 -15.700 4.908 1.995 1.00 0.00 ATOM 1048 O LEU 127 -17.921 0.915 0.019 1.00 0.00 ATOM 1049 C LEU 127 -16.983 1.604 -0.383 1.00 0.00 ATOM 1050 N ASP 128 -16.376 1.419 -1.542 1.00 0.00 ATOM 1051 CA ASP 128 -16.783 0.362 -2.447 1.00 0.00 ATOM 1052 CB ASP 128 -15.787 0.212 -3.599 1.00 0.00 ATOM 1053 CG ASP 128 -16.134 -1.019 -4.429 1.00 0.00 ATOM 1054 OD1 ASP 128 -15.450 -2.019 -4.285 1.00 0.00 ATOM 1055 OD2 ASP 128 -17.079 -0.944 -5.198 1.00 0.00 ATOM 1056 O ASP 128 -17.859 -1.671 -1.806 1.00 0.00 ATOM 1057 C ASP 128 -16.879 -0.943 -1.668 1.00 0.00 ATOM 1058 N LEU 129 -15.879 -1.237 -0.818 1.00 0.00 ATOM 1059 CA LEU 129 -15.975 -2.471 -0.028 1.00 0.00 ATOM 1060 CB LEU 129 -14.752 -2.729 0.883 1.00 0.00 ATOM 1061 CG LEU 129 -13.625 -1.743 0.607 1.00 0.00 ATOM 1062 CD1 LEU 129 -12.654 -1.760 1.787 1.00 0.00 ATOM 1063 CD2 LEU 129 -12.883 -2.131 -0.674 1.00 0.00 ATOM 1064 O LEU 129 -18.030 -3.280 0.913 1.00 0.00 ATOM 1065 C LEU 129 -17.201 -2.372 0.859 1.00 0.00 ATOM 1066 N MET 130 -17.289 -1.254 1.565 1.00 0.00 ATOM 1067 CA MET 130 -18.395 -1.012 2.472 1.00 0.00 ATOM 1068 CB MET 130 -18.200 0.332 3.179 1.00 0.00 ATOM 1069 CG MET 130 -16.852 0.351 3.932 1.00 0.00 ATOM 1070 SD MET 130 -16.136 -1.313 3.998 1.00 0.00 ATOM 1071 CE MET 130 -15.468 -1.236 5.674 1.00 0.00 ATOM 1072 O MET 130 -20.526 -1.945 1.918 1.00 0.00 ATOM 1073 C MET 130 -19.723 -1.031 1.733 1.00 0.00 ATOM 1074 N GLU 131 -19.947 -0.028 0.894 1.00 0.00 ATOM 1075 CA GLU 131 -21.185 0.058 0.126 1.00 0.00 ATOM 1076 CB GLU 131 -21.011 -0.612 -1.241 1.00 0.00 ATOM 1077 CG GLU 131 -20.414 -2.017 -1.089 1.00 0.00 ATOM 1078 CD GLU 131 -21.465 -2.979 -0.546 1.00 0.00 ATOM 1079 OE1 GLU 131 -22.545 -3.027 -1.111 1.00 0.00 ATOM 1080 OE2 GLU 131 -21.173 -3.656 0.426 1.00 0.00 ATOM 1081 O GLU 131 -23.205 -1.236 0.268 1.00 0.00 ATOM 1082 C GLU 131 -22.343 -0.600 0.872 1.00 0.00 ATOM 1083 N GLY 132 -22.352 -0.440 2.191 1.00 0.00 ATOM 1084 CA GLY 132 -23.404 -1.024 3.019 1.00 0.00 ATOM 1085 O GLY 132 -25.020 -0.106 4.536 1.00 0.00 ATOM 1086 C GLY 132 -24.384 0.042 3.492 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_726253517.pdb -s /var/tmp/to_scwrl_726253517.seq -o /var/tmp/from_scwrl_726253517.pdb > /var/tmp/scwrl_726253517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_726253517.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 102 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -73.485 # GDT_score(maxd=8.000,maxw=2.900)= -78.523 # GDT_score(maxd=8.000,maxw=3.200)= -73.683 # GDT_score(maxd=8.000,maxw=3.500)= -69.132 # GDT_score(maxd=10.000,maxw=3.800)= -72.008 # GDT_score(maxd=10.000,maxw=4.000)= -69.239 # GDT_score(maxd=10.000,maxw=4.200)= -66.590 # GDT_score(maxd=12.000,maxw=4.300)= -70.650 # GDT_score(maxd=12.000,maxw=4.500)= -68.095 # GDT_score(maxd=12.000,maxw=4.700)= -65.619 # GDT_score(maxd=14.000,maxw=5.200)= -63.972 # GDT_score(maxd=14.000,maxw=5.500)= -60.854 # command:# request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1877617804.pdb -s /var/tmp/to_scwrl_1877617804.seq -o /var/tmp/from_scwrl_1877617804.pdb > /var/tmp/scwrl_1877617804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877617804.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:# ReadConformPDB reading from PDB file model3.ts-submitted looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.977 # GDT_score = -72.727 # GDT_score(maxd=8.000,maxw=2.900)= -77.622 # GDT_score(maxd=8.000,maxw=3.200)= -73.071 # GDT_score(maxd=8.000,maxw=3.500)= -68.799 # GDT_score(maxd=10.000,maxw=3.800)= -71.523 # GDT_score(maxd=10.000,maxw=4.000)= -68.909 # GDT_score(maxd=10.000,maxw=4.200)= -66.342 # GDT_score(maxd=12.000,maxw=4.300)= -70.218 # GDT_score(maxd=12.000,maxw=4.500)= -67.740 # GDT_score(maxd=12.000,maxw=4.700)= -65.337 # GDT_score(maxd=14.000,maxw=5.200)= -63.675 # GDT_score(maxd=14.000,maxw=5.500)= -60.595 # command:# request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_110771804.pdb -s /var/tmp/to_scwrl_110771804.seq -o /var/tmp/from_scwrl_110771804.pdb > /var/tmp/scwrl_110771804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110771804.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 T0302 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.955 # GDT_score = -75.947 # GDT_score(maxd=8.000,maxw=2.900)= -80.376 # GDT_score(maxd=8.000,maxw=3.200)= -76.451 # GDT_score(maxd=8.000,maxw=3.500)= -72.302 # GDT_score(maxd=10.000,maxw=3.800)= -74.542 # GDT_score(maxd=10.000,maxw=4.000)= -71.905 # GDT_score(maxd=10.000,maxw=4.200)= -69.401 # GDT_score(maxd=12.000,maxw=4.300)= -72.903 # GDT_score(maxd=12.000,maxw=4.500)= -70.495 # GDT_score(maxd=12.000,maxw=4.700)= -68.186 # GDT_score(maxd=14.000,maxw=5.200)= -66.427 # GDT_score(maxd=14.000,maxw=5.500)= -63.291 # command:# request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1283060750.pdb -s /var/tmp/to_scwrl_1283060750.seq -o /var/tmp/from_scwrl_1283060750.pdb > /var/tmp/scwrl_1283060750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283060750.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 T0302 can't currently be optimized by undertaker # command:# fraction of real conformation used = 0.955 # GDT_score = -51.136 # GDT_score(maxd=8.000,maxw=2.900)= -54.732 # GDT_score(maxd=8.000,maxw=3.200)= -51.690 # GDT_score(maxd=8.000,maxw=3.500)= -48.784 # GDT_score(maxd=10.000,maxw=3.800)= -50.747 # GDT_score(maxd=10.000,maxw=4.000)= -48.868 # GDT_score(maxd=10.000,maxw=4.200)= -47.024 # GDT_score(maxd=12.000,maxw=4.300)= -49.936 # GDT_score(maxd=12.000,maxw=4.500)= -48.160 # GDT_score(maxd=12.000,maxw=4.700)= -46.499 # GDT_score(maxd=14.000,maxw=5.200)= -45.607 # GDT_score(maxd=14.000,maxw=5.500)= -43.413 # command:# request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1826082848.pdb -s /var/tmp/to_scwrl_1826082848.seq -o /var/tmp/from_scwrl_1826082848.pdb > /var/tmp/scwrl_1826082848.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1826082848.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 T0302.try1-opt2.pdb looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -73.295 # GDT_score(maxd=8.000,maxw=2.900)= -78.516 # GDT_score(maxd=8.000,maxw=3.200)= -73.676 # GDT_score(maxd=8.000,maxw=3.500)= -69.112 # GDT_score(maxd=10.000,maxw=3.800)= -71.982 # GDT_score(maxd=10.000,maxw=4.000)= -69.223 # GDT_score(maxd=10.000,maxw=4.200)= -66.571 # GDT_score(maxd=12.000,maxw=4.300)= -70.638 # GDT_score(maxd=12.000,maxw=4.500)= -68.078 # GDT_score(maxd=12.000,maxw=4.700)= -65.607 # GDT_score(maxd=14.000,maxw=5.200)= -63.974 # GDT_score(maxd=14.000,maxw=5.500)= -60.857 # command:# Prefix for output files set to # command:EXPDTA T0302.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0302.try1-opt2.pdb ATOM 1 N SER A 1 -23.127 -8.202 -0.483 1.00 0.00 ATOM 2 CA SER A 1 -23.086 -9.600 0.045 1.00 0.00 ATOM 3 CB SER A 1 -22.163 -10.470 -0.812 1.00 0.00 ATOM 4 OG SER A 1 -20.815 -10.054 -0.691 1.00 0.00 ATOM 5 O SER A 1 -21.787 -8.693 1.834 1.00 0.00 ATOM 6 C SER A 1 -22.574 -9.581 1.483 1.00 0.00 ATOM 7 N MET A 2 -23.045 -10.490 2.325 1.00 0.00 ATOM 8 CA MET A 2 -22.658 -10.467 3.735 1.00 0.00 ATOM 9 CB MET A 2 -23.422 -11.586 4.481 1.00 0.00 ATOM 10 CG MET A 2 -22.830 -12.962 4.481 1.00 0.00 ATOM 11 SD MET A 2 -23.831 -14.092 5.505 1.00 0.00 ATOM 12 CE MET A 2 -25.415 -13.731 4.799 1.00 0.00 ATOM 13 O MET A 2 -20.604 -9.832 4.755 1.00 0.00 ATOM 14 C MET A 2 -21.141 -10.547 3.900 1.00 0.00 ATOM 15 N VAL A 3 -20.398 -11.398 3.066 1.00 0.00 ATOM 16 CA VAL A 3 -18.934 -11.499 3.148 1.00 0.00 ATOM 17 CB VAL A 3 -18.393 -12.606 2.224 1.00 0.00 ATOM 18 CG1 VAL A 3 -16.872 -12.567 2.180 1.00 0.00 ATOM 19 CG2 VAL A 3 -18.824 -13.976 2.725 1.00 0.00 ATOM 20 O VAL A 3 -17.274 -9.806 3.372 1.00 0.00 ATOM 21 C VAL A 3 -18.248 -10.217 2.746 1.00 0.00 ATOM 22 N SER A 4 -18.724 -9.615 1.670 1.00 0.00 ATOM 23 CA SER A 4 -18.205 -8.335 1.258 1.00 0.00 ATOM 24 CB SER A 4 -18.921 -7.849 -0.004 1.00 0.00 ATOM 25 OG SER A 4 -18.623 -8.680 -1.111 1.00 0.00 ATOM 26 O SER A 4 -17.431 -6.713 2.807 1.00 0.00 ATOM 27 C SER A 4 -18.414 -7.331 2.371 1.00 0.00 ATOM 28 N PRO A 5 -19.625 -7.169 2.934 1.00 0.00 ATOM 29 CA PRO A 5 -19.837 -6.289 4.074 1.00 0.00 ATOM 30 CB PRO A 5 -21.255 -6.586 4.471 1.00 0.00 ATOM 31 CG PRO A 5 -21.929 -6.765 3.113 1.00 0.00 ATOM 32 CD PRO A 5 -20.935 -7.655 2.450 1.00 0.00 ATOM 33 O PRO A 5 -18.483 -5.634 5.935 1.00 0.00 ATOM 34 C PRO A 5 -18.979 -6.581 5.289 1.00 0.00 ATOM 35 N GLU A 6 -18.800 -7.799 5.672 1.00 0.00 ATOM 36 CA GLU A 6 -17.965 -8.160 6.818 1.00 0.00 ATOM 37 CB GLU A 6 -17.948 -9.677 7.011 1.00 0.00 ATOM 38 CG GLU A 6 -19.260 -10.253 7.517 1.00 0.00 ATOM 39 CD GLU A 6 -19.247 -11.767 7.579 1.00 0.00 ATOM 40 OE1 GLU A 6 -18.238 -12.371 7.157 1.00 0.00 ATOM 41 OE2 GLU A 6 -20.245 -12.352 8.049 1.00 0.00 ATOM 42 O GLU A 6 -15.896 -7.185 7.556 1.00 0.00 ATOM 43 C GLU A 6 -16.523 -7.698 6.631 1.00 0.00 ATOM 44 N GLU A 7 -16.010 -7.892 5.427 1.00 0.00 ATOM 45 CA GLU A 7 -14.616 -7.491 5.146 1.00 0.00 ATOM 46 CB GLU A 7 -14.224 -7.882 3.720 1.00 0.00 ATOM 47 CG GLU A 7 -14.062 -9.378 3.510 1.00 0.00 ATOM 48 CD GLU A 7 -13.794 -9.738 2.061 1.00 0.00 ATOM 49 OE1 GLU A 7 -13.808 -8.823 1.210 1.00 0.00 ATOM 50 OE2 GLU A 7 -13.571 -10.933 1.777 1.00 0.00 ATOM 51 O GLU A 7 -13.440 -5.499 5.822 1.00 0.00 ATOM 52 C GLU A 7 -14.457 -5.980 5.308 1.00 0.00 ATOM 53 N ALA A 8 -15.452 -5.225 4.826 1.00 0.00 ATOM 54 CA ALA A 8 -15.418 -3.761 4.937 1.00 0.00 ATOM 55 CB ALA A 8 -16.602 -3.176 4.250 1.00 0.00 ATOM 56 O ALA A 8 -14.642 -2.472 6.831 1.00 0.00 ATOM 57 C ALA A 8 -15.433 -3.341 6.417 1.00 0.00 ATOM 58 N VAL A 9 -16.346 -3.934 7.194 1.00 0.00 ATOM 59 CA VAL A 9 -16.435 -3.581 8.589 1.00 0.00 ATOM 60 CB VAL A 9 -17.586 -4.330 9.288 1.00 0.00 ATOM 61 CG1 VAL A 9 -17.545 -4.089 10.789 1.00 0.00 ATOM 62 CG2 VAL A 9 -18.930 -3.850 8.761 1.00 0.00 ATOM 63 O VAL A 9 -14.578 -3.136 10.064 1.00 0.00 ATOM 64 C VAL A 9 -15.107 -3.920 9.263 1.00 0.00 ATOM 65 N LYS A 10 -14.539 -5.077 8.920 1.00 0.00 ATOM 66 CA LYS A 10 -13.280 -5.475 9.564 1.00 0.00 ATOM 67 CB LYS A 10 -12.919 -6.878 9.068 1.00 0.00 ATOM 68 CG LYS A 10 -13.797 -7.982 9.632 1.00 0.00 ATOM 69 CD LYS A 10 -13.387 -9.343 9.094 1.00 0.00 ATOM 70 CE LYS A 10 -14.265 -10.447 9.660 1.00 0.00 ATOM 71 NZ LYS A 10 -13.892 -11.783 9.119 1.00 0.00 ATOM 72 O LYS A 10 -11.266 -4.329 10.015 1.00 0.00 ATOM 73 C LYS A 10 -12.163 -4.550 9.201 1.00 0.00 ATOM 74 N TRP A 11 -12.170 -4.035 7.981 1.00 0.00 ATOM 75 CA TRP A 11 -11.085 -3.153 7.558 1.00 0.00 ATOM 76 CB TRP A 11 -11.240 -2.790 6.080 1.00 0.00 ATOM 77 CG TRP A 11 -10.983 -3.938 5.151 1.00 0.00 ATOM 78 CD1 TRP A 11 -10.545 -5.185 5.490 1.00 0.00 ATOM 79 CD2 TRP A 11 -11.147 -3.943 3.728 1.00 0.00 ATOM 80 CE2 TRP A 11 -10.792 -5.228 3.272 1.00 0.00 ATOM 81 CE3 TRP A 11 -11.562 -2.988 2.793 1.00 0.00 ATOM 82 NE1 TRP A 11 -10.427 -5.969 4.368 1.00 0.00 ATOM 83 CZ2 TRP A 11 -10.837 -5.581 1.924 1.00 0.00 ATOM 84 CZ3 TRP A 11 -11.605 -3.343 1.460 1.00 0.00 ATOM 85 CH2 TRP A 11 -11.245 -4.627 1.034 1.00 0.00 ATOM 86 O TRP A 11 -10.074 -1.187 8.525 1.00 0.00 ATOM 87 C TRP A 11 -11.095 -1.877 8.398 1.00 0.00 ATOM 88 N GLY A 12 -12.255 -1.567 8.971 1.00 0.00 ATOM 89 CA GLY A 12 -12.399 -0.370 9.789 1.00 0.00 ATOM 90 O GLY A 12 -11.967 0.299 12.039 1.00 0.00 ATOM 91 C GLY A 12 -12.025 -0.637 11.236 1.00 0.00 ATOM 92 N GLU A 13 -11.755 -1.901 11.573 1.00 0.00 ATOM 93 CA GLU A 13 -11.395 -2.251 12.948 1.00 0.00 ATOM 94 CB GLU A 13 -11.273 -3.769 13.100 1.00 0.00 ATOM 95 CG GLU A 13 -12.593 -4.512 12.986 1.00 0.00 ATOM 96 CD GLU A 13 -13.586 -4.107 14.057 1.00 0.00 ATOM 97 OE1 GLU A 13 -13.229 -4.173 15.253 1.00 0.00 ATOM 98 OE2 GLU A 13 -14.719 -3.723 13.702 1.00 0.00 ATOM 99 O GLU A 13 -9.947 -0.886 14.299 1.00 0.00 ATOM 100 C GLU A 13 -10.058 -1.609 13.303 1.00 0.00 ATOM 101 N SER A 14 -8.911 -1.848 12.466 1.00 0.00 ATOM 102 CA SER A 14 -7.631 -1.174 12.687 1.00 0.00 ATOM 103 CB SER A 14 -6.899 -1.789 13.879 1.00 0.00 ATOM 104 OG SER A 14 -6.471 -3.109 13.590 1.00 0.00 ATOM 105 O SER A 14 -7.223 -1.849 10.422 1.00 0.00 ATOM 106 C SER A 14 -6.853 -1.170 11.381 1.00 0.00 ATOM 107 N PHE A 15 -5.763 -0.473 11.353 1.00 0.00 ATOM 108 CA PHE A 15 -4.938 -0.395 10.160 1.00 0.00 ATOM 109 CB PHE A 15 -3.959 0.878 10.395 1.00 0.00 ATOM 110 CG PHE A 15 -3.065 1.162 9.213 1.00 0.00 ATOM 111 CD1 PHE A 15 -3.477 2.046 8.230 1.00 0.00 ATOM 112 CD2 PHE A 15 -1.829 0.561 9.099 1.00 0.00 ATOM 113 CE1 PHE A 15 -2.669 2.317 7.136 1.00 0.00 ATOM 114 CE2 PHE A 15 -1.011 0.817 8.004 1.00 0.00 ATOM 115 CZ PHE A 15 -1.439 1.694 7.026 1.00 0.00 ATOM 116 O PHE A 15 -4.058 -1.985 8.618 1.00 0.00 ATOM 117 C PHE A 15 -4.243 -1.699 9.798 1.00 0.00 ATOM 118 N ASP A 16 -3.859 -2.496 10.789 1.00 0.00 ATOM 119 CA ASP A 16 -3.167 -3.742 10.484 1.00 0.00 ATOM 120 CB ASP A 16 -2.684 -4.416 11.769 1.00 0.00 ATOM 121 CG ASP A 16 -1.863 -5.662 11.501 1.00 0.00 ATOM 122 OD1 ASP A 16 -0.796 -5.544 10.862 1.00 0.00 ATOM 123 OD2 ASP A 16 -2.286 -6.757 11.929 1.00 0.00 ATOM 124 O ASP A 16 -3.566 -5.488 8.888 1.00 0.00 ATOM 125 C ASP A 16 -4.047 -4.760 9.758 1.00 0.00 ATOM 126 N LYS A 17 -5.328 -4.804 10.077 1.00 0.00 ATOM 127 CA LYS A 17 -6.277 -5.679 9.380 1.00 0.00 ATOM 128 CB LYS A 17 -7.671 -5.548 10.055 1.00 0.00 ATOM 129 CG LYS A 17 -7.642 -6.231 11.436 1.00 0.00 ATOM 130 CD LYS A 17 -9.035 -6.097 12.112 1.00 0.00 ATOM 131 CE LYS A 17 -9.100 -7.041 13.321 1.00 0.00 ATOM 132 NZ LYS A 17 -10.415 -6.806 14.008 1.00 0.00 ATOM 133 O LYS A 17 -6.489 -6.200 7.053 1.00 0.00 ATOM 134 C LYS A 17 -6.400 -5.322 7.904 1.00 0.00 ATOM 135 N LEU A 18 -6.420 -4.027 7.603 1.00 0.00 ATOM 136 CA LEU A 18 -6.518 -3.578 6.219 1.00 0.00 ATOM 137 CB LEU A 18 -6.726 -2.063 6.159 1.00 0.00 ATOM 138 CG LEU A 18 -6.831 -1.448 4.763 1.00 0.00 ATOM 139 CD1 LEU A 18 -8.021 -2.023 4.011 1.00 0.00 ATOM 140 CD2 LEU A 18 -7.009 0.061 4.853 1.00 0.00 ATOM 141 O LEU A 18 -5.278 -4.596 4.404 1.00 0.00 ATOM 142 C LEU A 18 -5.236 -3.926 5.447 1.00 0.00 ATOM 143 N LEU A 19 -4.093 -3.497 5.972 1.00 0.00 ATOM 144 CA LEU A 19 -2.823 -3.720 5.278 1.00 0.00 ATOM 145 CB LEU A 19 -1.692 -2.969 5.980 1.00 0.00 ATOM 146 CG LEU A 19 -0.329 -2.993 5.284 1.00 0.00 ATOM 147 CD1 LEU A 19 -0.422 -2.371 3.898 1.00 0.00 ATOM 148 CD2 LEU A 19 0.700 -2.210 6.087 1.00 0.00 ATOM 149 O LEU A 19 -1.649 -5.556 4.251 1.00 0.00 ATOM 150 C LEU A 19 -2.361 -5.184 5.188 1.00 0.00 ATOM 151 N SER A 20 -2.804 -6.011 6.135 1.00 0.00 ATOM 152 CA SER A 20 -2.453 -7.425 6.161 1.00 0.00 ATOM 153 CB SER A 20 -2.481 -7.959 7.595 1.00 0.00 ATOM 154 OG SER A 20 -3.787 -7.888 8.139 1.00 0.00 ATOM 155 O SER A 20 -3.293 -9.478 5.257 1.00 0.00 ATOM 156 C SER A 20 -3.407 -8.258 5.305 1.00 0.00 ATOM 157 N HIS A 21 -4.362 -7.602 4.657 1.00 0.00 ATOM 158 CA HIS A 21 -5.316 -8.291 3.793 1.00 0.00 ATOM 159 CB HIS A 21 -6.734 -7.802 4.092 1.00 0.00 ATOM 160 CG HIS A 21 -7.802 -8.574 3.383 1.00 0.00 ATOM 161 CD2 HIS A 21 -8.652 -9.711 3.707 1.00 0.00 ATOM 162 ND1 HIS A 21 -8.210 -8.276 2.100 1.00 0.00 ATOM 163 CE1 HIS A 21 -9.176 -9.137 1.736 1.00 0.00 ATOM 164 NE2 HIS A 21 -9.446 -10.002 2.696 1.00 0.00 ATOM 165 O HIS A 21 -4.550 -6.750 2.050 1.00 0.00 ATOM 166 C HIS A 21 -4.829 -7.916 2.393 1.00 0.00 ATOM 167 N ARG A 22 -4.795 -8.948 1.455 1.00 0.00 ATOM 168 CA ARG A 22 -4.344 -8.622 0.102 1.00 0.00 ATOM 169 CB ARG A 22 -4.249 -9.818 -0.808 1.00 0.00 ATOM 170 CG ARG A 22 -3.148 -10.781 -0.407 1.00 0.00 ATOM 171 CD ARG A 22 -2.753 -11.778 -1.509 1.00 0.00 ATOM 172 NE ARG A 22 -3.873 -12.663 -1.881 1.00 0.00 ATOM 173 CZ ARG A 22 -4.168 -13.786 -1.259 1.00 0.00 ATOM 174 NH1 ARG A 22 -3.455 -14.206 -0.248 1.00 0.00 ATOM 175 NH2 ARG A 22 -5.201 -14.527 -1.671 1.00 0.00 ATOM 176 O ARG A 22 -4.891 -6.650 -1.155 1.00 0.00 ATOM 177 C ARG A 22 -5.310 -7.653 -0.575 1.00 0.00 ATOM 178 N ASP A 23 -6.608 -7.945 -0.500 1.00 0.00 ATOM 179 CA ASP A 23 -7.601 -7.077 -1.122 1.00 0.00 ATOM 180 CB ASP A 23 -8.992 -7.715 -1.086 1.00 0.00 ATOM 181 CG ASP A 23 -9.123 -8.878 -2.050 1.00 0.00 ATOM 182 OD1 ASP A 23 -8.235 -9.037 -2.913 1.00 0.00 ATOM 183 OD2 ASP A 23 -10.114 -9.629 -1.942 1.00 0.00 ATOM 184 O ASP A 23 -7.971 -4.699 -1.051 1.00 0.00 ATOM 185 C ASP A 23 -7.656 -5.714 -0.424 1.00 0.00 ATOM 186 N GLY A 24 -7.355 -5.707 0.867 1.00 0.00 ATOM 187 CA GLY A 24 -7.351 -4.458 1.612 1.00 0.00 ATOM 188 O GLY A 24 -6.474 -2.348 0.868 1.00 0.00 ATOM 189 C GLY A 24 -6.256 -3.540 1.087 1.00 0.00 ATOM 190 N LEU A 25 -5.043 -4.096 0.861 1.00 0.00 ATOM 191 CA LEU A 25 -3.913 -3.335 0.337 1.00 0.00 ATOM 192 CB LEU A 25 -2.660 -4.217 0.357 1.00 0.00 ATOM 193 CG LEU A 25 -1.361 -3.533 -0.087 1.00 0.00 ATOM 194 CD1 LEU A 25 -1.041 -2.354 0.805 1.00 0.00 ATOM 195 CD2 LEU A 25 -0.233 -4.555 -0.104 1.00 0.00 ATOM 196 O LEU A 25 -3.783 -1.769 -1.476 1.00 0.00 ATOM 197 C LEU A 25 -4.174 -2.874 -1.091 1.00 0.00 ATOM 198 N GLU A 26 -4.844 -3.719 -1.869 1.00 0.00 ATOM 199 CA GLU A 26 -5.149 -3.362 -3.243 1.00 0.00 ATOM 200 CB GLU A 26 -5.850 -4.543 -3.921 1.00 0.00 ATOM 201 CG GLU A 26 -4.936 -5.723 -4.211 1.00 0.00 ATOM 202 CD GLU A 26 -5.687 -6.916 -4.766 1.00 0.00 ATOM 203 OE1 GLU A 26 -6.931 -6.848 -4.855 1.00 0.00 ATOM 204 OE2 GLU A 26 -5.030 -7.921 -5.112 1.00 0.00 ATOM 205 O GLU A 26 -5.879 -1.181 -4.004 1.00 0.00 ATOM 206 C GLU A 26 -6.087 -2.143 -3.253 1.00 0.00 ATOM 207 N ALA A 27 -7.108 -2.179 -2.413 1.00 0.00 ATOM 208 CA ALA A 27 -8.035 -1.063 -2.329 1.00 0.00 ATOM 209 CB ALA A 27 -9.204 -1.427 -1.427 1.00 0.00 ATOM 210 O ALA A 27 -7.566 1.299 -2.304 1.00 0.00 ATOM 211 C ALA A 27 -7.359 0.192 -1.793 1.00 0.00 ATOM 212 N PHE A 28 -6.543 0.013 -0.763 1.00 0.00 ATOM 213 CA PHE A 28 -5.843 1.131 -0.162 1.00 0.00 ATOM 214 CB PHE A 28 -5.242 0.629 1.163 1.00 0.00 ATOM 215 CG PHE A 28 -4.574 1.692 1.968 1.00 0.00 ATOM 216 CD1 PHE A 28 -5.368 2.434 2.837 1.00 0.00 ATOM 217 CD2 PHE A 28 -3.219 1.949 1.850 1.00 0.00 ATOM 218 CE1 PHE A 28 -4.841 3.442 3.622 1.00 0.00 ATOM 219 CE2 PHE A 28 -2.651 2.976 2.636 1.00 0.00 ATOM 220 CZ PHE A 28 -3.492 3.695 3.478 1.00 0.00 ATOM 221 O PHE A 28 -4.747 2.981 -1.233 1.00 0.00 ATOM 222 C PHE A 28 -4.903 1.764 -1.194 1.00 0.00 ATOM 223 N THR A 29 -4.305 0.930 -2.043 1.00 0.00 ATOM 224 CA THR A 29 -3.392 1.411 -3.081 1.00 0.00 ATOM 225 CB THR A 29 -2.816 0.248 -3.910 1.00 0.00 ATOM 226 CG2 THR A 29 -1.903 0.777 -5.005 1.00 0.00 ATOM 227 OG1 THR A 29 -2.064 -0.623 -3.057 1.00 0.00 ATOM 228 O THR A 29 -3.478 3.373 -4.454 1.00 0.00 ATOM 229 C THR A 29 -4.075 2.369 -4.061 1.00 0.00 ATOM 230 N ARG A 30 -5.315 2.073 -4.467 1.00 0.00 ATOM 231 CA ARG A 30 -6.036 2.964 -5.394 1.00 0.00 ATOM 232 CB ARG A 30 -7.414 2.387 -5.726 1.00 0.00 ATOM 233 CG ARG A 30 -7.371 1.147 -6.605 1.00 0.00 ATOM 234 CD ARG A 30 -8.765 0.587 -6.835 1.00 0.00 ATOM 235 NE ARG A 30 -8.740 -0.623 -7.656 1.00 0.00 ATOM 236 CZ ARG A 30 -9.814 -1.350 -7.946 1.00 0.00 ATOM 237 NH1 ARG A 30 -9.695 -2.435 -8.699 1.00 0.00 ATOM 238 NH2 ARG A 30 -11.003 -0.993 -7.481 1.00 0.00 ATOM 239 O ARG A 30 -6.051 5.373 -5.403 1.00 0.00 ATOM 240 C ARG A 30 -6.217 4.338 -4.762 1.00 0.00 ATOM 241 N PHE A 31 -6.603 4.333 -3.497 1.00 0.00 ATOM 242 CA PHE A 31 -6.810 5.563 -2.764 1.00 0.00 ATOM 243 CB PHE A 31 -7.350 5.267 -1.363 1.00 0.00 ATOM 244 CG PHE A 31 -7.586 6.496 -0.532 1.00 0.00 ATOM 245 CD1 PHE A 31 -8.713 7.272 -0.721 1.00 0.00 ATOM 246 CD2 PHE A 31 -6.675 6.878 0.440 1.00 0.00 ATOM 247 CE1 PHE A 31 -8.930 8.401 0.043 1.00 0.00 ATOM 248 CE2 PHE A 31 -6.891 8.008 1.204 1.00 0.00 ATOM 249 CZ PHE A 31 -8.012 8.770 1.010 1.00 0.00 ATOM 250 O PHE A 31 -5.456 7.559 -2.763 1.00 0.00 ATOM 251 C PHE A 31 -5.491 6.335 -2.616 1.00 0.00 ATOM 252 N LEU A 32 -4.407 5.628 -2.325 1.00 0.00 ATOM 253 CA LEU A 32 -3.104 6.294 -2.174 1.00 0.00 ATOM 254 CB LEU A 32 -2.026 5.280 -1.786 1.00 0.00 ATOM 255 CG LEU A 32 -2.127 4.691 -0.378 1.00 0.00 ATOM 256 CD1 LEU A 32 -1.112 3.573 -0.189 1.00 0.00 ATOM 257 CD2 LEU A 32 -1.860 5.758 0.673 1.00 0.00 ATOM 258 O LEU A 32 -2.189 8.108 -3.436 1.00 0.00 ATOM 259 C LEU A 32 -2.691 6.985 -3.465 1.00 0.00 ATOM 260 N LYS A 33 -2.905 6.321 -4.592 1.00 0.00 ATOM 261 CA LYS A 33 -2.563 6.907 -5.881 1.00 0.00 ATOM 262 CB LYS A 33 -2.849 5.924 -7.018 1.00 0.00 ATOM 263 CG LYS A 33 -2.432 6.425 -8.391 1.00 0.00 ATOM 264 CD LYS A 33 -2.659 5.366 -9.457 1.00 0.00 ATOM 265 CE LYS A 33 -2.266 5.875 -10.834 1.00 0.00 ATOM 266 NZ LYS A 33 -2.503 4.856 -11.892 1.00 0.00 ATOM 267 O LYS A 33 -2.904 9.178 -6.594 1.00 0.00 ATOM 268 C LYS A 33 -3.397 8.166 -6.089 1.00 0.00 ATOM 269 N THR A 34 -4.653 8.087 -5.683 1.00 0.00 ATOM 270 CA THR A 34 -5.553 9.227 -5.814 1.00 0.00 ATOM 271 CB THR A 34 -6.954 8.918 -5.347 1.00 0.00 ATOM 272 CG2 THR A 34 -7.902 10.054 -5.715 1.00 0.00 ATOM 273 OG1 THR A 34 -7.392 7.724 -6.007 1.00 0.00 ATOM 274 O THR A 34 -5.126 11.567 -5.432 1.00 0.00 ATOM 275 C THR A 34 -5.033 10.414 -5.001 1.00 0.00 ATOM 276 N GLU A 35 -4.461 10.113 -3.842 1.00 0.00 ATOM 277 CA GLU A 35 -3.905 11.124 -2.949 1.00 0.00 ATOM 278 CB GLU A 35 -4.326 10.582 -1.408 1.00 0.00 ATOM 279 CG GLU A 35 -4.336 11.559 -0.247 1.00 0.00 ATOM 280 CD GLU A 35 -5.624 12.340 -0.199 1.00 0.00 ATOM 281 OE1 GLU A 35 -6.704 11.744 0.135 1.00 0.00 ATOM 282 OE2 GLU A 35 -5.579 13.537 -0.529 1.00 0.00 ATOM 283 O GLU A 35 -1.757 12.053 -2.445 1.00 0.00 ATOM 284 C GLU A 35 -2.425 11.400 -3.234 1.00 0.00 ATOM 285 N PHE A 36 -1.913 10.872 -4.343 1.00 0.00 ATOM 286 CA PHE A 36 -0.519 11.083 -4.746 1.00 0.00 ATOM 287 CB PHE A 36 -0.189 12.575 -4.818 1.00 0.00 ATOM 288 CG PHE A 36 -1.042 13.336 -5.792 1.00 0.00 ATOM 289 CD1 PHE A 36 -2.111 14.097 -5.350 1.00 0.00 ATOM 290 CD2 PHE A 36 -0.776 13.293 -7.150 1.00 0.00 ATOM 291 CE1 PHE A 36 -2.895 14.801 -6.247 1.00 0.00 ATOM 292 CE2 PHE A 36 -1.560 13.994 -8.045 1.00 0.00 ATOM 293 CZ PHE A 36 -2.616 14.745 -7.600 1.00 0.00 ATOM 294 O PHE A 36 1.704 11.040 -3.820 1.00 0.00 ATOM 295 C PHE A 36 0.594 10.506 -3.856 1.00 0.00 ATOM 296 N SER A 37 0.323 9.421 -3.142 1.00 0.00 ATOM 297 CA SER A 37 1.363 8.824 -2.316 1.00 0.00 ATOM 298 CB SER A 37 1.104 9.101 -0.834 1.00 0.00 ATOM 299 OG SER A 37 -0.203 8.700 -0.460 1.00 0.00 ATOM 300 O SER A 37 1.550 6.528 -1.618 1.00 0.00 ATOM 301 C SER A 37 1.376 7.315 -2.549 1.00 0.00 ATOM 302 N GLU A 38 1.211 6.931 -3.810 1.00 0.00 ATOM 303 CA GLU A 38 1.174 5.524 -4.165 1.00 0.00 ATOM 304 CB GLU A 38 0.926 5.356 -5.665 1.00 0.00 ATOM 305 CG GLU A 38 0.810 3.908 -6.117 1.00 0.00 ATOM 306 CD GLU A 38 0.507 3.784 -7.597 1.00 0.00 ATOM 307 OE1 GLU A 38 0.368 4.830 -8.266 1.00 0.00 ATOM 308 OE2 GLU A 38 0.409 2.640 -8.088 1.00 0.00 ATOM 309 O GLU A 38 2.312 3.520 -3.500 1.00 0.00 ATOM 310 C GLU A 38 2.418 4.686 -3.921 1.00 0.00 ATOM 311 N GLU A 39 3.590 5.278 -4.128 1.00 0.00 ATOM 312 CA GLU A 39 4.849 4.556 -3.954 1.00 0.00 ATOM 313 CB GLU A 39 6.006 5.359 -4.538 1.00 0.00 ATOM 314 CG GLU A 39 5.944 5.487 -6.015 1.00 0.00 ATOM 315 CD GLU A 39 6.797 6.482 -6.688 1.00 0.00 ATOM 316 OE1 GLU A 39 7.136 7.451 -5.987 1.00 0.00 ATOM 317 OE2 GLU A 39 7.130 6.376 -7.879 1.00 0.00 ATOM 318 O GLU A 39 5.989 3.259 -2.282 1.00 0.00 ATOM 319 C GLU A 39 5.149 4.129 -2.513 1.00 0.00 ATOM 320 N ASN A 40 4.466 4.733 -1.565 1.00 0.00 ATOM 321 CA ASN A 40 4.649 4.430 -0.143 1.00 0.00 ATOM 322 CB ASN A 40 3.670 5.242 0.707 1.00 0.00 ATOM 323 CG ASN A 40 4.054 6.706 0.799 1.00 0.00 ATOM 324 ND2 ASN A 40 3.109 7.540 1.218 1.00 0.00 ATOM 325 OD1 ASN A 40 5.188 7.081 0.497 1.00 0.00 ATOM 326 O ASN A 40 5.179 2.219 0.685 1.00 0.00 ATOM 327 C ASN A 40 4.386 2.935 0.086 1.00 0.00 ATOM 328 N ILE A 41 3.239 2.474 -0.420 1.00 0.00 ATOM 329 CA ILE A 41 2.847 1.084 -0.272 1.00 0.00 ATOM 330 CB ILE A 41 1.378 0.856 -0.702 1.00 0.00 ATOM 331 CG1 ILE A 41 0.446 1.700 0.172 1.00 0.00 ATOM 332 CG2 ILE A 41 1.010 -0.615 -0.561 1.00 0.00 ATOM 333 CD1 ILE A 41 0.633 1.464 1.653 1.00 0.00 ATOM 334 O ILE A 41 4.043 -0.968 -0.611 1.00 0.00 ATOM 335 C ILE A 41 3.753 0.135 -1.063 1.00 0.00 ATOM 336 N GLU A 42 4.202 0.564 -2.240 1.00 0.00 ATOM 337 CA GLU A 42 5.101 -0.274 -3.025 1.00 0.00 ATOM 338 CB GLU A 42 5.447 0.407 -4.351 1.00 0.00 ATOM 339 CG GLU A 42 4.288 0.486 -5.329 1.00 0.00 ATOM 340 CD GLU A 42 4.632 1.274 -6.578 1.00 0.00 ATOM 341 OE1 GLU A 42 5.752 1.820 -6.645 1.00 0.00 ATOM 342 OE2 GLU A 42 3.781 1.345 -7.489 1.00 0.00 ATOM 343 O GLU A 42 6.880 -1.626 -2.152 1.00 0.00 ATOM 344 C GLU A 42 6.379 -0.503 -2.225 1.00 0.00 ATOM 345 N PHE A 43 6.872 0.545 -1.591 1.00 0.00 ATOM 346 CA PHE A 43 8.083 0.467 -0.780 1.00 0.00 ATOM 347 CB PHE A 43 8.452 1.856 -0.254 1.00 0.00 ATOM 348 CG PHE A 43 9.661 1.867 0.636 1.00 0.00 ATOM 349 CD1 PHE A 43 10.936 1.824 0.096 1.00 0.00 ATOM 350 CD2 PHE A 43 9.526 1.917 2.011 1.00 0.00 ATOM 351 CE1 PHE A 43 12.049 1.833 0.914 1.00 0.00 ATOM 352 CE2 PHE A 43 10.640 1.926 2.830 1.00 0.00 ATOM 353 CZ PHE A 43 11.897 1.885 2.287 1.00 0.00 ATOM 354 O PHE A 43 8.752 -1.212 0.771 1.00 0.00 ATOM 355 C PHE A 43 7.871 -0.431 0.428 1.00 0.00 ATOM 356 N TRP A 44 6.709 -0.307 1.083 1.00 0.00 ATOM 357 CA TRP A 44 6.445 -1.140 2.250 1.00 0.00 ATOM 358 CB TRP A 44 5.058 -0.823 2.813 1.00 0.00 ATOM 359 CG TRP A 44 4.697 -1.641 4.015 1.00 0.00 ATOM 360 CD1 TRP A 44 5.013 -1.371 5.315 1.00 0.00 ATOM 361 CD2 TRP A 44 3.952 -2.866 4.027 1.00 0.00 ATOM 362 CE2 TRP A 44 3.854 -3.280 5.370 1.00 0.00 ATOM 363 CE3 TRP A 44 3.357 -3.650 3.035 1.00 0.00 ATOM 364 NE1 TRP A 44 4.511 -2.351 6.138 1.00 0.00 ATOM 365 CZ2 TRP A 44 3.186 -4.445 5.745 1.00 0.00 ATOM 366 CZ3 TRP A 44 2.697 -4.804 3.412 1.00 0.00 ATOM 367 CH2 TRP A 44 2.613 -5.192 4.753 1.00 0.00 ATOM 368 O TRP A 44 7.045 -3.466 2.575 1.00 0.00 ATOM 369 C TRP A 44 6.475 -2.630 1.861 1.00 0.00 ATOM 370 N ILE A 45 5.892 -2.955 0.720 1.00 0.00 ATOM 371 CA ILE A 45 5.832 -4.354 0.283 1.00 0.00 ATOM 372 CB ILE A 45 4.945 -4.523 -0.965 1.00 0.00 ATOM 373 CG1 ILE A 45 3.476 -4.287 -0.610 1.00 0.00 ATOM 374 CG2 ILE A 45 5.084 -5.927 -1.532 1.00 0.00 ATOM 375 CD1 ILE A 45 2.568 -4.170 -1.815 1.00 0.00 ATOM 376 O ILE A 45 7.525 -6.067 0.155 1.00 0.00 ATOM 377 C ILE A 45 7.213 -4.897 -0.096 1.00 0.00 ATOM 378 N ALA A 46 8.047 -4.054 -0.702 1.00 0.00 ATOM 379 CA ALA A 46 9.391 -4.492 -1.092 1.00 0.00 ATOM 380 CB ALA A 46 10.168 -3.453 -1.773 1.00 0.00 ATOM 381 O ALA A 46 10.943 -5.761 0.219 1.00 0.00 ATOM 382 C ALA A 46 10.183 -4.799 0.173 1.00 0.00 ATOM 383 N CYS A 47 9.998 -3.975 1.202 1.00 0.00 ATOM 384 CA CYS A 47 10.699 -4.175 2.467 1.00 0.00 ATOM 385 CB CYS A 47 10.479 -2.980 3.396 1.00 0.00 ATOM 386 SG CYS A 47 11.301 -1.460 2.865 1.00 0.00 ATOM 387 O CYS A 47 11.003 -6.162 3.781 1.00 0.00 ATOM 388 C CYS A 47 10.212 -5.445 3.162 1.00 0.00 ATOM 389 N GLU A 48 8.917 -5.719 3.054 1.00 0.00 ATOM 390 CA GLU A 48 8.352 -6.924 3.660 1.00 0.00 ATOM 391 CB GLU A 48 6.908 -7.090 3.396 1.00 0.00 ATOM 392 CG GLU A 48 6.216 -8.096 4.314 1.00 0.00 ATOM 393 CD GLU A 48 6.243 -7.678 5.779 1.00 0.00 ATOM 394 OE1 GLU A 48 6.037 -6.479 6.061 1.00 0.00 ATOM 395 OE2 GLU A 48 6.457 -8.550 6.647 1.00 0.00 ATOM 396 O GLU A 48 9.377 -9.098 3.663 1.00 0.00 ATOM 397 C GLU A 48 8.988 -8.141 2.994 1.00 0.00 ATOM 398 N ASP A 49 9.104 -8.090 1.670 1.00 0.00 ATOM 399 CA ASP A 49 9.717 -9.177 0.915 1.00 0.00 ATOM 400 CB ASP A 49 9.649 -8.890 -0.587 1.00 0.00 ATOM 401 CG ASP A 49 8.247 -9.035 -1.145 1.00 0.00 ATOM 402 OD1 ASP A 49 7.378 -9.581 -0.434 1.00 0.00 ATOM 403 OD2 ASP A 49 8.018 -8.601 -2.293 1.00 0.00 ATOM 404 O ASP A 49 11.672 -10.459 1.474 1.00 0.00 ATOM 405 C ASP A 49 11.188 -9.344 1.314 1.00 0.00 ATOM 406 N PHE A 50 11.914 -8.268 1.474 1.00 0.00 ATOM 407 CA PHE A 50 13.335 -8.275 1.875 1.00 0.00 ATOM 408 CB PHE A 50 13.837 -6.847 2.098 1.00 0.00 ATOM 409 CG PHE A 50 15.265 -6.771 2.557 1.00 0.00 ATOM 410 CD1 PHE A 50 16.305 -6.877 1.649 1.00 0.00 ATOM 411 CD2 PHE A 50 15.570 -6.593 3.894 1.00 0.00 ATOM 412 CE1 PHE A 50 17.619 -6.807 2.070 1.00 0.00 ATOM 413 CE2 PHE A 50 16.885 -6.522 4.315 1.00 0.00 ATOM 414 CZ PHE A 50 17.908 -6.629 3.410 1.00 0.00 ATOM 415 O PHE A 50 14.608 -9.724 3.279 1.00 0.00 ATOM 416 C PHE A 50 13.643 -9.001 3.185 1.00 0.00 ATOM 417 N LYS A 51 12.841 -8.765 4.163 1.00 0.00 ATOM 418 CA LYS A 51 13.063 -9.393 5.478 1.00 0.00 ATOM 419 CB LYS A 51 12.040 -8.704 6.470 1.00 0.00 ATOM 420 CG LYS A 51 12.124 -9.332 7.861 1.00 0.00 ATOM 421 CD LYS A 51 11.222 -8.702 8.872 1.00 0.00 ATOM 422 CE LYS A 51 11.451 -9.290 10.269 1.00 0.00 ATOM 423 NZ LYS A 51 10.395 -8.747 11.150 1.00 0.00 ATOM 424 O LYS A 51 13.726 -11.548 6.245 1.00 0.00 ATOM 425 C LYS A 51 13.017 -10.905 5.467 1.00 0.00 ATOM 426 N LYS A 52 12.208 -11.453 4.589 1.00 0.00 ATOM 427 CA LYS A 52 12.095 -12.905 4.485 1.00 0.00 ATOM 428 CB LYS A 52 10.892 -13.304 3.629 1.00 0.00 ATOM 429 CG LYS A 52 9.551 -12.877 4.206 1.00 0.00 ATOM 430 CD LYS A 52 8.406 -13.269 3.286 1.00 0.00 ATOM 431 CE LYS A 52 7.065 -12.852 3.868 1.00 0.00 ATOM 432 NZ LYS A 52 5.930 -13.254 2.991 1.00 0.00 ATOM 433 O LYS A 52 13.464 -14.768 3.879 1.00 0.00 ATOM 434 C LYS A 52 13.355 -13.565 3.876 1.00 0.00 ATOM 435 N SER A 53 14.263 -12.768 3.302 1.00 0.00 ATOM 436 CA SER A 53 15.432 -13.309 2.625 1.00 0.00 ATOM 437 CB SER A 53 16.084 -12.242 1.744 1.00 0.00 ATOM 438 OG SER A 53 17.286 -12.723 1.165 1.00 0.00 ATOM 439 O SER A 53 16.682 -13.024 4.589 1.00 0.00 ATOM 440 C SER A 53 16.407 -13.765 3.658 1.00 0.00 ATOM 441 N LYS A 54 16.928 -14.990 3.540 1.00 0.00 ATOM 442 CA LYS A 54 17.836 -15.573 4.548 1.00 0.00 ATOM 443 CB LYS A 54 17.484 -17.041 4.802 1.00 0.00 ATOM 444 CG LYS A 54 16.124 -17.250 5.448 1.00 0.00 ATOM 445 CD LYS A 54 15.847 -18.725 5.687 1.00 0.00 ATOM 446 CE LYS A 54 14.453 -18.940 6.256 1.00 0.00 ATOM 447 NZ LYS A 54 14.120 -20.386 6.374 1.00 0.00 ATOM 448 O LYS A 54 20.148 -15.517 5.060 1.00 0.00 ATOM 449 C LYS A 54 19.303 -15.556 4.182 1.00 0.00 ATOM 450 N GLY A 55 19.609 -15.645 2.886 1.00 0.00 ATOM 451 CA GLY A 55 21.026 -15.650 2.429 1.00 0.00 ATOM 452 O GLY A 55 21.099 -13.276 2.237 1.00 0.00 ATOM 453 C GLY A 55 21.679 -14.293 2.611 1.00 0.00 ATOM 454 N PRO A 56 22.916 -14.271 3.095 1.00 0.00 ATOM 455 CA PRO A 56 23.621 -12.978 3.296 1.00 0.00 ATOM 456 CB PRO A 56 24.964 -13.381 3.907 1.00 0.00 ATOM 457 CG PRO A 56 24.681 -14.659 4.621 1.00 0.00 ATOM 458 CD PRO A 56 23.711 -15.413 3.756 1.00 0.00 ATOM 459 O PRO A 56 23.618 -11.007 1.930 1.00 0.00 ATOM 460 C PRO A 56 23.834 -12.217 1.992 1.00 0.00 ATOM 461 N GLN A 57 24.256 -12.917 0.931 1.00 0.00 ATOM 462 CA GLN A 57 24.505 -12.254 -0.340 1.00 0.00 ATOM 463 CB GLN A 57 25.145 -13.224 -1.333 1.00 0.00 ATOM 464 CG GLN A 57 26.578 -13.603 -0.997 1.00 0.00 ATOM 465 CD GLN A 57 27.140 -14.649 -1.939 1.00 0.00 ATOM 466 OE1 GLN A 57 26.429 -15.175 -2.795 1.00 0.00 ATOM 467 NE2 GLN A 57 28.425 -14.955 -1.785 1.00 0.00 ATOM 468 O GLN A 57 23.275 -10.526 -1.473 1.00 0.00 ATOM 469 C GLN A 57 23.257 -11.655 -0.983 1.00 0.00 ATOM 470 N GLN A 58 22.129 -12.384 -0.978 1.00 0.00 ATOM 471 CA GLN A 58 20.854 -11.925 -1.518 1.00 0.00 ATOM 472 CB GLN A 58 19.810 -13.042 -1.558 1.00 0.00 ATOM 473 CG GLN A 58 20.124 -14.149 -2.552 1.00 0.00 ATOM 474 CD GLN A 58 19.101 -15.269 -2.519 1.00 0.00 ATOM 475 OE1 GLN A 58 18.165 -15.244 -1.720 1.00 0.00 ATOM 476 NE2 GLN A 58 19.278 -16.256 -3.390 1.00 0.00 ATOM 477 O GLN A 58 19.795 -9.798 -1.210 1.00 0.00 ATOM 478 C GLN A 58 20.368 -10.753 -0.683 1.00 0.00 ATOM 479 N ILE A 59 20.597 -10.845 0.612 1.00 0.00 ATOM 480 CA ILE A 59 20.172 -9.769 1.496 1.00 0.00 ATOM 481 CB ILE A 59 20.389 -10.149 3.005 1.00 0.00 ATOM 482 CG1 ILE A 59 19.370 -11.219 3.422 1.00 0.00 ATOM 483 CG2 ILE A 59 20.268 -8.925 3.899 1.00 0.00 ATOM 484 CD1 ILE A 59 19.563 -11.781 4.830 1.00 0.00 ATOM 485 O ILE A 59 20.312 -7.434 0.961 1.00 0.00 ATOM 486 C ILE A 59 20.925 -8.487 1.136 1.00 0.00 ATOM 487 N HIS A 60 22.232 -8.591 0.941 1.00 0.00 ATOM 488 CA HIS A 60 23.058 -7.421 0.581 1.00 0.00 ATOM 489 CB HIS A 60 24.529 -7.818 0.454 1.00 0.00 ATOM 490 CG HIS A 60 25.415 -6.711 -0.028 1.00 0.00 ATOM 491 CD2 HIS A 60 26.092 -6.393 -1.276 1.00 0.00 ATOM 492 ND1 HIS A 60 25.783 -5.651 0.771 1.00 0.00 ATOM 493 CE1 HIS A 60 26.576 -4.826 0.065 1.00 0.00 ATOM 494 NE2 HIS A 60 26.766 -5.264 -1.164 1.00 0.00 ATOM 495 O HIS A 60 22.475 -5.616 -0.870 1.00 0.00 ATOM 496 C HIS A 60 22.641 -6.849 -0.752 1.00 0.00 ATOM 497 N LEU A 61 22.410 -7.717 -1.725 1.00 0.00 ATOM 498 CA LEU A 61 21.992 -7.270 -3.089 1.00 0.00 ATOM 499 CB LEU A 61 21.894 -8.468 -4.038 1.00 0.00 ATOM 500 CG LEU A 61 21.458 -8.161 -5.472 1.00 0.00 ATOM 501 CD1 LEU A 61 22.455 -7.236 -6.151 1.00 0.00 ATOM 502 CD2 LEU A 61 21.363 -9.440 -6.289 1.00 0.00 ATOM 503 O LEU A 61 20.469 -5.462 -3.636 1.00 0.00 ATOM 504 C LEU A 61 20.614 -6.565 -3.111 1.00 0.00 ATOM 505 N LYS A 62 19.618 -7.153 -2.460 1.00 0.00 ATOM 506 CA LYS A 62 18.314 -6.517 -2.343 1.00 0.00 ATOM 507 CB LYS A 62 17.341 -7.424 -1.586 1.00 0.00 ATOM 508 CG LYS A 62 16.915 -8.661 -2.360 1.00 0.00 ATOM 509 CD LYS A 62 15.951 -9.513 -1.552 1.00 0.00 ATOM 510 CE LYS A 62 15.542 -10.762 -2.317 1.00 0.00 ATOM 511 NZ LYS A 62 14.623 -11.624 -1.522 1.00 0.00 ATOM 512 O LYS A 62 17.596 -4.266 -1.966 1.00 0.00 ATOM 513 C LYS A 62 18.323 -5.185 -1.600 1.00 0.00 ATOM 514 N ALA A 63 19.156 -5.071 -0.571 1.00 0.00 ATOM 515 CA ALA A 63 19.228 -3.832 0.191 1.00 0.00 ATOM 516 CB ALA A 63 20.146 -4.002 1.398 1.00 0.00 ATOM 517 O ALA A 63 19.092 -1.583 -0.698 1.00 0.00 ATOM 518 C ALA A 63 19.674 -2.677 -0.709 1.00 0.00 ATOM 519 N LYS A 64 20.707 -2.907 -1.504 1.00 0.00 ATOM 520 CA LYS A 64 21.201 -1.880 -2.410 1.00 0.00 ATOM 521 CB LYS A 64 22.465 -2.352 -3.131 1.00 0.00 ATOM 522 CG LYS A 64 23.088 -1.307 -4.041 1.00 0.00 ATOM 523 CD LYS A 64 24.387 -1.809 -4.650 1.00 0.00 ATOM 524 CE LYS A 64 24.997 -0.772 -5.579 1.00 0.00 ATOM 525 NZ LYS A 64 26.261 -1.258 -6.199 1.00 0.00 ATOM 526 O LYS A 64 19.965 -0.356 -3.796 1.00 0.00 ATOM 527 C LYS A 64 20.146 -1.527 -3.454 1.00 0.00 ATOM 528 N ALA A 65 19.444 -2.535 -3.963 1.00 0.00 ATOM 529 CA ALA A 65 18.408 -2.312 -4.962 1.00 0.00 ATOM 530 CB ALA A 65 17.806 -3.639 -5.396 1.00 0.00 ATOM 531 O ALA A 65 16.818 -0.512 -5.067 1.00 0.00 ATOM 532 C ALA A 65 17.289 -1.434 -4.399 1.00 0.00 ATOM 533 N ILE A 66 16.870 -1.730 -3.174 1.00 0.00 ATOM 534 CA ILE A 66 15.808 -0.936 -2.561 1.00 0.00 ATOM 535 CB ILE A 66 15.344 -1.639 -1.255 1.00 0.00 ATOM 536 CG1 ILE A 66 14.564 -2.897 -1.554 1.00 0.00 ATOM 537 CG2 ILE A 66 14.515 -0.655 -0.425 1.00 0.00 ATOM 538 CD1 ILE A 66 14.295 -3.762 -0.373 1.00 0.00 ATOM 539 O ILE A 66 15.517 1.442 -2.582 1.00 0.00 ATOM 540 C ILE A 66 16.269 0.501 -2.341 1.00 0.00 ATOM 541 N TYR A 67 17.501 0.673 -1.883 1.00 0.00 ATOM 542 CA TYR A 67 18.022 2.017 -1.653 1.00 0.00 ATOM 543 CB TYR A 67 19.427 2.054 -1.228 1.00 0.00 ATOM 544 CG TYR A 67 19.926 3.443 -0.937 1.00 0.00 ATOM 545 CD1 TYR A 67 19.324 4.235 0.045 1.00 0.00 ATOM 546 CD2 TYR A 67 21.037 3.954 -1.604 1.00 0.00 ATOM 547 CE1 TYR A 67 19.817 5.500 0.349 1.00 0.00 ATOM 548 CE2 TYR A 67 21.537 5.217 -1.303 1.00 0.00 ATOM 549 CZ TYR A 67 20.924 5.979 -0.322 1.00 0.00 ATOM 550 OH TYR A 67 21.433 7.207 0.006 1.00 0.00 ATOM 551 O TYR A 67 17.483 3.904 -3.048 1.00 0.00 ATOM 552 C TYR A 67 18.001 2.794 -2.975 1.00 0.00 ATOM 553 N GLU A 68 18.482 2.165 -4.038 1.00 0.00 ATOM 554 CA GLU A 68 18.518 2.820 -5.341 1.00 0.00 ATOM 555 CB GLU A 68 19.487 1.975 -6.204 1.00 0.00 ATOM 556 CG GLU A 68 19.645 2.444 -7.646 1.00 0.00 ATOM 557 CD GLU A 68 20.671 1.572 -8.358 1.00 0.00 ATOM 558 OE1 GLU A 68 20.587 0.321 -8.279 1.00 0.00 ATOM 559 OE2 GLU A 68 21.567 2.181 -8.978 1.00 0.00 ATOM 560 O GLU A 68 16.981 4.049 -6.702 1.00 0.00 ATOM 561 C GLU A 68 17.143 3.086 -5.959 1.00 0.00 ATOM 562 N LYS A 69 16.050 2.209 -5.676 1.00 0.00 ATOM 563 CA LYS A 69 14.707 2.377 -6.234 1.00 0.00 ATOM 564 CB LYS A 69 13.956 1.043 -6.203 1.00 0.00 ATOM 565 CG LYS A 69 14.482 0.011 -7.186 1.00 0.00 ATOM 566 CD LYS A 69 13.657 -1.264 -7.144 1.00 0.00 ATOM 567 CE LYS A 69 14.196 -2.303 -8.113 1.00 0.00 ATOM 568 NZ LYS A 69 13.405 -3.564 -8.072 1.00 0.00 ATOM 569 O LYS A 69 12.959 4.007 -6.246 1.00 0.00 ATOM 570 C LYS A 69 13.729 3.337 -5.560 1.00 0.00 ATOM 571 N PHE A 70 13.724 3.365 -4.226 1.00 0.00 ATOM 572 CA PHE A 70 12.791 4.219 -3.480 1.00 0.00 ATOM 573 CB PHE A 70 12.007 3.308 -2.471 1.00 0.00 ATOM 574 CG PHE A 70 11.182 2.228 -3.102 1.00 0.00 ATOM 575 CD1 PHE A 70 10.137 2.547 -3.965 1.00 0.00 ATOM 576 CD2 PHE A 70 11.447 0.890 -2.834 1.00 0.00 ATOM 577 CE1 PHE A 70 9.367 1.545 -4.551 1.00 0.00 ATOM 578 CE2 PHE A 70 10.683 -0.121 -3.415 1.00 0.00 ATOM 579 CZ PHE A 70 9.641 0.209 -4.273 1.00 0.00 ATOM 580 O PHE A 70 12.713 6.369 -2.426 1.00 0.00 ATOM 581 C PHE A 70 13.371 5.351 -2.635 1.00 0.00 ATOM 582 N ILE A 71 14.589 5.191 -2.141 1.00 0.00 ATOM 583 CA ILE A 71 15.142 6.202 -1.240 1.00 0.00 ATOM 584 CB ILE A 71 15.777 5.569 0.011 1.00 0.00 ATOM 585 CG1 ILE A 71 14.705 4.890 0.867 1.00 0.00 ATOM 586 CG2 ILE A 71 16.467 6.631 0.854 1.00 0.00 ATOM 587 CD1 ILE A 71 15.266 4.048 1.991 1.00 0.00 ATOM 588 O ILE A 71 16.307 8.287 -1.267 1.00 0.00 ATOM 589 C ILE A 71 16.235 7.150 -1.728 1.00 0.00 ATOM 590 N GLN A 72 17.081 6.702 -2.648 1.00 0.00 ATOM 591 CA GLN A 72 18.177 7.544 -3.135 1.00 0.00 ATOM 592 CB GLN A 72 19.064 6.759 -4.103 1.00 0.00 ATOM 593 CG GLN A 72 20.272 7.533 -4.604 1.00 0.00 ATOM 594 CD GLN A 72 21.160 6.704 -5.511 1.00 0.00 ATOM 595 OE1 GLN A 72 20.927 5.511 -5.703 1.00 0.00 ATOM 596 NE2 GLN A 72 22.186 7.335 -6.072 1.00 0.00 ATOM 597 O GLN A 72 16.664 8.924 -4.405 1.00 0.00 ATOM 598 C GLN A 72 17.774 8.819 -3.880 1.00 0.00 ATOM 599 N THR A 73 18.642 9.850 -3.847 1.00 0.00 ATOM 600 CA THR A 73 18.345 11.109 -4.538 1.00 0.00 ATOM 601 CB THR A 73 19.556 12.060 -4.522 1.00 0.00 ATOM 602 CG2 THR A 73 19.210 13.375 -5.206 1.00 0.00 ATOM 603 OG1 THR A 73 19.938 12.328 -3.167 1.00 0.00 ATOM 604 O THR A 73 18.661 10.046 -6.658 1.00 0.00 ATOM 605 C THR A 73 17.968 10.799 -5.983 1.00 0.00 ATOM 606 N ASP A 74 16.863 11.368 -6.444 1.00 0.00 ATOM 607 CA ASP A 74 16.423 11.129 -7.805 1.00 0.00 ATOM 608 CB ASP A 74 17.524 11.544 -8.785 1.00 0.00 ATOM 609 CG ASP A 74 17.827 13.028 -8.724 1.00 0.00 ATOM 610 OD1 ASP A 74 16.877 13.834 -8.807 1.00 0.00 ATOM 611 OD2 ASP A 74 19.016 13.387 -8.591 1.00 0.00 ATOM 612 O ASP A 74 16.183 9.253 -9.288 1.00 0.00 ATOM 613 C ASP A 74 16.088 9.694 -8.123 1.00 0.00 ATOM 614 N ALA A 75 15.711 8.943 -7.085 1.00 0.00 ATOM 615 CA ALA A 75 15.304 7.561 -7.265 1.00 0.00 ATOM 616 CB ALA A 75 15.001 6.917 -5.922 1.00 0.00 ATOM 617 O ALA A 75 13.213 8.438 -8.040 1.00 0.00 ATOM 618 C ALA A 75 14.048 7.547 -8.138 1.00 0.00 ATOM 619 N PRO A 76 13.908 6.531 -8.981 1.00 0.00 ATOM 620 CA PRO A 76 12.747 6.433 -9.869 1.00 0.00 ATOM 621 CB PRO A 76 12.972 5.127 -10.631 1.00 0.00 ATOM 622 CG PRO A 76 14.455 4.973 -10.680 1.00 0.00 ATOM 623 CD PRO A 76 14.966 5.427 -9.341 1.00 0.00 ATOM 624 O PRO A 76 10.422 7.037 -9.571 1.00 0.00 ATOM 625 C PRO A 76 11.395 6.390 -9.176 1.00 0.00 ATOM 626 N LYS A 77 11.334 5.387 -8.168 1.00 0.00 ATOM 627 CA LYS A 77 10.117 5.236 -7.368 1.00 0.00 ATOM 628 CB LYS A 77 9.322 4.037 -7.944 1.00 0.00 ATOM 629 CG LYS A 77 9.008 4.091 -9.449 1.00 0.00 ATOM 630 CD LYS A 77 8.372 2.737 -9.727 1.00 0.00 ATOM 631 CE LYS A 77 8.154 2.447 -11.167 1.00 0.00 ATOM 632 NZ LYS A 77 7.157 1.298 -11.206 1.00 0.00 ATOM 633 O LYS A 77 11.385 5.035 -5.337 1.00 0.00 ATOM 634 C LYS A 77 10.754 5.773 -6.094 1.00 0.00 ATOM 635 N GLU A 78 10.696 7.141 -5.997 1.00 0.00 ATOM 636 CA GLU A 78 11.269 7.822 -4.840 1.00 0.00 ATOM 637 CB GLU A 78 12.011 9.086 -5.278 1.00 0.00 ATOM 638 CG GLU A 78 12.644 9.862 -4.135 1.00 0.00 ATOM 639 CD GLU A 78 13.348 11.120 -4.602 1.00 0.00 ATOM 640 OE1 GLU A 78 13.356 11.376 -5.825 1.00 0.00 ATOM 641 OE2 GLU A 78 13.891 11.850 -3.746 1.00 0.00 ATOM 642 O GLU A 78 9.133 8.743 -4.315 1.00 0.00 ATOM 643 C GLU A 78 10.154 8.210 -3.892 1.00 0.00 ATOM 644 N VAL A 79 10.328 7.868 -2.611 1.00 0.00 ATOM 645 CA VAL A 79 9.394 8.265 -1.564 1.00 0.00 ATOM 646 CB VAL A 79 8.656 7.045 -0.984 1.00 0.00 ATOM 647 CG1 VAL A 79 7.820 6.368 -2.060 1.00 0.00 ATOM 648 CG2 VAL A 79 9.650 6.030 -0.439 1.00 0.00 ATOM 649 O VAL A 79 11.457 8.783 -0.495 1.00 0.00 ATOM 650 C VAL A 79 10.247 8.961 -0.520 1.00 0.00 ATOM 651 N ASN A 80 9.632 9.812 0.284 1.00 0.00 ATOM 652 CA ASN A 80 10.367 10.556 1.297 1.00 0.00 ATOM 653 CB ASN A 80 9.848 11.992 1.411 1.00 0.00 ATOM 654 CG ASN A 80 10.173 12.826 0.188 1.00 0.00 ATOM 655 ND2 ASN A 80 9.355 13.842 -0.068 1.00 0.00 ATOM 656 OD1 ASN A 80 11.145 12.560 -0.518 1.00 0.00 ATOM 657 O ASN A 80 9.118 9.641 3.106 1.00 0.00 ATOM 658 C ASN A 80 10.230 9.966 2.682 1.00 0.00 ATOM 659 N LEU A 81 11.326 9.839 3.395 1.00 0.00 ATOM 660 CA LEU A 81 11.317 9.390 4.779 1.00 0.00 ATOM 661 CB LEU A 81 12.051 8.052 4.887 1.00 0.00 ATOM 662 CG LEU A 81 11.470 6.892 4.078 1.00 0.00 ATOM 663 CD1 LEU A 81 12.388 5.681 4.138 1.00 0.00 ATOM 664 CD2 LEU A 81 10.110 6.485 4.621 1.00 0.00 ATOM 665 O LEU A 81 12.819 11.231 4.993 1.00 0.00 ATOM 666 C LEU A 81 12.030 10.481 5.569 1.00 0.00 ATOM 667 N ASP A 82 11.782 10.585 6.871 1.00 0.00 ATOM 668 CA ASP A 82 12.438 11.649 7.626 1.00 0.00 ATOM 669 CB ASP A 82 11.813 11.784 9.016 1.00 0.00 ATOM 670 CG ASP A 82 10.445 12.436 8.978 1.00 0.00 ATOM 671 OD1 ASP A 82 10.062 12.955 7.908 1.00 0.00 ATOM 672 OD2 ASP A 82 9.755 12.429 10.021 1.00 0.00 ATOM 673 O ASP A 82 14.468 10.360 7.578 1.00 0.00 ATOM 674 C ASP A 82 13.932 11.440 7.834 1.00 0.00 ATOM 675 N PHE A 83 14.591 12.500 8.301 1.00 0.00 ATOM 676 CA PHE A 83 16.025 12.480 8.528 1.00 0.00 ATOM 677 CB PHE A 83 16.485 13.794 9.163 1.00 0.00 ATOM 678 CG PHE A 83 17.953 13.834 9.482 1.00 0.00 ATOM 679 CD1 PHE A 83 18.882 14.112 8.496 1.00 0.00 ATOM 680 CD2 PHE A 83 18.403 13.591 10.770 1.00 0.00 ATOM 681 CE1 PHE A 83 20.233 14.147 8.790 1.00 0.00 ATOM 682 CE2 PHE A 83 19.753 13.626 11.062 1.00 0.00 ATOM 683 CZ PHE A 83 20.667 13.902 10.079 1.00 0.00 ATOM 684 O PHE A 83 17.539 10.739 9.101 1.00 0.00 ATOM 685 C PHE A 83 16.567 11.405 9.445 1.00 0.00 ATOM 686 N HIS A 84 15.962 11.247 10.617 1.00 0.00 ATOM 687 CA HIS A 84 16.406 10.242 11.574 1.00 0.00 ATOM 688 CB HIS A 84 15.610 10.142 12.773 1.00 0.00 ATOM 689 CG HIS A 84 15.943 11.261 13.709 1.00 0.00 ATOM 690 CD2 HIS A 84 15.253 12.371 14.060 1.00 0.00 ATOM 691 ND1 HIS A 84 17.178 11.371 14.308 1.00 0.00 ATOM 692 CE1 HIS A 84 17.238 12.503 14.985 1.00 0.00 ATOM 693 NE2 HIS A 84 16.083 13.131 14.851 1.00 0.00 ATOM 694 O HIS A 84 17.232 8.029 11.117 1.00 0.00 ATOM 695 C HIS A 84 16.325 8.848 10.956 1.00 0.00 ATOM 696 N THR A 85 15.240 8.585 10.232 1.00 0.00 ATOM 697 CA THR A 85 15.051 7.288 9.590 1.00 0.00 ATOM 698 CB THR A 85 13.652 7.170 8.960 1.00 0.00 ATOM 699 CG2 THR A 85 13.498 5.831 8.252 1.00 0.00 ATOM 700 OG1 THR A 85 12.653 7.271 9.981 1.00 0.00 ATOM 701 O THR A 85 16.623 5.950 8.366 1.00 0.00 ATOM 702 C THR A 85 16.062 7.043 8.473 1.00 0.00 ATOM 703 N LYS A 86 16.286 8.050 7.633 1.00 0.00 ATOM 704 CA LYS A 86 17.240 7.916 6.529 1.00 0.00 ATOM 705 CB LYS A 86 17.226 9.176 5.677 1.00 0.00 ATOM 706 CG LYS A 86 15.989 9.253 4.793 1.00 0.00 ATOM 707 CD LYS A 86 15.670 10.616 4.179 1.00 0.00 ATOM 708 CE LYS A 86 14.674 10.493 3.023 1.00 0.00 ATOM 709 NZ LYS A 86 14.082 11.751 2.528 1.00 0.00 ATOM 710 O LYS A 86 19.407 6.884 6.487 1.00 0.00 ATOM 711 C LYS A 86 18.653 7.672 7.057 1.00 0.00 ATOM 712 N GLU A 87 18.992 8.345 8.158 1.00 0.00 ATOM 713 CA GLU A 87 20.315 8.184 8.764 1.00 0.00 ATOM 714 CB GLU A 87 20.432 9.089 9.992 1.00 0.00 ATOM 715 CG GLU A 87 21.782 9.020 10.687 1.00 0.00 ATOM 716 CD GLU A 87 21.873 9.954 11.878 1.00 0.00 ATOM 717 OE1 GLU A 87 20.883 10.665 12.152 1.00 0.00 ATOM 718 OE2 GLU A 87 22.933 9.976 12.538 1.00 0.00 ATOM 719 O GLU A 87 21.564 6.143 8.930 1.00 0.00 ATOM 720 C GLU A 87 20.524 6.743 9.204 1.00 0.00 ATOM 721 N VAL A 88 19.539 6.188 9.877 1.00 0.00 ATOM 722 CA VAL A 88 19.624 4.815 10.348 1.00 0.00 ATOM 723 CB VAL A 88 18.404 4.439 11.209 1.00 0.00 ATOM 724 CG1 VAL A 88 18.421 2.953 11.539 1.00 0.00 ATOM 725 CG2 VAL A 88 18.413 5.219 12.516 1.00 0.00 ATOM 726 O VAL A 88 20.488 2.920 9.148 1.00 0.00 ATOM 727 C VAL A 88 19.689 3.857 9.163 1.00 0.00 ATOM 728 N ILE A 89 18.872 4.118 8.145 1.00 0.00 ATOM 729 CA ILE A 89 18.848 3.277 6.955 1.00 0.00 ATOM 730 CB ILE A 89 17.764 3.736 5.962 1.00 0.00 ATOM 731 CG1 ILE A 89 16.374 3.587 6.582 1.00 0.00 ATOM 732 CG2 ILE A 89 17.817 2.900 4.693 1.00 0.00 ATOM 733 CD1 ILE A 89 16.012 2.161 6.933 1.00 0.00 ATOM 734 O ILE A 89 20.713 2.257 5.829 1.00 0.00 ATOM 735 C ILE A 89 20.184 3.300 6.209 1.00 0.00 ATOM 736 N THR A 90 20.733 4.488 6.001 1.00 0.00 ATOM 737 CA THR A 90 22.012 4.603 5.301 1.00 0.00 ATOM 738 CB THR A 90 22.404 6.074 5.076 1.00 0.00 ATOM 739 CG2 THR A 90 23.754 6.167 4.384 1.00 0.00 ATOM 740 OG1 THR A 90 21.418 6.714 4.258 1.00 0.00 ATOM 741 O THR A 90 23.944 3.205 5.532 1.00 0.00 ATOM 742 C THR A 90 23.129 3.930 6.098 1.00 0.00 ATOM 743 N ASN A 91 23.145 4.144 7.411 1.00 0.00 ATOM 744 CA ASN A 91 24.173 3.540 8.254 1.00 0.00 ATOM 745 CB ASN A 91 24.024 4.015 9.701 1.00 0.00 ATOM 746 CG ASN A 91 24.439 5.460 9.886 1.00 0.00 ATOM 747 ND2 ASN A 91 23.958 6.081 10.957 1.00 0.00 ATOM 748 OD1 ASN A 91 25.184 6.010 9.076 1.00 0.00 ATOM 749 O ASN A 91 25.016 1.308 8.145 1.00 0.00 ATOM 750 C ASN A 91 24.043 2.036 8.205 1.00 0.00 ATOM 751 N SER A 92 22.792 1.583 8.190 1.00 0.00 ATOM 752 CA SER A 92 22.545 0.141 8.160 1.00 0.00 ATOM 753 CB SER A 92 21.045 -0.176 8.503 1.00 0.00 ATOM 754 OG SER A 92 20.149 0.153 7.461 1.00 0.00 ATOM 755 O SER A 92 23.360 -1.659 6.831 1.00 0.00 ATOM 756 C SER A 92 22.943 -0.504 6.848 1.00 0.00 ATOM 757 N ILE A 93 22.814 0.229 5.749 1.00 0.00 ATOM 758 CA ILE A 93 23.137 -0.326 4.441 1.00 0.00 ATOM 759 CB ILE A 93 22.779 0.652 3.306 1.00 0.00 ATOM 760 CG1 ILE A 93 21.261 0.794 3.184 1.00 0.00 ATOM 761 CG2 ILE A 93 23.324 0.151 1.978 1.00 0.00 ATOM 762 CD1 ILE A 93 20.825 1.925 2.277 1.00 0.00 ATOM 763 O ILE A 93 24.986 -1.543 3.509 1.00 0.00 ATOM 764 C ILE A 93 24.625 -0.647 4.267 1.00 0.00 ATOM 765 N THR A 94 25.468 0.197 5.007 1.00 0.00 ATOM 766 CA THR A 94 26.906 -0.059 4.929 1.00 0.00 ATOM 767 CB THR A 94 27.690 0.803 5.936 1.00 0.00 ATOM 768 CG2 THR A 94 29.162 0.425 5.930 1.00 0.00 ATOM 769 OG1 THR A 94 27.565 2.187 5.583 1.00 0.00 ATOM 770 O THR A 94 28.055 -2.178 4.654 1.00 0.00 ATOM 771 C THR A 94 27.140 -1.560 5.215 1.00 0.00 ATOM 772 N GLN A 95 26.273 -2.152 5.984 1.00 0.00 ATOM 773 CA GLN A 95 26.390 -3.577 6.343 1.00 0.00 ATOM 774 CB GLN A 95 27.015 -3.680 7.736 1.00 0.00 ATOM 775 CG GLN A 95 28.336 -2.935 7.868 1.00 0.00 ATOM 776 CD GLN A 95 28.907 -3.023 9.263 1.00 0.00 ATOM 777 OE1 GLN A 95 28.199 -2.806 10.251 1.00 0.00 ATOM 778 NE2 GLN A 95 30.198 -3.343 9.357 1.00 0.00 ATOM 779 O GLN A 95 24.340 -4.296 7.377 1.00 0.00 ATOM 780 C GLN A 95 24.962 -4.126 6.327 1.00 0.00 ATOM 781 N PRO A 96 24.429 -4.414 5.132 1.00 0.00 ATOM 782 CA PRO A 96 23.071 -4.933 4.941 1.00 0.00 ATOM 783 CB PRO A 96 23.048 -5.301 3.457 1.00 0.00 ATOM 784 CG PRO A 96 24.030 -4.328 2.859 1.00 0.00 ATOM 785 CD PRO A 96 25.156 -4.355 3.860 1.00 0.00 ATOM 786 O PRO A 96 23.526 -7.188 5.639 1.00 0.00 ATOM 787 C PRO A 96 22.737 -6.241 5.644 1.00 0.00 ATOM 788 N THR A 97 21.535 -6.301 6.194 1.00 0.00 ATOM 789 CA THR A 97 21.057 -7.488 6.886 1.00 0.00 ATOM 790 CB THR A 97 21.224 -7.336 8.381 1.00 0.00 ATOM 791 CG2 THR A 97 22.690 -7.204 8.750 1.00 0.00 ATOM 792 OG1 THR A 97 20.503 -6.179 8.865 1.00 0.00 ATOM 793 O THR A 97 18.972 -6.704 6.002 1.00 0.00 ATOM 794 C THR A 97 19.569 -7.587 6.627 1.00 0.00 ATOM 795 N LEU A 98 18.919 -8.607 7.197 1.00 0.00 ATOM 796 CA LEU A 98 17.475 -8.779 7.077 1.00 0.00 ATOM 797 CB LEU A 98 17.012 -10.003 7.872 1.00 0.00 ATOM 798 CG LEU A 98 17.440 -11.367 7.324 1.00 0.00 ATOM 799 CD1 LEU A 98 17.074 -12.475 8.299 1.00 0.00 ATOM 800 CD2 LEU A 98 16.753 -11.653 5.998 1.00 0.00 ATOM 801 O LEU A 98 15.512 -7.402 7.105 1.00 0.00 ATOM 802 C LEU A 98 16.613 -7.633 7.602 1.00 0.00 ATOM 803 N HIS A 99 17.112 -6.856 8.671 1.00 0.00 ATOM 804 CA HIS A 99 16.352 -5.742 9.228 1.00 0.00 ATOM 805 CB HIS A 99 16.310 -5.856 10.751 1.00 0.00 ATOM 806 CG HIS A 99 15.627 -7.094 11.233 1.00 0.00 ATOM 807 CD2 HIS A 99 14.317 -7.424 11.285 1.00 0.00 ATOM 808 ND1 HIS A 99 16.319 -8.196 11.691 1.00 0.00 ATOM 809 CE1 HIS A 99 15.460 -9.151 12.002 1.00 0.00 ATOM 810 NE2 HIS A 99 14.238 -8.708 11.764 1.00 0.00 ATOM 811 O HIS A 99 16.473 -3.373 9.490 1.00 0.00 ATOM 812 C HIS A 99 16.865 -4.357 8.867 1.00 0.00 ATOM 813 N SER A 100 17.751 -4.267 7.900 1.00 0.00 ATOM 814 CA SER A 100 18.247 -2.967 7.455 1.00 0.00 ATOM 815 CB SER A 100 19.190 -3.129 6.307 1.00 0.00 ATOM 816 OG SER A 100 20.358 -3.790 6.765 1.00 0.00 ATOM 817 O SER A 100 17.368 -0.752 7.090 1.00 0.00 ATOM 818 C SER A 100 17.156 -1.971 7.037 1.00 0.00 ATOM 819 N PHE A 101 16.007 -2.482 6.607 1.00 0.00 ATOM 820 CA PHE A 101 14.904 -1.618 6.169 1.00 0.00 ATOM 821 CB PHE A 101 14.354 -2.117 4.839 1.00 0.00 ATOM 822 CG PHE A 101 15.371 -2.076 3.718 1.00 0.00 ATOM 823 CD1 PHE A 101 15.771 -3.252 3.078 1.00 0.00 ATOM 824 CD2 PHE A 101 15.926 -0.865 3.304 1.00 0.00 ATOM 825 CE1 PHE A 101 16.708 -3.227 2.043 1.00 0.00 ATOM 826 CE2 PHE A 101 16.869 -0.827 2.267 1.00 0.00 ATOM 827 CZ PHE A 101 17.257 -2.022 1.637 1.00 0.00 ATOM 828 O PHE A 101 12.693 -0.978 6.844 1.00 0.00 ATOM 829 C PHE A 101 13.747 -1.533 7.160 1.00 0.00 ATOM 830 N ASP A 102 13.925 -2.109 8.344 1.00 0.00 ATOM 831 CA ASP A 102 12.885 -2.095 9.363 1.00 0.00 ATOM 832 CB ASP A 102 13.363 -2.815 10.626 1.00 0.00 ATOM 833 CG ASP A 102 12.274 -2.937 11.674 1.00 0.00 ATOM 834 OD1 ASP A 102 11.247 -3.589 11.391 1.00 0.00 ATOM 835 OD2 ASP A 102 12.450 -2.382 12.779 1.00 0.00 ATOM 836 O ASP A 102 11.309 -0.403 9.989 1.00 0.00 ATOM 837 C ASP A 102 12.498 -0.692 9.824 1.00 0.00 ATOM 838 N ALA A 103 13.525 0.246 9.918 1.00 0.00 ATOM 839 CA ALA A 103 13.313 1.634 10.341 1.00 0.00 ATOM 840 CB ALA A 103 14.647 2.330 10.570 1.00 0.00 ATOM 841 O ALA A 103 11.574 3.129 9.620 1.00 0.00 ATOM 842 C ALA A 103 12.522 2.410 9.291 1.00 0.00 ATOM 843 N ALA A 104 12.848 2.181 8.022 1.00 0.00 ATOM 844 CA ALA A 104 12.159 2.858 6.930 1.00 0.00 ATOM 845 CB ALA A 104 12.895 2.629 5.619 1.00 0.00 ATOM 846 O ALA A 104 9.790 3.096 6.519 1.00 0.00 ATOM 847 C ALA A 104 10.744 2.326 6.745 1.00 0.00 ATOM 848 N GLN A 105 10.560 1.012 6.840 1.00 0.00 ATOM 849 CA GLN A 105 9.242 0.425 6.696 1.00 0.00 ATOM 850 CB GLN A 105 9.316 -1.099 6.803 1.00 0.00 ATOM 851 CG GLN A 105 7.976 -1.799 6.633 1.00 0.00 ATOM 852 CD GLN A 105 8.095 -3.308 6.697 1.00 0.00 ATOM 853 OE1 GLN A 105 9.177 -3.846 6.938 1.00 0.00 ATOM 854 NE2 GLN A 105 6.982 -3.999 6.479 1.00 0.00 ATOM 855 O GLN A 105 7.177 1.301 7.530 1.00 0.00 ATOM 856 C GLN A 105 8.329 0.934 7.787 1.00 0.00 ATOM 857 N SER A 106 8.836 1.035 9.003 1.00 0.00 ATOM 858 CA SER A 106 8.028 1.550 10.133 1.00 0.00 ATOM 859 CB SER A 106 8.791 1.405 11.452 1.00 0.00 ATOM 860 OG SER A 106 9.022 0.040 11.760 1.00 0.00 ATOM 861 O SER A 106 6.540 3.414 10.298 1.00 0.00 ATOM 862 C SER A 106 7.653 3.007 9.965 1.00 0.00 ATOM 863 N ARG A 107 8.585 3.800 9.450 1.00 0.00 ATOM 864 CA ARG A 107 8.324 5.212 9.238 1.00 0.00 ATOM 865 CB ARG A 107 9.568 5.911 8.687 1.00 0.00 ATOM 866 CG ARG A 107 9.362 7.382 8.360 1.00 0.00 ATOM 867 CD ARG A 107 8.997 8.177 9.602 1.00 0.00 ATOM 868 NE ARG A 107 10.078 8.182 10.586 1.00 0.00 ATOM 869 CZ ARG A 107 9.953 8.630 11.831 1.00 0.00 ATOM 870 NH1 ARG A 107 10.990 8.595 12.655 1.00 0.00 ATOM 871 NH2 ARG A 107 8.791 9.112 12.249 1.00 0.00 ATOM 872 O ARG A 107 6.241 6.150 8.484 1.00 0.00 ATOM 873 C ARG A 107 7.178 5.385 8.238 1.00 0.00 ATOM 874 N VAL A 108 7.229 4.634 7.139 1.00 0.00 ATOM 875 CA VAL A 108 6.186 4.706 6.116 1.00 0.00 ATOM 876 CB VAL A 108 6.552 3.868 4.877 1.00 0.00 ATOM 877 CG1 VAL A 108 5.378 3.805 3.912 1.00 0.00 ATOM 878 CG2 VAL A 108 7.740 4.479 4.151 1.00 0.00 ATOM 879 O VAL A 108 3.801 4.716 6.352 1.00 0.00 ATOM 880 C VAL A 108 4.861 4.183 6.663 1.00 0.00 ATOM 881 N TYR A 109 4.932 3.142 7.486 1.00 0.00 ATOM 882 CA TYR A 109 3.747 2.565 8.097 1.00 0.00 ATOM 883 CB TYR A 109 4.115 1.359 8.925 1.00 0.00 ATOM 884 CG TYR A 109 2.961 0.592 9.589 1.00 0.00 ATOM 885 CD1 TYR A 109 2.504 -0.600 9.056 1.00 0.00 ATOM 886 CD2 TYR A 109 2.371 1.058 10.749 1.00 0.00 ATOM 887 CE1 TYR A 109 1.460 -1.328 9.678 1.00 0.00 ATOM 888 CE2 TYR A 109 1.327 0.360 11.368 1.00 0.00 ATOM 889 CZ TYR A 109 0.882 -0.834 10.824 1.00 0.00 ATOM 890 OH TYR A 109 -0.117 -1.555 11.459 1.00 0.00 ATOM 891 O TYR A 109 1.799 3.775 8.856 1.00 0.00 ATOM 892 C TYR A 109 3.024 3.612 8.945 1.00 0.00 ATOM 893 N GLN A 110 3.791 4.305 9.784 1.00 0.00 ATOM 894 CA GLN A 110 3.247 5.330 10.672 1.00 0.00 ATOM 895 CB GLN A 110 4.327 5.840 11.628 1.00 0.00 ATOM 896 CG GLN A 110 4.750 4.831 12.683 1.00 0.00 ATOM 897 CD GLN A 110 5.897 5.328 13.540 1.00 0.00 ATOM 898 OE1 GLN A 110 6.454 6.398 13.288 1.00 0.00 ATOM 899 NE2 GLN A 110 6.254 4.555 14.557 1.00 0.00 ATOM 900 O GLN A 110 1.678 7.096 10.206 1.00 0.00 ATOM 901 C GLN A 110 2.696 6.497 9.855 1.00 0.00 ATOM 902 N LEU A 111 3.392 6.851 8.768 1.00 0.00 ATOM 903 CA LEU A 111 2.922 7.932 7.914 1.00 0.00 ATOM 904 CB LEU A 111 3.919 8.188 6.790 1.00 0.00 ATOM 905 CG LEU A 111 5.185 8.956 7.216 1.00 0.00 ATOM 906 CD1 LEU A 111 6.238 8.898 6.123 1.00 0.00 ATOM 907 CD2 LEU A 111 4.816 10.405 7.562 1.00 0.00 ATOM 908 O LEU A 111 0.666 8.472 7.298 1.00 0.00 ATOM 909 C LEU A 111 1.558 7.622 7.300 1.00 0.00 ATOM 910 N MET A 112 1.390 6.403 6.794 1.00 0.00 ATOM 911 CA MET A 112 0.114 5.996 6.198 1.00 0.00 ATOM 912 CB MET A 112 0.172 4.673 5.520 1.00 0.00 ATOM 913 CG MET A 112 1.017 4.692 4.272 1.00 0.00 ATOM 914 SD MET A 112 0.838 3.195 3.306 1.00 0.00 ATOM 915 CE MET A 112 1.919 2.121 4.269 1.00 0.00 ATOM 916 O MET A 112 -2.084 6.413 7.070 1.00 0.00 ATOM 917 C MET A 112 -0.965 5.944 7.276 1.00 0.00 ATOM 918 N GLU A 113 -0.606 5.425 8.440 1.00 0.00 ATOM 919 CA GLU A 113 -1.569 5.371 9.549 1.00 0.00 ATOM 920 CB GLU A 113 -0.970 4.637 10.751 1.00 0.00 ATOM 921 CG GLU A 113 -1.929 4.476 11.920 1.00 0.00 ATOM 922 CD GLU A 113 -1.313 3.715 13.077 1.00 0.00 ATOM 923 OE1 GLU A 113 -0.140 3.301 12.959 1.00 0.00 ATOM 924 OE2 GLU A 113 -2.003 3.533 14.102 1.00 0.00 ATOM 925 O GLU A 113 -3.171 7.063 10.097 1.00 0.00 ATOM 926 C GLU A 113 -1.984 6.763 10.005 1.00 0.00 ATOM 927 N GLN A 114 -0.997 7.626 10.223 1.00 0.00 ATOM 928 CA GLN A 114 -1.249 8.990 10.667 1.00 0.00 ATOM 929 CB GLN A 114 0.102 9.616 11.117 1.00 0.00 ATOM 930 CG GLN A 114 0.000 11.057 11.578 1.00 0.00 ATOM 931 CD GLN A 114 -0.687 11.195 12.912 1.00 0.00 ATOM 932 OE1 GLN A 114 -0.026 11.284 13.935 1.00 0.00 ATOM 933 NE2 GLN A 114 -2.013 11.190 12.907 1.00 0.00 ATOM 934 O GLN A 114 -2.785 10.695 9.977 1.00 0.00 ATOM 935 C GLN A 114 -1.877 9.934 9.639 1.00 0.00 ATOM 936 N ASP A 115 -1.413 9.892 8.391 1.00 0.00 ATOM 937 CA ASP A 115 -1.935 10.806 7.374 1.00 0.00 ATOM 938 CB ASP A 115 -0.804 11.304 6.470 1.00 0.00 ATOM 939 CG ASP A 115 0.224 12.123 7.225 1.00 0.00 ATOM 940 OD1 ASP A 115 -0.176 13.055 7.954 1.00 0.00 ATOM 941 OD2 ASP A 115 1.432 11.834 7.086 1.00 0.00 ATOM 942 O ASP A 115 -3.694 11.096 5.795 1.00 0.00 ATOM 943 C ASP A 115 -2.994 10.290 6.408 1.00 0.00 ATOM 944 N SER A 116 -3.158 8.975 6.289 1.00 0.00 ATOM 945 CA SER A 116 -4.119 8.455 5.315 1.00 0.00 ATOM 946 CB SER A 116 -3.399 7.609 4.262 1.00 0.00 ATOM 947 OG SER A 116 -2.498 8.399 3.505 1.00 0.00 ATOM 948 O SER A 116 -6.318 7.578 5.220 1.00 0.00 ATOM 949 C SER A 116 -5.227 7.568 5.828 1.00 0.00 ATOM 950 N TYR A 117 -4.942 6.733 6.848 1.00 0.00 ATOM 951 CA TYR A 117 -5.955 5.776 7.297 1.00 0.00 ATOM 952 CB TYR A 117 -5.510 5.095 8.593 1.00 0.00 ATOM 953 CG TYR A 117 -6.528 4.131 9.159 1.00 0.00 ATOM 954 CD1 TYR A 117 -6.647 2.844 8.654 1.00 0.00 ATOM 955 CD2 TYR A 117 -7.368 4.514 10.198 1.00 0.00 ATOM 956 CE1 TYR A 117 -7.574 1.956 9.167 1.00 0.00 ATOM 957 CE2 TYR A 117 -8.302 3.640 10.722 1.00 0.00 ATOM 958 CZ TYR A 117 -8.400 2.353 10.195 1.00 0.00 ATOM 959 OH TYR A 117 -9.325 1.472 10.707 1.00 0.00 ATOM 960 O TYR A 117 -8.323 5.739 7.169 1.00 0.00 ATOM 961 C TYR A 117 -7.336 6.296 7.653 1.00 0.00 ATOM 962 N THR A 118 -7.426 7.350 8.454 1.00 0.00 ATOM 963 CA THR A 118 -8.721 7.941 8.809 1.00 0.00 ATOM 964 CB THR A 118 -8.570 9.062 9.854 1.00 0.00 ATOM 965 CG2 THR A 118 -9.926 9.672 10.180 1.00 0.00 ATOM 966 OG1 THR A 118 -8.001 8.527 11.055 1.00 0.00 ATOM 967 O THR A 118 -10.615 8.295 7.382 1.00 0.00 ATOM 968 C THR A 118 -9.426 8.534 7.595 1.00 0.00 ATOM 969 N ARG A 119 -8.690 9.276 6.774 1.00 0.00 ATOM 970 CA ARG A 119 -9.277 9.864 5.576 1.00 0.00 ATOM 971 CB ARG A 119 -8.151 10.760 4.965 1.00 0.00 ATOM 972 CG ARG A 119 -8.513 11.434 3.640 1.00 0.00 ATOM 973 CD ARG A 119 -7.809 12.785 3.384 1.00 0.00 ATOM 974 NE ARG A 119 -6.393 12.810 3.747 1.00 0.00 ATOM 975 CZ ARG A 119 -5.878 13.580 4.699 1.00 0.00 ATOM 976 NH1 ARG A 119 -6.672 14.388 5.420 1.00 0.00 ATOM 977 NH2 ARG A 119 -4.569 13.535 4.946 1.00 0.00 ATOM 978 O ARG A 119 -10.846 8.914 4.007 1.00 0.00 ATOM 979 C ARG A 119 -9.803 8.758 4.654 1.00 0.00 ATOM 980 N PHE A 120 -9.082 7.640 4.592 1.00 0.00 ATOM 981 CA PHE A 120 -9.512 6.516 3.760 1.00 0.00 ATOM 982 CB PHE A 120 -8.507 5.365 3.851 1.00 0.00 ATOM 983 CG PHE A 120 -8.898 4.155 3.051 1.00 0.00 ATOM 984 CD1 PHE A 120 -8.692 4.117 1.683 1.00 0.00 ATOM 985 CD2 PHE A 120 -9.470 3.056 3.666 1.00 0.00 ATOM 986 CE1 PHE A 120 -9.049 3.003 0.947 1.00 0.00 ATOM 987 CE2 PHE A 120 -9.828 1.943 2.931 1.00 0.00 ATOM 988 CZ PHE A 120 -9.621 1.913 1.577 1.00 0.00 ATOM 989 O PHE A 120 -11.779 5.797 3.415 1.00 0.00 ATOM 990 C PHE A 120 -10.874 6.013 4.227 1.00 0.00 ATOM 991 N LEU A 121 -11.031 5.827 5.539 1.00 0.00 ATOM 992 CA LEU A 121 -12.305 5.342 6.061 1.00 0.00 ATOM 993 CB LEU A 121 -12.205 5.132 7.573 1.00 0.00 ATOM 994 CG LEU A 121 -11.286 4.002 8.041 1.00 0.00 ATOM 995 CD1 LEU A 121 -11.149 4.012 9.556 1.00 0.00 ATOM 996 CD2 LEU A 121 -11.842 2.649 7.622 1.00 0.00 ATOM 997 O LEU A 121 -14.604 5.843 5.605 1.00 0.00 ATOM 998 C LEU A 121 -13.467 6.289 5.778 1.00 0.00 ATOM 999 N LYS A 122 -13.173 7.587 5.719 1.00 0.00 ATOM 1000 CA LYS A 122 -14.189 8.608 5.451 1.00 0.00 ATOM 1001 CB LYS A 122 -13.784 9.934 6.096 1.00 0.00 ATOM 1002 CG LYS A 122 -13.708 9.888 7.615 1.00 0.00 ATOM 1003 CD LYS A 122 -13.296 11.234 8.188 1.00 0.00 ATOM 1004 CE LYS A 122 -13.169 11.173 9.701 1.00 0.00 ATOM 1005 NZ LYS A 122 -12.791 12.493 10.280 1.00 0.00 ATOM 1006 O LYS A 122 -15.228 9.675 3.574 1.00 0.00 ATOM 1007 C LYS A 122 -14.392 8.858 3.958 1.00 0.00 ATOM 1008 N SER A 123 -13.637 8.151 3.123 1.00 0.00 ATOM 1009 CA SER A 123 -13.702 8.332 1.673 1.00 0.00 ATOM 1010 CB SER A 123 -12.421 7.822 1.002 1.00 0.00 ATOM 1011 OG SER A 123 -12.440 8.113 -0.404 1.00 0.00 ATOM 1012 O SER A 123 -15.265 6.497 1.538 1.00 0.00 ATOM 1013 C SER A 123 -14.793 7.496 0.984 1.00 0.00 ATOM 1014 N ASP A 124 -15.205 7.938 -0.216 1.00 0.00 ATOM 1015 CA ASP A 124 -16.204 7.238 -1.024 1.00 0.00 ATOM 1016 CB ASP A 124 -16.466 7.998 -2.327 1.00 0.00 ATOM 1017 CG ASP A 124 -17.260 9.271 -2.107 1.00 0.00 ATOM 1018 OD1 ASP A 124 -17.804 9.449 -0.998 1.00 0.00 ATOM 1019 OD2 ASP A 124 -17.338 10.090 -3.047 1.00 0.00 ATOM 1020 O ASP A 124 -16.578 4.925 -1.506 1.00 0.00 ATOM 1021 C ASP A 124 -15.759 5.828 -1.393 1.00 0.00 ATOM 1022 N ILE A 125 -14.453 5.641 -1.560 1.00 0.00 ATOM 1023 CA ILE A 125 -13.928 4.331 -1.917 1.00 0.00 ATOM 1024 CB ILE A 125 -12.402 4.369 -2.118 1.00 0.00 ATOM 1025 CG1 ILE A 125 -12.048 5.198 -3.355 1.00 0.00 ATOM 1026 CG2 ILE A 125 -11.853 2.962 -2.308 1.00 0.00 ATOM 1027 CD1 ILE A 125 -10.573 5.514 -3.477 1.00 0.00 ATOM 1028 O ILE A 125 -14.871 2.282 -1.079 1.00 0.00 ATOM 1029 C ILE A 125 -14.271 3.326 -0.819 1.00 0.00 ATOM 1030 N TYR A 126 -13.940 3.646 0.426 1.00 0.00 ATOM 1031 CA TYR A 126 -14.250 2.752 1.532 1.00 0.00 ATOM 1032 CB TYR A 126 -13.720 3.350 2.854 1.00 0.00 ATOM 1033 CG TYR A 126 -14.085 2.528 4.073 1.00 0.00 ATOM 1034 CD1 TYR A 126 -13.452 1.312 4.334 1.00 0.00 ATOM 1035 CD2 TYR A 126 -15.088 2.947 4.940 1.00 0.00 ATOM 1036 CE1 TYR A 126 -13.814 0.530 5.429 1.00 0.00 ATOM 1037 CE2 TYR A 126 -15.461 2.172 6.041 1.00 0.00 ATOM 1038 CZ TYR A 126 -14.820 0.966 6.277 1.00 0.00 ATOM 1039 OH TYR A 126 -15.191 0.191 7.356 1.00 0.00 ATOM 1040 O TYR A 126 -16.180 1.375 1.964 1.00 0.00 ATOM 1041 C TYR A 126 -15.755 2.513 1.686 1.00 0.00 ATOM 1042 N LEU A 127 -16.566 3.564 1.656 1.00 0.00 ATOM 1043 CA LEU A 127 -18.002 3.378 1.793 1.00 0.00 ATOM 1044 CB LEU A 127 -18.675 4.745 1.659 1.00 0.00 ATOM 1045 CG LEU A 127 -18.488 5.711 2.833 1.00 0.00 ATOM 1046 CD1 LEU A 127 -19.062 7.079 2.498 1.00 0.00 ATOM 1047 CD2 LEU A 127 -19.193 5.189 4.074 1.00 0.00 ATOM 1048 O LEU A 127 -19.412 1.642 0.964 1.00 0.00 ATOM 1049 C LEU A 127 -18.557 2.477 0.693 1.00 0.00 ATOM 1050 N ASP A 128 -18.022 2.579 -0.528 1.00 0.00 ATOM 1051 CA ASP A 128 -18.474 1.704 -1.604 1.00 0.00 ATOM 1052 CB ASP A 128 -17.865 2.137 -2.939 1.00 0.00 ATOM 1053 CG ASP A 128 -18.479 3.416 -3.472 1.00 0.00 ATOM 1054 OD1 ASP A 128 -19.532 3.833 -2.947 1.00 0.00 ATOM 1055 OD2 ASP A 128 -17.907 4.002 -4.416 1.00 0.00 ATOM 1056 O ASP A 128 -18.842 -0.663 -1.519 1.00 0.00 ATOM 1057 C ASP A 128 -18.065 0.269 -1.314 1.00 0.00 ATOM 1058 N LEU A 129 -16.821 0.085 -0.827 1.00 0.00 ATOM 1059 CA LEU A 129 -16.303 -1.235 -0.500 1.00 0.00 ATOM 1060 CB LEU A 129 -14.879 -1.113 0.048 1.00 0.00 ATOM 1061 CG LEU A 129 -13.804 -0.681 -0.952 1.00 0.00 ATOM 1062 CD1 LEU A 129 -12.483 -0.425 -0.241 1.00 0.00 ATOM 1063 CD2 LEU A 129 -13.580 -1.760 -2.000 1.00 0.00 ATOM 1064 O LEU A 129 -17.502 -3.087 0.473 1.00 0.00 ATOM 1065 C LEU A 129 -17.193 -1.900 0.554 1.00 0.00 ATOM 1066 N MET A 130 -17.581 -1.119 1.556 1.00 0.00 ATOM 1067 CA MET A 130 -18.422 -1.616 2.639 1.00 0.00 ATOM 1068 CB MET A 130 -18.557 -0.560 3.738 1.00 0.00 ATOM 1069 CG MET A 130 -19.439 -0.984 4.901 1.00 0.00 ATOM 1070 SD MET A 130 -19.611 0.304 6.150 1.00 0.00 ATOM 1071 CE MET A 130 -20.671 1.467 5.293 1.00 0.00 ATOM 1072 O MET A 130 -20.382 -3.008 2.550 1.00 0.00 ATOM 1073 C MET A 130 -19.834 -1.970 2.175 1.00 0.00 ATOM 1074 N GLU A 131 -20.435 -1.094 1.383 1.00 0.00 ATOM 1075 CA GLU A 131 -21.787 -1.309 0.867 1.00 0.00 ATOM 1076 CB GLU A 131 -22.226 -0.123 0.008 1.00 0.00 ATOM 1077 CG GLU A 131 -22.500 1.148 0.795 1.00 0.00 ATOM 1078 CD GLU A 131 -22.813 2.332 -0.098 1.00 0.00 ATOM 1079 OE1 GLU A 131 -22.744 2.177 -1.336 1.00 0.00 ATOM 1080 OE2 GLU A 131 -23.128 3.414 0.439 1.00 0.00 ATOM 1081 O GLU A 131 -22.803 -3.360 0.104 1.00 0.00 ATOM 1082 C GLU A 131 -21.859 -2.577 -0.002 1.00 0.00 ATOM 1083 N GLY A 132 -20.874 -2.764 -0.877 1.00 0.00 ATOM 1084 CA GLY A 132 -20.805 -3.976 -1.693 1.00 0.00 ATOM 1085 O GLY A 132 -21.208 -6.263 -1.127 1.00 0.00 ATOM 1086 C GLY A 132 -20.642 -5.216 -0.827 1.00 0.00 ENDMDL EXPDTA 2h33A MODEL 2 REMARK 44 REMARK 44 model 2 is called 2h33A ATOM 1 N SER 1 -11.099 -11.906 -3.578 1.00 0.00 ATOM 2 CA SER 1 -12.448 -11.305 -3.374 1.00 0.00 ATOM 3 CB SER 1 -13.399 -11.813 -4.456 1.00 0.00 ATOM 4 OG SER 1 -14.627 -11.102 -4.375 1.00 0.00 ATOM 5 O SER 1 -13.798 -12.598 -1.867 1.00 0.00 ATOM 6 C SER 1 -12.971 -11.695 -1.995 1.00 0.00 ATOM 7 N MET 2 -12.484 -11.007 -0.967 1.00 0.00 ATOM 8 CA MET 2 -12.910 -11.290 0.399 1.00 0.00 ATOM 9 CB MET 2 -12.170 -12.517 0.934 1.00 0.00 ATOM 10 CG MET 2 -12.862 -13.021 2.202 1.00 0.00 ATOM 11 SD MET 2 -14.387 -13.885 1.753 1.00 0.00 ATOM 12 CE MET 2 -13.667 -15.534 1.565 1.00 0.00 ATOM 13 O MET 2 -11.533 -9.550 1.291 1.00 0.00 ATOM 14 C MET 2 -12.634 -10.092 1.303 1.00 0.00 ATOM 15 N VAL 3 -13.655 -9.701 2.074 1.00 0.00 ATOM 16 CA VAL 3 -13.573 -8.564 3.006 1.00 0.00 ATOM 17 CB VAL 3 -12.256 -7.796 2.885 1.00 0.00 ATOM 18 CG1 VAL 3 -12.178 -7.107 1.533 1.00 0.00 ATOM 19 CG2 VAL 3 -12.184 -6.723 3.967 1.00 0.00 ATOM 20 O VAL 3 -14.562 -6.541 2.186 1.00 0.00 ATOM 21 C VAL 3 -14.714 -7.613 2.771 1.00 0.00 ATOM 22 N SER 4 -15.846 -8.000 3.290 1.00 0.00 ATOM 23 CA SER 4 -17.019 -7.179 3.208 1.00 0.00 ATOM 24 CB SER 4 -18.214 -8.001 3.644 1.00 0.00 ATOM 25 OG SER 4 -17.925 -9.383 3.468 1.00 0.00 ATOM 26 O SER 4 -15.699 -5.821 4.643 1.00 0.00 ATOM 27 C SER 4 -16.814 -6.027 4.166 1.00 0.00 ATOM 28 N PRO 5 -17.830 -5.299 4.508 1.00 0.00 ATOM 29 CA PRO 5 -17.662 -4.210 5.478 1.00 0.00 ATOM 30 CB PRO 5 -19.026 -3.493 5.510 1.00 0.00 ATOM 31 CG PRO 5 -19.825 -4.053 4.373 1.00 0.00 ATOM 32 CD PRO 5 -19.216 -5.407 4.025 1.00 0.00 ATOM 33 O PRO 5 -17.459 -4.090 7.847 1.00 0.00 ATOM 34 C PRO 5 -17.309 -4.776 6.851 1.00 0.00 ATOM 35 N GLU 6 -16.840 -6.037 6.908 1.00 0.00 ATOM 36 CA GLU 6 -16.504 -6.647 8.202 1.00 0.00 ATOM 37 CB GLU 6 -17.080 -8.061 8.283 1.00 0.00 ATOM 38 CG GLU 6 -16.886 -8.614 9.697 1.00 0.00 ATOM 39 CD GLU 6 -17.709 -9.885 9.876 1.00 0.00 ATOM 40 OE1 GLU 6 -18.008 -10.519 8.879 1.00 0.00 ATOM 41 OE2 GLU 6 -18.029 -10.204 11.010 1.00 0.00 ATOM 42 O GLU 6 -14.489 -6.126 9.384 1.00 0.00 ATOM 43 C GLU 6 -15.001 -6.689 8.416 1.00 0.00 ATOM 44 N GLU 7 -14.271 -7.315 7.515 1.00 0.00 ATOM 45 CA GLU 7 -12.841 -7.320 7.684 1.00 0.00 ATOM 46 CB GLU 7 -12.189 -8.429 6.871 1.00 0.00 ATOM 47 CG GLU 7 -10.669 -8.381 7.052 1.00 0.00 ATOM 48 CD GLU 7 -10.311 -8.309 8.535 1.00 0.00 ATOM 49 OE1 GLU 7 -10.864 -9.086 9.295 1.00 0.00 ATOM 50 OE2 GLU 7 -9.491 -7.478 8.886 1.00 0.00 ATOM 51 O GLU 7 -11.368 -5.430 7.791 1.00 0.00 ATOM 52 C GLU 7 -12.352 -5.948 7.263 1.00 0.00 ATOM 53 N ALA 8 -13.093 -5.340 6.330 1.00 0.00 ATOM 54 CA ALA 8 -12.763 -4.000 5.881 1.00 0.00 ATOM 55 CB ALA 8 -13.568 -3.574 4.657 1.00 0.00 ATOM 56 O ALA 8 -12.117 -2.258 7.368 1.00 0.00 ATOM 57 C ALA 8 -13.022 -3.006 7.002 1.00 0.00 ATOM 58 N VAL 9 -14.250 -2.982 7.566 1.00 0.00 ATOM 59 CA VAL 9 -14.507 -2.040 8.649 1.00 0.00 ATOM 60 CB VAL 9 -15.670 -2.475 9.552 1.00 0.00 ATOM 61 CG1 VAL 9 -17.004 -1.916 9.046 1.00 0.00 ATOM 62 CG2 VAL 9 -15.707 -3.982 9.629 1.00 0.00 ATOM 63 O VAL 9 -12.694 -0.931 9.763 1.00 0.00 ATOM 64 C VAL 9 -13.263 -1.989 9.501 1.00 0.00 ATOM 65 N LYS 10 -12.848 -3.180 9.906 1.00 0.00 ATOM 66 CA LYS 10 -11.655 -3.338 10.712 1.00 0.00 ATOM 67 CB LYS 10 -11.179 -4.799 10.642 1.00 0.00 ATOM 68 CG LYS 10 -11.051 -5.384 12.056 1.00 0.00 ATOM 69 CD LYS 10 -12.447 -5.661 12.633 1.00 0.00 ATOM 70 CE LYS 10 -12.906 -7.067 12.231 1.00 0.00 ATOM 71 NZ LYS 10 -12.239 -8.076 13.101 1.00 0.00 ATOM 72 O LYS 10 -9.963 -1.651 10.982 1.00 0.00 ATOM 73 C LYS 10 -10.558 -2.397 10.207 1.00 0.00 ATOM 74 N TRP 11 -10.304 -2.427 8.895 1.00 0.00 ATOM 75 CA TRP 11 -9.286 -1.557 8.310 1.00 0.00 ATOM 76 CB TRP 11 -9.375 -1.546 6.782 1.00 0.00 ATOM 77 CG TRP 11 -9.300 -2.933 6.233 1.00 0.00 ATOM 78 CD1 TRP 11 -8.960 -4.022 6.937 1.00 0.00 ATOM 79 CD2 TRP 11 -9.573 -3.392 4.885 1.00 0.00 ATOM 80 CE2 TRP 11 -9.380 -4.791 4.842 1.00 0.00 ATOM 81 CE3 TRP 11 -9.969 -2.745 3.709 1.00 0.00 ATOM 82 NE1 TRP 11 -9.010 -5.130 6.111 1.00 0.00 ATOM 83 CZ2 TRP 11 -9.569 -5.519 3.683 1.00 0.00 ATOM 84 CZ3 TRP 11 -10.165 -3.486 2.535 1.00 0.00 ATOM 85 CH2 TRP 11 -9.964 -4.867 2.527 1.00 0.00 ATOM 86 O TRP 11 -8.585 0.692 8.684 1.00 0.00 ATOM 87 C TRP 11 -9.475 -0.138 8.804 1.00 0.00 ATOM 88 N GLY 12 -10.650 0.135 9.345 1.00 0.00 ATOM 89 CA GLY 12 -10.956 1.465 9.846 1.00 0.00 ATOM 90 O GLY 12 -10.860 2.602 11.956 1.00 0.00 ATOM 91 C GLY 12 -10.538 1.609 11.303 1.00 0.00 ATOM 92 N GLU 13 -9.812 0.615 11.809 1.00 0.00 ATOM 93 CA GLU 13 -9.351 0.648 13.193 1.00 0.00 ATOM 94 CB GLU 13 -10.323 -0.135 14.090 1.00 0.00 ATOM 95 CG GLU 13 -9.898 -1.605 14.177 1.00 0.00 ATOM 96 CD GLU 13 -11.047 -2.449 14.717 1.00 0.00 ATOM 97 OE1 GLU 13 -10.786 -3.322 15.528 1.00 0.00 ATOM 98 OE2 GLU 13 -12.173 -2.211 14.310 1.00 0.00 ATOM 99 O GLU 13 -7.408 -0.053 14.415 1.00 0.00 ATOM 100 C GLU 13 -7.942 0.067 13.312 1.00 0.00 ATOM 101 N SER 14 -7.340 -0.294 12.180 1.00 0.00 ATOM 102 CA SER 14 -5.996 -0.859 12.204 1.00 0.00 ATOM 103 CB SER 14 -6.037 -2.245 12.824 1.00 0.00 ATOM 104 OG SER 14 -4.881 -2.974 12.436 1.00 0.00 ATOM 105 O SER 14 -5.391 -1.944 10.107 1.00 0.00 ATOM 106 C SER 14 -5.382 -0.912 10.803 1.00 0.00 ATOM 107 N PHE 15 -4.833 0.222 10.413 1.00 0.00 ATOM 108 CA PHE 15 -4.186 0.367 9.123 1.00 0.00 ATOM 109 CB PHE 15 -3.285 1.599 9.191 1.00 0.00 ATOM 110 CG PHE 15 -2.609 1.836 7.868 1.00 0.00 ATOM 111 CD1 PHE 15 -3.369 1.909 6.707 1.00 0.00 ATOM 112 CD2 PHE 15 -1.221 1.976 7.800 1.00 0.00 ATOM 113 CE1 PHE 15 -2.760 2.113 5.481 1.00 0.00 ATOM 114 CE2 PHE 15 -0.604 2.188 6.569 1.00 0.00 ATOM 115 CZ PHE 15 -1.373 2.255 5.407 1.00 0.00 ATOM 116 O PHE 15 -3.028 -1.122 7.629 1.00 0.00 ATOM 117 C PHE 15 -3.353 -0.871 8.788 1.00 0.00 ATOM 118 N ASP 16 -3.006 -1.625 9.823 1.00 0.00 ATOM 119 CA ASP 16 -2.195 -2.831 9.667 1.00 0.00 ATOM 120 CB ASP 16 -1.649 -3.263 11.027 1.00 0.00 ATOM 121 CG ASP 16 -0.645 -4.397 10.850 1.00 0.00 ATOM 122 OD1 ASP 16 -0.651 -5.302 11.669 1.00 0.00 ATOM 123 OD2 ASP 16 0.117 -4.343 9.899 1.00 0.00 ATOM 124 O ASP 16 -2.615 -4.501 8.000 1.00 0.00 ATOM 125 C ASP 16 -2.985 -3.983 9.053 1.00 0.00 ATOM 126 N LYS 17 -4.059 -4.401 9.718 1.00 0.00 ATOM 127 CA LYS 17 -4.850 -5.516 9.204 1.00 0.00 ATOM 128 CB LYS 17 -5.993 -5.867 10.148 1.00 0.00 ATOM 129 CG LYS 17 -6.799 -4.611 10.447 1.00 0.00 ATOM 130 CD LYS 17 -7.884 -4.945 11.475 1.00 0.00 ATOM 131 CE LYS 17 -7.243 -5.290 12.828 1.00 0.00 ATOM 132 NZ LYS 17 -7.219 -6.770 13.000 1.00 0.00 ATOM 133 O LYS 17 -5.919 -6.069 7.143 1.00 0.00 ATOM 134 C LYS 17 -5.409 -5.189 7.835 1.00 0.00 ATOM 135 N LEU 18 -5.269 -3.939 7.420 1.00 0.00 ATOM 136 CA LEU 18 -5.724 -3.549 6.103 1.00 0.00 ATOM 137 CB LEU 18 -6.000 -2.052 6.102 1.00 0.00 ATOM 138 CG LEU 18 -5.733 -1.438 4.721 1.00 0.00 ATOM 139 CD1 LEU 18 -6.975 -1.556 3.841 1.00 0.00 ATOM 140 CD2 LEU 18 -5.381 0.030 4.914 1.00 0.00 ATOM 141 O LEU 18 -4.739 -4.350 4.065 1.00 0.00 ATOM 142 C LEU 18 -4.587 -3.865 5.184 1.00 0.00 ATOM 143 N LEU 19 -3.439 -3.574 5.731 1.00 0.00 ATOM 144 CA LEU 19 -2.187 -3.787 5.083 1.00 0.00 ATOM 145 CB LEU 19 -1.173 -2.927 5.825 1.00 0.00 ATOM 146 CG LEU 19 -0.827 -1.712 4.985 1.00 0.00 ATOM 147 CD1 LEU 19 -2.065 -1.032 4.402 1.00 0.00 ATOM 148 CD2 LEU 19 -0.041 -0.710 5.814 1.00 0.00 ATOM 149 O LEU 19 -0.961 -5.742 4.425 1.00 0.00 ATOM 150 C LEU 19 -1.834 -5.263 5.149 1.00 0.00 ATOM 151 N SER 20 -2.544 -5.981 6.009 1.00 0.00 ATOM 152 CA SER 20 -2.331 -7.410 6.157 1.00 0.00 ATOM 153 CB SER 20 -2.411 -7.810 7.632 1.00 0.00 ATOM 154 OG SER 20 -1.507 -8.880 7.876 1.00 0.00 ATOM 155 O SER 20 -3.311 -9.405 5.251 1.00 0.00 ATOM 156 C SER 20 -3.378 -8.180 5.353 1.00 0.00 ATOM 157 N HIS 21 -4.344 -7.459 4.771 1.00 0.00 ATOM 158 CA HIS 21 -5.380 -8.106 3.977 1.00 0.00 ATOM 159 CB HIS 21 -6.748 -7.461 4.248 1.00 0.00 ATOM 160 CG HIS 21 -7.790 -8.532 4.374 1.00 0.00 ATOM 161 CD2 HIS 21 -8.069 -9.428 5.373 1.00 0.00 ATOM 162 ND1 HIS 21 -8.708 -8.779 3.370 1.00 0.00 ATOM 163 CE1 HIS 21 -9.494 -9.786 3.780 1.00 0.00 ATOM 164 NE2 HIS 21 -9.147 -10.225 4.992 1.00 0.00 ATOM 165 O HIS 21 -4.988 -6.888 1.953 1.00 0.00 ATOM 166 C HIS 21 -5.048 -7.990 2.497 1.00 0.00 ATOM 167 N ARG 22 -4.836 -9.128 1.849 1.00 0.00 ATOM 168 CA ARG 22 -4.514 -9.124 0.431 1.00 0.00 ATOM 169 CB ARG 22 -4.717 -10.521 -0.161 1.00 0.00 ATOM 170 CG ARG 22 -4.250 -10.534 -1.618 1.00 0.00 ATOM 171 CD ARG 22 -4.448 -11.931 -2.209 1.00 0.00 ATOM 172 NE ARG 22 -4.425 -11.868 -3.665 1.00 0.00 ATOM 173 CZ ARG 22 -3.280 -11.761 -4.331 1.00 0.00 ATOM 174 NH1 ARG 22 -2.150 -11.713 -3.680 1.00 0.00 ATOM 175 NH2 ARG 22 -3.285 -11.705 -5.634 1.00 0.00 ATOM 176 O ARG 22 -4.924 -7.354 -1.131 1.00 0.00 ATOM 177 C ARG 22 -5.398 -8.122 -0.301 1.00 0.00 ATOM 178 N ASP 23 -6.685 -8.131 0.024 1.00 0.00 ATOM 179 CA ASP 23 -7.624 -7.210 -0.602 1.00 0.00 ATOM 180 CB ASP 23 -9.050 -7.745 -0.458 1.00 0.00 ATOM 181 CG ASP 23 -9.290 -8.871 -1.460 1.00 0.00 ATOM 182 OD1 ASP 23 -10.254 -8.780 -2.202 1.00 0.00 ATOM 183 OD2 ASP 23 -8.508 -9.806 -1.467 1.00 0.00 ATOM 184 O ASP 23 -7.875 -4.822 -0.582 1.00 0.00 ATOM 185 C ASP 23 -7.522 -5.827 0.036 1.00 0.00 ATOM 186 N GLY 24 -7.028 -5.779 1.271 1.00 0.00 ATOM 187 CA GLY 24 -6.877 -4.510 1.970 1.00 0.00 ATOM 188 O GLY 24 -5.880 -2.620 0.903 1.00 0.00 ATOM 189 C GLY 24 -5.709 -3.730 1.401 1.00 0.00 ATOM 190 N LEU 25 -4.518 -4.314 1.453 1.00 0.00 ATOM 191 CA LEU 25 -3.364 -3.631 0.908 1.00 0.00 ATOM 192 CB LEU 25 -2.092 -4.481 1.092 1.00 0.00 ATOM 193 CG LEU 25 -1.632 -5.113 -0.227 1.00 0.00 ATOM 194 CD1 LEU 25 -0.303 -5.832 0.009 1.00 0.00 ATOM 195 CD2 LEU 25 -2.682 -6.121 -0.713 1.00 0.00 ATOM 196 O LEU 25 -3.210 -2.280 -1.068 1.00 0.00 ATOM 197 C LEU 25 -3.648 -3.307 -0.554 1.00 0.00 ATOM 198 N GLU 26 -4.430 -4.171 -1.208 1.00 0.00 ATOM 199 CA GLU 26 -4.806 -3.930 -2.595 1.00 0.00 ATOM 200 CB GLU 26 -5.477 -5.172 -3.194 1.00 0.00 ATOM 201 CG GLU 26 -4.834 -5.517 -4.542 1.00 0.00 ATOM 202 CD GLU 26 -4.920 -4.321 -5.484 1.00 0.00 ATOM 203 OE1 GLU 26 -5.865 -3.562 -5.359 1.00 0.00 ATOM 204 OE2 GLU 26 -4.039 -4.183 -6.317 1.00 0.00 ATOM 205 O GLU 26 -5.821 -1.992 -3.608 1.00 0.00 ATOM 206 C GLU 26 -5.773 -2.750 -2.639 1.00 0.00 ATOM 207 N ALA 27 -6.527 -2.603 -1.559 1.00 0.00 ATOM 208 CA ALA 27 -7.490 -1.514 -1.432 1.00 0.00 ATOM 209 CB ALA 27 -8.161 -1.611 -0.063 1.00 0.00 ATOM 210 O ALA 27 -6.950 0.628 -2.421 1.00 0.00 ATOM 211 C ALA 27 -6.791 -0.173 -1.491 1.00 0.00 ATOM 212 N PHE 28 -6.034 0.060 -0.449 1.00 0.00 ATOM 213 CA PHE 28 -5.309 1.282 -0.307 1.00 0.00 ATOM 214 CB PHE 28 -4.384 1.143 0.877 1.00 0.00 ATOM 215 CG PHE 28 -3.972 2.507 1.425 1.00 0.00 ATOM 216 CD1 PHE 28 -4.633 3.683 1.015 1.00 0.00 ATOM 217 CD2 PHE 28 -2.914 2.599 2.343 1.00 0.00 ATOM 218 CE1 PHE 28 -4.226 4.925 1.522 1.00 0.00 ATOM 219 CE2 PHE 28 -2.527 3.846 2.838 1.00 0.00 ATOM 220 CZ PHE 28 -3.175 5.001 2.428 1.00 0.00 ATOM 221 O PHE 28 -4.641 2.580 -2.206 1.00 0.00 ATOM 222 C PHE 28 -4.487 1.550 -1.548 1.00 0.00 ATOM 223 N THR 29 -3.600 0.606 -1.845 1.00 0.00 ATOM 224 CA THR 29 -2.727 0.732 -3.008 1.00 0.00 ATOM 225 CB THR 29 -2.283 -0.636 -3.521 1.00 0.00 ATOM 226 CG2 THR 29 -3.442 -1.288 -4.241 1.00 0.00 ATOM 227 OG1 THR 29 -1.193 -0.474 -4.417 1.00 0.00 ATOM 228 O THR 29 -2.879 2.459 -4.645 1.00 0.00 ATOM 229 C THR 29 -3.429 1.497 -4.122 1.00 0.00 ATOM 230 N ARG 30 -4.651 1.085 -4.481 1.00 0.00 ATOM 231 CA ARG 30 -5.363 1.793 -5.544 1.00 0.00 ATOM 232 CB ARG 30 -6.733 1.159 -5.821 1.00 0.00 ATOM 233 CG ARG 30 -6.765 -0.274 -5.293 1.00 0.00 ATOM 234 CD ARG 30 -8.064 -0.965 -5.728 1.00 0.00 ATOM 235 NE ARG 30 -7.797 -2.350 -6.101 1.00 0.00 ATOM 236 CZ ARG 30 -7.353 -2.661 -7.316 1.00 0.00 ATOM 237 NH1 ARG 30 -7.150 -1.721 -8.198 1.00 0.00 ATOM 238 NH2 ARG 30 -7.118 -3.907 -7.625 1.00 0.00 ATOM 239 O ARG 30 -5.247 4.156 -5.959 1.00 0.00 ATOM 240 C ARG 30 -5.554 3.260 -5.171 1.00 0.00 ATOM 241 N PHE 31 -6.070 3.508 -3.974 1.00 0.00 ATOM 242 CA PHE 31 -6.288 4.888 -3.556 1.00 0.00 ATOM 243 CB PHE 31 -7.064 4.947 -2.245 1.00 0.00 ATOM 244 CG PHE 31 -7.423 6.385 -1.953 1.00 0.00 ATOM 245 CD1 PHE 31 -8.370 7.039 -2.748 1.00 0.00 ATOM 246 CD2 PHE 31 -6.808 7.066 -0.897 1.00 0.00 ATOM 247 CE1 PHE 31 -8.705 8.371 -2.485 1.00 0.00 ATOM 248 CE2 PHE 31 -7.143 8.398 -0.633 1.00 0.00 ATOM 249 CZ PHE 31 -8.094 9.051 -1.426 1.00 0.00 ATOM 250 O PHE 31 -4.561 6.384 -4.269 1.00 0.00 ATOM 251 C PHE 31 -4.963 5.626 -3.395 1.00 0.00 ATOM 252 N LEU 32 -4.293 5.412 -2.272 1.00 0.00 ATOM 253 CA LEU 32 -3.020 6.083 -2.013 1.00 0.00 ATOM 254 CB LEU 32 -2.297 5.346 -0.872 1.00 0.00 ATOM 255 CG LEU 32 -0.995 4.710 -1.282 1.00 0.00 ATOM 256 CD1 LEU 32 -0.050 4.689 -0.055 1.00 0.00 ATOM 257 CD2 LEU 32 -1.317 3.285 -1.729 1.00 0.00 ATOM 258 O LEU 32 -1.316 7.060 -3.398 1.00 0.00 ATOM 259 C LEU 32 -2.190 6.200 -3.297 1.00 0.00 ATOM 260 N LYS 33 -2.507 5.375 -4.297 1.00 0.00 ATOM 261 CA LYS 33 -1.817 5.456 -5.582 1.00 0.00 ATOM 262 CB LYS 33 -2.058 4.170 -6.392 1.00 0.00 ATOM 263 CG LYS 33 -1.742 4.382 -7.877 1.00 0.00 ATOM 264 CD LYS 33 -2.117 3.114 -8.652 1.00 0.00 ATOM 265 CE LYS 33 -1.319 1.919 -8.119 1.00 0.00 ATOM 266 NZ LYS 33 -1.167 0.903 -9.197 1.00 0.00 ATOM 267 O LYS 33 -1.635 7.370 -7.033 1.00 0.00 ATOM 268 C LYS 33 -2.363 6.662 -6.338 1.00 0.00 ATOM 269 N THR 34 -3.664 6.874 -6.181 1.00 0.00 ATOM 270 CA THR 34 -4.359 7.980 -6.825 1.00 0.00 ATOM 271 CB THR 34 -5.858 7.850 -6.556 1.00 0.00 ATOM 272 CG2 THR 34 -6.173 8.227 -5.100 1.00 0.00 ATOM 273 OG1 THR 34 -6.571 8.709 -7.436 1.00 0.00 ATOM 274 O THR 34 -3.554 10.225 -7.097 1.00 0.00 ATOM 275 C THR 34 -3.872 9.330 -6.312 1.00 0.00 ATOM 276 N GLU 35 -3.826 9.480 -4.993 1.00 0.00 ATOM 277 CA GLU 35 -3.389 10.736 -4.396 1.00 0.00 ATOM 278 CB GLU 35 -3.977 10.885 -2.987 1.00 0.00 ATOM 279 CG GLU 35 -3.259 9.947 -2.001 1.00 0.00 ATOM 280 CD GLU 35 -2.304 10.745 -1.115 1.00 0.00 ATOM 281 OE1 GLU 35 -2.705 11.103 -0.019 1.00 0.00 ATOM 282 OE2 GLU 35 -1.189 10.989 -1.545 1.00 0.00 ATOM 283 O GLU 35 -1.289 11.693 -3.743 1.00 0.00 ATOM 284 C GLU 35 -1.872 10.789 -4.341 1.00 0.00 ATOM 285 N PHE 36 -1.241 9.808 -4.971 1.00 0.00 ATOM 286 CA PHE 36 0.214 9.742 -4.991 1.00 0.00 ATOM 287 CB PHE 36 0.791 11.036 -5.606 1.00 0.00 ATOM 288 CG PHE 36 1.704 11.743 -4.627 1.00 0.00 ATOM 289 CD1 PHE 36 1.288 12.932 -4.016 1.00 0.00 ATOM 290 CD2 PHE 36 2.963 11.207 -4.331 1.00 0.00 ATOM 291 CE1 PHE 36 2.131 13.586 -3.110 1.00 0.00 ATOM 292 CE2 PHE 36 3.806 11.860 -3.425 1.00 0.00 ATOM 293 CZ PHE 36 3.391 13.050 -2.814 1.00 0.00 ATOM 294 O PHE 36 0.943 10.438 -2.797 1.00 0.00 ATOM 295 C PHE 36 0.743 9.503 -3.574 1.00 0.00 ATOM 296 N SER 37 0.948 8.235 -3.248 1.00 0.00 ATOM 297 CA SER 37 1.440 7.850 -1.930 1.00 0.00 ATOM 298 CB SER 37 0.408 8.215 -0.861 1.00 0.00 ATOM 299 OG SER 37 0.925 7.893 0.424 1.00 0.00 ATOM 300 O SER 37 2.228 5.793 -0.934 1.00 0.00 ATOM 301 C SER 37 1.695 6.350 -1.906 1.00 0.00 ATOM 302 N GLU 38 1.303 5.686 -2.983 1.00 0.00 ATOM 303 CA GLU 38 1.491 4.256 -3.051 1.00 0.00 ATOM 304 CB GLU 38 1.070 3.690 -4.406 1.00 0.00 ATOM 305 CG GLU 38 1.590 4.578 -5.548 1.00 0.00 ATOM 306 CD GLU 38 3.034 4.219 -5.888 1.00 0.00 ATOM 307 OE1 GLU 38 3.538 3.263 -5.324 1.00 0.00 ATOM 308 OE2 GLU 38 3.614 4.908 -6.711 1.00 0.00 ATOM 309 O GLU 38 3.238 3.047 -1.994 1.00 0.00 ATOM 310 C GLU 38 2.935 3.930 -2.785 1.00 0.00 ATOM 311 N GLU 39 3.830 4.664 -3.428 1.00 0.00 ATOM 312 CA GLU 39 5.248 4.445 -3.222 1.00 0.00 ATOM 313 CB GLU 39 6.031 5.689 -3.645 1.00 0.00 ATOM 314 CG GLU 39 5.347 6.947 -3.094 1.00 0.00 ATOM 315 CD GLU 39 4.317 7.464 -4.095 1.00 0.00 ATOM 316 OE1 GLU 39 3.143 7.207 -3.895 1.00 0.00 ATOM 317 OE2 GLU 39 4.721 8.110 -5.048 1.00 0.00 ATOM 318 O GLU 39 6.435 3.447 -1.393 1.00 0.00 ATOM 319 C GLU 39 5.493 4.150 -1.750 1.00 0.00 ATOM 320 N ASN 40 4.607 4.682 -0.908 1.00 0.00 ATOM 321 CA ASN 40 4.691 4.467 0.527 1.00 0.00 ATOM 322 CB ASN 40 3.873 5.531 1.263 1.00 0.00 ATOM 323 CG ASN 40 4.123 6.900 0.639 1.00 0.00 ATOM 324 ND2 ASN 40 5.305 7.184 0.163 1.00 0.00 ATOM 325 OD1 ASN 40 3.221 7.733 0.586 1.00 0.00 ATOM 326 O ASN 40 4.840 2.274 1.532 1.00 0.00 ATOM 327 C ASN 40 4.165 3.075 0.870 1.00 0.00 ATOM 328 N ILE 41 2.969 2.756 0.399 1.00 0.00 ATOM 329 CA ILE 41 2.441 1.429 0.680 1.00 0.00 ATOM 330 CB ILE 41 0.959 1.316 0.278 1.00 0.00 ATOM 331 CG1 ILE 41 0.263 0.381 1.253 1.00 0.00 ATOM 332 CG2 ILE 41 0.796 0.774 -1.135 1.00 0.00 ATOM 333 CD1 ILE 41 -1.219 0.293 0.943 1.00 0.00 ATOM 334 O ILE 41 3.556 -0.696 0.490 1.00 0.00 ATOM 335 C ILE 41 3.312 0.398 -0.025 1.00 0.00 ATOM 336 N GLU 42 3.824 0.786 -1.182 1.00 0.00 ATOM 337 CA GLU 42 4.711 -0.069 -1.937 1.00 0.00 ATOM 338 CB GLU 42 4.728 0.364 -3.396 1.00 0.00 ATOM 339 CG GLU 42 3.396 -0.033 -4.019 1.00 0.00 ATOM 340 CD GLU 42 3.190 0.686 -5.347 1.00 0.00 ATOM 341 OE1 GLU 42 4.178 1.098 -5.934 1.00 0.00 ATOM 342 OE2 GLU 42 2.049 0.810 -5.761 1.00 0.00 ATOM 343 O GLU 42 6.961 -0.829 -1.574 1.00 0.00 ATOM 344 C GLU 42 6.098 0.012 -1.335 1.00 0.00 ATOM 345 N PHE 43 6.280 1.036 -0.524 1.00 0.00 ATOM 346 CA PHE 43 7.530 1.255 0.161 1.00 0.00 ATOM 347 CB PHE 43 7.357 2.458 1.068 1.00 0.00 ATOM 348 CG PHE 43 8.364 2.469 2.168 1.00 0.00 ATOM 349 CD1 PHE 43 8.019 2.094 3.473 1.00 0.00 ATOM 350 CD2 PHE 43 9.630 2.938 1.892 1.00 0.00 ATOM 351 CE1 PHE 43 8.964 2.209 4.480 1.00 0.00 ATOM 352 CE2 PHE 43 10.570 3.036 2.892 1.00 0.00 ATOM 353 CZ PHE 43 10.235 2.679 4.189 1.00 0.00 ATOM 354 O PHE 43 8.958 -0.558 0.820 1.00 0.00 ATOM 355 C PHE 43 7.885 0.041 0.987 1.00 0.00 ATOM 356 N TRP 44 6.982 -0.348 1.882 1.00 0.00 ATOM 357 CA TRP 44 7.288 -1.517 2.695 1.00 0.00 ATOM 358 CB TRP 44 6.658 -1.469 4.093 1.00 0.00 ATOM 359 CG TRP 44 5.261 -0.968 4.070 1.00 0.00 ATOM 360 CD1 TRP 44 4.859 0.198 4.622 1.00 0.00 ATOM 361 CD2 TRP 44 4.074 -1.598 3.524 1.00 0.00 ATOM 362 CE2 TRP 44 2.976 -0.748 3.760 1.00 0.00 ATOM 363 CE3 TRP 44 3.844 -2.807 2.846 1.00 0.00 ATOM 364 NE1 TRP 44 3.504 0.333 4.443 1.00 0.00 ATOM 365 CZ2 TRP 44 1.703 -1.089 3.334 1.00 0.00 ATOM 366 CZ3 TRP 44 2.559 -3.150 2.418 1.00 0.00 ATOM 367 CH2 TRP 44 1.492 -2.294 2.658 1.00 0.00 ATOM 368 O TRP 44 7.411 -3.864 2.269 1.00 0.00 ATOM 369 C TRP 44 6.913 -2.785 1.951 1.00 0.00 ATOM 370 N ILE 45 6.077 -2.655 0.925 1.00 0.00 ATOM 371 CA ILE 45 5.722 -3.824 0.135 1.00 0.00 ATOM 372 CB ILE 45 4.681 -3.460 -0.944 1.00 0.00 ATOM 373 CG1 ILE 45 3.591 -4.541 -1.023 1.00 0.00 ATOM 374 CG2 ILE 45 5.336 -3.315 -2.324 1.00 0.00 ATOM 375 CD1 ILE 45 2.303 -3.925 -1.579 1.00 0.00 ATOM 376 O ILE 45 7.128 -5.578 -0.714 1.00 0.00 ATOM 377 C ILE 45 7.010 -4.379 -0.460 1.00 0.00 ATOM 378 N ALA 46 8.006 -3.496 -0.605 1.00 0.00 ATOM 379 CA ALA 46 9.316 -3.915 -1.084 1.00 0.00 ATOM 380 CB ALA 46 10.144 -2.732 -1.617 1.00 0.00 ATOM 381 O ALA 46 10.403 -5.697 0.082 1.00 0.00 ATOM 382 C ALA 46 10.047 -4.523 0.096 1.00 0.00 ATOM 383 N CYS 47 10.240 -3.702 1.130 1.00 0.00 ATOM 384 CA CYS 47 10.914 -4.153 2.346 1.00 0.00 ATOM 385 CB CYS 47 10.499 -3.277 3.522 1.00 0.00 ATOM 386 SG CYS 47 11.059 -1.579 3.244 1.00 0.00 ATOM 387 O CYS 47 11.401 -6.400 3.036 1.00 0.00 ATOM 388 C CYS 47 10.547 -5.599 2.668 1.00 0.00 ATOM 389 N GLU 48 9.270 -5.928 2.538 1.00 0.00 ATOM 390 CA GLU 48 8.824 -7.283 2.834 1.00 0.00 ATOM 391 CB GLU 48 7.333 -7.293 3.171 1.00 0.00 ATOM 392 CG GLU 48 7.037 -6.242 4.246 1.00 0.00 ATOM 393 CD GLU 48 7.491 -6.750 5.610 1.00 0.00 ATOM 394 OE1 GLU 48 8.613 -6.454 5.988 1.00 0.00 ATOM 395 OE2 GLU 48 6.710 -7.428 6.259 1.00 0.00 ATOM 396 O GLU 48 9.769 -9.219 1.778 1.00 0.00 ATOM 397 C GLU 48 9.095 -8.198 1.645 1.00 0.00 ATOM 398 N ASP 49 8.587 -7.821 0.478 1.00 0.00 ATOM 399 CA ASP 49 8.808 -8.621 -0.717 1.00 0.00 ATOM 400 CB ASP 49 8.289 -7.882 -1.951 1.00 0.00 ATOM 401 CG ASP 49 8.474 -8.748 -3.193 1.00 0.00 ATOM 402 OD1 ASP 49 7.782 -9.747 -3.304 1.00 0.00 ATOM 403 OD2 ASP 49 9.306 -8.400 -4.014 1.00 0.00 ATOM 404 O ASP 49 10.702 -9.852 -1.539 1.00 0.00 ATOM 405 C ASP 49 10.298 -8.900 -0.872 1.00 0.00 ATOM 406 N PHE 50 11.108 -8.049 -0.248 1.00 0.00 ATOM 407 CA PHE 50 12.553 -8.183 -0.308 1.00 0.00 ATOM 408 CB PHE 50 13.170 -6.795 -0.120 1.00 0.00 ATOM 409 CG PHE 50 14.378 -6.831 0.785 1.00 0.00 ATOM 410 CD1 PHE 50 14.222 -6.878 2.174 1.00 0.00 ATOM 411 CD2 PHE 50 15.654 -6.774 0.236 1.00 0.00 ATOM 412 CE1 PHE 50 15.347 -6.868 2.998 1.00 0.00 ATOM 413 CE2 PHE 50 16.765 -6.772 1.049 1.00 0.00 ATOM 414 CZ PHE 50 16.617 -6.816 2.428 1.00 0.00 ATOM 415 O PHE 50 14.005 -9.900 0.518 1.00 0.00 ATOM 416 C PHE 50 13.055 -9.157 0.754 1.00 0.00 ATOM 417 N LYS 51 12.422 -9.154 1.922 1.00 0.00 ATOM 418 CA LYS 51 12.843 -10.055 2.984 1.00 0.00 ATOM 419 CB LYS 51 12.036 -9.791 4.269 1.00 0.00 ATOM 420 CG LYS 51 10.700 -10.560 4.259 1.00 0.00 ATOM 421 CD LYS 51 10.838 -11.865 5.054 1.00 0.00 ATOM 422 CE LYS 51 9.467 -12.534 5.180 1.00 0.00 ATOM 423 NZ LYS 51 8.689 -12.316 3.927 1.00 0.00 ATOM 424 O LYS 51 13.458 -12.380 2.966 1.00 0.00 ATOM 425 C LYS 51 12.701 -11.511 2.536 1.00 0.00 ATOM 426 N LYS 52 11.736 -11.776 1.660 1.00 0.00 ATOM 427 CA LYS 52 11.531 -13.133 1.168 1.00 0.00 ATOM 428 CB LYS 52 10.112 -13.297 0.617 1.00 0.00 ATOM 429 CG LYS 52 9.832 -12.210 -0.426 1.00 0.00 ATOM 430 CD LYS 52 8.526 -12.526 -1.180 1.00 0.00 ATOM 431 CE LYS 52 8.773 -12.475 -2.691 1.00 0.00 ATOM 432 NZ LYS 52 9.626 -13.629 -3.095 1.00 0.00 ATOM 433 O LYS 52 12.365 -14.411 -0.687 1.00 0.00 ATOM 434 C LYS 52 12.545 -13.463 0.077 1.00 0.00 ATOM 435 N SER 53 13.614 -12.672 0.012 1.00 0.00 ATOM 436 CA SER 53 14.653 -12.888 -0.989 1.00 0.00 ATOM 437 CB SER 53 15.759 -11.845 -0.830 1.00 0.00 ATOM 438 OG SER 53 16.285 -11.913 0.489 1.00 0.00 ATOM 439 O SER 53 14.650 -15.162 -0.222 1.00 0.00 ATOM 440 C SER 53 15.244 -14.288 -0.853 1.00 0.00 ATOM 441 N LYS 54 16.414 -14.498 -1.450 1.00 0.00 ATOM 442 CA LYS 54 17.065 -15.801 -1.388 1.00 0.00 ATOM 443 CB LYS 54 18.044 -15.963 -2.557 1.00 0.00 ATOM 444 CG LYS 54 19.277 -15.067 -2.346 1.00 0.00 ATOM 445 CD LYS 54 20.415 -15.860 -1.679 1.00 0.00 ATOM 446 CE LYS 54 21.340 -16.438 -2.754 1.00 0.00 ATOM 447 NZ LYS 54 20.520 -17.075 -3.824 1.00 0.00 ATOM 448 O LYS 54 17.503 -16.904 0.696 1.00 0.00 ATOM 449 C LYS 54 17.802 -15.983 -0.064 1.00 0.00 ATOM 450 N GLY 55 18.777 -15.115 0.207 1.00 0.00 ATOM 451 CA GLY 55 19.543 -15.230 1.441 1.00 0.00 ATOM 452 O GLY 55 19.968 -12.870 1.274 1.00 0.00 ATOM 453 C GLY 55 20.302 -13.943 1.772 1.00 0.00 ATOM 454 N PRO 56 21.304 -14.039 2.614 1.00 0.00 ATOM 455 CA PRO 56 22.124 -12.868 3.050 1.00 0.00 ATOM 456 CB PRO 56 23.036 -13.437 4.144 1.00 0.00 ATOM 457 CG PRO 56 23.095 -14.905 3.888 1.00 0.00 ATOM 458 CD PRO 56 21.766 -15.284 3.239 1.00 0.00 ATOM 459 O PRO 56 23.736 -11.352 2.115 1.00 0.00 ATOM 460 C PRO 56 22.942 -12.271 1.908 1.00 0.00 ATOM 461 N GLN 57 22.747 -12.800 0.705 1.00 0.00 ATOM 462 CA GLN 57 23.479 -12.309 -0.464 1.00 0.00 ATOM 463 CB GLN 57 23.877 -13.480 -1.365 1.00 0.00 ATOM 464 CG GLN 57 25.072 -14.217 -0.756 1.00 0.00 ATOM 465 CD GLN 57 26.328 -13.361 -0.878 1.00 0.00 ATOM 466 OE1 GLN 57 26.873 -13.210 -1.972 1.00 0.00 ATOM 467 NE2 GLN 57 26.825 -12.789 0.185 1.00 0.00 ATOM 468 O GLN 57 23.112 -10.257 -1.658 1.00 0.00 ATOM 469 C GLN 57 22.636 -11.323 -1.270 1.00 0.00 ATOM 470 N GLN 58 21.391 -11.698 -1.532 1.00 0.00 ATOM 471 CA GLN 58 20.492 -10.851 -2.311 1.00 0.00 ATOM 472 CB GLN 58 19.234 -11.638 -2.671 1.00 0.00 ATOM 473 CG GLN 58 18.288 -10.769 -3.507 1.00 0.00 ATOM 474 CD GLN 58 18.953 -10.395 -4.827 1.00 0.00 ATOM 475 OE1 GLN 58 19.608 -11.231 -5.451 1.00 0.00 ATOM 476 NE2 GLN 58 18.826 -9.182 -5.291 1.00 0.00 ATOM 477 O GLN 58 19.814 -8.562 -2.129 1.00 0.00 ATOM 478 C GLN 58 20.106 -9.601 -1.539 1.00 0.00 ATOM 479 N ILE 59 20.092 -9.703 -0.225 1.00 0.00 ATOM 480 CA ILE 59 19.727 -8.574 0.602 1.00 0.00 ATOM 481 CB ILE 59 20.235 -8.768 2.019 1.00 0.00 ATOM 482 CG1 ILE 59 20.058 -10.231 2.448 1.00 0.00 ATOM 483 CG2 ILE 59 19.425 -7.849 2.913 1.00 0.00 ATOM 484 CD1 ILE 59 18.677 -10.759 2.049 1.00 0.00 ATOM 485 O ILE 59 19.573 -6.521 -0.612 1.00 0.00 ATOM 486 C ILE 59 20.283 -7.268 0.040 1.00 0.00 ATOM 487 N HIS 60 21.554 -6.994 0.303 1.00 0.00 ATOM 488 CA HIS 60 22.171 -5.760 -0.171 1.00 0.00 ATOM 489 CB HIS 60 23.706 -5.878 -0.168 1.00 0.00 ATOM 490 CG HIS 60 24.149 -6.987 0.752 1.00 0.00 ATOM 491 CD2 HIS 60 23.812 -8.318 0.823 1.00 0.00 ATOM 492 ND1 HIS 60 25.085 -6.781 1.754 1.00 0.00 ATOM 493 CE1 HIS 60 25.276 -7.958 2.380 1.00 0.00 ATOM 494 NE2 HIS 60 24.524 -8.927 1.851 1.00 0.00 ATOM 495 O HIS 60 21.192 -4.327 -1.821 1.00 0.00 ATOM 496 C HIS 60 21.691 -5.420 -1.572 1.00 0.00 ATOM 497 N LEU 61 21.838 -6.362 -2.480 1.00 0.00 ATOM 498 CA LEU 61 21.404 -6.144 -3.848 1.00 0.00 ATOM 499 CB LEU 61 21.322 -7.480 -4.577 1.00 0.00 ATOM 500 CG LEU 61 22.679 -8.182 -4.536 1.00 0.00 ATOM 501 CD1 LEU 61 22.533 -9.601 -5.101 1.00 0.00 ATOM 502 CD2 LEU 61 23.694 -7.387 -5.366 1.00 0.00 ATOM 503 O LEU 61 19.856 -4.333 -4.206 1.00 0.00 ATOM 504 C LEU 61 20.025 -5.507 -3.865 1.00 0.00 ATOM 505 N LYS 62 19.045 -6.314 -3.504 1.00 0.00 ATOM 506 CA LYS 62 17.657 -5.869 -3.485 1.00 0.00 ATOM 507 CB LYS 62 16.758 -7.052 -3.126 1.00 0.00 ATOM 508 CG LYS 62 15.282 -6.657 -3.279 1.00 0.00 ATOM 509 CD LYS 62 14.926 -6.516 -4.765 1.00 0.00 ATOM 510 CE LYS 62 13.417 -6.692 -4.950 1.00 0.00 ATOM 511 NZ LYS 62 12.697 -5.967 -3.866 1.00 0.00 ATOM 512 O LYS 62 16.791 -3.721 -2.849 1.00 0.00 ATOM 513 C LYS 62 17.442 -4.706 -2.505 1.00 0.00 ATOM 514 N ALA 63 17.989 -4.811 -1.293 1.00 0.00 ATOM 515 CA ALA 63 17.837 -3.740 -0.310 1.00 0.00 ATOM 516 CB ALA 63 18.512 -4.099 1.023 1.00 0.00 ATOM 517 O ALA 63 17.757 -1.465 -1.043 1.00 0.00 ATOM 518 C ALA 63 18.448 -2.460 -0.855 1.00 0.00 ATOM 519 N LYS 64 19.749 -2.497 -1.119 1.00 0.00 ATOM 520 CA LYS 64 20.431 -1.325 -1.652 1.00 0.00 ATOM 521 CB LYS 64 21.771 -1.716 -2.282 1.00 0.00 ATOM 522 CG LYS 64 22.605 -0.453 -2.546 1.00 0.00 ATOM 523 CD LYS 64 23.488 -0.144 -1.325 1.00 0.00 ATOM 524 CE LYS 64 23.636 1.371 -1.156 1.00 0.00 ATOM 525 NZ LYS 64 24.892 1.667 -0.411 1.00 0.00 ATOM 526 O LYS 64 19.516 0.574 -2.807 1.00 0.00 ATOM 527 C LYS 64 19.542 -0.656 -2.687 1.00 0.00 ATOM 528 N ALA 65 18.766 -1.471 -3.398 1.00 0.00 ATOM 529 CA ALA 65 17.842 -0.924 -4.376 1.00 0.00 ATOM 530 CB ALA 65 17.267 -2.021 -5.276 1.00 0.00 ATOM 531 O ALA 65 16.532 0.946 -3.679 1.00 0.00 ATOM 532 C ALA 65 16.719 -0.266 -3.615 1.00 0.00 ATOM 533 N ILE 66 16.008 -1.084 -2.850 1.00 0.00 ATOM 534 CA ILE 66 14.928 -0.588 -2.029 1.00 0.00 ATOM 535 CB ILE 66 14.625 -1.596 -0.937 1.00 0.00 ATOM 536 CG1 ILE 66 13.887 -2.772 -1.565 1.00 0.00 ATOM 537 CG2 ILE 66 13.772 -0.932 0.146 1.00 0.00 ATOM 538 CD1 ILE 66 13.553 -3.811 -0.501 1.00 0.00 ATOM 539 O ILE 66 14.824 1.769 -1.637 1.00 0.00 ATOM 540 C ILE 66 15.373 0.696 -1.393 1.00 0.00 ATOM 541 N TYR 67 16.407 0.554 -0.587 1.00 0.00 ATOM 542 CA TYR 67 17.000 1.671 0.091 1.00 0.00 ATOM 543 CB TYR 67 18.494 1.417 0.215 1.00 0.00 ATOM 544 CG TYR 67 19.182 2.646 0.700 1.00 0.00 ATOM 545 CD1 TYR 67 18.682 3.305 1.802 1.00 0.00 ATOM 546 CD2 TYR 67 20.288 3.144 0.016 1.00 0.00 ATOM 547 CE1 TYR 67 19.278 4.485 2.241 1.00 0.00 ATOM 548 CE2 TYR 67 20.904 4.314 0.451 1.00 0.00 ATOM 549 CZ TYR 67 20.398 4.993 1.564 1.00 0.00 ATOM 550 OH TYR 67 20.995 6.160 1.982 1.00 0.00 ATOM 551 O TYR 67 15.828 3.683 -0.443 1.00 0.00 ATOM 552 C TYR 67 16.757 2.921 -0.714 1.00 0.00 ATOM 553 N GLU 68 17.559 3.101 -1.743 1.00 0.00 ATOM 554 CA GLU 68 17.367 4.242 -2.598 1.00 0.00 ATOM 555 CB GLU 68 18.276 4.144 -3.818 1.00 0.00 ATOM 556 CG GLU 68 19.711 3.863 -3.368 1.00 0.00 ATOM 557 CD GLU 68 20.657 3.937 -4.561 1.00 0.00 ATOM 558 OE1 GLU 68 20.296 4.572 -5.540 1.00 0.00 ATOM 559 OE2 GLU 68 21.728 3.359 -4.481 1.00 0.00 ATOM 560 O GLU 68 15.160 5.169 -2.686 1.00 0.00 ATOM 561 C GLU 68 15.913 4.268 -3.040 1.00 0.00 ATOM 562 N LYS 69 15.547 3.237 -3.795 1.00 0.00 ATOM 563 CA LYS 69 14.192 3.064 -4.322 1.00 0.00 ATOM 564 CB LYS 69 13.847 1.565 -4.354 1.00 0.00 ATOM 565 CG LYS 69 12.697 1.297 -5.334 1.00 0.00 ATOM 566 CD LYS 69 13.182 0.379 -6.462 1.00 0.00 ATOM 567 CE LYS 69 11.984 -0.116 -7.276 1.00 0.00 ATOM 568 NZ LYS 69 10.923 0.928 -7.285 1.00 0.00 ATOM 569 O LYS 69 12.086 4.193 -4.030 1.00 0.00 ATOM 570 C LYS 69 13.128 3.804 -3.495 1.00 0.00 ATOM 571 N PHE 70 13.377 3.987 -2.196 1.00 0.00 ATOM 572 CA PHE 70 12.406 4.660 -1.326 1.00 0.00 ATOM 573 CB PHE 70 11.502 3.627 -0.658 1.00 0.00 ATOM 574 CG PHE 70 10.953 2.607 -1.620 1.00 0.00 ATOM 575 CD1 PHE 70 11.626 1.403 -1.817 1.00 0.00 ATOM 576 CD2 PHE 70 9.737 2.845 -2.267 1.00 0.00 ATOM 577 CE1 PHE 70 11.087 0.429 -2.665 1.00 0.00 ATOM 578 CE2 PHE 70 9.199 1.878 -3.124 1.00 0.00 ATOM 579 CZ PHE 70 9.874 0.669 -3.323 1.00 0.00 ATOM 580 O PHE 70 13.019 6.677 -0.127 1.00 0.00 ATOM 581 C PHE 70 13.095 5.441 -0.200 1.00 0.00 ATOM 582 N ILE 71 13.729 4.674 0.687 1.00 0.00 ATOM 583 CA ILE 71 14.434 5.206 1.856 1.00 0.00 ATOM 584 CB ILE 71 15.507 4.200 2.315 1.00 0.00 ATOM 585 CG1 ILE 71 14.909 2.803 2.469 1.00 0.00 ATOM 586 CG2 ILE 71 16.136 4.595 3.651 1.00 0.00 ATOM 587 CD1 ILE 71 13.967 2.715 3.682 1.00 0.00 ATOM 588 O ILE 71 15.225 7.412 2.346 1.00 0.00 ATOM 589 C ILE 71 15.097 6.525 1.503 1.00 0.00 ATOM 590 N GLN 72 15.513 6.655 0.247 1.00 0.00 ATOM 591 CA GLN 72 16.150 7.884 -0.188 1.00 0.00 ATOM 592 CB GLN 72 16.859 7.671 -1.520 1.00 0.00 ATOM 593 CG GLN 72 17.068 9.005 -2.237 1.00 0.00 ATOM 594 CD GLN 72 17.741 10.011 -1.308 1.00 0.00 ATOM 595 OE1 GLN 72 18.378 9.627 -0.328 1.00 0.00 ATOM 596 NE2 GLN 72 17.645 11.287 -1.565 1.00 0.00 ATOM 597 O GLN 72 13.974 8.755 -0.740 1.00 0.00 ATOM 598 C GLN 72 15.105 8.983 -0.305 1.00 0.00 ATOM 599 N THR 73 15.493 10.169 0.099 1.00 0.00 ATOM 600 CA THR 73 14.589 11.311 0.071 1.00 0.00 ATOM 601 CB THR 73 15.282 12.548 0.625 1.00 0.00 ATOM 602 CG2 THR 73 14.463 13.776 0.234 1.00 0.00 ATOM 603 OG1 THR 73 15.367 12.454 2.040 1.00 0.00 ATOM 604 O THR 73 12.893 11.714 -1.567 1.00 0.00 ATOM 605 C THR 73 14.094 11.616 -1.337 1.00 0.00 ATOM 606 N ASP 74 15.020 11.798 -2.266 1.00 0.00 ATOM 607 CA ASP 74 14.652 12.116 -3.640 1.00 0.00 ATOM 608 CB ASP 74 15.602 13.172 -4.210 1.00 0.00 ATOM 609 CG ASP 74 15.183 13.537 -5.630 1.00 0.00 ATOM 610 OD1 ASP 74 16.020 14.037 -6.362 1.00 0.00 ATOM 611 OD2 ASP 74 14.032 13.311 -5.964 1.00 0.00 ATOM 612 O ASP 74 15.107 10.906 -5.656 1.00 0.00 ATOM 613 C ASP 74 14.708 10.864 -4.493 1.00 0.00 ATOM 614 N ALA 75 14.318 9.744 -3.900 1.00 0.00 ATOM 615 CA ALA 75 14.345 8.475 -4.621 1.00 0.00 ATOM 616 CB ALA 75 14.174 7.308 -3.647 1.00 0.00 ATOM 617 O ALA 75 12.411 9.316 -5.774 1.00 0.00 ATOM 618 C ALA 75 13.249 8.418 -5.682 1.00 0.00 ATOM 619 N PRO 76 13.233 7.368 -6.465 1.00 0.00 ATOM 620 CA PRO 76 12.207 7.174 -7.531 1.00 0.00 ATOM 621 CB PRO 76 12.543 5.801 -8.126 1.00 0.00 ATOM 622 CG PRO 76 13.965 5.545 -7.754 1.00 0.00 ATOM 623 CD PRO 76 14.180 6.246 -6.419 1.00 0.00 ATOM 624 O PRO 76 9.870 7.715 -7.471 1.00 0.00 ATOM 625 C PRO 76 10.821 7.156 -6.925 1.00 0.00 ATOM 626 N LYS 77 10.734 6.499 -5.779 1.00 0.00 ATOM 627 CA LYS 77 9.484 6.385 -5.060 1.00 0.00 ATOM 628 CB LYS 77 8.996 4.932 -5.117 1.00 0.00 ATOM 629 CG LYS 77 9.625 4.218 -6.322 1.00 0.00 ATOM 630 CD LYS 77 8.820 2.955 -6.663 1.00 0.00 ATOM 631 CE LYS 77 8.976 2.632 -8.152 1.00 0.00 ATOM 632 NZ LYS 77 10.371 2.930 -8.582 1.00 0.00 ATOM 633 O LYS 77 9.215 6.262 -2.665 1.00 0.00 ATOM 634 C LYS 77 9.719 6.844 -3.626 1.00 0.00 ATOM 635 N GLU 78 10.523 7.900 -3.522 1.00 0.00 ATOM 636 CA GLU 78 10.900 8.499 -2.245 1.00 0.00 ATOM 637 CB GLU 78 11.166 9.988 -2.458 1.00 0.00 ATOM 638 CG GLU 78 10.190 10.533 -3.500 1.00 0.00 ATOM 639 CD GLU 78 10.261 12.055 -3.538 1.00 0.00 ATOM 640 OE1 GLU 78 10.393 12.649 -2.480 1.00 0.00 ATOM 641 OE2 GLU 78 10.183 12.607 -4.624 1.00 0.00 ATOM 642 O GLU 78 8.652 8.149 -1.456 1.00 0.00 ATOM 643 C GLU 78 9.836 8.322 -1.167 1.00 0.00 ATOM 644 N VAL 79 10.291 8.364 0.085 1.00 0.00 ATOM 645 CA VAL 79 9.401 8.205 1.241 1.00 0.00 ATOM 646 CB VAL 79 9.894 7.009 2.072 1.00 0.00 ATOM 647 CG1 VAL 79 8.853 6.482 3.016 1.00 0.00 ATOM 648 CG2 VAL 79 10.269 5.869 1.146 1.00 0.00 ATOM 649 O VAL 79 10.170 10.402 1.854 1.00 0.00 ATOM 650 C VAL 79 9.418 9.461 2.107 1.00 0.00 ATOM 651 N ASN 80 8.610 9.435 3.155 1.00 0.00 ATOM 652 CA ASN 80 8.542 10.539 4.113 1.00 0.00 ATOM 653 CB ASN 80 7.100 11.042 4.290 1.00 0.00 ATOM 654 CG ASN 80 6.234 10.598 3.115 1.00 0.00 ATOM 655 ND2 ASN 80 6.774 10.436 1.940 1.00 0.00 ATOM 656 OD1 ASN 80 5.029 10.400 3.273 1.00 0.00 ATOM 657 O ASN 80 8.946 10.597 6.493 1.00 0.00 ATOM 658 C ASN 80 9.090 10.011 5.421 1.00 0.00 ATOM 659 N LEU 81 9.724 8.870 5.261 1.00 0.00 ATOM 660 CA LEU 81 10.355 8.126 6.332 1.00 0.00 ATOM 661 CB LEU 81 11.244 7.089 5.654 1.00 0.00 ATOM 662 CG LEU 81 12.109 6.311 6.648 1.00 0.00 ATOM 663 CD1 LEU 81 11.427 5.010 7.003 1.00 0.00 ATOM 664 CD2 LEU 81 13.440 5.970 5.985 1.00 0.00 ATOM 665 O LEU 81 11.794 9.999 6.776 1.00 0.00 ATOM 666 C LEU 81 11.175 9.040 7.239 1.00 0.00 ATOM 667 N ASP 82 11.180 8.728 8.532 1.00 0.00 ATOM 668 CA ASP 82 11.935 9.520 9.496 1.00 0.00 ATOM 669 CB ASP 82 11.677 9.012 10.915 1.00 0.00 ATOM 670 CG ASP 82 12.371 9.916 11.928 1.00 0.00 ATOM 671 OD1 ASP 82 13.355 10.537 11.562 1.00 0.00 ATOM 672 OD2 ASP 82 11.909 9.975 13.056 1.00 0.00 ATOM 673 O ASP 82 13.957 8.369 8.908 1.00 0.00 ATOM 674 C ASP 82 13.424 9.444 9.186 1.00 0.00 ATOM 675 N PHE 83 14.086 10.593 9.220 1.00 0.00 ATOM 676 CA PHE 83 15.512 10.657 8.925 1.00 0.00 ATOM 677 CB PHE 83 16.046 12.055 9.251 1.00 0.00 ATOM 678 CG PHE 83 17.297 12.325 8.448 1.00 0.00 ATOM 679 CD1 PHE 83 17.203 12.927 7.187 1.00 0.00 ATOM 680 CD2 PHE 83 18.549 11.972 8.964 1.00 0.00 ATOM 681 CE1 PHE 83 18.364 13.178 6.444 1.00 0.00 ATOM 682 CE2 PHE 83 19.708 12.221 8.220 1.00 0.00 ATOM 683 CZ PHE 83 19.616 12.824 6.960 1.00 0.00 ATOM 684 O PHE 83 17.257 9.039 9.214 1.00 0.00 ATOM 685 C PHE 83 16.296 9.618 9.719 1.00 0.00 ATOM 686 N HIS 84 15.895 9.397 10.962 1.00 0.00 ATOM 687 CA HIS 84 16.587 8.439 11.812 1.00 0.00 ATOM 688 CB HIS 84 15.877 8.321 13.158 1.00 0.00 ATOM 689 CG HIS 84 16.493 7.197 13.948 1.00 0.00 ATOM 690 CD2 HIS 84 16.212 5.855 14.005 1.00 0.00 ATOM 691 ND1 HIS 84 17.561 7.397 14.809 1.00 0.00 ATOM 692 CE1 HIS 84 17.881 6.203 15.340 1.00 0.00 ATOM 693 NE2 HIS 84 17.089 5.229 14.885 1.00 0.00 ATOM 694 O HIS 84 17.729 6.448 11.135 1.00 0.00 ATOM 695 C HIS 84 16.666 7.063 11.159 1.00 0.00 ATOM 696 N THR 85 15.548 6.569 10.640 1.00 0.00 ATOM 697 CA THR 85 15.555 5.253 10.016 1.00 0.00 ATOM 698 CB THR 85 14.142 4.822 9.614 1.00 0.00 ATOM 699 CG2 THR 85 14.169 3.364 9.117 1.00 0.00 ATOM 700 OG1 THR 85 13.281 4.925 10.739 1.00 0.00 ATOM 701 O THR 85 17.417 4.500 8.723 1.00 0.00 ATOM 702 C THR 85 16.445 5.252 8.788 1.00 0.00 ATOM 703 N LYS 86 16.119 6.090 7.809 1.00 0.00 ATOM 704 CA LYS 86 16.930 6.130 6.605 1.00 0.00 ATOM 705 CB LYS 86 16.461 7.202 5.614 1.00 0.00 ATOM 706 CG LYS 86 16.127 8.502 6.339 1.00 0.00 ATOM 707 CD LYS 86 15.550 9.500 5.325 1.00 0.00 ATOM 708 CE LYS 86 14.119 9.096 4.956 1.00 0.00 ATOM 709 NZ LYS 86 13.363 10.302 4.516 1.00 0.00 ATOM 710 O LYS 86 19.255 5.634 6.574 1.00 0.00 ATOM 711 C LYS 86 18.371 6.373 6.989 1.00 0.00 ATOM 712 N GLU 87 18.605 7.379 7.830 1.00 0.00 ATOM 713 CA GLU 87 19.957 7.659 8.282 1.00 0.00 ATOM 714 CB GLU 87 19.911 8.464 9.590 1.00 0.00 ATOM 715 CG GLU 87 21.251 8.361 10.331 1.00 0.00 ATOM 716 CD GLU 87 21.520 9.644 11.114 1.00 0.00 ATOM 717 OE1 GLU 87 22.262 10.473 10.615 1.00 0.00 ATOM 718 OE2 GLU 87 20.978 9.777 12.198 1.00 0.00 ATOM 719 O GLU 87 21.377 5.832 7.674 1.00 0.00 ATOM 720 C GLU 87 20.642 6.334 8.518 1.00 0.00 ATOM 721 N VAL 88 20.327 5.760 9.653 1.00 0.00 ATOM 722 CA VAL 88 20.838 4.463 10.035 1.00 0.00 ATOM 723 CB VAL 88 19.825 3.847 10.975 1.00 0.00 ATOM 724 CG1 VAL 88 20.294 2.461 11.394 1.00 0.00 ATOM 725 CG2 VAL 88 19.683 4.769 12.183 1.00 0.00 ATOM 726 O VAL 88 22.138 3.221 8.444 1.00 0.00 ATOM 727 C VAL 88 21.017 3.568 8.820 1.00 0.00 ATOM 728 N ILE 89 19.897 3.206 8.211 1.00 0.00 ATOM 729 CA ILE 89 19.924 2.358 7.032 1.00 0.00 ATOM 730 CB ILE 89 18.631 2.544 6.236 1.00 0.00 ATOM 731 CG1 ILE 89 17.526 1.629 6.788 1.00 0.00 ATOM 732 CG2 ILE 89 18.888 2.216 4.764 1.00 0.00 ATOM 733 CD1 ILE 89 16.168 2.339 6.685 1.00 0.00 ATOM 734 O ILE 89 22.003 1.931 5.908 1.00 0.00 ATOM 735 C ILE 89 21.106 2.733 6.148 1.00 0.00 ATOM 736 N THR 90 21.074 3.963 5.654 1.00 0.00 ATOM 737 CA THR 90 22.132 4.453 4.770 1.00 0.00 ATOM 738 CB THR 90 22.056 5.983 4.593 1.00 0.00 ATOM 739 CG2 THR 90 20.600 6.476 4.613 1.00 0.00 ATOM 740 OG1 THR 90 22.773 6.612 5.641 1.00 0.00 ATOM 741 O THR 90 24.467 3.950 4.555 1.00 0.00 ATOM 742 C THR 90 23.508 4.082 5.315 1.00 0.00 ATOM 743 N ASN 91 23.609 3.931 6.636 1.00 0.00 ATOM 744 CA ASN 91 24.891 3.596 7.258 1.00 0.00 ATOM 745 CB ASN 91 25.046 4.370 8.579 1.00 0.00 ATOM 746 CG ASN 91 23.888 5.350 8.725 1.00 0.00 ATOM 747 ND2 ASN 91 23.304 5.799 7.649 1.00 0.00 ATOM 748 OD1 ASN 91 23.524 5.728 9.837 1.00 0.00 ATOM 749 O ASN 91 26.002 1.590 7.969 1.00 0.00 ATOM 750 C ASN 91 24.980 2.096 7.505 1.00 0.00 ATOM 751 N SER 92 23.901 1.391 7.185 1.00 0.00 ATOM 752 CA SER 92 23.855 -0.054 7.366 1.00 0.00 ATOM 753 CB SER 92 22.969 -0.400 8.563 1.00 0.00 ATOM 754 OG SER 92 23.277 -1.713 9.012 1.00 0.00 ATOM 755 O SER 92 23.072 -1.945 6.116 1.00 0.00 ATOM 756 C SER 92 23.311 -0.737 6.115 1.00 0.00 ATOM 757 N ILE 93 23.117 0.035 5.047 1.00 0.00 ATOM 758 CA ILE 93 22.602 -0.534 3.809 1.00 0.00 ATOM 759 CB ILE 93 21.979 0.544 2.921 1.00 0.00 ATOM 760 CG1 ILE 93 21.186 -0.127 1.806 1.00 0.00 ATOM 761 CG2 ILE 93 23.053 1.421 2.301 1.00 0.00 ATOM 762 CD1 ILE 93 19.892 -0.687 2.373 1.00 0.00 ATOM 763 O ILE 93 23.447 -2.127 2.229 1.00 0.00 ATOM 764 C ILE 93 23.709 -1.264 3.064 1.00 0.00 ATOM 765 N THR 94 24.951 -0.930 3.388 1.00 0.00 ATOM 766 CA THR 94 26.088 -1.588 2.760 1.00 0.00 ATOM 767 CB THR 94 27.387 -0.872 3.140 1.00 0.00 ATOM 768 CG2 THR 94 27.410 -0.620 4.648 1.00 0.00 ATOM 769 OG1 THR 94 28.495 -1.683 2.775 1.00 0.00 ATOM 770 O THR 94 26.846 -3.869 2.635 1.00 0.00 ATOM 771 C THR 94 26.146 -3.043 3.221 1.00 0.00 ATOM 772 N GLN 95 25.391 -3.339 4.276 1.00 0.00 ATOM 773 CA GLN 95 25.331 -4.688 4.833 1.00 0.00 ATOM 774 CB GLN 95 26.492 -4.910 5.804 1.00 0.00 ATOM 775 CG GLN 95 27.815 -4.902 5.034 1.00 0.00 ATOM 776 CD GLN 95 28.926 -5.478 5.906 1.00 0.00 ATOM 777 OE1 GLN 95 30.052 -5.654 5.442 1.00 0.00 ATOM 778 NE2 GLN 95 28.673 -5.786 7.148 1.00 0.00 ATOM 779 O GLN 95 23.962 -4.914 6.798 1.00 0.00 ATOM 780 C GLN 95 24.006 -4.881 5.568 1.00 0.00 ATOM 781 N PRO 96 22.934 -4.984 4.831 1.00 0.00 ATOM 782 CA PRO 96 21.567 -5.148 5.394 1.00 0.00 ATOM 783 CB PRO 96 20.680 -4.579 4.288 1.00 0.00 ATOM 784 CG PRO 96 21.427 -4.789 3.010 1.00 0.00 ATOM 785 CD PRO 96 22.909 -4.951 3.365 1.00 0.00 ATOM 786 O PRO 96 22.092 -7.444 5.890 1.00 0.00 ATOM 787 C PRO 96 21.213 -6.605 5.702 1.00 0.00 ATOM 788 N THR 97 19.909 -6.886 5.768 1.00 0.00 ATOM 789 CA THR 97 19.432 -8.237 6.075 1.00 0.00 ATOM 790 CB THR 97 19.570 -8.494 7.569 1.00 0.00 ATOM 791 CG2 THR 97 19.624 -7.150 8.268 1.00 0.00 ATOM 792 OG1 THR 97 18.457 -9.236 8.049 1.00 0.00 ATOM 793 O THR 97 17.395 -7.599 4.970 1.00 0.00 ATOM 794 C THR 97 17.970 -8.406 5.693 1.00 0.00 ATOM 795 N LEU 98 17.384 -9.467 6.212 1.00 0.00 ATOM 796 CA LEU 98 15.984 -9.777 5.952 1.00 0.00 ATOM 797 CB LEU 98 15.710 -11.228 6.346 1.00 0.00 ATOM 798 CG LEU 98 15.251 -12.030 5.129 1.00 0.00 ATOM 799 CD1 LEU 98 16.390 -12.126 4.104 1.00 0.00 ATOM 800 CD2 LEU 98 14.842 -13.437 5.577 1.00 0.00 ATOM 801 O LEU 98 13.866 -9.062 6.811 1.00 0.00 ATOM 802 C LEU 98 15.074 -8.843 6.723 1.00 0.00 ATOM 803 N HIS 99 15.660 -7.801 7.276 1.00 0.00 ATOM 804 CA HIS 99 14.892 -6.832 8.033 1.00 0.00 ATOM 805 CB HIS 99 14.643 -7.370 9.440 1.00 0.00 ATOM 806 CG HIS 99 13.427 -8.258 9.422 1.00 0.00 ATOM 807 CD2 HIS 99 13.192 -9.506 9.939 1.00 0.00 ATOM 808 ND1 HIS 99 12.251 -7.883 8.788 1.00 0.00 ATOM 809 CE1 HIS 99 11.371 -8.889 8.936 1.00 0.00 ATOM 810 NE2 HIS 99 11.893 -9.904 9.631 1.00 0.00 ATOM 811 O HIS 99 15.600 -4.778 9.062 1.00 0.00 ATOM 812 C HIS 99 15.641 -5.513 8.075 1.00 0.00 ATOM 813 N SER 100 16.331 -5.233 6.978 1.00 0.00 ATOM 814 CA SER 100 17.111 -4.016 6.846 1.00 0.00 ATOM 815 CB SER 100 17.592 -3.880 5.409 1.00 0.00 ATOM 816 OG SER 100 18.646 -2.931 5.358 1.00 0.00 ATOM 817 O SER 100 16.558 -2.140 8.225 1.00 0.00 ATOM 818 C SER 100 16.298 -2.787 7.211 1.00 0.00 ATOM 819 N PHE 101 15.324 -2.452 6.368 1.00 0.00 ATOM 820 CA PHE 101 14.508 -1.277 6.621 1.00 0.00 ATOM 821 CB PHE 101 14.181 -0.529 5.317 1.00 0.00 ATOM 822 CG PHE 101 15.161 -0.859 4.218 1.00 0.00 ATOM 823 CD1 PHE 101 15.133 -2.082 3.508 1.00 0.00 ATOM 824 CD2 PHE 101 16.075 0.120 3.867 1.00 0.00 ATOM 825 CE1 PHE 101 16.023 -2.283 2.459 1.00 0.00 ATOM 826 CE2 PHE 101 16.971 -0.089 2.835 1.00 0.00 ATOM 827 CZ PHE 101 16.942 -1.289 2.125 1.00 0.00 ATOM 828 O PHE 101 12.231 -0.918 7.277 1.00 0.00 ATOM 829 C PHE 101 13.230 -1.631 7.369 1.00 0.00 ATOM 830 N ASP 102 13.272 -2.714 8.139 1.00 0.00 ATOM 831 CA ASP 102 12.108 -3.111 8.922 1.00 0.00 ATOM 832 CB ASP 102 12.495 -4.185 9.940 1.00 0.00 ATOM 833 CG ASP 102 13.509 -3.625 10.930 1.00 0.00 ATOM 834 OD1 ASP 102 14.437 -2.967 10.490 1.00 0.00 ATOM 835 OD2 ASP 102 13.343 -3.864 12.115 1.00 0.00 ATOM 836 O ASP 102 10.358 -1.606 9.593 1.00 0.00 ATOM 837 C ASP 102 11.555 -1.887 9.644 1.00 0.00 ATOM 838 N ALA 103 12.454 -1.144 10.286 1.00 0.00 ATOM 839 CA ALA 103 12.072 0.078 10.986 1.00 0.00 ATOM 840 CB ALA 103 13.321 0.779 11.514 1.00 0.00 ATOM 841 O ALA 103 10.361 1.627 10.292 1.00 0.00 ATOM 842 C ALA 103 11.399 1.018 10.012 1.00 0.00 ATOM 843 N ALA 104 12.030 1.139 8.865 1.00 0.00 ATOM 844 CA ALA 104 11.544 2.007 7.828 1.00 0.00 ATOM 845 CB ALA 104 12.367 1.777 6.573 1.00 0.00 ATOM 846 O ALA 104 9.249 2.680 7.655 1.00 0.00 ATOM 847 C ALA 104 10.062 1.759 7.579 1.00 0.00 ATOM 848 N GLN 105 9.710 0.507 7.308 1.00 0.00 ATOM 849 CA GLN 105 8.314 0.154 7.080 1.00 0.00 ATOM 850 CB GLN 105 8.142 -1.362 7.053 1.00 0.00 ATOM 851 CG GLN 105 9.193 -2.009 6.148 1.00 0.00 ATOM 852 CD GLN 105 8.999 -3.522 6.153 1.00 0.00 ATOM 853 OE1 GLN 105 7.898 -4.006 5.890 1.00 0.00 ATOM 854 NE2 GLN 105 10.006 -4.302 6.438 1.00 0.00 ATOM 855 O GLN 105 6.235 0.819 8.054 1.00 0.00 ATOM 856 C GLN 105 7.450 0.728 8.191 1.00 0.00 ATOM 857 N SER 106 8.089 1.103 9.296 1.00 0.00 ATOM 858 CA SER 106 7.369 1.654 10.438 1.00 0.00 ATOM 859 CB SER 106 8.177 1.442 11.719 1.00 0.00 ATOM 860 OG SER 106 7.287 1.320 12.821 1.00 0.00 ATOM 861 O SER 106 5.975 3.595 10.519 1.00 0.00 ATOM 862 C SER 106 7.085 3.142 10.254 1.00 0.00 ATOM 863 N ARG 107 8.084 3.896 9.800 1.00 0.00 ATOM 864 CA ARG 107 7.912 5.319 9.590 1.00 0.00 ATOM 865 CB ARG 107 9.230 5.950 9.141 1.00 0.00 ATOM 866 CG ARG 107 10.350 5.579 10.118 1.00 0.00 ATOM 867 CD ARG 107 9.929 5.931 11.549 1.00 0.00 ATOM 868 NE ARG 107 9.196 7.191 11.571 1.00 0.00 ATOM 869 CZ ARG 107 8.883 7.784 12.718 1.00 0.00 ATOM 870 NH1 ARG 107 9.236 7.240 13.851 1.00 0.00 ATOM 871 NH2 ARG 107 8.224 8.909 12.712 1.00 0.00 ATOM 872 O ARG 107 6.069 6.478 8.626 1.00 0.00 ATOM 873 C ARG 107 6.862 5.551 8.532 1.00 0.00 ATOM 874 N VAL 108 6.856 4.697 7.530 1.00 0.00 ATOM 875 CA VAL 108 5.905 4.823 6.458 1.00 0.00 ATOM 876 CB VAL 108 6.334 3.928 5.322 1.00 0.00 ATOM 877 CG1 VAL 108 5.156 3.697 4.361 1.00 0.00 ATOM 878 CG2 VAL 108 7.496 4.622 4.627 1.00 0.00 ATOM 879 O VAL 108 3.624 5.259 7.003 1.00 0.00 ATOM 880 C VAL 108 4.531 4.437 6.885 1.00 0.00 ATOM 881 N TYR 109 4.390 3.169 7.091 1.00 0.00 ATOM 882 CA TYR 109 3.143 2.617 7.489 1.00 0.00 ATOM 883 CB TYR 109 3.453 1.315 8.190 1.00 0.00 ATOM 884 CG TYR 109 2.388 1.029 9.190 1.00 0.00 ATOM 885 CD1 TYR 109 1.353 0.176 8.864 1.00 0.00 ATOM 886 CD2 TYR 109 2.444 1.639 10.438 1.00 0.00 ATOM 887 CE1 TYR 109 0.346 -0.085 9.794 1.00 0.00 ATOM 888 CE2 TYR 109 1.449 1.391 11.378 1.00 0.00 ATOM 889 CZ TYR 109 0.391 0.523 11.060 1.00 0.00 ATOM 890 OH TYR 109 -0.600 0.270 11.985 1.00 0.00 ATOM 891 O TYR 109 1.167 3.706 8.326 1.00 0.00 ATOM 892 C TYR 109 2.390 3.575 8.415 1.00 0.00 ATOM 893 N GLN 110 3.126 4.239 9.299 1.00 0.00 ATOM 894 CA GLN 110 2.499 5.174 10.233 1.00 0.00 ATOM 895 CB GLN 110 3.433 5.497 11.407 1.00 0.00 ATOM 896 CG GLN 110 4.806 5.904 10.885 1.00 0.00 ATOM 897 CD GLN 110 4.884 7.419 10.728 1.00 0.00 ATOM 898 OE1 GLN 110 3.872 8.072 10.474 1.00 0.00 ATOM 899 NE2 GLN 110 6.034 8.021 10.864 1.00 0.00 ATOM 900 O GLN 110 1.043 7.039 9.852 1.00 0.00 ATOM 901 C GLN 110 2.077 6.460 9.518 1.00 0.00 ATOM 902 N LEU 111 2.854 6.908 8.524 1.00 0.00 ATOM 903 CA LEU 111 2.459 8.127 7.804 1.00 0.00 ATOM 904 CB LEU 111 3.511 8.674 6.792 1.00 0.00 ATOM 905 CG LEU 111 4.869 7.974 6.872 1.00 0.00 ATOM 906 CD1 LEU 111 5.467 7.899 5.458 1.00 0.00 ATOM 907 CD2 LEU 111 5.824 8.755 7.785 1.00 0.00 ATOM 908 O LEU 111 0.149 8.450 7.323 1.00 0.00 ATOM 909 C LEU 111 1.188 7.856 7.035 1.00 0.00 ATOM 910 N MET 112 1.261 6.944 6.064 1.00 0.00 ATOM 911 CA MET 112 0.079 6.610 5.293 1.00 0.00 ATOM 912 CB MET 112 0.221 5.210 4.727 1.00 0.00 ATOM 913 CG MET 112 0.583 5.282 3.239 1.00 0.00 ATOM 914 SD MET 112 0.740 3.618 2.548 1.00 0.00 ATOM 915 CE MET 112 1.875 2.938 3.766 1.00 0.00 ATOM 916 O MET 112 -2.129 7.250 5.969 1.00 0.00 ATOM 917 C MET 112 -1.088 6.649 6.237 1.00 0.00 ATOM 918 N GLU 113 -0.859 6.028 7.378 1.00 0.00 ATOM 919 CA GLU 113 -1.842 6.005 8.422 1.00 0.00 ATOM 920 CB GLU 113 -1.193 5.534 9.731 1.00 0.00 ATOM 921 CG GLU 113 -2.026 4.412 10.352 1.00 0.00 ATOM 922 CD GLU 113 -1.631 4.211 11.811 1.00 0.00 ATOM 923 OE1 GLU 113 -0.811 3.345 12.069 1.00 0.00 ATOM 924 OE2 GLU 113 -2.154 4.926 12.651 1.00 0.00 ATOM 925 O GLU 113 -3.543 7.691 8.193 1.00 0.00 ATOM 926 C GLU 113 -2.409 7.404 8.602 1.00 0.00 ATOM 927 N GLN 114 -1.594 8.280 9.198 1.00 0.00 ATOM 928 CA GLN 114 -2.019 9.647 9.445 1.00 0.00 ATOM 929 CB GLN 114 -1.172 10.254 10.567 1.00 0.00 ATOM 930 CG GLN 114 0.306 10.332 10.128 1.00 0.00 ATOM 931 CD GLN 114 0.847 11.743 10.343 1.00 0.00 ATOM 932 OE1 GLN 114 1.300 12.077 11.437 1.00 0.00 ATOM 933 NE2 GLN 114 0.825 12.596 9.355 1.00 0.00 ATOM 934 O GLN 114 -1.518 11.675 8.280 1.00 0.00 ATOM 935 C GLN 114 -1.886 10.504 8.199 1.00 0.00 ATOM 936 N ASP 115 -2.179 9.921 7.048 1.00 0.00 ATOM 937 CA ASP 115 -2.075 10.659 5.801 1.00 0.00 ATOM 938 CB ASP 115 -0.757 10.322 5.109 1.00 0.00 ATOM 939 CG ASP 115 -0.398 11.410 4.102 1.00 0.00 ATOM 940 OD1 ASP 115 -1.302 11.917 3.459 1.00 0.00 ATOM 941 OD2 ASP 115 0.777 11.720 3.989 1.00 0.00 ATOM 942 O ASP 115 -4.120 11.156 4.672 1.00 0.00 ATOM 943 C ASP 115 -3.227 10.332 4.872 1.00 0.00 ATOM 944 N SER 116 -3.200 9.137 4.286 1.00 0.00 ATOM 945 CA SER 116 -4.256 8.752 3.361 1.00 0.00 ATOM 946 CB SER 116 -3.678 8.569 1.957 1.00 0.00 ATOM 947 OG SER 116 -4.684 8.053 1.098 1.00 0.00 ATOM 948 O SER 116 -5.797 6.945 3.081 1.00 0.00 ATOM 949 C SER 116 -4.968 7.482 3.815 1.00 0.00 ATOM 950 N TYR 117 -4.678 7.012 5.030 1.00 0.00 ATOM 951 CA TYR 117 -5.342 5.829 5.535 1.00 0.00 ATOM 952 CB TYR 117 -4.594 5.382 6.766 1.00 0.00 ATOM 953 CG TYR 117 -5.396 4.406 7.580 1.00 0.00 ATOM 954 CD1 TYR 117 -5.984 3.295 6.969 1.00 0.00 ATOM 955 CD2 TYR 117 -5.504 4.592 8.964 1.00 0.00 ATOM 956 CE1 TYR 117 -6.679 2.358 7.739 1.00 0.00 ATOM 957 CE2 TYR 117 -6.209 3.662 9.738 1.00 0.00 ATOM 958 CZ TYR 117 -6.792 2.544 9.130 1.00 0.00 ATOM 959 OH TYR 117 -7.468 1.627 9.905 1.00 0.00 ATOM 960 O TYR 117 -7.718 5.461 5.629 1.00 0.00 ATOM 961 C TYR 117 -6.765 6.187 5.907 1.00 0.00 ATOM 962 N THR 118 -6.880 7.335 6.539 1.00 0.00 ATOM 963 CA THR 118 -8.165 7.840 6.969 1.00 0.00 ATOM 964 CB THR 118 -7.940 9.161 7.716 1.00 0.00 ATOM 965 CG2 THR 118 -6.480 9.229 8.198 1.00 0.00 ATOM 966 OG1 THR 118 -8.204 10.249 6.841 1.00 0.00 ATOM 967 O THR 118 -10.153 7.454 5.643 1.00 0.00 ATOM 968 C THR 118 -9.071 8.051 5.761 1.00 0.00 ATOM 969 N ARG 119 -8.632 8.894 4.850 1.00 0.00 ATOM 970 CA ARG 119 -9.429 9.152 3.673 1.00 0.00 ATOM 971 CB ARG 119 -8.846 10.315 2.869 1.00 0.00 ATOM 972 CG ARG 119 -8.375 11.412 3.827 1.00 0.00 ATOM 973 CD ARG 119 -7.956 12.644 3.024 1.00 0.00 ATOM 974 NE ARG 119 -9.131 13.317 2.482 1.00 0.00 ATOM 975 CZ ARG 119 -9.970 13.979 3.272 1.00 0.00 ATOM 976 NH1 ARG 119 -9.748 14.038 4.556 1.00 0.00 ATOM 977 NH2 ARG 119 -11.015 14.572 2.763 1.00 0.00 ATOM 978 O ARG 119 -10.473 7.742 2.041 1.00 0.00 ATOM 979 C ARG 119 -9.523 7.905 2.808 1.00 0.00 ATOM 980 N PHE 120 -8.560 7.001 2.959 1.00 0.00 ATOM 981 CA PHE 120 -8.601 5.765 2.203 1.00 0.00 ATOM 982 CB PHE 120 -7.411 4.879 2.569 1.00 0.00 ATOM 983 CG PHE 120 -7.801 3.430 2.465 1.00 0.00 ATOM 984 CD1 PHE 120 -8.023 2.682 3.623 1.00 0.00 ATOM 985 CD2 PHE 120 -7.958 2.843 1.210 1.00 0.00 ATOM 986 CE1 PHE 120 -8.401 1.344 3.526 1.00 0.00 ATOM 987 CE2 PHE 120 -8.330 1.500 1.109 1.00 0.00 ATOM 988 CZ PHE 120 -8.554 0.749 2.270 1.00 0.00 ATOM 989 O PHE 120 -10.497 4.395 1.710 1.00 0.00 ATOM 990 C PHE 120 -9.898 5.075 2.537 1.00 0.00 ATOM 991 N LEU 121 -10.323 5.285 3.767 1.00 0.00 ATOM 992 CA LEU 121 -11.561 4.714 4.248 1.00 0.00 ATOM 993 CB LEU 121 -11.518 4.660 5.750 1.00 0.00 ATOM 994 CG LEU 121 -10.251 3.911 6.125 1.00 0.00 ATOM 995 CD1 LEU 121 -9.926 4.169 7.570 1.00 0.00 ATOM 996 CD2 LEU 121 -10.441 2.418 5.875 1.00 0.00 ATOM 997 O LEU 121 -13.862 5.099 3.759 1.00 0.00 ATOM 998 C LEU 121 -12.720 5.548 3.779 1.00 0.00 ATOM 999 N LYS 122 -12.398 6.758 3.370 1.00 0.00 ATOM 1000 CA LYS 122 -13.387 7.667 2.850 1.00 0.00 ATOM 1001 CB LYS 122 -13.245 9.041 3.512 1.00 0.00 ATOM 1002 CG LYS 122 -14.566 9.829 3.423 1.00 0.00 ATOM 1003 CD LYS 122 -15.750 9.037 4.019 1.00 0.00 ATOM 1004 CE LYS 122 -15.323 8.260 5.273 1.00 0.00 ATOM 1005 NZ LYS 122 -14.611 9.175 6.209 1.00 0.00 ATOM 1006 O LYS 122 -13.751 8.627 0.686 1.00 0.00 ATOM 1007 C LYS 122 -13.195 7.753 1.352 1.00 0.00 ATOM 1008 N SER 123 -12.413 6.805 0.822 1.00 0.00 ATOM 1009 CA SER 123 -12.167 6.748 -0.594 1.00 0.00 ATOM 1010 CB SER 123 -10.735 6.328 -0.865 1.00 0.00 ATOM 1011 OG SER 123 -10.577 4.977 -0.460 1.00 0.00 ATOM 1012 O SER 123 -13.112 4.569 -0.777 1.00 0.00 ATOM 1013 C SER 123 -13.090 5.723 -1.201 1.00 0.00 ATOM 1014 N ASP 124 -13.851 6.154 -2.179 1.00 0.00 ATOM 1015 CA ASP 124 -14.791 5.268 -2.853 1.00 0.00 ATOM 1016 CB ASP 124 -15.069 5.775 -4.271 1.00 0.00 ATOM 1017 CG ASP 124 -15.691 7.166 -4.214 1.00 0.00 ATOM 1018 OD1 ASP 124 -15.377 7.895 -3.288 1.00 0.00 ATOM 1019 OD2 ASP 124 -16.472 7.480 -5.097 1.00 0.00 ATOM 1020 O ASP 124 -14.988 2.878 -3.036 1.00 0.00 ATOM 1021 C ASP 124 -14.234 3.842 -2.915 1.00 0.00 ATOM 1022 N ILE 125 -12.909 3.720 -2.809 1.00 0.00 ATOM 1023 CA ILE 125 -12.261 2.409 -2.830 1.00 0.00 ATOM 1024 CB ILE 125 -10.719 2.577 -2.801 1.00 0.00 ATOM 1025 CG1 ILE 125 -10.069 1.441 -3.604 1.00 0.00 ATOM 1026 CG2 ILE 125 -10.168 2.545 -1.346 1.00 0.00 ATOM 1027 CD1 ILE 125 -10.508 1.514 -5.074 1.00 0.00 ATOM 1028 O ILE 125 -13.171 0.460 -1.740 1.00 0.00 ATOM 1029 C ILE 125 -12.701 1.597 -1.627 1.00 0.00 ATOM 1030 N TYR 126 -12.525 2.197 -0.473 1.00 0.00 ATOM 1031 CA TYR 126 -12.869 1.555 0.768 1.00 0.00 ATOM 1032 CB TYR 126 -12.150 2.280 1.876 1.00 0.00 ATOM 1033 CG TYR 126 -12.565 1.716 3.189 1.00 0.00 ATOM 1034 CD1 TYR 126 -13.742 2.162 3.792 1.00 0.00 ATOM 1035 CD2 TYR 126 -11.762 0.762 3.808 1.00 0.00 ATOM 1036 CE1 TYR 126 -14.117 1.645 5.036 1.00 0.00 ATOM 1037 CE2 TYR 126 -12.133 0.241 5.039 1.00 0.00 ATOM 1038 CZ TYR 126 -13.310 0.680 5.658 1.00 0.00 ATOM 1039 OH TYR 126 -13.659 0.185 6.895 1.00 0.00 ATOM 1040 O TYR 126 -14.939 0.732 1.630 1.00 0.00 ATOM 1041 C TYR 126 -14.357 1.597 0.978 1.00 0.00 ATOM 1042 N LEU 127 -14.968 2.583 0.385 1.00 0.00 ATOM 1043 CA LEU 127 -16.394 2.713 0.459 1.00 0.00 ATOM 1044 CB LEU 127 -16.767 4.079 -0.085 1.00 0.00 ATOM 1045 CG LEU 127 -16.885 5.081 1.060 1.00 0.00 ATOM 1046 CD1 LEU 127 -18.196 4.875 1.823 1.00 0.00 ATOM 1047 CD2 LEU 127 -15.700 4.908 1.995 1.00 0.00 ATOM 1048 O LEU 127 -17.921 0.915 0.019 1.00 0.00 ATOM 1049 C LEU 127 -16.983 1.604 -0.383 1.00 0.00 ATOM 1050 N ASP 128 -16.376 1.419 -1.542 1.00 0.00 ATOM 1051 CA ASP 128 -16.783 0.362 -2.447 1.00 0.00 ATOM 1052 CB ASP 128 -15.787 0.212 -3.599 1.00 0.00 ATOM 1053 CG ASP 128 -16.134 -1.019 -4.429 1.00 0.00 ATOM 1054 OD1 ASP 128 -15.450 -2.019 -4.285 1.00 0.00 ATOM 1055 OD2 ASP 128 -17.079 -0.944 -5.198 1.00 0.00 ATOM 1056 O ASP 128 -17.859 -1.671 -1.806 1.00 0.00 ATOM 1057 C ASP 128 -16.879 -0.943 -1.668 1.00 0.00 ATOM 1058 N LEU 129 -15.879 -1.237 -0.818 1.00 0.00 ATOM 1059 CA LEU 129 -15.975 -2.471 -0.028 1.00 0.00 ATOM 1060 CB LEU 129 -14.752 -2.729 0.883 1.00 0.00 ATOM 1061 CG LEU 129 -13.625 -1.743 0.607 1.00 0.00 ATOM 1062 CD1 LEU 129 -12.654 -1.760 1.787 1.00 0.00 ATOM 1063 CD2 LEU 129 -12.883 -2.131 -0.674 1.00 0.00 ATOM 1064 O LEU 129 -18.030 -3.280 0.913 1.00 0.00 ATOM 1065 C LEU 129 -17.201 -2.372 0.859 1.00 0.00 ATOM 1066 N MET 130 -17.289 -1.254 1.565 1.00 0.00 ATOM 1067 CA MET 130 -18.395 -1.012 2.472 1.00 0.00 ATOM 1068 CB MET 130 -18.200 0.332 3.179 1.00 0.00 ATOM 1069 CG MET 130 -16.852 0.351 3.932 1.00 0.00 ATOM 1070 SD MET 130 -16.136 -1.313 3.998 1.00 0.00 ATOM 1071 CE MET 130 -15.468 -1.236 5.674 1.00 0.00 ATOM 1072 O MET 130 -20.526 -1.945 1.918 1.00 0.00 ATOM 1073 C MET 130 -19.723 -1.031 1.733 1.00 0.00 ATOM 1074 N GLU 131 -19.947 -0.028 0.894 1.00 0.00 ATOM 1075 CA GLU 131 -21.185 0.058 0.126 1.00 0.00 ATOM 1076 CB GLU 131 -21.011 -0.612 -1.241 1.00 0.00 ATOM 1077 CG GLU 131 -20.414 -2.017 -1.089 1.00 0.00 ATOM 1078 CD GLU 131 -21.465 -2.979 -0.546 1.00 0.00 ATOM 1079 OE1 GLU 131 -22.545 -3.027 -1.111 1.00 0.00 ATOM 1080 OE2 GLU 131 -21.173 -3.656 0.426 1.00 0.00 ATOM 1081 O GLU 131 -23.205 -1.236 0.268 1.00 0.00 ATOM 1082 C GLU 131 -22.343 -0.600 0.872 1.00 0.00 ATOM 1083 N GLY 132 -22.352 -0.440 2.191 1.00 0.00 ATOM 1084 CA GLY 132 -23.404 -1.024 3.019 1.00 0.00 ATOM 1085 O GLY 132 -25.020 -0.106 4.536 1.00 0.00 ATOM 1086 C GLY 132 -24.384 0.042 3.492 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 T0302.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.977 # GDT_score = -72.538 # GDT_score(maxd=8.000,maxw=2.900)= -77.637 # GDT_score(maxd=8.000,maxw=3.200)= -73.075 # GDT_score(maxd=8.000,maxw=3.500)= -68.806 # GDT_score(maxd=10.000,maxw=3.800)= -71.529 # GDT_score(maxd=10.000,maxw=4.000)= -68.915 # GDT_score(maxd=10.000,maxw=4.200)= -66.347 # GDT_score(maxd=12.000,maxw=4.300)= -70.224 # GDT_score(maxd=12.000,maxw=4.500)= -67.745 # GDT_score(maxd=12.000,maxw=4.700)= -65.338 # GDT_score(maxd=14.000,maxw=5.200)= -63.676 # GDT_score(maxd=14.000,maxw=5.500)= -60.596 # command:# ReadConformPDB reading from PDB file T0302.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.962 # GDT_score = -76.326 # GDT_score(maxd=8.000,maxw=2.900)= -80.897 # GDT_score(maxd=8.000,maxw=3.200)= -76.940 # GDT_score(maxd=8.000,maxw=3.500)= -72.778 # GDT_score(maxd=10.000,maxw=3.800)= -75.043 # GDT_score(maxd=10.000,maxw=4.000)= -72.402 # GDT_score(maxd=10.000,maxw=4.200)= -69.896 # GDT_score(maxd=12.000,maxw=4.300)= -73.418 # GDT_score(maxd=12.000,maxw=4.500)= -71.009 # GDT_score(maxd=12.000,maxw=4.700)= -68.716 # GDT_score(maxd=14.000,maxw=5.200)= -66.975 # GDT_score(maxd=14.000,maxw=5.500)= -63.873 # command:# ReadConformPDB reading from PDB file T0302.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0302.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0302.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0302 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 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model2.ts-submitted looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../model3.ts-submitted looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model4.ts-submitted looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file ../model5.ts-submitted looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # ReadConformPDB reading from PDB file T0302.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 4 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try2-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try2-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try2-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try2-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0302.try2-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_75131054.pdb -s /var/tmp/to_scwrl_75131054.seq -o /var/tmp/from_scwrl_75131054.pdb > /var/tmp/scwrl_75131054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_75131054.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_400665914.pdb -s /var/tmp/to_scwrl_400665914.seq -o /var/tmp/from_scwrl_400665914.pdb > /var/tmp/scwrl_400665914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_400665914.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS2-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1082413807.pdb -s /var/tmp/to_scwrl_1082413807.seq -o /var/tmp/from_scwrl_1082413807.pdb > /var/tmp/scwrl_1082413807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1082413807.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS3-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_458653272.pdb -s /var/tmp/to_scwrl_458653272.seq -o /var/tmp/from_scwrl_458653272.pdb > /var/tmp/scwrl_458653272.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_458653272.pdb # conformation set from SCWRL output # naming current conformation 3D-JIGSAW_POPULUS_TS4-scwrl # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1917034209.pdb -s /var/tmp/to_scwrl_1917034209.seq -o /var/tmp/from_scwrl_1917034209.pdb > /var/tmp/scwrl_1917034209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1917034209.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1657337548.pdb -s /var/tmp/to_scwrl_1657337548.seq -o /var/tmp/from_scwrl_1657337548.pdb > /var/tmp/scwrl_1657337548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1657337548.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_373866297.pdb -s /var/tmp/to_scwrl_373866297.seq -o /var/tmp/from_scwrl_373866297.pdb > /var/tmp/scwrl_373866297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_373866297.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1148805399.pdb -s /var/tmp/to_scwrl_1148805399.seq -o /var/tmp/from_scwrl_1148805399.pdb > /var/tmp/scwrl_1148805399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148805399.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_589012849.pdb -s /var/tmp/to_scwrl_589012849.seq -o /var/tmp/from_scwrl_589012849.pdb > /var/tmp/scwrl_589012849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_589012849.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_877266711.pdb -s /var/tmp/to_scwrl_877266711.seq -o /var/tmp/from_scwrl_877266711.pdb > /var/tmp/scwrl_877266711.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_877266711.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_41876592.pdb -s /var/tmp/to_scwrl_41876592.seq -o /var/tmp/from_scwrl_41876592.pdb > /var/tmp/scwrl_41876592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_41876592.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2082981937.pdb -s /var/tmp/to_scwrl_2082981937.seq -o /var/tmp/from_scwrl_2082981937.pdb > /var/tmp/scwrl_2082981937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2082981937.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 T0302 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1841554360.pdb -s /var/tmp/to_scwrl_1841554360.seq -o /var/tmp/from_scwrl_1841554360.pdb > /var/tmp/scwrl_1841554360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1841554360.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_570210250.pdb -s /var/tmp/to_scwrl_570210250.seq -o /var/tmp/from_scwrl_570210250.pdb > /var/tmp/scwrl_570210250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_570210250.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_212983433.pdb -s /var/tmp/to_scwrl_212983433.seq -o /var/tmp/from_scwrl_212983433.pdb > /var/tmp/scwrl_212983433.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_212983433.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 # naming current conformation 3Dpro_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1453057080.pdb -s /var/tmp/to_scwrl_1453057080.seq -o /var/tmp/from_scwrl_1453057080.pdb > /var/tmp/scwrl_1453057080.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1453057080.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 100 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1092162958.pdb -s /var/tmp/to_scwrl_1092162958.seq -o /var/tmp/from_scwrl_1092162958.pdb > /var/tmp/scwrl_1092162958.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1092162958.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 113 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_732995502.pdb -s /var/tmp/to_scwrl_732995502.seq -o /var/tmp/from_scwrl_732995502.pdb > /var/tmp/scwrl_732995502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732995502.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 96 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1152057845.pdb -s /var/tmp/to_scwrl_1152057845.seq -o /var/tmp/from_scwrl_1152057845.pdb > /var/tmp/scwrl_1152057845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1152057845.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 6 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_240538501.pdb -s /var/tmp/to_scwrl_240538501.seq -o /var/tmp/from_scwrl_240538501.pdb > /var/tmp/scwrl_240538501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_240538501.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 121 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_320280089.pdb -s /var/tmp/to_scwrl_320280089.seq -o /var/tmp/from_scwrl_320280089.pdb > /var/tmp/scwrl_320280089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_320280089.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 116 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_236158062.pdb -s /var/tmp/to_scwrl_236158062.seq -o /var/tmp/from_scwrl_236158062.pdb > /var/tmp/scwrl_236158062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_236158062.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 90 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_127845493.pdb -s /var/tmp/to_scwrl_127845493.seq -o /var/tmp/from_scwrl_127845493.pdb > /var/tmp/scwrl_127845493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_127845493.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 102 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1863996506.pdb -s /var/tmp/to_scwrl_1863996506.seq -o /var/tmp/from_scwrl_1863996506.pdb > /var/tmp/scwrl_1863996506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1863996506.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 104 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1557734564.pdb -s /var/tmp/to_scwrl_1557734564.seq -o /var/tmp/from_scwrl_1557734564.pdb > /var/tmp/scwrl_1557734564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557734564.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 2 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1485072102.pdb -s /var/tmp/to_scwrl_1485072102.seq -o /var/tmp/from_scwrl_1485072102.pdb > /var/tmp/scwrl_1485072102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485072102.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 100 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_442766377.pdb -s /var/tmp/to_scwrl_442766377.seq -o /var/tmp/from_scwrl_442766377.pdb > /var/tmp/scwrl_442766377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_442766377.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 100 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1287868721.pdb -s /var/tmp/to_scwrl_1287868721.seq -o /var/tmp/from_scwrl_1287868721.pdb > /var/tmp/scwrl_1287868721.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1287868721.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 100 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1595843906.pdb -s /var/tmp/to_scwrl_1595843906.seq -o /var/tmp/from_scwrl_1595843906.pdb > /var/tmp/scwrl_1595843906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595843906.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 100 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1725827127.pdb -s /var/tmp/to_scwrl_1725827127.seq -o /var/tmp/from_scwrl_1725827127.pdb > /var/tmp/scwrl_1725827127.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725827127.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS4-scwrl # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_966467924.pdb -s /var/tmp/to_scwrl_966467924.seq -o /var/tmp/from_scwrl_966467924.pdb > /var/tmp/scwrl_966467924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_966467924.pdb # conformation set from SCWRL output # naming current conformation Bilab-ENABLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1670974960.pdb -s /var/tmp/to_scwrl_1670974960.seq -o /var/tmp/from_scwrl_1670974960.pdb > /var/tmp/scwrl_1670974960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1670974960.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 124 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2126493041.pdb -s /var/tmp/to_scwrl_2126493041.seq -o /var/tmp/from_scwrl_2126493041.pdb > /var/tmp/scwrl_2126493041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2126493041.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS2-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2048881731.pdb -s /var/tmp/to_scwrl_2048881731.seq -o /var/tmp/from_scwrl_2048881731.pdb > /var/tmp/scwrl_2048881731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048881731.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS3-scwrl # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2129628233.pdb -s /var/tmp/to_scwrl_2129628233.seq -o /var/tmp/from_scwrl_2129628233.pdb > /var/tmp/scwrl_2129628233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2129628233.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1896043603.pdb -s /var/tmp/to_scwrl_1896043603.seq -o /var/tmp/from_scwrl_1896043603.pdb > /var/tmp/scwrl_1896043603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1896043603.pdb # conformation set from SCWRL output # naming current conformation CIRCLE_TS5-scwrl # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1558735632.pdb -s /var/tmp/to_scwrl_1558735632.seq -o /var/tmp/from_scwrl_1558735632.pdb > /var/tmp/scwrl_1558735632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1558735632.pdb # conformation set from SCWRL output # naming current conformation CPHmodels_TS1-scwrl # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_356010883.pdb -s /var/tmp/to_scwrl_356010883.seq -o /var/tmp/from_scwrl_356010883.pdb > /var/tmp/scwrl_356010883.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_356010883.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 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_897365356.pdb -s /var/tmp/to_scwrl_897365356.seq -o /var/tmp/from_scwrl_897365356.pdb > /var/tmp/scwrl_897365356.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_897365356.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 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_264835.pdb -s /var/tmp/to_scwrl_264835.seq -o /var/tmp/from_scwrl_264835.pdb > /var/tmp/scwrl_264835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_264835.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 # naming current conformation CaspIta-FOX_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1233277594.pdb -s /var/tmp/to_scwrl_1233277594.seq -o /var/tmp/from_scwrl_1233277594.pdb > /var/tmp/scwrl_1233277594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1233277594.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 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_939241948.pdb -s /var/tmp/to_scwrl_939241948.seq -o /var/tmp/from_scwrl_939241948.pdb > /var/tmp/scwrl_939241948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_939241948.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 T0302 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2083246772.pdb -s /var/tmp/to_scwrl_2083246772.seq -o /var/tmp/from_scwrl_2083246772.pdb > /var/tmp/scwrl_2083246772.log Error: can't open any of /var/tmp/from_scwrl_2083246772.pdb or /var/tmp/from_scwrl_2083246772_b.pdb or /var/tmp/from_scwrl_2083246772_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 T0302 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_927348308.pdb -s /var/tmp/to_scwrl_927348308.seq -o /var/tmp/from_scwrl_927348308.pdb > /var/tmp/scwrl_927348308.log Error: can't open any of /var/tmp/from_scwrl_927348308.pdb or /var/tmp/from_scwrl_927348308_b.pdb or /var/tmp/from_scwrl_927348308_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 T0302 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1509452197.pdb -s /var/tmp/to_scwrl_1509452197.seq -o /var/tmp/from_scwrl_1509452197.pdb > /var/tmp/scwrl_1509452197.log Error: can't open any of /var/tmp/from_scwrl_1509452197.pdb or /var/tmp/from_scwrl_1509452197_b.pdb or /var/tmp/from_scwrl_1509452197_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 T0302 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_148746558.pdb -s /var/tmp/to_scwrl_148746558.seq -o /var/tmp/from_scwrl_148746558.pdb > /var/tmp/scwrl_148746558.log Error: can't open any of /var/tmp/from_scwrl_148746558.pdb or /var/tmp/from_scwrl_148746558_b.pdb or /var/tmp/from_scwrl_148746558_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 T0302 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_232921741.pdb -s /var/tmp/to_scwrl_232921741.seq -o /var/tmp/from_scwrl_232921741.pdb > /var/tmp/scwrl_232921741.log Error: can't open any of /var/tmp/from_scwrl_232921741.pdb or /var/tmp/from_scwrl_232921741_b.pdb or /var/tmp/from_scwrl_232921741_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 123 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_454131510.pdb -s /var/tmp/to_scwrl_454131510.seq -o /var/tmp/from_scwrl_454131510.pdb > /var/tmp/scwrl_454131510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_454131510.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_881742061.pdb -s /var/tmp/to_scwrl_881742061.seq -o /var/tmp/from_scwrl_881742061.pdb > /var/tmp/scwrl_881742061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_881742061.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1384979586.pdb -s /var/tmp/to_scwrl_1384979586.seq -o /var/tmp/from_scwrl_1384979586.pdb > /var/tmp/scwrl_1384979586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1384979586.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 # Found a chain break before 123 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_694670011.pdb -s /var/tmp/to_scwrl_694670011.seq -o /var/tmp/from_scwrl_694670011.pdb > /var/tmp/scwrl_694670011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_694670011.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1202022149.pdb -s /var/tmp/to_scwrl_1202022149.seq -o /var/tmp/from_scwrl_1202022149.pdb > /var/tmp/scwrl_1202022149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1202022149.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 131 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1621137648.pdb -s /var/tmp/to_scwrl_1621137648.seq -o /var/tmp/from_scwrl_1621137648.pdb > /var/tmp/scwrl_1621137648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1621137648.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS1-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 121 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_822515504.pdb -s /var/tmp/to_scwrl_822515504.seq -o /var/tmp/from_scwrl_822515504.pdb > /var/tmp/scwrl_822515504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_822515504.pdb # conformation set from SCWRL output # naming current conformation FAMS_TS2-scwrl # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_918535010.pdb -s /var/tmp/to_scwrl_918535010.seq -o /var/tmp/from_scwrl_918535010.pdb > /var/tmp/scwrl_918535010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918535010.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 131 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1031388567.pdb -s /var/tmp/to_scwrl_1031388567.seq -o /var/tmp/from_scwrl_1031388567.pdb > /var/tmp/scwrl_1031388567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1031388567.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 124 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_160103959.pdb -s /var/tmp/to_scwrl_160103959.seq -o /var/tmp/from_scwrl_160103959.pdb > /var/tmp/scwrl_160103959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_160103959.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 34 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1361301386.pdb -s /var/tmp/to_scwrl_1361301386.seq -o /var/tmp/from_scwrl_1361301386.pdb > /var/tmp/scwrl_1361301386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1361301386.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 130 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_171773641.pdb -s /var/tmp/to_scwrl_171773641.seq -o /var/tmp/from_scwrl_171773641.pdb > /var/tmp/scwrl_171773641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_171773641.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 76 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1755947865.pdb -s /var/tmp/to_scwrl_1755947865.seq -o /var/tmp/from_scwrl_1755947865.pdb > /var/tmp/scwrl_1755947865.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1755947865.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 100 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_939644867.pdb -s /var/tmp/to_scwrl_939644867.seq -o /var/tmp/from_scwrl_939644867.pdb > /var/tmp/scwrl_939644867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_939644867.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 76 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1138241564.pdb -s /var/tmp/to_scwrl_1138241564.seq -o /var/tmp/from_scwrl_1138241564.pdb > /var/tmp/scwrl_1138241564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1138241564.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 T0302 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1279439179.pdb -s /var/tmp/to_scwrl_1279439179.seq -o /var/tmp/from_scwrl_1279439179.pdb > /var/tmp/scwrl_1279439179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279439179.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_918654261.pdb -s /var/tmp/to_scwrl_918654261.seq -o /var/tmp/from_scwrl_918654261.pdb > /var/tmp/scwrl_918654261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_918654261.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1039639650.pdb -s /var/tmp/to_scwrl_1039639650.seq -o /var/tmp/from_scwrl_1039639650.pdb > /var/tmp/scwrl_1039639650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1039639650.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 T0302 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1261583765.pdb -s /var/tmp/to_scwrl_1261583765.seq -o /var/tmp/from_scwrl_1261583765.pdb > /var/tmp/scwrl_1261583765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261583765.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_667214217.pdb -s /var/tmp/to_scwrl_667214217.seq -o /var/tmp/from_scwrl_667214217.pdb > /var/tmp/scwrl_667214217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_667214217.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 T0302 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_450891635.pdb -s /var/tmp/to_scwrl_450891635.seq -o /var/tmp/from_scwrl_450891635.pdb > /var/tmp/scwrl_450891635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_450891635.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1617594648.pdb -s /var/tmp/to_scwrl_1617594648.seq -o /var/tmp/from_scwrl_1617594648.pdb > /var/tmp/scwrl_1617594648.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1617594648.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1564579572.pdb -s /var/tmp/to_scwrl_1564579572.seq -o /var/tmp/from_scwrl_1564579572.pdb > /var/tmp/scwrl_1564579572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1564579572.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 T0302 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_451156470.pdb -s /var/tmp/to_scwrl_451156470.seq -o /var/tmp/from_scwrl_451156470.pdb > /var/tmp/scwrl_451156470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_451156470.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 T0302 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_703388596.pdb -s /var/tmp/to_scwrl_703388596.seq -o /var/tmp/from_scwrl_703388596.pdb > /var/tmp/scwrl_703388596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_703388596.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 40 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_356337874.pdb -s /var/tmp/to_scwrl_356337874.seq -o /var/tmp/from_scwrl_356337874.pdb > /var/tmp/scwrl_356337874.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_356337874.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 131 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_386919595.pdb -s /var/tmp/to_scwrl_386919595.seq -o /var/tmp/from_scwrl_386919595.pdb > /var/tmp/scwrl_386919595.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_386919595.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 104 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1630736903.pdb -s /var/tmp/to_scwrl_1630736903.seq -o /var/tmp/from_scwrl_1630736903.pdb > /var/tmp/scwrl_1630736903.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1630736903.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 120 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1865790071.pdb -s /var/tmp/to_scwrl_1865790071.seq -o /var/tmp/from_scwrl_1865790071.pdb > /var/tmp/scwrl_1865790071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1865790071.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 # naming current conformation FPSOLVER-SERVER_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_535666154.pdb -s /var/tmp/to_scwrl_535666154.seq -o /var/tmp/from_scwrl_535666154.pdb > /var/tmp/scwrl_535666154.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_535666154.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 T0302 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1863658645.pdb -s /var/tmp/to_scwrl_1863658645.seq -o /var/tmp/from_scwrl_1863658645.pdb > /var/tmp/scwrl_1863658645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1863658645.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 100 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_172437934.pdb -s /var/tmp/to_scwrl_172437934.seq -o /var/tmp/from_scwrl_172437934.pdb > /var/tmp/scwrl_172437934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_172437934.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 70 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1417408214.pdb -s /var/tmp/to_scwrl_1417408214.seq -o /var/tmp/from_scwrl_1417408214.pdb > /var/tmp/scwrl_1417408214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417408214.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS3-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1101154584.pdb -s /var/tmp/to_scwrl_1101154584.seq -o /var/tmp/from_scwrl_1101154584.pdb > /var/tmp/scwrl_1101154584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1101154584.pdb # conformation set from SCWRL output # naming current conformation FUGMOD_TS4-scwrl # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_867107946.pdb -s /var/tmp/to_scwrl_867107946.seq -o /var/tmp/from_scwrl_867107946.pdb > /var/tmp/scwrl_867107946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_867107946.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 T0302 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_471946717.pdb -s /var/tmp/to_scwrl_471946717.seq -o /var/tmp/from_scwrl_471946717.pdb > /var/tmp/scwrl_471946717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_471946717.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 T0302 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_574808587.pdb -s /var/tmp/to_scwrl_574808587.seq -o /var/tmp/from_scwrl_574808587.pdb > /var/tmp/scwrl_574808587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_574808587.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1689623449.pdb -s /var/tmp/to_scwrl_1689623449.seq -o /var/tmp/from_scwrl_1689623449.pdb > /var/tmp/scwrl_1689623449.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1689623449.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 T0302 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1390481726.pdb -s /var/tmp/to_scwrl_1390481726.seq -o /var/tmp/from_scwrl_1390481726.pdb > /var/tmp/scwrl_1390481726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1390481726.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1606197153.pdb -s /var/tmp/to_scwrl_1606197153.seq -o /var/tmp/from_scwrl_1606197153.pdb > /var/tmp/scwrl_1606197153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1606197153.pdb # conformation set from SCWRL output # naming current conformation FUGUE_AL5-scwrl # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 128 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1849727409.pdb -s /var/tmp/to_scwrl_1849727409.seq -o /var/tmp/from_scwrl_1849727409.pdb > /var/tmp/scwrl_1849727409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849727409.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 131 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_604299466.pdb -s /var/tmp/to_scwrl_604299466.seq -o /var/tmp/from_scwrl_604299466.pdb > /var/tmp/scwrl_604299466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_604299466.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 128 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1777970794.pdb -s /var/tmp/to_scwrl_1777970794.seq -o /var/tmp/from_scwrl_1777970794.pdb > /var/tmp/scwrl_1777970794.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1777970794.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 128 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1458191627.pdb -s /var/tmp/to_scwrl_1458191627.seq -o /var/tmp/from_scwrl_1458191627.pdb > /var/tmp/scwrl_1458191627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1458191627.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 131 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1543944332.pdb -s /var/tmp/to_scwrl_1543944332.seq -o /var/tmp/from_scwrl_1543944332.pdb > /var/tmp/scwrl_1543944332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1543944332.pdb # conformation set from SCWRL output # naming current conformation FUNCTION_TS5-scwrl # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_768728713.pdb -s /var/tmp/to_scwrl_768728713.seq -o /var/tmp/from_scwrl_768728713.pdb > /var/tmp/scwrl_768728713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_768728713.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 100 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_590147160.pdb -s /var/tmp/to_scwrl_590147160.seq -o /var/tmp/from_scwrl_590147160.pdb > /var/tmp/scwrl_590147160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_590147160.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 100 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_315114946.pdb -s /var/tmp/to_scwrl_315114946.seq -o /var/tmp/from_scwrl_315114946.pdb > /var/tmp/scwrl_315114946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_315114946.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 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1808368362.pdb -s /var/tmp/to_scwrl_1808368362.seq -o /var/tmp/from_scwrl_1808368362.pdb > /var/tmp/scwrl_1808368362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1808368362.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS3-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 130 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1851730925.pdb -s /var/tmp/to_scwrl_1851730925.seq -o /var/tmp/from_scwrl_1851730925.pdb > /var/tmp/scwrl_1851730925.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851730925.pdb # conformation set from SCWRL output # naming current conformation GeneSilicoMetaServer_TS4-scwrl # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_982329163.pdb -s /var/tmp/to_scwrl_982329163.seq -o /var/tmp/from_scwrl_982329163.pdb > /var/tmp/scwrl_982329163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_982329163.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 100 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_111776350.pdb -s /var/tmp/to_scwrl_111776350.seq -o /var/tmp/from_scwrl_111776350.pdb > /var/tmp/scwrl_111776350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_111776350.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 # naming current conformation HHpred2_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1321841927.pdb -s /var/tmp/to_scwrl_1321841927.seq -o /var/tmp/from_scwrl_1321841927.pdb > /var/tmp/scwrl_1321841927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1321841927.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 # naming current conformation HHpred3_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_399425089.pdb -s /var/tmp/to_scwrl_399425089.seq -o /var/tmp/from_scwrl_399425089.pdb > /var/tmp/scwrl_399425089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399425089.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_562932821.pdb -s /var/tmp/to_scwrl_562932821.seq -o /var/tmp/from_scwrl_562932821.pdb > /var/tmp/scwrl_562932821.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_562932821.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2025230523.pdb -s /var/tmp/to_scwrl_2025230523.seq -o /var/tmp/from_scwrl_2025230523.pdb > /var/tmp/scwrl_2025230523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2025230523.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 T0302 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_755762963.pdb -s /var/tmp/to_scwrl_755762963.seq -o /var/tmp/from_scwrl_755762963.pdb > /var/tmp/scwrl_755762963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_755762963.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 T0302 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_949852416.pdb -s /var/tmp/to_scwrl_949852416.seq -o /var/tmp/from_scwrl_949852416.pdb > /var/tmp/scwrl_949852416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_949852416.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Huber-Torda-Server_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1508483780.pdb -s /var/tmp/to_scwrl_1508483780.seq -o /var/tmp/from_scwrl_1508483780.pdb > /var/tmp/scwrl_1508483780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1508483780.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_474069387.pdb -s /var/tmp/to_scwrl_474069387.seq -o /var/tmp/from_scwrl_474069387.pdb > /var/tmp/scwrl_474069387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_474069387.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 T0302 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1485518569.pdb -s /var/tmp/to_scwrl_1485518569.seq -o /var/tmp/from_scwrl_1485518569.pdb > /var/tmp/scwrl_1485518569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485518569.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 T0302 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1224658778.pdb -s /var/tmp/to_scwrl_1224658778.seq -o /var/tmp/from_scwrl_1224658778.pdb > /var/tmp/scwrl_1224658778.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1224658778.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 T0302 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_646507322.pdb -s /var/tmp/to_scwrl_646507322.seq -o /var/tmp/from_scwrl_646507322.pdb > /var/tmp/scwrl_646507322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_646507322.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 T0302 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_755443137.pdb -s /var/tmp/to_scwrl_755443137.seq -o /var/tmp/from_scwrl_755443137.pdb > /var/tmp/scwrl_755443137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_755443137.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation MIG_FROST_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_178329716.pdb -s /var/tmp/to_scwrl_178329716.seq -o /var/tmp/from_scwrl_178329716.pdb > /var/tmp/scwrl_178329716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_178329716.pdb # conformation set from SCWRL output # naming current conformation MIG_FROST_AL1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 57 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1513615267.pdb -s /var/tmp/to_scwrl_1513615267.seq -o /var/tmp/from_scwrl_1513615267.pdb > /var/tmp/scwrl_1513615267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1513615267.pdb # conformation set from SCWRL output # naming current conformation Ma-OPUS-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1227389854.pdb -s /var/tmp/to_scwrl_1227389854.seq -o /var/tmp/from_scwrl_1227389854.pdb > /var/tmp/scwrl_1227389854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1227389854.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 # naming current conformation Ma-OPUS-server_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_753138303.pdb -s /var/tmp/to_scwrl_753138303.seq -o /var/tmp/from_scwrl_753138303.pdb > /var/tmp/scwrl_753138303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_753138303.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 122 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1055755070.pdb -s /var/tmp/to_scwrl_1055755070.seq -o /var/tmp/from_scwrl_1055755070.pdb > /var/tmp/scwrl_1055755070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1055755070.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 94 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_470387934.pdb -s /var/tmp/to_scwrl_470387934.seq -o /var/tmp/from_scwrl_470387934.pdb > /var/tmp/scwrl_470387934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_470387934.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 96 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_211851809.pdb -s /var/tmp/to_scwrl_211851809.seq -o /var/tmp/from_scwrl_211851809.pdb > /var/tmp/scwrl_211851809.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_211851809.pdb # conformation set from SCWRL output # naming current conformation MetaTasser_TS1-scwrl # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_757998832.pdb -s /var/tmp/to_scwrl_757998832.seq -o /var/tmp/from_scwrl_757998832.pdb > /var/tmp/scwrl_757998832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_757998832.pdb # conformation set from SCWRL output # naming current conformation NN_PUT_lab_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1074687400.pdb -s /var/tmp/to_scwrl_1074687400.seq -o /var/tmp/from_scwrl_1074687400.pdb > /var/tmp/scwrl_1074687400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1074687400.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS1-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1989822604.pdb -s /var/tmp/to_scwrl_1989822604.seq -o /var/tmp/from_scwrl_1989822604.pdb > /var/tmp/scwrl_1989822604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1989822604.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_68706813.pdb -s /var/tmp/to_scwrl_68706813.seq -o /var/tmp/from_scwrl_68706813.pdb > /var/tmp/scwrl_68706813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_68706813.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS3-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_471148086.pdb -s /var/tmp/to_scwrl_471148086.seq -o /var/tmp/from_scwrl_471148086.pdb > /var/tmp/scwrl_471148086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_471148086.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 119 ; scwrl -i /var/tmp/to_scwrl_611067670.pdb -s /var/tmp/to_scwrl_611067670.seq -o /var/tmp/from_scwrl_611067670.pdb > /var/tmp/scwrl_611067670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611067670.pdb # conformation set from SCWRL output # naming current conformation PROTINFO-AB_TS5-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_658853973.pdb -s /var/tmp/to_scwrl_658853973.seq -o /var/tmp/from_scwrl_658853973.pdb > /var/tmp/scwrl_658853973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_658853973.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 115 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_786263033.pdb -s /var/tmp/to_scwrl_786263033.seq -o /var/tmp/from_scwrl_786263033.pdb > /var/tmp/scwrl_786263033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_786263033.pdb # conformation set from SCWRL output # naming current conformation PROTINFO_TS2-scwrl # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_271952385.pdb -s /var/tmp/to_scwrl_271952385.seq -o /var/tmp/from_scwrl_271952385.pdb > /var/tmp/scwrl_271952385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_271952385.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 115 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_363101252.pdb -s /var/tmp/to_scwrl_363101252.seq -o /var/tmp/from_scwrl_363101252.pdb > /var/tmp/scwrl_363101252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363101252.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 # naming current conformation PROTINFO_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1768592195.pdb -s /var/tmp/to_scwrl_1768592195.seq -o /var/tmp/from_scwrl_1768592195.pdb > /var/tmp/scwrl_1768592195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1768592195.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 T0302 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_383728735.pdb -s /var/tmp/to_scwrl_383728735.seq -o /var/tmp/from_scwrl_383728735.pdb > /var/tmp/scwrl_383728735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_383728735.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 T0302 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1684943179.pdb -s /var/tmp/to_scwrl_1684943179.seq -o /var/tmp/from_scwrl_1684943179.pdb > /var/tmp/scwrl_1684943179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684943179.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 T0302 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_20533637.pdb -s /var/tmp/to_scwrl_20533637.seq -o /var/tmp/from_scwrl_20533637.pdb > /var/tmp/scwrl_20533637.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_20533637.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_946661556.pdb -s /var/tmp/to_scwrl_946661556.seq -o /var/tmp/from_scwrl_946661556.pdb > /var/tmp/scwrl_946661556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_946661556.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 T0302 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1562690055.pdb -s /var/tmp/to_scwrl_1562690055.seq -o /var/tmp/from_scwrl_1562690055.pdb > /var/tmp/scwrl_1562690055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1562690055.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-1_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_776296600.pdb -s /var/tmp/to_scwrl_776296600.seq -o /var/tmp/from_scwrl_776296600.pdb > /var/tmp/scwrl_776296600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_776296600.pdb # conformation set from SCWRL output # naming current conformation Phyre-1_TS1-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1896513972.pdb -s /var/tmp/to_scwrl_1896513972.seq -o /var/tmp/from_scwrl_1896513972.pdb > /var/tmp/scwrl_1896513972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1896513972.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 T0302 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 119 ; scwrl -i /var/tmp/to_scwrl_923690189.pdb -s /var/tmp/to_scwrl_923690189.seq -o /var/tmp/from_scwrl_923690189.pdb > /var/tmp/scwrl_923690189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_923690189.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS2-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1250365987.pdb -s /var/tmp/to_scwrl_1250365987.seq -o /var/tmp/from_scwrl_1250365987.pdb > /var/tmp/scwrl_1250365987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250365987.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 T0302 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 119 ; scwrl -i /var/tmp/to_scwrl_1234548894.pdb -s /var/tmp/to_scwrl_1234548894.seq -o /var/tmp/from_scwrl_1234548894.pdb > /var/tmp/scwrl_1234548894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1234548894.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS4-scwrl # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_865320.pdb -s /var/tmp/to_scwrl_865320.seq -o /var/tmp/from_scwrl_865320.pdb > /var/tmp/scwrl_865320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_865320.pdb # conformation set from SCWRL output # naming current conformation Phyre-2_TS5-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1896873309.pdb -s /var/tmp/to_scwrl_1896873309.seq -o /var/tmp/from_scwrl_1896873309.pdb > /var/tmp/scwrl_1896873309.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1896873309.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS1-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1989992032.pdb -s /var/tmp/to_scwrl_1989992032.seq -o /var/tmp/from_scwrl_1989992032.pdb > /var/tmp/scwrl_1989992032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1989992032.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 T0302 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_179195037.pdb -s /var/tmp/to_scwrl_179195037.seq -o /var/tmp/from_scwrl_179195037.pdb > /var/tmp/scwrl_179195037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_179195037.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 T0302 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1263004929.pdb -s /var/tmp/to_scwrl_1263004929.seq -o /var/tmp/from_scwrl_1263004929.pdb > /var/tmp/scwrl_1263004929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1263004929.pdb # conformation set from SCWRL output # naming current conformation Pmodeller6_TS4-scwrl # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1069898240.pdb -s /var/tmp/to_scwrl_1069898240.seq -o /var/tmp/from_scwrl_1069898240.pdb > /var/tmp/scwrl_1069898240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1069898240.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 100 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_932333340.pdb -s /var/tmp/to_scwrl_932333340.seq -o /var/tmp/from_scwrl_932333340.pdb > /var/tmp/scwrl_932333340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_932333340.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 100 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_171276352.pdb -s /var/tmp/to_scwrl_171276352.seq -o /var/tmp/from_scwrl_171276352.pdb > /var/tmp/scwrl_171276352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_171276352.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 100 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1540286173.pdb -s /var/tmp/to_scwrl_1540286173.seq -o /var/tmp/from_scwrl_1540286173.pdb > /var/tmp/scwrl_1540286173.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1540286173.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 100 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1144185149.pdb -s /var/tmp/to_scwrl_1144185149.seq -o /var/tmp/from_scwrl_1144185149.pdb > /var/tmp/scwrl_1144185149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1144185149.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 100 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_929275185.pdb -s /var/tmp/to_scwrl_929275185.seq -o /var/tmp/from_scwrl_929275185.pdb > /var/tmp/scwrl_929275185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_929275185.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 115 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_467489927.pdb -s /var/tmp/to_scwrl_467489927.seq -o /var/tmp/from_scwrl_467489927.pdb > /var/tmp/scwrl_467489927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_467489927.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 115 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_986524107.pdb -s /var/tmp/to_scwrl_986524107.seq -o /var/tmp/from_scwrl_986524107.pdb > /var/tmp/scwrl_986524107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_986524107.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 119 ; scwrl -i /var/tmp/to_scwrl_997981998.pdb -s /var/tmp/to_scwrl_997981998.seq -o /var/tmp/from_scwrl_997981998.pdb > /var/tmp/scwrl_997981998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_997981998.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 112 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_938638014.pdb -s /var/tmp/to_scwrl_938638014.seq -o /var/tmp/from_scwrl_938638014.pdb > /var/tmp/scwrl_938638014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_938638014.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 101 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1597591776.pdb -s /var/tmp/to_scwrl_1597591776.seq -o /var/tmp/from_scwrl_1597591776.pdb > /var/tmp/scwrl_1597591776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1597591776.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 100 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1656835970.pdb -s /var/tmp/to_scwrl_1656835970.seq -o /var/tmp/from_scwrl_1656835970.pdb > /var/tmp/scwrl_1656835970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1656835970.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 100 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1724901046.pdb -s /var/tmp/to_scwrl_1724901046.seq -o /var/tmp/from_scwrl_1724901046.pdb > /var/tmp/scwrl_1724901046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1724901046.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 76 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1869544161.pdb -s /var/tmp/to_scwrl_1869544161.seq -o /var/tmp/from_scwrl_1869544161.pdb > /var/tmp/scwrl_1869544161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1869544161.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 100 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2019937222.pdb -s /var/tmp/to_scwrl_2019937222.seq -o /var/tmp/from_scwrl_2019937222.pdb > /var/tmp/scwrl_2019937222.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2019937222.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 100 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1346009594.pdb -s /var/tmp/to_scwrl_1346009594.seq -o /var/tmp/from_scwrl_1346009594.pdb > /var/tmp/scwrl_1346009594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1346009594.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 3 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_105789249.pdb -s /var/tmp/to_scwrl_105789249.seq -o /var/tmp/from_scwrl_105789249.pdb > /var/tmp/scwrl_105789249.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_105789249.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 84 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1557396754.pdb -s /var/tmp/to_scwrl_1557396754.seq -o /var/tmp/from_scwrl_1557396754.pdb > /var/tmp/scwrl_1557396754.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557396754.pdb # conformation set from SCWRL output # naming current conformation ROBETTA_TS2-scwrl # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1366543232.pdb -s /var/tmp/to_scwrl_1366543232.seq -o /var/tmp/from_scwrl_1366543232.pdb > /var/tmp/scwrl_1366543232.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1366543232.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 119 ; scwrl -i /var/tmp/to_scwrl_1052450806.pdb -s /var/tmp/to_scwrl_1052450806.seq -o /var/tmp/from_scwrl_1052450806.pdb > /var/tmp/scwrl_1052450806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1052450806.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 # naming current conformation ROBETTA_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_972603164.pdb -s /var/tmp/to_scwrl_972603164.seq -o /var/tmp/from_scwrl_972603164.pdb > /var/tmp/scwrl_972603164.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_972603164.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 100 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2142839832.pdb -s /var/tmp/to_scwrl_2142839832.seq -o /var/tmp/from_scwrl_2142839832.pdb > /var/tmp/scwrl_2142839832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2142839832.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 99 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_801481131.pdb -s /var/tmp/to_scwrl_801481131.seq -o /var/tmp/from_scwrl_801481131.pdb > /var/tmp/scwrl_801481131.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_801481131.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 59 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1896293352.pdb -s /var/tmp/to_scwrl_1896293352.seq -o /var/tmp/from_scwrl_1896293352.pdb > /var/tmp/scwrl_1896293352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1896293352.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 100 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1245722172.pdb -s /var/tmp/to_scwrl_1245722172.seq -o /var/tmp/from_scwrl_1245722172.pdb > /var/tmp/scwrl_1245722172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1245722172.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 100 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2036030025.pdb -s /var/tmp/to_scwrl_2036030025.seq -o /var/tmp/from_scwrl_2036030025.pdb > /var/tmp/scwrl_2036030025.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2036030025.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 T0302 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1897158673.pdb -s /var/tmp/to_scwrl_1897158673.seq -o /var/tmp/from_scwrl_1897158673.pdb > /var/tmp/scwrl_1897158673.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1897158673.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_995111835.pdb -s /var/tmp/to_scwrl_995111835.seq -o /var/tmp/from_scwrl_995111835.pdb > /var/tmp/scwrl_995111835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_995111835.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 T0302 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1878538410.pdb -s /var/tmp/to_scwrl_1878538410.seq -o /var/tmp/from_scwrl_1878538410.pdb > /var/tmp/scwrl_1878538410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1878538410.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2076353710.pdb -s /var/tmp/to_scwrl_2076353710.seq -o /var/tmp/from_scwrl_2076353710.pdb > /var/tmp/scwrl_2076353710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2076353710.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T02_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_110633117.pdb -s /var/tmp/to_scwrl_110633117.seq -o /var/tmp/from_scwrl_110633117.pdb > /var/tmp/scwrl_110633117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110633117.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_800953003.pdb -s /var/tmp/to_scwrl_800953003.seq -o /var/tmp/from_scwrl_800953003.pdb > /var/tmp/scwrl_800953003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_800953003.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL1-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_861203403.pdb -s /var/tmp/to_scwrl_861203403.seq -o /var/tmp/from_scwrl_861203403.pdb > /var/tmp/scwrl_861203403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_861203403.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL2-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_281909470.pdb -s /var/tmp/to_scwrl_281909470.seq -o /var/tmp/from_scwrl_281909470.pdb > /var/tmp/scwrl_281909470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281909470.pdb # conformation set from SCWRL output # naming current conformation SAM-T99_AL3-scwrl # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_193755530.pdb -s /var/tmp/to_scwrl_193755530.seq -o /var/tmp/from_scwrl_193755530.pdb > /var/tmp/scwrl_193755530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_193755530.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM-T99_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2005388552.pdb -s /var/tmp/to_scwrl_2005388552.seq -o /var/tmp/from_scwrl_2005388552.pdb > /var/tmp/scwrl_2005388552.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2005388552.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 77 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1211184654.pdb -s /var/tmp/to_scwrl_1211184654.seq -o /var/tmp/from_scwrl_1211184654.pdb > /var/tmp/scwrl_1211184654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1211184654.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 T0302 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_661245457.pdb -s /var/tmp/to_scwrl_661245457.seq -o /var/tmp/from_scwrl_661245457.pdb > /var/tmp/scwrl_661245457.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_661245457.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 T0302 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_844429012.pdb -s /var/tmp/to_scwrl_844429012.seq -o /var/tmp/from_scwrl_844429012.pdb > /var/tmp/scwrl_844429012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844429012.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 T0302 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_61683005.pdb -s /var/tmp/to_scwrl_61683005.seq -o /var/tmp/from_scwrl_61683005.pdb > /var/tmp/scwrl_61683005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_61683005.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1599883470.pdb -s /var/tmp/to_scwrl_1599883470.seq -o /var/tmp/from_scwrl_1599883470.pdb > /var/tmp/scwrl_1599883470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599883470.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 100 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_294537141.pdb -s /var/tmp/to_scwrl_294537141.seq -o /var/tmp/from_scwrl_294537141.pdb > /var/tmp/scwrl_294537141.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_294537141.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 100 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1718518975.pdb -s /var/tmp/to_scwrl_1718518975.seq -o /var/tmp/from_scwrl_1718518975.pdb > /var/tmp/scwrl_1718518975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718518975.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 129 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1177300869.pdb -s /var/tmp/to_scwrl_1177300869.seq -o /var/tmp/from_scwrl_1177300869.pdb > /var/tmp/scwrl_1177300869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1177300869.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 115 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_16597655.pdb -s /var/tmp/to_scwrl_16597655.seq -o /var/tmp/from_scwrl_16597655.pdb > /var/tmp/scwrl_16597655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_16597655.pdb # conformation set from SCWRL output # naming current conformation SP3_TS4-scwrl # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1590972551.pdb -s /var/tmp/to_scwrl_1590972551.seq -o /var/tmp/from_scwrl_1590972551.pdb > /var/tmp/scwrl_1590972551.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590972551.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 100 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_375826818.pdb -s /var/tmp/to_scwrl_375826818.seq -o /var/tmp/from_scwrl_375826818.pdb > /var/tmp/scwrl_375826818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_375826818.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 100 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_122386905.pdb -s /var/tmp/to_scwrl_122386905.seq -o /var/tmp/from_scwrl_122386905.pdb > /var/tmp/scwrl_122386905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_122386905.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 129 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1000885659.pdb -s /var/tmp/to_scwrl_1000885659.seq -o /var/tmp/from_scwrl_1000885659.pdb > /var/tmp/scwrl_1000885659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1000885659.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 115 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1742370050.pdb -s /var/tmp/to_scwrl_1742370050.seq -o /var/tmp/from_scwrl_1742370050.pdb > /var/tmp/scwrl_1742370050.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1742370050.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 96 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1174837710.pdb -s /var/tmp/to_scwrl_1174837710.seq -o /var/tmp/from_scwrl_1174837710.pdb > /var/tmp/scwrl_1174837710.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1174837710.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 100 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1973488822.pdb -s /var/tmp/to_scwrl_1973488822.seq -o /var/tmp/from_scwrl_1973488822.pdb > /var/tmp/scwrl_1973488822.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1973488822.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 100 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1737726235.pdb -s /var/tmp/to_scwrl_1737726235.seq -o /var/tmp/from_scwrl_1737726235.pdb > /var/tmp/scwrl_1737726235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1737726235.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 129 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1976318841.pdb -s /var/tmp/to_scwrl_1976318841.seq -o /var/tmp/from_scwrl_1976318841.pdb > /var/tmp/scwrl_1976318841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1976318841.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 96 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1722298528.pdb -s /var/tmp/to_scwrl_1722298528.seq -o /var/tmp/from_scwrl_1722298528.pdb > /var/tmp/scwrl_1722298528.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1722298528.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 # naming current conformation SPARKS2_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_835964762.pdb -s /var/tmp/to_scwrl_835964762.seq -o /var/tmp/from_scwrl_835964762.pdb > /var/tmp/scwrl_835964762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_835964762.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1864865219.pdb -s /var/tmp/to_scwrl_1864865219.seq -o /var/tmp/from_scwrl_1864865219.pdb > /var/tmp/scwrl_1864865219.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1864865219.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1471973554.pdb -s /var/tmp/to_scwrl_1471973554.seq -o /var/tmp/from_scwrl_1471973554.pdb > /var/tmp/scwrl_1471973554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1471973554.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1831076596.pdb -s /var/tmp/to_scwrl_1831076596.seq -o /var/tmp/from_scwrl_1831076596.pdb > /var/tmp/scwrl_1831076596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1831076596.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 T0302 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1595919983.pdb -s /var/tmp/to_scwrl_1595919983.seq -o /var/tmp/from_scwrl_1595919983.pdb > /var/tmp/scwrl_1595919983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595919983.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 T0302 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1400843617.pdb -s /var/tmp/to_scwrl_1400843617.seq -o /var/tmp/from_scwrl_1400843617.pdb > /var/tmp/scwrl_1400843617.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400843617.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_expm_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1941709714.pdb -s /var/tmp/to_scwrl_1941709714.seq -o /var/tmp/from_scwrl_1941709714.pdb > /var/tmp/scwrl_1941709714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1941709714.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_249389339.pdb -s /var/tmp/to_scwrl_249389339.seq -o /var/tmp/from_scwrl_249389339.pdb > /var/tmp/scwrl_249389339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249389339.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_114563373.pdb -s /var/tmp/to_scwrl_114563373.seq -o /var/tmp/from_scwrl_114563373.pdb > /var/tmp/scwrl_114563373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_114563373.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_sfst_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_76135537.pdb -s /var/tmp/to_scwrl_76135537.seq -o /var/tmp/from_scwrl_76135537.pdb > /var/tmp/scwrl_76135537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_76135537.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 T0302 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_443144869.pdb -s /var/tmp/to_scwrl_443144869.seq -o /var/tmp/from_scwrl_443144869.pdb > /var/tmp/scwrl_443144869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_443144869.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 T0302 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2119951926.pdb -s /var/tmp/to_scwrl_2119951926.seq -o /var/tmp/from_scwrl_2119951926.pdb > /var/tmp/scwrl_2119951926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2119951926.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 70 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1287320191.pdb -s /var/tmp/to_scwrl_1287320191.seq -o /var/tmp/from_scwrl_1287320191.pdb > /var/tmp/scwrl_1287320191.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1287320191.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 2 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1104390326.pdb -s /var/tmp/to_scwrl_1104390326.seq -o /var/tmp/from_scwrl_1104390326.pdb > /var/tmp/scwrl_1104390326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1104390326.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 115 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_816897291.pdb -s /var/tmp/to_scwrl_816897291.seq -o /var/tmp/from_scwrl_816897291.pdb > /var/tmp/scwrl_816897291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_816897291.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 69 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1349003196.pdb -s /var/tmp/to_scwrl_1349003196.seq -o /var/tmp/from_scwrl_1349003196.pdb > /var/tmp/scwrl_1349003196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349003196.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 76 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_556790150.pdb -s /var/tmp/to_scwrl_556790150.seq -o /var/tmp/from_scwrl_556790150.pdb > /var/tmp/scwrl_556790150.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556790150.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 131 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1111434432.pdb -s /var/tmp/to_scwrl_1111434432.seq -o /var/tmp/from_scwrl_1111434432.pdb > /var/tmp/scwrl_1111434432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1111434432.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 T0302 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_920038525.pdb -s /var/tmp/to_scwrl_920038525.seq -o /var/tmp/from_scwrl_920038525.pdb > /var/tmp/scwrl_920038525.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_920038525.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 T0302 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1734091020.pdb -s /var/tmp/to_scwrl_1734091020.seq -o /var/tmp/from_scwrl_1734091020.pdb > /var/tmp/scwrl_1734091020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734091020.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 T0302 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1128032087.pdb -s /var/tmp/to_scwrl_1128032087.seq -o /var/tmp/from_scwrl_1128032087.pdb > /var/tmp/scwrl_1128032087.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1128032087.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 T0302 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_363527429.pdb -s /var/tmp/to_scwrl_363527429.seq -o /var/tmp/from_scwrl_363527429.pdb > /var/tmp/scwrl_363527429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363527429.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2109917838.pdb -s /var/tmp/to_scwrl_2109917838.seq -o /var/tmp/from_scwrl_2109917838.pdb > /var/tmp/scwrl_2109917838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109917838.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 T0302 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1250418992.pdb -s /var/tmp/to_scwrl_1250418992.seq -o /var/tmp/from_scwrl_1250418992.pdb > /var/tmp/scwrl_1250418992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250418992.pdb # conformation set from SCWRL output # naming current conformation forecast-s_AL5-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation gtg_AL1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1364413088.pdb -s /var/tmp/to_scwrl_1364413088.seq -o /var/tmp/from_scwrl_1364413088.pdb > /var/tmp/scwrl_1364413088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1364413088.pdb # conformation set from SCWRL output # naming current conformation gtg_AL1-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation gtg_AL2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1704804241.pdb -s /var/tmp/to_scwrl_1704804241.seq -o /var/tmp/from_scwrl_1704804241.pdb > /var/tmp/scwrl_1704804241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704804241.pdb # conformation set from SCWRL output # naming current conformation gtg_AL2-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation gtg_AL3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_277773056.pdb -s /var/tmp/to_scwrl_277773056.seq -o /var/tmp/from_scwrl_277773056.pdb > /var/tmp/scwrl_277773056.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_277773056.pdb # conformation set from SCWRL output # naming current conformation gtg_AL3-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation gtg_AL4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1190418263.pdb -s /var/tmp/to_scwrl_1190418263.seq -o /var/tmp/from_scwrl_1190418263.pdb > /var/tmp/scwrl_1190418263.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1190418263.pdb # conformation set from SCWRL output # naming current conformation gtg_AL4-scwrl # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1295046829.pdb -s /var/tmp/to_scwrl_1295046829.seq -o /var/tmp/from_scwrl_1295046829.pdb > /var/tmp/scwrl_1295046829.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1295046829.pdb # conformation set from SCWRL output # naming current conformation gtg_AL5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_106608250.pdb -s /var/tmp/to_scwrl_106608250.seq -o /var/tmp/from_scwrl_106608250.pdb > /var/tmp/scwrl_106608250.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_106608250.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 113 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_765233145.pdb -s /var/tmp/to_scwrl_765233145.seq -o /var/tmp/from_scwrl_765233145.pdb > /var/tmp/scwrl_765233145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_765233145.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 # naming current conformation karypis.srv.2_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2131011591.pdb -s /var/tmp/to_scwrl_2131011591.seq -o /var/tmp/from_scwrl_2131011591.pdb > /var/tmp/scwrl_2131011591.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131011591.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 100 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1971473470.pdb -s /var/tmp/to_scwrl_1971473470.seq -o /var/tmp/from_scwrl_1971473470.pdb > /var/tmp/scwrl_1971473470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1971473470.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 122 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_89723052.pdb -s /var/tmp/to_scwrl_89723052.seq -o /var/tmp/from_scwrl_89723052.pdb > /var/tmp/scwrl_89723052.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_89723052.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.2_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 126 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1814604541.pdb -s /var/tmp/to_scwrl_1814604541.seq -o /var/tmp/from_scwrl_1814604541.pdb > /var/tmp/scwrl_1814604541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1814604541.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS1-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1419909806.pdb -s /var/tmp/to_scwrl_1419909806.seq -o /var/tmp/from_scwrl_1419909806.pdb > /var/tmp/scwrl_1419909806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419909806.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS2-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1490566669.pdb -s /var/tmp/to_scwrl_1490566669.seq -o /var/tmp/from_scwrl_1490566669.pdb > /var/tmp/scwrl_1490566669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1490566669.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS3-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1608830608.pdb -s /var/tmp/to_scwrl_1608830608.seq -o /var/tmp/from_scwrl_1608830608.pdb > /var/tmp/scwrl_1608830608.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1608830608.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS4-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1669299145.pdb -s /var/tmp/to_scwrl_1669299145.seq -o /var/tmp/from_scwrl_1669299145.pdb > /var/tmp/scwrl_1669299145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1669299145.pdb # conformation set from SCWRL output # naming current conformation karypis.srv.4_TS5-scwrl # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0302 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1605130043.pdb -s /var/tmp/to_scwrl_1605130043.seq -o /var/tmp/from_scwrl_1605130043.pdb > /var/tmp/scwrl_1605130043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1605130043.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 T0302 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1684966145.pdb -s /var/tmp/to_scwrl_1684966145.seq -o /var/tmp/from_scwrl_1684966145.pdb > /var/tmp/scwrl_1684966145.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684966145.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 T0302 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_2112444015.pdb -s /var/tmp/to_scwrl_2112444015.seq -o /var/tmp/from_scwrl_2112444015.pdb > /var/tmp/scwrl_2112444015.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2112444015.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1577598322.pdb -s /var/tmp/to_scwrl_1577598322.seq -o /var/tmp/from_scwrl_1577598322.pdb > /var/tmp/scwrl_1577598322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1577598322.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 # Found a chain break before 127 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_824802690.pdb -s /var/tmp/to_scwrl_824802690.seq -o /var/tmp/from_scwrl_824802690.pdb > /var/tmp/scwrl_824802690.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_824802690.pdb # conformation set from SCWRL output # naming current conformation karypis.srv_TS5-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1069350695.pdb -s /var/tmp/to_scwrl_1069350695.seq -o /var/tmp/from_scwrl_1069350695.pdb > /var/tmp/scwrl_1069350695.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1069350695.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS1-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 105 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_247011966.pdb -s /var/tmp/to_scwrl_247011966.seq -o /var/tmp/from_scwrl_247011966.pdb > /var/tmp/scwrl_247011966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_247011966.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 119 ; scwrl -i /var/tmp/to_scwrl_26322239.pdb -s /var/tmp/to_scwrl_26322239.seq -o /var/tmp/from_scwrl_26322239.pdb > /var/tmp/scwrl_26322239.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_26322239.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 # Found a chain break before 63 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1626140844.pdb -s /var/tmp/to_scwrl_1626140844.seq -o /var/tmp/from_scwrl_1626140844.pdb > /var/tmp/scwrl_1626140844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1626140844.pdb # conformation set from SCWRL output # naming current conformation keasar-server_TS4-scwrl # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1358446398.pdb -s /var/tmp/to_scwrl_1358446398.seq -o /var/tmp/from_scwrl_1358446398.pdb > /var/tmp/scwrl_1358446398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1358446398.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 T0302 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_946360764.pdb -s /var/tmp/to_scwrl_946360764.seq -o /var/tmp/from_scwrl_946360764.pdb > /var/tmp/scwrl_946360764.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_946360764.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 T0302 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1212748217.pdb -s /var/tmp/to_scwrl_1212748217.seq -o /var/tmp/from_scwrl_1212748217.pdb > /var/tmp/scwrl_1212748217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1212748217.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS2 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_338994840.pdb -s /var/tmp/to_scwrl_338994840.seq -o /var/tmp/from_scwrl_338994840.pdb > /var/tmp/scwrl_338994840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_338994840.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 T0302 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1309888193.pdb -s /var/tmp/to_scwrl_1309888193.seq -o /var/tmp/from_scwrl_1309888193.pdb > /var/tmp/scwrl_1309888193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1309888193.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 T0302 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1175182408.pdb -s /var/tmp/to_scwrl_1175182408.seq -o /var/tmp/from_scwrl_1175182408.pdb > /var/tmp/scwrl_1175182408.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1175182408.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 T0302 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_1589413832.pdb -s /var/tmp/to_scwrl_1589413832.seq -o /var/tmp/from_scwrl_1589413832.pdb > /var/tmp/scwrl_1589413832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1589413832.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 T0302 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_526817635.pdb -s /var/tmp/to_scwrl_526817635.seq -o /var/tmp/from_scwrl_526817635.pdb > /var/tmp/scwrl_526817635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_526817635.pdb # conformation set from SCWRL output # naming current conformation panther2_TS1-scwrl # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # request to SCWRL produces command: ulimit -t 119 ; scwrl -i /var/tmp/to_scwrl_732503003.pdb -s /var/tmp/to_scwrl_732503003.seq -o /var/tmp/from_scwrl_732503003.pdb > /var/tmp/scwrl_732503003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_732503003.pdb # conformation set from SCWRL output # naming current conformation shub_TS1-scwrl # command:CPU_time= 29.907 sec, elapsed time= 584.104 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 362.483 real_cost = -135.115 shub_TS1 costs 352.705 real_cost = -129.125 panther2_TS1-scwrl costs 465.617 real_cost = -100.560 panther2_TS1 costs 467.357 real_cost = -107.428 nFOLD_TS5-scwrl costs 480.898 real_cost = 250.278 nFOLD_TS5 costs 8577.055 real_cost = 307.712 nFOLD_TS4-scwrl costs 455.698 real_cost = 262.660 nFOLD_TS4 costs 26288.924 real_cost = 334.568 nFOLD_TS3-scwrl costs 442.804 real_cost = 7.584 nFOLD_TS3 costs 6440.341 real_cost = 67.286 nFOLD_TS2-scwrl costs 832.961 real_cost = 1.321 nFOLD_TS2 costs 6607.227 real_cost = 1.329 nFOLD_TS1-scwrl costs 369.417 real_cost = -152.441 nFOLD_TS1 costs 9344.860 real_cost = -89.387 mGen-3D_TS1-scwrl costs 369.417 real_cost = -152.441 mGen-3D_TS1 costs 9344.860 real_cost = -89.387 keasar-server_TS5-scwrl costs 326.965 real_cost = -112.509 keasar-server_TS5 costs 331.748 real_cost = -94.434 keasar-server_TS4-scwrl costs 340.740 real_cost = -127.898 keasar-server_TS4 costs 335.167 real_cost = -134.626 keasar-server_TS3-scwrl costs 331.830 real_cost = -119.094 keasar-server_TS3 costs 331.719 real_cost = -110.376 keasar-server_TS2-scwrl costs 338.104 real_cost = -150.419 keasar-server_TS2 costs 335.328 real_cost = -136.681 keasar-server_TS1-scwrl costs 343.420 real_cost = -114.758 keasar-server_TS1 costs 342.741 real_cost = -119.916 karypis.srv_TS5-scwrl costs 339.012 real_cost = -76.805 karypis.srv_TS5 costs 337.202 real_cost = -77.013 karypis.srv_TS4-scwrl costs 364.679 real_cost = -16.149 karypis.srv_TS4 costs 364.658 real_cost = -16.150 karypis.srv_TS3-scwrl costs 381.908 real_cost = -94.669 karypis.srv_TS3 costs 367.842 real_cost = -103.224 karypis.srv_TS2-scwrl costs 377.190 real_cost = -155.422 karypis.srv_TS2 costs 362.444 real_cost = -165.967 karypis.srv_TS1-scwrl costs 379.744 real_cost = -71.176 karypis.srv_TS1 costs 367.963 real_cost = -77.454 karypis.srv.4_TS5-scwrl costs 530.444 real_cost = 252.382 karypis.srv.4_TS5 costs 530.836 real_cost = 252.567 karypis.srv.4_TS4-scwrl costs 478.166 real_cost = 266.219 karypis.srv.4_TS4 costs 478.166 real_cost = 266.219 karypis.srv.4_TS3-scwrl costs 531.922 real_cost = 311.996 karypis.srv.4_TS3 costs 532.323 real_cost = 308.655 karypis.srv.4_TS2-scwrl costs 544.905 real_cost = 322.716 karypis.srv.4_TS2 costs 545.316 real_cost = 322.719 karypis.srv.4_TS1-scwrl costs 500.536 real_cost = 222.002 karypis.srv.4_TS1 costs 500.536 real_cost = 222.002 karypis.srv.2_TS5-scwrl costs 316.389 real_cost = -167.842 karypis.srv.2_TS5 costs 316.389 real_cost = -167.842 karypis.srv.2_TS4-scwrl costs 329.763 real_cost = -175.290 karypis.srv.2_TS4 costs 327.670 real_cost = -175.258 karypis.srv.2_TS3-scwrl costs 324.571 real_cost = -71.046 karypis.srv.2_TS3 costs 324.571 real_cost = -71.046 karypis.srv.2_TS2-scwrl costs 324.599 real_cost = -160.940 karypis.srv.2_TS2 costs 324.599 real_cost = -160.940 karypis.srv.2_TS1-scwrl costs 323.157 real_cost = -86.170 karypis.srv.2_TS1 costs 323.157 real_cost = -86.170 gtg_AL5-scwrl costs 383.084 real_cost = -55.495 gtg_AL5 costs 6773.613 real_cost = 24.745 gtg_AL4-scwrl costs 429.964 real_cost = 109.633 gtg_AL4 costs 16234.168 real_cost = 220.817 gtg_AL3-scwrl costs 352.782 real_cost = -181.310 gtg_AL3 costs 11850.956 real_cost = -89.606 gtg_AL2-scwrl costs 334.963 real_cost = -164.249 gtg_AL2 costs 22591.447 real_cost = -66.573 gtg_AL1-scwrl costs 358.859 real_cost = -138.707 gtg_AL1 costs 13047.813 real_cost = -39.923 forecast-s_AL5-scwrl costs 601.161 real_cost = 115.117 forecast-s_AL5 costs 17768.877 real_cost = 172.980 forecast-s_AL4-scwrl costs 1056.345 real_cost = 73.244 forecast-s_AL4 costs 52422.153 real_cost = 73.244 forecast-s_AL3-scwrl costs 481.775 real_cost = -64.128 forecast-s_AL3 costs 8536.143 real_cost = -13.931 forecast-s_AL2-scwrl costs 416.132 real_cost = -63.109 forecast-s_AL2 costs 45888.559 real_cost = 16.743 forecast-s_AL1-scwrl costs 369.417 real_cost = -152.441 forecast-s_AL1 costs 29461.310 real_cost = -65.500 beautshotbase_TS1-scwrl costs 396.107 real_cost = -145.179 beautshotbase_TS1 costs 376.178 real_cost = -156.502 beautshot_TS1-scwrl costs 362.013 real_cost = -149.938 beautshot_TS1 costs 351.873 real_cost = -138.902 Zhang-Server_TS5-scwrl costs 329.839 real_cost = -176.588 Zhang-Server_TS5 costs 339.305 real_cost = -164.624 Zhang-Server_TS4-scwrl costs 320.499 real_cost = -193.927 Zhang-Server_TS4 costs 329.227 real_cost = -200.323 Zhang-Server_TS3-scwrl costs 317.802 real_cost = -195.550 Zhang-Server_TS3 costs 326.854 real_cost = -193.946 Zhang-Server_TS2-scwrl costs 322.615 real_cost = -185.804 Zhang-Server_TS2 costs 333.941 real_cost = -188.921 Zhang-Server_TS1-scwrl costs 320.930 real_cost = -188.491 Zhang-Server_TS1 costs 330.295 real_cost = -185.465 UNI-EID_sfst_AL5-scwrl costs 395.185 real_cost = -48.145 UNI-EID_sfst_AL5 costs 7820.847 real_cost = 33.334 UNI-EID_sfst_AL4-scwrl costs 369.417 real_cost = -152.441 UNI-EID_sfst_AL4 costs 29461.310 real_cost = -65.500 UNI-EID_sfst_AL3-scwrl costs 995.418 real_cost = -50.481 UNI-EID_sfst_AL3 costs 6184.821 real_cost = -50.481 UNI-EID_sfst_AL2-scwrl costs 347.893 real_cost = -161.907 UNI-EID_sfst_AL2 costs 22535.774 real_cost = -65.600 UNI-EID_sfst_AL1-scwrl costs 328.087 real_cost = -132.936 UNI-EID_sfst_AL1 costs 12030.765 real_cost = -35.393 UNI-EID_expm_TS1-scwrl costs 848.841 real_cost = -91.849 UNI-EID_expm_TS1 costs 9613.903 real_cost = -91.825 UNI-EID_bnmx_TS5-scwrl costs 395.185 real_cost = -48.145 UNI-EID_bnmx_TS5 costs 7820.847 real_cost = 33.334 UNI-EID_bnmx_TS4-scwrl costs 369.417 real_cost = -152.441 UNI-EID_bnmx_TS4 costs 29461.310 real_cost = -65.500 UNI-EID_bnmx_TS3-scwrl costs 995.418 real_cost = -50.481 UNI-EID_bnmx_TS3 costs 6184.821 real_cost = -50.481 UNI-EID_bnmx_TS2-scwrl costs 347.893 real_cost = -161.907 UNI-EID_bnmx_TS2 costs 22535.774 real_cost = -65.600 UNI-EID_bnmx_TS1-scwrl costs 328.087 real_cost = -132.936 UNI-EID_bnmx_TS1 costs 12030.765 real_cost = -35.393 SPARKS2_TS5-scwrl costs 346.375 real_cost = -27.578 SPARKS2_TS5 costs 353.392 real_cost = -36.559 SPARKS2_TS4-scwrl costs 397.042 real_cost = 114.358 SPARKS2_TS4 costs 408.917 real_cost = 111.820 SPARKS2_TS3-scwrl costs 342.088 real_cost = -109.181 SPARKS2_TS3 costs 354.761 real_cost = -107.064 SPARKS2_TS2-scwrl costs 320.965 real_cost = -141.381 SPARKS2_TS2 costs 329.656 real_cost = -138.015 SPARKS2_TS1-scwrl costs 326.854 real_cost = -174.572 SPARKS2_TS1 costs 337.260 real_cost = -167.517 SP4_TS5-scwrl costs 397.042 real_cost = 114.358 SP4_TS5 costs 408.917 real_cost = 111.820 SP4_TS4-scwrl costs 336.789 real_cost = -72.341 SP4_TS4 costs 345.254 real_cost = -71.177 SP4_TS3-scwrl costs 342.088 real_cost = -109.181 SP4_TS3 costs 354.761 real_cost = -107.064 SP4_TS2-scwrl costs 314.793 real_cost = -136.587 SP4_TS2 costs 321.625 real_cost = -134.036 SP4_TS1-scwrl costs 326.854 real_cost = -174.572 SP4_TS1 costs 337.260 real_cost = -167.517 SP3_TS5-scwrl costs 397.042 real_cost = 114.358 SP3_TS5 costs 408.917 real_cost = 111.820 SP3_TS4-scwrl costs 330.504 real_cost = -88.615 SP3_TS4 costs 335.800 real_cost = -81.324 SP3_TS3-scwrl costs 342.088 real_cost = -109.181 SP3_TS3 costs 354.761 real_cost = -107.064 SP3_TS2-scwrl costs 321.601 real_cost = -143.473 SP3_TS2 costs 327.855 real_cost = -137.589 SP3_TS1-scwrl costs 326.854 real_cost = -174.572 SP3_TS1 costs 337.260 real_cost = -167.517 SAM_T06_server_TS5-scwrl costs 411.980 real_cost = -93.187 SAM_T06_server_TS5 costs 411.156 real_cost = -94.254 SAM_T06_server_TS4-scwrl costs 519.241 real_cost = 150.854 SAM_T06_server_TS4 costs 469.700 real_cost = 131.548 SAM_T06_server_TS3-scwrl costs 387.208 real_cost = -138.210 SAM_T06_server_TS3 costs 359.626 real_cost = -154.191 SAM_T06_server_TS2-scwrl costs 388.579 real_cost = -139.559 SAM_T06_server_TS2 costs 380.195 real_cost = -147.405 SAM_T06_server_TS1-scwrl costs 299.499 real_cost = -133.856 SAM_T06_server_TS1 costs 295.873 real_cost = -141.192 SAM-T99_AL5-scwrl costs 349.919 real_cost = -176.990 SAM-T99_AL5 costs 8365.626 real_cost = -74.398 SAM-T99_AL4-scwrl costs 336.266 real_cost = -179.447 SAM-T99_AL4 costs 12426.773 real_cost = -85.459 SAM-T99_AL3-scwrl costs 349.142 real_cost = -62.650 SAM-T99_AL3 costs 6690.026 real_cost = 30.189 SAM-T99_AL2-scwrl costs 388.522 real_cost = -141.728 SAM-T99_AL2 costs 21760.833 real_cost = -60.074 SAM-T99_AL1-scwrl costs 338.029 real_cost = -133.328 SAM-T99_AL1 costs 11996.511 real_cost = -37.024 SAM-T02_AL5-scwrl costs 1027.710 real_cost = 7.298 SAM-T02_AL5 costs 6213.571 real_cost = 7.298 SAM-T02_AL4-scwrl costs 995.593 real_cost = -24.785 SAM-T02_AL4 costs 12069.554 real_cost = -24.785 SAM-T02_AL3-scwrl costs 375.889 real_cost = -150.351 SAM-T02_AL3 costs 21830.184 real_cost = -66.711 SAM-T02_AL2-scwrl costs 434.349 real_cost = 109.382 SAM-T02_AL2 costs 16223.525 real_cost = 220.015 SAM-T02_AL1-scwrl costs 361.530 real_cost = -133.355 SAM-T02_AL1 costs 8543.800 real_cost = -49.606 ROKKY_TS5-scwrl costs 317.923 real_cost = -182.781 ROKKY_TS5 costs 330.175 real_cost = -175.762 ROKKY_TS4-scwrl costs 335.668 real_cost = -131.552 ROKKY_TS4 costs 345.400 real_cost = -141.719 ROKKY_TS3-scwrl costs 328.535 real_cost = -54.203 ROKKY_TS3 costs 341.501 real_cost = -55.111 ROKKY_TS2-scwrl costs 352.833 real_cost = -74.008 ROKKY_TS2 costs 365.195 real_cost = -68.814 ROKKY_TS1-scwrl costs 318.221 real_cost = -133.363 ROKKY_TS1 costs 323.933 real_cost = -141.954 ROBETTA_TS5-scwrl costs 318.953 real_cost = -91.499 ROBETTA_TS5 costs 314.966 real_cost = -89.500 ROBETTA_TS4-scwrl costs 310.742 real_cost = -149.721 ROBETTA_TS4 costs 306.983 real_cost = -151.317 ROBETTA_TS3-scwrl costs 308.917 real_cost = -151.824 ROBETTA_TS3 costs 304.625 real_cost = -149.955 ROBETTA_TS2-scwrl costs 316.547 real_cost = -136.300 ROBETTA_TS2 costs 311.940 real_cost = -135.947 ROBETTA_TS1-scwrl costs 313.487 real_cost = -147.744 ROBETTA_TS1 costs 309.589 real_cost = -149.935 RAPTOR_TS5-scwrl costs 328.535 real_cost = -177.754 RAPTOR_TS5 costs 339.374 real_cost = -179.832 RAPTOR_TS4-scwrl costs 320.403 real_cost = -131.493 RAPTOR_TS4 costs 328.724 real_cost = -133.573 RAPTOR_TS3-scwrl costs 315.529 real_cost = -176.812 RAPTOR_TS3 costs 327.770 real_cost = -176.756 RAPTOR_TS2-scwrl costs 320.227 real_cost = -155.792 RAPTOR_TS2 costs 330.196 real_cost = -148.226 RAPTOR_TS1-scwrl costs 339.781 real_cost = -139.887 RAPTOR_TS1 costs 343.000 real_cost = -140.936 RAPTORESS_TS5-scwrl costs 327.788 real_cost = -173.265 RAPTORESS_TS5 costs 335.215 real_cost = -183.166 RAPTORESS_TS4-scwrl costs 324.461 real_cost = -123.839 RAPTORESS_TS4 costs 330.050 real_cost = -123.434 RAPTORESS_TS3-scwrl costs 322.646 real_cost = -178.818 RAPTORESS_TS3 costs 331.128 real_cost = -171.037 RAPTORESS_TS2-scwrl costs 338.085 real_cost = -146.437 RAPTORESS_TS2 costs 331.945 real_cost = -148.812 RAPTORESS_TS1-scwrl costs 331.652 real_cost = -147.536 RAPTORESS_TS1 costs 331.576 real_cost = -148.484 RAPTOR-ACE_TS5-scwrl costs 330.225 real_cost = -175.916 RAPTOR-ACE_TS5 costs 342.675 real_cost = -174.809 RAPTOR-ACE_TS4-scwrl costs 330.356 real_cost = -171.506 RAPTOR-ACE_TS4 costs 341.543 real_cost = -179.138 RAPTOR-ACE_TS3-scwrl costs 326.854 real_cost = -174.572 RAPTOR-ACE_TS3 costs 337.260 real_cost = -167.517 RAPTOR-ACE_TS2-scwrl costs 342.605 real_cost = -77.654 RAPTOR-ACE_TS2 costs 349.246 real_cost = -82.777 RAPTOR-ACE_TS1-scwrl costs 330.356 real_cost = -171.506 RAPTOR-ACE_TS1 costs 341.543 real_cost = -179.138 Pmodeller6_TS5-scwrl costs 370.763 real_cost = -143.292 Pmodeller6_TS5 costs 353.752 real_cost = -152.770 Pmodeller6_TS4-scwrl costs 370.763 real_cost = -143.292 Pmodeller6_TS4 costs 353.752 real_cost = -152.770 Pmodeller6_TS3-scwrl costs 370.763 real_cost = -143.292 Pmodeller6_TS3 costs 353.752 real_cost = -152.770 Pmodeller6_TS2-scwrl costs 338.249 real_cost = -154.037 Pmodeller6_TS2 costs 338.382 real_cost = -152.766 Pmodeller6_TS1-scwrl costs 363.496 real_cost = -126.985 Pmodeller6_TS1 costs 346.121 real_cost = -136.835 Phyre-2_TS5-scwrl costs 319.913 real_cost = -181.183 Phyre-2_TS5 costs 329.339 real_cost = -181.273 Phyre-2_TS4-scwrl costs 356.045 real_cost = -159.839 Phyre-2_TS4 costs 361.818 real_cost = -148.529 Phyre-2_TS3-scwrl costs 319.913 real_cost = -181.183 Phyre-2_TS3 costs 329.339 real_cost = -181.273 Phyre-2_TS2-scwrl costs 355.717 real_cost = -159.839 Phyre-2_TS2 costs 361.507 real_cost = -149.614 Phyre-2_TS1-scwrl costs 355.837 real_cost = -159.839 Phyre-2_TS1 costs 361.666 real_cost = -149.935 Phyre-1_TS1-scwrl costs 337.647 real_cost = -133.328 Phyre-1_TS1 costs 337.614 real_cost = -132.793 Pcons6_TS5-scwrl costs 351.061 real_cost = -141.464 Pcons6_TS5 costs 334.399 real_cost = -150.475 Pcons6_TS4-scwrl costs 338.249 real_cost = -154.037 Pcons6_TS4 costs 338.382 real_cost = -152.766 Pcons6_TS3-scwrl costs 384.669 real_cost = -137.376 Pcons6_TS3 costs 366.883 real_cost = -143.023 Pcons6_TS2-scwrl costs 370.763 real_cost = -143.292 Pcons6_TS2 costs 353.752 real_cost = -152.770 Pcons6_TS1-scwrl costs 370.763 real_cost = -143.292 Pcons6_TS1 costs 353.752 real_cost = -152.770 PROTINFO_TS5-scwrl costs 325.877 real_cost = -184.262 PROTINFO_TS5 costs 325.626 real_cost = -181.461 PROTINFO_TS4-scwrl costs 319.545 real_cost = -161.166 PROTINFO_TS4 costs 317.759 real_cost = -163.228 PROTINFO_TS3-scwrl costs 326.553 real_cost = -181.174 PROTINFO_TS3 costs 328.617 real_cost = -172.957 PROTINFO_TS2-scwrl costs 321.977 real_cost = -135.061 PROTINFO_TS2 costs 321.038 real_cost = -138.249 PROTINFO_TS1-scwrl costs 327.021 real_cost = -181.328 PROTINFO_TS1 costs 323.737 real_cost = -190.561 PROTINFO-AB_TS5-scwrl costs 329.292 real_cost = -175.511 PROTINFO-AB_TS5 costs 331.224 real_cost = -183.925 PROTINFO-AB_TS4-scwrl costs 326.736 real_cost = -180.627 PROTINFO-AB_TS4 costs 329.257 real_cost = -178.222 PROTINFO-AB_TS3-scwrl costs 330.209 real_cost = -179.081 PROTINFO-AB_TS3 costs 332.071 real_cost = -181.267 PROTINFO-AB_TS2-scwrl costs 325.877 real_cost = -184.262 PROTINFO-AB_TS2 costs 325.626 real_cost = -181.461 PROTINFO-AB_TS1-scwrl costs 326.553 real_cost = -181.174 PROTINFO-AB_TS1 costs 328.617 real_cost = -172.957 NN_PUT_lab_TS1-scwrl costs 357.424 real_cost = -140.857 NN_PUT_lab_TS1 costs 356.134 real_cost = -129.071 MetaTasser_TS1-scwrl costs 346.842 real_cost = -158.711 MetaTasser_TS1 costs 378.670 real_cost = -165.553 Ma-OPUS-server_TS5-scwrl costs 338.298 real_cost = -46.003 Ma-OPUS-server_TS5 costs 350.742 real_cost = -45.275 Ma-OPUS-server_TS4-scwrl costs 358.789 real_cost = -15.152 Ma-OPUS-server_TS4 costs 364.305 real_cost = -6.530 Ma-OPUS-server_TS3-scwrl costs 328.508 real_cost = -100.658 Ma-OPUS-server_TS3 costs 340.969 real_cost = -97.471 Ma-OPUS-server_TS2-scwrl costs 332.874 real_cost = -174.229 Ma-OPUS-server_TS2 costs 340.918 real_cost = -174.835 Ma-OPUS-server_TS1-scwrl costs 316.613 real_cost = -148.976 Ma-OPUS-server_TS1 costs 325.320 real_cost = -143.869 MIG_FROST_AL1-scwrl costs 347.563 real_cost = -142.832 MIG_FROST_AL1 costs 8605.318 real_cost = -48.330 LOOPP_TS5-scwrl costs 359.318 real_cost = -147.261 LOOPP_TS5 costs 351.207 real_cost = -141.198 LOOPP_TS4-scwrl costs 370.610 real_cost = -52.238 LOOPP_TS4 costs 355.274 real_cost = -57.637 LOOPP_TS3-scwrl costs 340.270 real_cost = -124.160 LOOPP_TS3 costs 333.726 real_cost = -128.964 LOOPP_TS2-scwrl costs 344.754 real_cost = -154.440 LOOPP_TS2 costs 341.453 real_cost = -160.169 LOOPP_TS1-scwrl costs 357.424 real_cost = -140.857 LOOPP_TS1 costs 356.134 real_cost = -129.071 Huber-Torda-Server_TS5-scwrl costs 804.553 real_cost = -68.808 Huber-Torda-Server_TS5 costs 8253.648 real_cost = -68.811 Huber-Torda-Server_TS4-scwrl costs 400.163 real_cost = -46.589 Huber-Torda-Server_TS4 costs 3107.868 real_cost = 11.174 Huber-Torda-Server_TS3-scwrl costs 369.417 real_cost = -152.441 Huber-Torda-Server_TS3 costs 9344.860 real_cost = -89.387 Huber-Torda-Server_TS2-scwrl costs 817.788 real_cost = -74.727 Huber-Torda-Server_TS2 costs 2781.049 real_cost = -74.744 Huber-Torda-Server_TS1-scwrl costs 794.797 real_cost = -65.960 Huber-Torda-Server_TS1 costs 3978.952 real_cost = -65.944 HHpred3_TS1-scwrl costs 311.323 real_cost = -172.307 HHpred3_TS1 costs 321.117 real_cost = -173.284 HHpred2_TS1-scwrl costs 311.323 real_cost = -172.307 HHpred2_TS1 costs 321.117 real_cost = -173.284 HHpred1_TS1-scwrl costs 330.007 real_cost = -171.859 HHpred1_TS1 costs 340.409 real_cost = -176.398 GeneSilicoMetaServer_TS5-scwrl costs 340.313 real_cost = -85.470 GeneSilicoMetaServer_TS5 costs 347.358 real_cost = -89.962 GeneSilicoMetaServer_TS4-scwrl costs 330.027 real_cost = -132.079 GeneSilicoMetaServer_TS4 costs 336.411 real_cost = -137.763 GeneSilicoMetaServer_TS3-scwrl costs 318.045 real_cost = -178.867 GeneSilicoMetaServer_TS3 costs 327.818 real_cost = -169.800 GeneSilicoMetaServer_TS2-scwrl costs 331.310 real_cost = -171.808 GeneSilicoMetaServer_TS2 costs 337.250 real_cost = -171.319 GeneSilicoMetaServer_TS1-scwrl costs 331.310 real_cost = -171.808 GeneSilicoMetaServer_TS1 costs 337.250 real_cost = -171.319 Frankenstein_TS4-scwrl costs 322.653 real_cost = -166.883 Frankenstein_TS4 costs 331.191 real_cost = -168.269 FUNCTION_TS5-scwrl costs 341.474 real_cost = -167.239 FUNCTION_TS5 costs 347.426 real_cost = -168.433 FUNCTION_TS4-scwrl costs 338.640 real_cost = -132.731 FUNCTION_TS4 costs 347.967 real_cost = -126.624 FUNCTION_TS3-scwrl costs 352.788 real_cost = -139.665 FUNCTION_TS3 costs 356.449 real_cost = -147.763 FUNCTION_TS2-scwrl costs 335.697 real_cost = -128.035 FUNCTION_TS2 costs 342.369 real_cost = -121.105 FUNCTION_TS1-scwrl costs 351.470 real_cost = -139.456 FUNCTION_TS1 costs 361.553 real_cost = -147.694 FUGUE_AL5-scwrl costs 397.790 real_cost = 243.759 FUGUE_AL5 costs 16225.310 real_cost = 344.728 FUGUE_AL4-scwrl costs 440.623 real_cost = 56.576 FUGUE_AL4 costs 20248.168 real_cost = 143.758 FUGUE_AL3-scwrl costs 382.211 real_cost = -8.247 FUGUE_AL3 costs 11326.476 real_cost = 91.589 FUGUE_AL2-scwrl costs 391.873 real_cost = -143.148 FUGUE_AL2 costs 29444.938 real_cost = -62.153 FUGUE_AL1-scwrl costs 369.417 real_cost = -152.441 FUGUE_AL1 costs 29461.310 real_cost = -65.500 FUGMOD_TS5-scwrl costs 382.693 real_cost = 243.464 FUGMOD_TS5 costs 391.200 real_cost = 243.612 FUGMOD_TS4-scwrl costs 413.895 real_cost = 57.724 FUGMOD_TS4 costs 415.454 real_cost = 54.207 FUGMOD_TS3-scwrl costs 359.977 real_cost = 21.712 FUGMOD_TS3 costs 367.292 real_cost = 21.353 FUGMOD_TS2-scwrl costs 323.301 real_cost = -174.812 FUGMOD_TS2 costs 332.224 real_cost = -169.585 FUGMOD_TS1-scwrl costs 360.393 real_cost = -163.519 FUGMOD_TS1 costs 359.554 real_cost = -168.195 FPSOLVER-SERVER_TS5-scwrl costs 437.507 real_cost = 276.649 FPSOLVER-SERVER_TS5 costs 436.453 real_cost = 276.737 FPSOLVER-SERVER_TS4-scwrl costs 439.348 real_cost = 290.837 FPSOLVER-SERVER_TS4 costs 439.959 real_cost = 292.133 FPSOLVER-SERVER_TS3-scwrl costs 423.788 real_cost = 278.235 FPSOLVER-SERVER_TS3 costs 423.940 real_cost = 279.229 FPSOLVER-SERVER_TS2-scwrl costs 431.659 real_cost = 290.446 FPSOLVER-SERVER_TS2 costs 432.525 real_cost = 291.056 FPSOLVER-SERVER_TS1-scwrl costs 410.958 real_cost = 264.901 FPSOLVER-SERVER_TS1 costs 410.555 real_cost = 266.795 FORTE2_AL5-scwrl costs 444.877 real_cost = 96.950 FORTE2_AL5 costs 21353.804 real_cost = 180.401 FORTE2_AL4-scwrl costs 392.551 real_cost = -98.817 FORTE2_AL4 costs 45988.901 real_cost = -17.854 FORTE2_AL3-scwrl costs 1012.353 real_cost = 60.952 FORTE2_AL3 costs 53080.265 real_cost = 60.952 FORTE2_AL2-scwrl costs 341.697 real_cost = -145.804 FORTE2_AL2 costs 8592.384 real_cost = -50.078 FORTE2_AL1-scwrl costs 369.417 real_cost = -152.441 FORTE2_AL1 costs 29461.310 real_cost = -65.500 FORTE1_AL5-scwrl costs 1186.745 real_cost = 348.538 FORTE1_AL5 costs 34133.886 real_cost = 348.538 FORTE1_AL4-scwrl costs 403.324 real_cost = -52.542 FORTE1_AL4 costs 46067.606 real_cost = 28.743 FORTE1_AL3-scwrl costs 1019.689 real_cost = 84.653 FORTE1_AL3 costs 53088.988 real_cost = 84.653 FORTE1_AL2-scwrl costs 341.697 real_cost = -145.804 FORTE1_AL2 costs 8592.384 real_cost = -50.078 FORTE1_AL1-scwrl costs 369.417 real_cost = -152.441 FORTE1_AL1 costs 29461.310 real_cost = -65.500 FOLDpro_TS5-scwrl costs 395.088 real_cost = 112.793 FOLDpro_TS5 costs 405.153 real_cost = 115.167 FOLDpro_TS4-scwrl costs 336.555 real_cost = -136.637 FOLDpro_TS4 costs 346.783 real_cost = -139.638 FOLDpro_TS3-scwrl costs 391.954 real_cost = 105.047 FOLDpro_TS3 costs 403.818 real_cost = 115.821 FOLDpro_TS2-scwrl costs 315.554 real_cost = -172.929 FOLDpro_TS2 costs 327.036 real_cost = -180.064 FOLDpro_TS1-scwrl costs 310.214 real_cost = -188.498 FOLDpro_TS1 costs 319.236 real_cost = -187.799 FAMS_TS5-scwrl costs 330.648 real_cost = -163.823 FAMS_TS5 costs 339.174 real_cost = -159.852 FAMS_TS4-scwrl costs 335.697 real_cost = -128.035 FAMS_TS4 costs 342.369 real_cost = -121.105 FAMS_TS3-scwrl costs 354.183 real_cost = -125.243 FAMS_TS3 costs 361.380 real_cost = -118.873 FAMS_TS2-scwrl costs 336.337 real_cost = -135.359 FAMS_TS2 costs 346.908 real_cost = -122.449 FAMS_TS1-scwrl costs 341.810 real_cost = -159.647 FAMS_TS1 costs 348.035 real_cost = -167.083 FAMSD_TS5-scwrl costs 357.293 real_cost = -71.557 FAMSD_TS5 costs 360.500 real_cost = -57.087 FAMSD_TS4-scwrl costs 341.419 real_cost = -142.396 FAMSD_TS4 costs 346.585 real_cost = -152.712 FAMSD_TS3-scwrl costs 348.173 real_cost = -125.708 FAMSD_TS3 costs 355.815 real_cost = -126.345 FAMSD_TS2-scwrl costs 342.199 real_cost = -132.003 FAMSD_TS2 costs 352.658 real_cost = -127.578 FAMSD_TS1-scwrl costs 336.999 real_cost = -145.626 FAMSD_TS1 costs 343.895 real_cost = -151.188 Distill_TS5-scwrl costs 2253.794 real_cost = 243.436 Distill_TS4-scwrl costs 2256.695 real_cost = 242.241 Distill_TS3-scwrl costs 2260.882 real_cost = 246.399 Distill_TS2-scwrl costs 2260.865 real_cost = 251.036 Distill_TS1-scwrl costs 2251.909 real_cost = 236.866 CaspIta-FOX_TS5-scwrl costs 316.391 real_cost = -162.518 CaspIta-FOX_TS5 costs 316.278 real_cost = -166.676 CaspIta-FOX_TS4-scwrl costs 346.235 real_cost = -129.437 CaspIta-FOX_TS4 costs 350.921 real_cost = -143.894 CaspIta-FOX_TS3-scwrl costs 423.949 real_cost = -124.918 CaspIta-FOX_TS3 costs 426.345 real_cost = -121.880 CaspIta-FOX_TS2-scwrl costs 316.626 real_cost = -139.063 CaspIta-FOX_TS2 costs 319.381 real_cost = -138.410 CaspIta-FOX_TS1-scwrl costs 346.687 real_cost = -70.390 CaspIta-FOX_TS1 costs 352.217 real_cost = -71.819 CPHmodels_TS1-scwrl costs 373.510 real_cost = -116.565 CPHmodels_TS1 costs 364.476 real_cost = -123.727 CIRCLE_TS5-scwrl costs 354.183 real_cost = -125.243 CIRCLE_TS5 costs 361.380 real_cost = -118.873 CIRCLE_TS4-scwrl costs 336.337 real_cost = -135.359 CIRCLE_TS4 costs 346.908 real_cost = -122.449 CIRCLE_TS3-scwrl costs 342.199 real_cost = -132.003 CIRCLE_TS3 costs 352.658 real_cost = -127.578 CIRCLE_TS2-scwrl costs 330.648 real_cost = -163.823 CIRCLE_TS2 costs 339.174 real_cost = -159.852 CIRCLE_TS1-scwrl costs 334.278 real_cost = -160.475 CIRCLE_TS1 costs 341.800 real_cost = -163.544 Bilab-ENABLE_TS5-scwrl costs 335.829 real_cost = -136.880 Bilab-ENABLE_TS5 costs 335.747 real_cost = -136.884 Bilab-ENABLE_TS4-scwrl costs 316.543 real_cost = -132.628 Bilab-ENABLE_TS4 costs 316.543 real_cost = -132.628 Bilab-ENABLE_TS3-scwrl costs 319.805 real_cost = -144.542 Bilab-ENABLE_TS3 costs 320.026 real_cost = -144.901 Bilab-ENABLE_TS2-scwrl costs 319.966 real_cost = -153.681 Bilab-ENABLE_TS2 costs 319.479 real_cost = -153.036 Bilab-ENABLE_TS1-scwrl costs 321.708 real_cost = -178.639 Bilab-ENABLE_TS1 costs 321.708 real_cost = -178.639 BayesHH_TS1-scwrl costs 314.127 real_cost = -168.314 BayesHH_TS1 costs 324.961 real_cost = -172.894 ABIpro_TS5-scwrl costs 437.248 real_cost = 229.678 ABIpro_TS5 costs 437.248 real_cost = 229.678 ABIpro_TS4-scwrl costs 454.260 real_cost = 176.827 ABIpro_TS4 costs 454.577 real_cost = 176.840 ABIpro_TS3-scwrl costs 417.385 real_cost = 218.066 ABIpro_TS3 costs 417.385 real_cost = 218.066 ABIpro_TS2-scwrl costs 421.561 real_cost = 237.799 ABIpro_TS2 costs 418.105 real_cost = 237.803 ABIpro_TS1-scwrl costs 417.117 real_cost = 219.375 ABIpro_TS1 costs 415.200 real_cost = 219.664 3Dpro_TS5-scwrl costs 332.200 real_cost = -105.475 3Dpro_TS5 costs 341.841 real_cost = -96.154 3Dpro_TS4-scwrl costs 398.419 real_cost = 134.296 3Dpro_TS4 costs 410.669 real_cost = 136.472 3Dpro_TS3-scwrl costs 386.686 real_cost = 91.804 3Dpro_TS3 costs 398.748 real_cost = 89.887 3Dpro_TS2-scwrl costs 311.523 real_cost = -165.894 3Dpro_TS2 costs 326.687 real_cost = -167.026 3Dpro_TS1-scwrl costs 309.434 real_cost = -177.938 3Dpro_TS1 costs 315.152 real_cost = -171.290 3D-JIGSAW_TS5-scwrl costs 355.459 real_cost = -72.213 3D-JIGSAW_TS5 costs 368.570 real_cost = -72.100 3D-JIGSAW_TS4-scwrl costs 351.481 real_cost = -73.779 3D-JIGSAW_TS4 costs 364.324 real_cost = -72.932 3D-JIGSAW_TS3-scwrl costs 373.687 real_cost = -146.345 3D-JIGSAW_TS3 costs 372.524 real_cost = -148.421 3D-JIGSAW_TS2-scwrl costs 369.199 real_cost = -128.925 3D-JIGSAW_TS2 costs 375.792 real_cost = -125.469 3D-JIGSAW_TS1-scwrl costs 362.608 real_cost = -111.312 3D-JIGSAW_TS1 costs 357.428 real_cost = -128.251 3D-JIGSAW_RECOM_TS5-scwrl costs 363.351 real_cost = -127.967 3D-JIGSAW_RECOM_TS5 costs 363.055 real_cost = -136.947 3D-JIGSAW_RECOM_TS4-scwrl costs 390.063 real_cost = -127.426 3D-JIGSAW_RECOM_TS4 costs 385.396 real_cost = -138.810 3D-JIGSAW_RECOM_TS3-scwrl costs 383.586 real_cost = -125.197 3D-JIGSAW_RECOM_TS3 costs 369.509 real_cost = -129.094 3D-JIGSAW_RECOM_TS2-scwrl costs 389.459 real_cost = -122.260 3D-JIGSAW_RECOM_TS2 costs 379.121 real_cost = -134.271 3D-JIGSAW_RECOM_TS1-scwrl costs 433.713 real_cost = -126.613 3D-JIGSAW_RECOM_TS1 costs 426.258 real_cost = -129.020 3D-JIGSAW_POPULUS_TS5-scwrl costs 387.913 real_cost = -89.172 3D-JIGSAW_POPULUS_TS5 costs 371.328 real_cost = -98.313 3D-JIGSAW_POPULUS_TS4-scwrl costs 334.617 real_cost = -154.906 3D-JIGSAW_POPULUS_TS4 costs 334.146 real_cost = -154.955 3D-JIGSAW_POPULUS_TS3-scwrl costs 351.847 real_cost = -112.716 3D-JIGSAW_POPULUS_TS3 costs 350.429 real_cost = -112.701 3D-JIGSAW_POPULUS_TS2-scwrl costs 385.285 real_cost = -57.686 3D-JIGSAW_POPULUS_TS2 costs 369.947 real_cost = -67.893 3D-JIGSAW_POPULUS_TS1-scwrl costs 348.903 real_cost = -86.274 3D-JIGSAW_POPULUS_TS1 costs 349.186 real_cost = -86.275 T0302.try2-opt2.repack-nonPC.pdb.gz costs 295.942 real_cost = -150.310 T0302.try2-opt2.pdb.gz costs 290.893 real_cost = -151.421 T0302.try2-opt2.gromacs0.pdb.gz costs 297.326 real_cost = -155.242 T0302.try2-opt1.pdb.gz costs 292.781 real_cost = -157.697 T0302.try2-opt1-scwrl.pdb.gz costs 296.492 real_cost = -139.767 T0302.try1-opt2.repack-nonPC.pdb.gz costs 298.402 real_cost = -136.982 T0302.try1-opt2.pdb.gz costs 294.341 real_cost = -148.176 T0302.try1-opt2.gromacs0.pdb.gz costs 300.728 real_cost = -148.140 T0302.try1-opt1.pdb.gz costs 299.636 real_cost = -131.051 T0302.try1-opt1-scwrl.pdb.gz costs 300.997 real_cost = -128.880 ../model5.ts-submitted costs 449.829 real_cost = 128.142 ../model4.ts-submitted costs 355.610 real_cost = -153.960 ../model3.ts-submitted costs 337.449 real_cost = -138.183 ../model2.ts-submitted costs 294.390 real_cost = -148.381 ../model1.ts-submitted costs 290.896 real_cost = -151.417 align5 costs 496.378 real_cost = 9.963 align4 costs 489.030 real_cost = -39.209 align3 costs 466.814 real_cost = 126.765 align2 costs 421.108 real_cost = -159.268 align1 costs 348.440 real_cost = -138.525 T0302.try1-opt2.pdb costs 294.341 real_cost = -148.193 model5-scwrl costs 476.952 real_cost = 141.579 model5.ts-submitted costs 449.829 real_cost = 128.142 model4-scwrl costs 375.122 real_cost = -139.689 model4.ts-submitted costs 355.610 real_cost = -153.960 model3-scwrl costs 349.639 real_cost = -136.107 model3.ts-submitted costs 337.449 real_cost = -138.183 model2-scwrl costs 297.540 real_cost = -133.321 model2.ts-submitted costs 294.390 real_cost = -148.381 model1-scwrl costs 295.343 real_cost = -139.709 model1.ts-submitted costs 290.896 real_cost = -151.417 2h33A costs 422.515 real_cost = -895.000 # command:CPU_time= 379.103 sec, elapsed time= 1300.737 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/T0302'