make[1]: Entering directory `/projects/compbio/experiments/protein-predict/casp7/T0377' 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/T0377.} ;\ 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/T0377/ -e s/START_COL/1/ \ -e s/COSTFCN/predburial/ \ -e s/_domain// \ -e s/read-pdb/read-pdb+servers/ \ -e s/REAL_PDB/2ivyA/ \ < /projects/compbio/experiments/protein-predict/casp7/starter-directory/evaluate.under \ | nice -2 /cse/grads/jarchie/projects/cvs/karplus/undertaker/undertaker # command:# Seed set to 1174168887 # 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= 6.10807 sec, elapsed time= 12.8492 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= 6.18806 sec, elapsed time= 13.102 sec) # command:# Prefix for input files set to # command:# Making conformation for sequence T0377 numbered 1 through 101 Created new target T0377 from T0377.a2m # command:# command:# No conformations to remove in PopConform # command:# cleared Id set # command:# command:# WARNING: incomplete conformation T0377 can't currently be optimized by undertaker # command:# Saving current conformation as real # command:# Prefix for output files set to decoys/ # command:# SetRealCost created real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) # command:# SetCost created cost = # ) # command:# reading script from file predburial.costfcn # Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # reading histogram from smoothed-near-backbone-2spot.hist # created burial cost function nb11 with radius 9.65 with spots at near-backbone-center.spot counting only near-backbone-count.spot # Prefix for input files set to # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 5 alphabets from two-spot-burial.alphabet # Prefix for input files set to # created predicted BurialPredCostFcn pred_nb11_2k # created predicted BurialPredCostFcn pred_nb11_2k_simple # created predicted BurialPredCostFcn pred_nb11_04 # created predicted BurialPredCostFcn pred_nb11_04_simple # created predicted BurialPredCostFcn pred_nb11_06 # created predicted BurialPredCostFcn pred_nb11_06_simple # reading predictions from T0377.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 T0377.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 T0377.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= 8.82366 sec, elapsed time= 18.7825 sec) # command:# Prefix for input files set to # command:Error: can't open file model1.ts-submitted in ReadConformPDB # command:# fraction of real conformation used = 1 # GDT_score = -100 # GDT_score(maxd=8,maxw=2.9)= -100 # GDT_score(maxd=8,maxw=3.2)= -100 # GDT_score(maxd=8,maxw=3.5)= -100 # GDT_score(maxd=10,maxw=3.8)= -100 # GDT_score(maxd=10,maxw=4)= -100 # GDT_score(maxd=10,maxw=4.2)= -100 # GDT_score(maxd=12,maxw=4.3)= -100 # GDT_score(maxd=12,maxw=4.5)= -100 # GDT_score(maxd=12,maxw=4.7)= -100 # GDT_score(maxd=14,maxw=5.2)= -100 # GDT_score(maxd=14,maxw=5.5)= -100 # command:# Prefix for output files set to # command:EXPDTA 2ivyA MODEL 1 REMARK 44 REMARK 44 model 1 is called 2ivyA ATOM 1 N ALA 2 40.193 16.462 3.263 1.00 0.00 ATOM 2 CA ALA 2 40.904 16.509 1.947 1.00 0.00 ATOM 3 CB ALA 2 40.018 15.966 0.833 1.00 0.00 ATOM 4 O ALA 2 40.708 18.914 1.863 1.00 0.00 ATOM 5 C ALA 2 41.390 17.914 1.601 1.00 0.00 ATOM 6 N MET 3 42.561 17.990 0.984 1.00 0.00 ATOM 7 CA MET 3 43.114 19.275 0.671 1.00 0.00 ATOM 8 CB MET 3 44.634 19.191 0.547 1.00 0.00 ATOM 9 CG MET 3 45.366 18.980 1.850 1.00 0.00 ATOM 10 SD MET 3 47.110 19.345 1.605 1.00 0.00 ATOM 11 CE MET 3 47.722 19.181 3.278 1.00 0.00 ATOM 12 O MET 3 42.156 18.964 -1.506 1.00 0.00 ATOM 13 C MET 3 42.520 19.760 -0.644 1.00 0.00 ATOM 14 N LEU 4 42.411 21.074 -0.768 1.00 0.00 ATOM 15 CA LEU 4 42.072 21.709 -2.035 1.00 0.00 ATOM 16 CB LEU 4 41.478 23.106 -1.777 1.00 0.00 ATOM 17 CG LEU 4 41.017 23.979 -2.961 1.00 0.00 ATOM 18 CD1 LEU 4 39.839 23.358 -3.673 1.00 0.00 ATOM 19 CD2 LEU 4 40.626 25.390 -2.490 1.00 0.00 ATOM 20 O LEU 4 44.408 22.123 -2.430 1.00 0.00 ATOM 21 C LEU 4 43.319 21.799 -2.908 1.00 0.00 ATOM 22 N TYR 5 43.135 21.515 -4.192 1.00 0.00 ATOM 23 CA TYR 5 44.208 21.648 -5.164 1.00 0.00 ATOM 24 CB TYR 5 44.625 20.281 -5.743 1.00 0.00 ATOM 25 CG TYR 5 45.277 19.398 -4.699 1.00 0.00 ATOM 26 CD1 TYR 5 46.668 19.383 -4.540 1.00 0.00 ATOM 27 CD2 TYR 5 44.503 18.599 -3.853 1.00 0.00 ATOM 28 CE1 TYR 5 47.268 18.607 -3.564 1.00 0.00 ATOM 29 CE2 TYR 5 45.097 17.817 -2.875 1.00 0.00 ATOM 30 CZ TYR 5 46.478 17.819 -2.743 1.00 0.00 ATOM 31 OH TYR 5 47.082 17.057 -1.781 1.00 0.00 ATOM 32 O TYR 5 42.638 22.572 -6.714 1.00 0.00 ATOM 33 C TYR 5 43.798 22.553 -6.306 1.00 0.00 ATOM 34 N LEU 6 44.793 23.263 -6.831 1.00 0.00 ATOM 35 CA LEU 6 44.686 23.994 -8.085 1.00 0.00 ATOM 36 CB LEU 6 45.283 25.382 -7.882 1.00 0.00 ATOM 37 CG LEU 6 45.158 26.469 -8.917 1.00 0.00 ATOM 38 CD1 LEU 6 43.689 26.751 -9.207 1.00 0.00 ATOM 39 CD2 LEU 6 45.860 27.721 -8.371 1.00 0.00 ATOM 40 O LEU 6 46.591 22.749 -8.857 1.00 0.00 ATOM 41 C LEU 6 45.469 23.215 -9.130 1.00 0.00 ATOM 42 N ILE 7 44.875 23.059 -10.315 1.00 0.00 ATOM 43 CA ILE 7 45.525 22.358 -11.424 1.00 0.00 ATOM 44 CB ILE 7 44.820 21.019 -11.750 1.00 0.00 ATOM 45 CG1 ILE 7 44.779 20.119 -10.507 1.00 0.00 ATOM 46 CG2 ILE 7 45.509 20.329 -12.929 1.00 0.00 ATOM 47 CD1 ILE 7 44.204 18.710 -10.770 1.00 0.00 ATOM 48 O ILE 7 44.506 23.620 -13.155 1.00 0.00 ATOM 49 C ILE 7 45.557 23.255 -12.645 1.00 0.00 ATOM 50 N PHE 8 46.761 23.615 -13.083 1.00 0.00 ATOM 51 CA PHE 8 46.938 24.460 -14.257 1.00 0.00 ATOM 52 CB PHE 8 47.867 25.654 -13.933 1.00 0.00 ATOM 53 CG PHE 8 48.460 26.321 -15.167 1.00 0.00 ATOM 54 CD1 PHE 8 47.728 27.267 -15.878 1.00 0.00 ATOM 55 CD2 PHE 8 49.740 25.990 -15.619 1.00 0.00 ATOM 56 CE1 PHE 8 48.246 27.875 -17.004 1.00 0.00 ATOM 57 CE2 PHE 8 50.266 26.595 -16.752 1.00 0.00 ATOM 58 CZ PHE 8 49.513 27.541 -17.443 1.00 0.00 ATOM 59 O PHE 8 48.517 22.836 -14.964 1.00 0.00 ATOM 60 C PHE 8 47.630 23.617 -15.297 1.00 0.00 ATOM 61 N TYR 9 47.289 23.805 -16.565 1.00 0.00 ATOM 62 CA TYR 9 48.063 23.118 -17.584 1.00 0.00 ATOM 63 CB TYR 9 47.481 21.732 -17.886 1.00 0.00 ATOM 64 CG TYR 9 46.028 21.698 -18.283 1.00 0.00 ATOM 65 CD1 TYR 9 45.638 21.881 -19.601 1.00 0.00 ATOM 66 CD2 TYR 9 45.039 21.445 -17.335 1.00 0.00 ATOM 67 CE1 TYR 9 44.289 21.808 -19.975 1.00 0.00 ATOM 68 CE2 TYR 9 43.707 21.386 -17.695 1.00 0.00 ATOM 69 CZ TYR 9 43.325 21.573 -19.010 1.00 0.00 ATOM 70 OH TYR 9 41.999 21.491 -19.372 1.00 0.00 ATOM 71 O TYR 9 47.514 24.895 -19.095 1.00 0.00 ATOM 72 C TYR 9 48.268 23.947 -18.834 1.00 0.00 ATOM 73 N ASP 10 49.292 23.554 -19.594 1.00 0.00 ATOM 74 CA ASP 10 49.672 24.196 -20.839 1.00 0.00 ATOM 75 CB ASP 10 50.917 25.056 -20.592 1.00 0.00 ATOM 76 CG ASP 10 51.432 25.731 -21.846 1.00 0.00 ATOM 77 OD1 ASP 10 50.754 25.742 -22.908 1.00 0.00 ATOM 78 OD2 ASP 10 52.557 26.248 -21.768 1.00 0.00 ATOM 79 O ASP 10 51.050 22.438 -21.682 1.00 0.00 ATOM 80 C ASP 10 49.985 23.056 -21.781 1.00 0.00 ATOM 81 N ILE 11 49.035 22.749 -22.657 1.00 0.00 ATOM 82 CA ILE 11 49.124 21.577 -23.521 1.00 0.00 ATOM 83 CB ILE 11 48.153 20.455 -23.062 1.00 0.00 ATOM 84 CG1 ILE 11 48.519 20.009 -21.648 1.00 0.00 ATOM 85 CG2 ILE 11 48.180 19.269 -24.053 1.00 0.00 ATOM 86 CD1 ILE 11 47.515 19.084 -21.033 1.00 0.00 ATOM 87 O ILE 11 47.661 22.392 -25.193 1.00 0.00 ATOM 88 C ILE 11 48.801 22.022 -24.920 1.00 0.00 ATOM 89 N THR 12 49.793 22.013 -25.809 1.00 0.00 ATOM 90 CA THR 12 49.562 22.581 -27.132 1.00 0.00 ATOM 91 CB THR 12 50.878 22.996 -27.787 1.00 0.00 ATOM 92 CG2 THR 12 51.542 24.116 -26.987 1.00 0.00 ATOM 93 OG1 THR 12 51.752 21.878 -27.768 1.00 0.00 ATOM 94 O THR 12 48.094 22.103 -28.977 1.00 0.00 ATOM 95 C THR 12 48.779 21.643 -28.054 1.00 0.00 ATOM 96 N ASP 13 48.886 20.336 -27.829 1.00 0.00 ATOM 97 CA ASP 13 48.185 19.379 -28.686 1.00 0.00 ATOM 98 CB ASP 13 48.771 17.980 -28.535 1.00 0.00 ATOM 99 CG ASP 13 48.179 17.012 -29.532 1.00 0.00 ATOM 100 OD1 ASP 13 48.681 16.945 -30.668 1.00 0.00 ATOM 101 OD2 ASP 13 47.189 16.355 -29.195 1.00 0.00 ATOM 102 O ASP 13 46.368 19.036 -27.169 1.00 0.00 ATOM 103 C ASP 13 46.707 19.363 -28.307 1.00 0.00 ATOM 104 N ASP 14 45.832 19.702 -29.256 1.00 0.00 ATOM 105 CA ASP 14 44.388 19.788 -28.983 1.00 0.00 ATOM 106 CB ASP 14 43.616 20.191 -30.244 1.00 0.00 ATOM 107 CG ASP 14 43.870 21.631 -30.667 1.00 0.00 ATOM 108 OD1 ASP 14 44.418 22.433 -29.876 1.00 0.00 ATOM 109 OD2 ASP 14 43.482 21.964 -31.810 1.00 0.00 ATOM 110 O ASP 14 42.997 18.503 -27.534 1.00 0.00 ATOM 111 C ASP 14 43.809 18.484 -28.452 1.00 0.00 ATOM 112 N ASN 15 44.236 17.357 -29.020 1.00 0.00 ATOM 113 CA ASN 15 43.739 16.041 -28.604 1.00 0.00 ATOM 114 CB ASN 15 44.246 14.958 -29.570 1.00 0.00 ATOM 115 CG ASN 15 43.888 13.549 -29.121 1.00 0.00 ATOM 116 ND2 ASN 15 42.632 13.156 -29.312 1.00 0.00 ATOM 117 OD1 ASN 15 44.744 12.818 -28.613 1.00 0.00 ATOM 118 O ASN 15 43.234 15.311 -26.359 1.00 0.00 ATOM 119 C ASN 15 44.101 15.720 -27.152 1.00 0.00 ATOM 120 N LEU 16 45.366 15.942 -26.798 1.00 0.00 ATOM 121 CA LEU 16 45.821 15.649 -25.447 1.00 0.00 ATOM 122 CB LEU 16 47.344 15.721 -25.303 1.00 0.00 ATOM 123 CG LEU 16 48.143 14.709 -26.126 1.00 0.00 ATOM 124 CD1 LEU 16 49.627 14.863 -25.822 1.00 0.00 ATOM 125 CD2 LEU 16 47.668 13.272 -25.882 1.00 0.00 ATOM 126 O LEU 16 44.799 16.199 -23.386 1.00 0.00 ATOM 127 C LEU 16 45.174 16.602 -24.475 1.00 0.00 ATOM 128 N ARG 17 45.030 17.867 -24.873 1.00 0.00 ATOM 129 CA ARG 17 44.410 18.855 -23.975 1.00 0.00 ATOM 130 CB ARG 17 44.432 20.247 -24.614 1.00 0.00 ATOM 131 CG ARG 17 43.951 21.331 -23.647 1.00 0.00 ATOM 132 CD ARG 17 43.690 22.667 -24.296 1.00 0.00 ATOM 133 NE ARG 17 44.768 22.937 -25.214 1.00 0.00 ATOM 134 CZ ARG 17 44.641 22.970 -26.537 1.00 0.00 ATOM 135 NH1 ARG 17 43.451 22.852 -27.126 1.00 0.00 ATOM 136 NH2 ARG 17 45.722 23.154 -27.265 1.00 0.00 ATOM 137 O ARG 17 42.520 18.529 -22.537 1.00 0.00 ATOM 138 C ARG 17 42.970 18.468 -23.679 1.00 0.00 ATOM 139 N ASN 18 42.249 18.039 -24.716 1.00 0.00 ATOM 140 CA ASN 18 40.875 17.611 -24.521 1.00 0.00 ATOM 141 CB ASN 18 40.162 17.447 -25.874 1.00 0.00 ATOM 142 CG ASN 18 39.860 18.793 -26.540 1.00 0.00 ATOM 143 ND2 ASN 18 39.587 18.759 -27.830 1.00 0.00 ATOM 144 OD1 ASN 18 39.887 19.851 -25.893 1.00 0.00 ATOM 145 O ASN 18 39.861 16.264 -22.813 1.00 0.00 ATOM 146 C ASN 18 40.773 16.366 -23.643 1.00 0.00 ATOM 147 N ARG 19 41.730 15.450 -23.769 1.00 0.00 ATOM 148 CA ARG 19 41.750 14.280 -22.893 1.00 0.00 ATOM 149 CB ARG 19 42.844 13.283 -23.278 1.00 0.00 ATOM 150 CG ARG 19 42.429 12.176 -24.171 1.00 0.00 ATOM 151 CD ARG 19 43.659 11.387 -24.578 1.00 0.00 ATOM 152 NE ARG 19 44.014 10.298 -23.658 1.00 0.00 ATOM 153 CZ ARG 19 45.066 9.502 -23.842 1.00 0.00 ATOM 154 NH1 ARG 19 45.853 9.674 -24.905 1.00 0.00 ATOM 155 NH2 ARG 19 45.332 8.524 -22.987 1.00 0.00 ATOM 156 O ARG 19 41.314 14.105 -20.541 1.00 0.00 ATOM 157 C ARG 19 41.941 14.677 -21.441 1.00 0.00 ATOM 158 N VAL 20 42.827 15.646 -21.199 1.00 0.00 ATOM 159 CA VAL 20 43.040 16.128 -19.845 1.00 0.00 ATOM 160 CB VAL 20 44.256 17.077 -19.773 1.00 0.00 ATOM 161 CG1 VAL 20 44.315 17.817 -18.426 1.00 0.00 ATOM 162 CG2 VAL 20 45.535 16.301 -20.039 1.00 0.00 ATOM 163 O VAL 20 41.337 16.464 -18.192 1.00 0.00 ATOM 164 C VAL 20 41.768 16.790 -19.307 1.00 0.00 ATOM 165 N ALA 21 41.153 17.690 -20.092 1.00 0.00 ATOM 166 CA ALA 21 39.957 18.390 -19.616 1.00 0.00 ATOM 167 CB ALA 21 39.491 19.408 -20.639 1.00 0.00 ATOM 168 O ALA 21 38.168 17.467 -18.282 1.00 0.00 ATOM 169 C ALA 21 38.849 17.380 -19.307 1.00 0.00 ATOM 170 N GLU 22 38.672 16.404 -20.190 1.00 0.00 ATOM 171 CA GLU 22 37.634 15.397 -19.992 1.00 0.00 ATOM 172 CB GLU 22 37.533 14.481 -21.206 1.00 0.00 ATOM 173 CG GLU 22 36.897 15.142 -22.404 1.00 0.00 ATOM 174 CD GLU 22 37.019 14.309 -23.668 1.00 0.00 ATOM 175 OE1 GLU 22 37.748 13.284 -23.663 1.00 0.00 ATOM 176 OE2 GLU 22 36.398 14.693 -24.678 1.00 0.00 ATOM 177 O GLU 22 36.977 14.288 -17.966 1.00 0.00 ATOM 178 C GLU 22 37.897 14.568 -18.741 1.00 0.00 ATOM 179 N PHE 23 39.157 14.198 -18.530 1.00 0.00 ATOM 180 CA PHE 23 39.537 13.403 -17.376 1.00 0.00 ATOM 181 CB PHE 23 41.002 12.966 -17.503 1.00 0.00 ATOM 182 CG PHE 23 41.518 12.202 -16.314 1.00 0.00 ATOM 183 CD1 PHE 23 40.976 10.976 -15.981 1.00 0.00 ATOM 184 CD2 PHE 23 42.571 12.701 -15.570 1.00 0.00 ATOM 185 CE1 PHE 23 41.446 10.278 -14.885 1.00 0.00 ATOM 186 CE2 PHE 23 43.056 12.006 -14.487 1.00 0.00 ATOM 187 CZ PHE 23 42.505 10.802 -14.149 1.00 0.00 ATOM 188 O PHE 23 38.669 13.618 -15.152 1.00 0.00 ATOM 189 C PHE 23 39.275 14.159 -16.087 1.00 0.00 ATOM 190 N LEU 24 39.709 15.411 -16.029 1.00 0.00 ATOM 191 CA LEU 24 39.527 16.175 -14.805 1.00 0.00 ATOM 192 CB LEU 24 40.335 17.470 -14.864 1.00 0.00 ATOM 193 CG LEU 24 41.862 17.250 -14.920 1.00 0.00 ATOM 194 CD1 LEU 24 42.577 18.595 -15.016 1.00 0.00 ATOM 195 CD2 LEU 24 42.377 16.464 -13.713 1.00 0.00 ATOM 196 O LEU 24 37.630 16.407 -13.379 1.00 0.00 ATOM 197 C LEU 24 38.049 16.433 -14.528 1.00 0.00 ATOM 198 N LYS 25 37.254 16.678 -15.569 1.00 0.00 ATOM 199 CA LYS 25 35.813 16.797 -15.381 1.00 0.00 ATOM 200 CB LYS 25 35.141 17.144 -16.696 1.00 0.00 ATOM 201 CG LYS 25 33.628 17.248 -16.612 1.00 0.00 ATOM 202 CD LYS 25 33.022 17.602 -17.966 1.00 0.00 ATOM 203 CE LYS 25 31.500 17.528 -17.951 1.00 0.00 ATOM 204 NZ LYS 25 30.916 18.004 -19.236 1.00 0.00 ATOM 205 O LYS 25 34.426 15.546 -13.887 1.00 0.00 ATOM 206 C LYS 25 35.232 15.506 -14.807 1.00 0.00 ATOM 207 N LYS 26 35.639 14.365 -15.353 1.00 0.00 ATOM 208 CA LYS 26 35.114 13.074 -14.880 1.00 0.00 ATOM 209 CB LYS 26 35.636 11.939 -15.749 1.00 0.00 ATOM 210 CG LYS 26 34.909 11.798 -17.059 1.00 0.00 ATOM 211 CD LYS 26 35.579 10.776 -17.944 1.00 0.00 ATOM 212 CE LYS 26 35.134 10.952 -19.375 1.00 0.00 ATOM 213 NZ LYS 26 36.157 10.472 -20.339 1.00 0.00 ATOM 214 O LYS 26 34.692 12.167 -12.700 1.00 0.00 ATOM 215 C LYS 26 35.460 12.818 -13.418 1.00 0.00 ATOM 216 N LYS 27 36.611 13.342 -12.987 1.00 0.00 ATOM 217 CA LYS 27 37.058 13.243 -11.589 1.00 0.00 ATOM 218 CB LYS 27 38.561 13.529 -11.504 1.00 0.00 ATOM 219 CG LYS 27 39.412 12.486 -12.189 1.00 0.00 ATOM 220 CD LYS 27 39.443 11.217 -11.381 1.00 0.00 ATOM 221 CE LYS 27 38.925 10.050 -12.187 1.00 0.00 ATOM 222 NZ LYS 27 38.848 8.804 -11.369 1.00 0.00 ATOM 223 O LYS 27 36.465 14.119 -9.432 1.00 0.00 ATOM 224 C LYS 27 36.305 14.185 -10.660 1.00 0.00 ATOM 225 N GLY 28 35.480 15.045 -11.235 1.00 0.00 ATOM 226 CA GLY 28 34.627 15.919 -10.445 1.00 0.00 ATOM 227 O GLY 28 34.718 17.970 -9.258 1.00 0.00 ATOM 228 C GLY 28 35.263 17.243 -10.075 1.00 0.00 ATOM 229 N LEU 29 36.394 17.578 -10.691 1.00 0.00 ATOM 230 CA LEU 29 37.031 18.860 -10.408 1.00 0.00 ATOM 231 CB LEU 29 38.470 18.855 -10.895 1.00 0.00 ATOM 232 CG LEU 29 39.372 17.902 -10.111 1.00 0.00 ATOM 233 CD1 LEU 29 40.704 17.787 -10.769 1.00 0.00 ATOM 234 CD2 LEU 29 39.534 18.333 -8.679 1.00 0.00 ATOM 235 O LEU 29 35.595 19.786 -12.085 1.00 0.00 ATOM 236 C LEU 29 36.252 19.985 -11.063 1.00 0.00 ATOM 237 N ASP 30 36.301 21.159 -10.444 1.00 0.00 ATOM 238 CA ASP 30 35.618 22.348 -10.945 1.00 0.00 ATOM 239 CB ASP 30 35.281 23.266 -9.775 1.00 0.00 ATOM 240 CG ASP 30 34.354 22.601 -8.786 1.00 0.00 ATOM 241 OD1 ASP 30 33.261 22.203 -9.213 1.00 0.00 ATOM 242 OD2 ASP 30 34.728 22.454 -7.607 1.00 0.00 ATOM 243 O ASP 30 37.666 23.316 -11.666 1.00 0.00 ATOM 244 C ASP 30 36.513 23.058 -11.938 1.00 0.00 ATOM 245 N ARG 31 35.969 23.359 -13.101 1.00 0.00 ATOM 246 CA ARG 31 36.730 24.052 -14.123 1.00 0.00 ATOM 247 CB ARG 31 36.222 23.689 -15.505 1.00 0.00 ATOM 248 CG ARG 31 37.162 24.128 -16.620 1.00 0.00 ATOM 249 CD ARG 31 36.693 23.520 -17.924 1.00 0.00 ATOM 250 NE ARG 31 37.634 23.781 -19.006 1.00 0.00 ATOM 251 CZ ARG 31 37.445 23.359 -20.248 1.00 0.00 ATOM 252 NH1 ARG 31 36.344 22.672 -20.563 1.00 0.00 ATOM 253 NH2 ARG 31 38.341 23.634 -21.185 1.00 0.00 ATOM 254 O ARG 31 35.480 26.081 -13.819 1.00 0.00 ATOM 255 C ARG 31 36.603 25.545 -13.906 1.00 0.00 ATOM 256 N ILE 32 37.744 26.225 -13.817 1.00 0.00 ATOM 257 CA ILE 32 37.664 27.673 -13.593 1.00 0.00 ATOM 258 CB ILE 32 38.229 28.098 -12.241 1.00 0.00 ATOM 259 CG1 ILE 32 39.721 27.802 -12.181 1.00 0.00 ATOM 260 CG2 ILE 32 37.445 27.429 -11.095 1.00 0.00 ATOM 261 CD1 ILE 32 40.411 28.343 -10.909 1.00 0.00 ATOM 262 O ILE 32 38.010 29.718 -14.735 1.00 0.00 ATOM 263 C ILE 32 38.207 28.515 -14.723 1.00 0.00 ATOM 264 N GLN 33 38.822 27.865 -15.702 1.00 0.00 ATOM 265 CA GLN 33 39.264 28.544 -16.919 1.00 0.00 ATOM 266 CB GLN 33 40.566 29.316 -16.651 1.00 0.00 ATOM 267 CG GLN 33 40.967 30.302 -17.750 1.00 0.00 ATOM 268 CD GLN 33 42.046 29.785 -18.713 1.00 0.00 ATOM 269 OE1 GLN 33 42.745 28.805 -18.430 1.00 0.00 ATOM 270 NE2 GLN 33 42.190 30.465 -19.853 1.00 0.00 ATOM 271 O GLN 33 39.447 26.279 -17.648 1.00 0.00 ATOM 272 C GLN 33 39.475 27.465 -17.967 1.00 0.00 ATOM 273 N TYR 34 39.717 27.859 -19.215 1.00 0.00 ATOM 274 CA TYR 34 39.978 26.897 -20.269 1.00 0.00 ATOM 275 CB TYR 34 40.463 27.618 -21.527 1.00 0.00 ATOM 276 CG TYR 34 40.586 26.731 -22.739 1.00 0.00 ATOM 277 CD1 TYR 34 39.463 26.118 -23.297 1.00 0.00 ATOM 278 CD2 TYR 34 41.815 26.539 -23.359 1.00 0.00 ATOM 279 CE1 TYR 34 39.574 25.302 -24.428 1.00 0.00 ATOM 280 CE2 TYR 34 41.938 25.735 -24.480 1.00 0.00 ATOM 281 CZ TYR 34 40.811 25.110 -25.008 1.00 0.00 ATOM 282 OH TYR 34 40.908 24.308 -26.127 1.00 0.00 ATOM 283 O TYR 34 40.776 24.649 -20.186 1.00 0.00 ATOM 284 C TYR 34 40.975 25.814 -19.856 1.00 0.00 ATOM 285 N SER 35 42.035 26.196 -19.137 1.00 0.00 ATOM 286 CA SER 35 43.070 25.234 -18.746 1.00 0.00 ATOM 287 CB SER 35 44.352 25.505 -19.511 1.00 0.00 ATOM 288 OG SER 35 44.771 26.807 -19.193 1.00 0.00 ATOM 289 O SER 35 44.532 25.037 -16.856 1.00 0.00 ATOM 290 C SER 35 43.386 25.254 -17.250 1.00 0.00 ATOM 291 N VAL 36 42.368 25.515 -16.422 1.00 0.00 ATOM 292 CA VAL 36 42.552 25.513 -14.971 1.00 0.00 ATOM 293 CB VAL 36 42.722 26.947 -14.394 1.00 0.00 ATOM 294 CG1 VAL 36 43.091 26.891 -12.926 1.00 0.00 ATOM 295 CG2 VAL 36 43.803 27.725 -15.145 1.00 0.00 ATOM 296 O VAL 36 40.213 25.177 -14.601 1.00 0.00 ATOM 297 C VAL 36 41.367 24.853 -14.292 1.00 0.00 ATOM 298 N PHE 37 41.671 23.956 -13.351 1.00 0.00 ATOM 299 CA PHE 37 40.674 23.254 -12.549 1.00 0.00 ATOM 300 CB PHE 37 40.610 21.756 -12.881 1.00 0.00 ATOM 301 CG PHE 37 39.937 21.430 -14.179 1.00 0.00 ATOM 302 CD1 PHE 37 38.670 20.862 -14.188 1.00 0.00 ATOM 303 CD2 PHE 37 40.597 21.635 -15.384 1.00 0.00 ATOM 304 CE1 PHE 37 38.048 20.496 -15.395 1.00 0.00 ATOM 305 CE2 PHE 37 39.986 21.289 -16.594 1.00 0.00 ATOM 306 CZ PHE 37 38.711 20.728 -16.598 1.00 0.00 ATOM 307 O PHE 37 42.169 23.720 -10.746 1.00 0.00 ATOM 308 C PHE 37 41.029 23.392 -11.089 1.00 0.00 ATOM 309 N MET 38 40.053 23.123 -10.226 1.00 0.00 ATOM 310 CA MET 38 40.331 23.090 -8.801 1.00 0.00 ATOM 311 CB MET 38 40.126 24.468 -8.190 1.00 0.00 ATOM 312 CG MET 38 38.689 24.876 -8.084 1.00 0.00 ATOM 313 SD MET 38 38.539 26.551 -7.490 1.00 0.00 ATOM 314 CE MET 38 39.319 26.413 -5.906 1.00 0.00 ATOM 315 O MET 38 38.294 21.852 -8.642 1.00 0.00 ATOM 316 C MET 38 39.394 22.108 -8.146 1.00 0.00 ATOM 317 N GLY 39 39.831 21.562 -7.025 1.00 0.00 ATOM 318 CA GLY 39 38.915 20.749 -6.230 1.00 0.00 ATOM 319 O GLY 39 40.849 20.032 -5.027 1.00 0.00 ATOM 320 C GLY 39 39.622 20.026 -5.123 1.00 0.00 ATOM 321 N ASP 40 38.833 19.400 -4.272 1.00 0.00 ATOM 322 CA ASP 40 39.367 18.666 -3.132 1.00 0.00 ATOM 323 CB ASP 40 38.303 18.528 -2.043 1.00 0.00 ATOM 324 CG ASP 40 37.927 19.849 -1.418 1.00 0.00 ATOM 325 OD1 ASP 40 38.780 20.765 -1.314 1.00 0.00 ATOM 326 OD2 ASP 40 36.754 19.970 -1.007 1.00 0.00 ATOM 327 O ASP 40 39.053 16.621 -4.354 1.00 0.00 ATOM 328 C ASP 40 39.784 17.278 -3.599 1.00 0.00 ATOM 329 N LEU 41 40.938 16.820 -3.119 1.00 0.00 ATOM 330 CA LEU 41 41.419 15.472 -3.410 1.00 0.00 ATOM 331 CB LEU 41 42.446 15.483 -4.547 1.00 0.00 ATOM 332 CG LEU 41 41.942 15.976 -5.909 1.00 0.00 ATOM 333 CD1 LEU 41 43.123 16.281 -6.829 1.00 0.00 ATOM 334 CD2 LEU 41 40.994 14.981 -6.584 1.00 0.00 ATOM 335 O LEU 41 42.980 15.572 -1.600 1.00 0.00 ATOM 336 C LEU 41 42.083 14.933 -2.165 1.00 0.00 ATOM 337 N ASN 42 41.645 13.760 -1.727 1.00 0.00 ATOM 338 CA ASN 42 42.380 13.025 -0.727 1.00 0.00 ATOM 339 CB ASN 42 41.440 12.094 0.048 1.00 0.00 ATOM 340 CG ASN 42 41.026 10.882 -0.760 1.00 0.00 ATOM 341 ND2 ASN 42 40.662 9.817 -0.088 1.00 0.00 ATOM 342 OD1 ASN 42 41.034 10.913 -1.983 1.00 0.00 ATOM 343 O ASN 42 43.817 12.381 -2.543 1.00 0.00 ATOM 344 C ASN 42 43.536 12.242 -1.359 1.00 0.00 ATOM 345 N SER 43 44.211 11.416 -0.569 1.00 0.00 ATOM 346 CA SER 43 45.380 10.707 -1.074 1.00 0.00 ATOM 347 CB SER 43 46.028 9.904 0.059 1.00 0.00 ATOM 348 OG SER 43 45.097 9.003 0.641 1.00 0.00 ATOM 349 O SER 43 45.714 9.817 -3.264 1.00 0.00 ATOM 350 C SER 43 45.036 9.786 -2.240 1.00 0.00 ATOM 351 N SER 44 43.962 9.014 -2.105 1.00 0.00 ATOM 352 CA SER 44 43.571 8.036 -3.120 1.00 0.00 ATOM 353 CB SER 44 42.371 7.201 -2.622 1.00 0.00 ATOM 354 OG SER 44 42.697 6.480 -1.445 1.00 0.00 ATOM 355 O SER 44 43.622 8.352 -5.527 1.00 0.00 ATOM 356 C SER 44 43.199 8.744 -4.416 1.00 0.00 ATOM 357 N ARG 45 42.416 9.810 -4.290 1.00 0.00 ATOM 358 CA ARG 45 41.945 10.496 -5.482 1.00 0.00 ATOM 359 CB ARG 45 40.737 11.366 -5.171 1.00 0.00 ATOM 360 CG ARG 45 39.548 10.506 -4.752 1.00 0.00 ATOM 361 CD ARG 45 38.274 11.288 -4.578 1.00 0.00 ATOM 362 NE ARG 45 37.865 12.041 -5.759 1.00 0.00 ATOM 363 CZ ARG 45 37.641 13.355 -5.764 1.00 0.00 ATOM 364 NH1 ARG 45 37.785 14.070 -4.652 1.00 0.00 ATOM 365 NH2 ARG 45 37.277 13.970 -6.879 1.00 0.00 ATOM 366 O ARG 45 43.161 11.330 -7.353 1.00 0.00 ATOM 367 C ARG 45 43.063 11.295 -6.134 1.00 0.00 ATOM 368 N LEU 46 43.941 11.899 -5.336 1.00 0.00 ATOM 369 CA LEU 46 45.113 12.579 -5.911 1.00 0.00 ATOM 370 CB LEU 46 45.910 13.302 -4.817 1.00 0.00 ATOM 371 CG LEU 46 47.173 14.048 -5.267 1.00 0.00 ATOM 372 CD1 LEU 46 46.836 15.164 -6.269 1.00 0.00 ATOM 373 CD2 LEU 46 47.937 14.588 -4.049 1.00 0.00 ATOM 374 O LEU 46 46.441 11.926 -7.825 1.00 0.00 ATOM 375 C LEU 46 45.996 11.611 -6.709 1.00 0.00 ATOM 376 N LYS 47 46.221 10.419 -6.153 1.00 0.00 ATOM 377 CA LYS 47 47.027 9.422 -6.834 1.00 0.00 ATOM 378 CB LYS 47 47.184 8.189 -5.944 1.00 0.00 ATOM 379 CG LYS 47 48.250 8.320 -4.887 1.00 0.00 ATOM 380 CD LYS 47 48.574 6.967 -4.283 1.00 0.00 ATOM 381 CE LYS 47 49.121 7.110 -2.882 1.00 0.00 ATOM 382 NZ LYS 47 48.002 7.164 -1.900 1.00 0.00 ATOM 383 O LYS 47 47.113 8.853 -9.160 1.00 0.00 ATOM 384 C LYS 47 46.404 9.028 -8.166 1.00 0.00 ATOM 385 N ASP 48 45.082 8.864 -8.186 1.00 0.00 ATOM 386 CA ASP 48 44.397 8.498 -9.413 1.00 0.00 ATOM 387 CB ASP 48 42.925 8.155 -9.148 1.00 0.00 ATOM 388 CG ASP 48 42.143 7.934 -10.451 1.00 0.00 ATOM 389 OD1 ASP 48 42.098 6.793 -10.923 1.00 0.00 ATOM 390 OD2 ASP 48 41.640 8.928 -11.027 1.00 0.00 ATOM 391 O ASP 48 44.745 9.348 -11.635 1.00 0.00 ATOM 392 C ASP 48 44.513 9.612 -10.459 1.00 0.00 ATOM 393 N VAL 49 44.350 10.859 -10.030 1.00 0.00 ATOM 394 CA VAL 49 44.471 11.992 -10.931 1.00 0.00 ATOM 395 CB VAL 49 44.106 13.314 -10.199 1.00 0.00 ATOM 396 CG1 VAL 49 44.538 14.529 -11.012 1.00 0.00 ATOM 397 CG2 VAL 49 42.600 13.385 -9.909 1.00 0.00 ATOM 398 O VAL 49 46.046 12.161 -12.718 1.00 0.00 ATOM 399 C VAL 49 45.880 12.044 -11.509 1.00 0.00 ATOM 400 N GLU 50 46.887 11.935 -10.647 1.00 0.00 ATOM 401 CA GLU 50 48.265 12.005 -11.088 1.00 0.00 ATOM 402 CB GLU 50 49.205 11.965 -9.887 1.00 0.00 ATOM 403 CG GLU 50 50.660 12.171 -10.228 1.00 0.00 ATOM 404 CD GLU 50 51.540 12.126 -9.003 1.00 0.00 ATOM 405 OE1 GLU 50 50.998 11.992 -7.877 1.00 0.00 ATOM 406 OE2 GLU 50 52.775 12.220 -9.169 1.00 0.00 ATOM 407 O GLU 50 49.171 11.112 -13.134 1.00 0.00 ATOM 408 C GLU 50 48.572 10.875 -12.070 1.00 0.00 ATOM 409 N ALA 51 48.150 9.654 -11.739 1.00 0.00 ATOM 410 CA ALA 51 48.420 8.523 -12.633 1.00 0.00 ATOM 411 CB ALA 51 47.965 7.224 -12.013 1.00 0.00 ATOM 412 O ALA 51 48.383 8.374 -15.023 1.00 0.00 ATOM 413 C ALA 51 47.770 8.701 -14.001 1.00 0.00 ATOM 414 N GLY 52 46.533 9.191 -14.018 1.00 0.00 ATOM 415 CA GLY 52 45.811 9.390 -15.277 1.00 0.00 ATOM 416 O GLY 52 46.601 10.301 -17.354 1.00 0.00 ATOM 417 C GLY 52 46.469 10.454 -16.136 1.00 0.00 ATOM 418 N LEU 53 46.873 11.551 -15.504 1.00 0.00 ATOM 419 CA LEU 53 47.516 12.629 -16.251 1.00 0.00 ATOM 420 CB LEU 53 47.681 13.863 -15.367 1.00 0.00 ATOM 421 CG LEU 53 46.363 14.513 -14.929 1.00 0.00 ATOM 422 CD1 LEU 53 46.630 15.612 -13.916 1.00 0.00 ATOM 423 CD2 LEU 53 45.565 15.046 -16.127 1.00 0.00 ATOM 424 O LEU 53 49.216 12.516 -17.941 1.00 0.00 ATOM 425 C LEU 53 48.859 12.170 -16.809 1.00 0.00 ATOM 426 N LYS 54 49.610 11.394 -16.031 1.00 0.00 ATOM 427 CA LYS 54 50.878 10.872 -16.538 1.00 0.00 ATOM 428 CB LYS 54 51.653 10.131 -15.461 1.00 0.00 ATOM 429 CG LYS 54 52.263 11.047 -14.435 1.00 0.00 ATOM 430 CD LYS 54 52.963 10.230 -13.365 1.00 0.00 ATOM 431 CE LYS 54 53.183 11.058 -12.127 1.00 0.00 ATOM 432 NZ LYS 54 53.856 12.342 -12.415 1.00 0.00 ATOM 433 O LYS 54 51.458 10.017 -18.698 1.00 0.00 ATOM 434 C LYS 54 50.667 9.968 -17.748 1.00 0.00 ATOM 435 N ILE 55 49.607 9.159 -17.739 1.00 0.00 ATOM 436 CA ILE 55 49.306 8.293 -18.888 1.00 0.00 ATOM 437 CB ILE 55 48.110 7.373 -18.600 1.00 0.00 ATOM 438 CG1 ILE 55 48.551 6.298 -17.610 1.00 0.00 ATOM 439 CG2 ILE 55 47.513 6.783 -19.914 1.00 0.00 ATOM 440 CD1 ILE 55 47.408 5.603 -16.928 1.00 0.00 ATOM 441 O ILE 55 49.521 8.831 -21.208 1.00 0.00 ATOM 442 C ILE 55 49.024 9.126 -20.125 1.00 0.00 ATOM 443 N ILE 56 48.244 10.184 -19.964 1.00 0.00 ATOM 444 CA ILE 56 47.957 11.059 -21.100 1.00 0.00 ATOM 445 CB ILE 56 46.906 12.134 -20.732 1.00 0.00 ATOM 446 CG1 ILE 56 45.584 11.457 -20.342 1.00 0.00 ATOM 447 CG2 ILE 56 46.690 13.131 -21.879 1.00 0.00 ATOM 448 CD1 ILE 56 44.609 12.366 -19.606 1.00 0.00 ATOM 449 O ILE 56 49.382 11.789 -22.885 1.00 0.00 ATOM 450 C ILE 56 49.242 11.661 -21.668 1.00 0.00 ATOM 451 N GLY 57 50.187 12.005 -20.794 1.00 0.00 ATOM 452 CA GLY 57 51.474 12.532 -21.240 1.00 0.00 ATOM 453 O GLY 57 53.703 11.860 -21.784 1.00 0.00 ATOM 454 C GLY 57 52.537 11.496 -21.571 1.00 0.00 ATOM 455 N ASN 58 52.160 10.218 -21.638 1.00 0.00 ATOM 456 CA ASN 58 53.171 9.158 -21.817 1.00 0.00 ATOM 457 CB ASN 58 52.760 7.844 -21.124 1.00 0.00 ATOM 458 CG ASN 58 53.864 6.788 -21.132 1.00 0.00 ATOM 459 ND2 ASN 58 53.465 5.532 -20.978 1.00 0.00 ATOM 460 OD1 ASN 58 55.052 7.091 -21.278 1.00 0.00 ATOM 461 O ASN 58 53.144 7.958 -23.916 1.00 0.00 ATOM 462 C ASN 58 53.487 8.969 -23.291 1.00 0.00 ATOM 463 N ARG 59 54.136 9.986 -23.836 1.00 0.00 ATOM 464 CA ARG 59 54.590 9.970 -25.212 1.00 0.00 ATOM 465 CB ARG 59 53.453 10.319 -26.178 1.00 0.00 ATOM 466 CG ARG 59 52.858 11.710 -26.016 1.00 0.00 ATOM 467 CD ARG 59 51.806 11.962 -27.091 1.00 0.00 ATOM 468 NE ARG 59 50.647 11.086 -26.933 1.00 0.00 ATOM 469 CZ ARG 59 49.734 10.850 -27.875 1.00 0.00 ATOM 470 NH1 ARG 59 49.832 11.422 -29.071 1.00 0.00 ATOM 471 NH2 ARG 59 48.721 10.035 -27.621 1.00 0.00 ATOM 472 O ARG 59 56.133 11.630 -24.425 1.00 0.00 ATOM 473 C ARG 59 55.759 10.923 -25.369 1.00 0.00 ATOM 474 N LYS 60 56.338 10.931 -26.562 1.00 0.00 ATOM 475 CA LYS 60 57.451 11.815 -26.834 1.00 0.00 ATOM 476 CB LYS 60 58.612 11.067 -27.505 1.00 0.00 ATOM 477 CG LYS 60 58.252 10.272 -28.756 1.00 0.00 ATOM 478 CD LYS 60 59.502 9.682 -29.398 1.00 0.00 ATOM 479 CE LYS 60 59.184 8.971 -30.709 1.00 0.00 ATOM 480 NZ LYS 60 60.391 8.336 -31.310 1.00 0.00 ATOM 481 O LYS 60 56.214 12.849 -28.619 1.00 0.00 ATOM 482 C LYS 60 56.996 12.998 -27.671 1.00 0.00 ATOM 483 N LYS 61 57.484 14.170 -27.284 1.00 0.00 ATOM 484 CA LYS 61 57.299 15.404 -28.017 1.00 0.00 ATOM 485 CB LYS 61 58.067 16.492 -27.287 1.00 0.00 ATOM 486 CG LYS 61 57.900 17.863 -27.872 1.00 0.00 ATOM 487 CD LYS 61 58.763 18.872 -27.143 1.00 0.00 ATOM 488 CE LYS 61 58.338 19.026 -25.692 1.00 0.00 ATOM 489 NZ LYS 61 58.703 20.356 -25.180 1.00 0.00 ATOM 490 O LYS 61 58.953 14.685 -29.602 1.00 0.00 ATOM 491 C LYS 61 57.867 15.247 -29.433 1.00 0.00 ATOM 492 N LEU 62 57.139 15.738 -30.436 1.00 0.00 ATOM 493 CA LEU 62 57.546 15.605 -31.845 1.00 0.00 ATOM 494 CB LEU 62 56.426 14.944 -32.659 1.00 0.00 ATOM 495 CG LEU 62 56.131 13.451 -32.453 1.00 0.00 ATOM 496 CD1 LEU 62 54.800 13.081 -33.089 1.00 0.00 ATOM 497 CD2 LEU 62 57.244 12.573 -33.016 1.00 0.00 ATOM 498 O LEU 62 58.672 16.844 -33.588 1.00 0.00 ATOM 499 C LEU 62 58.004 16.900 -32.547 1.00 0.00 ATOM 500 N GLN 63 57.657 18.049 -31.976 1.00 0.00 ATOM 501 CA GLN 63 58.093 19.331 -32.523 1.00 0.00 ATOM 502 CB GLN 63 57.006 19.928 -33.420 1.00 0.00 ATOM 503 NE2 GLN 63 58.434 22.909 -35.128 1.00 0.00 ATOM 504 O GLN 63 57.777 20.415 -30.406 1.00 0.00 ATOM 505 C GLN 63 58.466 20.319 -31.422 1.00 0.00 ATOM 506 N GLU 64 59.557 21.051 -31.627 1.00 0.00 ATOM 507 CA GLU 64 60.201 21.792 -30.521 1.00 0.00 ATOM 508 CB GLU 64 61.466 22.547 -30.984 1.00 0.00 ATOM 509 CG GLU 64 61.265 23.642 -32.083 1.00 0.00 ATOM 510 CD GLU 64 61.480 23.124 -33.488 1.00 0.00 ATOM 511 OE1 GLU 64 61.974 23.899 -34.344 1.00 0.00 ATOM 512 OE2 GLU 64 61.154 21.938 -33.732 1.00 0.00 ATOM 513 O GLU 64 59.455 22.910 -28.560 1.00 0.00 ATOM 514 C GLU 64 59.274 22.722 -29.753 1.00 0.00 ATOM 515 N ASP 65 58.266 23.267 -30.428 1.00 0.00 ATOM 516 CA ASP 65 57.353 24.218 -29.782 1.00 0.00 ATOM 517 CB ASP 65 56.872 25.270 -30.780 1.00 0.00 ATOM 518 CG ASP 65 58.007 26.013 -31.447 1.00 0.00 ATOM 519 OD1 ASP 65 58.979 26.397 -30.761 1.00 0.00 ATOM 520 OD2 ASP 65 57.918 26.205 -32.675 1.00 0.00 ATOM 521 O ASP 65 55.271 24.291 -28.625 1.00 0.00 ATOM 522 C ASP 65 56.133 23.582 -29.138 1.00 0.00 ATOM 523 N GLU 66 56.053 22.260 -29.173 1.00 0.00 ATOM 524 CA GLU 66 54.963 21.520 -28.511 1.00 0.00 ATOM 525 CB GLU 66 54.967 20.091 -29.038 1.00 0.00 ATOM 526 CG GLU 66 53.799 19.192 -28.729 1.00 0.00 ATOM 527 CD GLU 66 54.034 17.779 -29.273 1.00 0.00 ATOM 528 OE1 GLU 66 54.813 17.613 -30.234 1.00 0.00 ATOM 529 OE2 GLU 66 53.433 16.829 -28.731 1.00 0.00 ATOM 530 O GLU 66 56.392 21.349 -26.593 1.00 0.00 ATOM 531 C GLU 66 55.244 21.520 -27.019 1.00 0.00 ATOM 532 N ARG 67 54.206 21.725 -26.218 1.00 0.00 ATOM 533 CA ARG 67 54.381 21.687 -24.774 1.00 0.00 ATOM 534 CB ARG 67 54.297 23.079 -24.160 1.00 0.00 ATOM 535 CG ARG 67 55.379 24.035 -24.672 1.00 0.00 ATOM 536 CD ARG 67 55.316 25.388 -23.936 1.00 0.00 ATOM 537 NE ARG 67 53.990 26.006 -24.051 1.00 0.00 ATOM 538 CZ ARG 67 53.544 26.674 -25.113 1.00 0.00 ATOM 539 NH1 ARG 67 54.317 26.867 -26.179 1.00 0.00 ATOM 540 NH2 ARG 67 52.311 27.151 -25.115 1.00 0.00 ATOM 541 O ARG 67 52.192 20.761 -24.639 1.00 0.00 ATOM 542 C ARG 67 53.327 20.813 -24.157 1.00 0.00 ATOM 543 N PHE 68 53.720 20.114 -23.102 1.00 0.00 ATOM 544 CA PHE 68 52.764 19.384 -22.277 1.00 0.00 ATOM 545 CB PHE 68 52.733 17.888 -22.640 1.00 0.00 ATOM 546 CG PHE 68 51.687 17.093 -21.896 1.00 0.00 ATOM 547 CD1 PHE 68 50.486 16.759 -22.517 1.00 0.00 ATOM 548 CD2 PHE 68 51.893 16.673 -20.576 1.00 0.00 ATOM 549 CE1 PHE 68 49.512 16.021 -21.855 1.00 0.00 ATOM 550 CE2 PHE 68 50.921 15.936 -19.907 1.00 0.00 ATOM 551 CZ PHE 68 49.723 15.611 -20.554 1.00 0.00 ATOM 552 O PHE 68 54.241 19.041 -20.425 1.00 0.00 ATOM 553 C PHE 68 53.217 19.590 -20.842 1.00 0.00 ATOM 554 N PHE 69 52.457 20.382 -20.090 1.00 0.00 ATOM 555 CA PHE 69 52.852 20.748 -18.730 1.00 0.00 ATOM 556 CB PHE 69 53.545 22.106 -18.746 1.00 0.00 ATOM 557 CG PHE 69 53.828 22.667 -17.371 1.00 0.00 ATOM 558 CD1 PHE 69 54.929 22.229 -16.655 1.00 0.00 ATOM 559 CD2 PHE 69 52.979 23.612 -16.798 1.00 0.00 ATOM 560 CE1 PHE 69 55.211 22.743 -15.374 1.00 0.00 ATOM 561 CE2 PHE 69 53.264 24.130 -15.493 1.00 0.00 ATOM 562 CZ PHE 69 54.381 23.686 -14.811 1.00 0.00 ATOM 563 O PHE 69 50.638 21.494 -18.247 1.00 0.00 ATOM 564 C PHE 69 51.613 20.833 -17.872 1.00 0.00 ATOM 565 N ILE 70 51.644 20.134 -16.742 1.00 0.00 ATOM 566 CA ILE 70 50.561 20.215 -15.763 1.00 0.00 ATOM 567 CB ILE 70 49.733 18.914 -15.690 1.00 0.00 ATOM 568 CG1 ILE 70 49.281 18.505 -17.091 1.00 0.00 ATOM 569 CG2 ILE 70 48.561 19.083 -14.710 1.00 0.00 ATOM 570 CD1 ILE 70 48.660 17.128 -17.167 1.00 0.00 ATOM 571 O ILE 70 52.163 19.810 -14.023 1.00 0.00 ATOM 572 C ILE 70 51.185 20.478 -14.402 1.00 0.00 ATOM 573 N LEU 71 50.645 21.455 -13.680 1.00 0.00 ATOM 574 CA LEU 71 51.118 21.782 -12.332 1.00 0.00 ATOM 575 CB LEU 71 51.595 23.231 -12.319 1.00 0.00 ATOM 576 CG LEU 71 52.005 23.834 -10.988 1.00 0.00 ATOM 577 CD1 LEU 71 53.131 23.071 -10.358 1.00 0.00 ATOM 578 CD2 LEU 71 52.413 25.291 -11.218 1.00 0.00 ATOM 579 O LEU 71 48.877 22.214 -11.567 1.00 0.00 ATOM 580 C LEU 71 49.938 21.605 -11.373 1.00 0.00 ATOM 581 N ILE 72 50.120 20.755 -10.363 1.00 0.00 ATOM 582 CA ILE 72 49.114 20.533 -9.322 1.00 0.00 ATOM 583 CB ILE 72 48.845 19.029 -9.132 1.00 0.00 ATOM 584 CG1 ILE 72 48.397 18.400 -10.466 1.00 0.00 ATOM 585 CG2 ILE 72 47.795 18.781 -8.043 1.00 0.00 ATOM 586 CD1 ILE 72 48.349 16.876 -10.415 1.00 0.00 ATOM 587 O ILE 72 50.773 20.676 -7.601 1.00 0.00 ATOM 588 C ILE 72 49.686 21.087 -8.011 1.00 0.00 ATOM 589 N VAL 73 48.985 22.024 -7.375 1.00 0.00 ATOM 590 CA VAL 73 49.485 22.648 -6.135 1.00 0.00 ATOM 591 CB VAL 73 50.087 24.060 -6.396 1.00 0.00 ATOM 592 CG1 VAL 73 49.080 25.019 -6.964 1.00 0.00 ATOM 593 CG2 VAL 73 50.741 24.641 -5.150 1.00 0.00 ATOM 594 O VAL 73 47.276 23.104 -5.380 1.00 0.00 ATOM 595 C VAL 73 48.390 22.715 -5.082 1.00 0.00 ATOM 596 N PRO 74 48.702 22.303 -3.845 1.00 0.00 ATOM 597 CA PRO 74 47.707 22.457 -2.792 1.00 0.00 ATOM 598 CB PRO 74 48.304 21.679 -1.617 1.00 0.00 ATOM 599 CG PRO 74 49.756 21.626 -1.883 1.00 0.00 ATOM 600 CD PRO 74 49.962 21.707 -3.371 1.00 0.00 ATOM 601 O PRO 74 48.508 24.662 -2.351 1.00 0.00 ATOM 602 C PRO 74 47.529 23.919 -2.429 1.00 0.00 ATOM 603 N ILE 75 46.281 24.323 -2.225 1.00 0.00 ATOM 604 CA ILE 75 45.980 25.681 -1.777 1.00 0.00 ATOM 605 CB ILE 75 45.535 26.589 -2.932 1.00 0.00 ATOM 606 CG1 ILE 75 44.313 26.002 -3.641 1.00 0.00 ATOM 607 CG2 ILE 75 46.699 26.834 -3.897 1.00 0.00 ATOM 608 CD1 ILE 75 43.503 27.042 -4.387 1.00 0.00 ATOM 609 O ILE 75 44.300 24.523 -0.516 1.00 0.00 ATOM 610 C ILE 75 44.873 25.591 -0.730 1.00 0.00 ATOM 611 N THR 76 44.579 26.692 -0.063 1.00 0.00 ATOM 612 CA THR 76 43.432 26.710 0.846 1.00 0.00 ATOM 613 CB THR 76 43.791 27.352 2.188 1.00 0.00 ATOM 614 CG2 THR 76 44.966 26.618 2.887 1.00 0.00 ATOM 615 OG1 THR 76 44.133 28.721 1.970 1.00 0.00 ATOM 616 O THR 76 42.510 28.319 -0.682 1.00 0.00 ATOM 617 C THR 76 42.295 27.513 0.234 1.00 0.00 ATOM 618 N GLU 77 41.085 27.304 0.741 1.00 0.00 ATOM 619 CA GLU 77 39.953 28.095 0.294 1.00 0.00 ATOM 620 CB GLU 77 38.651 27.665 0.987 1.00 0.00 ATOM 621 CG GLU 77 38.172 26.269 0.593 1.00 0.00 ATOM 622 CD GLU 77 37.505 26.187 -0.789 1.00 0.00 ATOM 623 OE1 GLU 77 37.370 27.221 -1.475 1.00 0.00 ATOM 624 OE2 GLU 77 37.103 25.070 -1.192 1.00 0.00 ATOM 625 O GLU 77 39.825 30.384 -0.355 1.00 0.00 ATOM 626 C GLU 77 40.208 29.587 0.488 1.00 0.00 ATOM 627 N ASN 78 40.828 29.983 1.603 1.00 0.00 ATOM 628 CA ASN 78 41.118 31.407 1.762 1.00 0.00 ATOM 629 CB ASN 78 41.641 31.763 3.143 1.00 0.00 ATOM 630 CG ASN 78 41.943 33.257 3.265 1.00 0.00 ATOM 631 ND2 ASN 78 43.198 33.579 3.565 1.00 0.00 ATOM 632 OD1 ASN 78 41.061 34.114 3.063 1.00 0.00 ATOM 633 O ASN 78 41.874 33.024 0.167 1.00 0.00 ATOM 634 C ASN 78 42.082 31.932 0.716 1.00 0.00 ATOM 635 N GLN 79 43.141 31.176 0.436 1.00 0.00 ATOM 636 CA GLN 79 44.056 31.619 -0.606 1.00 0.00 ATOM 637 CB GLN 79 45.224 30.661 -0.757 1.00 0.00 ATOM 638 CG GLN 79 46.206 30.745 0.397 1.00 0.00 ATOM 639 CD GLN 79 47.174 29.603 0.413 1.00 0.00 ATOM 640 OE1 GLN 79 46.865 28.529 -0.079 1.00 0.00 ATOM 641 NE2 GLN 79 48.365 29.831 0.951 1.00 0.00 ATOM 642 O GLN 79 43.565 32.745 -2.651 1.00 0.00 ATOM 643 C GLN 79 43.333 31.776 -1.926 1.00 0.00 ATOM 644 N PHE 80 42.446 30.838 -2.247 1.00 0.00 ATOM 645 CA PHE 80 41.707 30.976 -3.492 1.00 0.00 ATOM 646 CB PHE 80 40.875 29.735 -3.803 1.00 0.00 ATOM 647 CG PHE 80 40.285 29.756 -5.175 1.00 0.00 ATOM 648 CD1 PHE 80 41.097 29.535 -6.285 1.00 0.00 ATOM 649 CD2 PHE 80 38.934 30.009 -5.360 1.00 0.00 ATOM 650 CE1 PHE 80 40.568 29.561 -7.562 1.00 0.00 ATOM 651 CE2 PHE 80 38.388 30.035 -6.646 1.00 0.00 ATOM 652 CZ PHE 80 39.210 29.810 -7.745 1.00 0.00 ATOM 653 O PHE 80 40.721 32.925 -4.480 1.00 0.00 ATOM 654 C PHE 80 40.823 32.225 -3.471 1.00 0.00 ATOM 655 N ARG 81 40.187 32.523 -2.336 1.00 0.00 ATOM 656 CA ARG 81 39.382 33.738 -2.246 1.00 0.00 ATOM 657 CB ARG 81 38.628 33.783 -0.897 1.00 0.00 ATOM 658 CG ARG 81 37.381 32.897 -0.863 1.00 0.00 ATOM 659 CD ARG 81 36.495 33.144 0.376 1.00 0.00 ATOM 660 NE ARG 81 37.190 32.773 1.603 1.00 0.00 ATOM 661 CZ ARG 81 37.120 31.579 2.189 1.00 0.00 ATOM 662 NH1 ARG 81 37.791 31.357 3.313 1.00 0.00 ATOM 663 NH2 ARG 81 36.383 30.608 1.662 1.00 0.00 ATOM 664 O ARG 81 39.651 36.039 -2.842 1.00 0.00 ATOM 665 C ARG 81 40.203 35.011 -2.457 1.00 0.00 ATOM 666 N GLU 82 41.507 34.924 -2.189 1.00 0.00 ATOM 667 CA GLU 82 42.444 36.044 -2.339 1.00 0.00 ATOM 668 CB GLU 82 43.579 35.914 -1.311 1.00 0.00 ATOM 669 CG GLU 82 43.148 36.095 0.140 1.00 0.00 ATOM 670 CD GLU 82 44.203 35.646 1.143 1.00 0.00 ATOM 671 OE1 GLU 82 45.035 34.766 0.834 1.00 0.00 ATOM 672 OE2 GLU 82 44.189 36.159 2.276 1.00 0.00 ATOM 673 O GLU 82 43.895 36.995 -3.990 1.00 0.00 ATOM 674 C GLU 82 43.046 36.142 -3.738 1.00 0.00 ATOM 675 N ARG 83 42.606 35.284 -4.648 1.00 0.00 ATOM 676 CA ARG 83 43.165 35.272 -5.993 1.00 0.00 ATOM 677 CB ARG 83 42.600 34.096 -6.773 1.00 0.00 ATOM 678 CG ARG 83 41.191 34.321 -7.277 1.00 0.00 ATOM 679 CD ARG 83 40.581 33.020 -7.720 1.00 0.00 ATOM 680 NE ARG 83 39.186 33.169 -8.147 1.00 0.00 ATOM 681 CZ ARG 83 38.147 33.292 -7.322 1.00 0.00 ATOM 682 NH1 ARG 83 36.921 33.408 -7.820 1.00 0.00 ATOM 683 NH2 ARG 83 38.329 33.309 -6.003 1.00 0.00 ATOM 684 O ARG 83 41.869 37.245 -6.424 1.00 0.00 ATOM 685 C ARG 83 42.839 36.561 -6.732 1.00 0.00 ATOM 686 N ILE 84 43.675 36.876 -7.711 1.00 0.00 ATOM 687 CA ILE 84 43.411 37.977 -8.616 1.00 0.00 ATOM 688 CB ILE 84 44.546 39.038 -8.547 1.00 0.00 ATOM 689 CG1 ILE 84 44.659 39.626 -7.133 1.00 0.00 ATOM 690 CG2 ILE 84 44.345 40.143 -9.608 1.00 0.00 ATOM 691 CD1 ILE 84 46.000 40.318 -6.871 1.00 0.00 ATOM 692 O ILE 84 44.240 36.641 -10.412 1.00 0.00 ATOM 693 C ILE 84 43.340 37.366 -10.010 1.00 0.00 ATOM 694 N VAL 85 42.269 37.670 -10.730 1.00 0.00 ATOM 695 CA VAL 85 42.103 37.218 -12.100 1.00 0.00 ATOM 696 CB VAL 85 40.805 36.417 -12.277 1.00 0.00 ATOM 697 CG1 VAL 85 40.556 36.141 -13.745 1.00 0.00 ATOM 698 CG2 VAL 85 40.865 35.107 -11.496 1.00 0.00 ATOM 699 O VAL 85 41.358 39.413 -12.751 1.00 0.00 ATOM 700 C VAL 85 42.092 38.446 -13.001 1.00 0.00 ATOM 701 N ILE 86 42.949 38.402 -14.017 1.00 0.00 ATOM 702 CA ILE 86 43.060 39.475 -15.005 1.00 0.00 ATOM 703 CB ILE 86 44.453 40.122 -14.949 1.00 0.00 ATOM 704 CG1 ILE 86 44.642 40.679 -13.533 1.00 0.00 ATOM 705 CG2 ILE 86 44.612 41.221 -16.020 1.00 0.00 ATOM 706 CD1 ILE 86 46.012 41.122 -13.211 1.00 0.00 ATOM 707 O ILE 86 43.176 37.865 -16.765 1.00 0.00 ATOM 708 C ILE 86 42.732 38.944 -16.384 1.00 0.00 ATOM 709 N GLY 87 41.925 39.710 -17.101 1.00 0.00 ATOM 710 CA GLY 87 41.505 39.337 -18.440 1.00 0.00 ATOM 711 O GLY 87 42.135 41.594 -18.932 1.00 0.00 ATOM 712 C GLY 87 41.560 40.563 -19.323 1.00 0.00 ATOM 713 N TYR 88 40.971 40.459 -20.511 1.00 0.00 ATOM 714 CA TYR 88 40.837 41.607 -21.398 1.00 0.00 ATOM 715 CB TYR 88 40.231 41.173 -22.740 1.00 0.00 ATOM 716 CG TYR 88 41.200 40.572 -23.752 1.00 0.00 ATOM 717 CD1 TYR 88 42.294 41.301 -24.218 1.00 0.00 ATOM 718 CD2 TYR 88 41.001 39.288 -24.272 1.00 0.00 ATOM 719 CE1 TYR 88 43.172 40.769 -25.156 1.00 0.00 ATOM 720 CE2 TYR 88 41.880 38.745 -25.225 1.00 0.00 ATOM 721 CZ TYR 88 42.959 39.501 -25.659 1.00 0.00 ATOM 722 OH TYR 88 43.851 39.006 -26.582 1.00 0.00 ATOM 723 O TYR 88 38.929 42.266 -20.086 1.00 0.00 ATOM 724 C TYR 88 39.935 42.634 -20.709 1.00 0.00 ATOM 725 N SER 89 40.304 43.912 -20.805 1.00 0.00 ATOM 726 CA SER 89 39.540 45.001 -20.174 1.00 0.00 ATOM 727 CB SER 89 40.033 45.218 -18.741 1.00 0.00 ATOM 728 OG SER 89 41.285 45.894 -18.738 1.00 0.00 ATOM 729 O SER 89 40.125 46.369 -22.070 1.00 0.00 ATOM 730 C SER 89 39.639 46.317 -20.941 1.00 0.00 ENDMDL EXPDTA 2ivyA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2ivyA ATOM 1 N ALA 2 40.193 16.462 3.263 1.00 0.00 ATOM 2 CA ALA 2 40.904 16.509 1.947 1.00 0.00 ATOM 3 CB ALA 2 40.018 15.966 0.833 1.00 0.00 ATOM 4 O ALA 2 40.708 18.914 1.863 1.00 0.00 ATOM 5 C ALA 2 41.390 17.914 1.601 1.00 0.00 ATOM 6 N MET 3 42.561 17.990 0.984 1.00 0.00 ATOM 7 CA MET 3 43.114 19.275 0.671 1.00 0.00 ATOM 8 CB MET 3 44.634 19.191 0.547 1.00 0.00 ATOM 9 CG MET 3 45.366 18.980 1.850 1.00 0.00 ATOM 10 SD MET 3 47.110 19.345 1.605 1.00 0.00 ATOM 11 CE MET 3 47.722 19.181 3.278 1.00 0.00 ATOM 12 O MET 3 42.156 18.964 -1.506 1.00 0.00 ATOM 13 C MET 3 42.520 19.760 -0.644 1.00 0.00 ATOM 14 N LEU 4 42.411 21.074 -0.768 1.00 0.00 ATOM 15 CA LEU 4 42.072 21.709 -2.035 1.00 0.00 ATOM 16 CB LEU 4 41.478 23.106 -1.777 1.00 0.00 ATOM 17 CG LEU 4 41.017 23.979 -2.961 1.00 0.00 ATOM 18 CD1 LEU 4 39.839 23.358 -3.673 1.00 0.00 ATOM 19 CD2 LEU 4 40.626 25.390 -2.490 1.00 0.00 ATOM 20 O LEU 4 44.408 22.123 -2.430 1.00 0.00 ATOM 21 C LEU 4 43.319 21.799 -2.908 1.00 0.00 ATOM 22 N TYR 5 43.135 21.515 -4.192 1.00 0.00 ATOM 23 CA TYR 5 44.208 21.648 -5.164 1.00 0.00 ATOM 24 CB TYR 5 44.625 20.281 -5.743 1.00 0.00 ATOM 25 CG TYR 5 45.277 19.398 -4.699 1.00 0.00 ATOM 26 CD1 TYR 5 46.668 19.383 -4.540 1.00 0.00 ATOM 27 CD2 TYR 5 44.503 18.599 -3.853 1.00 0.00 ATOM 28 CE1 TYR 5 47.268 18.607 -3.564 1.00 0.00 ATOM 29 CE2 TYR 5 45.097 17.817 -2.875 1.00 0.00 ATOM 30 CZ TYR 5 46.478 17.819 -2.743 1.00 0.00 ATOM 31 OH TYR 5 47.082 17.057 -1.781 1.00 0.00 ATOM 32 O TYR 5 42.638 22.572 -6.714 1.00 0.00 ATOM 33 C TYR 5 43.798 22.553 -6.306 1.00 0.00 ATOM 34 N LEU 6 44.793 23.263 -6.831 1.00 0.00 ATOM 35 CA LEU 6 44.686 23.994 -8.085 1.00 0.00 ATOM 36 CB LEU 6 45.283 25.382 -7.882 1.00 0.00 ATOM 37 CG LEU 6 45.158 26.469 -8.917 1.00 0.00 ATOM 38 CD1 LEU 6 43.689 26.751 -9.207 1.00 0.00 ATOM 39 CD2 LEU 6 45.860 27.721 -8.371 1.00 0.00 ATOM 40 O LEU 6 46.591 22.749 -8.857 1.00 0.00 ATOM 41 C LEU 6 45.469 23.215 -9.130 1.00 0.00 ATOM 42 N ILE 7 44.875 23.059 -10.315 1.00 0.00 ATOM 43 CA ILE 7 45.525 22.358 -11.424 1.00 0.00 ATOM 44 CB ILE 7 44.820 21.019 -11.750 1.00 0.00 ATOM 45 CG1 ILE 7 44.779 20.119 -10.507 1.00 0.00 ATOM 46 CG2 ILE 7 45.509 20.329 -12.929 1.00 0.00 ATOM 47 CD1 ILE 7 44.204 18.710 -10.770 1.00 0.00 ATOM 48 O ILE 7 44.506 23.620 -13.155 1.00 0.00 ATOM 49 C ILE 7 45.557 23.255 -12.645 1.00 0.00 ATOM 50 N PHE 8 46.761 23.615 -13.083 1.00 0.00 ATOM 51 CA PHE 8 46.938 24.460 -14.257 1.00 0.00 ATOM 52 CB PHE 8 47.867 25.654 -13.933 1.00 0.00 ATOM 53 CG PHE 8 48.460 26.321 -15.167 1.00 0.00 ATOM 54 CD1 PHE 8 47.728 27.267 -15.878 1.00 0.00 ATOM 55 CD2 PHE 8 49.740 25.990 -15.619 1.00 0.00 ATOM 56 CE1 PHE 8 48.246 27.875 -17.004 1.00 0.00 ATOM 57 CE2 PHE 8 50.266 26.595 -16.752 1.00 0.00 ATOM 58 CZ PHE 8 49.513 27.541 -17.443 1.00 0.00 ATOM 59 O PHE 8 48.517 22.836 -14.964 1.00 0.00 ATOM 60 C PHE 8 47.630 23.617 -15.297 1.00 0.00 ATOM 61 N TYR 9 47.289 23.805 -16.565 1.00 0.00 ATOM 62 CA TYR 9 48.063 23.118 -17.584 1.00 0.00 ATOM 63 CB TYR 9 47.481 21.732 -17.886 1.00 0.00 ATOM 64 CG TYR 9 46.028 21.698 -18.283 1.00 0.00 ATOM 65 CD1 TYR 9 45.638 21.881 -19.601 1.00 0.00 ATOM 66 CD2 TYR 9 45.039 21.445 -17.335 1.00 0.00 ATOM 67 CE1 TYR 9 44.289 21.808 -19.975 1.00 0.00 ATOM 68 CE2 TYR 9 43.707 21.386 -17.695 1.00 0.00 ATOM 69 CZ TYR 9 43.325 21.573 -19.010 1.00 0.00 ATOM 70 OH TYR 9 41.999 21.491 -19.372 1.00 0.00 ATOM 71 O TYR 9 47.514 24.895 -19.095 1.00 0.00 ATOM 72 C TYR 9 48.268 23.947 -18.834 1.00 0.00 ATOM 73 N ASP 10 49.292 23.554 -19.594 1.00 0.00 ATOM 74 CA ASP 10 49.672 24.196 -20.839 1.00 0.00 ATOM 75 CB ASP 10 50.917 25.056 -20.592 1.00 0.00 ATOM 76 CG ASP 10 51.432 25.731 -21.846 1.00 0.00 ATOM 77 OD1 ASP 10 50.754 25.742 -22.908 1.00 0.00 ATOM 78 OD2 ASP 10 52.557 26.248 -21.768 1.00 0.00 ATOM 79 O ASP 10 51.050 22.438 -21.682 1.00 0.00 ATOM 80 C ASP 10 49.985 23.056 -21.781 1.00 0.00 ATOM 81 N ILE 11 49.035 22.749 -22.657 1.00 0.00 ATOM 82 CA ILE 11 49.124 21.577 -23.521 1.00 0.00 ATOM 83 CB ILE 11 48.153 20.455 -23.062 1.00 0.00 ATOM 84 CG1 ILE 11 48.519 20.009 -21.648 1.00 0.00 ATOM 85 CG2 ILE 11 48.180 19.269 -24.053 1.00 0.00 ATOM 86 CD1 ILE 11 47.515 19.084 -21.033 1.00 0.00 ATOM 87 O ILE 11 47.661 22.392 -25.193 1.00 0.00 ATOM 88 C ILE 11 48.801 22.022 -24.920 1.00 0.00 ATOM 89 N THR 12 49.793 22.013 -25.809 1.00 0.00 ATOM 90 CA THR 12 49.562 22.581 -27.132 1.00 0.00 ATOM 91 CB THR 12 50.878 22.996 -27.787 1.00 0.00 ATOM 92 CG2 THR 12 51.542 24.116 -26.987 1.00 0.00 ATOM 93 OG1 THR 12 51.752 21.878 -27.768 1.00 0.00 ATOM 94 O THR 12 48.094 22.103 -28.977 1.00 0.00 ATOM 95 C THR 12 48.779 21.643 -28.054 1.00 0.00 ATOM 96 N ASP 13 48.886 20.336 -27.829 1.00 0.00 ATOM 97 CA ASP 13 48.185 19.379 -28.686 1.00 0.00 ATOM 98 CB ASP 13 48.771 17.980 -28.535 1.00 0.00 ATOM 99 CG ASP 13 48.179 17.012 -29.532 1.00 0.00 ATOM 100 OD1 ASP 13 48.681 16.945 -30.668 1.00 0.00 ATOM 101 OD2 ASP 13 47.189 16.355 -29.195 1.00 0.00 ATOM 102 O ASP 13 46.368 19.036 -27.169 1.00 0.00 ATOM 103 C ASP 13 46.707 19.363 -28.307 1.00 0.00 ATOM 104 N ASP 14 45.832 19.702 -29.256 1.00 0.00 ATOM 105 CA ASP 14 44.388 19.788 -28.983 1.00 0.00 ATOM 106 CB ASP 14 43.616 20.191 -30.244 1.00 0.00 ATOM 107 CG ASP 14 43.870 21.631 -30.667 1.00 0.00 ATOM 108 OD1 ASP 14 44.418 22.433 -29.876 1.00 0.00 ATOM 109 OD2 ASP 14 43.482 21.964 -31.810 1.00 0.00 ATOM 110 O ASP 14 42.997 18.503 -27.534 1.00 0.00 ATOM 111 C ASP 14 43.809 18.484 -28.452 1.00 0.00 ATOM 112 N ASN 15 44.236 17.357 -29.020 1.00 0.00 ATOM 113 CA ASN 15 43.739 16.041 -28.604 1.00 0.00 ATOM 114 CB ASN 15 44.246 14.958 -29.570 1.00 0.00 ATOM 115 CG ASN 15 43.888 13.549 -29.121 1.00 0.00 ATOM 116 ND2 ASN 15 42.632 13.156 -29.312 1.00 0.00 ATOM 117 OD1 ASN 15 44.744 12.818 -28.613 1.00 0.00 ATOM 118 O ASN 15 43.234 15.311 -26.359 1.00 0.00 ATOM 119 C ASN 15 44.101 15.720 -27.152 1.00 0.00 ATOM 120 N LEU 16 45.366 15.942 -26.798 1.00 0.00 ATOM 121 CA LEU 16 45.821 15.649 -25.447 1.00 0.00 ATOM 122 CB LEU 16 47.344 15.721 -25.303 1.00 0.00 ATOM 123 CG LEU 16 48.143 14.709 -26.126 1.00 0.00 ATOM 124 CD1 LEU 16 49.627 14.863 -25.822 1.00 0.00 ATOM 125 CD2 LEU 16 47.668 13.272 -25.882 1.00 0.00 ATOM 126 O LEU 16 44.799 16.199 -23.386 1.00 0.00 ATOM 127 C LEU 16 45.174 16.602 -24.475 1.00 0.00 ATOM 128 N ARG 17 45.030 17.867 -24.873 1.00 0.00 ATOM 129 CA ARG 17 44.410 18.855 -23.975 1.00 0.00 ATOM 130 CB ARG 17 44.432 20.247 -24.614 1.00 0.00 ATOM 131 CG ARG 17 43.951 21.331 -23.647 1.00 0.00 ATOM 132 CD ARG 17 43.690 22.667 -24.296 1.00 0.00 ATOM 133 NE ARG 17 44.768 22.937 -25.214 1.00 0.00 ATOM 134 CZ ARG 17 44.641 22.970 -26.537 1.00 0.00 ATOM 135 NH1 ARG 17 43.451 22.852 -27.126 1.00 0.00 ATOM 136 NH2 ARG 17 45.722 23.154 -27.265 1.00 0.00 ATOM 137 O ARG 17 42.520 18.529 -22.537 1.00 0.00 ATOM 138 C ARG 17 42.970 18.468 -23.679 1.00 0.00 ATOM 139 N ASN 18 42.249 18.039 -24.716 1.00 0.00 ATOM 140 CA ASN 18 40.875 17.611 -24.521 1.00 0.00 ATOM 141 CB ASN 18 40.162 17.447 -25.874 1.00 0.00 ATOM 142 CG ASN 18 39.860 18.793 -26.540 1.00 0.00 ATOM 143 ND2 ASN 18 39.587 18.759 -27.830 1.00 0.00 ATOM 144 OD1 ASN 18 39.887 19.851 -25.893 1.00 0.00 ATOM 145 O ASN 18 39.861 16.264 -22.813 1.00 0.00 ATOM 146 C ASN 18 40.773 16.366 -23.643 1.00 0.00 ATOM 147 N ARG 19 41.730 15.450 -23.769 1.00 0.00 ATOM 148 CA ARG 19 41.750 14.280 -22.893 1.00 0.00 ATOM 149 CB ARG 19 42.844 13.283 -23.278 1.00 0.00 ATOM 150 CG ARG 19 42.429 12.176 -24.171 1.00 0.00 ATOM 151 CD ARG 19 43.659 11.387 -24.578 1.00 0.00 ATOM 152 NE ARG 19 44.014 10.298 -23.658 1.00 0.00 ATOM 153 CZ ARG 19 45.066 9.502 -23.842 1.00 0.00 ATOM 154 NH1 ARG 19 45.853 9.674 -24.905 1.00 0.00 ATOM 155 NH2 ARG 19 45.332 8.524 -22.987 1.00 0.00 ATOM 156 O ARG 19 41.314 14.105 -20.541 1.00 0.00 ATOM 157 C ARG 19 41.941 14.677 -21.441 1.00 0.00 ATOM 158 N VAL 20 42.827 15.646 -21.199 1.00 0.00 ATOM 159 CA VAL 20 43.040 16.128 -19.845 1.00 0.00 ATOM 160 CB VAL 20 44.256 17.077 -19.773 1.00 0.00 ATOM 161 CG1 VAL 20 44.315 17.817 -18.426 1.00 0.00 ATOM 162 CG2 VAL 20 45.535 16.301 -20.039 1.00 0.00 ATOM 163 O VAL 20 41.337 16.464 -18.192 1.00 0.00 ATOM 164 C VAL 20 41.768 16.790 -19.307 1.00 0.00 ATOM 165 N ALA 21 41.153 17.690 -20.092 1.00 0.00 ATOM 166 CA ALA 21 39.957 18.390 -19.616 1.00 0.00 ATOM 167 CB ALA 21 39.491 19.408 -20.639 1.00 0.00 ATOM 168 O ALA 21 38.168 17.467 -18.282 1.00 0.00 ATOM 169 C ALA 21 38.849 17.380 -19.307 1.00 0.00 ATOM 170 N GLU 22 38.672 16.404 -20.190 1.00 0.00 ATOM 171 CA GLU 22 37.634 15.397 -19.992 1.00 0.00 ATOM 172 CB GLU 22 37.533 14.481 -21.206 1.00 0.00 ATOM 173 CG GLU 22 36.897 15.142 -22.404 1.00 0.00 ATOM 174 CD GLU 22 37.019 14.309 -23.668 1.00 0.00 ATOM 175 OE1 GLU 22 37.748 13.284 -23.663 1.00 0.00 ATOM 176 OE2 GLU 22 36.398 14.693 -24.678 1.00 0.00 ATOM 177 O GLU 22 36.977 14.288 -17.966 1.00 0.00 ATOM 178 C GLU 22 37.897 14.568 -18.741 1.00 0.00 ATOM 179 N PHE 23 39.157 14.198 -18.530 1.00 0.00 ATOM 180 CA PHE 23 39.537 13.403 -17.376 1.00 0.00 ATOM 181 CB PHE 23 41.002 12.966 -17.503 1.00 0.00 ATOM 182 CG PHE 23 41.518 12.202 -16.314 1.00 0.00 ATOM 183 CD1 PHE 23 40.976 10.976 -15.981 1.00 0.00 ATOM 184 CD2 PHE 23 42.571 12.701 -15.570 1.00 0.00 ATOM 185 CE1 PHE 23 41.446 10.278 -14.885 1.00 0.00 ATOM 186 CE2 PHE 23 43.056 12.006 -14.487 1.00 0.00 ATOM 187 CZ PHE 23 42.505 10.802 -14.149 1.00 0.00 ATOM 188 O PHE 23 38.669 13.618 -15.152 1.00 0.00 ATOM 189 C PHE 23 39.275 14.159 -16.087 1.00 0.00 ATOM 190 N LEU 24 39.709 15.411 -16.029 1.00 0.00 ATOM 191 CA LEU 24 39.527 16.175 -14.805 1.00 0.00 ATOM 192 CB LEU 24 40.335 17.470 -14.864 1.00 0.00 ATOM 193 CG LEU 24 41.862 17.250 -14.920 1.00 0.00 ATOM 194 CD1 LEU 24 42.577 18.595 -15.016 1.00 0.00 ATOM 195 CD2 LEU 24 42.377 16.464 -13.713 1.00 0.00 ATOM 196 O LEU 24 37.630 16.407 -13.379 1.00 0.00 ATOM 197 C LEU 24 38.049 16.433 -14.528 1.00 0.00 ATOM 198 N LYS 25 37.254 16.678 -15.569 1.00 0.00 ATOM 199 CA LYS 25 35.813 16.797 -15.381 1.00 0.00 ATOM 200 CB LYS 25 35.141 17.144 -16.696 1.00 0.00 ATOM 201 CG LYS 25 33.628 17.248 -16.612 1.00 0.00 ATOM 202 CD LYS 25 33.022 17.602 -17.966 1.00 0.00 ATOM 203 CE LYS 25 31.500 17.528 -17.951 1.00 0.00 ATOM 204 NZ LYS 25 30.916 18.004 -19.236 1.00 0.00 ATOM 205 O LYS 25 34.426 15.546 -13.887 1.00 0.00 ATOM 206 C LYS 25 35.232 15.506 -14.807 1.00 0.00 ATOM 207 N LYS 26 35.639 14.365 -15.353 1.00 0.00 ATOM 208 CA LYS 26 35.114 13.074 -14.880 1.00 0.00 ATOM 209 CB LYS 26 35.636 11.939 -15.749 1.00 0.00 ATOM 210 CG LYS 26 34.909 11.798 -17.059 1.00 0.00 ATOM 211 CD LYS 26 35.579 10.776 -17.944 1.00 0.00 ATOM 212 CE LYS 26 35.134 10.952 -19.375 1.00 0.00 ATOM 213 NZ LYS 26 36.157 10.472 -20.339 1.00 0.00 ATOM 214 O LYS 26 34.692 12.167 -12.700 1.00 0.00 ATOM 215 C LYS 26 35.460 12.818 -13.418 1.00 0.00 ATOM 216 N LYS 27 36.611 13.342 -12.987 1.00 0.00 ATOM 217 CA LYS 27 37.058 13.243 -11.589 1.00 0.00 ATOM 218 CB LYS 27 38.561 13.529 -11.504 1.00 0.00 ATOM 219 CG LYS 27 39.412 12.486 -12.189 1.00 0.00 ATOM 220 CD LYS 27 39.443 11.217 -11.381 1.00 0.00 ATOM 221 CE LYS 27 38.925 10.050 -12.187 1.00 0.00 ATOM 222 NZ LYS 27 38.848 8.804 -11.369 1.00 0.00 ATOM 223 O LYS 27 36.465 14.119 -9.432 1.00 0.00 ATOM 224 C LYS 27 36.305 14.185 -10.660 1.00 0.00 ATOM 225 N GLY 28 35.480 15.045 -11.235 1.00 0.00 ATOM 226 CA GLY 28 34.627 15.919 -10.445 1.00 0.00 ATOM 227 O GLY 28 34.718 17.970 -9.258 1.00 0.00 ATOM 228 C GLY 28 35.263 17.243 -10.075 1.00 0.00 ATOM 229 N LEU 29 36.394 17.578 -10.691 1.00 0.00 ATOM 230 CA LEU 29 37.031 18.860 -10.408 1.00 0.00 ATOM 231 CB LEU 29 38.470 18.855 -10.895 1.00 0.00 ATOM 232 CG LEU 29 39.372 17.902 -10.111 1.00 0.00 ATOM 233 CD1 LEU 29 40.704 17.787 -10.769 1.00 0.00 ATOM 234 CD2 LEU 29 39.534 18.333 -8.679 1.00 0.00 ATOM 235 O LEU 29 35.595 19.786 -12.085 1.00 0.00 ATOM 236 C LEU 29 36.252 19.985 -11.063 1.00 0.00 ATOM 237 N ASP 30 36.301 21.159 -10.444 1.00 0.00 ATOM 238 CA ASP 30 35.618 22.348 -10.945 1.00 0.00 ATOM 239 CB ASP 30 35.281 23.266 -9.775 1.00 0.00 ATOM 240 CG ASP 30 34.354 22.601 -8.786 1.00 0.00 ATOM 241 OD1 ASP 30 33.261 22.203 -9.213 1.00 0.00 ATOM 242 OD2 ASP 30 34.728 22.454 -7.607 1.00 0.00 ATOM 243 O ASP 30 37.666 23.316 -11.666 1.00 0.00 ATOM 244 C ASP 30 36.513 23.058 -11.938 1.00 0.00 ATOM 245 N ARG 31 35.969 23.359 -13.101 1.00 0.00 ATOM 246 CA ARG 31 36.730 24.052 -14.123 1.00 0.00 ATOM 247 CB ARG 31 36.222 23.689 -15.505 1.00 0.00 ATOM 248 CG ARG 31 37.162 24.128 -16.620 1.00 0.00 ATOM 249 CD ARG 31 36.693 23.520 -17.924 1.00 0.00 ATOM 250 NE ARG 31 37.634 23.781 -19.006 1.00 0.00 ATOM 251 CZ ARG 31 37.445 23.359 -20.248 1.00 0.00 ATOM 252 NH1 ARG 31 36.344 22.672 -20.563 1.00 0.00 ATOM 253 NH2 ARG 31 38.341 23.634 -21.185 1.00 0.00 ATOM 254 O ARG 31 35.480 26.081 -13.819 1.00 0.00 ATOM 255 C ARG 31 36.603 25.545 -13.906 1.00 0.00 ATOM 256 N ILE 32 37.744 26.225 -13.817 1.00 0.00 ATOM 257 CA ILE 32 37.664 27.673 -13.593 1.00 0.00 ATOM 258 CB ILE 32 38.229 28.098 -12.241 1.00 0.00 ATOM 259 CG1 ILE 32 39.721 27.802 -12.181 1.00 0.00 ATOM 260 CG2 ILE 32 37.445 27.429 -11.095 1.00 0.00 ATOM 261 CD1 ILE 32 40.411 28.343 -10.909 1.00 0.00 ATOM 262 O ILE 32 38.010 29.718 -14.735 1.00 0.00 ATOM 263 C ILE 32 38.207 28.515 -14.723 1.00 0.00 ATOM 264 N GLN 33 38.822 27.865 -15.702 1.00 0.00 ATOM 265 CA GLN 33 39.264 28.544 -16.919 1.00 0.00 ATOM 266 CB GLN 33 40.566 29.316 -16.651 1.00 0.00 ATOM 267 CG GLN 33 40.967 30.302 -17.750 1.00 0.00 ATOM 268 CD GLN 33 42.046 29.785 -18.713 1.00 0.00 ATOM 269 OE1 GLN 33 42.745 28.805 -18.430 1.00 0.00 ATOM 270 NE2 GLN 33 42.190 30.465 -19.853 1.00 0.00 ATOM 271 O GLN 33 39.447 26.279 -17.648 1.00 0.00 ATOM 272 C GLN 33 39.475 27.465 -17.967 1.00 0.00 ATOM 273 N TYR 34 39.717 27.859 -19.215 1.00 0.00 ATOM 274 CA TYR 34 39.978 26.897 -20.269 1.00 0.00 ATOM 275 CB TYR 34 40.463 27.618 -21.527 1.00 0.00 ATOM 276 CG TYR 34 40.586 26.731 -22.739 1.00 0.00 ATOM 277 CD1 TYR 34 39.463 26.118 -23.297 1.00 0.00 ATOM 278 CD2 TYR 34 41.815 26.539 -23.359 1.00 0.00 ATOM 279 CE1 TYR 34 39.574 25.302 -24.428 1.00 0.00 ATOM 280 CE2 TYR 34 41.938 25.735 -24.480 1.00 0.00 ATOM 281 CZ TYR 34 40.811 25.110 -25.008 1.00 0.00 ATOM 282 OH TYR 34 40.908 24.308 -26.127 1.00 0.00 ATOM 283 O TYR 34 40.776 24.649 -20.186 1.00 0.00 ATOM 284 C TYR 34 40.975 25.814 -19.856 1.00 0.00 ATOM 285 N SER 35 42.035 26.196 -19.137 1.00 0.00 ATOM 286 CA SER 35 43.070 25.234 -18.746 1.00 0.00 ATOM 287 CB SER 35 44.352 25.505 -19.511 1.00 0.00 ATOM 288 OG SER 35 44.771 26.807 -19.193 1.00 0.00 ATOM 289 O SER 35 44.532 25.037 -16.856 1.00 0.00 ATOM 290 C SER 35 43.386 25.254 -17.250 1.00 0.00 ATOM 291 N VAL 36 42.368 25.515 -16.422 1.00 0.00 ATOM 292 CA VAL 36 42.552 25.513 -14.971 1.00 0.00 ATOM 293 CB VAL 36 42.722 26.947 -14.394 1.00 0.00 ATOM 294 CG1 VAL 36 43.091 26.891 -12.926 1.00 0.00 ATOM 295 CG2 VAL 36 43.803 27.725 -15.145 1.00 0.00 ATOM 296 O VAL 36 40.213 25.177 -14.601 1.00 0.00 ATOM 297 C VAL 36 41.367 24.853 -14.292 1.00 0.00 ATOM 298 N PHE 37 41.671 23.956 -13.351 1.00 0.00 ATOM 299 CA PHE 37 40.674 23.254 -12.549 1.00 0.00 ATOM 300 CB PHE 37 40.610 21.756 -12.881 1.00 0.00 ATOM 301 CG PHE 37 39.937 21.430 -14.179 1.00 0.00 ATOM 302 CD1 PHE 37 38.670 20.862 -14.188 1.00 0.00 ATOM 303 CD2 PHE 37 40.597 21.635 -15.384 1.00 0.00 ATOM 304 CE1 PHE 37 38.048 20.496 -15.395 1.00 0.00 ATOM 305 CE2 PHE 37 39.986 21.289 -16.594 1.00 0.00 ATOM 306 CZ PHE 37 38.711 20.728 -16.598 1.00 0.00 ATOM 307 O PHE 37 42.169 23.720 -10.746 1.00 0.00 ATOM 308 C PHE 37 41.029 23.392 -11.089 1.00 0.00 ATOM 309 N MET 38 40.053 23.123 -10.226 1.00 0.00 ATOM 310 CA MET 38 40.331 23.090 -8.801 1.00 0.00 ATOM 311 CB MET 38 40.126 24.468 -8.190 1.00 0.00 ATOM 312 CG MET 38 38.689 24.876 -8.084 1.00 0.00 ATOM 313 SD MET 38 38.539 26.551 -7.490 1.00 0.00 ATOM 314 CE MET 38 39.319 26.413 -5.906 1.00 0.00 ATOM 315 O MET 38 38.294 21.852 -8.642 1.00 0.00 ATOM 316 C MET 38 39.394 22.108 -8.146 1.00 0.00 ATOM 317 N GLY 39 39.831 21.562 -7.025 1.00 0.00 ATOM 318 CA GLY 39 38.915 20.749 -6.230 1.00 0.00 ATOM 319 O GLY 39 40.849 20.032 -5.027 1.00 0.00 ATOM 320 C GLY 39 39.622 20.026 -5.123 1.00 0.00 ATOM 321 N ASP 40 38.833 19.400 -4.272 1.00 0.00 ATOM 322 CA ASP 40 39.367 18.666 -3.132 1.00 0.00 ATOM 323 CB ASP 40 38.303 18.528 -2.043 1.00 0.00 ATOM 324 CG ASP 40 37.927 19.849 -1.418 1.00 0.00 ATOM 325 OD1 ASP 40 38.780 20.765 -1.314 1.00 0.00 ATOM 326 OD2 ASP 40 36.754 19.970 -1.007 1.00 0.00 ATOM 327 O ASP 40 39.053 16.621 -4.354 1.00 0.00 ATOM 328 C ASP 40 39.784 17.278 -3.599 1.00 0.00 ATOM 329 N LEU 41 40.938 16.820 -3.119 1.00 0.00 ATOM 330 CA LEU 41 41.419 15.472 -3.410 1.00 0.00 ATOM 331 CB LEU 41 42.446 15.483 -4.547 1.00 0.00 ATOM 332 CG LEU 41 41.942 15.976 -5.909 1.00 0.00 ATOM 333 CD1 LEU 41 43.123 16.281 -6.829 1.00 0.00 ATOM 334 CD2 LEU 41 40.994 14.981 -6.584 1.00 0.00 ATOM 335 O LEU 41 42.980 15.572 -1.600 1.00 0.00 ATOM 336 C LEU 41 42.083 14.933 -2.165 1.00 0.00 ATOM 337 N ASN 42 41.645 13.760 -1.727 1.00 0.00 ATOM 338 CA ASN 42 42.380 13.025 -0.727 1.00 0.00 ATOM 339 CB ASN 42 41.440 12.094 0.048 1.00 0.00 ATOM 340 CG ASN 42 41.026 10.882 -0.760 1.00 0.00 ATOM 341 ND2 ASN 42 40.662 9.817 -0.088 1.00 0.00 ATOM 342 OD1 ASN 42 41.034 10.913 -1.983 1.00 0.00 ATOM 343 O ASN 42 43.817 12.381 -2.543 1.00 0.00 ATOM 344 C ASN 42 43.536 12.242 -1.359 1.00 0.00 ATOM 345 N SER 43 44.211 11.416 -0.569 1.00 0.00 ATOM 346 CA SER 43 45.380 10.707 -1.074 1.00 0.00 ATOM 347 CB SER 43 46.028 9.904 0.059 1.00 0.00 ATOM 348 OG SER 43 45.097 9.003 0.641 1.00 0.00 ATOM 349 O SER 43 45.714 9.817 -3.264 1.00 0.00 ATOM 350 C SER 43 45.036 9.786 -2.240 1.00 0.00 ATOM 351 N SER 44 43.962 9.014 -2.105 1.00 0.00 ATOM 352 CA SER 44 43.571 8.036 -3.120 1.00 0.00 ATOM 353 CB SER 44 42.371 7.201 -2.622 1.00 0.00 ATOM 354 OG SER 44 42.697 6.480 -1.445 1.00 0.00 ATOM 355 O SER 44 43.622 8.352 -5.527 1.00 0.00 ATOM 356 C SER 44 43.199 8.744 -4.416 1.00 0.00 ATOM 357 N ARG 45 42.416 9.810 -4.290 1.00 0.00 ATOM 358 CA ARG 45 41.945 10.496 -5.482 1.00 0.00 ATOM 359 CB ARG 45 40.737 11.366 -5.171 1.00 0.00 ATOM 360 CG ARG 45 39.548 10.506 -4.752 1.00 0.00 ATOM 361 CD ARG 45 38.274 11.288 -4.578 1.00 0.00 ATOM 362 NE ARG 45 37.865 12.041 -5.759 1.00 0.00 ATOM 363 CZ ARG 45 37.641 13.355 -5.764 1.00 0.00 ATOM 364 NH1 ARG 45 37.785 14.070 -4.652 1.00 0.00 ATOM 365 NH2 ARG 45 37.277 13.970 -6.879 1.00 0.00 ATOM 366 O ARG 45 43.161 11.330 -7.353 1.00 0.00 ATOM 367 C ARG 45 43.063 11.295 -6.134 1.00 0.00 ATOM 368 N LEU 46 43.941 11.899 -5.336 1.00 0.00 ATOM 369 CA LEU 46 45.113 12.579 -5.911 1.00 0.00 ATOM 370 CB LEU 46 45.910 13.302 -4.817 1.00 0.00 ATOM 371 CG LEU 46 47.173 14.048 -5.267 1.00 0.00 ATOM 372 CD1 LEU 46 46.836 15.164 -6.269 1.00 0.00 ATOM 373 CD2 LEU 46 47.937 14.588 -4.049 1.00 0.00 ATOM 374 O LEU 46 46.441 11.926 -7.825 1.00 0.00 ATOM 375 C LEU 46 45.996 11.611 -6.709 1.00 0.00 ATOM 376 N LYS 47 46.221 10.419 -6.153 1.00 0.00 ATOM 377 CA LYS 47 47.027 9.422 -6.834 1.00 0.00 ATOM 378 CB LYS 47 47.184 8.189 -5.944 1.00 0.00 ATOM 379 CG LYS 47 48.250 8.320 -4.887 1.00 0.00 ATOM 380 CD LYS 47 48.574 6.967 -4.283 1.00 0.00 ATOM 381 CE LYS 47 49.121 7.110 -2.882 1.00 0.00 ATOM 382 NZ LYS 47 48.002 7.164 -1.900 1.00 0.00 ATOM 383 O LYS 47 47.113 8.853 -9.160 1.00 0.00 ATOM 384 C LYS 47 46.404 9.028 -8.166 1.00 0.00 ATOM 385 N ASP 48 45.082 8.864 -8.186 1.00 0.00 ATOM 386 CA ASP 48 44.397 8.498 -9.413 1.00 0.00 ATOM 387 CB ASP 48 42.925 8.155 -9.148 1.00 0.00 ATOM 388 CG ASP 48 42.143 7.934 -10.451 1.00 0.00 ATOM 389 OD1 ASP 48 42.098 6.793 -10.923 1.00 0.00 ATOM 390 OD2 ASP 48 41.640 8.928 -11.027 1.00 0.00 ATOM 391 O ASP 48 44.745 9.348 -11.635 1.00 0.00 ATOM 392 C ASP 48 44.513 9.612 -10.459 1.00 0.00 ATOM 393 N VAL 49 44.350 10.859 -10.030 1.00 0.00 ATOM 394 CA VAL 49 44.471 11.992 -10.931 1.00 0.00 ATOM 395 CB VAL 49 44.106 13.314 -10.199 1.00 0.00 ATOM 396 CG1 VAL 49 44.538 14.529 -11.012 1.00 0.00 ATOM 397 CG2 VAL 49 42.600 13.385 -9.909 1.00 0.00 ATOM 398 O VAL 49 46.046 12.161 -12.718 1.00 0.00 ATOM 399 C VAL 49 45.880 12.044 -11.509 1.00 0.00 ATOM 400 N GLU 50 46.887 11.935 -10.647 1.00 0.00 ATOM 401 CA GLU 50 48.265 12.005 -11.088 1.00 0.00 ATOM 402 CB GLU 50 49.205 11.965 -9.887 1.00 0.00 ATOM 403 CG GLU 50 50.660 12.171 -10.228 1.00 0.00 ATOM 404 CD GLU 50 51.540 12.126 -9.003 1.00 0.00 ATOM 405 OE1 GLU 50 50.998 11.992 -7.877 1.00 0.00 ATOM 406 OE2 GLU 50 52.775 12.220 -9.169 1.00 0.00 ATOM 407 O GLU 50 49.171 11.112 -13.134 1.00 0.00 ATOM 408 C GLU 50 48.572 10.875 -12.070 1.00 0.00 ATOM 409 N ALA 51 48.150 9.654 -11.739 1.00 0.00 ATOM 410 CA ALA 51 48.420 8.523 -12.633 1.00 0.00 ATOM 411 CB ALA 51 47.965 7.224 -12.013 1.00 0.00 ATOM 412 O ALA 51 48.383 8.374 -15.023 1.00 0.00 ATOM 413 C ALA 51 47.770 8.701 -14.001 1.00 0.00 ATOM 414 N GLY 52 46.533 9.191 -14.018 1.00 0.00 ATOM 415 CA GLY 52 45.811 9.390 -15.277 1.00 0.00 ATOM 416 O GLY 52 46.601 10.301 -17.354 1.00 0.00 ATOM 417 C GLY 52 46.469 10.454 -16.136 1.00 0.00 ATOM 418 N LEU 53 46.873 11.551 -15.504 1.00 0.00 ATOM 419 CA LEU 53 47.516 12.629 -16.251 1.00 0.00 ATOM 420 CB LEU 53 47.681 13.863 -15.367 1.00 0.00 ATOM 421 CG LEU 53 46.363 14.513 -14.929 1.00 0.00 ATOM 422 CD1 LEU 53 46.630 15.612 -13.916 1.00 0.00 ATOM 423 CD2 LEU 53 45.565 15.046 -16.127 1.00 0.00 ATOM 424 O LEU 53 49.216 12.516 -17.941 1.00 0.00 ATOM 425 C LEU 53 48.859 12.170 -16.809 1.00 0.00 ATOM 426 N LYS 54 49.610 11.394 -16.031 1.00 0.00 ATOM 427 CA LYS 54 50.878 10.872 -16.538 1.00 0.00 ATOM 428 CB LYS 54 51.653 10.131 -15.461 1.00 0.00 ATOM 429 CG LYS 54 52.263 11.047 -14.435 1.00 0.00 ATOM 430 CD LYS 54 52.963 10.230 -13.365 1.00 0.00 ATOM 431 CE LYS 54 53.183 11.058 -12.127 1.00 0.00 ATOM 432 NZ LYS 54 53.856 12.342 -12.415 1.00 0.00 ATOM 433 O LYS 54 51.458 10.017 -18.698 1.00 0.00 ATOM 434 C LYS 54 50.667 9.968 -17.748 1.00 0.00 ATOM 435 N ILE 55 49.607 9.159 -17.739 1.00 0.00 ATOM 436 CA ILE 55 49.306 8.293 -18.888 1.00 0.00 ATOM 437 CB ILE 55 48.110 7.373 -18.600 1.00 0.00 ATOM 438 CG1 ILE 55 48.551 6.298 -17.610 1.00 0.00 ATOM 439 CG2 ILE 55 47.513 6.783 -19.914 1.00 0.00 ATOM 440 CD1 ILE 55 47.408 5.603 -16.928 1.00 0.00 ATOM 441 O ILE 55 49.521 8.831 -21.208 1.00 0.00 ATOM 442 C ILE 55 49.024 9.126 -20.125 1.00 0.00 ATOM 443 N ILE 56 48.244 10.184 -19.964 1.00 0.00 ATOM 444 CA ILE 56 47.957 11.059 -21.100 1.00 0.00 ATOM 445 CB ILE 56 46.906 12.134 -20.732 1.00 0.00 ATOM 446 CG1 ILE 56 45.584 11.457 -20.342 1.00 0.00 ATOM 447 CG2 ILE 56 46.690 13.131 -21.879 1.00 0.00 ATOM 448 CD1 ILE 56 44.609 12.366 -19.606 1.00 0.00 ATOM 449 O ILE 56 49.382 11.789 -22.885 1.00 0.00 ATOM 450 C ILE 56 49.242 11.661 -21.668 1.00 0.00 ATOM 451 N GLY 57 50.187 12.005 -20.794 1.00 0.00 ATOM 452 CA GLY 57 51.474 12.532 -21.240 1.00 0.00 ATOM 453 O GLY 57 53.703 11.860 -21.784 1.00 0.00 ATOM 454 C GLY 57 52.537 11.496 -21.571 1.00 0.00 ATOM 455 N ASN 58 52.160 10.218 -21.638 1.00 0.00 ATOM 456 CA ASN 58 53.171 9.158 -21.817 1.00 0.00 ATOM 457 CB ASN 58 52.760 7.844 -21.124 1.00 0.00 ATOM 458 CG ASN 58 53.864 6.788 -21.132 1.00 0.00 ATOM 459 ND2 ASN 58 53.465 5.532 -20.978 1.00 0.00 ATOM 460 OD1 ASN 58 55.052 7.091 -21.278 1.00 0.00 ATOM 461 O ASN 58 53.144 7.958 -23.916 1.00 0.00 ATOM 462 C ASN 58 53.487 8.969 -23.291 1.00 0.00 ATOM 463 N ARG 59 54.136 9.986 -23.836 1.00 0.00 ATOM 464 CA ARG 59 54.590 9.970 -25.212 1.00 0.00 ATOM 465 CB ARG 59 53.453 10.319 -26.178 1.00 0.00 ATOM 466 CG ARG 59 52.858 11.710 -26.016 1.00 0.00 ATOM 467 CD ARG 59 51.806 11.962 -27.091 1.00 0.00 ATOM 468 NE ARG 59 50.647 11.086 -26.933 1.00 0.00 ATOM 469 CZ ARG 59 49.734 10.850 -27.875 1.00 0.00 ATOM 470 NH1 ARG 59 49.832 11.422 -29.071 1.00 0.00 ATOM 471 NH2 ARG 59 48.721 10.035 -27.621 1.00 0.00 ATOM 472 O ARG 59 56.133 11.630 -24.425 1.00 0.00 ATOM 473 C ARG 59 55.759 10.923 -25.369 1.00 0.00 ATOM 474 N LYS 60 56.338 10.931 -26.562 1.00 0.00 ATOM 475 CA LYS 60 57.451 11.815 -26.834 1.00 0.00 ATOM 476 CB LYS 60 58.612 11.067 -27.505 1.00 0.00 ATOM 477 CG LYS 60 58.252 10.272 -28.756 1.00 0.00 ATOM 478 CD LYS 60 59.502 9.682 -29.398 1.00 0.00 ATOM 479 CE LYS 60 59.184 8.971 -30.709 1.00 0.00 ATOM 480 NZ LYS 60 60.391 8.336 -31.310 1.00 0.00 ATOM 481 O LYS 60 56.214 12.849 -28.619 1.00 0.00 ATOM 482 C LYS 60 56.996 12.998 -27.671 1.00 0.00 ATOM 483 N LYS 61 57.484 14.170 -27.284 1.00 0.00 ATOM 484 CA LYS 61 57.299 15.404 -28.017 1.00 0.00 ATOM 485 CB LYS 61 58.067 16.492 -27.287 1.00 0.00 ATOM 486 CG LYS 61 57.900 17.863 -27.872 1.00 0.00 ATOM 487 CD LYS 61 58.763 18.872 -27.143 1.00 0.00 ATOM 488 CE LYS 61 58.338 19.026 -25.692 1.00 0.00 ATOM 489 NZ LYS 61 58.703 20.356 -25.180 1.00 0.00 ATOM 490 O LYS 61 58.953 14.685 -29.602 1.00 0.00 ATOM 491 C LYS 61 57.867 15.247 -29.433 1.00 0.00 ATOM 492 N LEU 62 57.139 15.738 -30.436 1.00 0.00 ATOM 493 CA LEU 62 57.546 15.605 -31.845 1.00 0.00 ATOM 494 CB LEU 62 56.426 14.944 -32.659 1.00 0.00 ATOM 495 CG LEU 62 56.131 13.451 -32.453 1.00 0.00 ATOM 496 CD1 LEU 62 54.800 13.081 -33.089 1.00 0.00 ATOM 497 CD2 LEU 62 57.244 12.573 -33.016 1.00 0.00 ATOM 498 O LEU 62 58.672 16.844 -33.588 1.00 0.00 ATOM 499 C LEU 62 58.004 16.900 -32.547 1.00 0.00 ATOM 500 N GLN 63 57.657 18.049 -31.976 1.00 0.00 ATOM 501 CA GLN 63 58.093 19.331 -32.523 1.00 0.00 ATOM 502 CB GLN 63 57.006 19.928 -33.420 1.00 0.00 ATOM 503 NE2 GLN 63 58.434 22.909 -35.128 1.00 0.00 ATOM 504 O GLN 63 57.777 20.415 -30.406 1.00 0.00 ATOM 505 C GLN 63 58.466 20.319 -31.422 1.00 0.00 ATOM 506 N GLU 64 59.557 21.051 -31.627 1.00 0.00 ATOM 507 CA GLU 64 60.201 21.792 -30.521 1.00 0.00 ATOM 508 CB GLU 64 61.466 22.547 -30.984 1.00 0.00 ATOM 509 CG GLU 64 61.265 23.642 -32.083 1.00 0.00 ATOM 510 CD GLU 64 61.480 23.124 -33.488 1.00 0.00 ATOM 511 OE1 GLU 64 61.974 23.899 -34.344 1.00 0.00 ATOM 512 OE2 GLU 64 61.154 21.938 -33.732 1.00 0.00 ATOM 513 O GLU 64 59.455 22.910 -28.560 1.00 0.00 ATOM 514 C GLU 64 59.274 22.722 -29.753 1.00 0.00 ATOM 515 N ASP 65 58.266 23.267 -30.428 1.00 0.00 ATOM 516 CA ASP 65 57.353 24.218 -29.782 1.00 0.00 ATOM 517 CB ASP 65 56.872 25.270 -30.780 1.00 0.00 ATOM 518 CG ASP 65 58.007 26.013 -31.447 1.00 0.00 ATOM 519 OD1 ASP 65 58.979 26.397 -30.761 1.00 0.00 ATOM 520 OD2 ASP 65 57.918 26.205 -32.675 1.00 0.00 ATOM 521 O ASP 65 55.271 24.291 -28.625 1.00 0.00 ATOM 522 C ASP 65 56.133 23.582 -29.138 1.00 0.00 ATOM 523 N GLU 66 56.053 22.260 -29.173 1.00 0.00 ATOM 524 CA GLU 66 54.963 21.520 -28.511 1.00 0.00 ATOM 525 CB GLU 66 54.967 20.091 -29.038 1.00 0.00 ATOM 526 CG GLU 66 53.799 19.192 -28.729 1.00 0.00 ATOM 527 CD GLU 66 54.034 17.779 -29.273 1.00 0.00 ATOM 528 OE1 GLU 66 54.813 17.613 -30.234 1.00 0.00 ATOM 529 OE2 GLU 66 53.433 16.829 -28.731 1.00 0.00 ATOM 530 O GLU 66 56.392 21.349 -26.593 1.00 0.00 ATOM 531 C GLU 66 55.244 21.520 -27.019 1.00 0.00 ATOM 532 N ARG 67 54.206 21.725 -26.218 1.00 0.00 ATOM 533 CA ARG 67 54.381 21.687 -24.774 1.00 0.00 ATOM 534 CB ARG 67 54.297 23.079 -24.160 1.00 0.00 ATOM 535 CG ARG 67 55.379 24.035 -24.672 1.00 0.00 ATOM 536 CD ARG 67 55.316 25.388 -23.936 1.00 0.00 ATOM 537 NE ARG 67 53.990 26.006 -24.051 1.00 0.00 ATOM 538 CZ ARG 67 53.544 26.674 -25.113 1.00 0.00 ATOM 539 NH1 ARG 67 54.317 26.867 -26.179 1.00 0.00 ATOM 540 NH2 ARG 67 52.311 27.151 -25.115 1.00 0.00 ATOM 541 O ARG 67 52.192 20.761 -24.639 1.00 0.00 ATOM 542 C ARG 67 53.327 20.813 -24.157 1.00 0.00 ATOM 543 N PHE 68 53.720 20.114 -23.102 1.00 0.00 ATOM 544 CA PHE 68 52.764 19.384 -22.277 1.00 0.00 ATOM 545 CB PHE 68 52.733 17.888 -22.640 1.00 0.00 ATOM 546 CG PHE 68 51.687 17.093 -21.896 1.00 0.00 ATOM 547 CD1 PHE 68 50.486 16.759 -22.517 1.00 0.00 ATOM 548 CD2 PHE 68 51.893 16.673 -20.576 1.00 0.00 ATOM 549 CE1 PHE 68 49.512 16.021 -21.855 1.00 0.00 ATOM 550 CE2 PHE 68 50.921 15.936 -19.907 1.00 0.00 ATOM 551 CZ PHE 68 49.723 15.611 -20.554 1.00 0.00 ATOM 552 O PHE 68 54.241 19.041 -20.425 1.00 0.00 ATOM 553 C PHE 68 53.217 19.590 -20.842 1.00 0.00 ATOM 554 N PHE 69 52.457 20.382 -20.090 1.00 0.00 ATOM 555 CA PHE 69 52.852 20.748 -18.730 1.00 0.00 ATOM 556 CB PHE 69 53.545 22.106 -18.746 1.00 0.00 ATOM 557 CG PHE 69 53.828 22.667 -17.371 1.00 0.00 ATOM 558 CD1 PHE 69 54.929 22.229 -16.655 1.00 0.00 ATOM 559 CD2 PHE 69 52.979 23.612 -16.798 1.00 0.00 ATOM 560 CE1 PHE 69 55.211 22.743 -15.374 1.00 0.00 ATOM 561 CE2 PHE 69 53.264 24.130 -15.493 1.00 0.00 ATOM 562 CZ PHE 69 54.381 23.686 -14.811 1.00 0.00 ATOM 563 O PHE 69 50.638 21.494 -18.247 1.00 0.00 ATOM 564 C PHE 69 51.613 20.833 -17.872 1.00 0.00 ATOM 565 N ILE 70 51.644 20.134 -16.742 1.00 0.00 ATOM 566 CA ILE 70 50.561 20.215 -15.763 1.00 0.00 ATOM 567 CB ILE 70 49.733 18.914 -15.690 1.00 0.00 ATOM 568 CG1 ILE 70 49.281 18.505 -17.091 1.00 0.00 ATOM 569 CG2 ILE 70 48.561 19.083 -14.710 1.00 0.00 ATOM 570 CD1 ILE 70 48.660 17.128 -17.167 1.00 0.00 ATOM 571 O ILE 70 52.163 19.810 -14.023 1.00 0.00 ATOM 572 C ILE 70 51.185 20.478 -14.402 1.00 0.00 ATOM 573 N LEU 71 50.645 21.455 -13.680 1.00 0.00 ATOM 574 CA LEU 71 51.118 21.782 -12.332 1.00 0.00 ATOM 575 CB LEU 71 51.595 23.231 -12.319 1.00 0.00 ATOM 576 CG LEU 71 52.005 23.834 -10.988 1.00 0.00 ATOM 577 CD1 LEU 71 53.131 23.071 -10.358 1.00 0.00 ATOM 578 CD2 LEU 71 52.413 25.291 -11.218 1.00 0.00 ATOM 579 O LEU 71 48.877 22.214 -11.567 1.00 0.00 ATOM 580 C LEU 71 49.938 21.605 -11.373 1.00 0.00 ATOM 581 N ILE 72 50.120 20.755 -10.363 1.00 0.00 ATOM 582 CA ILE 72 49.114 20.533 -9.322 1.00 0.00 ATOM 583 CB ILE 72 48.845 19.029 -9.132 1.00 0.00 ATOM 584 CG1 ILE 72 48.397 18.400 -10.466 1.00 0.00 ATOM 585 CG2 ILE 72 47.795 18.781 -8.043 1.00 0.00 ATOM 586 CD1 ILE 72 48.349 16.876 -10.415 1.00 0.00 ATOM 587 O ILE 72 50.773 20.676 -7.601 1.00 0.00 ATOM 588 C ILE 72 49.686 21.087 -8.011 1.00 0.00 ATOM 589 N VAL 73 48.985 22.024 -7.375 1.00 0.00 ATOM 590 CA VAL 73 49.485 22.648 -6.135 1.00 0.00 ATOM 591 CB VAL 73 50.087 24.060 -6.396 1.00 0.00 ATOM 592 CG1 VAL 73 49.080 25.019 -6.964 1.00 0.00 ATOM 593 CG2 VAL 73 50.741 24.641 -5.150 1.00 0.00 ATOM 594 O VAL 73 47.276 23.104 -5.380 1.00 0.00 ATOM 595 C VAL 73 48.390 22.715 -5.082 1.00 0.00 ATOM 596 N PRO 74 48.702 22.303 -3.845 1.00 0.00 ATOM 597 CA PRO 74 47.707 22.457 -2.792 1.00 0.00 ATOM 598 CB PRO 74 48.304 21.679 -1.617 1.00 0.00 ATOM 599 CG PRO 74 49.756 21.626 -1.883 1.00 0.00 ATOM 600 CD PRO 74 49.962 21.707 -3.371 1.00 0.00 ATOM 601 O PRO 74 48.508 24.662 -2.351 1.00 0.00 ATOM 602 C PRO 74 47.529 23.919 -2.429 1.00 0.00 ATOM 603 N ILE 75 46.281 24.323 -2.225 1.00 0.00 ATOM 604 CA ILE 75 45.980 25.681 -1.777 1.00 0.00 ATOM 605 CB ILE 75 45.535 26.589 -2.932 1.00 0.00 ATOM 606 CG1 ILE 75 44.313 26.002 -3.641 1.00 0.00 ATOM 607 CG2 ILE 75 46.699 26.834 -3.897 1.00 0.00 ATOM 608 CD1 ILE 75 43.503 27.042 -4.387 1.00 0.00 ATOM 609 O ILE 75 44.300 24.523 -0.516 1.00 0.00 ATOM 610 C ILE 75 44.873 25.591 -0.730 1.00 0.00 ATOM 611 N THR 76 44.579 26.692 -0.063 1.00 0.00 ATOM 612 CA THR 76 43.432 26.710 0.846 1.00 0.00 ATOM 613 CB THR 76 43.791 27.352 2.188 1.00 0.00 ATOM 614 CG2 THR 76 44.966 26.618 2.887 1.00 0.00 ATOM 615 OG1 THR 76 44.133 28.721 1.970 1.00 0.00 ATOM 616 O THR 76 42.510 28.319 -0.682 1.00 0.00 ATOM 617 C THR 76 42.295 27.513 0.234 1.00 0.00 ATOM 618 N GLU 77 41.085 27.304 0.741 1.00 0.00 ATOM 619 CA GLU 77 39.953 28.095 0.294 1.00 0.00 ATOM 620 CB GLU 77 38.651 27.665 0.987 1.00 0.00 ATOM 621 CG GLU 77 38.172 26.269 0.593 1.00 0.00 ATOM 622 CD GLU 77 37.505 26.187 -0.789 1.00 0.00 ATOM 623 OE1 GLU 77 37.370 27.221 -1.475 1.00 0.00 ATOM 624 OE2 GLU 77 37.103 25.070 -1.192 1.00 0.00 ATOM 625 O GLU 77 39.825 30.384 -0.355 1.00 0.00 ATOM 626 C GLU 77 40.208 29.587 0.488 1.00 0.00 ATOM 627 N ASN 78 40.828 29.983 1.603 1.00 0.00 ATOM 628 CA ASN 78 41.118 31.407 1.762 1.00 0.00 ATOM 629 CB ASN 78 41.641 31.763 3.143 1.00 0.00 ATOM 630 CG ASN 78 41.943 33.257 3.265 1.00 0.00 ATOM 631 ND2 ASN 78 43.198 33.579 3.565 1.00 0.00 ATOM 632 OD1 ASN 78 41.061 34.114 3.063 1.00 0.00 ATOM 633 O ASN 78 41.874 33.024 0.167 1.00 0.00 ATOM 634 C ASN 78 42.082 31.932 0.716 1.00 0.00 ATOM 635 N GLN 79 43.141 31.176 0.436 1.00 0.00 ATOM 636 CA GLN 79 44.056 31.619 -0.606 1.00 0.00 ATOM 637 CB GLN 79 45.224 30.661 -0.757 1.00 0.00 ATOM 638 CG GLN 79 46.206 30.745 0.397 1.00 0.00 ATOM 639 CD GLN 79 47.174 29.603 0.413 1.00 0.00 ATOM 640 OE1 GLN 79 46.865 28.529 -0.079 1.00 0.00 ATOM 641 NE2 GLN 79 48.365 29.831 0.951 1.00 0.00 ATOM 642 O GLN 79 43.565 32.745 -2.651 1.00 0.00 ATOM 643 C GLN 79 43.333 31.776 -1.926 1.00 0.00 ATOM 644 N PHE 80 42.446 30.838 -2.247 1.00 0.00 ATOM 645 CA PHE 80 41.707 30.976 -3.492 1.00 0.00 ATOM 646 CB PHE 80 40.875 29.735 -3.803 1.00 0.00 ATOM 647 CG PHE 80 40.285 29.756 -5.175 1.00 0.00 ATOM 648 CD1 PHE 80 41.097 29.535 -6.285 1.00 0.00 ATOM 649 CD2 PHE 80 38.934 30.009 -5.360 1.00 0.00 ATOM 650 CE1 PHE 80 40.568 29.561 -7.562 1.00 0.00 ATOM 651 CE2 PHE 80 38.388 30.035 -6.646 1.00 0.00 ATOM 652 CZ PHE 80 39.210 29.810 -7.745 1.00 0.00 ATOM 653 O PHE 80 40.721 32.925 -4.480 1.00 0.00 ATOM 654 C PHE 80 40.823 32.225 -3.471 1.00 0.00 ATOM 655 N ARG 81 40.187 32.523 -2.336 1.00 0.00 ATOM 656 CA ARG 81 39.382 33.738 -2.246 1.00 0.00 ATOM 657 CB ARG 81 38.628 33.783 -0.897 1.00 0.00 ATOM 658 CG ARG 81 37.381 32.897 -0.863 1.00 0.00 ATOM 659 CD ARG 81 36.495 33.144 0.376 1.00 0.00 ATOM 660 NE ARG 81 37.190 32.773 1.603 1.00 0.00 ATOM 661 CZ ARG 81 37.120 31.579 2.189 1.00 0.00 ATOM 662 NH1 ARG 81 37.791 31.357 3.313 1.00 0.00 ATOM 663 NH2 ARG 81 36.383 30.608 1.662 1.00 0.00 ATOM 664 O ARG 81 39.651 36.039 -2.842 1.00 0.00 ATOM 665 C ARG 81 40.203 35.011 -2.457 1.00 0.00 ATOM 666 N GLU 82 41.507 34.924 -2.189 1.00 0.00 ATOM 667 CA GLU 82 42.444 36.044 -2.339 1.00 0.00 ATOM 668 CB GLU 82 43.579 35.914 -1.311 1.00 0.00 ATOM 669 CG GLU 82 43.148 36.095 0.140 1.00 0.00 ATOM 670 CD GLU 82 44.203 35.646 1.143 1.00 0.00 ATOM 671 OE1 GLU 82 45.035 34.766 0.834 1.00 0.00 ATOM 672 OE2 GLU 82 44.189 36.159 2.276 1.00 0.00 ATOM 673 O GLU 82 43.895 36.995 -3.990 1.00 0.00 ATOM 674 C GLU 82 43.046 36.142 -3.738 1.00 0.00 ATOM 675 N ARG 83 42.606 35.284 -4.648 1.00 0.00 ATOM 676 CA ARG 83 43.165 35.272 -5.993 1.00 0.00 ATOM 677 CB ARG 83 42.600 34.096 -6.773 1.00 0.00 ATOM 678 CG ARG 83 41.191 34.321 -7.277 1.00 0.00 ATOM 679 CD ARG 83 40.581 33.020 -7.720 1.00 0.00 ATOM 680 NE ARG 83 39.186 33.169 -8.147 1.00 0.00 ATOM 681 CZ ARG 83 38.147 33.292 -7.322 1.00 0.00 ATOM 682 NH1 ARG 83 36.921 33.408 -7.820 1.00 0.00 ATOM 683 NH2 ARG 83 38.329 33.309 -6.003 1.00 0.00 ATOM 684 O ARG 83 41.869 37.245 -6.424 1.00 0.00 ATOM 685 C ARG 83 42.839 36.561 -6.732 1.00 0.00 ATOM 686 N ILE 84 43.675 36.876 -7.711 1.00 0.00 ATOM 687 CA ILE 84 43.411 37.977 -8.616 1.00 0.00 ATOM 688 CB ILE 84 44.546 39.038 -8.547 1.00 0.00 ATOM 689 CG1 ILE 84 44.659 39.626 -7.133 1.00 0.00 ATOM 690 CG2 ILE 84 44.345 40.143 -9.608 1.00 0.00 ATOM 691 CD1 ILE 84 46.000 40.318 -6.871 1.00 0.00 ATOM 692 O ILE 84 44.240 36.641 -10.412 1.00 0.00 ATOM 693 C ILE 84 43.340 37.366 -10.010 1.00 0.00 ATOM 694 N VAL 85 42.269 37.670 -10.730 1.00 0.00 ATOM 695 CA VAL 85 42.103 37.218 -12.100 1.00 0.00 ATOM 696 CB VAL 85 40.805 36.417 -12.277 1.00 0.00 ATOM 697 CG1 VAL 85 40.556 36.141 -13.745 1.00 0.00 ATOM 698 CG2 VAL 85 40.865 35.107 -11.496 1.00 0.00 ATOM 699 O VAL 85 41.358 39.413 -12.751 1.00 0.00 ATOM 700 C VAL 85 42.092 38.446 -13.001 1.00 0.00 ATOM 701 N ILE 86 42.949 38.402 -14.017 1.00 0.00 ATOM 702 CA ILE 86 43.060 39.475 -15.005 1.00 0.00 ATOM 703 CB ILE 86 44.453 40.122 -14.949 1.00 0.00 ATOM 704 CG1 ILE 86 44.642 40.679 -13.533 1.00 0.00 ATOM 705 CG2 ILE 86 44.612 41.221 -16.020 1.00 0.00 ATOM 706 CD1 ILE 86 46.012 41.122 -13.211 1.00 0.00 ATOM 707 O ILE 86 43.176 37.865 -16.765 1.00 0.00 ATOM 708 C ILE 86 42.732 38.944 -16.384 1.00 0.00 ATOM 709 N GLY 87 41.925 39.710 -17.101 1.00 0.00 ATOM 710 CA GLY 87 41.505 39.337 -18.440 1.00 0.00 ATOM 711 O GLY 87 42.135 41.594 -18.932 1.00 0.00 ATOM 712 C GLY 87 41.560 40.563 -19.323 1.00 0.00 ATOM 713 N TYR 88 40.971 40.459 -20.511 1.00 0.00 ATOM 714 CA TYR 88 40.837 41.607 -21.398 1.00 0.00 ATOM 715 CB TYR 88 40.231 41.173 -22.740 1.00 0.00 ATOM 716 CG TYR 88 41.200 40.572 -23.752 1.00 0.00 ATOM 717 CD1 TYR 88 42.294 41.301 -24.218 1.00 0.00 ATOM 718 CD2 TYR 88 41.001 39.288 -24.272 1.00 0.00 ATOM 719 CE1 TYR 88 43.172 40.769 -25.156 1.00 0.00 ATOM 720 CE2 TYR 88 41.880 38.745 -25.225 1.00 0.00 ATOM 721 CZ TYR 88 42.959 39.501 -25.659 1.00 0.00 ATOM 722 OH TYR 88 43.851 39.006 -26.582 1.00 0.00 ATOM 723 O TYR 88 38.929 42.266 -20.086 1.00 0.00 ATOM 724 C TYR 88 39.935 42.634 -20.709 1.00 0.00 ATOM 725 N SER 89 40.304 43.912 -20.805 1.00 0.00 ATOM 726 CA SER 89 39.540 45.001 -20.174 1.00 0.00 ATOM 727 CB SER 89 40.033 45.218 -18.741 1.00 0.00 ATOM 728 OG SER 89 41.285 45.894 -18.738 1.00 0.00 ATOM 729 O SER 89 40.125 46.369 -22.070 1.00 0.00 ATOM 730 C SER 89 39.639 46.317 -20.941 1.00 0.00 ENDMDL # command:# Prefix for output files set to decoys/ # command:# request to SCWRL produces command: ulimit -t 91 ; scwrl -i /var/tmp/to_scwrl_1560341810.pdb -s /var/tmp/to_scwrl_1560341810.seq -o /var/tmp/from_scwrl_1560341810.pdb > /var/tmp/scwrl_1560341810.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1560341810.pdb # conformation set from SCWRL output # command:# naming current conformation model1-scwrl # command:Error: can't open file model2.ts-submitted in ReadConformPDB # command:# fraction of real conformation used = 0.977 # GDT_score = -97.727 # GDT_score(maxd=8.000,maxw=2.900)= -97.727 # GDT_score(maxd=8.000,maxw=3.200)= -97.727 # GDT_score(maxd=8.000,maxw=3.500)= -97.727 # GDT_score(maxd=10.000,maxw=3.800)= -97.727 # GDT_score(maxd=10.000,maxw=4.000)= -97.727 # GDT_score(maxd=10.000,maxw=4.200)= -97.727 # GDT_score(maxd=12.000,maxw=4.300)= -97.727 # GDT_score(maxd=12.000,maxw=4.500)= -97.727 # GDT_score(maxd=12.000,maxw=4.700)= -97.727 # GDT_score(maxd=14.000,maxw=5.200)= -97.727 # GDT_score(maxd=14.000,maxw=5.500)= -97.727 # command:# request to SCWRL produces command: ulimit -t 91 ; scwrl -i /var/tmp/to_scwrl_599523932.pdb -s /var/tmp/to_scwrl_599523932.seq -o /var/tmp/from_scwrl_599523932.pdb > /var/tmp/scwrl_599523932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_599523932.pdb # conformation set from SCWRL output # command:# naming current conformation model2-scwrl # command:Error: can't open file model3.ts-submitted in ReadConformPDB # command:# fraction of real conformation used = 0.977 # GDT_score = -97.727 # GDT_score(maxd=8.000,maxw=2.900)= -97.727 # GDT_score(maxd=8.000,maxw=3.200)= -97.727 # GDT_score(maxd=8.000,maxw=3.500)= -97.727 # GDT_score(maxd=10.000,maxw=3.800)= -97.727 # GDT_score(maxd=10.000,maxw=4.000)= -97.727 # GDT_score(maxd=10.000,maxw=4.200)= -97.727 # GDT_score(maxd=12.000,maxw=4.300)= -97.727 # GDT_score(maxd=12.000,maxw=4.500)= -97.727 # GDT_score(maxd=12.000,maxw=4.700)= -97.727 # GDT_score(maxd=14.000,maxw=5.200)= -97.727 # GDT_score(maxd=14.000,maxw=5.500)= -97.727 # command:# request to SCWRL produces command: ulimit -t 91 ; scwrl -i /var/tmp/to_scwrl_2002670368.pdb -s /var/tmp/to_scwrl_2002670368.seq -o /var/tmp/from_scwrl_2002670368.pdb > /var/tmp/scwrl_2002670368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2002670368.pdb # conformation set from SCWRL output # command:# naming current conformation model3-scwrl # command:Error: can't open file model4.ts-submitted in ReadConformPDB # command:# fraction of real conformation used = 0.977 # GDT_score = -97.727 # GDT_score(maxd=8.000,maxw=2.900)= -97.727 # GDT_score(maxd=8.000,maxw=3.200)= -97.727 # GDT_score(maxd=8.000,maxw=3.500)= -97.727 # GDT_score(maxd=10.000,maxw=3.800)= -97.727 # GDT_score(maxd=10.000,maxw=4.000)= -97.727 # GDT_score(maxd=10.000,maxw=4.200)= -97.727 # GDT_score(maxd=12.000,maxw=4.300)= -97.727 # GDT_score(maxd=12.000,maxw=4.500)= -97.727 # GDT_score(maxd=12.000,maxw=4.700)= -97.727 # GDT_score(maxd=14.000,maxw=5.200)= -97.727 # GDT_score(maxd=14.000,maxw=5.500)= -97.727 # command:# request to SCWRL produces command: ulimit -t 91 ; scwrl -i /var/tmp/to_scwrl_1523488435.pdb -s /var/tmp/to_scwrl_1523488435.seq -o /var/tmp/from_scwrl_1523488435.pdb > /var/tmp/scwrl_1523488435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1523488435.pdb # conformation set from SCWRL output # command:# naming current conformation model4-scwrl # command:Error: can't open file model5.ts-submitted in ReadConformPDB # command:# fraction of real conformation used = 0.977 # GDT_score = -97.727 # GDT_score(maxd=8.000,maxw=2.900)= -97.727 # GDT_score(maxd=8.000,maxw=3.200)= -97.727 # GDT_score(maxd=8.000,maxw=3.500)= -97.727 # GDT_score(maxd=10.000,maxw=3.800)= -97.727 # GDT_score(maxd=10.000,maxw=4.000)= -97.727 # GDT_score(maxd=10.000,maxw=4.200)= -97.727 # GDT_score(maxd=12.000,maxw=4.300)= -97.727 # GDT_score(maxd=12.000,maxw=4.500)= -97.727 # GDT_score(maxd=12.000,maxw=4.700)= -97.727 # GDT_score(maxd=14.000,maxw=5.200)= -97.727 # GDT_score(maxd=14.000,maxw=5.500)= -97.727 # command:# request to SCWRL produces command: ulimit -t 91 ; scwrl -i /var/tmp/to_scwrl_1129602881.pdb -s /var/tmp/to_scwrl_1129602881.seq -o /var/tmp/from_scwrl_1129602881.pdb > /var/tmp/scwrl_1129602881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1129602881.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 T0377.try1-opt2.pdb looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # command:# fraction of real conformation used = 1.000 # GDT_score = -93.466 # GDT_score(maxd=8.000,maxw=2.900)= -93.506 # GDT_score(maxd=8.000,maxw=3.200)= -93.290 # GDT_score(maxd=8.000,maxw=3.500)= -92.999 # GDT_score(maxd=10.000,maxw=3.800)= -93.393 # GDT_score(maxd=10.000,maxw=4.000)= -93.158 # GDT_score(maxd=10.000,maxw=4.200)= -92.943 # GDT_score(maxd=12.000,maxw=4.300)= -93.399 # GDT_score(maxd=12.000,maxw=4.500)= -93.187 # GDT_score(maxd=12.000,maxw=4.700)= -92.983 # GDT_score(maxd=14.000,maxw=5.200)= -92.858 # GDT_score(maxd=14.000,maxw=5.500)= -92.306 # command:# Prefix for output files set to # command:EXPDTA T0377.try1-opt2.pdb MODEL 1 REMARK 44 REMARK 44 model 1 is called T0377.try1-opt2.pdb ATOM 1 N MET A 1 45.307 13.318 3.635 1.00 0.00 ATOM 2 CA MET A 1 44.100 14.048 4.018 1.00 0.00 ATOM 3 CB MET A 1 44.306 14.999 5.184 1.00 0.00 ATOM 4 CG MET A 1 44.551 14.335 6.516 1.00 0.00 ATOM 5 SD MET A 1 44.890 15.484 7.842 1.00 0.00 ATOM 6 CE MET A 1 46.500 16.092 7.354 1.00 0.00 ATOM 7 O MET A 1 44.249 15.393 2.043 1.00 0.00 ATOM 8 C MET A 1 43.511 14.816 2.836 1.00 0.00 ATOM 9 N ALA A 2 42.203 14.845 2.688 1.00 0.00 ATOM 10 CA ALA A 2 41.585 15.558 1.576 1.00 0.00 ATOM 11 CB ALA A 2 40.074 15.408 1.599 1.00 0.00 ATOM 12 O ALA A 2 41.846 17.645 2.733 1.00 0.00 ATOM 13 C ALA A 2 42.006 17.022 1.683 1.00 0.00 ATOM 14 N MET A 3 42.602 17.547 0.619 1.00 0.00 ATOM 15 CA MET A 3 43.042 18.935 0.601 1.00 0.00 ATOM 16 CB MET A 3 44.561 18.990 0.558 1.00 0.00 ATOM 17 CG MET A 3 45.201 18.563 1.842 1.00 0.00 ATOM 18 SD MET A 3 46.999 18.548 1.758 1.00 0.00 ATOM 19 CE MET A 3 47.264 16.987 1.004 1.00 0.00 ATOM 20 O MET A 3 42.441 18.992 -1.715 1.00 0.00 ATOM 21 C MET A 3 42.662 19.655 -0.690 1.00 0.00 ATOM 22 N LEU A 4 42.435 21.029 -0.767 1.00 0.00 ATOM 23 CA LEU A 4 42.093 21.664 -2.034 1.00 0.00 ATOM 24 CB LEU A 4 41.544 23.071 -1.795 1.00 0.00 ATOM 25 CG LEU A 4 40.244 23.166 -0.995 1.00 0.00 ATOM 26 CD1 LEU A 4 39.866 24.619 -0.752 1.00 0.00 ATOM 27 CD2 LEU A 4 39.101 22.496 -1.742 1.00 0.00 ATOM 28 O LEU A 4 44.428 22.086 -2.429 1.00 0.00 ATOM 29 C LEU A 4 43.335 21.778 -2.910 1.00 0.00 ATOM 30 N TYR A 5 43.159 21.464 -4.188 1.00 0.00 ATOM 31 CA TYR A 5 44.227 21.614 -5.164 1.00 0.00 ATOM 32 CB TYR A 5 44.598 20.249 -5.749 1.00 0.00 ATOM 33 CG TYR A 5 45.165 19.282 -4.734 1.00 0.00 ATOM 34 CD1 TYR A 5 44.332 18.419 -4.034 1.00 0.00 ATOM 35 CD2 TYR A 5 46.529 19.234 -4.482 1.00 0.00 ATOM 36 CE1 TYR A 5 44.841 17.531 -3.104 1.00 0.00 ATOM 37 CE2 TYR A 5 47.055 18.354 -3.556 1.00 0.00 ATOM 38 CZ TYR A 5 46.197 17.499 -2.866 1.00 0.00 ATOM 39 OH TYR A 5 46.707 16.615 -1.941 1.00 0.00 ATOM 40 O TYR A 5 42.655 22.524 -6.719 1.00 0.00 ATOM 41 C TYR A 5 43.813 22.519 -6.305 1.00 0.00 ATOM 42 N LEU A 6 44.805 23.233 -6.830 1.00 0.00 ATOM 43 CA LEU A 6 44.694 23.964 -8.083 1.00 0.00 ATOM 44 CB LEU A 6 45.311 25.362 -7.911 1.00 0.00 ATOM 45 CG LEU A 6 44.431 26.293 -7.101 1.00 0.00 ATOM 46 CD1 LEU A 6 44.991 27.724 -7.140 1.00 0.00 ATOM 47 CD2 LEU A 6 43.057 26.331 -7.776 1.00 0.00 ATOM 48 O LEU A 6 46.600 22.721 -8.856 1.00 0.00 ATOM 49 C LEU A 6 45.478 23.188 -9.129 1.00 0.00 ATOM 50 N ILE A 7 44.885 23.034 -10.315 1.00 0.00 ATOM 51 CA ILE A 7 45.536 22.335 -11.424 1.00 0.00 ATOM 52 CB ILE A 7 44.790 21.040 -11.793 1.00 0.00 ATOM 53 CG1 ILE A 7 44.757 20.084 -10.598 1.00 0.00 ATOM 54 CG2 ILE A 7 45.481 20.337 -12.953 1.00 0.00 ATOM 55 CD1 ILE A 7 43.891 18.862 -10.817 1.00 0.00 ATOM 56 O ILE A 7 44.513 23.587 -13.193 1.00 0.00 ATOM 57 C ILE A 7 45.558 23.242 -12.665 1.00 0.00 ATOM 58 N PHE A 8 46.731 23.575 -13.089 1.00 0.00 ATOM 59 CA PHE A 8 46.940 24.445 -14.257 1.00 0.00 ATOM 60 CB PHE A 8 47.750 25.686 -13.877 1.00 0.00 ATOM 61 CG PHE A 8 47.096 26.463 -12.769 1.00 0.00 ATOM 62 CD1 PHE A 8 45.986 27.274 -13.048 1.00 0.00 ATOM 63 CD2 PHE A 8 47.521 26.336 -11.455 1.00 0.00 ATOM 64 CE1 PHE A 8 45.364 27.982 -11.991 1.00 0.00 ATOM 65 CE2 PHE A 8 46.879 27.031 -10.435 1.00 0.00 ATOM 66 CZ PHE A 8 45.791 27.857 -10.740 1.00 0.00 ATOM 67 O PHE A 8 48.756 23.075 -14.983 1.00 0.00 ATOM 68 C PHE A 8 47.734 23.687 -15.305 1.00 0.00 ATOM 69 N TYR A 9 47.329 23.817 -16.548 1.00 0.00 ATOM 70 CA TYR A 9 48.067 23.111 -17.586 1.00 0.00 ATOM 71 CB TYR A 9 47.369 21.818 -18.013 1.00 0.00 ATOM 72 CG TYR A 9 46.037 22.038 -18.694 1.00 0.00 ATOM 73 CD1 TYR A 9 45.953 22.144 -20.077 1.00 0.00 ATOM 74 CD2 TYR A 9 44.867 22.139 -17.952 1.00 0.00 ATOM 75 CE1 TYR A 9 44.739 22.345 -20.708 1.00 0.00 ATOM 76 CE2 TYR A 9 43.645 22.341 -18.566 1.00 0.00 ATOM 77 CZ TYR A 9 43.589 22.443 -19.954 1.00 0.00 ATOM 78 OH TYR A 9 42.380 22.643 -20.581 1.00 0.00 ATOM 79 O TYR A 9 47.580 24.954 -19.038 1.00 0.00 ATOM 80 C TYR A 9 48.290 23.963 -18.817 1.00 0.00 ATOM 81 N ASP A 10 49.279 23.541 -19.607 1.00 0.00 ATOM 82 CA ASP A 10 49.668 24.198 -20.841 1.00 0.00 ATOM 83 CB ASP A 10 50.887 25.100 -20.630 1.00 0.00 ATOM 84 CG ASP A 10 51.275 25.857 -21.884 1.00 0.00 ATOM 85 OD1 ASP A 10 50.664 25.604 -22.944 1.00 0.00 ATOM 86 OD2 ASP A 10 52.191 26.702 -21.809 1.00 0.00 ATOM 87 O ASP A 10 51.025 22.402 -21.639 1.00 0.00 ATOM 88 C ASP A 10 49.979 23.046 -21.769 1.00 0.00 ATOM 89 N ILE A 11 49.045 22.758 -22.669 1.00 0.00 ATOM 90 CA ILE A 11 49.129 21.580 -23.525 1.00 0.00 ATOM 91 CB ILE A 11 48.142 20.480 -23.093 1.00 0.00 ATOM 92 CG1 ILE A 11 48.433 20.035 -21.658 1.00 0.00 ATOM 93 CG2 ILE A 11 48.260 19.269 -24.006 1.00 0.00 ATOM 94 CD1 ILE A 11 47.413 19.067 -21.100 1.00 0.00 ATOM 95 O ILE A 11 47.661 22.391 -25.194 1.00 0.00 ATOM 96 C ILE A 11 48.803 22.025 -24.924 1.00 0.00 ATOM 97 N THR A 12 49.794 22.021 -25.813 1.00 0.00 ATOM 98 CA THR A 12 49.559 22.589 -27.135 1.00 0.00 ATOM 99 CB THR A 12 50.883 22.913 -27.852 1.00 0.00 ATOM 100 CG2 THR A 12 51.696 23.913 -27.046 1.00 0.00 ATOM 101 OG1 THR A 12 51.650 21.711 -28.011 1.00 0.00 ATOM 102 O THR A 12 48.046 22.109 -28.942 1.00 0.00 ATOM 103 C THR A 12 48.768 21.649 -28.048 1.00 0.00 ATOM 104 N ASP A 13 48.901 20.342 -27.842 1.00 0.00 ATOM 105 CA ASP A 13 48.193 19.384 -28.692 1.00 0.00 ATOM 106 CB ASP A 13 48.778 17.981 -28.515 1.00 0.00 ATOM 107 CG ASP A 13 48.134 16.962 -29.433 1.00 0.00 ATOM 108 OD1 ASP A 13 47.181 17.328 -30.152 1.00 0.00 ATOM 109 OD2 ASP A 13 48.583 15.796 -29.432 1.00 0.00 ATOM 110 O ASP A 13 46.381 19.066 -27.163 1.00 0.00 ATOM 111 C ASP A 13 46.717 19.372 -28.308 1.00 0.00 ATOM 112 N ASP A 14 45.838 19.691 -29.261 1.00 0.00 ATOM 113 CA ASP A 14 44.394 19.779 -28.985 1.00 0.00 ATOM 114 CB ASP A 14 43.625 20.127 -30.261 1.00 0.00 ATOM 115 CG ASP A 14 43.816 21.571 -30.681 1.00 0.00 ATOM 116 OD1 ASP A 14 44.341 22.361 -29.869 1.00 0.00 ATOM 117 OD2 ASP A 14 43.438 21.912 -31.821 1.00 0.00 ATOM 118 O ASP A 14 43.018 18.487 -27.528 1.00 0.00 ATOM 119 C ASP A 14 43.824 18.472 -28.453 1.00 0.00 ATOM 120 N ASN A 15 44.249 17.348 -29.027 1.00 0.00 ATOM 121 CA ASN A 15 43.760 16.030 -28.610 1.00 0.00 ATOM 122 CB ASN A 15 44.359 14.932 -29.490 1.00 0.00 ATOM 123 CG ASN A 15 43.769 14.917 -30.886 1.00 0.00 ATOM 124 ND2 ASN A 15 44.479 14.294 -31.820 1.00 0.00 ATOM 125 OD1 ASN A 15 42.690 15.458 -31.120 1.00 0.00 ATOM 126 O ASN A 15 43.248 15.345 -26.351 1.00 0.00 ATOM 127 C ASN A 15 44.121 15.723 -27.154 1.00 0.00 ATOM 128 N LEU A 16 45.391 15.924 -26.809 1.00 0.00 ATOM 129 CA LEU A 16 45.846 15.641 -25.454 1.00 0.00 ATOM 130 CB LEU A 16 47.364 15.797 -25.357 1.00 0.00 ATOM 131 CG LEU A 16 48.201 14.760 -26.109 1.00 0.00 ATOM 132 CD1 LEU A 16 49.675 15.134 -26.077 1.00 0.00 ATOM 133 CD2 LEU A 16 48.047 13.384 -25.478 1.00 0.00 ATOM 134 O LEU A 16 44.773 16.201 -23.382 1.00 0.00 ATOM 135 C LEU A 16 45.174 16.604 -24.468 1.00 0.00 ATOM 136 N ARG A 17 45.065 17.856 -24.845 1.00 0.00 ATOM 137 CA ARG A 17 44.422 18.840 -23.978 1.00 0.00 ATOM 138 CB ARG A 17 44.487 20.251 -24.624 1.00 0.00 ATOM 139 CG ARG A 17 43.935 21.404 -23.780 1.00 0.00 ATOM 140 CD ARG A 17 43.582 22.562 -24.693 1.00 0.00 ATOM 141 NE ARG A 17 42.946 23.682 -24.005 1.00 0.00 ATOM 142 CZ ARG A 17 42.158 24.575 -24.599 1.00 0.00 ATOM 143 NH1 ARG A 17 41.900 24.490 -25.900 1.00 0.00 ATOM 144 NH2 ARG A 17 41.628 25.564 -23.892 1.00 0.00 ATOM 145 O ARG A 17 42.545 18.474 -22.534 1.00 0.00 ATOM 146 C ARG A 17 42.987 18.438 -23.680 1.00 0.00 ATOM 147 N ASN A 18 42.260 18.025 -24.720 1.00 0.00 ATOM 148 CA ASN A 18 40.891 17.584 -24.524 1.00 0.00 ATOM 149 CB ASN A 18 40.237 17.252 -25.866 1.00 0.00 ATOM 150 CG ASN A 18 39.922 18.490 -26.682 1.00 0.00 ATOM 151 ND2 ASN A 18 39.744 18.307 -27.986 1.00 0.00 ATOM 152 OD1 ASN A 18 39.840 19.595 -26.146 1.00 0.00 ATOM 153 O ASN A 18 39.932 16.274 -22.756 1.00 0.00 ATOM 154 C ASN A 18 40.807 16.350 -23.627 1.00 0.00 ATOM 155 N ARG A 19 41.741 15.416 -23.786 1.00 0.00 ATOM 156 CA ARG A 19 41.779 14.255 -22.900 1.00 0.00 ATOM 157 CB ARG A 19 42.940 13.314 -23.263 1.00 0.00 ATOM 158 CG ARG A 19 42.861 12.470 -24.512 1.00 0.00 ATOM 159 CD ARG A 19 43.953 11.395 -24.394 1.00 0.00 ATOM 160 NE ARG A 19 43.729 10.550 -23.214 1.00 0.00 ATOM 161 CZ ARG A 19 44.531 9.539 -22.856 1.00 0.00 ATOM 162 NH1 ARG A 19 45.625 9.219 -23.559 1.00 0.00 ATOM 163 NH2 ARG A 19 44.202 8.817 -21.782 1.00 0.00 ATOM 164 O ARG A 19 41.264 14.129 -20.558 1.00 0.00 ATOM 165 C ARG A 19 41.925 14.674 -21.445 1.00 0.00 ATOM 166 N VAL A 20 42.812 15.634 -21.200 1.00 0.00 ATOM 167 CA VAL A 20 43.045 16.123 -19.854 1.00 0.00 ATOM 168 CB VAL A 20 44.178 17.165 -19.797 1.00 0.00 ATOM 169 CG1 VAL A 20 44.248 17.799 -18.415 1.00 0.00 ATOM 170 CG2 VAL A 20 45.518 16.512 -20.096 1.00 0.00 ATOM 171 O VAL A 20 41.343 16.452 -18.198 1.00 0.00 ATOM 172 C VAL A 20 41.771 16.780 -19.314 1.00 0.00 ATOM 173 N ALA A 21 41.152 17.679 -20.098 1.00 0.00 ATOM 174 CA ALA A 21 39.954 18.373 -19.620 1.00 0.00 ATOM 175 CB ALA A 21 39.447 19.343 -20.677 1.00 0.00 ATOM 176 O ALA A 21 38.147 17.488 -18.304 1.00 0.00 ATOM 177 C ALA A 21 38.839 17.375 -19.315 1.00 0.00 ATOM 178 N GLU A 22 38.664 16.387 -20.189 1.00 0.00 ATOM 179 CA GLU A 22 37.643 15.372 -19.996 1.00 0.00 ATOM 180 CB GLU A 22 37.588 14.420 -21.193 1.00 0.00 ATOM 181 CG GLU A 22 37.035 15.048 -22.461 1.00 0.00 ATOM 182 CD GLU A 22 37.110 14.115 -23.655 1.00 0.00 ATOM 183 OE1 GLU A 22 37.663 13.005 -23.506 1.00 0.00 ATOM 184 OE2 GLU A 22 36.617 14.493 -24.737 1.00 0.00 ATOM 185 O GLU A 22 37.038 14.287 -17.944 1.00 0.00 ATOM 186 C GLU A 22 37.931 14.551 -18.741 1.00 0.00 ATOM 187 N PHE A 23 39.183 14.156 -18.559 1.00 0.00 ATOM 188 CA PHE A 23 39.555 13.382 -17.384 1.00 0.00 ATOM 189 CB PHE A 23 41.050 13.026 -17.471 1.00 0.00 ATOM 190 CG PHE A 23 41.561 12.189 -16.312 1.00 0.00 ATOM 191 CD1 PHE A 23 41.828 10.824 -16.481 1.00 0.00 ATOM 192 CD2 PHE A 23 41.811 12.774 -15.060 1.00 0.00 ATOM 193 CE1 PHE A 23 42.336 10.066 -15.421 1.00 0.00 ATOM 194 CE2 PHE A 23 42.320 12.022 -13.993 1.00 0.00 ATOM 195 CZ PHE A 23 42.584 10.669 -14.164 1.00 0.00 ATOM 196 O PHE A 23 38.670 13.599 -15.167 1.00 0.00 ATOM 197 C PHE A 23 39.286 14.137 -16.097 1.00 0.00 ATOM 198 N LEU A 24 39.725 15.388 -16.034 1.00 0.00 ATOM 199 CA LEU A 24 39.537 16.152 -14.810 1.00 0.00 ATOM 200 CB LEU A 24 40.370 17.416 -14.960 1.00 0.00 ATOM 201 CG LEU A 24 41.913 17.292 -15.001 1.00 0.00 ATOM 202 CD1 LEU A 24 42.532 18.653 -15.113 1.00 0.00 ATOM 203 CD2 LEU A 24 42.425 16.623 -13.714 1.00 0.00 ATOM 204 O LEU A 24 37.616 16.276 -13.365 1.00 0.00 ATOM 205 C LEU A 24 38.050 16.347 -14.516 1.00 0.00 ATOM 206 N LYS A 25 37.260 16.607 -15.558 1.00 0.00 ATOM 207 CA LYS A 25 35.825 16.793 -15.383 1.00 0.00 ATOM 208 CB LYS A 25 35.075 17.195 -16.615 1.00 0.00 ATOM 209 CG LYS A 25 33.577 17.422 -16.421 1.00 0.00 ATOM 210 CD LYS A 25 33.207 18.533 -15.427 1.00 0.00 ATOM 211 CE LYS A 25 33.549 19.923 -15.935 1.00 0.00 ATOM 212 NZ LYS A 25 32.925 20.975 -15.014 1.00 0.00 ATOM 213 O LYS A 25 34.426 15.545 -13.880 1.00 0.00 ATOM 214 C LYS A 25 35.236 15.506 -14.809 1.00 0.00 ATOM 215 N LYS A 26 35.640 14.351 -15.361 1.00 0.00 ATOM 216 CA LYS A 26 35.140 13.067 -14.885 1.00 0.00 ATOM 217 CB LYS A 26 35.728 11.919 -15.710 1.00 0.00 ATOM 218 CG LYS A 26 35.216 11.857 -17.139 1.00 0.00 ATOM 219 CD LYS A 26 35.846 10.702 -17.902 1.00 0.00 ATOM 220 CE LYS A 26 35.337 10.642 -19.333 1.00 0.00 ATOM 221 NZ LYS A 26 35.968 9.533 -20.100 1.00 0.00 ATOM 222 O LYS A 26 34.775 12.116 -12.707 1.00 0.00 ATOM 223 C LYS A 26 35.500 12.818 -13.419 1.00 0.00 ATOM 224 N LYS A 27 36.612 13.401 -12.972 1.00 0.00 ATOM 225 CA LYS A 27 37.059 13.279 -11.581 1.00 0.00 ATOM 226 CB LYS A 27 38.636 13.050 -11.700 1.00 0.00 ATOM 227 CG LYS A 27 39.291 12.485 -10.460 1.00 0.00 ATOM 228 CD LYS A 27 38.692 11.134 -10.108 1.00 0.00 ATOM 229 CE LYS A 27 39.474 10.461 -9.005 1.00 0.00 ATOM 230 NZ LYS A 27 38.884 9.136 -8.672 1.00 0.00 ATOM 231 O LYS A 27 36.464 14.150 -9.423 1.00 0.00 ATOM 232 C LYS A 27 36.302 14.217 -10.651 1.00 0.00 ATOM 233 N GLY A 28 35.474 15.074 -11.225 1.00 0.00 ATOM 234 CA GLY A 28 34.618 15.945 -10.433 1.00 0.00 ATOM 235 O GLY A 28 34.703 17.994 -9.244 1.00 0.00 ATOM 236 C GLY A 28 35.250 17.270 -10.062 1.00 0.00 ATOM 237 N LEU A 29 36.380 17.610 -10.679 1.00 0.00 ATOM 238 CA LEU A 29 37.013 18.894 -10.395 1.00 0.00 ATOM 239 CB LEU A 29 38.443 18.918 -10.936 1.00 0.00 ATOM 240 CG LEU A 29 39.423 17.929 -10.302 1.00 0.00 ATOM 241 CD1 LEU A 29 40.767 17.975 -11.012 1.00 0.00 ATOM 242 CD2 LEU A 29 39.649 18.261 -8.834 1.00 0.00 ATOM 243 O LEU A 29 35.531 19.805 -12.041 1.00 0.00 ATOM 244 C LEU A 29 36.216 20.013 -11.040 1.00 0.00 ATOM 245 N ASP A 30 36.282 21.193 -10.433 1.00 0.00 ATOM 246 CA ASP A 30 35.586 22.378 -10.927 1.00 0.00 ATOM 247 CB ASP A 30 35.258 23.330 -9.776 1.00 0.00 ATOM 248 CG ASP A 30 34.239 22.752 -8.813 1.00 0.00 ATOM 249 OD1 ASP A 30 33.202 22.239 -9.282 1.00 0.00 ATOM 250 OD2 ASP A 30 34.481 22.809 -7.588 1.00 0.00 ATOM 251 O ASP A 30 37.722 22.983 -11.838 1.00 0.00 ATOM 252 C ASP A 30 36.500 22.977 -11.997 1.00 0.00 ATOM 253 N ARG A 31 35.891 23.444 -13.059 1.00 0.00 ATOM 254 CA ARG A 31 36.690 24.089 -14.104 1.00 0.00 ATOM 255 CB ARG A 31 36.161 23.736 -15.496 1.00 0.00 ATOM 256 CG ARG A 31 36.920 24.402 -16.635 1.00 0.00 ATOM 257 CD ARG A 31 36.347 24.005 -17.985 1.00 0.00 ATOM 258 NE ARG A 31 37.016 24.692 -19.086 1.00 0.00 ATOM 259 CZ ARG A 31 36.618 24.638 -20.353 1.00 0.00 ATOM 260 NH1 ARG A 31 37.290 25.297 -21.288 1.00 0.00 ATOM 261 NH2 ARG A 31 35.549 23.925 -20.683 1.00 0.00 ATOM 262 O ARG A 31 35.436 26.130 -13.914 1.00 0.00 ATOM 263 C ARG A 31 36.558 25.586 -13.919 1.00 0.00 ATOM 264 N ILE A 32 37.695 26.261 -13.767 1.00 0.00 ATOM 265 CA ILE A 32 37.610 27.712 -13.571 1.00 0.00 ATOM 266 CB ILE A 32 38.680 28.246 -12.623 1.00 0.00 ATOM 267 CG1 ILE A 32 38.436 27.708 -11.206 1.00 0.00 ATOM 268 CG2 ILE A 32 38.674 29.770 -12.641 1.00 0.00 ATOM 269 CD1 ILE A 32 37.091 28.080 -10.609 1.00 0.00 ATOM 270 O ILE A 32 37.127 29.277 -15.303 1.00 0.00 ATOM 271 C ILE A 32 37.881 28.401 -14.898 1.00 0.00 ATOM 272 N GLN A 33 38.773 27.958 -15.651 1.00 0.00 ATOM 273 CA GLN A 33 39.205 28.593 -16.898 1.00 0.00 ATOM 274 CB GLN A 33 40.604 29.255 -16.763 1.00 0.00 ATOM 275 CG GLN A 33 40.701 30.344 -15.710 1.00 0.00 ATOM 276 CD GLN A 33 40.151 31.669 -16.232 1.00 0.00 ATOM 277 OE1 GLN A 33 40.652 32.248 -17.208 1.00 0.00 ATOM 278 NE2 GLN A 33 39.100 32.138 -15.572 1.00 0.00 ATOM 279 O GLN A 33 39.493 26.307 -17.559 1.00 0.00 ATOM 280 C GLN A 33 39.370 27.471 -17.905 1.00 0.00 ATOM 281 N TYR A 34 39.767 27.906 -19.210 1.00 0.00 ATOM 282 CA TYR A 34 39.958 26.915 -20.254 1.00 0.00 ATOM 283 CB TYR A 34 41.005 27.703 -21.342 1.00 0.00 ATOM 284 CG TYR A 34 41.128 29.199 -21.197 1.00 0.00 ATOM 285 CD1 TYR A 34 40.041 30.015 -20.997 1.00 0.00 ATOM 286 CD2 TYR A 34 42.362 29.799 -21.285 1.00 0.00 ATOM 287 CE1 TYR A 34 40.146 31.401 -20.866 1.00 0.00 ATOM 288 CE2 TYR A 34 42.527 31.187 -21.146 1.00 0.00 ATOM 289 CZ TYR A 34 41.407 31.968 -20.966 1.00 0.00 ATOM 290 OH TYR A 34 41.485 33.340 -20.801 1.00 0.00 ATOM 291 O TYR A 34 40.745 24.663 -20.151 1.00 0.00 ATOM 292 C TYR A 34 40.952 25.831 -19.834 1.00 0.00 ATOM 293 N SER A 35 42.017 26.215 -19.125 1.00 0.00 ATOM 294 CA SER A 35 43.050 25.253 -18.729 1.00 0.00 ATOM 295 CB SER A 35 44.359 25.541 -19.468 1.00 0.00 ATOM 296 OG SER A 35 44.813 26.857 -19.207 1.00 0.00 ATOM 297 O SER A 35 44.510 25.032 -16.841 1.00 0.00 ATOM 298 C SER A 35 43.368 25.270 -17.234 1.00 0.00 ATOM 299 N VAL A 36 42.355 25.551 -16.406 1.00 0.00 ATOM 300 CA VAL A 36 42.541 25.549 -14.955 1.00 0.00 ATOM 301 CB VAL A 36 42.402 26.979 -14.437 1.00 0.00 ATOM 302 CG1 VAL A 36 42.554 26.961 -12.916 1.00 0.00 ATOM 303 CG2 VAL A 36 43.495 27.828 -15.074 1.00 0.00 ATOM 304 O VAL A 36 40.203 25.276 -14.524 1.00 0.00 ATOM 305 C VAL A 36 41.355 24.913 -14.253 1.00 0.00 ATOM 306 N PHE A 37 41.658 23.990 -13.338 1.00 0.00 ATOM 307 CA PHE A 37 40.663 23.304 -12.519 1.00 0.00 ATOM 308 CB PHE A 37 40.623 21.819 -12.882 1.00 0.00 ATOM 309 CG PHE A 37 40.263 21.554 -14.316 1.00 0.00 ATOM 310 CD1 PHE A 37 41.250 21.404 -15.276 1.00 0.00 ATOM 311 CD2 PHE A 37 38.940 21.456 -14.706 1.00 0.00 ATOM 312 CE1 PHE A 37 40.919 21.161 -16.595 1.00 0.00 ATOM 313 CE2 PHE A 37 38.608 21.213 -16.026 1.00 0.00 ATOM 314 CZ PHE A 37 39.593 21.066 -16.968 1.00 0.00 ATOM 315 O PHE A 37 42.163 23.776 -10.721 1.00 0.00 ATOM 316 C PHE A 37 41.022 23.448 -11.060 1.00 0.00 ATOM 317 N MET A 38 40.047 23.184 -10.195 1.00 0.00 ATOM 318 CA MET A 38 40.328 23.157 -8.769 1.00 0.00 ATOM 319 CB MET A 38 39.886 24.473 -8.122 1.00 0.00 ATOM 320 CG MET A 38 39.958 24.466 -6.602 1.00 0.00 ATOM 321 SD MET A 38 39.549 26.075 -5.896 1.00 0.00 ATOM 322 CE MET A 38 37.743 25.981 -5.890 1.00 0.00 ATOM 323 O MET A 38 38.270 21.960 -8.579 1.00 0.00 ATOM 324 C MET A 38 39.384 22.190 -8.103 1.00 0.00 ATOM 325 N GLY A 39 39.830 21.630 -6.993 1.00 0.00 ATOM 326 CA GLY A 39 38.914 20.831 -6.185 1.00 0.00 ATOM 327 O GLY A 39 40.848 20.116 -4.983 1.00 0.00 ATOM 328 C GLY A 39 39.621 20.111 -5.077 1.00 0.00 ATOM 329 N ASP A 40 38.833 19.490 -4.221 1.00 0.00 ATOM 330 CA ASP A 40 39.368 18.760 -3.079 1.00 0.00 ATOM 331 CB ASP A 40 38.247 18.435 -2.114 1.00 0.00 ATOM 332 CG ASP A 40 38.790 17.839 -0.836 1.00 0.00 ATOM 333 OD1 ASP A 40 39.811 17.125 -0.904 1.00 0.00 ATOM 334 OD2 ASP A 40 38.192 18.073 0.234 1.00 0.00 ATOM 335 O ASP A 40 38.909 16.738 -4.128 1.00 0.00 ATOM 336 C ASP A 40 39.778 17.349 -3.476 1.00 0.00 ATOM 337 N LEU A 41 40.970 16.930 -3.096 1.00 0.00 ATOM 338 CA LEU A 41 41.414 15.562 -3.347 1.00 0.00 ATOM 339 CB LEU A 41 42.420 15.582 -4.500 1.00 0.00 ATOM 340 CG LEU A 41 41.870 15.981 -5.871 1.00 0.00 ATOM 341 CD1 LEU A 41 43.001 16.157 -6.874 1.00 0.00 ATOM 342 CD2 LEU A 41 40.927 14.912 -6.404 1.00 0.00 ATOM 343 O LEU A 41 42.891 15.681 -1.504 1.00 0.00 ATOM 344 C LEU A 41 42.087 14.972 -2.118 1.00 0.00 ATOM 345 N ASN A 42 41.744 13.796 -1.779 1.00 0.00 ATOM 346 CA ASN A 42 42.376 13.125 -0.655 1.00 0.00 ATOM 347 CB ASN A 42 41.460 12.134 0.065 1.00 0.00 ATOM 348 CG ASN A 42 41.004 11.001 -0.834 1.00 0.00 ATOM 349 ND2 ASN A 42 40.071 10.195 -0.342 1.00 0.00 ATOM 350 OD1 ASN A 42 41.486 10.855 -1.957 1.00 0.00 ATOM 351 O ASN A 42 43.867 12.544 -2.448 1.00 0.00 ATOM 352 C ASN A 42 43.547 12.359 -1.281 1.00 0.00 ATOM 353 N SER A 43 44.191 11.497 -0.503 1.00 0.00 ATOM 354 CA SER A 43 45.371 10.800 -0.998 1.00 0.00 ATOM 355 CB SER A 43 45.993 9.942 0.105 1.00 0.00 ATOM 356 OG SER A 43 46.537 10.750 1.134 1.00 0.00 ATOM 357 O SER A 43 45.673 9.929 -3.201 1.00 0.00 ATOM 358 C SER A 43 45.016 9.883 -2.164 1.00 0.00 ATOM 359 N SER A 44 43.953 9.098 -2.014 1.00 0.00 ATOM 360 CA SER A 44 43.553 8.124 -3.028 1.00 0.00 ATOM 361 CB SER A 44 42.347 7.314 -2.547 1.00 0.00 ATOM 362 OG SER A 44 42.687 6.505 -1.436 1.00 0.00 ATOM 363 O SER A 44 43.692 8.490 -5.405 1.00 0.00 ATOM 364 C SER A 44 43.195 8.847 -4.323 1.00 0.00 ATOM 365 N ARG A 45 42.334 9.844 -4.213 1.00 0.00 ATOM 366 CA ARG A 45 41.944 10.588 -5.396 1.00 0.00 ATOM 367 CB ARG A 45 40.810 11.596 -5.094 1.00 0.00 ATOM 368 CG ARG A 45 39.599 11.126 -4.377 1.00 0.00 ATOM 369 CD ARG A 45 38.746 10.106 -5.170 1.00 0.00 ATOM 370 NE ARG A 45 37.607 9.825 -4.280 1.00 0.00 ATOM 371 CZ ARG A 45 36.432 10.417 -4.269 1.00 0.00 ATOM 372 NH1 ARG A 45 36.123 11.388 -5.125 1.00 0.00 ATOM 373 NH2 ARG A 45 35.573 9.978 -3.347 1.00 0.00 ATOM 374 O ARG A 45 43.242 11.415 -7.234 1.00 0.00 ATOM 375 C ARG A 45 43.125 11.332 -6.013 1.00 0.00 ATOM 376 N LEU A 46 44.053 11.854 -5.246 1.00 0.00 ATOM 377 CA LEU A 46 45.225 12.550 -5.775 1.00 0.00 ATOM 378 CB LEU A 46 46.117 13.103 -4.660 1.00 0.00 ATOM 379 CG LEU A 46 47.390 13.826 -5.108 1.00 0.00 ATOM 380 CD1 LEU A 46 47.047 15.043 -5.952 1.00 0.00 ATOM 381 CD2 LEU A 46 48.192 14.293 -3.903 1.00 0.00 ATOM 382 O LEU A 46 46.572 11.912 -7.653 1.00 0.00 ATOM 383 C LEU A 46 46.069 11.569 -6.589 1.00 0.00 ATOM 384 N LYS A 47 46.212 10.339 -6.088 1.00 0.00 ATOM 385 CA LYS A 47 46.987 9.341 -6.814 1.00 0.00 ATOM 386 CB LYS A 47 47.076 8.053 -5.992 1.00 0.00 ATOM 387 CG LYS A 47 47.957 8.164 -4.759 1.00 0.00 ATOM 388 CD LYS A 47 48.004 6.853 -3.993 1.00 0.00 ATOM 389 CE LYS A 47 48.865 6.971 -2.746 1.00 0.00 ATOM 390 NZ LYS A 47 48.891 5.702 -1.968 1.00 0.00 ATOM 391 O LYS A 47 47.028 8.867 -9.162 1.00 0.00 ATOM 392 C LYS A 47 46.336 9.018 -8.152 1.00 0.00 ATOM 393 N ASP A 48 45.012 8.879 -8.159 1.00 0.00 ATOM 394 CA ASP A 48 44.302 8.581 -9.389 1.00 0.00 ATOM 395 CB ASP A 48 42.811 8.379 -9.112 1.00 0.00 ATOM 396 CG ASP A 48 42.523 7.071 -8.401 1.00 0.00 ATOM 397 OD1 ASP A 48 43.430 6.215 -8.342 1.00 0.00 ATOM 398 OD2 ASP A 48 41.390 6.903 -7.902 1.00 0.00 ATOM 399 O ASP A 48 44.635 9.475 -11.597 1.00 0.00 ATOM 400 C ASP A 48 44.441 9.717 -10.409 1.00 0.00 ATOM 401 N VAL A 49 44.341 10.958 -9.944 1.00 0.00 ATOM 402 CA VAL A 49 44.490 12.108 -10.818 1.00 0.00 ATOM 403 CB VAL A 49 44.271 13.428 -10.054 1.00 0.00 ATOM 404 CG1 VAL A 49 44.631 14.616 -10.933 1.00 0.00 ATOM 405 CG2 VAL A 49 42.817 13.565 -9.633 1.00 0.00 ATOM 406 O VAL A 49 46.070 12.387 -12.593 1.00 0.00 ATOM 407 C VAL A 49 45.898 12.175 -11.394 1.00 0.00 ATOM 408 N GLU A 50 46.899 11.991 -10.545 1.00 0.00 ATOM 409 CA GLU A 50 48.281 12.031 -11.006 1.00 0.00 ATOM 410 CB GLU A 50 49.238 11.845 -9.828 1.00 0.00 ATOM 411 CG GLU A 50 50.708 11.914 -10.205 1.00 0.00 ATOM 412 CD GLU A 50 51.625 11.760 -9.007 1.00 0.00 ATOM 413 OE1 GLU A 50 51.109 11.610 -7.879 1.00 0.00 ATOM 414 OE2 GLU A 50 52.860 11.786 -9.196 1.00 0.00 ATOM 415 O GLU A 50 49.123 11.164 -13.091 1.00 0.00 ATOM 416 C GLU A 50 48.536 10.918 -12.022 1.00 0.00 ATOM 417 N ALA A 51 48.085 9.702 -11.713 1.00 0.00 ATOM 418 CA ALA A 51 48.306 8.586 -12.641 1.00 0.00 ATOM 419 CB ALA A 51 47.731 7.299 -12.068 1.00 0.00 ATOM 420 O ALA A 51 48.251 8.520 -15.034 1.00 0.00 ATOM 421 C ALA A 51 47.651 8.823 -13.998 1.00 0.00 ATOM 422 N GLY A 52 46.429 9.351 -13.990 1.00 0.00 ATOM 423 CA GLY A 52 45.704 9.607 -15.236 1.00 0.00 ATOM 424 O GLY A 52 46.465 10.590 -17.292 1.00 0.00 ATOM 425 C GLY A 52 46.370 10.697 -16.066 1.00 0.00 ATOM 426 N LEU A 53 46.846 11.734 -15.410 1.00 0.00 ATOM 427 CA LEU A 53 47.507 12.811 -16.144 1.00 0.00 ATOM 428 CB LEU A 53 47.798 13.988 -15.210 1.00 0.00 ATOM 429 CG LEU A 53 46.583 14.775 -14.714 1.00 0.00 ATOM 430 CD1 LEU A 53 46.996 15.794 -13.662 1.00 0.00 ATOM 431 CD2 LEU A 53 45.920 15.520 -15.863 1.00 0.00 ATOM 432 O LEU A 53 49.150 12.671 -17.879 1.00 0.00 ATOM 433 C LEU A 53 48.817 12.322 -16.750 1.00 0.00 ATOM 434 N LYS A 54 49.553 11.513 -15.999 1.00 0.00 ATOM 435 CA LYS A 54 50.813 10.964 -16.503 1.00 0.00 ATOM 436 CB LYS A 54 51.508 10.095 -15.452 1.00 0.00 ATOM 437 CG LYS A 54 52.092 10.879 -14.288 1.00 0.00 ATOM 438 CD LYS A 54 52.767 9.956 -13.286 1.00 0.00 ATOM 439 CE LYS A 54 53.331 10.737 -12.109 1.00 0.00 ATOM 440 NZ LYS A 54 53.967 9.843 -11.103 1.00 0.00 ATOM 441 O LYS A 54 51.335 10.159 -18.697 1.00 0.00 ATOM 442 C LYS A 54 50.558 10.102 -17.736 1.00 0.00 ATOM 443 N ILE A 55 49.477 9.321 -17.732 1.00 0.00 ATOM 444 CA ILE A 55 49.135 8.499 -18.902 1.00 0.00 ATOM 445 CB ILE A 55 47.952 7.567 -18.511 1.00 0.00 ATOM 446 CG1 ILE A 55 48.391 6.559 -17.453 1.00 0.00 ATOM 447 CG2 ILE A 55 47.422 6.850 -19.738 1.00 0.00 ATOM 448 CD1 ILE A 55 47.275 5.663 -16.907 1.00 0.00 ATOM 449 O ILE A 55 49.285 8.999 -21.226 1.00 0.00 ATOM 450 C ILE A 55 48.838 9.344 -20.142 1.00 0.00 ATOM 451 N ILE A 56 48.107 10.451 -19.964 1.00 0.00 ATOM 452 CA ILE A 56 47.859 11.364 -21.030 1.00 0.00 ATOM 453 CB ILE A 56 46.913 12.509 -20.525 1.00 0.00 ATOM 454 CG1 ILE A 56 45.534 11.932 -20.190 1.00 0.00 ATOM 455 CG2 ILE A 56 46.800 13.610 -21.574 1.00 0.00 ATOM 456 CD1 ILE A 56 44.582 12.929 -19.569 1.00 0.00 ATOM 457 O ILE A 56 49.292 12.092 -22.810 1.00 0.00 ATOM 458 C ILE A 56 49.158 11.938 -21.595 1.00 0.00 ATOM 459 N GLY A 57 50.134 12.174 -20.630 1.00 0.00 ATOM 460 CA GLY A 57 51.430 12.617 -21.137 1.00 0.00 ATOM 461 O GLY A 57 53.534 11.831 -21.984 1.00 0.00 ATOM 462 C GLY A 57 52.397 11.537 -21.593 1.00 0.00 ATOM 463 N ASN A 58 51.966 10.270 -21.555 1.00 0.00 ATOM 464 CA ASN A 58 52.778 9.155 -22.028 1.00 0.00 ATOM 465 CB ASN A 58 52.189 7.841 -21.511 1.00 0.00 ATOM 466 CG ASN A 58 53.142 6.673 -21.672 1.00 0.00 ATOM 467 ND2 ASN A 58 52.597 5.462 -21.659 1.00 0.00 ATOM 468 OD1 ASN A 58 54.350 6.859 -21.804 1.00 0.00 ATOM 469 O ASN A 58 52.483 8.114 -24.190 1.00 0.00 ATOM 470 C ASN A 58 52.975 9.036 -23.530 1.00 0.00 ATOM 471 N ARG A 59 53.674 10.028 -24.059 1.00 0.00 ATOM 472 CA ARG A 59 54.030 10.063 -25.464 1.00 0.00 ATOM 473 CB ARG A 59 52.887 10.653 -26.293 1.00 0.00 ATOM 474 CG ARG A 59 52.547 12.093 -25.945 1.00 0.00 ATOM 475 CD ARG A 59 51.436 12.626 -26.834 1.00 0.00 ATOM 476 NE ARG A 59 51.876 12.803 -28.216 1.00 0.00 ATOM 477 CZ ARG A 59 51.061 13.066 -29.231 1.00 0.00 ATOM 478 NH1 ARG A 59 51.552 13.210 -30.455 1.00 0.00 ATOM 479 NH2 ARG A 59 49.757 13.185 -29.022 1.00 0.00 ATOM 480 O ARG A 59 55.741 11.564 -24.704 1.00 0.00 ATOM 481 C ARG A 59 55.260 10.932 -25.653 1.00 0.00 ATOM 482 N LYS A 60 55.767 10.951 -26.877 1.00 0.00 ATOM 483 CA LYS A 60 56.929 11.760 -27.179 1.00 0.00 ATOM 484 CB LYS A 60 57.999 10.912 -27.865 1.00 0.00 ATOM 485 CG LYS A 60 58.656 9.910 -26.928 1.00 0.00 ATOM 486 CD LYS A 60 59.770 9.145 -27.618 1.00 0.00 ATOM 487 CE LYS A 60 60.526 8.273 -26.629 1.00 0.00 ATOM 488 NZ LYS A 60 59.634 7.279 -25.971 1.00 0.00 ATOM 489 O LYS A 60 55.514 13.105 -28.567 1.00 0.00 ATOM 490 C LYS A 60 56.474 13.064 -27.765 1.00 0.00 ATOM 491 N LYS A 61 57.212 14.131 -27.480 1.00 0.00 ATOM 492 CA LYS A 61 57.017 15.419 -28.135 1.00 0.00 ATOM 493 CB LYS A 61 57.886 16.458 -27.422 1.00 0.00 ATOM 494 CG LYS A 61 57.430 16.783 -26.009 1.00 0.00 ATOM 495 CD LYS A 61 58.318 17.842 -25.373 1.00 0.00 ATOM 496 CE LYS A 61 57.908 18.113 -23.934 1.00 0.00 ATOM 497 NZ LYS A 61 58.758 19.160 -23.304 1.00 0.00 ATOM 498 O LYS A 61 58.409 14.552 -29.888 1.00 0.00 ATOM 499 C LYS A 61 57.445 15.267 -29.599 1.00 0.00 ATOM 500 N LEU A 62 56.744 15.951 -30.510 1.00 0.00 ATOM 501 CA LEU A 62 57.026 15.842 -31.937 1.00 0.00 ATOM 502 CB LEU A 62 55.896 15.093 -32.646 1.00 0.00 ATOM 503 CG LEU A 62 55.705 13.641 -32.199 1.00 0.00 ATOM 504 CD1 LEU A 62 54.379 13.099 -32.709 1.00 0.00 ATOM 505 CD2 LEU A 62 56.870 12.804 -32.704 1.00 0.00 ATOM 506 O LEU A 62 58.187 17.254 -33.491 1.00 0.00 ATOM 507 C LEU A 62 57.267 17.158 -32.673 1.00 0.00 ATOM 508 N GLN A 63 56.476 18.176 -32.374 1.00 0.00 ATOM 509 CA GLN A 63 56.628 19.454 -33.060 1.00 0.00 ATOM 510 CB GLN A 63 55.272 20.164 -33.171 1.00 0.00 ATOM 511 CG GLN A 63 54.210 19.380 -33.950 1.00 0.00 ATOM 512 CD GLN A 63 54.686 18.955 -35.339 1.00 0.00 ATOM 513 OE1 GLN A 63 54.993 17.766 -35.571 1.00 0.00 ATOM 514 NE2 GLN A 63 54.782 19.924 -36.261 1.00 0.00 ATOM 515 O GLN A 63 57.725 20.424 -31.151 1.00 0.00 ATOM 516 C GLN A 63 57.544 20.460 -32.376 1.00 0.00 ATOM 517 N GLU A 64 58.152 21.318 -33.313 1.00 0.00 ATOM 518 CA GLU A 64 58.802 22.506 -32.788 1.00 0.00 ATOM 519 CB GLU A 64 59.507 23.306 -33.910 1.00 0.00 ATOM 520 CG GLU A 64 60.808 22.633 -34.363 1.00 0.00 ATOM 521 CD GLU A 64 60.502 21.523 -35.358 1.00 0.00 ATOM 522 OE1 GLU A 64 59.665 21.775 -36.259 1.00 0.00 ATOM 523 OE2 GLU A 64 61.055 20.407 -35.242 1.00 0.00 ATOM 524 O GLU A 64 56.614 23.427 -32.389 1.00 0.00 ATOM 525 C GLU A 64 57.760 23.255 -31.956 1.00 0.00 ATOM 526 N ASP A 65 58.131 23.615 -30.745 1.00 0.00 ATOM 527 CA ASP A 65 57.301 24.395 -29.810 1.00 0.00 ATOM 528 CB ASP A 65 56.734 25.714 -30.603 1.00 0.00 ATOM 529 CG ASP A 65 56.420 26.955 -29.787 1.00 0.00 ATOM 530 OD1 ASP A 65 57.346 27.502 -29.149 1.00 0.00 ATOM 531 OD2 ASP A 65 55.248 27.380 -29.774 1.00 0.00 ATOM 532 O ASP A 65 55.324 24.409 -28.481 1.00 0.00 ATOM 533 C ASP A 65 56.119 23.730 -29.125 1.00 0.00 ATOM 534 N GLU A 66 56.021 22.413 -29.236 1.00 0.00 ATOM 535 CA GLU A 66 54.968 21.643 -28.549 1.00 0.00 ATOM 536 CB GLU A 66 54.937 20.204 -29.071 1.00 0.00 ATOM 537 CG GLU A 66 53.809 19.361 -28.498 1.00 0.00 ATOM 538 CD GLU A 66 53.789 17.955 -29.063 1.00 0.00 ATOM 539 OE1 GLU A 66 54.685 17.625 -29.868 1.00 0.00 ATOM 540 OE2 GLU A 66 52.878 17.182 -28.700 1.00 0.00 ATOM 541 O GLU A 66 56.442 21.799 -26.620 1.00 0.00 ATOM 542 C GLU A 66 55.270 21.738 -27.056 1.00 0.00 ATOM 543 N ARG A 67 54.243 21.739 -26.270 1.00 0.00 ATOM 544 CA ARG A 67 54.382 21.784 -24.811 1.00 0.00 ATOM 545 CB ARG A 67 54.235 23.186 -24.215 1.00 0.00 ATOM 546 CG ARG A 67 55.327 24.156 -24.632 1.00 0.00 ATOM 547 CD ARG A 67 55.122 25.524 -24.002 1.00 0.00 ATOM 548 NE ARG A 67 56.136 26.483 -24.433 1.00 0.00 ATOM 549 CZ ARG A 67 56.141 27.768 -24.095 1.00 0.00 ATOM 550 NH1 ARG A 67 57.105 28.566 -24.534 1.00 0.00 ATOM 551 NH2 ARG A 67 55.180 28.253 -23.319 1.00 0.00 ATOM 552 O ARG A 67 52.211 20.816 -24.678 1.00 0.00 ATOM 553 C ARG A 67 53.346 20.887 -24.197 1.00 0.00 ATOM 554 N PHE A 68 53.754 20.192 -23.145 1.00 0.00 ATOM 555 CA PHE A 68 52.814 19.440 -22.323 1.00 0.00 ATOM 556 CB PHE A 68 52.848 17.955 -22.691 1.00 0.00 ATOM 557 CG PHE A 68 51.799 17.133 -21.997 1.00 0.00 ATOM 558 CD1 PHE A 68 50.499 17.104 -22.467 1.00 0.00 ATOM 559 CD2 PHE A 68 52.115 16.390 -20.873 1.00 0.00 ATOM 560 CE1 PHE A 68 49.534 16.347 -21.828 1.00 0.00 ATOM 561 CE2 PHE A 68 51.151 15.633 -20.235 1.00 0.00 ATOM 562 CZ PHE A 68 49.865 15.610 -20.707 1.00 0.00 ATOM 563 O PHE A 68 54.042 18.837 -20.359 1.00 0.00 ATOM 564 C PHE A 68 53.177 19.565 -20.853 1.00 0.00 ATOM 565 N PHE A 69 52.528 20.499 -20.162 1.00 0.00 ATOM 566 CA PHE A 69 52.872 20.792 -18.771 1.00 0.00 ATOM 567 CB PHE A 69 53.557 22.160 -18.761 1.00 0.00 ATOM 568 CG PHE A 69 54.006 22.604 -17.399 1.00 0.00 ATOM 569 CD1 PHE A 69 55.187 22.132 -16.855 1.00 0.00 ATOM 570 CD2 PHE A 69 53.244 23.493 -16.658 1.00 0.00 ATOM 571 CE1 PHE A 69 55.601 22.541 -15.601 1.00 0.00 ATOM 572 CE2 PHE A 69 53.657 23.901 -15.404 1.00 0.00 ATOM 573 CZ PHE A 69 54.830 23.429 -14.875 1.00 0.00 ATOM 574 O PHE A 69 50.624 21.443 -18.310 1.00 0.00 ATOM 575 C PHE A 69 51.628 20.840 -17.918 1.00 0.00 ATOM 576 N ILE A 70 51.680 20.151 -16.782 1.00 0.00 ATOM 577 CA ILE A 70 50.592 20.201 -15.807 1.00 0.00 ATOM 578 CB ILE A 70 49.809 18.877 -15.756 1.00 0.00 ATOM 579 CG1 ILE A 70 49.181 18.575 -17.119 1.00 0.00 ATOM 580 CG2 ILE A 70 48.699 18.952 -14.720 1.00 0.00 ATOM 581 CD1 ILE A 70 48.570 17.196 -17.219 1.00 0.00 ATOM 582 O ILE A 70 52.224 19.850 -14.082 1.00 0.00 ATOM 583 C ILE A 70 51.210 20.473 -14.444 1.00 0.00 ATOM 584 N LEU A 71 50.649 21.435 -13.719 1.00 0.00 ATOM 585 CA LEU A 71 51.115 21.768 -12.370 1.00 0.00 ATOM 586 CB LEU A 71 51.550 23.210 -12.269 1.00 0.00 ATOM 587 CG LEU A 71 51.904 23.697 -10.866 1.00 0.00 ATOM 588 CD1 LEU A 71 53.194 23.066 -10.366 1.00 0.00 ATOM 589 CD2 LEU A 71 52.053 25.223 -10.862 1.00 0.00 ATOM 590 O LEU A 71 48.892 22.210 -11.561 1.00 0.00 ATOM 591 C LEU A 71 49.948 21.585 -11.396 1.00 0.00 ATOM 592 N ILE A 72 50.130 20.700 -10.416 1.00 0.00 ATOM 593 CA ILE A 72 49.137 20.467 -9.365 1.00 0.00 ATOM 594 CB ILE A 72 48.851 18.962 -9.203 1.00 0.00 ATOM 595 CG1 ILE A 72 48.309 18.379 -10.510 1.00 0.00 ATOM 596 CG2 ILE A 72 47.820 18.731 -8.109 1.00 0.00 ATOM 597 CD1 ILE A 72 48.201 16.870 -10.506 1.00 0.00 ATOM 598 O ILE A 72 50.792 20.638 -7.642 1.00 0.00 ATOM 599 C ILE A 72 49.697 21.028 -8.052 1.00 0.00 ATOM 600 N VAL A 73 48.976 21.947 -7.412 1.00 0.00 ATOM 601 CA VAL A 73 49.463 22.577 -6.170 1.00 0.00 ATOM 602 CB VAL A 73 49.928 24.025 -6.416 1.00 0.00 ATOM 603 CG1 VAL A 73 50.393 24.662 -5.116 1.00 0.00 ATOM 604 CG2 VAL A 73 51.085 24.051 -7.404 1.00 0.00 ATOM 605 O VAL A 73 47.285 23.104 -5.393 1.00 0.00 ATOM 606 C VAL A 73 48.381 22.655 -5.110 1.00 0.00 ATOM 607 N PRO A 74 48.703 22.264 -3.882 1.00 0.00 ATOM 608 CA PRO A 74 47.689 22.338 -2.829 1.00 0.00 ATOM 609 CB PRO A 74 48.309 21.542 -1.676 1.00 0.00 ATOM 610 CG PRO A 74 49.333 20.660 -2.349 1.00 0.00 ATOM 611 CD PRO A 74 49.904 21.553 -3.415 1.00 0.00 ATOM 612 O PRO A 74 48.413 24.497 -2.061 1.00 0.00 ATOM 613 C PRO A 74 47.454 23.767 -2.341 1.00 0.00 ATOM 614 N ILE A 75 46.219 24.163 -2.235 1.00 0.00 ATOM 615 CA ILE A 75 45.890 25.512 -1.782 1.00 0.00 ATOM 616 CB ILE A 75 45.400 26.394 -2.945 1.00 0.00 ATOM 617 CG1 ILE A 75 44.146 25.789 -3.580 1.00 0.00 ATOM 618 CG2 ILE A 75 46.474 26.508 -4.015 1.00 0.00 ATOM 619 CD1 ILE A 75 43.474 26.697 -4.586 1.00 0.00 ATOM 620 O ILE A 75 44.212 24.321 -0.550 1.00 0.00 ATOM 621 C ILE A 75 44.778 25.397 -0.742 1.00 0.00 ATOM 622 N THR A 76 44.473 26.484 -0.058 1.00 0.00 ATOM 623 CA THR A 76 43.321 26.478 0.845 1.00 0.00 ATOM 624 CB THR A 76 43.671 27.118 2.201 1.00 0.00 ATOM 625 CG2 THR A 76 44.849 26.401 2.841 1.00 0.00 ATOM 626 OG1 THR A 76 44.013 28.496 2.008 1.00 0.00 ATOM 627 O THR A 76 42.354 28.023 -0.721 1.00 0.00 ATOM 628 C THR A 76 42.163 27.245 0.223 1.00 0.00 ATOM 629 N GLU A 77 40.964 27.032 0.752 1.00 0.00 ATOM 630 CA GLU A 77 39.814 27.792 0.296 1.00 0.00 ATOM 631 CB GLU A 77 38.564 27.391 1.083 1.00 0.00 ATOM 632 CG GLU A 77 37.297 28.104 0.639 1.00 0.00 ATOM 633 CD GLU A 77 36.071 27.640 1.402 1.00 0.00 ATOM 634 OE1 GLU A 77 36.209 26.746 2.263 1.00 0.00 ATOM 635 OE2 GLU A 77 34.972 28.170 1.136 1.00 0.00 ATOM 636 O GLU A 77 39.638 30.080 -0.345 1.00 0.00 ATOM 637 C GLU A 77 40.037 29.288 0.496 1.00 0.00 ATOM 638 N ASN A 78 40.644 29.702 1.600 1.00 0.00 ATOM 639 CA ASN A 78 40.915 31.127 1.788 1.00 0.00 ATOM 640 CB ASN A 78 41.475 31.420 3.158 1.00 0.00 ATOM 641 CG ASN A 78 40.420 31.685 4.206 1.00 0.00 ATOM 642 ND2 ASN A 78 40.724 31.330 5.453 1.00 0.00 ATOM 643 OD1 ASN A 78 39.351 32.244 3.896 1.00 0.00 ATOM 644 O ASN A 78 41.679 32.755 0.221 1.00 0.00 ATOM 645 C ASN A 78 41.856 31.654 0.725 1.00 0.00 ATOM 646 N GLN A 79 42.887 30.876 0.356 1.00 0.00 ATOM 647 CA GLN A 79 43.822 31.304 -0.671 1.00 0.00 ATOM 648 CB GLN A 79 45.015 30.375 -0.792 1.00 0.00 ATOM 649 CG GLN A 79 46.006 30.542 0.369 1.00 0.00 ATOM 650 CD GLN A 79 46.850 29.336 0.656 1.00 0.00 ATOM 651 OE1 GLN A 79 46.844 28.341 -0.089 1.00 0.00 ATOM 652 NE2 GLN A 79 47.579 29.389 1.777 1.00 0.00 ATOM 653 O GLN A 79 43.287 32.402 -2.740 1.00 0.00 ATOM 654 C GLN A 79 43.122 31.406 -2.024 1.00 0.00 ATOM 655 N PHE A 80 42.282 30.423 -2.348 1.00 0.00 ATOM 656 CA PHE A 80 41.555 30.492 -3.606 1.00 0.00 ATOM 657 CB PHE A 80 40.799 29.149 -3.878 1.00 0.00 ATOM 658 CG PHE A 80 40.011 29.311 -5.166 1.00 0.00 ATOM 659 CD1 PHE A 80 40.685 29.474 -6.364 1.00 0.00 ATOM 660 CD2 PHE A 80 38.633 29.351 -5.140 1.00 0.00 ATOM 661 CE1 PHE A 80 39.974 29.638 -7.546 1.00 0.00 ATOM 662 CE2 PHE A 80 37.917 29.520 -6.319 1.00 0.00 ATOM 663 CZ PHE A 80 38.591 29.669 -7.516 1.00 0.00 ATOM 664 O PHE A 80 40.543 32.354 -4.727 1.00 0.00 ATOM 665 C PHE A 80 40.649 31.723 -3.674 1.00 0.00 ATOM 666 N ARG A 81 39.995 32.081 -2.567 1.00 0.00 ATOM 667 CA ARG A 81 39.167 33.285 -2.563 1.00 0.00 ATOM 668 CB ARG A 81 38.219 33.218 -1.321 1.00 0.00 ATOM 669 CG ARG A 81 37.140 32.146 -1.360 1.00 0.00 ATOM 670 CD ARG A 81 36.293 32.223 -0.088 1.00 0.00 ATOM 671 NE ARG A 81 35.231 31.223 -0.033 1.00 0.00 ATOM 672 CZ ARG A 81 34.094 31.289 -0.719 1.00 0.00 ATOM 673 NH1 ARG A 81 33.858 32.316 -1.529 1.00 0.00 ATOM 674 NH2 ARG A 81 33.187 30.334 -0.584 1.00 0.00 ATOM 675 O ARG A 81 39.418 35.556 -3.269 1.00 0.00 ATOM 676 C ARG A 81 39.976 34.556 -2.825 1.00 0.00 ATOM 677 N GLU A 82 41.280 34.489 -2.518 1.00 0.00 ATOM 678 CA GLU A 82 42.179 35.622 -2.717 1.00 0.00 ATOM 679 CB GLU A 82 43.236 35.669 -1.611 1.00 0.00 ATOM 680 CG GLU A 82 42.667 35.889 -0.219 1.00 0.00 ATOM 681 CD GLU A 82 43.731 35.846 0.860 1.00 0.00 ATOM 682 OE1 GLU A 82 44.912 35.620 0.519 1.00 0.00 ATOM 683 OE2 GLU A 82 43.386 36.037 2.044 1.00 0.00 ATOM 684 O GLU A 82 43.032 36.530 -4.776 1.00 0.00 ATOM 685 C GLU A 82 42.910 35.535 -4.057 1.00 0.00 ATOM 686 N ARG A 83 43.392 34.389 -4.437 1.00 0.00 ATOM 687 CA ARG A 83 44.135 34.146 -5.655 1.00 0.00 ATOM 688 CB ARG A 83 45.614 33.842 -5.351 1.00 0.00 ATOM 689 CG ARG A 83 46.528 33.809 -6.590 1.00 0.00 ATOM 690 CD ARG A 83 47.976 33.621 -6.218 1.00 0.00 ATOM 691 NE ARG A 83 48.532 34.786 -5.530 1.00 0.00 ATOM 692 CZ ARG A 83 48.854 34.818 -4.240 1.00 0.00 ATOM 693 NH1 ARG A 83 48.654 33.751 -3.475 1.00 0.00 ATOM 694 NH2 ARG A 83 49.457 35.898 -3.746 1.00 0.00 ATOM 695 O ARG A 83 42.988 31.991 -5.860 1.00 0.00 ATOM 696 C ARG A 83 43.408 33.039 -6.392 1.00 0.00 ATOM 697 N ILE A 84 43.212 33.237 -7.696 1.00 0.00 ATOM 698 CA ILE A 84 42.464 32.306 -8.524 1.00 0.00 ATOM 699 CB ILE A 84 41.511 33.068 -9.466 1.00 0.00 ATOM 700 CG1 ILE A 84 40.530 33.909 -8.644 1.00 0.00 ATOM 701 CG2 ILE A 84 40.750 32.123 -10.385 1.00 0.00 ATOM 702 CD1 ILE A 84 39.923 35.049 -9.422 1.00 0.00 ATOM 703 O ILE A 84 43.228 30.172 -9.286 1.00 0.00 ATOM 704 C ILE A 84 43.399 31.399 -9.289 1.00 0.00 ATOM 705 N VAL A 85 44.344 32.018 -10.001 1.00 0.00 ATOM 706 CA VAL A 85 45.322 31.249 -10.787 1.00 0.00 ATOM 707 CB VAL A 85 45.139 31.570 -12.253 1.00 0.00 ATOM 708 CG1 VAL A 85 46.223 30.898 -13.089 1.00 0.00 ATOM 709 CG2 VAL A 85 43.773 31.071 -12.684 1.00 0.00 ATOM 710 O VAL A 85 47.086 32.854 -10.514 1.00 0.00 ATOM 711 C VAL A 85 46.707 31.693 -10.346 1.00 0.00 ATOM 712 N ILE A 86 47.461 30.766 -9.789 1.00 0.00 ATOM 713 CA ILE A 86 48.804 31.049 -9.309 1.00 0.00 ATOM 714 CB ILE A 86 48.889 30.809 -7.789 1.00 0.00 ATOM 715 CG1 ILE A 86 50.239 31.291 -7.252 1.00 0.00 ATOM 716 CG2 ILE A 86 48.648 29.333 -7.466 1.00 0.00 ATOM 717 CD1 ILE A 86 50.329 31.357 -5.756 1.00 0.00 ATOM 718 O ILE A 86 49.772 29.099 -10.322 1.00 0.00 ATOM 719 C ILE A 86 49.839 30.322 -10.143 1.00 0.00 ATOM 720 N GLY A 87 50.817 31.058 -10.662 1.00 0.00 ATOM 721 CA GLY A 87 51.872 30.455 -11.463 1.00 0.00 ATOM 722 O GLY A 87 53.628 31.129 -9.953 1.00 0.00 ATOM 723 C GLY A 87 53.134 30.215 -10.655 1.00 0.00 ATOM 724 N TYR A 88 53.656 28.982 -10.746 1.00 0.00 ATOM 725 CA TYR A 88 54.874 28.601 -10.048 1.00 0.00 ATOM 726 CB TYR A 88 54.546 27.348 -9.344 1.00 0.00 ATOM 727 CG TYR A 88 53.844 27.783 -8.073 1.00 0.00 ATOM 728 CD1 TYR A 88 52.448 27.784 -7.992 1.00 0.00 ATOM 729 CD2 TYR A 88 54.568 28.228 -6.967 1.00 0.00 ATOM 730 CE1 TYR A 88 51.792 28.221 -6.844 1.00 0.00 ATOM 731 CE2 TYR A 88 53.916 28.670 -5.810 1.00 0.00 ATOM 732 CZ TYR A 88 52.527 28.663 -5.761 1.00 0.00 ATOM 733 OH TYR A 88 51.872 29.101 -4.630 1.00 0.00 ATOM 734 O TYR A 88 55.720 27.075 -11.694 1.00 0.00 ATOM 735 C TYR A 88 55.941 28.061 -10.988 1.00 0.00 ATOM 736 N SER A 89 57.216 28.527 -10.601 1.00 0.00 ATOM 737 CA SER A 89 58.301 28.068 -11.450 1.00 0.00 ATOM 738 CB SER A 89 57.767 27.157 -12.557 1.00 0.00 ATOM 739 OG SER A 89 58.814 26.721 -13.407 1.00 0.00 ATOM 740 O SER A 89 59.211 30.275 -11.606 1.00 0.00 ATOM 741 C SER A 89 59.055 29.179 -12.150 1.00 0.00 ATOM 742 N GLY A 90 59.562 28.874 -13.343 1.00 0.00 ATOM 743 CA GLY A 90 60.316 29.844 -14.114 1.00 0.00 ATOM 744 O GLY A 90 58.339 30.955 -14.797 1.00 0.00 ATOM 745 C GLY A 90 59.529 30.773 -14.980 1.00 0.00 ATOM 746 N SER A 91 60.131 31.433 -15.931 1.00 0.00 ATOM 747 CA SER A 91 59.514 32.539 -16.658 1.00 0.00 ATOM 748 CB SER A 91 60.562 33.224 -17.547 1.00 0.00 ATOM 749 OG SER A 91 59.973 34.272 -18.296 1.00 0.00 ATOM 750 O SER A 91 57.294 32.720 -17.550 1.00 0.00 ATOM 751 C SER A 91 58.338 32.065 -17.507 1.00 0.00 ATOM 752 N GLU A 92 58.481 30.953 -18.185 1.00 0.00 ATOM 753 CA GLU A 92 57.401 30.430 -19.015 1.00 0.00 ATOM 754 CB GLU A 92 57.827 29.164 -19.781 1.00 0.00 ATOM 755 CG GLU A 92 58.924 29.459 -20.838 1.00 0.00 ATOM 756 CD GLU A 92 60.317 29.442 -20.287 1.00 0.00 ATOM 757 OE1 GLU A 92 60.563 29.146 -19.114 1.00 0.00 ATOM 758 OE2 GLU A 92 61.237 29.801 -21.079 1.00 0.00 ATOM 759 O GLU A 92 55.034 30.422 -18.628 1.00 0.00 ATOM 760 C GLU A 92 56.152 30.109 -18.209 1.00 0.00 ATOM 761 N ARG A 93 56.343 29.528 -17.032 1.00 0.00 ATOM 762 CA ARG A 93 55.217 29.188 -16.167 1.00 0.00 ATOM 763 CB ARG A 93 55.687 28.349 -14.978 1.00 0.00 ATOM 764 CG ARG A 93 54.557 27.936 -14.018 1.00 0.00 ATOM 765 CD ARG A 93 53.471 27.120 -14.732 1.00 0.00 ATOM 766 NE ARG A 93 52.305 26.854 -13.883 1.00 0.00 ATOM 767 CZ ARG A 93 51.206 27.612 -13.833 1.00 0.00 ATOM 768 NH1 ARG A 93 51.099 28.698 -14.584 1.00 0.00 ATOM 769 NH2 ARG A 93 50.214 27.275 -13.020 1.00 0.00 ATOM 770 O ARG A 93 53.294 30.522 -15.638 1.00 0.00 ATOM 771 C ARG A 93 54.522 30.470 -15.714 1.00 0.00 ATOM 772 N GLU A 94 55.312 31.512 -15.455 1.00 0.00 ATOM 773 CA GLU A 94 54.768 32.795 -15.014 1.00 0.00 ATOM 774 CB GLU A 94 55.899 33.761 -14.657 1.00 0.00 ATOM 775 CG GLU A 94 56.659 33.389 -13.395 1.00 0.00 ATOM 776 CD GLU A 94 57.846 34.296 -13.140 1.00 0.00 ATOM 777 OE1 GLU A 94 58.117 35.172 -13.989 1.00 0.00 ATOM 778 OE2 GLU A 94 58.505 34.131 -12.092 1.00 0.00 ATOM 779 O GLU A 94 52.837 33.905 -15.905 1.00 0.00 ATOM 780 C GLU A 94 53.933 33.392 -16.132 1.00 0.00 ATOM 781 N GLU A 95 54.481 33.341 -17.342 1.00 0.00 ATOM 782 CA GLU A 95 53.801 33.859 -18.521 1.00 0.00 ATOM 783 CB GLU A 95 54.682 33.697 -19.761 1.00 0.00 ATOM 784 CG GLU A 95 55.892 34.617 -19.786 1.00 0.00 ATOM 785 CD GLU A 95 56.805 34.344 -20.965 1.00 0.00 ATOM 786 OE1 GLU A 95 56.531 33.388 -21.721 1.00 0.00 ATOM 787 OE2 GLU A 95 57.796 35.086 -21.133 1.00 0.00 ATOM 788 O GLU A 95 51.505 33.692 -19.180 1.00 0.00 ATOM 789 C GLU A 95 52.507 33.100 -18.785 1.00 0.00 ATOM 790 N LYS A 96 52.534 31.789 -18.590 1.00 0.00 ATOM 791 CA LYS A 96 51.344 30.978 -18.813 1.00 0.00 ATOM 792 CB LYS A 96 51.714 29.474 -18.602 1.00 0.00 ATOM 793 CG LYS A 96 50.537 28.532 -18.795 1.00 0.00 ATOM 794 CD LYS A 96 49.871 28.653 -20.133 1.00 0.00 ATOM 795 CE LYS A 96 49.158 27.380 -20.613 1.00 0.00 ATOM 796 NZ LYS A 96 48.114 26.944 -19.629 1.00 0.00 ATOM 797 O LYS A 96 49.057 31.412 -18.241 1.00 0.00 ATOM 798 C LYS A 96 50.219 31.320 -17.848 1.00 0.00 ATOM 799 N SER A 97 50.546 31.512 -16.577 1.00 0.00 ATOM 800 CA SER A 97 49.542 31.845 -15.572 1.00 0.00 ATOM 801 CB SER A 97 50.174 31.771 -14.160 1.00 0.00 ATOM 802 OG SER A 97 49.170 32.039 -13.185 1.00 0.00 ATOM 803 O SER A 97 47.728 33.420 -15.666 1.00 0.00 ATOM 804 C SER A 97 48.926 33.212 -15.863 1.00 0.00 ATOM 805 N ASN A 98 49.754 34.152 -16.301 1.00 0.00 ATOM 806 CA ASN A 98 49.263 35.489 -16.605 1.00 0.00 ATOM 807 CB ASN A 98 50.413 36.390 -17.063 1.00 0.00 ATOM 808 CG ASN A 98 51.327 36.793 -15.922 1.00 0.00 ATOM 809 ND2 ASN A 98 52.538 37.221 -16.260 1.00 0.00 ATOM 810 OD1 ASN A 98 50.948 36.717 -14.754 1.00 0.00 ATOM 811 O ASN A 98 47.155 36.025 -17.613 1.00 0.00 ATOM 812 C ASN A 98 48.225 35.428 -17.720 1.00 0.00 ATOM 813 N VAL A 99 48.560 34.675 -18.843 1.00 0.00 ATOM 814 CA VAL A 99 47.646 34.530 -19.973 1.00 0.00 ATOM 815 CB VAL A 99 48.269 33.679 -21.096 1.00 0.00 ATOM 816 CG1 VAL A 99 47.235 33.374 -22.169 1.00 0.00 ATOM 817 CG2 VAL A 99 49.429 34.419 -21.745 1.00 0.00 ATOM 818 O VAL A 99 45.281 34.286 -19.989 1.00 0.00 ATOM 819 C VAL A 99 46.339 33.848 -19.569 1.00 0.00 ATOM 820 N VAL A 100 46.416 32.802 -18.783 1.00 0.00 ATOM 821 CA VAL A 100 45.198 32.125 -18.322 1.00 0.00 ATOM 822 CB VAL A 100 45.548 30.843 -17.545 1.00 0.00 ATOM 823 CG1 VAL A 100 44.293 30.214 -16.961 1.00 0.00 ATOM 824 CG2 VAL A 100 46.213 29.828 -18.461 1.00 0.00 ATOM 825 O VAL A 100 43.114 32.995 -17.538 1.00 0.00 ATOM 826 C VAL A 100 44.334 32.982 -17.409 1.00 0.00 ATOM 827 N TRP A 101 44.966 33.716 -16.495 1.00 0.00 ATOM 828 CA TRP A 101 44.258 34.571 -15.579 1.00 0.00 ATOM 829 CB TRP A 101 45.294 35.531 -14.767 1.00 0.00 ATOM 830 CG TRP A 101 45.101 35.768 -13.290 1.00 0.00 ATOM 831 CD1 TRP A 101 43.926 35.998 -12.632 1.00 0.00 ATOM 832 CD2 TRP A 101 46.117 35.758 -12.270 1.00 0.00 ATOM 833 CE2 TRP A 101 45.478 35.993 -11.035 1.00 0.00 ATOM 834 CE3 TRP A 101 47.510 35.596 -12.297 1.00 0.00 ATOM 835 NE1 TRP A 101 44.131 36.129 -11.272 1.00 0.00 ATOM 836 CZ2 TRP A 101 46.187 36.050 -9.828 1.00 0.00 ATOM 837 CZ3 TRP A 101 48.210 35.640 -11.104 1.00 0.00 ATOM 838 CH2 TRP A 101 47.539 35.863 -9.899 1.00 0.00 ATOM 839 O TRP A 101 42.886 36.378 -16.327 1.00 0.00 ATOM 840 C TRP A 101 44.024 35.896 -16.286 1.00 0.00 ENDMDL EXPDTA 2ivyA MODEL 2 REMARK 44 REMARK 44 model 2 is called 2ivyA ATOM 1 N ALA 2 40.193 16.462 3.263 1.00 0.00 ATOM 2 CA ALA 2 40.904 16.509 1.947 1.00 0.00 ATOM 3 CB ALA 2 40.018 15.966 0.833 1.00 0.00 ATOM 4 O ALA 2 40.708 18.914 1.863 1.00 0.00 ATOM 5 C ALA 2 41.390 17.914 1.601 1.00 0.00 ATOM 6 N MET 3 42.561 17.990 0.984 1.00 0.00 ATOM 7 CA MET 3 43.114 19.275 0.671 1.00 0.00 ATOM 8 CB MET 3 44.634 19.191 0.547 1.00 0.00 ATOM 9 CG MET 3 45.366 18.980 1.850 1.00 0.00 ATOM 10 SD MET 3 47.110 19.345 1.605 1.00 0.00 ATOM 11 CE MET 3 47.722 19.181 3.278 1.00 0.00 ATOM 12 O MET 3 42.156 18.964 -1.506 1.00 0.00 ATOM 13 C MET 3 42.520 19.760 -0.644 1.00 0.00 ATOM 14 N LEU 4 42.411 21.074 -0.768 1.00 0.00 ATOM 15 CA LEU 4 42.072 21.709 -2.035 1.00 0.00 ATOM 16 CB LEU 4 41.478 23.106 -1.777 1.00 0.00 ATOM 17 CG LEU 4 41.017 23.979 -2.961 1.00 0.00 ATOM 18 CD1 LEU 4 39.839 23.358 -3.673 1.00 0.00 ATOM 19 CD2 LEU 4 40.626 25.390 -2.490 1.00 0.00 ATOM 20 O LEU 4 44.408 22.123 -2.430 1.00 0.00 ATOM 21 C LEU 4 43.319 21.799 -2.908 1.00 0.00 ATOM 22 N TYR 5 43.135 21.515 -4.192 1.00 0.00 ATOM 23 CA TYR 5 44.208 21.648 -5.164 1.00 0.00 ATOM 24 CB TYR 5 44.625 20.281 -5.743 1.00 0.00 ATOM 25 CG TYR 5 45.277 19.398 -4.699 1.00 0.00 ATOM 26 CD1 TYR 5 46.668 19.383 -4.540 1.00 0.00 ATOM 27 CD2 TYR 5 44.503 18.599 -3.853 1.00 0.00 ATOM 28 CE1 TYR 5 47.268 18.607 -3.564 1.00 0.00 ATOM 29 CE2 TYR 5 45.097 17.817 -2.875 1.00 0.00 ATOM 30 CZ TYR 5 46.478 17.819 -2.743 1.00 0.00 ATOM 31 OH TYR 5 47.082 17.057 -1.781 1.00 0.00 ATOM 32 O TYR 5 42.638 22.572 -6.714 1.00 0.00 ATOM 33 C TYR 5 43.798 22.553 -6.306 1.00 0.00 ATOM 34 N LEU 6 44.793 23.263 -6.831 1.00 0.00 ATOM 35 CA LEU 6 44.686 23.994 -8.085 1.00 0.00 ATOM 36 CB LEU 6 45.283 25.382 -7.882 1.00 0.00 ATOM 37 CG LEU 6 45.158 26.469 -8.917 1.00 0.00 ATOM 38 CD1 LEU 6 43.689 26.751 -9.207 1.00 0.00 ATOM 39 CD2 LEU 6 45.860 27.721 -8.371 1.00 0.00 ATOM 40 O LEU 6 46.591 22.749 -8.857 1.00 0.00 ATOM 41 C LEU 6 45.469 23.215 -9.130 1.00 0.00 ATOM 42 N ILE 7 44.875 23.059 -10.315 1.00 0.00 ATOM 43 CA ILE 7 45.525 22.358 -11.424 1.00 0.00 ATOM 44 CB ILE 7 44.820 21.019 -11.750 1.00 0.00 ATOM 45 CG1 ILE 7 44.779 20.119 -10.507 1.00 0.00 ATOM 46 CG2 ILE 7 45.509 20.329 -12.929 1.00 0.00 ATOM 47 CD1 ILE 7 44.204 18.710 -10.770 1.00 0.00 ATOM 48 O ILE 7 44.506 23.620 -13.155 1.00 0.00 ATOM 49 C ILE 7 45.557 23.255 -12.645 1.00 0.00 ATOM 50 N PHE 8 46.761 23.615 -13.083 1.00 0.00 ATOM 51 CA PHE 8 46.938 24.460 -14.257 1.00 0.00 ATOM 52 CB PHE 8 47.867 25.654 -13.933 1.00 0.00 ATOM 53 CG PHE 8 48.460 26.321 -15.167 1.00 0.00 ATOM 54 CD1 PHE 8 47.728 27.267 -15.878 1.00 0.00 ATOM 55 CD2 PHE 8 49.740 25.990 -15.619 1.00 0.00 ATOM 56 CE1 PHE 8 48.246 27.875 -17.004 1.00 0.00 ATOM 57 CE2 PHE 8 50.266 26.595 -16.752 1.00 0.00 ATOM 58 CZ PHE 8 49.513 27.541 -17.443 1.00 0.00 ATOM 59 O PHE 8 48.517 22.836 -14.964 1.00 0.00 ATOM 60 C PHE 8 47.630 23.617 -15.297 1.00 0.00 ATOM 61 N TYR 9 47.289 23.805 -16.565 1.00 0.00 ATOM 62 CA TYR 9 48.063 23.118 -17.584 1.00 0.00 ATOM 63 CB TYR 9 47.481 21.732 -17.886 1.00 0.00 ATOM 64 CG TYR 9 46.028 21.698 -18.283 1.00 0.00 ATOM 65 CD1 TYR 9 45.638 21.881 -19.601 1.00 0.00 ATOM 66 CD2 TYR 9 45.039 21.445 -17.335 1.00 0.00 ATOM 67 CE1 TYR 9 44.289 21.808 -19.975 1.00 0.00 ATOM 68 CE2 TYR 9 43.707 21.386 -17.695 1.00 0.00 ATOM 69 CZ TYR 9 43.325 21.573 -19.010 1.00 0.00 ATOM 70 OH TYR 9 41.999 21.491 -19.372 1.00 0.00 ATOM 71 O TYR 9 47.514 24.895 -19.095 1.00 0.00 ATOM 72 C TYR 9 48.268 23.947 -18.834 1.00 0.00 ATOM 73 N ASP 10 49.292 23.554 -19.594 1.00 0.00 ATOM 74 CA ASP 10 49.672 24.196 -20.839 1.00 0.00 ATOM 75 CB ASP 10 50.917 25.056 -20.592 1.00 0.00 ATOM 76 CG ASP 10 51.432 25.731 -21.846 1.00 0.00 ATOM 77 OD1 ASP 10 50.754 25.742 -22.908 1.00 0.00 ATOM 78 OD2 ASP 10 52.557 26.248 -21.768 1.00 0.00 ATOM 79 O ASP 10 51.050 22.438 -21.682 1.00 0.00 ATOM 80 C ASP 10 49.985 23.056 -21.781 1.00 0.00 ATOM 81 N ILE 11 49.035 22.749 -22.657 1.00 0.00 ATOM 82 CA ILE 11 49.124 21.577 -23.521 1.00 0.00 ATOM 83 CB ILE 11 48.153 20.455 -23.062 1.00 0.00 ATOM 84 CG1 ILE 11 48.519 20.009 -21.648 1.00 0.00 ATOM 85 CG2 ILE 11 48.180 19.269 -24.053 1.00 0.00 ATOM 86 CD1 ILE 11 47.515 19.084 -21.033 1.00 0.00 ATOM 87 O ILE 11 47.661 22.392 -25.193 1.00 0.00 ATOM 88 C ILE 11 48.801 22.022 -24.920 1.00 0.00 ATOM 89 N THR 12 49.793 22.013 -25.809 1.00 0.00 ATOM 90 CA THR 12 49.562 22.581 -27.132 1.00 0.00 ATOM 91 CB THR 12 50.878 22.996 -27.787 1.00 0.00 ATOM 92 CG2 THR 12 51.542 24.116 -26.987 1.00 0.00 ATOM 93 OG1 THR 12 51.752 21.878 -27.768 1.00 0.00 ATOM 94 O THR 12 48.094 22.103 -28.977 1.00 0.00 ATOM 95 C THR 12 48.779 21.643 -28.054 1.00 0.00 ATOM 96 N ASP 13 48.886 20.336 -27.829 1.00 0.00 ATOM 97 CA ASP 13 48.185 19.379 -28.686 1.00 0.00 ATOM 98 CB ASP 13 48.771 17.980 -28.535 1.00 0.00 ATOM 99 CG ASP 13 48.179 17.012 -29.532 1.00 0.00 ATOM 100 OD1 ASP 13 48.681 16.945 -30.668 1.00 0.00 ATOM 101 OD2 ASP 13 47.189 16.355 -29.195 1.00 0.00 ATOM 102 O ASP 13 46.368 19.036 -27.169 1.00 0.00 ATOM 103 C ASP 13 46.707 19.363 -28.307 1.00 0.00 ATOM 104 N ASP 14 45.832 19.702 -29.256 1.00 0.00 ATOM 105 CA ASP 14 44.388 19.788 -28.983 1.00 0.00 ATOM 106 CB ASP 14 43.616 20.191 -30.244 1.00 0.00 ATOM 107 CG ASP 14 43.870 21.631 -30.667 1.00 0.00 ATOM 108 OD1 ASP 14 44.418 22.433 -29.876 1.00 0.00 ATOM 109 OD2 ASP 14 43.482 21.964 -31.810 1.00 0.00 ATOM 110 O ASP 14 42.997 18.503 -27.534 1.00 0.00 ATOM 111 C ASP 14 43.809 18.484 -28.452 1.00 0.00 ATOM 112 N ASN 15 44.236 17.357 -29.020 1.00 0.00 ATOM 113 CA ASN 15 43.739 16.041 -28.604 1.00 0.00 ATOM 114 CB ASN 15 44.246 14.958 -29.570 1.00 0.00 ATOM 115 CG ASN 15 43.888 13.549 -29.121 1.00 0.00 ATOM 116 ND2 ASN 15 42.632 13.156 -29.312 1.00 0.00 ATOM 117 OD1 ASN 15 44.744 12.818 -28.613 1.00 0.00 ATOM 118 O ASN 15 43.234 15.311 -26.359 1.00 0.00 ATOM 119 C ASN 15 44.101 15.720 -27.152 1.00 0.00 ATOM 120 N LEU 16 45.366 15.942 -26.798 1.00 0.00 ATOM 121 CA LEU 16 45.821 15.649 -25.447 1.00 0.00 ATOM 122 CB LEU 16 47.344 15.721 -25.303 1.00 0.00 ATOM 123 CG LEU 16 48.143 14.709 -26.126 1.00 0.00 ATOM 124 CD1 LEU 16 49.627 14.863 -25.822 1.00 0.00 ATOM 125 CD2 LEU 16 47.668 13.272 -25.882 1.00 0.00 ATOM 126 O LEU 16 44.799 16.199 -23.386 1.00 0.00 ATOM 127 C LEU 16 45.174 16.602 -24.475 1.00 0.00 ATOM 128 N ARG 17 45.030 17.867 -24.873 1.00 0.00 ATOM 129 CA ARG 17 44.410 18.855 -23.975 1.00 0.00 ATOM 130 CB ARG 17 44.432 20.247 -24.614 1.00 0.00 ATOM 131 CG ARG 17 43.951 21.331 -23.647 1.00 0.00 ATOM 132 CD ARG 17 43.690 22.667 -24.296 1.00 0.00 ATOM 133 NE ARG 17 44.768 22.937 -25.214 1.00 0.00 ATOM 134 CZ ARG 17 44.641 22.970 -26.537 1.00 0.00 ATOM 135 NH1 ARG 17 43.451 22.852 -27.126 1.00 0.00 ATOM 136 NH2 ARG 17 45.722 23.154 -27.265 1.00 0.00 ATOM 137 O ARG 17 42.520 18.529 -22.537 1.00 0.00 ATOM 138 C ARG 17 42.970 18.468 -23.679 1.00 0.00 ATOM 139 N ASN 18 42.249 18.039 -24.716 1.00 0.00 ATOM 140 CA ASN 18 40.875 17.611 -24.521 1.00 0.00 ATOM 141 CB ASN 18 40.162 17.447 -25.874 1.00 0.00 ATOM 142 CG ASN 18 39.860 18.793 -26.540 1.00 0.00 ATOM 143 ND2 ASN 18 39.587 18.759 -27.830 1.00 0.00 ATOM 144 OD1 ASN 18 39.887 19.851 -25.893 1.00 0.00 ATOM 145 O ASN 18 39.861 16.264 -22.813 1.00 0.00 ATOM 146 C ASN 18 40.773 16.366 -23.643 1.00 0.00 ATOM 147 N ARG 19 41.730 15.450 -23.769 1.00 0.00 ATOM 148 CA ARG 19 41.750 14.280 -22.893 1.00 0.00 ATOM 149 CB ARG 19 42.844 13.283 -23.278 1.00 0.00 ATOM 150 CG ARG 19 42.429 12.176 -24.171 1.00 0.00 ATOM 151 CD ARG 19 43.659 11.387 -24.578 1.00 0.00 ATOM 152 NE ARG 19 44.014 10.298 -23.658 1.00 0.00 ATOM 153 CZ ARG 19 45.066 9.502 -23.842 1.00 0.00 ATOM 154 NH1 ARG 19 45.853 9.674 -24.905 1.00 0.00 ATOM 155 NH2 ARG 19 45.332 8.524 -22.987 1.00 0.00 ATOM 156 O ARG 19 41.314 14.105 -20.541 1.00 0.00 ATOM 157 C ARG 19 41.941 14.677 -21.441 1.00 0.00 ATOM 158 N VAL 20 42.827 15.646 -21.199 1.00 0.00 ATOM 159 CA VAL 20 43.040 16.128 -19.845 1.00 0.00 ATOM 160 CB VAL 20 44.256 17.077 -19.773 1.00 0.00 ATOM 161 CG1 VAL 20 44.315 17.817 -18.426 1.00 0.00 ATOM 162 CG2 VAL 20 45.535 16.301 -20.039 1.00 0.00 ATOM 163 O VAL 20 41.337 16.464 -18.192 1.00 0.00 ATOM 164 C VAL 20 41.768 16.790 -19.307 1.00 0.00 ATOM 165 N ALA 21 41.153 17.690 -20.092 1.00 0.00 ATOM 166 CA ALA 21 39.957 18.390 -19.616 1.00 0.00 ATOM 167 CB ALA 21 39.491 19.408 -20.639 1.00 0.00 ATOM 168 O ALA 21 38.168 17.467 -18.282 1.00 0.00 ATOM 169 C ALA 21 38.849 17.380 -19.307 1.00 0.00 ATOM 170 N GLU 22 38.672 16.404 -20.190 1.00 0.00 ATOM 171 CA GLU 22 37.634 15.397 -19.992 1.00 0.00 ATOM 172 CB GLU 22 37.533 14.481 -21.206 1.00 0.00 ATOM 173 CG GLU 22 36.897 15.142 -22.404 1.00 0.00 ATOM 174 CD GLU 22 37.019 14.309 -23.668 1.00 0.00 ATOM 175 OE1 GLU 22 37.748 13.284 -23.663 1.00 0.00 ATOM 176 OE2 GLU 22 36.398 14.693 -24.678 1.00 0.00 ATOM 177 O GLU 22 36.977 14.288 -17.966 1.00 0.00 ATOM 178 C GLU 22 37.897 14.568 -18.741 1.00 0.00 ATOM 179 N PHE 23 39.157 14.198 -18.530 1.00 0.00 ATOM 180 CA PHE 23 39.537 13.403 -17.376 1.00 0.00 ATOM 181 CB PHE 23 41.002 12.966 -17.503 1.00 0.00 ATOM 182 CG PHE 23 41.518 12.202 -16.314 1.00 0.00 ATOM 183 CD1 PHE 23 40.976 10.976 -15.981 1.00 0.00 ATOM 184 CD2 PHE 23 42.571 12.701 -15.570 1.00 0.00 ATOM 185 CE1 PHE 23 41.446 10.278 -14.885 1.00 0.00 ATOM 186 CE2 PHE 23 43.056 12.006 -14.487 1.00 0.00 ATOM 187 CZ PHE 23 42.505 10.802 -14.149 1.00 0.00 ATOM 188 O PHE 23 38.669 13.618 -15.152 1.00 0.00 ATOM 189 C PHE 23 39.275 14.159 -16.087 1.00 0.00 ATOM 190 N LEU 24 39.709 15.411 -16.029 1.00 0.00 ATOM 191 CA LEU 24 39.527 16.175 -14.805 1.00 0.00 ATOM 192 CB LEU 24 40.335 17.470 -14.864 1.00 0.00 ATOM 193 CG LEU 24 41.862 17.250 -14.920 1.00 0.00 ATOM 194 CD1 LEU 24 42.577 18.595 -15.016 1.00 0.00 ATOM 195 CD2 LEU 24 42.377 16.464 -13.713 1.00 0.00 ATOM 196 O LEU 24 37.630 16.407 -13.379 1.00 0.00 ATOM 197 C LEU 24 38.049 16.433 -14.528 1.00 0.00 ATOM 198 N LYS 25 37.254 16.678 -15.569 1.00 0.00 ATOM 199 CA LYS 25 35.813 16.797 -15.381 1.00 0.00 ATOM 200 CB LYS 25 35.141 17.144 -16.696 1.00 0.00 ATOM 201 CG LYS 25 33.628 17.248 -16.612 1.00 0.00 ATOM 202 CD LYS 25 33.022 17.602 -17.966 1.00 0.00 ATOM 203 CE LYS 25 31.500 17.528 -17.951 1.00 0.00 ATOM 204 NZ LYS 25 30.916 18.004 -19.236 1.00 0.00 ATOM 205 O LYS 25 34.426 15.546 -13.887 1.00 0.00 ATOM 206 C LYS 25 35.232 15.506 -14.807 1.00 0.00 ATOM 207 N LYS 26 35.639 14.365 -15.353 1.00 0.00 ATOM 208 CA LYS 26 35.114 13.074 -14.880 1.00 0.00 ATOM 209 CB LYS 26 35.636 11.939 -15.749 1.00 0.00 ATOM 210 CG LYS 26 34.909 11.798 -17.059 1.00 0.00 ATOM 211 CD LYS 26 35.579 10.776 -17.944 1.00 0.00 ATOM 212 CE LYS 26 35.134 10.952 -19.375 1.00 0.00 ATOM 213 NZ LYS 26 36.157 10.472 -20.339 1.00 0.00 ATOM 214 O LYS 26 34.692 12.167 -12.700 1.00 0.00 ATOM 215 C LYS 26 35.460 12.818 -13.418 1.00 0.00 ATOM 216 N LYS 27 36.611 13.342 -12.987 1.00 0.00 ATOM 217 CA LYS 27 37.058 13.243 -11.589 1.00 0.00 ATOM 218 CB LYS 27 38.561 13.529 -11.504 1.00 0.00 ATOM 219 CG LYS 27 39.412 12.486 -12.189 1.00 0.00 ATOM 220 CD LYS 27 39.443 11.217 -11.381 1.00 0.00 ATOM 221 CE LYS 27 38.925 10.050 -12.187 1.00 0.00 ATOM 222 NZ LYS 27 38.848 8.804 -11.369 1.00 0.00 ATOM 223 O LYS 27 36.465 14.119 -9.432 1.00 0.00 ATOM 224 C LYS 27 36.305 14.185 -10.660 1.00 0.00 ATOM 225 N GLY 28 35.480 15.045 -11.235 1.00 0.00 ATOM 226 CA GLY 28 34.627 15.919 -10.445 1.00 0.00 ATOM 227 O GLY 28 34.718 17.970 -9.258 1.00 0.00 ATOM 228 C GLY 28 35.263 17.243 -10.075 1.00 0.00 ATOM 229 N LEU 29 36.394 17.578 -10.691 1.00 0.00 ATOM 230 CA LEU 29 37.031 18.860 -10.408 1.00 0.00 ATOM 231 CB LEU 29 38.470 18.855 -10.895 1.00 0.00 ATOM 232 CG LEU 29 39.372 17.902 -10.111 1.00 0.00 ATOM 233 CD1 LEU 29 40.704 17.787 -10.769 1.00 0.00 ATOM 234 CD2 LEU 29 39.534 18.333 -8.679 1.00 0.00 ATOM 235 O LEU 29 35.595 19.786 -12.085 1.00 0.00 ATOM 236 C LEU 29 36.252 19.985 -11.063 1.00 0.00 ATOM 237 N ASP 30 36.301 21.159 -10.444 1.00 0.00 ATOM 238 CA ASP 30 35.618 22.348 -10.945 1.00 0.00 ATOM 239 CB ASP 30 35.281 23.266 -9.775 1.00 0.00 ATOM 240 CG ASP 30 34.354 22.601 -8.786 1.00 0.00 ATOM 241 OD1 ASP 30 33.261 22.203 -9.213 1.00 0.00 ATOM 242 OD2 ASP 30 34.728 22.454 -7.607 1.00 0.00 ATOM 243 O ASP 30 37.666 23.316 -11.666 1.00 0.00 ATOM 244 C ASP 30 36.513 23.058 -11.938 1.00 0.00 ATOM 245 N ARG 31 35.969 23.359 -13.101 1.00 0.00 ATOM 246 CA ARG 31 36.730 24.052 -14.123 1.00 0.00 ATOM 247 CB ARG 31 36.222 23.689 -15.505 1.00 0.00 ATOM 248 CG ARG 31 37.162 24.128 -16.620 1.00 0.00 ATOM 249 CD ARG 31 36.693 23.520 -17.924 1.00 0.00 ATOM 250 NE ARG 31 37.634 23.781 -19.006 1.00 0.00 ATOM 251 CZ ARG 31 37.445 23.359 -20.248 1.00 0.00 ATOM 252 NH1 ARG 31 36.344 22.672 -20.563 1.00 0.00 ATOM 253 NH2 ARG 31 38.341 23.634 -21.185 1.00 0.00 ATOM 254 O ARG 31 35.480 26.081 -13.819 1.00 0.00 ATOM 255 C ARG 31 36.603 25.545 -13.906 1.00 0.00 ATOM 256 N ILE 32 37.744 26.225 -13.817 1.00 0.00 ATOM 257 CA ILE 32 37.664 27.673 -13.593 1.00 0.00 ATOM 258 CB ILE 32 38.229 28.098 -12.241 1.00 0.00 ATOM 259 CG1 ILE 32 39.721 27.802 -12.181 1.00 0.00 ATOM 260 CG2 ILE 32 37.445 27.429 -11.095 1.00 0.00 ATOM 261 CD1 ILE 32 40.411 28.343 -10.909 1.00 0.00 ATOM 262 O ILE 32 38.010 29.718 -14.735 1.00 0.00 ATOM 263 C ILE 32 38.207 28.515 -14.723 1.00 0.00 ATOM 264 N GLN 33 38.822 27.865 -15.702 1.00 0.00 ATOM 265 CA GLN 33 39.264 28.544 -16.919 1.00 0.00 ATOM 266 CB GLN 33 40.566 29.316 -16.651 1.00 0.00 ATOM 267 CG GLN 33 40.967 30.302 -17.750 1.00 0.00 ATOM 268 CD GLN 33 42.046 29.785 -18.713 1.00 0.00 ATOM 269 OE1 GLN 33 42.745 28.805 -18.430 1.00 0.00 ATOM 270 NE2 GLN 33 42.190 30.465 -19.853 1.00 0.00 ATOM 271 O GLN 33 39.447 26.279 -17.648 1.00 0.00 ATOM 272 C GLN 33 39.475 27.465 -17.967 1.00 0.00 ATOM 273 N TYR 34 39.717 27.859 -19.215 1.00 0.00 ATOM 274 CA TYR 34 39.978 26.897 -20.269 1.00 0.00 ATOM 275 CB TYR 34 40.463 27.618 -21.527 1.00 0.00 ATOM 276 CG TYR 34 40.586 26.731 -22.739 1.00 0.00 ATOM 277 CD1 TYR 34 39.463 26.118 -23.297 1.00 0.00 ATOM 278 CD2 TYR 34 41.815 26.539 -23.359 1.00 0.00 ATOM 279 CE1 TYR 34 39.574 25.302 -24.428 1.00 0.00 ATOM 280 CE2 TYR 34 41.938 25.735 -24.480 1.00 0.00 ATOM 281 CZ TYR 34 40.811 25.110 -25.008 1.00 0.00 ATOM 282 OH TYR 34 40.908 24.308 -26.127 1.00 0.00 ATOM 283 O TYR 34 40.776 24.649 -20.186 1.00 0.00 ATOM 284 C TYR 34 40.975 25.814 -19.856 1.00 0.00 ATOM 285 N SER 35 42.035 26.196 -19.137 1.00 0.00 ATOM 286 CA SER 35 43.070 25.234 -18.746 1.00 0.00 ATOM 287 CB SER 35 44.352 25.505 -19.511 1.00 0.00 ATOM 288 OG SER 35 44.771 26.807 -19.193 1.00 0.00 ATOM 289 O SER 35 44.532 25.037 -16.856 1.00 0.00 ATOM 290 C SER 35 43.386 25.254 -17.250 1.00 0.00 ATOM 291 N VAL 36 42.368 25.515 -16.422 1.00 0.00 ATOM 292 CA VAL 36 42.552 25.513 -14.971 1.00 0.00 ATOM 293 CB VAL 36 42.722 26.947 -14.394 1.00 0.00 ATOM 294 CG1 VAL 36 43.091 26.891 -12.926 1.00 0.00 ATOM 295 CG2 VAL 36 43.803 27.725 -15.145 1.00 0.00 ATOM 296 O VAL 36 40.213 25.177 -14.601 1.00 0.00 ATOM 297 C VAL 36 41.367 24.853 -14.292 1.00 0.00 ATOM 298 N PHE 37 41.671 23.956 -13.351 1.00 0.00 ATOM 299 CA PHE 37 40.674 23.254 -12.549 1.00 0.00 ATOM 300 CB PHE 37 40.610 21.756 -12.881 1.00 0.00 ATOM 301 CG PHE 37 39.937 21.430 -14.179 1.00 0.00 ATOM 302 CD1 PHE 37 38.670 20.862 -14.188 1.00 0.00 ATOM 303 CD2 PHE 37 40.597 21.635 -15.384 1.00 0.00 ATOM 304 CE1 PHE 37 38.048 20.496 -15.395 1.00 0.00 ATOM 305 CE2 PHE 37 39.986 21.289 -16.594 1.00 0.00 ATOM 306 CZ PHE 37 38.711 20.728 -16.598 1.00 0.00 ATOM 307 O PHE 37 42.169 23.720 -10.746 1.00 0.00 ATOM 308 C PHE 37 41.029 23.392 -11.089 1.00 0.00 ATOM 309 N MET 38 40.053 23.123 -10.226 1.00 0.00 ATOM 310 CA MET 38 40.331 23.090 -8.801 1.00 0.00 ATOM 311 CB MET 38 40.126 24.468 -8.190 1.00 0.00 ATOM 312 CG MET 38 38.689 24.876 -8.084 1.00 0.00 ATOM 313 SD MET 38 38.539 26.551 -7.490 1.00 0.00 ATOM 314 CE MET 38 39.319 26.413 -5.906 1.00 0.00 ATOM 315 O MET 38 38.294 21.852 -8.642 1.00 0.00 ATOM 316 C MET 38 39.394 22.108 -8.146 1.00 0.00 ATOM 317 N GLY 39 39.831 21.562 -7.025 1.00 0.00 ATOM 318 CA GLY 39 38.915 20.749 -6.230 1.00 0.00 ATOM 319 O GLY 39 40.849 20.032 -5.027 1.00 0.00 ATOM 320 C GLY 39 39.622 20.026 -5.123 1.00 0.00 ATOM 321 N ASP 40 38.833 19.400 -4.272 1.00 0.00 ATOM 322 CA ASP 40 39.367 18.666 -3.132 1.00 0.00 ATOM 323 CB ASP 40 38.303 18.528 -2.043 1.00 0.00 ATOM 324 CG ASP 40 37.927 19.849 -1.418 1.00 0.00 ATOM 325 OD1 ASP 40 38.780 20.765 -1.314 1.00 0.00 ATOM 326 OD2 ASP 40 36.754 19.970 -1.007 1.00 0.00 ATOM 327 O ASP 40 39.053 16.621 -4.354 1.00 0.00 ATOM 328 C ASP 40 39.784 17.278 -3.599 1.00 0.00 ATOM 329 N LEU 41 40.938 16.820 -3.119 1.00 0.00 ATOM 330 CA LEU 41 41.419 15.472 -3.410 1.00 0.00 ATOM 331 CB LEU 41 42.446 15.483 -4.547 1.00 0.00 ATOM 332 CG LEU 41 41.942 15.976 -5.909 1.00 0.00 ATOM 333 CD1 LEU 41 43.123 16.281 -6.829 1.00 0.00 ATOM 334 CD2 LEU 41 40.994 14.981 -6.584 1.00 0.00 ATOM 335 O LEU 41 42.980 15.572 -1.600 1.00 0.00 ATOM 336 C LEU 41 42.083 14.933 -2.165 1.00 0.00 ATOM 337 N ASN 42 41.645 13.760 -1.727 1.00 0.00 ATOM 338 CA ASN 42 42.380 13.025 -0.727 1.00 0.00 ATOM 339 CB ASN 42 41.440 12.094 0.048 1.00 0.00 ATOM 340 CG ASN 42 41.026 10.882 -0.760 1.00 0.00 ATOM 341 ND2 ASN 42 40.662 9.817 -0.088 1.00 0.00 ATOM 342 OD1 ASN 42 41.034 10.913 -1.983 1.00 0.00 ATOM 343 O ASN 42 43.817 12.381 -2.543 1.00 0.00 ATOM 344 C ASN 42 43.536 12.242 -1.359 1.00 0.00 ATOM 345 N SER 43 44.211 11.416 -0.569 1.00 0.00 ATOM 346 CA SER 43 45.380 10.707 -1.074 1.00 0.00 ATOM 347 CB SER 43 46.028 9.904 0.059 1.00 0.00 ATOM 348 OG SER 43 45.097 9.003 0.641 1.00 0.00 ATOM 349 O SER 43 45.714 9.817 -3.264 1.00 0.00 ATOM 350 C SER 43 45.036 9.786 -2.240 1.00 0.00 ATOM 351 N SER 44 43.962 9.014 -2.105 1.00 0.00 ATOM 352 CA SER 44 43.571 8.036 -3.120 1.00 0.00 ATOM 353 CB SER 44 42.371 7.201 -2.622 1.00 0.00 ATOM 354 OG SER 44 42.697 6.480 -1.445 1.00 0.00 ATOM 355 O SER 44 43.622 8.352 -5.527 1.00 0.00 ATOM 356 C SER 44 43.199 8.744 -4.416 1.00 0.00 ATOM 357 N ARG 45 42.416 9.810 -4.290 1.00 0.00 ATOM 358 CA ARG 45 41.945 10.496 -5.482 1.00 0.00 ATOM 359 CB ARG 45 40.737 11.366 -5.171 1.00 0.00 ATOM 360 CG ARG 45 39.548 10.506 -4.752 1.00 0.00 ATOM 361 CD ARG 45 38.274 11.288 -4.578 1.00 0.00 ATOM 362 NE ARG 45 37.865 12.041 -5.759 1.00 0.00 ATOM 363 CZ ARG 45 37.641 13.355 -5.764 1.00 0.00 ATOM 364 NH1 ARG 45 37.785 14.070 -4.652 1.00 0.00 ATOM 365 NH2 ARG 45 37.277 13.970 -6.879 1.00 0.00 ATOM 366 O ARG 45 43.161 11.330 -7.353 1.00 0.00 ATOM 367 C ARG 45 43.063 11.295 -6.134 1.00 0.00 ATOM 368 N LEU 46 43.941 11.899 -5.336 1.00 0.00 ATOM 369 CA LEU 46 45.113 12.579 -5.911 1.00 0.00 ATOM 370 CB LEU 46 45.910 13.302 -4.817 1.00 0.00 ATOM 371 CG LEU 46 47.173 14.048 -5.267 1.00 0.00 ATOM 372 CD1 LEU 46 46.836 15.164 -6.269 1.00 0.00 ATOM 373 CD2 LEU 46 47.937 14.588 -4.049 1.00 0.00 ATOM 374 O LEU 46 46.441 11.926 -7.825 1.00 0.00 ATOM 375 C LEU 46 45.996 11.611 -6.709 1.00 0.00 ATOM 376 N LYS 47 46.221 10.419 -6.153 1.00 0.00 ATOM 377 CA LYS 47 47.027 9.422 -6.834 1.00 0.00 ATOM 378 CB LYS 47 47.184 8.189 -5.944 1.00 0.00 ATOM 379 CG LYS 47 48.250 8.320 -4.887 1.00 0.00 ATOM 380 CD LYS 47 48.574 6.967 -4.283 1.00 0.00 ATOM 381 CE LYS 47 49.121 7.110 -2.882 1.00 0.00 ATOM 382 NZ LYS 47 48.002 7.164 -1.900 1.00 0.00 ATOM 383 O LYS 47 47.113 8.853 -9.160 1.00 0.00 ATOM 384 C LYS 47 46.404 9.028 -8.166 1.00 0.00 ATOM 385 N ASP 48 45.082 8.864 -8.186 1.00 0.00 ATOM 386 CA ASP 48 44.397 8.498 -9.413 1.00 0.00 ATOM 387 CB ASP 48 42.925 8.155 -9.148 1.00 0.00 ATOM 388 CG ASP 48 42.143 7.934 -10.451 1.00 0.00 ATOM 389 OD1 ASP 48 42.098 6.793 -10.923 1.00 0.00 ATOM 390 OD2 ASP 48 41.640 8.928 -11.027 1.00 0.00 ATOM 391 O ASP 48 44.745 9.348 -11.635 1.00 0.00 ATOM 392 C ASP 48 44.513 9.612 -10.459 1.00 0.00 ATOM 393 N VAL 49 44.350 10.859 -10.030 1.00 0.00 ATOM 394 CA VAL 49 44.471 11.992 -10.931 1.00 0.00 ATOM 395 CB VAL 49 44.106 13.314 -10.199 1.00 0.00 ATOM 396 CG1 VAL 49 44.538 14.529 -11.012 1.00 0.00 ATOM 397 CG2 VAL 49 42.600 13.385 -9.909 1.00 0.00 ATOM 398 O VAL 49 46.046 12.161 -12.718 1.00 0.00 ATOM 399 C VAL 49 45.880 12.044 -11.509 1.00 0.00 ATOM 400 N GLU 50 46.887 11.935 -10.647 1.00 0.00 ATOM 401 CA GLU 50 48.265 12.005 -11.088 1.00 0.00 ATOM 402 CB GLU 50 49.205 11.965 -9.887 1.00 0.00 ATOM 403 CG GLU 50 50.660 12.171 -10.228 1.00 0.00 ATOM 404 CD GLU 50 51.540 12.126 -9.003 1.00 0.00 ATOM 405 OE1 GLU 50 50.998 11.992 -7.877 1.00 0.00 ATOM 406 OE2 GLU 50 52.775 12.220 -9.169 1.00 0.00 ATOM 407 O GLU 50 49.171 11.112 -13.134 1.00 0.00 ATOM 408 C GLU 50 48.572 10.875 -12.070 1.00 0.00 ATOM 409 N ALA 51 48.150 9.654 -11.739 1.00 0.00 ATOM 410 CA ALA 51 48.420 8.523 -12.633 1.00 0.00 ATOM 411 CB ALA 51 47.965 7.224 -12.013 1.00 0.00 ATOM 412 O ALA 51 48.383 8.374 -15.023 1.00 0.00 ATOM 413 C ALA 51 47.770 8.701 -14.001 1.00 0.00 ATOM 414 N GLY 52 46.533 9.191 -14.018 1.00 0.00 ATOM 415 CA GLY 52 45.811 9.390 -15.277 1.00 0.00 ATOM 416 O GLY 52 46.601 10.301 -17.354 1.00 0.00 ATOM 417 C GLY 52 46.469 10.454 -16.136 1.00 0.00 ATOM 418 N LEU 53 46.873 11.551 -15.504 1.00 0.00 ATOM 419 CA LEU 53 47.516 12.629 -16.251 1.00 0.00 ATOM 420 CB LEU 53 47.681 13.863 -15.367 1.00 0.00 ATOM 421 CG LEU 53 46.363 14.513 -14.929 1.00 0.00 ATOM 422 CD1 LEU 53 46.630 15.612 -13.916 1.00 0.00 ATOM 423 CD2 LEU 53 45.565 15.046 -16.127 1.00 0.00 ATOM 424 O LEU 53 49.216 12.516 -17.941 1.00 0.00 ATOM 425 C LEU 53 48.859 12.170 -16.809 1.00 0.00 ATOM 426 N LYS 54 49.610 11.394 -16.031 1.00 0.00 ATOM 427 CA LYS 54 50.878 10.872 -16.538 1.00 0.00 ATOM 428 CB LYS 54 51.653 10.131 -15.461 1.00 0.00 ATOM 429 CG LYS 54 52.263 11.047 -14.435 1.00 0.00 ATOM 430 CD LYS 54 52.963 10.230 -13.365 1.00 0.00 ATOM 431 CE LYS 54 53.183 11.058 -12.127 1.00 0.00 ATOM 432 NZ LYS 54 53.856 12.342 -12.415 1.00 0.00 ATOM 433 O LYS 54 51.458 10.017 -18.698 1.00 0.00 ATOM 434 C LYS 54 50.667 9.968 -17.748 1.00 0.00 ATOM 435 N ILE 55 49.607 9.159 -17.739 1.00 0.00 ATOM 436 CA ILE 55 49.306 8.293 -18.888 1.00 0.00 ATOM 437 CB ILE 55 48.110 7.373 -18.600 1.00 0.00 ATOM 438 CG1 ILE 55 48.551 6.298 -17.610 1.00 0.00 ATOM 439 CG2 ILE 55 47.513 6.783 -19.914 1.00 0.00 ATOM 440 CD1 ILE 55 47.408 5.603 -16.928 1.00 0.00 ATOM 441 O ILE 55 49.521 8.831 -21.208 1.00 0.00 ATOM 442 C ILE 55 49.024 9.126 -20.125 1.00 0.00 ATOM 443 N ILE 56 48.244 10.184 -19.964 1.00 0.00 ATOM 444 CA ILE 56 47.957 11.059 -21.100 1.00 0.00 ATOM 445 CB ILE 56 46.906 12.134 -20.732 1.00 0.00 ATOM 446 CG1 ILE 56 45.584 11.457 -20.342 1.00 0.00 ATOM 447 CG2 ILE 56 46.690 13.131 -21.879 1.00 0.00 ATOM 448 CD1 ILE 56 44.609 12.366 -19.606 1.00 0.00 ATOM 449 O ILE 56 49.382 11.789 -22.885 1.00 0.00 ATOM 450 C ILE 56 49.242 11.661 -21.668 1.00 0.00 ATOM 451 N GLY 57 50.187 12.005 -20.794 1.00 0.00 ATOM 452 CA GLY 57 51.474 12.532 -21.240 1.00 0.00 ATOM 453 O GLY 57 53.703 11.860 -21.784 1.00 0.00 ATOM 454 C GLY 57 52.537 11.496 -21.571 1.00 0.00 ATOM 455 N ASN 58 52.160 10.218 -21.638 1.00 0.00 ATOM 456 CA ASN 58 53.171 9.158 -21.817 1.00 0.00 ATOM 457 CB ASN 58 52.760 7.844 -21.124 1.00 0.00 ATOM 458 CG ASN 58 53.864 6.788 -21.132 1.00 0.00 ATOM 459 ND2 ASN 58 53.465 5.532 -20.978 1.00 0.00 ATOM 460 OD1 ASN 58 55.052 7.091 -21.278 1.00 0.00 ATOM 461 O ASN 58 53.144 7.958 -23.916 1.00 0.00 ATOM 462 C ASN 58 53.487 8.969 -23.291 1.00 0.00 ATOM 463 N ARG 59 54.136 9.986 -23.836 1.00 0.00 ATOM 464 CA ARG 59 54.590 9.970 -25.212 1.00 0.00 ATOM 465 CB ARG 59 53.453 10.319 -26.178 1.00 0.00 ATOM 466 CG ARG 59 52.858 11.710 -26.016 1.00 0.00 ATOM 467 CD ARG 59 51.806 11.962 -27.091 1.00 0.00 ATOM 468 NE ARG 59 50.647 11.086 -26.933 1.00 0.00 ATOM 469 CZ ARG 59 49.734 10.850 -27.875 1.00 0.00 ATOM 470 NH1 ARG 59 49.832 11.422 -29.071 1.00 0.00 ATOM 471 NH2 ARG 59 48.721 10.035 -27.621 1.00 0.00 ATOM 472 O ARG 59 56.133 11.630 -24.425 1.00 0.00 ATOM 473 C ARG 59 55.759 10.923 -25.369 1.00 0.00 ATOM 474 N LYS 60 56.338 10.931 -26.562 1.00 0.00 ATOM 475 CA LYS 60 57.451 11.815 -26.834 1.00 0.00 ATOM 476 CB LYS 60 58.612 11.067 -27.505 1.00 0.00 ATOM 477 CG LYS 60 58.252 10.272 -28.756 1.00 0.00 ATOM 478 CD LYS 60 59.502 9.682 -29.398 1.00 0.00 ATOM 479 CE LYS 60 59.184 8.971 -30.709 1.00 0.00 ATOM 480 NZ LYS 60 60.391 8.336 -31.310 1.00 0.00 ATOM 481 O LYS 60 56.214 12.849 -28.619 1.00 0.00 ATOM 482 C LYS 60 56.996 12.998 -27.671 1.00 0.00 ATOM 483 N LYS 61 57.484 14.170 -27.284 1.00 0.00 ATOM 484 CA LYS 61 57.299 15.404 -28.017 1.00 0.00 ATOM 485 CB LYS 61 58.067 16.492 -27.287 1.00 0.00 ATOM 486 CG LYS 61 57.900 17.863 -27.872 1.00 0.00 ATOM 487 CD LYS 61 58.763 18.872 -27.143 1.00 0.00 ATOM 488 CE LYS 61 58.338 19.026 -25.692 1.00 0.00 ATOM 489 NZ LYS 61 58.703 20.356 -25.180 1.00 0.00 ATOM 490 O LYS 61 58.953 14.685 -29.602 1.00 0.00 ATOM 491 C LYS 61 57.867 15.247 -29.433 1.00 0.00 ATOM 492 N LEU 62 57.139 15.738 -30.436 1.00 0.00 ATOM 493 CA LEU 62 57.546 15.605 -31.845 1.00 0.00 ATOM 494 CB LEU 62 56.426 14.944 -32.659 1.00 0.00 ATOM 495 CG LEU 62 56.131 13.451 -32.453 1.00 0.00 ATOM 496 CD1 LEU 62 54.800 13.081 -33.089 1.00 0.00 ATOM 497 CD2 LEU 62 57.244 12.573 -33.016 1.00 0.00 ATOM 498 O LEU 62 58.672 16.844 -33.588 1.00 0.00 ATOM 499 C LEU 62 58.004 16.900 -32.547 1.00 0.00 ATOM 500 N GLN 63 57.657 18.049 -31.976 1.00 0.00 ATOM 501 CA GLN 63 58.093 19.331 -32.523 1.00 0.00 ATOM 502 CB GLN 63 57.006 19.928 -33.420 1.00 0.00 ATOM 503 NE2 GLN 63 58.434 22.909 -35.128 1.00 0.00 ATOM 504 O GLN 63 57.777 20.415 -30.406 1.00 0.00 ATOM 505 C GLN 63 58.466 20.319 -31.422 1.00 0.00 ATOM 506 N GLU 64 59.557 21.051 -31.627 1.00 0.00 ATOM 507 CA GLU 64 60.201 21.792 -30.521 1.00 0.00 ATOM 508 CB GLU 64 61.466 22.547 -30.984 1.00 0.00 ATOM 509 CG GLU 64 61.265 23.642 -32.083 1.00 0.00 ATOM 510 CD GLU 64 61.480 23.124 -33.488 1.00 0.00 ATOM 511 OE1 GLU 64 61.974 23.899 -34.344 1.00 0.00 ATOM 512 OE2 GLU 64 61.154 21.938 -33.732 1.00 0.00 ATOM 513 O GLU 64 59.455 22.910 -28.560 1.00 0.00 ATOM 514 C GLU 64 59.274 22.722 -29.753 1.00 0.00 ATOM 515 N ASP 65 58.266 23.267 -30.428 1.00 0.00 ATOM 516 CA ASP 65 57.353 24.218 -29.782 1.00 0.00 ATOM 517 CB ASP 65 56.872 25.270 -30.780 1.00 0.00 ATOM 518 CG ASP 65 58.007 26.013 -31.447 1.00 0.00 ATOM 519 OD1 ASP 65 58.979 26.397 -30.761 1.00 0.00 ATOM 520 OD2 ASP 65 57.918 26.205 -32.675 1.00 0.00 ATOM 521 O ASP 65 55.271 24.291 -28.625 1.00 0.00 ATOM 522 C ASP 65 56.133 23.582 -29.138 1.00 0.00 ATOM 523 N GLU 66 56.053 22.260 -29.173 1.00 0.00 ATOM 524 CA GLU 66 54.963 21.520 -28.511 1.00 0.00 ATOM 525 CB GLU 66 54.967 20.091 -29.038 1.00 0.00 ATOM 526 CG GLU 66 53.799 19.192 -28.729 1.00 0.00 ATOM 527 CD GLU 66 54.034 17.779 -29.273 1.00 0.00 ATOM 528 OE1 GLU 66 54.813 17.613 -30.234 1.00 0.00 ATOM 529 OE2 GLU 66 53.433 16.829 -28.731 1.00 0.00 ATOM 530 O GLU 66 56.392 21.349 -26.593 1.00 0.00 ATOM 531 C GLU 66 55.244 21.520 -27.019 1.00 0.00 ATOM 532 N ARG 67 54.206 21.725 -26.218 1.00 0.00 ATOM 533 CA ARG 67 54.381 21.687 -24.774 1.00 0.00 ATOM 534 CB ARG 67 54.297 23.079 -24.160 1.00 0.00 ATOM 535 CG ARG 67 55.379 24.035 -24.672 1.00 0.00 ATOM 536 CD ARG 67 55.316 25.388 -23.936 1.00 0.00 ATOM 537 NE ARG 67 53.990 26.006 -24.051 1.00 0.00 ATOM 538 CZ ARG 67 53.544 26.674 -25.113 1.00 0.00 ATOM 539 NH1 ARG 67 54.317 26.867 -26.179 1.00 0.00 ATOM 540 NH2 ARG 67 52.311 27.151 -25.115 1.00 0.00 ATOM 541 O ARG 67 52.192 20.761 -24.639 1.00 0.00 ATOM 542 C ARG 67 53.327 20.813 -24.157 1.00 0.00 ATOM 543 N PHE 68 53.720 20.114 -23.102 1.00 0.00 ATOM 544 CA PHE 68 52.764 19.384 -22.277 1.00 0.00 ATOM 545 CB PHE 68 52.733 17.888 -22.640 1.00 0.00 ATOM 546 CG PHE 68 51.687 17.093 -21.896 1.00 0.00 ATOM 547 CD1 PHE 68 50.486 16.759 -22.517 1.00 0.00 ATOM 548 CD2 PHE 68 51.893 16.673 -20.576 1.00 0.00 ATOM 549 CE1 PHE 68 49.512 16.021 -21.855 1.00 0.00 ATOM 550 CE2 PHE 68 50.921 15.936 -19.907 1.00 0.00 ATOM 551 CZ PHE 68 49.723 15.611 -20.554 1.00 0.00 ATOM 552 O PHE 68 54.241 19.041 -20.425 1.00 0.00 ATOM 553 C PHE 68 53.217 19.590 -20.842 1.00 0.00 ATOM 554 N PHE 69 52.457 20.382 -20.090 1.00 0.00 ATOM 555 CA PHE 69 52.852 20.748 -18.730 1.00 0.00 ATOM 556 CB PHE 69 53.545 22.106 -18.746 1.00 0.00 ATOM 557 CG PHE 69 53.828 22.667 -17.371 1.00 0.00 ATOM 558 CD1 PHE 69 54.929 22.229 -16.655 1.00 0.00 ATOM 559 CD2 PHE 69 52.979 23.612 -16.798 1.00 0.00 ATOM 560 CE1 PHE 69 55.211 22.743 -15.374 1.00 0.00 ATOM 561 CE2 PHE 69 53.264 24.130 -15.493 1.00 0.00 ATOM 562 CZ PHE 69 54.381 23.686 -14.811 1.00 0.00 ATOM 563 O PHE 69 50.638 21.494 -18.247 1.00 0.00 ATOM 564 C PHE 69 51.613 20.833 -17.872 1.00 0.00 ATOM 565 N ILE 70 51.644 20.134 -16.742 1.00 0.00 ATOM 566 CA ILE 70 50.561 20.215 -15.763 1.00 0.00 ATOM 567 CB ILE 70 49.733 18.914 -15.690 1.00 0.00 ATOM 568 CG1 ILE 70 49.281 18.505 -17.091 1.00 0.00 ATOM 569 CG2 ILE 70 48.561 19.083 -14.710 1.00 0.00 ATOM 570 CD1 ILE 70 48.660 17.128 -17.167 1.00 0.00 ATOM 571 O ILE 70 52.163 19.810 -14.023 1.00 0.00 ATOM 572 C ILE 70 51.185 20.478 -14.402 1.00 0.00 ATOM 573 N LEU 71 50.645 21.455 -13.680 1.00 0.00 ATOM 574 CA LEU 71 51.118 21.782 -12.332 1.00 0.00 ATOM 575 CB LEU 71 51.595 23.231 -12.319 1.00 0.00 ATOM 576 CG LEU 71 52.005 23.834 -10.988 1.00 0.00 ATOM 577 CD1 LEU 71 53.131 23.071 -10.358 1.00 0.00 ATOM 578 CD2 LEU 71 52.413 25.291 -11.218 1.00 0.00 ATOM 579 O LEU 71 48.877 22.214 -11.567 1.00 0.00 ATOM 580 C LEU 71 49.938 21.605 -11.373 1.00 0.00 ATOM 581 N ILE 72 50.120 20.755 -10.363 1.00 0.00 ATOM 582 CA ILE 72 49.114 20.533 -9.322 1.00 0.00 ATOM 583 CB ILE 72 48.845 19.029 -9.132 1.00 0.00 ATOM 584 CG1 ILE 72 48.397 18.400 -10.466 1.00 0.00 ATOM 585 CG2 ILE 72 47.795 18.781 -8.043 1.00 0.00 ATOM 586 CD1 ILE 72 48.349 16.876 -10.415 1.00 0.00 ATOM 587 O ILE 72 50.773 20.676 -7.601 1.00 0.00 ATOM 588 C ILE 72 49.686 21.087 -8.011 1.00 0.00 ATOM 589 N VAL 73 48.985 22.024 -7.375 1.00 0.00 ATOM 590 CA VAL 73 49.485 22.648 -6.135 1.00 0.00 ATOM 591 CB VAL 73 50.087 24.060 -6.396 1.00 0.00 ATOM 592 CG1 VAL 73 49.080 25.019 -6.964 1.00 0.00 ATOM 593 CG2 VAL 73 50.741 24.641 -5.150 1.00 0.00 ATOM 594 O VAL 73 47.276 23.104 -5.380 1.00 0.00 ATOM 595 C VAL 73 48.390 22.715 -5.082 1.00 0.00 ATOM 596 N PRO 74 48.702 22.303 -3.845 1.00 0.00 ATOM 597 CA PRO 74 47.707 22.457 -2.792 1.00 0.00 ATOM 598 CB PRO 74 48.304 21.679 -1.617 1.00 0.00 ATOM 599 CG PRO 74 49.756 21.626 -1.883 1.00 0.00 ATOM 600 CD PRO 74 49.962 21.707 -3.371 1.00 0.00 ATOM 601 O PRO 74 48.508 24.662 -2.351 1.00 0.00 ATOM 602 C PRO 74 47.529 23.919 -2.429 1.00 0.00 ATOM 603 N ILE 75 46.281 24.323 -2.225 1.00 0.00 ATOM 604 CA ILE 75 45.980 25.681 -1.777 1.00 0.00 ATOM 605 CB ILE 75 45.535 26.589 -2.932 1.00 0.00 ATOM 606 CG1 ILE 75 44.313 26.002 -3.641 1.00 0.00 ATOM 607 CG2 ILE 75 46.699 26.834 -3.897 1.00 0.00 ATOM 608 CD1 ILE 75 43.503 27.042 -4.387 1.00 0.00 ATOM 609 O ILE 75 44.300 24.523 -0.516 1.00 0.00 ATOM 610 C ILE 75 44.873 25.591 -0.730 1.00 0.00 ATOM 611 N THR 76 44.579 26.692 -0.063 1.00 0.00 ATOM 612 CA THR 76 43.432 26.710 0.846 1.00 0.00 ATOM 613 CB THR 76 43.791 27.352 2.188 1.00 0.00 ATOM 614 CG2 THR 76 44.966 26.618 2.887 1.00 0.00 ATOM 615 OG1 THR 76 44.133 28.721 1.970 1.00 0.00 ATOM 616 O THR 76 42.510 28.319 -0.682 1.00 0.00 ATOM 617 C THR 76 42.295 27.513 0.234 1.00 0.00 ATOM 618 N GLU 77 41.085 27.304 0.741 1.00 0.00 ATOM 619 CA GLU 77 39.953 28.095 0.294 1.00 0.00 ATOM 620 CB GLU 77 38.651 27.665 0.987 1.00 0.00 ATOM 621 CG GLU 77 38.172 26.269 0.593 1.00 0.00 ATOM 622 CD GLU 77 37.505 26.187 -0.789 1.00 0.00 ATOM 623 OE1 GLU 77 37.370 27.221 -1.475 1.00 0.00 ATOM 624 OE2 GLU 77 37.103 25.070 -1.192 1.00 0.00 ATOM 625 O GLU 77 39.825 30.384 -0.355 1.00 0.00 ATOM 626 C GLU 77 40.208 29.587 0.488 1.00 0.00 ATOM 627 N ASN 78 40.828 29.983 1.603 1.00 0.00 ATOM 628 CA ASN 78 41.118 31.407 1.762 1.00 0.00 ATOM 629 CB ASN 78 41.641 31.763 3.143 1.00 0.00 ATOM 630 CG ASN 78 41.943 33.257 3.265 1.00 0.00 ATOM 631 ND2 ASN 78 43.198 33.579 3.565 1.00 0.00 ATOM 632 OD1 ASN 78 41.061 34.114 3.063 1.00 0.00 ATOM 633 O ASN 78 41.874 33.024 0.167 1.00 0.00 ATOM 634 C ASN 78 42.082 31.932 0.716 1.00 0.00 ATOM 635 N GLN 79 43.141 31.176 0.436 1.00 0.00 ATOM 636 CA GLN 79 44.056 31.619 -0.606 1.00 0.00 ATOM 637 CB GLN 79 45.224 30.661 -0.757 1.00 0.00 ATOM 638 CG GLN 79 46.206 30.745 0.397 1.00 0.00 ATOM 639 CD GLN 79 47.174 29.603 0.413 1.00 0.00 ATOM 640 OE1 GLN 79 46.865 28.529 -0.079 1.00 0.00 ATOM 641 NE2 GLN 79 48.365 29.831 0.951 1.00 0.00 ATOM 642 O GLN 79 43.565 32.745 -2.651 1.00 0.00 ATOM 643 C GLN 79 43.333 31.776 -1.926 1.00 0.00 ATOM 644 N PHE 80 42.446 30.838 -2.247 1.00 0.00 ATOM 645 CA PHE 80 41.707 30.976 -3.492 1.00 0.00 ATOM 646 CB PHE 80 40.875 29.735 -3.803 1.00 0.00 ATOM 647 CG PHE 80 40.285 29.756 -5.175 1.00 0.00 ATOM 648 CD1 PHE 80 41.097 29.535 -6.285 1.00 0.00 ATOM 649 CD2 PHE 80 38.934 30.009 -5.360 1.00 0.00 ATOM 650 CE1 PHE 80 40.568 29.561 -7.562 1.00 0.00 ATOM 651 CE2 PHE 80 38.388 30.035 -6.646 1.00 0.00 ATOM 652 CZ PHE 80 39.210 29.810 -7.745 1.00 0.00 ATOM 653 O PHE 80 40.721 32.925 -4.480 1.00 0.00 ATOM 654 C PHE 80 40.823 32.225 -3.471 1.00 0.00 ATOM 655 N ARG 81 40.187 32.523 -2.336 1.00 0.00 ATOM 656 CA ARG 81 39.382 33.738 -2.246 1.00 0.00 ATOM 657 CB ARG 81 38.628 33.783 -0.897 1.00 0.00 ATOM 658 CG ARG 81 37.381 32.897 -0.863 1.00 0.00 ATOM 659 CD ARG 81 36.495 33.144 0.376 1.00 0.00 ATOM 660 NE ARG 81 37.190 32.773 1.603 1.00 0.00 ATOM 661 CZ ARG 81 37.120 31.579 2.189 1.00 0.00 ATOM 662 NH1 ARG 81 37.791 31.357 3.313 1.00 0.00 ATOM 663 NH2 ARG 81 36.383 30.608 1.662 1.00 0.00 ATOM 664 O ARG 81 39.651 36.039 -2.842 1.00 0.00 ATOM 665 C ARG 81 40.203 35.011 -2.457 1.00 0.00 ATOM 666 N GLU 82 41.507 34.924 -2.189 1.00 0.00 ATOM 667 CA GLU 82 42.444 36.044 -2.339 1.00 0.00 ATOM 668 CB GLU 82 43.579 35.914 -1.311 1.00 0.00 ATOM 669 CG GLU 82 43.148 36.095 0.140 1.00 0.00 ATOM 670 CD GLU 82 44.203 35.646 1.143 1.00 0.00 ATOM 671 OE1 GLU 82 45.035 34.766 0.834 1.00 0.00 ATOM 672 OE2 GLU 82 44.189 36.159 2.276 1.00 0.00 ATOM 673 O GLU 82 43.895 36.995 -3.990 1.00 0.00 ATOM 674 C GLU 82 43.046 36.142 -3.738 1.00 0.00 ATOM 675 N ARG 83 42.606 35.284 -4.648 1.00 0.00 ATOM 676 CA ARG 83 43.165 35.272 -5.993 1.00 0.00 ATOM 677 CB ARG 83 42.600 34.096 -6.773 1.00 0.00 ATOM 678 CG ARG 83 41.191 34.321 -7.277 1.00 0.00 ATOM 679 CD ARG 83 40.581 33.020 -7.720 1.00 0.00 ATOM 680 NE ARG 83 39.186 33.169 -8.147 1.00 0.00 ATOM 681 CZ ARG 83 38.147 33.292 -7.322 1.00 0.00 ATOM 682 NH1 ARG 83 36.921 33.408 -7.820 1.00 0.00 ATOM 683 NH2 ARG 83 38.329 33.309 -6.003 1.00 0.00 ATOM 684 O ARG 83 41.869 37.245 -6.424 1.00 0.00 ATOM 685 C ARG 83 42.839 36.561 -6.732 1.00 0.00 ATOM 686 N ILE 84 43.675 36.876 -7.711 1.00 0.00 ATOM 687 CA ILE 84 43.411 37.977 -8.616 1.00 0.00 ATOM 688 CB ILE 84 44.546 39.038 -8.547 1.00 0.00 ATOM 689 CG1 ILE 84 44.659 39.626 -7.133 1.00 0.00 ATOM 690 CG2 ILE 84 44.345 40.143 -9.608 1.00 0.00 ATOM 691 CD1 ILE 84 46.000 40.318 -6.871 1.00 0.00 ATOM 692 O ILE 84 44.240 36.641 -10.412 1.00 0.00 ATOM 693 C ILE 84 43.340 37.366 -10.010 1.00 0.00 ATOM 694 N VAL 85 42.269 37.670 -10.730 1.00 0.00 ATOM 695 CA VAL 85 42.103 37.218 -12.100 1.00 0.00 ATOM 696 CB VAL 85 40.805 36.417 -12.277 1.00 0.00 ATOM 697 CG1 VAL 85 40.556 36.141 -13.745 1.00 0.00 ATOM 698 CG2 VAL 85 40.865 35.107 -11.496 1.00 0.00 ATOM 699 O VAL 85 41.358 39.413 -12.751 1.00 0.00 ATOM 700 C VAL 85 42.092 38.446 -13.001 1.00 0.00 ATOM 701 N ILE 86 42.949 38.402 -14.017 1.00 0.00 ATOM 702 CA ILE 86 43.060 39.475 -15.005 1.00 0.00 ATOM 703 CB ILE 86 44.453 40.122 -14.949 1.00 0.00 ATOM 704 CG1 ILE 86 44.642 40.679 -13.533 1.00 0.00 ATOM 705 CG2 ILE 86 44.612 41.221 -16.020 1.00 0.00 ATOM 706 CD1 ILE 86 46.012 41.122 -13.211 1.00 0.00 ATOM 707 O ILE 86 43.176 37.865 -16.765 1.00 0.00 ATOM 708 C ILE 86 42.732 38.944 -16.384 1.00 0.00 ATOM 709 N GLY 87 41.925 39.710 -17.101 1.00 0.00 ATOM 710 CA GLY 87 41.505 39.337 -18.440 1.00 0.00 ATOM 711 O GLY 87 42.135 41.594 -18.932 1.00 0.00 ATOM 712 C GLY 87 41.560 40.563 -19.323 1.00 0.00 ATOM 713 N TYR 88 40.971 40.459 -20.511 1.00 0.00 ATOM 714 CA TYR 88 40.837 41.607 -21.398 1.00 0.00 ATOM 715 CB TYR 88 40.231 41.173 -22.740 1.00 0.00 ATOM 716 CG TYR 88 41.200 40.572 -23.752 1.00 0.00 ATOM 717 CD1 TYR 88 42.294 41.301 -24.218 1.00 0.00 ATOM 718 CD2 TYR 88 41.001 39.288 -24.272 1.00 0.00 ATOM 719 CE1 TYR 88 43.172 40.769 -25.156 1.00 0.00 ATOM 720 CE2 TYR 88 41.880 38.745 -25.225 1.00 0.00 ATOM 721 CZ TYR 88 42.959 39.501 -25.659 1.00 0.00 ATOM 722 OH TYR 88 43.851 39.006 -26.582 1.00 0.00 ATOM 723 O TYR 88 38.929 42.266 -20.086 1.00 0.00 ATOM 724 C TYR 88 39.935 42.634 -20.709 1.00 0.00 ATOM 725 N SER 89 40.304 43.912 -20.805 1.00 0.00 ATOM 726 CA SER 89 39.540 45.001 -20.174 1.00 0.00 ATOM 727 CB SER 89 40.033 45.218 -18.741 1.00 0.00 ATOM 728 OG SER 89 41.285 45.894 -18.738 1.00 0.00 ATOM 729 O SER 89 40.125 46.369 -22.070 1.00 0.00 ATOM 730 C SER 89 39.639 46.317 -20.941 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 T0377.undertaker-align.pdb looking for model 1 # WARNING: incomplete conformation T0377 can't currently be optimized by undertaker # command:# naming current conformation align1 # command:# fraction of real conformation used = 0.852 # GDT_score = -69.034 # GDT_score(maxd=8.000,maxw=2.900)= -70.299 # GDT_score(maxd=8.000,maxw=3.200)= -69.030 # GDT_score(maxd=8.000,maxw=3.500)= -67.623 # GDT_score(maxd=10.000,maxw=3.800)= -68.751 # GDT_score(maxd=10.000,maxw=4.000)= -67.781 # GDT_score(maxd=10.000,maxw=4.200)= -66.706 # GDT_score(maxd=12.000,maxw=4.300)= -68.479 # GDT_score(maxd=12.000,maxw=4.500)= -67.408 # GDT_score(maxd=12.000,maxw=4.700)= -66.241 # GDT_score(maxd=14.000,maxw=5.200)= -65.336 # GDT_score(maxd=14.000,maxw=5.500)= -63.292 # command:# ReadConformPDB reading from PDB file T0377.undertaker-align.pdb looking for model 2 # WARNING: incomplete conformation T0377 can't currently be optimized by undertaker # command:# naming current conformation align2 # command:# fraction of real conformation used = 0.977 # GDT_score = -97.727 # GDT_score(maxd=8.000,maxw=2.900)= -97.727 # GDT_score(maxd=8.000,maxw=3.200)= -97.727 # GDT_score(maxd=8.000,maxw=3.500)= -97.727 # GDT_score(maxd=10.000,maxw=3.800)= -97.727 # GDT_score(maxd=10.000,maxw=4.000)= -97.727 # GDT_score(maxd=10.000,maxw=4.200)= -97.727 # GDT_score(maxd=12.000,maxw=4.300)= -97.727 # GDT_score(maxd=12.000,maxw=4.500)= -97.727 # GDT_score(maxd=12.000,maxw=4.700)= -97.727 # GDT_score(maxd=14.000,maxw=5.200)= -97.727 # GDT_score(maxd=14.000,maxw=5.500)= -97.727 # command:# ReadConformPDB reading from PDB file T0377.undertaker-align.pdb looking for model 3 # WARNING: incomplete conformation T0377 can't currently be optimized by undertaker # command:# naming current conformation align3 # command:# ReadConformPDB reading from PDB file T0377.undertaker-align.pdb looking for model 4 # WARNING: incomplete conformation T0377 can't currently be optimized by undertaker # command:# naming current conformation align4 # command:# ReadConformPDB reading from PDB file T0377.undertaker-align.pdb looking for model 5 # WARNING: incomplete conformation T0377 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 T0377.try1-opt1-scwrl.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0377.try1-opt1.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0377.try1-opt2.gromacs0.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0377.try1-opt2.gromacs0.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0377.try1-opt2.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0377.try1-opt2.repack-nonPC.pdb.gz looking for model 1 # Found a chain break before 98 # copying to AlignedFragments data structure # command:CPU_time= 12.169 sec, elapsed time= 34.698 sec) # command:# Prefix for output files set to decoys/ # command:# Will now start reporting costs to decoys/evaluate.predburial.rdb # command:# CostConform T0377.try1-opt2.repack-nonPC.pdb.gz costs 317.837 real_cost = -267.082 T0377.try1-opt2.pdb.gz costs 312.958 real_cost = -273.081 T0377.try1-opt2.gromacs0.repack-nonPC.pdb.gz costs 325.967 real_cost = -266.057 T0377.try1-opt2.gromacs0.pdb.gz costs 323.414 real_cost = -271.672 T0377.try1-opt1.pdb.gz costs 318.664 real_cost = -273.808 T0377.try1-opt1-scwrl.pdb.gz costs 321.286 real_cost = -274.516 align5 costs 1051.236 real_cost = 240.592 align4 costs 804.443 real_cost = 208.914 align3 costs 857.857 real_cost = 195.713 align2 costs 553.907 real_cost = -574.338 align1 costs 804.597 real_cost = -45.454 T0377.try1-opt2.pdb costs 312.958 real_cost = -273.077 model5-scwrl costs 463.255 real_cost = -581.277 model4-scwrl costs 463.255 real_cost = -581.277 model3-scwrl costs 463.255 real_cost = -581.277 model2-scwrl costs 463.255 real_cost = -581.277 model1-scwrl costs 463.824 real_cost = -581.094 2ivyA costs 460.847 real_cost = -873.000 # command:CPU_time= 16.041 sec, elapsed time= 45.706 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/T0377'