data_1a6m-assembly-1_atom_site # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num _atom_site.pdbe_label_seq_id _atom_site.orig_label_asym_id _atom_site.orig_auth_asym_id ATOM 1 N N . VAL A 1 1 ? -4.004 15.224 13.636 1.0 32.64 ? 1 VAL A N 1 1 . A ATOM 2 C CA . VAL A 1 1 ? -3.526 15.758 14.900 1.0 18.42 ? 1 VAL A CA 1 1 . A ATOM 3 C C . VAL A 1 1 ? -2.662 14.733 15.628 1.0 17.06 ? 1 VAL A C 1 1 . A ATOM 4 O O . VAL A 1 1 ? -3.053 13.569 15.714 1.0 18.61 ? 1 VAL A O 1 1 . A ATOM 5 C CB . VAL A 1 1 ? -4.657 16.165 15.809 1.0 29.9 ? 1 VAL A CB 1 1 . A ATOM 6 C CG1 . VAL A 1 1 ? -4.300 16.250 17.293 1.0 39.77 ? 1 VAL A CG1 1 1 . A ATOM 7 C CG2 . VAL A 1 1 ? -5.280 17.488 15.346 1.0 37.48 ? 1 VAL A CG2 1 1 . A ATOM 8 N N . LEU A 1 2 ? -1.505 15.117 16.120 1.0 12.2 ? 2 LEU A N 1 2 . A ATOM 9 C CA . LEU A 1 2 ? -0.689 14.190 16.862 1.0 11.02 ? 2 LEU A CA 1 2 . A ATOM 10 C C . LEU A 1 2 ? -1.259 13.996 18.256 1.0 10.93 ? 2 LEU A C 1 2 . A ATOM 11 O O . LEU A 1 2 ? -1.749 14.945 18.871 1.0 13.56 ? 2 LEU A O 1 2 . A ATOM 12 C CB . LEU A 1 2 ? 0.775 14.633 17.025 1.0 10.42 ? 2 LEU A CB 1 2 . A ATOM 13 C CG . LEU A 1 2 ? 1.674 14.423 15.779 1.0 10.3 ? 2 LEU A CG 1 2 . A ATOM 14 C CD1 . LEU A 1 2 ? 1.342 15.352 14.633 1.0 10.58 ? 2 LEU A CD1 1 2 . A ATOM 15 C CD2 . LEU A 1 2 ? 3.133 14.550 16.182 1.0 10.23 ? 2 LEU A CD2 1 2 . A ATOM 16 N N . SER A 1 3 ? -1.138 12.783 18.784 1.0 10.83 ? 3 SER A N 1 3 . A ATOM 17 C CA . SER A 1 3 ? -1.487 12.495 20.143 1.0 11.06 ? 3 SER A CA 1 3 . A ATOM 18 C C . SER A 1 3 ? -0.388 12.993 21.067 1.0 10.21 ? 3 SER A C 1 3 . A ATOM 19 O O . SER A 1 3 ? 0.759 13.220 20.653 1.0 9.54 ? 3 SER A O 1 3 . A ATOM 20 C CB . SER A 1 3 ? -1.657 10.992 20.369 1.0 12.39 ? 3 SER A CB 1 3 . A ATOM 21 O OG . SER A 1 3 ? -0.398 10.378 20.188 1.0 12.37 ? 3 SER A OG 1 3 . A ATOM 22 N N . GLU A 1 4 ? -0.696 13.041 22.357 1.0 10.95 ? 4 GLU A N 1 4 . A ATOM 23 C CA . GLU A 1 4 ? 0.324 13.366 23.335 1.0 11.34 ? 4 GLU A CA 1 4 . A ATOM 24 C C . GLU A 1 4 ? 1.454 12.362 23.271 1.0 10.71 ? 4 GLU A C 1 4 . A ATOM 25 O O . GLU A 1 4 ? 2.652 12.739 23.385 1.0 10.83 ? 4 GLU A O 1 4 . A ATOM 26 C CB A GLU A 1 4 ? -0.240 13.427 24.764 0.57 12.43 ? 4 GLU A CB 1 4 . A ATOM 27 C CB B GLU A 1 4 ? -0.348 13.314 24.713 0.43 12.28 ? 4 GLU A CB 1 4 . A ATOM 28 C CG A GLU A 1 4 ? -0.998 14.701 25.049 0.57 13.7 ? 4 GLU A CG 1 4 . A ATOM 29 C CG B GLU A 1 4 ? 0.722 13.364 25.766 0.43 12.57 ? 4 GLU A CG 1 4 . A ATOM 30 C CD A GLU A 1 4 ? -0.235 16.019 25.130 0.57 12.95 ? 4 GLU A CD 1 4 . A ATOM 31 C CD B GLU A 1 4 ? 1.620 14.595 25.723 0.43 12.08 ? 4 GLU A CD 1 4 . A ATOM 32 O OE1 A GLU A 1 4 ? 0.997 15.968 25.169 0.57 16.22 ? 4 GLU A OE1 1 4 . A ATOM 33 O OE1 B GLU A 1 4 ? 1.176 15.696 25.424 0.43 11.14 ? 4 GLU A OE1 1 4 . A ATOM 34 O OE2 A GLU A 1 4 ? -0.894 17.080 25.119 0.57 12.43 ? 4 GLU A OE2 1 4 . A ATOM 35 O OE2 B GLU A 1 4 ? 2.821 14.287 25.928 0.43 12.02 ? 4 GLU A OE2 1 4 . A ATOM 36 N N . GLY A 1 5 ? 1.152 11.081 23.082 1.0 11.5 ? 5 GLY A N 1 5 . A ATOM 37 C CA . GLY A 1 5 ? 2.196 10.084 23.022 1.0 11.46 ? 5 GLY A CA 1 5 . A ATOM 38 C C . GLY A 1 5 ? 3.092 10.319 21.831 1.0 10.28 ? 5 GLY A C 1 5 . A ATOM 39 O O . GLY A 1 5 ? 4.331 10.166 21.921 1.0 10.9 ? 5 GLY A O 1 5 . A ATOM 40 N N . GLU A 1 6 ? 2.530 10.707 20.701 1.0 9.6 ? 6 GLU A N 1 6 . A ATOM 41 C CA . GLU A 1 6 ? 3.317 10.981 19.508 1.0 8.59 ? 6 GLU A CA 1 6 . A ATOM 42 C C . GLU A 1 6 ? 4.216 12.212 19.738 1.0 8.27 ? 6 GLU A C 1 6 . A ATOM 43 O O . GLU A 1 6 ? 5.407 12.201 19.382 1.0 8.13 ? 6 GLU A O 1 6 . A ATOM 44 C CB . GLU A 1 6 ? 2.436 11.114 18.299 1.0 9.28 ? 6 GLU A CB 1 6 . A ATOM 45 C CG . GLU A 1 6 ? 1.836 9.783 17.836 1.0 10.32 ? 6 GLU A CG 1 6 . A ATOM 46 C CD . GLU A 1 6 ? 0.640 9.901 16.938 1.0 10.53 ? 6 GLU A CD 1 6 . A ATOM 47 O OE1 . GLU A 1 6 ? -0.054 10.927 16.857 1.0 11.96 ? 6 GLU A OE1 1 6 . A ATOM 48 O OE2 . GLU A 1 6 ? 0.421 8.888 16.190 1.0 13.21 ? 6 GLU A OE2 1 6 . A ATOM 49 N N . TRP A 1 7 ? 3.651 13.267 20.337 1.0 8.05 ? 7 TRP A N 1 7 . A ATOM 50 C CA . TRP A 1 7 ? 4.502 14.431 20.597 1.0 7.73 ? 7 TRP A CA 1 7 . A ATOM 51 C C . TRP A 1 7 ? 5.632 14.073 21.526 1.0 7.66 ? 7 TRP A C 1 7 . A ATOM 52 O O . TRP A 1 7 ? 6.744 14.594 21.371 1.0 7.92 ? 7 TRP A O 1 7 . A ATOM 53 C CB . TRP A 1 7 ? 3.706 15.598 21.221 1.0 8.14 ? 7 TRP A CB 1 7 . A ATOM 54 C CG . TRP A 1 7 ? 2.872 16.333 20.230 1.0 7.82 ? 7 TRP A CG 1 7 . A ATOM 55 C CD1 . TRP A 1 7 ? 1.502 16.500 20.248 1.0 8.69 ? 7 TRP A CD1 1 7 . A ATOM 56 C CD2 . TRP A 1 7 ? 3.329 17.061 19.069 1.0 8.13 ? 7 TRP A CD2 1 7 . A ATOM 57 N NE1 . TRP A 1 7 ? 1.094 17.244 19.198 1.0 8.97 ? 7 TRP A NE1 1 7 . A ATOM 58 C CE2 . TRP A 1 7 ? 2.200 17.590 18.424 1.0 8.26 ? 7 TRP A CE2 1 7 . A ATOM 59 C CE3 . TRP A 1 7 ? 4.601 17.287 18.504 1.0 8.19 ? 7 TRP A CE3 1 7 . A ATOM 60 C CZ2 . TRP A 1 7 ? 2.288 18.311 17.249 1.0 9.06 ? 7 TRP A CZ2 1 7 . A ATOM 61 C CZ3 . TRP A 1 7 ? 4.661 18.015 17.327 1.0 8.82 ? 7 TRP A CZ3 1 7 . A ATOM 62 C CH2 . TRP A 1 7 ? 3.519 18.527 16.711 1.0 9.06 ? 7 TRP A CH2 1 7 . A ATOM 63 N N . GLN A 1 8 ? 5.404 13.203 22.532 1.0 8.42 ? 8 GLN A N 1 8 . A ATOM 64 C CA . GLN A 1 8 ? 6.475 12.812 23.418 1.0 8.84 ? 8 GLN A CA 1 8 . A ATOM 65 C C . GLN A 1 8 ? 7.602 12.149 22.631 1.0 8.08 ? 8 GLN A C 1 8 . A ATOM 66 O O . GLN A 1 8 ? 8.769 12.399 22.918 1.0 8.39 ? 8 GLN A O 1 8 . A ATOM 67 C CB A GLN A 1 8 ? 5.987 11.822 24.520 0.57 13.03 ? 8 GLN A CB 1 8 . A ATOM 68 C CB B GLN A 1 8 ? 5.948 11.968 24.580 0.43 9.68 ? 8 GLN A CB 1 8 . A ATOM 69 C CG A GLN A 1 8 ? 7.030 11.303 25.506 0.57 16.3 ? 8 GLN A CG 1 8 . A ATOM 70 C CG B GLN A 1 8 ? 6.967 12.094 25.688 0.43 12.07 ? 8 GLN A CG 1 8 . A ATOM 71 C CD A GLN A 1 8 ? 7.981 10.227 25.063 0.57 15.61 ? 8 GLN A CD 1 8 . A ATOM 72 C CD B GLN A 1 8 ? 6.439 11.470 26.952 0.43 14.43 ? 8 GLN A CD 1 8 . A ATOM 73 O OE1 A GLN A 1 8 ? 7.688 9.392 24.214 0.57 19.54 ? 8 GLN A OE1 1 8 . A ATOM 74 O OE1 B GLN A 1 8 ? 5.419 10.767 26.918 0.43 17.46 ? 8 GLN A OE1 1 8 . A ATOM 75 N NE2 A GLN A 1 8 ? 9.219 10.114 25.607 0.57 21.38 ? 8 GLN A NE2 1 8 . A ATOM 76 N NE2 B GLN A 1 8 ? 7.067 11.762 28.084 0.43 14.03 ? 8 GLN A NE2 1 8 . A ATOM 77 N N . LEU A 1 9 ? 7.271 11.269 21.697 1.0 8.05 ? 9 LEU A N 1 9 . A ATOM 78 C CA . LEU A 1 9 ? 8.296 10.604 20.915 1.0 8.31 ? 9 LEU A CA 1 9 . A ATOM 79 C C . LEU A 1 9 ? 9.080 11.630 20.080 1.0 7.19 ? 9 LEU A C 1 9 . A ATOM 80 O O . LEU A 1 9 ? 10.311 11.526 19.962 1.0 7.98 ? 9 LEU A O 1 9 . A ATOM 81 C CB . LEU A 1 9 ? 7.677 9.576 19.969 1.0 9.04 ? 9 LEU A CB 1 9 . A ATOM 82 C CG . LEU A 1 9 ? 7.090 8.338 20.698 1.0 10.56 ? 9 LEU A CG 1 9 . A ATOM 83 C CD1 . LEU A 1 9 ? 6.290 7.498 19.721 1.0 12.91 ? 9 LEU A CD1 1 9 . A ATOM 84 C CD2 . LEU A 1 9 ? 8.189 7.510 21.315 1.0 16.75 ? 9 LEU A CD2 1 9 . A ATOM 85 N N . VAL A 1 10 ? 8.391 12.589 19.483 1.0 6.7 ? 10 VAL A N 1 10 . A ATOM 86 C CA . VAL A 1 10 ? 9.019 13.628 18.670 1.0 6.25 ? 10 VAL A CA 1 10 . A ATOM 87 C C . VAL A 1 10 ? 9.985 14.459 19.507 1.0 6.24 ? 10 VAL A C 1 10 . A ATOM 88 O O . VAL A 1 10 ? 11.112 14.709 19.141 1.0 6.75 ? 10 VAL A O 1 10 . A ATOM 89 C CB . VAL A 1 10 ? 7.906 14.535 18.052 1.0 7.02 ? 10 VAL A CB 1 10 . A ATOM 90 C CG1 . VAL A 1 10 ? 8.475 15.796 17.444 1.0 7.41 ? 10 VAL A CG1 1 10 . A ATOM 91 C CG2 . VAL A 1 10 ? 7.135 13.774 17.013 1.0 8.05 ? 10 VAL A CG2 1 10 . A ATOM 92 N N . LEU A 1 11 ? 9.496 14.935 20.665 1.0 6.59 ? 11 LEU A N 1 11 . A ATOM 93 C CA . LEU A 1 11 ? 10.311 15.860 21.464 1.0 6.79 ? 11 LEU A CA 1 11 . A ATOM 94 C C . LEU A 1 11 ? 11.405 15.117 22.206 1.0 7.49 ? 11 LEU A C 1 11 . A ATOM 95 O O . LEU A 1 11 ? 12.435 15.729 22.535 1.0 7.77 ? 11 LEU A O 1 11 . A ATOM 96 C CB . LEU A 1 11 ? 9.398 16.675 22.380 1.0 7.2 ? 11 LEU A CB 1 11 . A ATOM 97 C CG . LEU A 1 11 ? 8.452 17.599 21.622 1.0 7.75 ? 11 LEU A CG 1 11 . A ATOM 98 C CD1 . LEU A 1 11 ? 7.562 18.324 22.581 1.0 10.63 ? 11 LEU A CD1 1 11 . A ATOM 99 C CD2 . LEU A 1 11 ? 9.209 18.598 20.733 1.0 9.58 ? 11 LEU A CD2 1 11 . A ATOM 100 N N . HIS A 1 12 ? 11.249 13.803 22.447 1.0 7.77 ? 12 HIS A N 1 12 . A ATOM 101 C CA . HIS A 1 12 ? 12.315 13.068 23.090 1.0 8.05 ? 12 HIS A CA 1 12 . A ATOM 102 C C . HIS A 1 12 ? 13.533 12.989 22.201 1.0 8.46 ? 12 HIS A C 1 12 . A ATOM 103 O O . HIS A 1 12 ? 14.671 13.235 22.601 1.0 9.54 ? 12 HIS A O 1 12 . A ATOM 104 C CB . HIS A 1 12 ? 11.788 11.644 23.466 1.0 8.43 ? 12 HIS A CB 1 12 . A ATOM 105 C CG . HIS A 1 12 ? 12.823 10.884 24.224 1.0 9.77 ? 12 HIS A CG 1 12 . A ATOM 106 N ND1 . HIS A 1 12 ? 13.125 11.179 25.545 1.0 11.02 ? 12 HIS A ND1 1 12 . A ATOM 107 C CD2 . HIS A 1 12 ? 13.656 9.887 23.824 1.0 11.76 ? 12 HIS A CD2 1 12 . A ATOM 108 C CE1 . HIS A 1 12 ? 14.111 10.350 25.940 1.0 15.22 ? 12 HIS A CE1 1 12 . A ATOM 109 N NE2 . HIS A 1 12 ? 14.435 9.581 24.928 1.0 15.14 ? 12 HIS A NE2 1 12 . A ATOM 110 N N . VAL A 1 13 ? 13.310 12.664 20.898 1.0 7.78 ? 13 VAL A N 1 13 . A ATOM 111 C CA . VAL A 1 13 ? 14.421 12.632 19.976 1.0 7.64 ? 13 VAL A CA 1 13 . A ATOM 112 C C . VAL A 1 13 ? 14.900 14.037 19.684 1.0 7.31 ? 13 VAL A C 1 13 . A ATOM 113 O O . VAL A 1 13 ? 16.121 14.274 19.540 1.0 7.96 ? 13 VAL A O 1 13 . A ATOM 114 C CB . VAL A 1 13 ? 14.152 11.821 18.707 1.0 8.17 ? 13 VAL A CB 1 13 . A ATOM 115 C CG1 . VAL A 1 13 ? 13.174 12.491 17.765 1.0 8.68 ? 13 VAL A CG1 1 13 . A ATOM 116 C CG2 . VAL A 1 13 ? 15.457 11.534 17.967 1.0 8.55 ? 13 VAL A CG2 1 13 . A ATOM 117 N N . TRP A 1 14 ? 14.026 15.041 19.628 1.0 6.96 ? 14 TRP A N 1 14 . A ATOM 118 C CA . TRP A 1 14 ? 14.480 16.388 19.359 1.0 7.58 ? 14 TRP A CA 1 14 . A ATOM 119 C C . TRP A 1 14 ? 15.401 16.876 20.452 1.0 7.72 ? 14 TRP A C 1 14 . A ATOM 120 O O . TRP A 1 14 ? 16.345 17.655 20.180 1.0 8.85 ? 14 TRP A O 1 14 . A ATOM 121 C CB . TRP A 1 14 ? 13.282 17.343 19.125 1.0 7.91 ? 14 TRP A CB 1 14 . A ATOM 122 C CG . TRP A 1 14 ? 13.798 18.571 18.460 1.0 9.93 ? 14 TRP A CG 1 14 . A ATOM 123 C CD1 . TRP A 1 14 ? 14.145 19.736 19.056 1.0 15.11 ? 14 TRP A CD1 1 14 . A ATOM 124 C CD2 . TRP A 1 14 ? 14.170 18.677 17.092 1.0 11.49 ? 14 TRP A CD2 1 14 . A ATOM 125 N NE1 . TRP A 1 14 ? 14.662 20.607 18.089 1.0 19.61 ? 14 TRP A NE1 1 14 . A ATOM 126 C CE2 . TRP A 1 14 ? 14.689 19.976 16.899 1.0 16.96 ? 14 TRP A CE2 1 14 . A ATOM 127 C CE3 . TRP A 1 14 ? 14.073 17.788 16.004 1.0 13.31 ? 14 TRP A CE3 1 14 . A ATOM 128 C CZ2 . TRP A 1 14 ? 15.122 20.460 15.657 1.0 23.85 ? 14 TRP A CZ2 1 14 . A ATOM 129 C CZ3 . TRP A 1 14 ? 14.528 18.244 14.764 1.0 20.18 ? 14 TRP A CZ3 1 14 . A ATOM 130 C CH2 . TRP A 1 14 ? 15.013 19.534 14.674 1.0 25.35 ? 14 TRP A CH2 1 14 . A ATOM 131 N N . ALA A 1 15 ? 15.160 16.481 21.704 1.0 8.62 ? 15 ALA A N 1 15 . A ATOM 132 C CA . ALA A 1 15 ? 16.044 16.935 22.798 1.0 9.97 ? 15 ALA A CA 1 15 . A ATOM 133 C C . ALA A 1 15 ? 17.446 16.401 22.586 1.0 9.59 ? 15 ALA A C 1 15 . A ATOM 134 O O . ALA A 1 15 ? 18.434 17.009 23.033 1.0 11.62 ? 15 ALA A O 1 15 . A ATOM 135 C CB . ALA A 1 15 ? 15.450 16.520 24.118 1.0 13.42 ? 15 ALA A CB 1 15 . A ATOM 136 N N . LYS A 1 16 ? 17.595 15.248 21.924 1.0 8.81 ? 16 LYS A N 1 16 . A ATOM 137 C CA . LYS A 1 16 ? 18.881 14.660 21.558 1.0 9.0 ? 16 LYS A CA 1 16 . A ATOM 138 C C . LYS A 1 16 ? 19.537 15.498 20.452 1.0 9.36 ? 16 LYS A C 1 16 . A ATOM 139 O O . LYS A 1 16 ? 20.752 15.765 20.433 1.0 15.85 ? 16 LYS A O 1 16 . A ATOM 140 C CB . LYS A 1 16 ? 18.795 13.247 21.070 1.0 9.41 ? 16 LYS A CB 1 16 . A ATOM 141 C CG . LYS A 1 16 ? 18.109 12.225 21.958 1.0 10.31 ? 16 LYS A CG 1 16 . A ATOM 142 C CD . LYS A 1 16 ? 18.777 12.045 23.271 1.0 11.08 ? 16 LYS A CD 1 16 . A ATOM 143 C CE . LYS A 1 16 ? 18.109 10.968 24.117 1.0 12.02 ? 16 LYS A CE 1 16 . A ATOM 144 N NZ . LYS A 1 16 ? 18.878 10.680 25.328 1.0 15.35 ? 16 LYS A NZ 1 16 . A ATOM 145 N N . VAL A 1 17 ? 18.768 16.035 19.524 1.0 10.26 ? 17 VAL A N 1 17 . A ATOM 146 C CA . VAL A 1 17 ? 19.269 16.901 18.449 1.0 11.55 ? 17 VAL A CA 1 17 . A ATOM 147 C C . VAL A 1 17 ? 19.876 18.147 18.968 1.0 12.93 ? 17 VAL A C 1 17 . A ATOM 148 O O . VAL A 1 17 ? 20.911 18.643 18.546 1.0 15.08 ? 17 VAL A O 1 17 . A ATOM 149 C CB . VAL A 1 17 ? 18.104 17.238 17.430 1.0 11.9 ? 17 VAL A CB 1 17 . A ATOM 150 C CG1 . VAL A 1 17 ? 18.553 18.359 16.487 1.0 13.6 ? 17 VAL A CG1 1 17 . A ATOM 151 C CG2 . VAL A 1 17 ? 17.621 15.992 16.693 1.0 13.59 ? 17 VAL A CG2 1 17 . A ATOM 152 N N . GLU A 1 18 ? 19.149 18.710 19.920 1.0 12.78 ? 18 GLU A N 1 18 . A ATOM 153 C CA . GLU A 1 18 ? 19.557 19.981 20.499 1.0 15.85 ? 18 GLU A CA 1 18 . A ATOM 154 C C . GLU A 1 18 ? 20.832 19.926 21.265 1.0 16.32 ? 18 GLU A C 1 18 . A ATOM 155 O O . GLU A 1 18 ? 21.454 21.018 21.601 1.0 19.86 ? 18 GLU A O 1 18 . A ATOM 156 C CB . GLU A 1 18 ? 18.397 20.487 21.355 1.0 17.83 ? 18 GLU A CB 1 18 . A ATOM 157 C CG . GLU A 1 18 ? 17.426 21.084 20.325 1.0 17.4 ? 18 GLU A CG 1 18 . A ATOM 158 C CD . GLU A 1 18 ? 16.354 21.874 21.005 1.0 18.58 ? 18 GLU A CD 1 18 . A ATOM 159 O OE1 . GLU A 1 18 ? 16.201 21.610 22.224 1.0 29.4 ? 18 GLU A OE1 1 18 . A ATOM 160 O OE2 . GLU A 1 18 ? 15.643 22.651 20.354 1.0 23.74 ? 18 GLU A OE2 1 18 . A ATOM 161 N N . ALA A 1 19 ? 21.400 18.727 21.473 1.0 15.18 ? 19 ALA A N 1 19 . A ATOM 162 C CA . ALA A 1 19 ? 22.712 18.601 22.014 1.0 14.79 ? 19 ALA A CA 1 19 . A ATOM 163 C C . ALA A 1 19 ? 23.826 18.917 20.984 1.0 18.33 ? 19 ALA A C 1 19 . A ATOM 164 O O . ALA A 1 19 ? 24.980 19.186 21.314 1.0 17.23 ? 19 ALA A O 1 19 . A ATOM 165 C CB . ALA A 1 19 ? 23.022 17.235 22.602 1.0 21.12 ? 19 ALA A CB 1 19 . A ATOM 166 N N . ASP A 1 20 ? 23.595 18.948 19.691 1.0 14.92 ? 20 ASP A N 1 20 . A ATOM 167 C CA . ASP A 1 20 ? 24.546 19.223 18.625 1.0 12.65 ? 20 ASP A CA 1 20 . A ATOM 168 C C . ASP A 1 20 ? 23.719 19.759 17.441 1.0 10.25 ? 20 ASP A C 1 20 . A ATOM 169 O O . ASP A 1 20 ? 23.635 19.141 16.383 1.0 11.49 ? 20 ASP A O 1 20 . A ATOM 170 C CB . ASP A 1 20 ? 25.356 18.001 18.188 1.0 13.49 ? 20 ASP A CB 1 20 . A ATOM 171 C CG . ASP A 1 20 ? 26.292 18.208 17.007 1.0 14.4 ? 20 ASP A CG 1 20 . A ATOM 172 O OD1 . ASP A 1 20 ? 26.657 19.367 16.733 1.0 12.03 ? 20 ASP A OD1 1 20 . A ATOM 173 O OD2 . ASP A 1 20 ? 26.763 17.185 16.417 1.0 21.34 ? 20 ASP A OD2 1 20 . A ATOM 174 N N . VAL A 1 21 ? 23.152 20.980 17.677 1.0 11.04 ? 21 VAL A N 1 21 . A ATOM 175 C CA . VAL A 1 21 ? 22.306 21.550 16.647 1.0 10.44 ? 21 VAL A CA 1 21 . A ATOM 176 C C . VAL A 1 21 ? 23.085 21.658 15.311 1.0 9.86 ? 21 VAL A C 1 21 . A ATOM 177 O O . VAL A 1 21 ? 22.658 21.300 14.216 1.0 10.7 ? 21 VAL A O 1 21 . A ATOM 178 C CB . VAL A 1 21 ? 21.613 22.848 17.096 1.0 11.19 ? 21 VAL A CB 1 21 . A ATOM 179 C CG1 . VAL A 1 21 ? 20.836 23.445 15.935 1.0 12.75 ? 21 VAL A CG1 1 21 . A ATOM 180 C CG2 . VAL A 1 21 ? 20.667 22.661 18.285 1.0 13.91 ? 21 VAL A CG2 1 21 . A ATOM 181 N N . ALA A 1 22 ? 24.308 22.213 15.406 1.0 11.11 ? 22 ALA A N 1 22 . A ATOM 182 C CA . ALA A 1 22 ? 25.042 22.516 14.185 1.0 10.41 ? 22 ALA A CA 1 22 . A ATOM 183 C C . ALA A 1 22 ? 25.422 21.279 13.374 1.0 9.73 ? 22 ALA A C 1 22 . A ATOM 184 O O . ALA A 1 22 ? 25.352 21.266 12.128 1.0 10.25 ? 22 ALA A O 1 22 . A ATOM 185 C CB . ALA A 1 22 ? 26.301 23.356 14.508 1.0 11.04 ? 22 ALA A CB 1 22 . A ATOM 186 N N . GLY A 1 23 ? 25.843 20.222 14.009 1.0 10.21 ? 23 GLY A N 1 23 . A ATOM 187 C CA . GLY A 1 23 ? 26.217 19.010 13.295 1.0 10.01 ? 23 GLY A CA 1 23 . A ATOM 188 C C . GLY A 1 23 ? 25.021 18.349 12.594 1.0 9.02 ? 23 GLY A C 1 23 . A ATOM 189 O O . GLY A 1 23 ? 25.107 17.856 11.474 1.0 9.46 ? 23 GLY A O 1 23 . A ATOM 190 N N . HIS A 1 24 ? 23.882 18.400 13.322 1.0 10.3 ? 24 HIS A N 1 24 . A ATOM 191 C CA . HIS A 1 24 ? 22.696 17.908 12.638 1.0 8.8 ? 24 HIS A CA 1 24 . A ATOM 192 C C . HIS A 1 24 ? 22.361 18.776 11.425 1.0 8.52 ? 24 HIS A C 1 24 . A ATOM 193 O O . HIS A 1 24 ? 21.944 18.222 10.403 1.0 8.65 ? 24 HIS A O 1 24 . A ATOM 194 C CB . HIS A 1 24 ? 21.501 17.930 13.604 1.0 7.63 ? 24 HIS A CB 1 24 . A ATOM 195 C CG . HIS A 1 24 ? 21.553 16.837 14.634 1.0 7.91 ? 24 HIS A CG 1 24 . A ATOM 196 N ND1 . HIS A 1 24 ? 22.331 16.913 15.771 1.0 8.64 ? 24 HIS A ND1 1 24 . A ATOM 197 C CD2 . HIS A 1 24 ? 20.856 15.702 14.731 1.0 9.16 ? 24 HIS A CD2 1 24 . A ATOM 198 C CE1 . HIS A 1 24 ? 22.090 15.796 16.479 1.0 9.73 ? 24 HIS A CE1 1 24 . A ATOM 199 N NE2 . HIS A 1 24 ? 21.201 15.034 15.884 1.0 10.66 ? 24 HIS A NE2 1 24 . A ATOM 200 N N . GLY A 1 25 ? 22.470 20.118 11.600 1.0 7.97 ? 25 GLY A N 1 25 . A ATOM 201 C CA . GLY A 1 25 ? 22.074 20.968 10.503 1.0 7.95 ? 25 GLY A CA 1 25 . A ATOM 202 C C . GLY A 1 25 ? 22.918 20.741 9.264 1.0 7.58 ? 25 GLY A C 1 25 . A ATOM 203 O O . GLY A 1 25 ? 22.436 20.721 8.146 1.0 7.73 ? 25 GLY A O 1 25 . A ATOM 204 N N . GLN A 1 26 ? 24.259 20.461 9.468 1.0 8.81 ? 26 GLN A N 1 26 . A ATOM 205 C CA . GLN A 1 26 ? 25.151 20.160 8.384 1.0 8.72 ? 26 GLN A CA 1 26 . A ATOM 206 C C . GLN A 1 26 ? 24.740 18.886 7.725 1.0 8.33 ? 26 GLN A C 1 26 . A ATOM 207 O O . GLN A 1 26 ? 24.650 18.838 6.445 1.0 10.33 ? 26 GLN A O 1 26 . A ATOM 208 C CB A GLN A 1 26 ? 26.605 19.928 8.855 0.65 7.49 ? 26 GLN A CB 1 26 . A ATOM 209 C CB B GLN A 1 26 ? 26.555 20.323 8.968 0.35 13.37 ? 26 GLN A CB 1 26 . A ATOM 210 C CG A GLN A 1 26 ? 27.267 21.209 9.251 0.65 8.54 ? 26 GLN A CG 1 26 . A ATOM 211 C CG B GLN A 1 26 ? 27.730 20.112 8.052 0.35 13.43 ? 26 GLN A CG 1 26 . A ATOM 212 C CD A GLN A 1 26 ? 28.524 20.944 10.037 0.65 8.6 ? 26 GLN A CD 1 26 . A ATOM 213 C CD B GLN A 1 26 ? 29.041 19.819 8.781 0.35 16.13 ? 26 GLN A CD 1 26 . A ATOM 214 O OE1 A GLN A 1 26 ? 28.509 20.176 11.001 0.65 11.06 ? 26 GLN A OE1 1 26 . A ATOM 215 O OE1 B GLN A 1 26 ? 29.183 18.818 9.500 0.35 23.95 ? 26 GLN A OE1 1 26 . A ATOM 216 N NE2 A GLN A 1 26 ? 29.635 21.462 9.601 0.65 8.49 ? 26 GLN A NE2 1 26 . A ATOM 217 N NE2 B GLN A 1 26 ? 30.000 20.703 8.589 0.35 18.51 ? 26 GLN A NE2 1 26 . A ATOM 218 N N . ASP A 1 27 ? 24.516 17.782 8.420 1.0 8.84 ? 27 ASP A N 1 27 . A ATOM 219 C CA . ASP A 1 27 ? 24.193 16.513 7.883 1.0 8.8 ? 27 ASP A CA 1 27 . A ATOM 220 C C . ASP A 1 27 ? 22.916 16.685 7.100 1.0 8.45 ? 27 ASP A C 1 27 . A ATOM 221 O O . ASP A 1 27 ? 22.813 16.115 6.031 1.0 9.27 ? 27 ASP A O 1 27 . A ATOM 222 C CB . ASP A 1 27 ? 24.074 15.451 8.949 1.0 10.26 ? 27 ASP A CB 1 27 . A ATOM 223 C CG . ASP A 1 27 ? 25.348 15.102 9.651 1.0 12.35 ? 27 ASP A CG 1 27 . A ATOM 224 O OD1 . ASP A 1 27 ? 26.422 15.567 9.202 1.0 18.16 ? 27 ASP A OD1 1 27 . A ATOM 225 O OD2 . ASP A 1 27 ? 25.289 14.304 10.603 1.0 18.46 ? 27 ASP A OD2 1 27 . A ATOM 226 N N . ILE A 1 28 ? 21.932 17.405 7.636 1.0 7.63 ? 28 ILE A N 1 28 . A ATOM 227 C CA . ILE A 1 28 ? 20.655 17.495 6.980 1.0 6.42 ? 28 ILE A CA 1 28 . A ATOM 228 C C . ILE A 1 28 ? 20.736 18.293 5.688 1.0 6.45 ? 28 ILE A C 1 28 . A ATOM 229 O O . ILE A 1 28 ? 20.212 17.850 4.660 1.0 6.87 ? 28 ILE A O 1 28 . A ATOM 230 C CB . ILE A 1 28 ? 19.616 18.085 7.961 1.0 6.45 ? 28 ILE A CB 1 28 . A ATOM 231 C CG1 . ILE A 1 28 ? 19.300 17.063 9.052 1.0 6.95 ? 28 ILE A CG1 1 28 . A ATOM 232 C CG2 . ILE A 1 28 ? 18.362 18.542 7.245 1.0 6.87 ? 28 ILE A CG2 1 28 . A ATOM 233 C CD1 . ILE A 1 28 ? 18.626 17.606 10.292 1.0 7.69 ? 28 ILE A CD1 1 28 . A ATOM 234 N N . LEU A 1 29 ? 21.364 19.474 5.714 1.0 6.6 ? 29 LEU A N 1 29 . A ATOM 235 C CA . LEU A 1 29 ? 21.463 20.254 4.476 1.0 6.57 ? 29 LEU A CA 1 29 . A ATOM 236 C C . LEU A 1 29 ? 22.301 19.532 3.445 1.0 6.76 ? 29 LEU A C 1 29 . A ATOM 237 O O . LEU A 1 29 ? 21.944 19.582 2.250 1.0 7.45 ? 29 LEU A O 1 29 . A ATOM 238 C CB . LEU A 1 29 ? 22.030 21.653 4.772 1.0 7.58 ? 29 LEU A CB 1 29 . A ATOM 239 C CG . LEU A 1 29 ? 21.108 22.573 5.581 1.0 8.28 ? 29 LEU A CG 1 29 . A ATOM 240 C CD1 . LEU A 1 29 ? 21.831 23.852 5.922 1.0 11.35 ? 29 LEU A CD1 1 29 . A ATOM 241 C CD2 . LEU A 1 29 ? 19.833 22.859 4.815 1.0 11.03 ? 29 LEU A CD2 1 29 . A ATOM 242 N N . ILE A 1 30 ? 23.379 18.865 3.830 1.0 7.17 ? 30 ILE A N 1 30 . A ATOM 243 C CA . ILE A 1 30 ? 24.167 18.158 2.856 1.0 7.68 ? 30 ILE A CA 1 30 . A ATOM 244 C C . ILE A 1 30 ? 23.382 17.009 2.237 1.0 7.23 ? 30 ILE A C 1 30 . A ATOM 245 O O . ILE A 1 30 ? 23.423 16.815 1.025 1.0 7.72 ? 30 ILE A O 1 30 . A ATOM 246 C CB . ILE A 1 30 ? 25.494 17.666 3.462 1.0 9.42 ? 30 ILE A CB 1 30 . A ATOM 247 C CG1 . ILE A 1 30 ? 26.335 18.867 3.806 1.0 12.55 ? 30 ILE A CG1 1 30 . A ATOM 248 C CG2 . ILE A 1 30 ? 26.157 16.613 2.622 1.0 12.2 ? 30 ILE A CG2 1 30 . A ATOM 249 C CD1 . ILE A 1 30 ? 27.588 18.560 4.630 1.0 16.47 ? 30 ILE A CD1 1 30 . A ATOM 250 N N . ARG A 1 31 ? 22.628 16.260 3.030 1.0 7.55 ? 31 ARG A N 1 31 . A ATOM 251 C CA . ARG A 1 31 ? 21.812 15.200 2.466 1.0 7.95 ? 31 ARG A CA 1 31 . A ATOM 252 C C . ARG A 1 31 ? 20.801 15.786 1.507 1.0 7.23 ? 31 ARG A C 1 31 . A ATOM 253 O O . ARG A 1 31 ? 20.562 15.228 0.446 1.0 8.74 ? 31 ARG A O 1 31 . A ATOM 254 C CB A ARG A 1 31 ? 21.111 14.482 3.631 0.42 9.97 ? 31 ARG A CB 1 31 . A ATOM 255 C CB B ARG A 1 31 ? 21.104 14.355 3.542 0.58 9.54 ? 31 ARG A CB 1 31 . A ATOM 256 C CG A ARG A 1 31 ? 20.009 13.491 3.312 0.42 12.56 ? 31 ARG A CG 1 31 . A ATOM 257 C CG B ARG A 1 31 ? 20.262 13.271 2.907 0.58 11.56 ? 31 ARG A CG 1 31 . A ATOM 258 C CD A ARG A 1 31 ? 20.600 12.282 2.637 0.42 14.58 ? 31 ARG A CD 1 31 . A ATOM 259 C CD B ARG A 1 31 ? 19.685 12.266 3.879 0.58 13.95 ? 31 ARG A CD 1 31 . A ATOM 260 N NE A ARG A 1 31 ? 19.598 11.277 2.260 0.42 18.91 ? 31 ARG A NE 1 31 . A ATOM 261 N NE B ARG A 1 31 ? 18.746 11.331 3.297 0.58 16.28 ? 31 ARG A NE 1 31 . A ATOM 262 C CZ A ARG A 1 31 ? 20.088 10.040 2.123 0.42 19.75 ? 31 ARG A CZ 1 31 . A ATOM 263 C CZ B ARG A 1 31 ? 19.004 10.147 2.764 0.58 20.61 ? 31 ARG A CZ 1 31 . A ATOM 264 N NH1 A ARG A 1 31 ? 21.377 9.842 2.356 0.42 25.78 ? 31 ARG A NH1 1 31 . A ATOM 265 N NH1 B ARG A 1 31 ? 20.225 9.643 2.708 0.58 20.16 ? 31 ARG A NH1 1 31 . A ATOM 266 N NH2 A ARG A 1 31 ? 19.294 9.036 1.792 0.42 26.43 ? 31 ARG A NH2 1 31 . A ATOM 267 N NH2 B ARG A 1 31 ? 17.971 9.462 2.288 0.58 28.74 ? 31 ARG A NH2 1 31 . A ATOM 268 N N . LEU A 1 32 ? 20.146 16.872 1.900 1.0 6.84 ? 32 LEU A N 1 32 . A ATOM 269 C CA . LEU A 1 32 ? 19.184 17.558 1.045 1.0 7.13 ? 32 LEU A CA 1 32 . A ATOM 270 C C . LEU A 1 32 ? 19.813 17.933 -0.303 1.0 6.79 ? 32 LEU A C 1 32 . A ATOM 271 O O . LEU A 1 32 ? 19.241 17.668 -1.377 1.0 7.51 ? 32 LEU A O 1 32 . A ATOM 272 C CB . LEU A 1 32 ? 18.658 18.784 1.765 1.0 6.72 ? 32 LEU A CB 1 32 . A ATOM 273 C CG . LEU A 1 32 ? 17.652 19.628 0.949 1.0 7.56 ? 32 LEU A CG 1 32 . A ATOM 274 C CD1 . LEU A 1 32 ? 16.367 18.851 0.741 1.0 8.21 ? 32 LEU A CD1 1 32 . A ATOM 275 C CD2 . LEU A 1 32 ? 17.408 20.951 1.648 1.0 8.76 ? 32 LEU A CD2 1 32 . A ATOM 276 N N . PHE A 1 33 ? 20.964 18.597 -0.244 1.0 6.59 ? 33 PHE A N 1 33 . A ATOM 277 C CA . PHE A 1 33 ? 21.599 19.119 -1.465 1.0 7.44 ? 33 PHE A CA 1 33 . A ATOM 278 C C . PHE A 1 33 ? 22.089 17.981 -2.353 1.0 8.03 ? 33 PHE A C 1 33 . A ATOM 279 O O . PHE A 1 33 ? 22.068 18.108 -3.583 1.0 10.13 ? 33 PHE A O 1 33 . A ATOM 280 C CB . PHE A 1 33 ? 22.741 20.023 -1.082 1.0 7.49 ? 33 PHE A CB 1 33 . A ATOM 281 C CG . PHE A 1 33 ? 22.399 21.297 -0.360 1.0 7.75 ? 33 PHE A CG 1 33 . A ATOM 282 C CD1 . PHE A 1 33 ? 21.152 21.873 -0.432 1.0 7.61 ? 33 PHE A CD1 1 33 . A ATOM 283 C CD2 . PHE A 1 33 ? 23.322 21.931 0.428 1.0 9.58 ? 33 PHE A CD2 1 33 . A ATOM 284 C CE1 . PHE A 1 33 ? 20.843 23.067 0.188 1.0 9.61 ? 33 PHE A CE1 1 33 . A ATOM 285 C CE2 . PHE A 1 33 ? 23.060 23.126 1.036 1.0 11.62 ? 33 PHE A CE2 1 33 . A ATOM 286 C CZ . PHE A 1 33 ? 21.808 23.711 0.954 1.0 10.87 ? 33 PHE A CZ 1 33 . A ATOM 287 N N . LYS A 1 34 ? 22.590 16.891 -1.752 1.0 8.2 ? 34 LYS A N 1 34 . A ATOM 288 C CA . LYS A 1 34 ? 23.095 15.772 -2.549 1.0 9.98 ? 34 LYS A CA 1 34 . A ATOM 289 C C . LYS A 1 34 ? 21.951 14.995 -3.144 1.0 9.43 ? 34 LYS A C 1 34 . A ATOM 290 O O . LYS A 1 34 ? 21.995 14.584 -4.307 1.0 11.46 ? 34 LYS A O 1 34 . A ATOM 291 C CB . LYS A 1 34 ? 23.979 14.853 -1.704 1.0 12.54 ? 34 LYS A CB 1 34 . A ATOM 292 C CG . LYS A 1 34 ? 25.314 15.460 -1.319 1.0 16.82 ? 34 LYS A CG 1 34 . A ATOM 293 C CD . LYS A 1 34 ? 26.006 14.442 -0.420 1.0 23.97 ? 34 LYS A CD 1 34 . A ATOM 294 C CE . LYS A 1 34 ? 26.229 13.035 -0.934 1.0 30.86 ? 34 LYS A CE 1 34 . A ATOM 295 N NZ . LYS A 1 34 ? 27.687 12.967 -1.241 1.0 39.35 ? 34 LYS A NZ 1 34 . A ATOM 296 N N . SER A 1 35 ? 20.888 14.723 -2.351 1.0 9.16 ? 35 SER A N 1 35 . A ATOM 297 C CA . SER A 1 35 ? 19.778 13.935 -2.820 1.0 9.91 ? 35 SER A CA 1 35 . A ATOM 298 C C . SER A 1 35 ? 18.858 14.698 -3.781 1.0 8.76 ? 35 SER A C 1 35 . A ATOM 299 O O . SER A 1 35 ? 18.227 14.039 -4.624 1.0 10.73 ? 35 SER A O 1 35 . A ATOM 300 C CB . SER A 1 35 ? 18.965 13.416 -1.631 1.0 11.4 ? 35 SER A CB 1 35 . A ATOM 301 O OG . SER A 1 35 ? 19.659 12.507 -0.862 1.0 16.75 ? 35 SER A OG 1 35 . A ATOM 302 N N . HIS A 1 36 ? 18.824 16.000 -3.674 1.0 8.35 ? 36 HIS A N 1 36 . A ATOM 303 C CA . HIS A 1 36 ? 17.931 16.835 -4.470 1.0 8.24 ? 36 HIS A CA 1 36 . A ATOM 304 C C . HIS A 1 36 ? 18.616 18.103 -4.877 1.0 7.95 ? 36 HIS A C 1 36 . A ATOM 305 O O . HIS A 1 36 ? 18.445 19.170 -4.297 1.0 8.7 ? 36 HIS A O 1 36 . A ATOM 306 C CB . HIS A 1 36 ? 16.629 17.148 -3.681 1.0 8.76 ? 36 HIS A CB 1 36 . A ATOM 307 C CG . HIS A 1 36 ? 15.962 15.936 -3.173 1.0 10.22 ? 36 HIS A CG 1 36 . A ATOM 308 N ND1 . HIS A 1 36 ? 15.130 15.122 -3.916 1.0 11.26 ? 36 HIS A ND1 1 36 . A ATOM 309 C CD2 . HIS A 1 36 ? 16.038 15.336 -1.936 1.0 12.21 ? 36 HIS A CD2 1 36 . A ATOM 310 C CE1 . HIS A 1 36 ? 14.734 14.111 -3.162 1.0 13.44 ? 36 HIS A CE1 1 36 . A ATOM 311 N NE2 . HIS A 1 36 ? 15.270 14.220 -1.964 1.0 14.78 ? 36 HIS A NE2 1 36 . A ATOM 312 N N . PRO A 1 37 ? 19.488 18.028 -5.900 1.0 8.21 ? 37 PRO A N 1 37 . A ATOM 313 C CA . PRO A 1 37 ? 20.320 19.174 -6.246 1.0 8.71 ? 37 PRO A CA 1 37 . A ATOM 314 C C . PRO A 1 37 ? 19.586 20.426 -6.620 1.0 8.41 ? 37 PRO A C 1 37 . A ATOM 315 O O . PRO A 1 37 ? 20.141 21.543 -6.531 1.0 9.53 ? 37 PRO A O 1 37 . A ATOM 316 C CB . PRO A 1 37 ? 21.201 18.635 -7.388 1.0 10.3 ? 37 PRO A CB 1 37 . A ATOM 317 C CG . PRO A 1 37 ? 21.253 17.123 -7.151 1.0 10.73 ? 37 PRO A CG 1 37 . A ATOM 318 C CD . PRO A 1 37 ? 19.884 16.806 -6.638 1.0 8.96 ? 37 PRO A CD 1 37 . A ATOM 319 N N . GLU A 1 38 ? 18.329 20.328 -7.056 1.0 8.06 ? 38 GLU A N 1 38 . A ATOM 320 C CA . GLU A 1 38 ? 17.529 21.507 -7.322 1.0 8.82 ? 38 GLU A CA 1 38 . A ATOM 321 C C . GLU A 1 38 ? 17.398 22.404 -6.090 1.0 8.76 ? 38 GLU A C 1 38 . A ATOM 322 O O . GLU A 1 38 ? 17.187 23.608 -6.229 1.0 10.82 ? 38 GLU A O 1 38 . A ATOM 323 C CB . GLU A 1 38 ? 16.152 21.114 -7.851 1.0 9.52 ? 38 GLU A CB 1 38 . A ATOM 324 C CG . GLU A 1 38 ? 15.237 20.336 -6.950 1.0 9.86 ? 38 GLU A CG 1 38 . A ATOM 325 C CD . GLU A 1 38 ? 15.381 18.851 -6.979 1.0 9.03 ? 38 GLU A CD 1 38 . A ATOM 326 O OE1 . GLU A 1 38 ? 16.533 18.331 -7.010 1.0 8.89 ? 38 GLU A OE1 1 38 . A ATOM 327 O OE2 . GLU A 1 38 ? 14.310 18.195 -6.902 1.0 11.21 ? 38 GLU A OE2 1 38 . A ATOM 328 N N . THR A 1 39 ? 17.463 21.805 -4.896 1.0 7.48 ? 39 THR A N 1 39 . A ATOM 329 C CA . THR A 1 39 ? 17.322 22.578 -3.685 1.0 7.3 ? 39 THR A CA 1 39 . A ATOM 330 C C . THR A 1 39 ? 18.517 23.487 -3.446 1.0 7.44 ? 39 THR A C 1 39 . A ATOM 331 O O . THR A 1 39 ? 18.357 24.640 -2.994 1.0 8.38 ? 39 THR A O 1 39 . A ATOM 332 C CB . THR A 1 39 ? 17.124 21.671 -2.459 1.0 7.38 ? 39 THR A CB 1 39 . A ATOM 333 O OG1 . THR A 1 39 ? 18.261 20.881 -2.182 1.0 7.3 ? 39 THR A OG1 1 39 . A ATOM 334 C CG2 . THR A 1 39 ? 15.858 20.841 -2.594 1.0 7.78 ? 39 THR A CG2 1 39 . A ATOM 335 N N . LEU A 1 40 ? 19.723 23.015 -3.786 1.0 8.18 ? 40 LEU A N 1 40 . A ATOM 336 C CA . LEU A 1 40 ? 20.928 23.813 -3.598 1.0 8.28 ? 40 LEU A CA 1 40 . A ATOM 337 C C . LEU A 1 40 ? 20.869 25.078 -4.433 1.0 8.73 ? 40 LEU A C 1 40 . A ATOM 338 O O . LEU A 1 40 ? 21.314 26.182 -4.022 1.0 9.26 ? 40 LEU A O 1 40 . A ATOM 339 C CB . LEU A 1 40 ? 22.137 22.925 -3.985 1.0 8.56 ? 40 LEU A CB 1 40 . A ATOM 340 C CG . LEU A 1 40 ? 23.478 23.617 -3.940 1.0 9.45 ? 40 LEU A CG 1 40 . A ATOM 341 C CD1 . LEU A 1 40 ? 23.736 24.182 -2.562 1.0 12.52 ? 40 LEU A CD1 1 40 . A ATOM 342 C CD2 . LEU A 1 40 ? 24.550 22.620 -4.397 1.0 13.0 ? 40 LEU A CD2 1 40 . A ATOM 343 N N . GLU A 1 41 ? 20.296 24.941 -5.634 1.0 9.53 ? 41 GLU A N 1 41 . A ATOM 344 C CA . GLU A 1 41 ? 20.239 26.028 -6.564 1.0 11.39 ? 41 GLU A CA 1 41 . A ATOM 345 C C . GLU A 1 41 ? 19.415 27.175 -6.039 1.0 10.44 ? 41 GLU A C 1 41 . A ATOM 346 O O . GLU A 1 41 ? 19.588 28.319 -6.491 1.0 13.16 ? 41 GLU A O 1 41 . A ATOM 347 C CB A GLU A 1 41 ? 19.502 25.484 -7.809 0.51 14.33 ? 41 GLU A CB 1 41 . A ATOM 348 C CB B GLU A 1 41 ? 19.871 25.598 -7.976 0.49 11.64 ? 41 GLU A CB 1 41 . A ATOM 349 C CG A GLU A 1 41 ? 19.352 26.247 -9.071 0.51 12.79 ? 41 GLU A CG 1 41 . A ATOM 350 C CG B GLU A 1 41 ? 20.185 26.694 -8.968 0.49 12.02 ? 41 GLU A CG 1 41 . A ATOM 351 C CD A GLU A 1 41 ? 20.613 26.541 -9.855 0.51 14.26 ? 41 GLU A CD 1 41 . A ATOM 352 C CD B GLU A 1 41 ? 21.621 26.910 -9.344 0.49 16.29 ? 41 GLU A CD 1 41 . A ATOM 353 O OE1 A GLU A 1 41 ? 21.731 26.358 -9.355 0.51 17.39 ? 41 GLU A OE1 1 41 . A ATOM 354 O OE1 B GLU A 1 41 ? 22.459 26.178 -8.788 0.49 20.12 ? 41 GLU A OE1 1 41 . A ATOM 355 O OE2 A GLU A 1 41 ? 20.470 26.999 -11.016 0.51 17.15 ? 41 GLU A OE2 1 41 . A ATOM 356 O OE2 B GLU A 1 41 ? 21.923 27.796 -10.178 0.49 22.84 ? 41 GLU A OE2 1 41 . A ATOM 357 N N . LYS A 1 42 ? 18.494 26.972 -5.062 1.0 9.77 ? 42 LYS A N 1 42 . A ATOM 358 C CA . LYS A 1 42 ? 17.728 28.019 -4.446 1.0 9.76 ? 42 LYS A CA 1 42 . A ATOM 359 C C . LYS A 1 42 ? 18.500 28.945 -3.516 1.0 9.34 ? 42 LYS A C 1 42 . A ATOM 360 O O . LYS A 1 42 ? 17.991 29.953 -3.034 1.0 11.39 ? 42 LYS A O 1 42 . A ATOM 361 C CB . LYS A 1 42 ? 16.521 27.452 -3.648 1.0 10.59 ? 42 LYS A CB 1 42 . A ATOM 362 C CG . LYS A 1 42 ? 15.476 26.746 -4.532 1.0 12.15 ? 42 LYS A CG 1 42 . A ATOM 363 C CD . LYS A 1 42 ? 14.654 27.800 -5.294 1.0 16.68 ? 42 LYS A CD 1 42 . A ATOM 364 C CE . LYS A 1 42 ? 13.643 27.097 -6.169 1.0 18.35 ? 42 LYS A CE 1 42 . A ATOM 365 N NZ . LYS A 1 42 ? 12.661 28.012 -6.837 1.0 20.42 ? 42 LYS A NZ 1 42 . A ATOM 366 N N . PHE A 1 43 ? 19.743 28.573 -3.184 1.0 9.02 ? 43 PHE A N 1 43 . A ATOM 367 C CA . PHE A 1 43 ? 20.573 29.297 -2.236 1.0 9.02 ? 43 PHE A CA 1 43 . A ATOM 368 C C . PHE A 1 43 ? 21.710 30.021 -2.970 1.0 9.69 ? 43 PHE A C 1 43 . A ATOM 369 O O . PHE A 1 43 ? 22.713 29.401 -3.280 1.0 9.01 ? 43 PHE A O 1 43 . A ATOM 370 C CB . PHE A 1 43 ? 21.168 28.364 -1.199 1.0 8.68 ? 43 PHE A CB 1 43 . A ATOM 371 C CG . PHE A 1 43 ? 20.191 27.773 -0.248 1.0 8.04 ? 43 PHE A CG 1 43 . A ATOM 372 C CD1 . PHE A 1 43 ? 19.571 26.578 -0.558 1.0 9.18 ? 43 PHE A CD1 1 43 . A ATOM 373 C CD2 . PHE A 1 43 ? 19.906 28.418 0.941 1.0 8.49 ? 43 PHE A CD2 1 43 . A ATOM 374 C CE1 . PHE A 1 43 ? 18.721 26.006 0.361 1.0 10.4 ? 43 PHE A CE1 1 43 . A ATOM 375 C CE2 . PHE A 1 43 ? 19.022 27.813 1.845 1.0 9.8 ? 43 PHE A CE2 1 43 . A ATOM 376 C CZ . PHE A 1 43 ? 18.412 26.619 1.539 1.0 10.44 ? 43 PHE A CZ 1 43 . A ATOM 377 N N . ASP A 1 44 ? 21.549 31.298 -3.222 1.0 13.09 ? 44 ASP A N 1 44 . A ATOM 378 C CA . ASP A 1 44 ? 22.672 32.102 -3.726 1.0 16.3 ? 44 ASP A CA 1 44 . A ATOM 379 C C . ASP A 1 44 ? 23.901 31.943 -2.810 1.0 15.04 ? 44 ASP A C 1 44 . A ATOM 380 O O . ASP A 1 44 ? 25.000 31.958 -3.372 1.0 16.16 ? 44 ASP A O 1 44 . A ATOM 381 C CB . ASP A 1 44 ? 22.237 33.575 -3.833 1.0 18.02 ? 44 ASP A CB 1 44 . A ATOM 382 C CG . ASP A 1 44 ? 21.326 33.784 -5.013 1.0 23.32 ? 44 ASP A CG 1 44 . A ATOM 383 O OD1 . ASP A 1 44 ? 21.033 32.892 -5.845 1.0 27.24 ? 44 ASP A OD1 1 44 . A ATOM 384 O OD2 . ASP A 1 44 ? 20.842 34.938 -5.068 1.0 34.45 ? 44 ASP A OD2 1 44 . A ATOM 385 N N . ARG A 1 45 ? 23.773 31.785 -1.486 1.0 14.1 ? 45 ARG A N 1 45 . A ATOM 386 C CA . ARG A 1 45 ? 24.855 31.645 -0.546 1.0 16.07 ? 45 ARG A CA 1 45 . A ATOM 387 C C . ARG A 1 45 ? 25.640 30.397 -0.802 1.0 12.18 ? 45 ARG A C 1 45 . A ATOM 388 O O . ARG A 1 45 ? 26.787 30.325 -0.382 1.0 14.49 ? 45 ARG A O 1 45 . A ATOM 389 C CB . ARG A 1 45 ? 24.381 31.520 0.935 1.0 18.24 ? 45 ARG A CB 1 45 . A ATOM 390 C CG . ARG A 1 45 ? 24.167 32.765 1.701 1.0 21.18 ? 45 ARG A CG 1 45 . A ATOM 391 C CD . ARG A 1 45 ? 23.242 32.692 2.901 1.0 20.86 ? 45 ARG A CD 1 45 . A ATOM 392 N NE . ARG A 1 45 ? 24.001 32.330 4.111 1.0 16.7 ? 45 ARG A NE 1 45 . A ATOM 393 C CZ . ARG A 1 45 ? 23.381 32.203 5.305 1.0 19.04 ? 45 ARG A CZ 1 45 . A ATOM 394 N NH1 . ARG A 1 45 ? 22.093 32.413 5.415 1.0 22.22 ? 45 ARG A NH1 1 45 . A ATOM 395 N NH2 . ARG A 1 45 ? 24.130 31.841 6.363 1.0 22.01 ? 45 ARG A NH2 1 45 . A ATOM 396 N N . PHE A 1 46 ? 24.967 29.351 -1.325 1.0 9.21 ? 46 PHE A N 1 46 . A ATOM 397 C CA . PHE A 1 46 ? 25.554 28.009 -1.284 1.0 8.71 ? 46 PHE A CA 1 46 . A ATOM 398 C C . PHE A 1 46 ? 25.763 27.367 -2.626 1.0 9.27 ? 46 PHE A C 1 46 . A ATOM 399 O O . PHE A 1 46 ? 26.447 26.342 -2.706 1.0 9.38 ? 46 PHE A O 1 46 . A ATOM 400 C CB . PHE A 1 46 ? 24.754 27.055 -0.348 1.0 8.85 ? 46 PHE A CB 1 46 . A ATOM 401 C CG . PHE A 1 46 ? 24.597 27.593 1.041 1.0 8.89 ? 46 PHE A CG 1 46 . A ATOM 402 C CD1 . PHE A 1 46 ? 25.675 28.055 1.740 1.0 8.59 ? 46 PHE A CD1 1 46 . A ATOM 403 C CD2 . PHE A 1 46 ? 23.353 27.690 1.644 1.0 10.29 ? 46 PHE A CD2 1 46 . A ATOM 404 C CE1 . PHE A 1 46 ? 25.526 28.608 3.005 1.0 10.18 ? 46 PHE A CE1 1 46 . A ATOM 405 C CE2 . PHE A 1 46 ? 23.187 28.236 2.915 1.0 11.73 ? 46 PHE A CE2 1 46 . A ATOM 406 C CZ . PHE A 1 46 ? 24.294 28.685 3.603 1.0 10.15 ? 46 PHE A CZ 1 46 . A ATOM 407 N N . LYS A 1 47 ? 25.204 27.913 -3.667 1.0 9.75 ? 47 LYS A N 1 47 . A ATOM 408 C CA . LYS A 1 47 ? 25.246 27.211 -4.946 1.0 11.65 ? 47 LYS A CA 1 47 . A ATOM 409 C C . LYS A 1 47 ? 26.656 27.120 -5.541 1.0 11.61 ? 47 LYS A C 1 47 . A ATOM 410 O O . LYS A 1 47 ? 26.905 26.277 -6.429 1.0 15.36 ? 47 LYS A O 1 47 . A ATOM 411 C CB A LYS A 1 47 ? 24.145 27.775 -5.786 0.68 13.34 ? 47 LYS A CB 1 47 . A ATOM 412 C CB B LYS A 1 47 ? 24.399 27.936 -5.980 0.32 16.06 ? 47 LYS A CB 1 47 . A ATOM 413 C CG A LYS A 1 47 ? 24.357 29.143 -6.395 0.68 15.88 ? 47 LYS A CG 1 47 . A ATOM 414 C CG B LYS A 1 47 ? 24.544 29.439 -6.061 0.32 14.52 ? 47 LYS A CG 1 47 . A ATOM 415 C CD A LYS A 1 47 ? 23.165 29.630 -7.176 0.68 21.17 ? 47 LYS A CD 1 47 . A ATOM 416 C CD B LYS A 1 47 ? 23.460 30.071 -6.936 0.32 18.12 ? 47 LYS A CD 1 47 . A ATOM 417 C CE A LYS A 1 47 ? 23.468 30.812 -8.081 0.68 27.23 ? 47 LYS A CE 1 47 . A ATOM 418 C CE B LYS A 1 47 ? 23.920 31.470 -7.347 0.32 20.21 ? 47 LYS A CE 1 47 . A ATOM 419 N NZ A LYS A 1 47 ? 22.281 31.062 -8.935 0.68 46.37 ? 47 LYS A NZ 1 47 . A ATOM 420 N NZ B LYS A 1 47 ? 24.668 31.369 -8.637 0.32 25.0 ? 47 LYS A NZ 1 47 . A ATOM 421 N N . HIS A 1 48 ? 27.642 27.836 -4.999 1.0 10.16 ? 48 HIS A N 1 48 . A ATOM 422 C CA . HIS A 1 48 ? 29.042 27.646 -5.398 1.0 11.78 ? 48 HIS A CA 1 48 . A ATOM 423 C C . HIS A 1 48 ? 29.612 26.321 -4.932 1.0 12.0 ? 48 HIS A C 1 48 . A ATOM 424 O O . HIS A 1 48 ? 30.702 25.900 -5.342 1.0 17.17 ? 48 HIS A O 1 48 . A ATOM 425 C CB . HIS A 1 48 ? 29.925 28.745 -4.873 1.0 11.76 ? 48 HIS A CB 1 48 . A ATOM 426 C CG . HIS A 1 48 ? 30.169 28.786 -3.396 1.0 10.83 ? 48 HIS A CG 1 48 . A ATOM 427 N ND1 . HIS A 1 48 ? 29.302 29.364 -2.494 1.0 12.2 ? 48 HIS A ND1 1 48 . A ATOM 428 C CD2 . HIS A 1 48 ? 31.197 28.269 -2.646 1.0 12.19 ? 48 HIS A CD2 1 48 . A ATOM 429 C CE1 . HIS A 1 48 ? 29.805 29.205 -1.280 1.0 12.89 ? 48 HIS A CE1 1 48 . A ATOM 430 N NE2 . HIS A 1 48 ? 30.936 28.532 -1.321 1.0 12.37 ? 48 HIS A NE2 1 48 . A ATOM 431 N N . LEU A 1 49 ? 28.994 25.667 -3.955 1.0 9.68 ? 49 LEU A N 1 49 . A ATOM 432 C CA . LEU A 1 49 ? 29.487 24.404 -3.403 1.0 9.52 ? 49 LEU A CA 1 49 . A ATOM 433 C C . LEU A 1 49 ? 29.201 23.247 -4.372 1.0 10.58 ? 49 LEU A C 1 49 . A ATOM 434 O O . LEU A 1 49 ? 28.071 23.037 -4.802 1.0 14.78 ? 49 LEU A O 1 49 . A ATOM 435 C CB . LEU A 1 49 ? 28.826 24.173 -2.062 1.0 9.42 ? 49 LEU A CB 1 49 . A ATOM 436 C CG . LEU A 1 49 ? 29.087 25.234 -1.012 1.0 9.17 ? 49 LEU A CG 1 49 . A ATOM 437 C CD1 . LEU A 1 49 ? 28.143 25.121 0.162 1.0 10.47 ? 49 LEU A CD1 1 49 . A ATOM 438 C CD2 . LEU A 1 49 ? 30.517 25.235 -0.511 1.0 10.13 ? 49 LEU A CD2 1 49 . A ATOM 439 N N . LYS A 1 50 ? 30.256 22.487 -4.736 1.0 10.39 ? 50 LYS A N 1 50 . A ATOM 440 C CA . LYS A 1 50 ? 30.184 21.492 -5.800 1.0 11.78 ? 50 LYS A CA 1 50 . A ATOM 441 C C . LYS A 1 50 ? 30.467 20.048 -5.335 1.0 11.37 ? 50 LYS A C 1 50 . A ATOM 442 O O . LYS A 1 50 ? 30.231 19.102 -6.145 1.0 12.69 ? 50 LYS A O 1 50 . A ATOM 443 C CB . LYS A 1 50 ? 31.271 21.780 -6.891 1.0 18.7 ? 50 LYS A CB 1 50 . A ATOM 444 C CG . LYS A 1 50 ? 31.192 23.120 -7.526 1.0 24.11 ? 50 LYS A CG 1 50 . A ATOM 445 C CD . LYS A 1 50 ? 29.865 23.625 -8.043 1.0 28.02 ? 50 LYS A CD 1 50 . A ATOM 446 C CE . LYS A 1 50 ? 30.072 25.092 -8.456 1.0 32.97 ? 50 LYS A CE 1 50 . A ATOM 447 N NZ . LYS A 1 50 ? 28.773 25.773 -8.659 1.0 40.86 ? 50 LYS A NZ 1 50 . A ATOM 448 N N . THR A 1 51 ? 31.035 19.944 -4.079 1.0 8.96 ? 51 THR A N 1 51 . A ATOM 449 C CA . THR A 1 51 ? 31.347 18.646 -3.495 1.0 8.96 ? 51 THR A CA 1 51 . A ATOM 450 C C . THR A 1 51 ? 30.857 18.596 -2.057 1.0 7.74 ? 51 THR A C 1 51 . A ATOM 451 O O . THR A 1 51 ? 30.717 19.602 -1.369 1.0 8.18 ? 51 THR A O 1 51 . A ATOM 452 C CB . THR A 1 51 ? 32.879 18.348 -3.510 1.0 9.73 ? 51 THR A CB 1 51 . A ATOM 453 O OG1 . THR A 1 51 ? 33.459 19.178 -2.518 1.0 9.75 ? 51 THR A OG1 1 51 . A ATOM 454 C CG2 . THR A 1 51 ? 33.509 18.587 -4.849 1.0 10.28 ? 51 THR A CG2 1 51 . A ATOM 455 N N . GLU A 1 52 ? 30.692 17.359 -1.576 1.0 7.73 ? 52 GLU A N 1 52 . A ATOM 456 C CA . GLU A 1 52 ? 30.343 17.167 -0.195 1.0 7.66 ? 52 GLU A CA 1 52 . A ATOM 457 C C . GLU A 1 52 ? 31.409 17.728 0.766 1.0 7.66 ? 52 GLU A C 1 52 . A ATOM 458 O O . GLU A 1 52 ? 31.078 18.317 1.792 1.0 8.65 ? 52 GLU A O 1 52 . A ATOM 459 C CB . GLU A 1 52 ? 30.083 15.676 0.073 1.0 8.13 ? 52 GLU A CB 1 52 . A ATOM 460 C CG . GLU A 1 52 ? 29.711 15.381 1.480 1.0 9.34 ? 52 GLU A CG 1 52 . A ATOM 461 C CD . GLU A 1 52 ? 29.152 13.991 1.723 1.0 11.26 ? 52 GLU A CD 1 52 . A ATOM 462 O OE1 . GLU A 1 52 ? 29.104 13.160 0.758 1.0 13.23 ? 52 GLU A OE1 1 52 . A ATOM 463 O OE2 . GLU A 1 52 ? 28.737 13.708 2.873 1.0 17.32 ? 52 GLU A OE2 1 52 . A ATOM 464 N N . ALA A 1 53 ? 32.691 17.533 0.425 1.0 8.5 ? 53 ALA A N 1 53 . A ATOM 465 C CA . ALA A 1 53 ? 33.737 18.078 1.267 1.0 9.32 ? 53 ALA A CA 1 53 . A ATOM 466 C C . ALA A 1 53 ? 33.663 19.594 1.350 1.0 8.5 ? 53 ALA A C 1 53 . A ATOM 467 O O . ALA A 1 53 ? 33.828 20.166 2.443 1.0 8.94 ? 53 ALA A O 1 53 . A ATOM 468 C CB . ALA A 1 53 ? 35.104 17.655 0.743 1.0 12.29 ? 53 ALA A CB 1 53 . A ATOM 469 N N . GLU A 1 54 ? 33.358 20.274 0.228 1.0 8.14 ? 54 GLU A N 1 54 . A ATOM 470 C CA . GLU A 1 54 ? 33.209 21.712 0.266 1.0 7.81 ? 54 GLU A CA 1 54 . A ATOM 471 C C . GLU A 1 54 ? 32.032 22.107 1.146 1.0 7.13 ? 54 GLU A C 1 54 . A ATOM 472 O O . GLU A 1 54 ? 32.116 23.083 1.914 1.0 7.83 ? 54 GLU A O 1 54 . A ATOM 473 C CB . GLU A 1 54 ? 32.977 22.297 -1.144 1.0 8.45 ? 54 GLU A CB 1 54 . A ATOM 474 C CG . GLU A 1 54 ? 34.232 22.286 -1.985 1.0 10.0 ? 54 GLU A CG 1 54 . A ATOM 475 C CD . GLU A 1 54 ? 33.974 22.626 -3.441 1.0 11.32 ? 54 GLU A CD 1 54 . A ATOM 476 O OE1 . GLU A 1 54 ? 32.842 22.880 -3.874 1.0 15.2 ? 54 GLU A OE1 1 54 . A ATOM 477 O OE2 . GLU A 1 54 ? 34.981 22.652 -4.239 1.0 16.37 ? 54 GLU A OE2 1 54 . A ATOM 478 N N . MET A 1 55 ? 30.922 21.377 1.049 1.0 6.67 ? 55 MET A N 1 55 . A ATOM 479 C CA . MET A 1 55 ? 29.783 21.655 1.892 1.0 6.73 ? 55 MET A CA 1 55 . A ATOM 480 C C . MET A 1 55 ? 30.133 21.523 3.374 1.0 7.25 ? 55 MET A C 1 55 . A ATOM 481 O O . MET A 1 55 ? 29.761 22.386 4.188 1.0 7.64 ? 55 MET A O 1 55 . A ATOM 482 C CB . MET A 1 55 ? 28.613 20.740 1.516 1.0 6.47 ? 55 MET A CB 1 55 . A ATOM 483 C CG . MET A 1 55 ? 28.066 20.969 0.126 1.0 7.25 ? 55 MET A CG 1 55 . A ATOM 484 S SD . MET A 1 55 ? 26.871 19.672 -0.277 1.0 8.79 ? 55 MET A SD 1 55 . A ATOM 485 C CE . MET A 1 55 ? 26.628 19.995 -2.030 1.0 12.14 ? 55 MET A CE 1 55 . A ATOM 486 N N . LYS A 1 56 ? 30.832 20.434 3.716 1.0 7.39 ? 56 LYS A N 1 56 . A ATOM 487 C CA . LYS A 1 56 ? 31.173 20.193 5.111 1.0 9.18 ? 56 LYS A CA 1 56 . A ATOM 488 C C . LYS A 1 56 ? 32.157 21.240 5.655 1.0 9.57 ? 56 LYS A C 1 56 . A ATOM 489 O O . LYS A 1 56 ? 32.146 21.512 6.848 1.0 13.37 ? 56 LYS A O 1 56 . A ATOM 490 C CB A LYS A 1 56 ? 31.737 18.765 5.215 0.47 10.36 ? 56 LYS A CB 1 56 . A ATOM 491 C CB B LYS A 1 56 ? 31.792 18.811 5.263 0.53 10.75 ? 56 LYS A CB 1 56 . A ATOM 492 C CG A LYS A 1 56 ? 30.830 17.575 5.388 0.47 12.59 ? 56 LYS A CG 1 56 . A ATOM 493 C CG B LYS A 1 56 ? 31.070 17.608 4.764 0.53 14.26 ? 56 LYS A CG 1 56 . A ATOM 494 C CD A LYS A 1 56 ? 31.444 16.209 5.200 0.47 14.7 ? 56 LYS A CD 1 56 . A ATOM 495 C CD B LYS A 1 56 ? 30.711 16.725 5.930 0.53 18.5 ? 56 LYS A CD 1 56 . A ATOM 496 C CE A LYS A 1 56 ? 30.389 15.118 5.395 0.47 17.03 ? 56 LYS A CE 1 56 . A ATOM 497 C CE B LYS A 1 56 ? 31.353 17.228 7.218 0.53 24.37 ? 56 LYS A CE 1 56 . A ATOM 498 N NZ A LYS A 1 56 ? 29.156 15.218 4.598 0.47 23.7 ? 56 LYS A NZ 1 56 . A ATOM 499 N NZ B LYS A 1 56 ? 30.608 18.411 7.738 0.53 19.0 ? 56 LYS A NZ 1 56 . A ATOM 500 N N . ALA A 1 57 ? 32.952 21.864 4.768 1.0 7.75 ? 57 ALA A N 1 57 . A ATOM 501 C CA . ALA A 1 57 ? 33.926 22.865 5.171 1.0 8.03 ? 57 ALA A CA 1 57 . A ATOM 502 C C . ALA A 1 57 ? 33.334 24.274 5.227 1.0 7.71 ? 57 ALA A C 1 57 . A ATOM 503 O O . ALA A 1 57 ? 34.107 25.210 5.532 1.0 10.38 ? 57 ALA A O 1 57 . A ATOM 504 C CB . ALA A 1 57 ? 35.091 22.835 4.205 1.0 9.86 ? 57 ALA A CB 1 57 . A ATOM 505 N N . SER A 1 58 ? 32.106 24.483 4.846 1.0 6.63 ? 58 SER A N 1 58 . A ATOM 506 C CA . SER A 1 58 ? 31.540 25.829 4.823 1.0 6.36 ? 58 SER A CA 1 58 . A ATOM 507 C C . SER A 1 58 ? 30.925 26.233 6.162 1.0 6.36 ? 58 SER A C 1 58 . A ATOM 508 O O . SER A 1 58 ? 29.927 25.647 6.622 1.0 6.59 ? 58 SER A O 1 58 . A ATOM 509 C CB . SER A 1 58 ? 30.452 25.910 3.734 1.0 6.73 ? 58 SER A CB 1 58 . A ATOM 510 O OG . SER A 1 58 ? 29.751 27.138 3.843 1.0 6.87 ? 58 SER A OG 1 58 . A ATOM 511 N N . GLU A 1 59 ? 31.529 27.207 6.799 1.0 6.73 ? 59 GLU A N 1 59 . A ATOM 512 C CA . GLU A 1 59 ? 31.010 27.703 8.081 1.0 7.15 ? 59 GLU A CA 1 59 . A ATOM 513 C C . GLU A 1 59 ? 29.694 28.384 7.860 1.0 6.79 ? 59 GLU A C 1 59 . A ATOM 514 O O . GLU A 1 59 ? 28.793 28.306 8.715 1.0 7.74 ? 59 GLU A O 1 59 . A ATOM 515 C CB . GLU A 1 59 ? 32.017 28.637 8.754 1.0 7.8 ? 59 GLU A CB 1 59 . A ATOM 516 C CG . GLU A 1 59 ? 31.646 28.946 10.161 1.0 8.29 ? 59 GLU A CG 1 59 . A ATOM 517 C CD . GLU A 1 59 ? 31.672 27.803 11.130 1.0 8.32 ? 59 GLU A CD 1 59 . A ATOM 518 O OE1 . GLU A 1 59 ? 32.171 26.699 10.764 1.0 9.05 ? 59 GLU A OE1 1 59 . A ATOM 519 O OE2 . GLU A 1 59 ? 31.226 27.959 12.296 1.0 10.4 ? 59 GLU A OE2 1 59 . A ATOM 520 N N . ASP A 1 60 ? 29.521 29.060 6.738 1.0 7.07 ? 60 ASP A N 1 60 . A ATOM 521 C CA . ASP A 1 60 ? 28.253 29.741 6.460 1.0 7.49 ? 60 ASP A CA 1 60 . A ATOM 522 C C . ASP A 1 60 ? 27.123 28.722 6.379 1.0 6.44 ? 60 ASP A C 1 60 . A ATOM 523 O O . ASP A 1 60 ? 26.021 28.966 6.838 1.0 6.82 ? 60 ASP A O 1 60 . A ATOM 524 C CB . ASP A 1 60 ? 28.425 30.546 5.171 1.0 9.74 ? 60 ASP A CB 1 60 . A ATOM 525 C CG . ASP A 1 60 ? 27.282 31.603 5.155 1.0 12.46 ? 60 ASP A CG 1 60 . A ATOM 526 O OD1 . ASP A 1 60 ? 27.040 32.282 6.190 1.0 14.97 ? 60 ASP A OD1 1 60 . A ATOM 527 O OD2 . ASP A 1 60 ? 26.663 31.740 4.127 1.0 17.41 ? 60 ASP A OD2 1 60 . A ATOM 528 N N . LEU A 1 61 ? 27.398 27.567 5.732 1.0 6.35 ? 61 LEU A N 1 61 . A ATOM 529 C CA . LEU A 1 61 ? 26.379 26.516 5.654 1.0 6.49 ? 61 LEU A CA 1 61 . A ATOM 530 C C . LEU A 1 61 ? 26.022 26.007 7.051 1.0 5.66 ? 61 LEU A C 1 61 . A ATOM 531 O O . LEU A 1 61 ? 24.857 25.794 7.382 1.0 6.12 ? 61 LEU A O 1 61 . A ATOM 532 C CB A LEU A 1 61 ? 26.812 25.415 4.678 0.66 5.84 ? 61 LEU A CB 1 61 . A ATOM 533 C CB B LEU A 1 61 ? 26.940 25.348 4.816 0.34 6.36 ? 61 LEU A CB 1 61 . A ATOM 534 C CG A LEU A 1 61 ? 25.737 24.307 4.483 0.66 6.49 ? 61 LEU A CG 1 61 . A ATOM 535 C CG B LEU A 1 61 ? 26.002 24.161 4.547 0.34 6.39 ? 61 LEU A CG 1 61 . A ATOM 536 C CD1 A LEU A 1 61 ? 24.492 24.957 3.919 0.66 8.45 ? 61 LEU A CD1 1 61 . A ATOM 537 C CD1 B LEU A 1 61 ? 26.385 23.507 3.230 0.34 6.73 ? 61 LEU A CD1 1 61 . A ATOM 538 C CD2 A LEU A 1 61 ? 26.271 23.180 3.615 0.66 9.25 ? 61 LEU A CD2 1 61 . A ATOM 539 C CD2 B LEU A 1 61 ? 25.983 23.093 5.645 0.34 6.38 ? 61 LEU A CD2 1 61 . A ATOM 540 N N . LYS A 1 62 ? 27.048 25.791 7.896 1.0 5.95 ? 62 LYS A N 1 62 . A ATOM 541 C CA . LYS A 1 62 ? 26.833 25.354 9.250 1.0 6.02 ? 62 LYS A CA 1 62 . A ATOM 542 C C . LYS A 1 62 ? 25.969 26.343 10.027 1.0 5.94 ? 62 LYS A C 1 62 . A ATOM 543 O O . LYS A 1 62 ? 25.024 25.959 10.748 1.0 6.91 ? 62 LYS A O 1 62 . A ATOM 544 C CB . LYS A 1 62 ? 28.179 25.141 9.940 1.0 6.82 ? 62 LYS A CB 1 62 . A ATOM 545 C CG . LYS A 1 62 ? 28.121 24.493 11.293 1.0 7.48 ? 62 LYS A CG 1 62 . A ATOM 546 C CD . LYS A 1 62 ? 29.530 24.193 11.799 1.0 8.73 ? 62 LYS A CD 1 62 . A ATOM 547 C CE . LYS A 1 62 ? 29.516 23.514 13.129 1.0 8.58 ? 62 LYS A CE 1 62 . A ATOM 548 N NZ . LYS A 1 62 ? 30.885 23.123 13.550 1.0 9.6 ? 62 LYS A NZ 1 62 . A ATOM 549 N N . LYS A 1 63 ? 26.234 27.644 9.879 1.0 6.38 ? 63 LYS A N 1 63 . A ATOM 550 C CA . LYS A 1 63 ? 25.434 28.671 10.530 1.0 7.36 ? 63 LYS A CA 1 63 . A ATOM 551 C C . LYS A 1 63 ? 24.014 28.592 10.074 1.0 6.58 ? 63 LYS A C 1 63 . A ATOM 552 O O . LYS A 1 63 ? 23.064 28.723 10.862 1.0 7.54 ? 63 LYS A O 1 63 . A ATOM 553 C CB A LYS A 1 63 ? 25.970 30.082 10.167 0.59 8.93 ? 63 LYS A CB 1 63 . A ATOM 554 C CB B LYS A 1 63 ? 26.064 30.052 10.188 0.41 9.31 ? 63 LYS A CB 1 63 . A ATOM 555 C CG A LYS A 1 63 ? 27.126 30.417 11.077 0.59 11.71 ? 63 LYS A CG 1 63 . A ATOM 556 C CG B LYS A 1 63 ? 25.507 31.114 11.104 0.41 10.1 ? 63 LYS A CG 1 63 . A ATOM 557 C CD A LYS A 1 63 ? 27.765 31.709 10.589 0.59 15.51 ? 63 LYS A CD 1 63 . A ATOM 558 C CD B LYS A 1 63 ? 26.349 32.358 11.186 0.41 11.97 ? 63 LYS A CD 1 63 . A ATOM 559 C CE A LYS A 1 63 ? 26.810 32.844 10.467 0.59 15.38 ? 63 LYS A CE 1 63 . A ATOM 560 C CE B LYS A 1 63 ? 26.681 33.026 9.868 0.41 18.96 ? 63 LYS A CE 1 63 . A ATOM 561 N NZ A LYS A 1 63 ? 26.388 33.542 11.695 0.59 26.57 ? 63 LYS A NZ 1 63 . A ATOM 562 N NZ B LYS A 1 63 ? 27.229 34.404 10.050 0.41 19.91 ? 63 LYS A NZ 1 63 . A ATOM 563 N N . HIS A 1 64 ? 23.794 28.457 8.761 1.0 6.88 ? 64 HIS A N 1 64 . A ATOM 564 C CA . HIS A 1 64 ? 22.424 28.365 8.264 1.0 6.91 ? 64 HIS A CA 1 64 . A ATOM 565 C C . HIS A 1 64 ? 21.689 27.139 8.785 1.0 6.48 ? 64 HIS A C 1 64 . A ATOM 566 O O . HIS A 1 64 ? 20.495 27.202 9.112 1.0 7.0 ? 64 HIS A O 1 64 . A ATOM 567 C CB A HIS A 1 64 ? 22.389 28.601 6.796 0.5 5.99 ? 64 HIS A CB 1 64 . A ATOM 568 C CB B HIS A 1 64 ? 22.377 28.301 6.677 0.5 6.03 ? 64 HIS A CB 1 64 . A ATOM 569 C CG A HIS A 1 64 ? 21.014 28.662 6.299 0.5 6.35 ? 64 HIS A CG 1 64 . A ATOM 570 C CG B HIS A 1 64 ? 21.023 28.246 6.139 0.5 6.28 ? 64 HIS A CG 1 64 . A ATOM 571 N ND1 A HIS A 1 64 ? 20.201 29.698 6.672 0.5 7.41 ? 64 HIS A ND1 1 64 . A ATOM 572 N ND1 B HIS A 1 64 ? 20.079 29.230 6.328 0.5 7.0 ? 64 HIS A ND1 1 64 . A ATOM 573 C CD2 A HIS A 1 64 ? 20.284 27.770 5.568 0.5 7.92 ? 64 HIS A CD2 1 64 . A ATOM 574 C CD2 B HIS A 1 64 ? 20.431 27.247 5.442 0.5 6.93 ? 64 HIS A CD2 1 64 . A ATOM 575 C CE1 A HIS A 1 64 ? 19.007 29.465 6.113 0.5 7.23 ? 64 HIS A CE1 1 64 . A ATOM 576 C CE1 B HIS A 1 64 ? 18.912 28.824 5.801 0.5 6.17 ? 64 HIS A CE1 1 64 . A ATOM 577 N NE2 A HIS A 1 64 ? 19.031 28.290 5.418 0.5 7.97 ? 64 HIS A NE2 1 64 . A ATOM 578 N NE2 B HIS A 1 64 ? 19.135 27.618 5.227 0.5 6.87 ? 64 HIS A NE2 1 64 . A ATOM 579 N N . GLY A 1 65 ? 22.399 25.984 8.892 1.0 6.08 ? 65 GLY A N 1 65 . A ATOM 580 C CA . GLY A 1 65 ? 21.755 24.840 9.442 1.0 6.57 ? 65 GLY A CA 1 65 . A ATOM 581 C C . GLY A 1 65 ? 21.259 25.057 10.868 1.0 6.28 ? 65 GLY A C 1 65 . A ATOM 582 O O . GLY A 1 65 ? 20.189 24.597 11.245 1.0 6.32 ? 65 GLY A O 1 65 . A ATOM 583 N N . VAL A 1 66 ? 22.026 25.831 11.664 1.0 7.03 ? 66 VAL A N 1 66 . A ATOM 584 C CA . VAL A 1 66 ? 21.554 26.207 12.989 1.0 7.39 ? 66 VAL A CA 1 66 . A ATOM 585 C C . VAL A 1 66 ? 20.298 27.058 12.894 1.0 7.13 ? 66 VAL A C 1 66 . A ATOM 586 O O . VAL A 1 66 ? 19.336 26.821 13.659 1.0 7.94 ? 66 VAL A O 1 66 . A ATOM 587 C CB . VAL A 1 66 ? 22.651 26.946 13.797 1.0 8.67 ? 66 VAL A CB 1 66 . A ATOM 588 C CG1 . VAL A 1 66 ? 22.103 27.483 15.098 1.0 10.49 ? 66 VAL A CG1 1 66 . A ATOM 589 C CG2 . VAL A 1 66 ? 23.825 25.989 14.047 1.0 10.22 ? 66 VAL A CG2 1 66 . A ATOM 590 N N . THR A 1 67 ? 20.257 28.035 11.999 1.0 7.27 ? 67 THR A N 1 67 . A ATOM 591 C CA . THR A 1 67 ? 19.055 28.848 11.830 1.0 7.44 ? 67 THR A CA 1 67 . A ATOM 592 C C . THR A 1 67 ? 17.831 27.967 11.526 1.0 6.57 ? 67 THR A C 1 67 . A ATOM 593 O O . THR A 1 67 ? 16.762 28.140 12.122 1.0 7.79 ? 67 THR A O 1 67 . A ATOM 594 C CB . THR A 1 67 ? 19.293 29.882 10.734 1.0 8.44 ? 67 THR A CB 1 67 . A ATOM 595 O OG1 . THR A 1 67 ? 20.345 30.718 11.209 1.0 11.45 ? 67 THR A OG1 1 67 . A ATOM 596 C CG2 . THR A 1 67 ? 18.024 30.655 10.410 1.0 10.12 ? 67 THR A CG2 1 67 . A ATOM 597 N N . VAL A 1 68 ? 17.992 27.041 10.592 1.0 6.09 ? 68 VAL A N 1 68 . A ATOM 598 C CA . VAL A 1 68 ? 16.871 26.185 10.188 1.0 5.62 ? 68 VAL A CA 1 68 . A ATOM 599 C C . VAL A 1 68 ? 16.385 25.334 11.335 1.0 5.66 ? 68 VAL A C 1 68 . A ATOM 600 O O . VAL A 1 68 ? 15.184 25.276 11.650 1.0 5.95 ? 68 VAL A O 1 68 . A ATOM 601 C CB . VAL A 1 68 ? 17.274 25.305 8.988 1.0 5.96 ? 68 VAL A CB 1 68 . A ATOM 602 C CG1 . VAL A 1 68 ? 16.175 24.317 8.651 1.0 6.76 ? 68 VAL A CG1 1 68 . A ATOM 603 C CG2 . VAL A 1 68 ? 17.610 26.164 7.792 1.0 7.05 ? 68 VAL A CG2 1 68 . A ATOM 604 N N . LEU A 1 69 ? 17.296 24.637 12.013 1.0 5.78 ? 69 LEU A N 1 69 . A ATOM 605 C CA . LEU A 1 69 ? 16.889 23.715 13.063 1.0 6.51 ? 69 LEU A CA 1 69 . A ATOM 606 C C . LEU A 1 69 ? 16.386 24.442 14.287 1.0 6.57 ? 69 LEU A C 1 69 . A ATOM 607 O O . LEU A 1 69 ? 15.519 23.945 15.007 1.0 7.44 ? 69 LEU A O 1 69 . A ATOM 608 C CB . LEU A 1 69 ? 17.978 22.738 13.429 1.0 7.11 ? 69 LEU A CB 1 69 . A ATOM 609 C CG . LEU A 1 69 ? 18.382 21.778 12.294 1.0 7.82 ? 69 LEU A CG 1 69 . A ATOM 610 C CD1 . LEU A 1 69 ? 19.325 20.739 12.893 1.0 8.72 ? 69 LEU A CD1 1 69 . A ATOM 611 C CD2 . LEU A 1 69 ? 17.198 21.090 11.613 1.0 9.11 ? 69 LEU A CD2 1 69 . A ATOM 612 N N . THR A 1 70 ? 16.897 25.644 14.564 1.0 7.01 ? 70 THR A N 1 70 . A ATOM 613 C CA . THR A 1 70 ? 16.389 26.446 15.680 1.0 8.5 ? 70 THR A CA 1 70 . A ATOM 614 C C . THR A 1 70 ? 14.929 26.800 15.412 1.0 7.44 ? 70 THR A C 1 70 . A ATOM 615 O O . THR A 1 70 ? 14.093 26.685 16.330 1.0 8.14 ? 70 THR A O 1 70 . A ATOM 616 C CB . THR A 1 70 ? 17.253 27.730 15.866 1.0 10.67 ? 70 THR A CB 1 70 . A ATOM 617 O OG1 . THR A 1 70 ? 18.569 27.306 16.211 1.0 14.06 ? 70 THR A OG1 1 70 . A ATOM 618 C CG2 . THR A 1 70 ? 16.719 28.615 16.950 1.0 15.4 ? 70 THR A CG2 1 70 . A ATOM 619 N N . ALA A 1 71 ? 14.615 27.221 14.187 1.0 7.21 ? 71 ALA A N 1 71 . A ATOM 620 C CA . ALA A 1 71 ? 13.215 27.552 13.842 1.0 7.08 ? 71 ALA A CA 1 71 . A ATOM 621 C C . ALA A 1 71 ? 12.357 26.294 13.964 1.0 6.44 ? 71 ALA A C 1 71 . A ATOM 622 O O . ALA A 1 71 ? 11.231 26.358 14.489 1.0 7.03 ? 71 ALA A O 1 71 . A ATOM 623 C CB . ALA A 1 71 ? 13.142 28.175 12.477 1.0 8.08 ? 71 ALA A CB 1 71 . A ATOM 624 N N . LEU A 1 72 ? 12.827 25.165 13.422 1.0 6.01 ? 72 LEU A N 1 72 . A ATOM 625 C CA . LEU A 1 72 ? 12.016 23.940 13.482 1.0 6.21 ? 72 LEU A CA 1 72 . A ATOM 626 C C . LEU A 1 72 ? 11.784 23.503 14.906 1.0 6.07 ? 72 LEU A C 1 72 . A ATOM 627 O O . LEU A 1 72 ? 10.689 23.059 15.265 1.0 6.72 ? 72 LEU A O 1 72 . A ATOM 628 C CB . LEU A 1 72 ? 12.676 22.849 12.650 1.0 6.24 ? 72 LEU A CB 1 72 . A ATOM 629 C CG . LEU A 1 72 ? 11.905 21.539 12.609 1.0 7.01 ? 72 LEU A CG 1 72 . A ATOM 630 C CD1 . LEU A 1 72 ? 10.485 21.724 12.040 1.0 9.12 ? 72 LEU A CD1 1 72 . A ATOM 631 C CD2 . LEU A 1 72 ? 12.669 20.528 11.763 1.0 8.61 ? 72 LEU A CD2 1 72 . A ATOM 632 N N . GLY A 1 73 ? 12.806 23.561 15.760 1.0 6.72 ? 73 GLY A N 1 73 . A ATOM 633 C CA . GLY A 1 73 ? 12.641 23.149 17.132 1.0 7.32 ? 73 GLY A CA 1 73 . A ATOM 634 C C . GLY A 1 73 ? 11.597 23.990 17.838 1.0 7.22 ? 73 GLY A C 1 73 . A ATOM 635 O O . GLY A 1 73 ? 10.783 23.490 18.623 1.0 7.93 ? 73 GLY A O 1 73 . A ATOM 636 N N . ALA A 1 74 ? 11.606 25.305 17.583 1.0 7.76 ? 74 ALA A N 1 74 . A ATOM 637 C CA . ALA A 1 74 ? 10.619 26.205 18.214 1.0 8.64 ? 74 ALA A CA 1 74 . A ATOM 638 C C . ALA A 1 74 ? 9.218 25.823 17.798 1.0 8.24 ? 74 ALA A C 1 74 . A ATOM 639 O O . ALA A 1 74 ? 8.284 25.867 18.583 1.0 9.64 ? 74 ALA A O 1 74 . A ATOM 640 C CB . ALA A 1 74 ? 10.927 27.655 17.894 1.0 9.56 ? 74 ALA A CB 1 74 . A ATOM 641 N N . ILE A 1 75 ? 9.049 25.441 16.516 1.0 7.29 ? 75 ILE A N 1 75 . A ATOM 642 C CA . ILE A 1 75 ? 7.759 24.959 16.029 1.0 6.77 ? 75 ILE A CA 1 75 . A ATOM 643 C C . ILE A 1 75 ? 7.387 23.652 16.700 1.0 6.9 ? 75 ILE A C 1 75 . A ATOM 644 O O . ILE A 1 75 ? 6.231 23.520 17.189 1.0 7.92 ? 75 ILE A O 1 75 . A ATOM 645 C CB . ILE A 1 75 ? 7.843 24.799 14.507 1.0 7.26 ? 75 ILE A CB 1 75 . A ATOM 646 C CG1 . ILE A 1 75 ? 7.857 26.145 13.790 1.0 8.86 ? 75 ILE A CG1 1 75 . A ATOM 647 C CG2 . ILE A 1 75 ? 6.701 23.952 13.937 1.0 8.3 ? 75 ILE A CG2 1 75 . A ATOM 648 C CD1 . ILE A 1 75 ? 8.369 26.085 12.380 1.0 10.87 ? 75 ILE A CD1 1 75 . A ATOM 649 N N . LEU A 1 76 ? 8.256 22.660 16.722 1.0 6.86 ? 76 LEU A N 1 76 . A ATOM 650 C CA . LEU A 1 76 ? 7.911 21.336 17.288 1.0 6.79 ? 76 LEU A CA 1 76 . A ATOM 651 C C . LEU A 1 76 ? 7.476 21.484 18.746 1.0 6.99 ? 76 LEU A C 1 76 . A ATOM 652 O O . LEU A 1 76 ? 6.569 20.763 19.179 1.0 7.97 ? 76 LEU A O 1 76 . A ATOM 653 C CB . LEU A 1 76 ? 9.047 20.333 17.126 1.0 7.14 ? 76 LEU A CB 1 76 . A ATOM 654 C CG . LEU A 1 76 ? 9.406 19.972 15.668 1.0 7.26 ? 76 LEU A CG 1 76 . A ATOM 655 C CD1 . LEU A 1 76 ? 10.640 19.100 15.664 1.0 8.99 ? 76 LEU A CD1 1 76 . A ATOM 656 C CD2 . LEU A 1 76 ? 8.263 19.224 15.008 1.0 8.15 ? 76 LEU A CD2 1 76 . A ATOM 657 N N . LYS A 1 77 ? 8.157 22.335 19.506 1.0 7.59 ? 77 LYS A N 1 77 . A ATOM 658 C CA . LYS A 1 77 ? 7.831 22.452 20.926 1.0 8.85 ? 77 LYS A CA 1 77 . A ATOM 659 C C . LYS A 1 77 ? 6.488 23.081 21.197 1.0 8.81 ? 77 LYS A C 1 77 . A ATOM 660 O O . LYS A 1 77 ? 5.968 23.005 22.312 1.0 11.78 ? 77 LYS A O 1 77 . A ATOM 661 C CB . LYS A 1 77 ? 8.957 23.208 21.616 1.0 10.78 ? 77 LYS A CB 1 77 . A ATOM 662 C CG . LYS A 1 77 ? 10.243 22.368 21.674 1.0 11.51 ? 77 LYS A CG 1 77 . A ATOM 663 C CD . LYS A 1 77 ? 11.429 23.219 22.131 1.0 12.87 ? 77 LYS A CD 1 77 . A ATOM 664 C CE . LYS A 1 77 ? 12.713 22.494 21.926 1.0 15.34 ? 77 LYS A CE 1 77 . A ATOM 665 N NZ . LYS A 1 77 ? 13.857 23.345 22.347 1.0 23.06 ? 77 LYS A NZ 1 77 . A ATOM 666 N N . LYS A 1 78 ? 5.854 23.710 20.161 1.0 8.3 ? 78 LYS A N 1 78 . A ATOM 667 C CA . LYS A 1 78 ? 4.499 24.207 20.246 1.0 9.69 ? 78 LYS A CA 1 78 . A ATOM 668 C C . LYS A 1 78 ? 3.494 23.073 20.078 1.0 10.06 ? 78 LYS A C 1 78 . A ATOM 669 O O . LYS A 1 78 ? 2.294 23.342 20.298 1.0 12.22 ? 78 LYS A O 1 78 . A ATOM 670 C CB . LYS A 1 78 ? 4.207 25.289 19.246 1.0 11.11 ? 78 LYS A CB 1 78 . A ATOM 671 C CG . LYS A 1 78 ? 4.990 26.561 19.414 1.0 14.93 ? 78 LYS A CG 1 78 . A ATOM 672 C CD . LYS A 1 78 ? 4.868 27.144 20.795 1.0 23.94 ? 78 LYS A CD 1 78 . A ATOM 673 C CE . LYS A 1 78 ? 3.644 28.044 20.849 1.0 29.2 ? 78 LYS A CE 1 78 . A ATOM 674 N NZ . LYS A 1 78 ? 4.072 29.445 21.138 1.0 42.82 ? 78 LYS A NZ 1 78 . A ATOM 675 N N . LYS A 1 79 ? 3.870 21.869 19.700 1.0 9.02 ? 79 LYS A N 1 79 . A ATOM 676 C CA . LYS A 1 79 ? 2.992 20.719 19.615 1.0 9.2 ? 79 LYS A CA 1 79 . A ATOM 677 C C . LYS A 1 79 ? 1.728 21.048 18.845 1.0 10.07 ? 79 LYS A C 1 79 . A ATOM 678 O O . LYS A 1 79 ? 0.598 20.739 19.236 1.0 11.75 ? 79 LYS A O 1 79 . A ATOM 679 C CB . LYS A 1 79 ? 2.648 20.172 20.988 1.0 9.7 ? 79 LYS A CB 1 79 . A ATOM 680 C CG . LYS A 1 79 ? 3.886 19.734 21.765 1.0 10.61 ? 79 LYS A CG 1 79 . A ATOM 681 C CD . LYS A 1 79 ? 3.654 19.479 23.233 1.0 11.4 ? 79 LYS A CD 1 79 . A ATOM 682 C CE . LYS A 1 79 ? 2.737 18.311 23.503 1.0 11.82 ? 79 LYS A CE 1 79 . A ATOM 683 N NZ . LYS A 1 79 ? 2.435 18.254 24.961 1.0 11.57 ? 79 LYS A NZ 1 79 . A ATOM 684 N N . GLY A 1 80 ? 1.964 21.631 17.656 1.0 10.22 ? 80 GLY A N 1 80 . A ATOM 685 C CA . GLY A 1 80 ? 0.825 21.934 16.771 1.0 11.39 ? 80 GLY A CA 1 80 . A ATOM 686 C C . GLY A 1 80 ? 0.291 23.349 16.917 1.0 10.87 ? 80 GLY A C 1 80 . A ATOM 687 O O . GLY A 1 80 ? -0.332 23.833 15.971 1.0 12.32 ? 80 GLY A O 1 80 . A ATOM 688 N N . HIS A 1 81 ? 0.516 23.992 18.055 1.0 12.07 ? 81 HIS A N 1 81 . A ATOM 689 C CA . HIS A 1 81 ? -0.013 25.350 18.278 1.0 12.53 ? 81 HIS A CA 1 81 . A ATOM 690 C C . HIS A 1 81 ? 0.996 26.372 17.784 1.0 12.0 ? 81 HIS A C 1 81 . A ATOM 691 O O . HIS A 1 81 ? 1.512 27.207 18.547 1.0 13.6 ? 81 HIS A O 1 81 . A ATOM 692 C CB . HIS A 1 81 ? -0.246 25.587 19.762 1.0 14.71 ? 81 HIS A CB 1 81 . A ATOM 693 C CG . HIS A 1 81 ? -1.227 24.643 20.348 1.0 17.3 ? 81 HIS A CG 1 81 . A ATOM 694 N ND1 . HIS A 1 81 ? -2.477 25.102 20.544 1.0 27.15 ? 81 HIS A ND1 1 81 . A ATOM 695 C CD2 . HIS A 1 81 ? -1.174 23.369 20.805 1.0 21.37 ? 81 HIS A CD2 1 81 . A ATOM 696 C CE1 . HIS A 1 81 ? -3.192 24.128 21.073 1.0 30.64 ? 81 HIS A CE1 1 81 . A ATOM 697 N NE2 . HIS A 1 81 ? -2.426 23.039 21.246 1.0 27.78 ? 81 HIS A NE2 1 81 . A ATOM 698 N N . HIS A 1 82 ? 1.337 26.259 16.478 1.0 12.56 ? 82 HIS A N 1 82 . A ATOM 699 C CA . HIS A 1 82 ? 2.472 26.958 15.867 1.0 11.99 ? 82 HIS A CA 1 82 . A ATOM 700 C C . HIS A 1 82 ? 2.100 27.993 14.839 1.0 12.39 ? 82 HIS A C 1 82 . A ATOM 701 O O . HIS A 1 82 ? 2.921 28.389 14.003 1.0 12.0 ? 82 HIS A O 1 82 . A ATOM 702 C CB . HIS A 1 82 ? 3.431 25.903 15.244 1.0 10.84 ? 82 HIS A CB 1 82 . A ATOM 703 C CG . HIS A 1 82 ? 2.766 24.943 14.305 1.0 9.71 ? 82 HIS A CG 1 82 . A ATOM 704 N ND1 . HIS A 1 82 ? 3.123 23.612 14.251 1.0 10.37 ? 82 HIS A ND1 1 82 . A ATOM 705 C CD2 . HIS A 1 82 ? 1.811 25.178 13.351 1.0 10.73 ? 82 HIS A CD2 1 82 . A ATOM 706 C CE1 . HIS A 1 82 ? 2.408 23.061 13.304 1.0 10.24 ? 82 HIS A CE1 1 82 . A ATOM 707 N NE2 . HIS A 1 82 ? 1.583 23.963 12.750 1.0 10.08 ? 82 HIS A NE2 1 82 . A ATOM 708 N N . GLU A 1 83 ? 0.890 28.515 14.895 1.0 13.43 ? 83 GLU A N 1 83 . A ATOM 709 C CA . GLU A 1 83 ? 0.448 29.457 13.878 1.0 15.38 ? 83 GLU A CA 1 83 . A ATOM 710 C C . GLU A 1 83 ? 1.343 30.666 13.735 1.0 15.71 ? 83 GLU A C 1 83 . A ATOM 711 O O . GLU A 1 83 ? 1.610 31.081 12.619 1.0 15.17 ? 83 GLU A O 1 83 . A ATOM 712 C CB . GLU A 1 83 ? -1.012 29.816 14.117 1.0 20.53 ? 83 GLU A CB 1 83 . A ATOM 713 C CG . GLU A 1 83 ? -1.834 28.863 14.940 1.0 27.85 ? 83 GLU A CG 1 83 . A ATOM 714 C CD . GLU A 1 83 ? -1.517 28.542 16.376 1.0 28.66 ? 83 GLU A CD 1 83 . A ATOM 715 O OE1 . GLU A 1 83 ? -0.708 29.249 17.024 1.0 41.07 ? 83 GLU A OE1 1 83 . A ATOM 716 O OE2 . GLU A 1 83 ? -2.108 27.625 16.936 1.0 39.7 ? 83 GLU A OE2 1 83 . A ATOM 717 N N . ALA A 1 84 ? 1.716 31.231 14.913 1.0 14.94 ? 84 ALA A N 1 84 . A ATOM 718 C CA . ALA A 1 84 ? 2.482 32.453 14.914 1.0 17.02 ? 84 ALA A CA 1 84 . A ATOM 719 C C . ALA A 1 84 ? 3.883 32.185 14.335 1.0 15.51 ? 84 ALA A C 1 84 . A ATOM 720 O O . ALA A 1 84 ? 4.432 33.038 13.682 1.0 19.43 ? 84 ALA A O 1 84 . A ATOM 721 C CB . ALA A 1 84 ? 2.685 33.055 16.278 1.0 17.29 ? 84 ALA A CB 1 84 . A ATOM 722 N N . GLU A 1 85 ? 4.447 31.034 14.609 1.0 13.9 ? 85 GLU A N 1 85 . A ATOM 723 C CA . GLU A 1 85 ? 5.765 30.762 14.068 1.0 12.02 ? 85 GLU A CA 1 85 . A ATOM 724 C C . GLU A 1 85 ? 5.715 30.529 12.581 1.0 11.09 ? 85 GLU A C 1 85 . A ATOM 725 O O . GLU A 1 85 ? 6.696 30.809 11.929 1.0 11.44 ? 85 GLU A O 1 85 . A ATOM 726 C CB . GLU A 1 85 ? 6.315 29.572 14.816 1.0 17.08 ? 85 GLU A CB 1 85 . A ATOM 727 C CG . GLU A 1 85 ? 6.583 29.594 16.293 1.0 17.38 ? 85 GLU A CG 1 85 . A ATOM 728 C CD . GLU A 1 85 ? 5.446 29.720 17.290 1.0 19.45 ? 85 GLU A CD 1 85 . A ATOM 729 O OE1 . GLU A 1 85 ? 4.291 29.370 17.031 1.0 20.08 ? 85 GLU A OE1 1 85 . A ATOM 730 O OE2 . GLU A 1 85 ? 5.652 30.183 18.458 1.0 25.36 ? 85 GLU A OE2 1 85 . A ATOM 731 N N . LEU A 1 86 ? 4.628 29.920 12.084 1.0 12.0 ? 86 LEU A N 1 86 . A ATOM 732 C CA . LEU A 1 86 ? 4.644 29.656 10.641 1.0 11.57 ? 86 LEU A CA 1 86 . A ATOM 733 C C . LEU A 1 86 ? 4.371 30.834 9.746 1.0 12.33 ? 86 LEU A C 1 86 . A ATOM 734 O O . LEU A 1 86 ? 4.797 30.719 8.631 1.0 16.19 ? 86 LEU A O 1 86 . A ATOM 735 C CB . LEU A 1 86 ? 3.633 28.541 10.270 1.0 11.51 ? 86 LEU A CB 1 86 . A ATOM 736 C CG . LEU A 1 86 ? 3.938 27.115 10.789 1.0 16.56 ? 86 LEU A CG 1 86 . A ATOM 737 C CD1 . LEU A 1 86 ? 2.989 26.062 10.237 1.0 18.02 ? 86 LEU A CD1 1 86 . A ATOM 738 C CD2 . LEU A 1 86 ? 5.380 26.700 10.697 1.0 21.06 ? 86 LEU A CD2 1 86 . A ATOM 739 N N . LYS A 1 87 ? 3.712 31.830 10.226 1.0 15.37 ? 87 LYS A N 1 87 . A ATOM 740 C CA . LYS A 1 87 ? 3.351 32.956 9.384 1.0 17.4 ? 87 LYS A CA 1 87 . A ATOM 741 C C . LYS A 1 87 ? 4.543 33.555 8.656 1.0 14.61 ? 87 LYS A C 1 87 . A ATOM 742 O O . LYS A 1 87 ? 4.537 33.631 7.445 1.0 16.12 ? 87 LYS A O 1 87 . A ATOM 743 C CB . LYS A 1 87 ? 2.657 34.064 10.193 1.0 19.83 ? 87 LYS A CB 1 87 . A ATOM 744 C CG . LYS A 1 87 ? 1.706 34.802 9.314 1.0 28.76 ? 87 LYS A CG 1 87 . A ATOM 745 C CD . LYS A 1 87 ? 0.812 35.557 10.318 1.0 34.43 ? 87 LYS A CD 1 87 . A ATOM 746 C CE . LYS A 1 87 ? 0.521 36.873 9.602 1.0 37.16 ? 87 LYS A CE 1 87 . A ATOM 747 N NZ . LYS A 1 87 ? -0.935 37.019 9.342 1.0 43.73 ? 87 LYS A NZ 1 87 . A ATOM 748 N N . PRO A 1 88 ? 5.565 33.955 9.435 1.0 16.39 ? 88 PRO A N 1 88 . A ATOM 749 C CA . PRO A 1 88 ? 6.673 34.597 8.717 1.0 15.76 ? 88 PRO A CA 1 88 . A ATOM 750 C C . PRO A 1 88 ? 7.414 33.635 7.832 1.0 10.91 ? 88 PRO A C 1 88 . A ATOM 751 O O . PRO A 1 88 ? 7.952 34.012 6.823 1.0 12.11 ? 88 PRO A O 1 88 . A ATOM 752 C CB . PRO A 1 88 ? 7.542 35.191 9.825 1.0 18.37 ? 88 PRO A CB 1 88 . A ATOM 753 C CG . PRO A 1 88 ? 7.221 34.398 11.034 1.0 18.6 ? 88 PRO A CG 1 88 . A ATOM 754 C CD . PRO A 1 88 ? 5.743 34.078 10.917 1.0 19.1 ? 88 PRO A CD 1 88 . A ATOM 755 N N . LEU A 1 89 ? 7.519 32.364 8.291 1.0 9.73 ? 89 LEU A N 1 89 . A ATOM 756 C CA . LEU A 1 89 ? 8.268 31.360 7.577 1.0 9.15 ? 89 LEU A CA 1 89 . A ATOM 757 C C . LEU A 1 89 ? 7.613 31.042 6.231 1.0 8.31 ? 89 LEU A C 1 89 . A ATOM 758 O O . LEU A 1 89 ? 8.236 30.954 5.184 1.0 8.71 ? 89 LEU A O 1 89 . A ATOM 759 C CB . LEU A 1 89 ? 8.378 30.124 8.463 1.0 10.2 ? 89 LEU A CB 1 89 . A ATOM 760 C CG . LEU A 1 89 ? 9.188 29.025 7.891 1.0 10.93 ? 89 LEU A CG 1 89 . A ATOM 761 C CD1 . LEU A 1 89 ? 10.664 29.406 7.924 1.0 14.7 ? 89 LEU A CD1 1 89 . A ATOM 762 C CD2 . LEU A 1 89 ? 8.988 27.734 8.684 1.0 16.44 ? 89 LEU A CD2 1 89 . A ATOM 763 N N . ALA A 1 90 ? 6.272 30.801 6.303 1.0 9.61 ? 90 ALA A N 1 90 . A ATOM 764 C CA . ALA A 1 90 ? 5.574 30.545 5.033 1.0 10.97 ? 90 ALA A CA 1 90 . A ATOM 765 C C . ALA A 1 90 ? 5.645 31.732 4.100 1.0 11.29 ? 90 ALA A C 1 90 . A ATOM 766 O O . ALA A 1 90 ? 5.820 31.596 2.900 1.0 12.4 ? 90 ALA A O 1 90 . A ATOM 767 C CB . ALA A 1 90 ? 4.102 30.197 5.337 1.0 13.56 ? 90 ALA A CB 1 90 . A ATOM 768 N N . GLN A 1 91 ? 5.511 32.940 4.675 1.0 11.82 ? 91 GLN A N 1 91 . A ATOM 769 C CA . GLN A 1 91 ? 5.560 34.119 3.825 1.0 12.94 ? 91 GLN A CA 1 91 . A ATOM 770 C C . GLN A 1 91 ? 6.900 34.224 3.139 1.0 11.68 ? 91 GLN A C 1 91 . A ATOM 771 O O . GLN A 1 91 ? 6.956 34.490 1.943 1.0 13.0 ? 91 GLN A O 1 91 . A ATOM 772 C CB A GLN A 1 91 ? 5.216 35.309 4.718 0.53 15.6 ? 91 GLN A CB 1 91 . A ATOM 773 C CB B GLN A 1 91 ? 5.366 35.414 4.606 0.47 13.92 ? 91 GLN A CB 1 91 . A ATOM 774 C CG A GLN A 1 91 ? 3.800 35.199 5.305 0.53 19.06 ? 91 GLN A CG 1 91 . A ATOM 775 C CG B GLN A 1 91 ? 3.930 35.717 4.917 0.47 17.09 ? 91 GLN A CG 1 91 . A ATOM 776 C CD A GLN A 1 91 ? 3.483 36.376 6.218 0.53 22.28 ? 91 GLN A CD 1 91 . A ATOM 777 C CD B GLN A 1 91 ? 3.178 36.489 3.853 0.47 21.89 ? 91 GLN A CD 1 91 . A ATOM 778 O OE1 A GLN A 1 91 ? 4.369 36.918 6.875 0.53 34.42 ? 91 GLN A OE1 1 91 . A ATOM 779 O OE1 B GLN A 1 91 ? 2.009 36.747 4.091 0.47 35.73 ? 91 GLN A OE1 1 91 . A ATOM 780 N NE2 A GLN A 1 91 ? 2.230 36.786 6.280 0.53 27.89 ? 91 GLN A NE2 1 91 . A ATOM 781 N NE2 B GLN A 1 91 ? 3.860 36.858 2.777 0.47 26.87 ? 91 GLN A NE2 1 91 . A ATOM 782 N N . SER A 1 92 ? 8.010 34.073 3.863 1.0 10.98 ? 92 SER A N 1 92 . A ATOM 783 C CA . SER A 1 92 ? 9.306 34.227 3.218 1.0 11.66 ? 92 SER A CA 1 92 . A ATOM 784 C C . SER A 1 92 ? 9.565 33.150 2.210 1.0 10.48 ? 92 SER A C 1 92 . A ATOM 785 O O . SER A 1 92 ? 10.112 33.370 1.144 1.0 11.76 ? 92 SER A O 1 92 . A ATOM 786 C CB . SER A 1 92 ? 10.418 34.340 4.235 1.0 11.12 ? 92 SER A CB 1 92 . A ATOM 787 O OG . SER A 1 92 ? 10.618 33.093 4.848 1.0 10.81 ? 92 SER A OG 1 92 . A ATOM 788 N N . HIS A 1 93 ? 9.194 31.891 2.617 1.0 9.58 ? 93 HIS A N 1 93 . A ATOM 789 C CA . HIS A 1 93 ? 9.514 30.786 1.728 1.0 9.0 ? 93 HIS A CA 1 93 . A ATOM 790 C C . HIS A 1 93 ? 8.666 30.768 0.454 1.0 9.24 ? 93 HIS A C 1 93 . A ATOM 791 O O . HIS A 1 93 ? 9.164 30.388 -0.610 1.0 10.49 ? 93 HIS A O 1 93 . A ATOM 792 C CB . HIS A 1 93 ? 9.503 29.450 2.528 1.0 8.06 ? 93 HIS A CB 1 93 . A ATOM 793 C CG . HIS A 1 93 ? 10.705 29.330 3.406 1.0 7.74 ? 93 HIS A CG 1 93 . A ATOM 794 N ND1 . HIS A 1 93 ? 10.972 30.184 4.450 1.0 9.02 ? 93 HIS A ND1 1 93 . A ATOM 795 C CD2 . HIS A 1 93 ? 11.799 28.490 3.348 1.0 7.27 ? 93 HIS A CD2 1 93 . A ATOM 796 C CE1 . HIS A 1 93 ? 12.167 29.837 4.966 1.0 9.14 ? 93 HIS A CE1 1 93 . A ATOM 797 N NE2 . HIS A 1 93 ? 12.684 28.843 4.360 1.0 7.35 ? 93 HIS A NE2 1 93 . A ATOM 798 N N . ALA A 1 94 ? 7.414 31.222 0.569 1.0 9.39 ? 94 ALA A N 1 94 . A ATOM 799 C CA . ALA A 1 94 ? 6.586 31.332 -0.638 1.0 10.38 ? 94 ALA A CA 1 94 . A ATOM 800 C C . ALA A 1 94 ? 7.018 32.502 -1.492 1.0 11.58 ? 94 ALA A C 1 94 . A ATOM 801 O O . ALA A 1 94 ? 7.172 32.364 -2.717 1.0 15.42 ? 94 ALA A O 1 94 . A ATOM 802 C CB . ALA A 1 94 ? 5.119 31.534 -0.233 1.0 12.11 ? 94 ALA A CB 1 94 . A ATOM 803 N N . THR A 1 95 ? 7.137 33.684 -0.891 1.0 12.38 ? 95 THR A N 1 95 . A ATOM 804 C CA . THR A 1 95 ? 7.192 34.892 -1.699 1.0 14.87 ? 95 THR A CA 1 95 . A ATOM 805 C C . THR A 1 95 ? 8.563 35.404 -1.972 1.0 17.76 ? 95 THR A C 1 95 . A ATOM 806 O O . THR A 1 95 ? 8.745 36.104 -2.974 1.0 21.92 ? 95 THR A O 1 95 . A ATOM 807 C CB . THR A 1 95 ? 6.365 36.047 -1.103 1.0 16.61 ? 95 THR A CB 1 95 . A ATOM 808 O OG1 . THR A 1 95 ? 7.026 36.621 0.025 1.0 18.9 ? 95 THR A OG1 1 95 . A ATOM 809 C CG2 . THR A 1 95 ? 5.005 35.602 -0.704 1.0 16.53 ? 95 THR A CG2 1 95 . A ATOM 810 N N . LYS A 1 96 ? 9.545 35.154 -1.130 1.0 15.75 ? 96 LYS A N 1 96 . A ATOM 811 C CA . LYS A 1 96 ? 10.872 35.642 -1.314 1.0 15.51 ? 96 LYS A CA 1 96 . A ATOM 812 C C . LYS A 1 96 ? 11.823 34.539 -1.767 1.0 14.52 ? 96 LYS A C 1 96 . A ATOM 813 O O . LYS A 1 96 ? 12.535 34.681 -2.743 1.0 20.0 ? 96 LYS A O 1 96 . A ATOM 814 C CB A LYS A 1 96 ? 11.436 36.202 0.005 0.55 17.31 ? 96 LYS A CB 1 96 . A ATOM 815 C CB B LYS A 1 96 ? 11.433 36.372 -0.085 0.45 18.97 ? 96 LYS A CB 1 96 . A ATOM 816 C CG A LYS A 1 96 ? 12.679 37.050 -0.198 0.55 22.89 ? 96 LYS A CG 1 96 . A ATOM 817 C CG B LYS A 1 96 ? 12.911 36.591 0.111 0.45 22.49 ? 96 LYS A CG 1 96 . A ATOM 818 C CD A LYS A 1 96 ? 13.603 36.966 0.994 0.55 25.64 ? 96 LYS A CD 1 96 . A ATOM 819 C CD B LYS A 1 96 ? 13.474 37.948 -0.222 0.45 24.65 ? 96 LYS A CD 1 96 . A ATOM 820 C CE A LYS A 1 96 ? 12.970 37.433 2.292 0.55 25.33 ? 96 LYS A CE 1 96 . A ATOM 821 C CE B LYS A 1 96 ? 13.542 38.960 0.898 0.45 28.92 ? 96 LYS A CE 1 96 . A ATOM 822 N NZ A LYS A 1 96 ? 13.768 38.577 2.830 0.55 27.83 ? 96 LYS A NZ 1 96 . A ATOM 823 N NZ B LYS A 1 96 ? 14.734 39.843 0.940 0.45 26.84 ? 96 LYS A NZ 1 96 . A ATOM 824 N N . HIS A 1 97 ? 11.847 33.420 -1.046 1.0 11.59 ? 97 HIS A N 1 97 . A ATOM 825 C CA . HIS A 1 97 ? 12.824 32.363 -1.384 1.0 11.51 ? 97 HIS A CA 1 97 . A ATOM 826 C C . HIS A 1 97 ? 12.300 31.421 -2.469 1.0 12.32 ? 97 HIS A C 1 97 . A ATOM 827 O O . HIS A 1 97 ? 13.104 30.740 -3.117 1.0 14.67 ? 97 HIS A O 1 97 . A ATOM 828 C CB . HIS A 1 97 ? 13.144 31.534 -0.135 1.0 11.26 ? 97 HIS A CB 1 97 . A ATOM 829 C CG . HIS A 1 97 ? 13.509 32.374 1.046 1.0 10.63 ? 97 HIS A CG 1 97 . A ATOM 830 N ND1 . HIS A 1 97 ? 14.351 33.443 0.982 1.0 11.88 ? 97 HIS A ND1 1 97 . A ATOM 831 C CD2 . HIS A 1 97 ? 13.161 32.248 2.351 1.0 10.32 ? 97 HIS A CD2 1 97 . A ATOM 832 C CE1 . HIS A 1 97 ? 14.496 33.938 2.178 1.0 11.88 ? 97 HIS A CE1 1 97 . A ATOM 833 N NE2 . HIS A 1 97 ? 13.756 33.230 3.072 1.0 10.93 ? 97 HIS A NE2 1 97 . A ATOM 834 N N . LYS A 1 98 ? 10.983 31.377 -2.712 1.0 14.49 ? 98 LYS A N 1 98 . A ATOM 835 C CA . LYS A 1 98 ? 10.342 30.603 -3.756 1.0 17.76 ? 98 LYS A CA 1 98 . A ATOM 836 C C . LYS A 1 98 ? 10.650 29.106 -3.669 1.0 15.0 ? 98 LYS A C 1 98 . A ATOM 837 O O . LYS A 1 98 ? 11.156 28.413 -4.556 1.0 15.29 ? 98 LYS A O 1 98 . A ATOM 838 C CB . LYS A 1 98 ? 10.706 31.134 -5.148 1.0 24.55 ? 98 LYS A CB 1 98 . A ATOM 839 C CG . LYS A 1 98 ? 10.371 32.603 -5.277 1.0 28.57 ? 98 LYS A CG 1 98 . A ATOM 840 C CD . LYS A 1 98 ? 9.859 33.177 -6.560 1.0 31.9 ? 98 LYS A CD 1 98 . A ATOM 841 C CE . LYS A 1 98 ? 9.302 34.585 -6.322 1.0 34.29 ? 98 LYS A CE 1 98 . A ATOM 842 N NZ . LYS A 1 98 ? 9.849 35.086 -5.019 1.0 41.54 ? 98 LYS A NZ 1 98 . A ATOM 843 N N . ILE A 1 99 ? 10.233 28.606 -2.495 1.0 13.96 ? 99 ILE A N 1 99 . A ATOM 844 C CA . ILE A 1 99 ? 10.462 27.191 -2.191 1.0 12.88 ? 99 ILE A CA 1 99 . A ATOM 845 C C . ILE A 1 99 ? 9.172 26.389 -2.365 1.0 14.07 ? 99 ILE A C 1 99 . A ATOM 846 O O . ILE A 1 99 ? 8.253 26.511 -1.565 1.0 18.45 ? 99 ILE A O 1 99 . A ATOM 847 C CB . ILE A 1 99 ? 11.003 27.062 -0.755 1.0 10.88 ? 99 ILE A CB 1 99 . A ATOM 848 C CG1 . ILE A 1 99 ? 12.226 27.953 -0.547 1.0 10.15 ? 99 ILE A CG1 1 99 . A ATOM 849 C CG2 . ILE A 1 99 ? 11.274 25.603 -0.423 1.0 11.28 ? 99 ILE A CG2 1 99 . A ATOM 850 C CD1 . ILE A 1 99 ? 13.318 27.764 -1.572 1.0 11.01 ? 99 ILE A CD1 1 99 . A ATOM 851 N N . PRO A 1 100 ? 9.086 25.479 -3.316 1.0 13.59 ? 100 PRO A N 1 100 . A ATOM 852 C CA . PRO A 1 100 ? 7.889 24.626 -3.368 1.0 13.21 ? 100 PRO A CA 1 100 . A ATOM 853 C C . PRO A 1 100 ? 7.670 23.729 -2.154 1.0 13.26 ? 100 PRO A C 1 100 . A ATOM 854 O O . PRO A 1 100 ? 8.615 23.303 -1.547 1.0 12.54 ? 100 PRO A O 1 100 . A ATOM 855 C CB . PRO A 1 100 ? 8.159 23.773 -4.653 1.0 16.77 ? 100 PRO A CB 1 100 . A ATOM 856 C CG . PRO A 1 100 ? 9.176 24.503 -5.444 1.0 16.34 ? 100 PRO A CG 1 100 . A ATOM 857 C CD . PRO A 1 100 ? 10.021 25.231 -4.419 1.0 14.11 ? 100 PRO A CD 1 100 . A ATOM 858 N N . ILE A 1 101 ? 6.376 23.461 -1.905 1.0 14.16 ? 101 ILE A N 1 101 . A ATOM 859 C CA . ILE A 1 101 ? 6.116 22.468 -0.829 1.0 14.82 ? 101 ILE A CA 1 101 . A ATOM 860 C C . ILE A 1 101 ? 6.871 21.173 -0.934 1.0 11.32 ? 101 ILE A C 1 101 . A ATOM 861 O O . ILE A 1 101 ? 7.299 20.541 0.032 1.0 11.72 ? 101 ILE A O 1 101 . A ATOM 862 C CB . ILE A 1 101 ? 4.595 22.260 -0.696 1.0 16.18 ? 101 ILE A CB 1 101 . A ATOM 863 C CG1 . ILE A 1 101 ? 3.876 23.532 -0.324 1.0 16.91 ? 101 ILE A CG1 1 101 . A ATOM 864 C CG2 . ILE A 1 101 ? 4.298 21.214 0.370 1.0 17.93 ? 101 ILE A CG2 1 101 . A ATOM 865 C CD1 . ILE A 1 101 ? 4.250 24.105 1.005 1.0 16.89 ? 101 ILE A CD1 1 101 . A ATOM 866 N N . LYS A 1 102 ? 7.039 20.688 -2.218 1.0 11.48 ? 102 LYS A N 1 102 . A ATOM 867 C CA . LYS A 1 102 ? 7.758 19.461 -2.429 1.0 11.04 ? 102 LYS A CA 1 102 . A ATOM 868 C C . LYS A 1 102 ? 9.160 19.507 -1.821 1.0 8.73 ? 102 LYS A C 1 102 . A ATOM 869 O O . LYS A 1 102 ? 9.689 18.517 -1.331 1.0 9.45 ? 102 LYS A O 1 102 . A ATOM 870 C CB . LYS A 1 102 ? 7.873 19.189 -3.941 1.0 13.5 ? 102 LYS A CB 1 102 . A ATOM 871 C CG . LYS A 1 102 ? 8.414 17.828 -4.285 1.0 14.05 ? 102 LYS A CG 1 102 . A ATOM 872 C CD . LYS A 1 102 ? 7.352 16.807 -3.901 1.0 18.29 ? 102 LYS A CD 1 102 . A ATOM 873 C CE . LYS A 1 102 ? 7.778 15.404 -4.310 1.0 22.86 ? 102 LYS A CE 1 102 . A ATOM 874 N NZ . LYS A 1 102 ? 6.766 14.434 -3.882 1.0 19.79 ? 102 LYS A NZ 1 102 . A ATOM 875 N N . TYR A 1 103 ? 9.793 20.738 -1.886 1.0 8.96 ? 103 TYR A N 1 103 . A ATOM 876 C CA . TYR A 1 103 ? 11.138 20.809 -1.329 1.0 8.59 ? 103 TYR A CA 1 103 . A ATOM 877 C C . TYR A 1 103 ? 11.091 20.693 0.207 1.0 7.28 ? 103 TYR A C 1 103 . A ATOM 878 O O . TYR A 1 103 ? 12.059 20.225 0.806 1.0 7.83 ? 103 TYR A O 1 103 . A ATOM 879 C CB . TYR A 1 103 ? 11.818 22.114 -1.744 1.0 8.37 ? 103 TYR A CB 1 103 . A ATOM 880 C CG . TYR A 1 103 ? 12.199 22.286 -3.195 1.0 9.25 ? 103 TYR A CG 1 103 . A ATOM 881 C CD1 . TYR A 1 103 ? 11.623 21.606 -4.246 1.0 12.31 ? 103 TYR A CD1 1 103 . A ATOM 882 C CD2 . TYR A 1 103 ? 13.088 23.274 -3.544 1.0 10.94 ? 103 TYR A CD2 1 103 . A ATOM 883 C CE1 . TYR A 1 103 ? 12.003 21.847 -5.575 1.0 14.28 ? 103 TYR A CE1 1 103 . A ATOM 884 C CE2 . TYR A 1 103 ? 13.519 23.546 -4.819 1.0 13.09 ? 103 TYR A CE2 1 103 . A ATOM 885 C CZ . TYR A 1 103 ? 12.937 22.821 -5.808 1.0 14.21 ? 103 TYR A CZ 1 103 . A ATOM 886 O OH . TYR A 1 103 ? 13.299 23.091 -7.141 1.0 19.24 ? 103 TYR A OH 1 103 . A ATOM 887 N N . LEU A 1 104 ? 9.986 21.107 0.827 1.0 7.19 ? 104 LEU A N 1 104 . A ATOM 888 C CA . LEU A 1 104 ? 9.785 20.849 2.244 1.0 7.25 ? 104 LEU A CA 1 104 . A ATOM 889 C C . LEU A 1 104 ? 9.634 19.353 2.512 1.0 6.99 ? 104 LEU A C 1 104 . A ATOM 890 O O . LEU A 1 104 ? 10.088 18.878 3.569 1.0 7.8 ? 104 LEU A O 1 104 . A ATOM 891 C CB . LEU A 1 104 ? 8.616 21.652 2.785 1.0 8.09 ? 104 LEU A CB 1 104 . A ATOM 892 C CG . LEU A 1 104 ? 8.712 23.172 2.584 1.0 9.36 ? 104 LEU A CG 1 104 . A ATOM 893 C CD1 . LEU A 1 104 ? 7.489 23.843 3.220 1.0 12.92 ? 104 LEU A CD1 1 104 . A ATOM 894 C CD2 . LEU A 1 104 ? 9.963 23.768 3.165 1.0 11.74 ? 104 LEU A CD2 1 104 . A ATOM 895 N N . GLU A 1 105 ? 9.028 18.589 1.620 1.0 7.05 ? 105 GLU A N 1 105 . A ATOM 896 C CA . GLU A 1 105 ? 9.008 17.144 1.745 1.0 7.5 ? 105 GLU A CA 1 105 . A ATOM 897 C C . GLU A 1 105 ? 10.428 16.577 1.711 1.0 6.6 ? 105 GLU A C 1 105 . A ATOM 898 O O . GLU A 1 105 ? 10.803 15.713 2.510 1.0 7.08 ? 105 GLU A O 1 105 . A ATOM 899 C CB . GLU A 1 105 ? 8.092 16.541 0.685 1.0 8.75 ? 105 GLU A CB 1 105 . A ATOM 900 C CG . GLU A 1 105 ? 7.960 15.059 0.819 1.0 10.72 ? 105 GLU A CG 1 105 . A ATOM 901 C CD . GLU A 1 105 ? 7.162 14.407 -0.274 1.0 12.61 ? 105 GLU A CD 1 105 . A ATOM 902 O OE1 . GLU A 1 105 ? 6.688 15.099 -1.197 1.0 13.61 ? 105 GLU A OE1 1 105 . A ATOM 903 O OE2 . GLU A 1 105 ? 6.998 13.175 -0.237 1.0 22.97 ? 105 GLU A OE2 1 105 . A ATOM 904 N N . PHE A 1 106 ? 11.247 17.103 0.777 1.0 6.6 ? 106 PHE A N 1 106 . A ATOM 905 C CA . PHE A 1 106 ? 12.613 16.629 0.659 1.0 6.46 ? 106 PHE A CA 1 106 . A ATOM 906 C C . PHE A 1 106 ? 13.406 16.914 1.972 1.0 6.24 ? 106 PHE A C 1 106 . A ATOM 907 O O . PHE A 1 106 ? 14.148 16.036 2.437 1.0 6.41 ? 106 PHE A O 1 106 . A ATOM 908 C CB . PHE A 1 106 ? 13.342 17.303 -0.494 1.0 6.82 ? 106 PHE A CB 1 106 . A ATOM 909 C CG . PHE A 1 106 ? 12.757 17.028 -1.859 1.0 7.91 ? 106 PHE A CG 1 106 . A ATOM 910 C CD1 . PHE A 1 106 ? 12.037 15.895 -2.154 1.0 9.95 ? 106 PHE A CD1 1 106 . A ATOM 911 C CD2 . PHE A 1 106 ? 12.975 17.974 -2.860 1.0 9.2 ? 106 PHE A CD2 1 106 . A ATOM 912 C CE1 . PHE A 1 106 ? 11.525 15.717 -3.444 1.0 11.94 ? 106 PHE A CE1 1 106 . A ATOM 913 C CE2 . PHE A 1 106 ? 12.505 17.796 -4.145 1.0 12.46 ? 106 PHE A CE2 1 106 . A ATOM 914 C CZ . PHE A 1 106 ? 11.777 16.656 -4.411 1.0 12.72 ? 106 PHE A CZ 1 106 . A ATOM 915 N N . ILE A 1 107 ? 13.288 18.108 2.534 1.0 5.88 ? 107 ILE A N 1 107 . A ATOM 916 C CA . ILE A 1 107 ? 14.057 18.362 3.765 1.0 5.8 ? 107 ILE A CA 1 107 . A ATOM 917 C C . ILE A 1 107 ? 13.546 17.500 4.901 1.0 6.04 ? 107 ILE A C 1 107 . A ATOM 918 O O . ILE A 1 107 ? 14.297 17.081 5.783 1.0 6.31 ? 107 ILE A O 1 107 . A ATOM 919 C CB . ILE A 1 107 ? 14.172 19.849 4.117 1.0 6.03 ? 107 ILE A CB 1 107 . A ATOM 920 C CG1 . ILE A 1 107 ? 15.367 20.087 5.025 1.0 6.64 ? 107 ILE A CG1 1 107 . A ATOM 921 C CG2 . ILE A 1 107 ? 12.881 20.418 4.703 1.0 6.78 ? 107 ILE A CG2 1 107 . A ATOM 922 C CD1 . ILE A 1 107 ? 15.633 21.546 5.299 1.0 7.66 ? 107 ILE A CD1 1 107 . A ATOM 923 N N . SER A 1 108 ? 12.218 17.236 4.918 1.0 6.15 ? 108 SER A N 1 108 . A ATOM 924 C CA . SER A 1 108 ? 11.687 16.345 5.936 1.0 6.93 ? 108 SER A CA 1 108 . A ATOM 925 C C . SER A 1 108 ? 12.302 14.944 5.854 1.0 6.44 ? 108 SER A C 1 108 . A ATOM 926 O O . SER A 1 108 ? 12.627 14.346 6.861 1.0 7.49 ? 108 SER A O 1 108 . A ATOM 927 C CB . SER A 1 108 ? 10.152 16.316 5.802 1.0 7.74 ? 108 SER A CB 1 108 . A ATOM 928 O OG . SER A 1 108 ? 9.539 17.536 6.025 1.0 9.76 ? 108 SER A OG 1 108 . A ATOM 929 N N . GLU A 1 109 ? 12.454 14.437 4.630 1.0 6.78 ? 109 GLU A N 1 109 . A ATOM 930 C CA . GLU A 1 109 ? 13.115 13.145 4.470 1.0 7.75 ? 109 GLU A CA 1 109 . A ATOM 931 C C . GLU A 1 109 ? 14.551 13.183 4.960 1.0 6.83 ? 109 GLU A C 1 109 . A ATOM 932 O O . GLU A 1 109 ? 14.994 12.244 5.620 1.0 7.49 ? 109 GLU A O 1 109 . A ATOM 933 C CB A GLU A 1 109 ? 13.113 12.696 2.993 0.66 10.01 ? 109 GLU A CB 1 109 . A ATOM 934 C CB B GLU A 1 109 ? 13.025 12.761 2.982 0.34 7.65 ? 109 GLU A CB 1 109 . A ATOM 935 C CG A GLU A 1 109 ? 13.723 11.377 2.647 0.66 18.52 ? 109 GLU A CG 1 109 . A ATOM 936 C CG B GLU A 1 109 ? 11.642 12.463 2.537 0.34 9.78 ? 109 GLU A CG 1 109 . A ATOM 937 C CD A GLU A 1 109 ? 15.211 11.139 2.700 0.66 19.16 ? 109 GLU A CD 1 109 . A ATOM 938 C CD B GLU A 1 109 ? 11.303 12.388 1.057 0.34 19.4 ? 109 GLU A CD 1 109 . A ATOM 939 O OE1 A GLU A 1 109 ? 16.077 12.051 2.524 0.66 19.66 ? 109 GLU A OE1 1 109 . A ATOM 940 O OE1 B GLU A 1 109 ? 12.118 12.876 0.228 0.34 17.1 ? 109 GLU A OE1 1 109 . A ATOM 941 O OE2 A GLU A 1 109 ? 15.527 9.914 2.908 0.66 23.55 ? 109 GLU A OE2 1 109 . A ATOM 942 O OE2 B GLU A 1 109 ? 10.205 11.869 0.782 0.34 32.65 ? 109 GLU A OE2 1 109 . A ATOM 943 N N . ALA A 1 110 ? 15.256 14.273 4.696 1.0 6.61 ? 110 ALA A N 1 110 . A ATOM 944 C CA . ALA A 1 110 ? 16.627 14.390 5.174 1.0 7.01 ? 110 ALA A CA 1 110 . A ATOM 945 C C . ALA A 1 110 ? 16.707 14.462 6.688 1.0 6.26 ? 110 ALA A C 1 110 . A ATOM 946 O O . ALA A 1 110 ? 17.589 13.831 7.296 1.0 7.31 ? 110 ALA A O 1 110 . A ATOM 947 C CB . ALA A 1 110 ? 17.281 15.641 4.558 1.0 7.35 ? 110 ALA A CB 1 110 . A ATOM 948 N N . ILE A 1 111 ? 15.784 15.190 7.321 1.0 6.31 ? 111 ILE A N 1 111 . A ATOM 949 C CA . ILE A 1 111 ? 15.709 15.246 8.776 1.0 6.47 ? 111 ILE A CA 1 111 . A ATOM 950 C C . ILE A 1 111 ? 15.526 13.860 9.339 1.0 6.74 ? 111 ILE A C 1 111 . A ATOM 951 O O . ILE A 1 111 ? 16.225 13.441 10.271 1.0 7.27 ? 111 ILE A O 1 111 . A ATOM 952 C CB . ILE A 1 111 ? 14.582 16.191 9.242 1.0 6.61 ? 111 ILE A CB 1 111 . A ATOM 953 C CG1 . ILE A 1 111 ? 14.939 17.647 8.877 1.0 6.39 ? 111 ILE A CG1 1 111 . A ATOM 954 C CG2 . ILE A 1 111 ? 14.279 16.055 10.706 1.0 7.5 ? 111 ILE A CG2 1 111 . A ATOM 955 C CD1 . ILE A 1 111 ? 13.715 18.571 8.814 1.0 7.33 ? 111 ILE A CD1 1 111 . A ATOM 956 N N . ILE A 1 112 ? 14.543 13.116 8.833 1.0 6.92 ? 112 ILE A N 1 112 . A ATOM 957 C CA . ILE A 1 112 ? 14.260 11.788 9.333 1.0 7.86 ? 112 ILE A CA 1 112 . A ATOM 958 C C . ILE A 1 112 ? 15.462 10.875 9.171 1.0 7.51 ? 112 ILE A C 1 112 . A ATOM 959 O O . ILE A 1 112 ? 15.814 10.104 10.078 1.0 8.59 ? 112 ILE A O 1 112 . A ATOM 960 C CB . ILE A 1 112 ? 12.970 11.239 8.675 1.0 9.2 ? 112 ILE A CB 1 112 . A ATOM 961 C CG1 . ILE A 1 112 ? 11.773 12.068 9.140 1.0 11.71 ? 112 ILE A CG1 1 112 . A ATOM 962 C CG2 . ILE A 1 112 ? 12.780 9.767 8.898 1.0 12.81 ? 112 ILE A CG2 1 112 . A ATOM 963 C CD1 . ILE A 1 112 ? 10.479 11.880 8.382 1.0 13.59 ? 112 ILE A CD1 1 112 . A ATOM 964 N N . HIS A 1 113 ? 16.116 10.945 8.009 1.0 7.82 ? 113 HIS A N 1 113 . A ATOM 965 C CA . HIS A 1 113 ? 17.275 10.093 7.795 1.0 8.77 ? 113 HIS A CA 1 113 . A ATOM 966 C C . HIS A 1 113 ? 18.396 10.366 8.801 1.0 8.0 ? 113 HIS A C 1 113 . A ATOM 967 O O . HIS A 1 113 ? 18.974 9.440 9.358 1.0 8.9 ? 113 HIS A O 1 113 . A ATOM 968 C CB . HIS A 1 113 ? 17.761 10.347 6.354 1.0 10.47 ? 113 HIS A CB 1 113 . A ATOM 969 C CG . HIS A 1 113 ? 18.896 9.424 6.014 1.0 15.16 ? 113 HIS A CG 1 113 . A ATOM 970 N ND1 . HIS A 1 113 ? 20.202 9.526 6.350 1.0 22.26 ? 113 HIS A ND1 1 113 . A ATOM 971 C CD2 . HIS A 1 113 ? 18.732 8.265 5.318 1.0 19.52 ? 113 HIS A CD2 1 113 . A ATOM 972 C CE1 . HIS A 1 113 ? 20.857 8.475 5.856 1.0 23.79 ? 113 HIS A CE1 1 113 . A ATOM 973 N NE2 . HIS A 1 113 ? 19.977 7.673 5.219 1.0 24.56 ? 113 HIS A NE2 1 113 . A ATOM 974 N N . VAL A 1 114 ? 18.704 11.653 9.008 1.0 7.39 ? 114 VAL A N 1 114 . A ATOM 975 C CA . VAL A 1 114 ? 19.775 12.019 9.928 1.0 7.54 ? 114 VAL A CA 1 114 . A ATOM 976 C C . VAL A 1 114 ? 19.443 11.670 11.357 1.0 7.05 ? 114 VAL A C 1 114 . A ATOM 977 O O . VAL A 1 114 ? 20.278 11.166 12.103 1.0 7.74 ? 114 VAL A O 1 114 . A ATOM 978 C CB . VAL A 1 114 ? 20.136 13.506 9.730 1.0 7.19 ? 114 VAL A CB 1 114 . A ATOM 979 C CG1 . VAL A 1 114 ? 21.031 13.998 10.840 1.0 8.55 ? 114 VAL A CG1 1 114 . A ATOM 980 C CG2 . VAL A 1 114 ? 20.771 13.714 8.363 1.0 8.25 ? 114 VAL A CG2 1 114 . A ATOM 981 N N . LEU A 1 115 ? 18.172 11.858 11.756 1.0 7.08 ? 115 LEU A N 1 115 . A ATOM 982 C CA . LEU A 1 115 ? 17.789 11.469 13.102 1.0 7.22 ? 115 LEU A CA 1 115 . A ATOM 983 C C . LEU A 1 115 ? 17.961 9.969 13.307 1.0 7.38 ? 115 LEU A C 1 115 . A ATOM 984 O O . LEU A 1 115 ? 18.362 9.496 14.362 1.0 8.14 ? 115 LEU A O 1 115 . A ATOM 985 C CB A LEU A 1 115 ? 16.437 12.026 13.484 0.48 6.83 ? 115 LEU A CB 1 115 . A ATOM 986 C CB B LEU A 1 115 ? 16.314 11.801 13.385 0.52 7.23 ? 115 LEU A CB 1 115 . A ATOM 987 C CG A LEU A 1 115 ? 16.424 13.419 14.104 0.48 5.89 ? 115 LEU A CG 1 115 . A ATOM 988 C CG B LEU A 1 115 ? 16.008 13.298 13.514 0.52 7.4 ? 115 LEU A CG 1 115 . A ATOM 989 C CD1 A LEU A 1 115 ? 17.155 14.434 13.259 0.48 7.04 ? 115 LEU A CD1 1 115 . A ATOM 990 C CD1 B LEU A 1 115 ? 14.486 13.548 13.619 0.52 10.92 ? 115 LEU A CD1 1 115 . A ATOM 991 C CD2 A LEU A 1 115 ? 14.969 13.794 14.327 0.48 8.08 ? 115 LEU A CD2 1 115 . A ATOM 992 C CD2 B LEU A 1 115 ? 16.728 13.905 14.701 0.52 11.15 ? 115 LEU A CD2 1 115 . A ATOM 993 N N . HIS A 1 116 ? 17.637 9.175 12.283 1.0 7.85 ? 116 HIS A N 1 116 . A ATOM 994 C CA . HIS A 1 116 ? 17.791 7.733 12.402 1.0 8.47 ? 116 HIS A CA 1 116 . A ATOM 995 C C . HIS A 1 116 ? 19.243 7.345 12.560 1.0 8.48 ? 116 HIS A C 1 116 . A ATOM 996 O O . HIS A 1 116 ? 19.602 6.463 13.313 1.0 9.96 ? 116 HIS A O 1 116 . A ATOM 997 C CB A HIS A 1 116 ? 17.176 7.162 11.108 0.54 11.95 ? 116 HIS A CB 1 116 . A ATOM 998 C CB B HIS A 1 116 ? 17.067 6.998 11.278 0.46 8.6 ? 116 HIS A CB 1 116 . A ATOM 999 C CG A HIS A 1 116 ? 17.268 5.669 11.121 0.54 13.56 ? 116 HIS A CG 1 116 . A ATOM 1000 C CG B HIS A 1 116 ? 16.718 5.596 11.649 0.46 12.68 ? 116 HIS A CG 1 116 . A ATOM 1001 N ND1 A HIS A 1 116 ? 18.274 5.006 10.457 0.54 16.88 ? 116 HIS A ND1 1 116 . A ATOM 1002 N ND1 B HIS A 1 116 ? 15.996 4.871 10.751 0.46 15.9 ? 116 HIS A ND1 1 116 . A ATOM 1003 C CD2 A HIS A 1 116 ? 16.503 4.742 11.718 0.54 13.58 ? 116 HIS A CD2 1 116 . A ATOM 1004 C CD2 B HIS A 1 116 ? 16.897 4.818 12.754 0.46 16.37 ? 116 HIS A CD2 1 116 . A ATOM 1005 C CE1 A HIS A 1 116 ? 18.113 3.701 10.644 0.54 16.37 ? 116 HIS A CE1 1 116 . A ATOM 1006 C CE1 B HIS A 1 116 ? 15.764 3.697 11.282 0.46 14.37 ? 116 HIS A CE1 1 116 . A ATOM 1007 N NE2 A HIS A 1 116 ? 17.032 3.507 11.418 0.54 15.48 ? 116 HIS A NE2 1 116 . A ATOM 1008 N NE2 B HIS A 1 116 ? 16.324 3.615 12.521 0.46 13.97 ? 116 HIS A NE2 1 116 . A ATOM 1009 N N . SER A 1 117 ? 20.119 7.991 11.763 1.0 8.89 ? 117 SER A N 1 117 . A ATOM 1010 C CA . SER A 1 117 ? 21.547 7.695 11.850 1.0 10.16 ? 117 SER A CA 1 117 . A ATOM 1011 C C . SER A 1 117 ? 22.143 8.095 13.193 1.0 9.41 ? 117 SER A C 1 117 . A ATOM 1012 O O . SER A 1 117 ? 22.982 7.339 13.746 1.0 11.93 ? 117 SER A O 1 117 . A ATOM 1013 C CB A SER A 1 117 ? 22.253 8.501 10.751 0.56 11.88 ? 117 SER A CB 1 117 . A ATOM 1014 C CB B SER A 1 117 ? 22.301 8.441 10.752 0.44 13.43 ? 117 SER A CB 1 117 . A ATOM 1015 O OG A SER A 1 117 ? 21.936 8.176 9.423 0.56 12.44 ? 117 SER A OG 1 117 . A ATOM 1016 O OG B SER A 1 117 ? 23.692 8.204 10.839 0.44 16.76 ? 117 SER A OG 1 117 . A ATOM 1017 N N . ARG A 1 118 ? 21.751 9.250 13.707 1.0 8.03 ? 118 ARG A N 1 118 . A ATOM 1018 C CA . ARG A 1 118 ? 22.379 9.795 14.916 1.0 8.17 ? 118 ARG A CA 1 118 . A ATOM 1019 C C . ARG A 1 118 ? 21.766 9.229 16.198 1.0 7.69 ? 118 ARG A C 1 118 . A ATOM 1020 O O . ARG A 1 118 ? 22.420 9.262 17.236 1.0 8.83 ? 118 ARG A O 1 118 . A ATOM 1021 C CB A ARG A 1 118 ? 22.263 11.316 14.948 0.48 8.58 ? 118 ARG A CB 1 118 . A ATOM 1022 C CB B ARG A 1 118 ? 22.431 11.297 14.823 0.52 9.83 ? 118 ARG A CB 1 118 . A ATOM 1023 C CG A ARG A 1 118 ? 23.352 11.941 14.089 0.48 7.68 ? 118 ARG A CG 1 118 . A ATOM 1024 C CG B ARG A 1 118 ? 23.171 11.739 13.550 0.52 15.8 ? 118 ARG A CG 1 118 . A ATOM 1025 C CD A ARG A 1 118 ? 23.310 13.419 14.064 0.48 10.64 ? 118 ARG A CD 1 118 . A ATOM 1026 C CD B ARG A 1 118 ? 23.475 13.210 13.525 0.52 16.31 ? 118 ARG A CD 1 118 . A ATOM 1027 N NE A ARG A 1 118 ? 24.378 14.046 13.276 0.48 9.06 ? 118 ARG A NE 1 118 . A ATOM 1028 N NE B ARG A 1 118 ? 24.333 13.562 14.647 0.52 19.19 ? 118 ARG A NE 1 118 . A ATOM 1029 C CZ A ARG A 1 118 ? 25.358 14.750 13.847 0.48 9.25 ? 118 ARG A CZ 1 118 . A ATOM 1030 C CZ B ARG A 1 118 ? 25.025 14.659 14.858 0.52 15.7 ? 118 ARG A CZ 1 118 . A ATOM 1031 N NH1 A ARG A 1 118 ? 25.443 14.907 15.135 0.48 10.54 ? 118 ARG A NH1 1 118 . A ATOM 1032 N NH1 B ARG A 1 118 ? 25.011 15.623 13.951 0.52 23.8 ? 118 ARG A NH1 1 118 . A ATOM 1033 N NH2 A ARG A 1 118 ? 26.280 15.327 13.102 0.48 9.9 ? 118 ARG A NH2 1 118 . A ATOM 1034 N NH2 B ARG A 1 118 ? 25.714 14.727 15.982 0.52 24.44 ? 118 ARG A NH2 1 118 . A ATOM 1035 N N . HIS A 1 119 ? 20.470 8.834 16.168 1.0 7.31 ? 119 HIS A N 1 119 . A ATOM 1036 C CA . HIS A 1 119 ? 19.746 8.538 17.398 1.0 7.23 ? 119 HIS A CA 1 119 . A ATOM 1037 C C . HIS A 1 119 ? 18.920 7.261 17.279 1.0 7.23 ? 119 HIS A C 1 119 . A ATOM 1038 O O . HIS A 1 119 ? 17.747 7.241 17.604 1.0 7.69 ? 119 HIS A O 1 119 . A ATOM 1039 C CB . HIS A 1 119 ? 18.818 9.679 17.813 1.0 7.71 ? 119 HIS A CB 1 119 . A ATOM 1040 C CG . HIS A 1 119 ? 19.518 11.002 17.809 1.0 7.61 ? 119 HIS A CG 1 119 . A ATOM 1041 N ND1 . HIS A 1 119 ? 20.563 11.297 18.610 1.0 7.69 ? 119 HIS A ND1 1 119 . A ATOM 1042 C CD2 . HIS A 1 119 ? 19.374 12.062 16.981 1.0 8.76 ? 119 HIS A CD2 1 119 . A ATOM 1043 C CE1 . HIS A 1 119 ? 21.024 12.520 18.317 1.0 8.07 ? 119 HIS A CE1 1 119 . A ATOM 1044 N NE2 . HIS A 1 119 ? 20.277 13.015 17.307 1.0 9.51 ? 119 HIS A NE2 1 119 . A ATOM 1045 N N . PRO A 1 120 ? 19.539 6.166 16.831 1.0 8.28 ? 120 PRO A N 1 120 . A ATOM 1046 C CA . PRO A 1 120 ? 18.711 4.970 16.538 1.0 8.72 ? 120 PRO A CA 1 120 . A ATOM 1047 C C . PRO A 1 120 ? 17.915 4.476 17.753 1.0 8.29 ? 120 PRO A C 1 120 . A ATOM 1048 O O . PRO A 1 120 ? 16.753 4.048 17.612 1.0 9.63 ? 120 PRO A O 1 120 . A ATOM 1049 C CB . PRO A 1 120 ? 19.721 3.942 16.058 1.0 10.13 ? 120 PRO A CB 1 120 . A ATOM 1050 C CG . PRO A 1 120 ? 21.064 4.417 16.596 1.0 10.54 ? 120 PRO A CG 1 120 . A ATOM 1051 C CD . PRO A 1 120 ? 20.948 5.913 16.540 1.0 9.31 ? 120 PRO A CD 1 120 . A ATOM 1052 N N . GLY A 1 121 ? 18.516 4.499 18.941 1.0 8.65 ? 121 GLY A N 1 121 . A ATOM 1053 C CA . GLY A 1 121 ? 17.835 4.026 20.120 1.0 10.28 ? 121 GLY A CA 1 121 . A ATOM 1054 C C . GLY A 1 121 ? 16.637 4.833 20.538 1.0 9.48 ? 121 GLY A C 1 121 . A ATOM 1055 O O . GLY A 1 121 ? 15.787 4.339 21.268 1.0 14.08 ? 121 GLY A O 1 121 . A ATOM 1056 N N . ASP A 1 122 ? 16.521 6.073 20.070 1.0 8.1 ? 122 ASP A N 1 122 . A ATOM 1057 C CA . ASP A 1 122 ? 15.404 6.957 20.340 1.0 8.74 ? 122 ASP A CA 1 122 . A ATOM 1058 C C . ASP A 1 122 ? 14.642 7.275 19.056 1.0 8.2 ? 122 ASP A C 1 122 . A ATOM 1059 O O . ASP A 1 122 ? 13.860 8.234 19.028 1.0 10.36 ? 122 ASP A O 1 122 . A ATOM 1060 C CB . ASP A 1 122 ? 15.874 8.232 21.061 1.0 10.63 ? 122 ASP A CB 1 122 . A ATOM 1061 C CG . ASP A 1 122 ? 16.387 7.891 22.436 1.0 11.24 ? 122 ASP A CG 1 122 . A ATOM 1062 O OD1 . ASP A 1 122 ? 15.658 7.520 23.333 1.0 13.51 ? 122 ASP A OD1 1 122 . A ATOM 1063 O OD2 . ASP A 1 122 ? 17.654 7.943 22.607 1.0 14.04 ? 122 ASP A OD2 1 122 . A ATOM 1064 N N . PHE A 1 123 ? 14.847 6.454 18.049 1.0 8.31 ? 123 PHE A N 1 123 . A ATOM 1065 C CA . PHE A 1 123 ? 14.257 6.723 16.762 1.0 8.52 ? 123 PHE A CA 1 123 . A ATOM 1066 C C . PHE A 1 123 ? 13.903 5.410 16.098 1.0 8.86 ? 123 PHE A C 1 123 . A ATOM 1067 O O . PHE A 1 123 ? 14.194 5.181 14.910 1.0 10.04 ? 123 PHE A O 1 123 . A ATOM 1068 C CB . PHE A 1 123 ? 15.142 7.626 15.880 1.0 9.17 ? 123 PHE A CB 1 123 . A ATOM 1069 C CG . PHE A 1 123 ? 14.342 8.437 14.886 1.0 8.65 ? 123 PHE A CG 1 123 . A ATOM 1070 C CD1 . PHE A 1 123 ? 13.420 9.366 15.336 1.0 9.05 ? 123 PHE A CD1 1 123 . A ATOM 1071 C CD2 . PHE A 1 123 ? 14.478 8.292 13.519 1.0 9.01 ? 123 PHE A CD2 1 123 . A ATOM 1072 C CE1 . PHE A 1 123 ? 12.694 10.154 14.467 1.0 9.8 ? 123 PHE A CE1 1 123 . A ATOM 1073 C CE2 . PHE A 1 123 ? 13.771 9.076 12.648 1.0 10.18 ? 123 PHE A CE2 1 123 . A ATOM 1074 C CZ . PHE A 1 123 ? 12.886 10.017 13.098 1.0 9.77 ? 123 PHE A CZ 1 123 . A ATOM 1075 N N . GLY A 1 124 ? 13.315 4.496 16.870 1.0 9.42 ? 124 GLY A N 1 124 . A ATOM 1076 C CA . GLY A 1 124 ? 12.716 3.308 16.306 1.0 10.88 ? 124 GLY A CA 1 124 . A ATOM 1077 C C . GLY A 1 124 ? 11.462 3.671 15.533 1.0 10.21 ? 124 GLY A C 1 124 . A ATOM 1078 O O . GLY A 1 124 ? 11.128 4.850 15.334 1.0 9.99 ? 124 GLY A O 1 124 . A ATOM 1079 N N . ALA A 1 125 ? 10.772 2.642 15.048 1.0 11.67 ? 125 ALA A N 1 125 . A ATOM 1080 C CA . ALA A 1 125 ? 9.677 2.882 14.124 1.0 11.04 ? 125 ALA A CA 1 125 . A ATOM 1081 C C . ALA A 1 125 ? 8.602 3.751 14.717 1.0 9.87 ? 125 ALA A C 1 125 . A ATOM 1082 O O . ALA A 1 125 ? 8.016 4.582 14.011 1.0 9.52 ? 125 ALA A O 1 125 . A ATOM 1083 C CB . ALA A 1 125 ? 9.093 1.523 13.755 1.0 14.5 ? 125 ALA A CB 1 125 . A ATOM 1084 N N . ASP A 1 126 ? 8.270 3.565 15.976 1.0 11.08 ? 126 ASP A N 1 126 . A ATOM 1085 C CA . ASP A 1 126 ? 7.233 4.374 16.546 1.0 11.02 ? 126 ASP A CA 1 126 . A ATOM 1086 C C . ASP A 1 126 ? 7.621 5.880 16.478 1.0 8.29 ? 126 ASP A C 1 126 . A ATOM 1087 O O . ASP A 1 126 ? 6.797 6.736 16.107 1.0 8.53 ? 126 ASP A O 1 126 . A ATOM 1088 C CB A ASP A 1 126 ? 7.064 3.942 17.979 0.66 13.48 ? 126 ASP A CB 1 126 . A ATOM 1089 C CB B ASP A 1 126 ? 6.818 3.963 17.947 0.34 13.73 ? 126 ASP A CB 1 126 . A ATOM 1090 C CG A ASP A 1 126 ? 8.293 3.902 18.850 0.66 12.65 ? 126 ASP A CG 1 126 . A ATOM 1091 C CG B ASP A 1 126 ? 6.186 2.594 18.025 0.34 14.05 ? 126 ASP A CG 1 126 . A ATOM 1092 O OD1 A ASP A 1 126 ? 9.498 3.969 18.533 0.66 15.72 ? 126 ASP A OD1 1 126 . A ATOM 1093 O OD1 B ASP A 1 126 ? 5.741 2.031 16.997 0.34 18.64 ? 126 ASP A OD1 1 126 . A ATOM 1094 O OD2 A ASP A 1 126 ? 8.000 3.735 20.078 0.66 17.39 ? 126 ASP A OD2 1 126 . A ATOM 1095 O OD2 B ASP A 1 126 ? 6.110 1.994 19.122 0.34 19.55 ? 126 ASP A OD2 1 126 . A ATOM 1096 N N . ALA A 1 127 ? 8.823 6.194 16.883 1.0 8.79 ? 127 ALA A N 1 127 . A ATOM 1097 C CA . ALA A 1 127 ? 9.304 7.565 16.861 1.0 8.18 ? 127 ALA A CA 1 127 . A ATOM 1098 C C . ALA A 1 127 ? 9.442 8.093 15.435 1.0 7.64 ? 127 ALA A C 1 127 . A ATOM 1099 O O . ALA A 1 127 ? 9.164 9.274 15.185 1.0 7.67 ? 127 ALA A O 1 127 . A ATOM 1100 C CB . ALA A 1 127 ? 10.625 7.681 17.590 1.0 9.02 ? 127 ALA A CB 1 127 . A ATOM 1101 N N . GLN A 1 128 ? 9.874 7.235 14.500 1.0 7.96 ? 128 GLN A N 1 128 . A ATOM 1102 C CA . GLN A 1 128 ? 9.949 7.650 13.096 1.0 8.11 ? 128 GLN A CA 1 128 . A ATOM 1103 C C . GLN A 1 128 ? 8.576 8.028 12.581 1.0 7.87 ? 128 GLN A C 1 128 . A ATOM 1104 O O . GLN A 1 128 ? 8.388 9.014 11.890 1.0 8.27 ? 128 GLN A O 1 128 . A ATOM 1105 C CB A GLN A 1 128 ? 10.379 6.436 12.251 0.56 10.49 ? 128 GLN A CB 1 128 . A ATOM 1106 C CB B GLN A 1 128 ? 10.624 6.489 12.321 0.44 7.75 ? 128 GLN A CB 1 128 . A ATOM 1107 C CG A GLN A 1 128 ? 11.841 6.127 12.453 0.56 10.72 ? 128 GLN A CG 1 128 . A ATOM 1108 C CG B GLN A 1 128 ? 10.706 6.819 10.852 0.44 10.62 ? 128 GLN A CG 1 128 . A ATOM 1109 C CD A GLN A 1 128 ? 12.195 4.761 11.896 0.56 11.22 ? 128 GLN A CD 1 128 . A ATOM 1110 C CD B GLN A 1 128 ? 11.366 5.787 9.955 0.44 14.72 ? 128 GLN A CD 1 128 . A ATOM 1111 O OE1 A GLN A 1 128 ? 11.700 4.456 10.798 0.56 10.25 ? 128 GLN A OE1 1 128 . A ATOM 1112 O OE1 B GLN A 1 128 ? 11.359 6.155 8.775 0.44 17.95 ? 128 GLN A OE1 1 128 . A ATOM 1113 N NE2 A GLN A 1 128 ? 12.986 3.927 12.624 0.56 9.36 ? 128 GLN A NE2 1 128 . A ATOM 1114 N NE2 B GLN A 1 128 ? 11.892 4.708 10.447 0.44 23.52 ? 128 GLN A NE2 1 128 . A ATOM 1115 N N . GLY A 1 129 ? 7.564 7.184 12.894 1.0 8.37 ? 129 GLY A N 1 129 . A ATOM 1116 C CA . GLY A 1 129 ? 6.217 7.508 12.465 1.0 8.55 ? 129 GLY A CA 1 129 . A ATOM 1117 C C . GLY A 1 129 ? 5.718 8.809 13.060 1.0 7.46 ? 129 GLY A C 1 129 . A ATOM 1118 O O . GLY A 1 129 ? 5.064 9.616 12.377 1.0 8.2 ? 129 GLY A O 1 129 . A ATOM 1119 N N . ALA A 1 130 ? 5.988 9.035 14.351 1.0 7.23 ? 130 ALA A N 1 130 . A ATOM 1120 C CA . ALA A 1 130 ? 5.547 10.263 14.986 1.0 6.88 ? 130 ALA A CA 1 130 . A ATOM 1121 C C . ALA A 1 130 ? 6.215 11.484 14.398 1.0 6.21 ? 130 ALA A C 1 130 . A ATOM 1122 O O . ALA A 1 130 ? 5.583 12.512 14.174 1.0 6.6 ? 130 ALA A O 1 130 . A ATOM 1123 C CB . ALA A 1 130 ? 5.818 10.167 16.489 1.0 8.08 ? 130 ALA A CB 1 130 . A ATOM 1124 N N . MET A 1 131 ? 7.535 11.399 14.147 1.0 6.56 ? 131 MET A N 1 131 . A ATOM 1125 C CA . MET A 1 131 ? 8.242 12.520 13.528 1.0 6.53 ? 131 MET A CA 1 131 . A ATOM 1126 C C . MET A 1 131 ? 7.735 12.770 12.099 1.0 6.95 ? 131 MET A C 1 131 . A ATOM 1127 O O . MET A 1 131 ? 7.559 13.934 11.699 1.0 7.23 ? 131 MET A O 1 131 . A ATOM 1128 C CB . MET A 1 131 ? 9.733 12.250 13.513 1.0 7.12 ? 131 MET A CB 1 131 . A ATOM 1129 C CG . MET A 1 131 ? 10.551 13.438 12.970 1.0 7.77 ? 131 MET A CG 1 131 . A ATOM 1130 S SD . MET A 1 131 ? 10.389 15.014 13.848 1.0 8.39 ? 131 MET A SD 1 131 . A ATOM 1131 C CE . MET A 1 131 ? 11.379 14.613 15.276 1.0 10.49 ? 131 MET A CE 1 131 . A ATOM 1132 N N . ASN A 1 132 ? 7.455 11.707 11.363 1.0 7.56 ? 132 ASN A N 1 132 . A ATOM 1133 C CA . ASN A 1 132 ? 6.863 11.899 10.049 1.0 8.74 ? 132 ASN A CA 1 132 . A ATOM 1134 C C . ASN A 1 132 ? 5.550 12.650 10.192 1.0 7.19 ? 132 ASN A C 1 132 . A ATOM 1135 O O . ASN A 1 132 ? 5.265 13.562 9.417 1.0 7.8 ? 132 ASN A O 1 132 . A ATOM 1136 C CB . ASN A 1 132 ? 6.655 10.534 9.395 1.0 11.32 ? 132 ASN A CB 1 132 . A ATOM 1137 C CG . ASN A 1 132 ? 6.120 10.850 8.024 1.0 13.6 ? 132 ASN A CG 1 132 . A ATOM 1138 O OD1 . ASN A 1 132 ? 6.738 11.486 7.139 1.0 14.92 ? 132 ASN A OD1 1 132 . A ATOM 1139 N ND2 . ASN A 1 132 ? 4.906 10.396 7.855 1.0 17.11 ? 132 ASN A ND2 1 132 . A ATOM 1140 N N . LYS A 1 133 ? 4.716 12.298 11.148 1.0 7.17 ? 133 LYS A N 1 133 . A ATOM 1141 C CA . LYS A 1 133 ? 3.438 12.982 11.347 1.0 7.14 ? 133 LYS A CA 1 133 . A ATOM 1142 C C . LYS A 1 133 ? 3.655 14.450 11.708 1.0 6.29 ? 133 LYS A C 1 133 . A ATOM 1143 O O . LYS A 1 133 ? 2.910 15.322 11.220 1.0 6.51 ? 133 LYS A O 1 133 . A ATOM 1144 C CB A LYS A 1 133 ? 2.536 12.345 12.416 0.55 7.5 ? 133 LYS A CB 1 133 . A ATOM 1145 C CB B LYS A 1 133 ? 2.699 12.157 12.415 0.45 9.65 ? 133 LYS A CB 1 133 . A ATOM 1146 C CG A LYS A 1 133 ? 1.850 11.073 12.117 0.55 8.69 ? 133 LYS A CG 1 133 . A ATOM 1147 C CG B LYS A 1 133 ? 1.245 12.497 12.370 0.45 9.74 ? 133 LYS A CG 1 133 . A ATOM 1148 C CD A LYS A 1 133 ? 0.893 10.594 13.202 0.55 11.34 ? 133 LYS A CD 1 133 . A ATOM 1149 C CD B LYS A 1 133 ? 0.507 11.549 13.298 0.45 11.02 ? 133 LYS A CD 1 133 . A ATOM 1150 C CE A LYS A 1 133 ? 0.117 9.378 12.682 0.55 16.34 ? 133 LYS A CE 1 133 . A ATOM 1151 C CE B LYS A 1 133 ? -0.899 12.042 13.547 0.45 11.91 ? 133 LYS A CE 1 133 . A ATOM 1152 N NZ A LYS A 1 133 ? -1.007 9.033 13.586 0.55 28.47 ? 133 LYS A NZ 1 133 . A ATOM 1153 N NZ B LYS A 1 133 ? -1.538 11.014 14.417 0.45 14.64 ? 133 LYS A NZ 1 133 . A ATOM 1154 N N . ALA A 1 134 ? 4.635 14.756 12.545 1.0 6.01 ? 134 ALA A N 1 134 . A ATOM 1155 C CA . ALA A 1 134 ? 4.895 16.149 12.919 1.0 5.8 ? 134 ALA A CA 1 134 . A ATOM 1156 C C . ALA A 1 134 ? 5.346 16.951 11.717 1.0 5.7 ? 134 ALA A C 1 134 . A ATOM 1157 O O . ALA A 1 134 ? 4.953 18.112 11.545 1.0 6.34 ? 134 ALA A O 1 134 . A ATOM 1158 C CB . ALA A 1 134 ? 5.970 16.201 14.023 1.0 6.84 ? 134 ALA A CB 1 134 . A ATOM 1159 N N . LEU A 1 135 ? 6.200 16.366 10.865 1.0 5.67 ? 135 LEU A N 1 135 . A ATOM 1160 C CA . LEU A 1 135 ? 6.692 17.097 9.700 1.0 6.23 ? 135 LEU A CA 1 135 . A ATOM 1161 C C . LEU A 1 135 ? 5.606 17.190 8.632 1.0 6.11 ? 135 LEU A C 1 135 . A ATOM 1162 O O . LEU A 1 135 ? 5.537 18.191 7.908 1.0 7.01 ? 135 LEU A O 1 135 . A ATOM 1163 C CB . LEU A 1 135 ? 7.965 16.474 9.176 1.0 6.42 ? 135 LEU A CB 1 135 . A ATOM 1164 C CG . LEU A 1 135 ? 9.120 16.528 10.187 1.0 7.28 ? 135 LEU A CG 1 135 . A ATOM 1165 C CD1 . LEU A 1 135 ? 10.314 15.752 9.645 1.0 9.61 ? 135 LEU A CD1 1 135 . A ATOM 1166 C CD2 . LEU A 1 135 ? 9.474 17.947 10.564 1.0 13.11 ? 135 LEU A CD2 1 135 . A ATOM 1167 N N . GLU A 1 136 ? 4.722 16.197 8.541 1.0 6.44 ? 136 GLU A N 1 136 . A ATOM 1168 C CA . GLU A 1 136 ? 3.559 16.304 7.698 1.0 7.16 ? 136 GLU A CA 1 136 . A ATOM 1169 C C . GLU A 1 136 ? 2.679 17.468 8.158 1.0 6.56 ? 136 GLU A C 1 136 . A ATOM 1170 O O . GLU A 1 136 ? 2.147 18.220 7.313 1.0 7.26 ? 136 GLU A O 1 136 . A ATOM 1171 C CB A GLU A 1 136 ? 2.727 15.006 7.754 0.57 9.19 ? 136 GLU A CB 1 136 . A ATOM 1172 C CB B GLU A 1 136 ? 2.765 14.999 7.560 0.43 8.08 ? 136 GLU A CB 1 136 . A ATOM 1173 C CG A GLU A 1 136 ? 3.409 13.915 6.948 0.57 10.36 ? 136 GLU A CG 1 136 . A ATOM 1174 C CG B GLU A 1 136 ? 3.464 14.022 6.640 0.43 8.66 ? 136 GLU A CG 1 136 . A ATOM 1175 C CD A GLU A 1 136 ? 2.718 12.595 7.082 0.57 15.02 ? 136 GLU A CD 1 136 . A ATOM 1176 C CD B GLU A 1 136 ? 2.637 12.845 6.173 0.43 12.32 ? 136 GLU A CD 1 136 . A ATOM 1177 O OE1 A GLU A 1 136 ? 1.931 12.323 8.012 0.57 16.44 ? 136 GLU A OE1 1 136 . A ATOM 1178 O OE1 B GLU A 1 136 ? 1.469 12.671 6.564 0.43 17.75 ? 136 GLU A OE1 1 136 . A ATOM 1179 O OE2 A GLU A 1 136 ? 2.964 11.731 6.190 0.57 21.19 ? 136 GLU A OE2 1 136 . A ATOM 1180 O OE2 B GLU A 1 136 ? 3.206 12.060 5.392 0.43 17.01 ? 136 GLU A OE2 1 136 . A ATOM 1181 N N . LEU A 1 137 ? 2.443 17.602 9.454 1.0 6.7 ? 137 LEU A N 1 137 . A ATOM 1182 C CA . LEU A 1 137 ? 1.616 18.702 9.956 1.0 6.7 ? 137 LEU A CA 1 137 . A ATOM 1183 C C . LEU A 1 137 ? 2.209 20.055 9.606 1.0 6.55 ? 137 LEU A C 1 137 . A ATOM 1184 O O . LEU A 1 137 ? 1.535 20.978 9.166 1.0 6.9 ? 137 LEU A O 1 137 . A ATOM 1185 C CB . LEU A 1 137 ? 1.467 18.550 11.449 1.0 7.48 ? 137 LEU A CB 1 137 . A ATOM 1186 C CG . LEU A 1 137 ? 0.674 19.650 12.157 1.0 8.38 ? 137 LEU A CG 1 137 . A ATOM 1187 C CD1 . LEU A 1 137 ? -0.768 19.694 11.671 1.0 11.59 ? 137 LEU A CD1 1 137 . A ATOM 1188 C CD2 . LEU A 1 137 ? 0.770 19.510 13.646 1.0 10.43 ? 137 LEU A CD2 1 137 . A ATOM 1189 N N . PHE A 1 138 ? 3.535 20.164 9.777 1.0 6.64 ? 138 PHE A N 1 138 . A ATOM 1190 C CA . PHE A 1 138 ? 4.269 21.352 9.382 1.0 6.76 ? 138 PHE A CA 1 138 . A ATOM 1191 C C . PHE A 1 138 ? 3.989 21.687 7.929 1.0 6.69 ? 138 PHE A C 1 138 . A ATOM 1192 O O . PHE A 1 138 ? 3.628 22.819 7.575 1.0 7.4 ? 138 PHE A O 1 138 . A ATOM 1193 C CB A PHE A 1 138 ? 5.772 21.053 9.617 0.49 7.62 ? 138 PHE A CB 1 138 . A ATOM 1194 C CB B PHE A 1 138 ? 5.773 21.173 9.681 0.51 7.31 ? 138 PHE A CB 1 138 . A ATOM 1195 C CG A PHE A 1 138 ? 6.848 21.984 9.142 0.49 6.67 ? 138 PHE A CG 1 138 . A ATOM 1196 C CG B PHE A 1 138 ? 6.628 22.223 9.020 0.51 7.48 ? 138 PHE A CG 1 138 . A ATOM 1197 C CD1 A PHE A 1 138 ? 7.175 23.153 9.814 0.49 8.7 ? 138 PHE A CD1 1 138 . A ATOM 1198 C CD1 B PHE A 1 138 ? 6.699 23.501 9.521 0.51 8.1 ? 138 PHE A CD1 1 138 . A ATOM 1199 C CD2 A PHE A 1 138 ? 7.531 21.700 7.978 0.49 7.62 ? 138 PHE A CD2 1 138 . A ATOM 1200 C CD2 B PHE A 1 138 ? 7.327 21.845 7.896 0.51 10.28 ? 138 PHE A CD2 1 138 . A ATOM 1201 C CE1 A PHE A 1 138 ? 8.156 24.002 9.328 0.49 9.12 ? 138 PHE A CE1 1 138 . A ATOM 1202 C CE1 B PHE A 1 138 ? 7.535 24.370 8.852 0.51 8.56 ? 138 PHE A CE1 1 138 . A ATOM 1203 C CE2 A PHE A 1 138 ? 8.517 22.545 7.485 0.49 8.22 ? 138 PHE A CE2 1 138 . A ATOM 1204 C CE2 B PHE A 1 138 ? 8.122 22.744 7.210 0.51 10.97 ? 138 PHE A CE2 1 138 . A ATOM 1205 C CZ A PHE A 1 138 ? 8.804 23.717 8.159 0.49 9.12 ? 138 PHE A CZ 1 138 . A ATOM 1206 C CZ B PHE A 1 138 ? 8.227 24.003 7.719 0.51 10.07 ? 138 PHE A CZ 1 138 . A ATOM 1207 N N . ARG A 1 139 ? 4.160 20.696 7.046 1.0 7.16 ? 139 ARG A N 1 139 . A ATOM 1208 C CA . ARG A 1 139 ? 3.948 20.902 5.620 1.0 8.27 ? 139 ARG A CA 1 139 . A ATOM 1209 C C . ARG A 1 139 ? 2.487 21.255 5.318 1.0 7.75 ? 139 ARG A C 1 139 . A ATOM 1210 O O . ARG A 1 139 ? 2.249 22.134 4.443 1.0 8.35 ? 139 ARG A O 1 139 . A ATOM 1211 C CB . ARG A 1 139 ? 4.361 19.649 4.823 1.0 8.27 ? 139 ARG A CB 1 139 . A ATOM 1212 C CG . ARG A 1 139 ? 5.792 19.365 4.783 1.0 9.77 ? 139 ARG A CG 1 139 . A ATOM 1213 C CD . ARG A 1 139 ? 6.170 18.451 3.655 1.0 11.86 ? 139 ARG A CD 1 139 . A ATOM 1214 N NE . ARG A 1 139 ? 5.533 17.132 3.516 1.0 10.23 ? 139 ARG A NE 1 139 . A ATOM 1215 C CZ . ARG A 1 139 ? 5.878 16.134 4.268 1.0 9.88 ? 139 ARG A CZ 1 139 . A ATOM 1216 N NH1 . ARG A 1 139 ? 6.808 16.237 5.196 1.0 11.77 ? 139 ARG A NH1 1 139 . A ATOM 1217 N NH2 . ARG A 1 139 ? 5.364 14.987 4.038 1.0 12.14 ? 139 ARG A NH2 1 139 . A ATOM 1218 N N . LYS A 1 140 ? 1.550 20.574 5.945 1.0 7.77 ? 140 LYS A N 1 140 . A ATOM 1219 C CA . LYS A 1 140 ? 0.136 20.841 5.720 1.0 8.33 ? 140 LYS A CA 1 140 . A ATOM 1220 C C . LYS A 1 140 ? -0.145 22.296 5.996 1.0 7.16 ? 140 LYS A C 1 140 . A ATOM 1221 O O . LYS A 1 140 ? -0.844 23.004 5.223 1.0 8.35 ? 140 LYS A O 1 140 . A ATOM 1222 C CB . LYS A 1 140 ? -0.696 19.928 6.652 1.0 9.78 ? 140 LYS A CB 1 140 . A ATOM 1223 C CG . LYS A 1 140 ? -2.194 20.239 6.636 1.0 13.19 ? 140 LYS A CG 1 140 . A ATOM 1224 C CD . LYS A 1 140 ? -2.938 19.434 7.728 1.0 17.91 ? 140 LYS A CD 1 140 . A ATOM 1225 C CE . LYS A 1 140 ? -4.359 19.848 7.902 1.0 25.51 ? 140 LYS A CE 1 140 . A ATOM 1226 N NZ . LYS A 1 140 ? -5.196 19.152 8.879 1.0 36.31 ? 140 LYS A NZ 1 140 . A ATOM 1227 N N . ASP A 1 141 ? 0.334 22.771 7.136 1.0 7.19 ? 141 ASP A N 1 141 . A ATOM 1228 C CA . ASP A 1 141 ? 0.017 24.122 7.544 1.0 7.76 ? 141 ASP A CA 1 141 . A ATOM 1229 C C . ASP A 1 141 ? 0.734 25.164 6.735 1.0 7.8 ? 141 ASP A C 1 141 . A ATOM 1230 O O . ASP A 1 141 ? 0.136 26.222 6.407 1.0 9.49 ? 141 ASP A O 1 141 . A ATOM 1231 C CB . ASP A 1 141 ? 0.225 24.259 9.044 1.0 8.0 ? 141 ASP A CB 1 141 . A ATOM 1232 C CG . ASP A 1 141 ? -0.770 23.522 9.937 1.0 9.01 ? 141 ASP A CG 1 141 . A ATOM 1233 O OD1 . ASP A 1 141 ? -1.786 23.021 9.398 1.0 11.21 ? 141 ASP A OD1 1 141 . A ATOM 1234 O OD2 . ASP A 1 141 ? -0.537 23.469 11.171 1.0 10.79 ? 141 ASP A OD2 1 141 . A ATOM 1235 N N . ILE A 1 142 ? 1.972 24.913 6.355 1.0 7.51 ? 142 ILE A N 1 142 . A ATOM 1236 C CA . ILE A 1 142 ? 2.632 25.820 5.403 1.0 7.71 ? 142 ILE A CA 1 142 . A ATOM 1237 C C . ILE A 1 142 ? 1.877 25.821 4.076 1.0 7.82 ? 142 ILE A C 1 142 . A ATOM 1238 O O . ILE A 1 142 ? 1.702 26.897 3.495 1.0 8.54 ? 142 ILE A O 1 142 . A ATOM 1239 C CB A ILE A 1 142 ? 4.118 25.396 5.225 0.67 8.65 ? 142 ILE A CB 1 142 . A ATOM 1240 C CB B ILE A 1 142 ? 4.126 25.476 5.250 0.33 10.0 ? 142 ILE A CB 1 142 . A ATOM 1241 C CG1 A ILE A 1 142 ? 4.942 25.567 6.467 0.67 8.77 ? 142 ILE A CG1 1 142 . A ATOM 1242 C CG1 B ILE A 1 142 ? 4.830 25.774 6.565 0.33 9.71 ? 142 ILE A CG1 1 142 . A ATOM 1243 C CG2 A ILE A 1 142 ? 4.712 26.220 4.070 0.67 9.12 ? 142 ILE A CG2 1 142 . A ATOM 1244 C CG2 B ILE A 1 142 ? 4.744 26.229 4.084 0.33 9.34 ? 142 ILE A CG2 1 142 . A ATOM 1245 C CD1 A ILE A 1 142 ? 5.220 26.997 6.872 0.67 10.55 ? 142 ILE A CD1 1 142 . A ATOM 1246 C CD1 B ILE A 1 142 ? 6.247 25.335 6.680 0.33 9.58 ? 142 ILE A CD1 1 142 . A ATOM 1247 N N . ALA A 1 143 ? 1.483 24.673 3.579 1.0 8.08 ? 143 ALA A N 1 143 . A ATOM 1248 C CA . ALA A 1 143 ? 0.809 24.596 2.290 1.0 8.9 ? 143 ALA A CA 1 143 . A ATOM 1249 C C . ALA A 1 143 ? -0.456 25.405 2.295 1.0 8.58 ? 143 ALA A C 1 143 . A ATOM 1250 O O . ALA A 1 143 ? -0.783 26.036 1.262 1.0 9.56 ? 143 ALA A O 1 143 . A ATOM 1251 C CB . ALA A 1 143 ? 0.518 23.127 1.967 1.0 9.74 ? 143 ALA A CB 1 143 . A ATOM 1252 N N . ALA A 1 144 ? -1.186 25.438 3.398 1.0 8.71 ? 144 ALA A N 1 144 . A ATOM 1253 C CA . ALA A 1 144 ? -2.420 26.238 3.433 1.0 9.39 ? 144 ALA A CA 1 144 . A ATOM 1254 C C . ALA A 1 144 ? -2.105 27.704 3.300 1.0 10.04 ? 144 ALA A C 1 144 . A ATOM 1255 O O . ALA A 1 144 ? -2.854 28.464 2.675 1.0 11.6 ? 144 ALA A O 1 144 . A ATOM 1256 C CB . ALA A 1 144 ? -3.209 25.926 4.709 1.0 10.62 ? 144 ALA A CB 1 144 . A ATOM 1257 N N . LYS A 1 145 ? -1.015 28.175 3.896 1.0 9.14 ? 145 LYS A N 1 145 . A ATOM 1258 C CA . LYS A 1 145 ? -0.593 29.539 3.774 1.0 10.64 ? 145 LYS A CA 1 145 . A ATOM 1259 C C . LYS A 1 145 ? -0.120 29.857 2.355 1.0 10.74 ? 145 LYS A C 1 145 . A ATOM 1260 O O . LYS A 1 145 ? -0.405 30.909 1.769 1.0 12.95 ? 145 LYS A O 1 145 . A ATOM 1261 C CB . LYS A 1 145 ? 0.467 29.898 4.793 1.0 11.56 ? 145 LYS A CB 1 145 . A ATOM 1262 C CG . LYS A 1 145 ? 0.069 29.802 6.266 1.0 18.08 ? 145 LYS A CG 1 145 . A ATOM 1263 C CD . LYS A 1 145 ? -0.936 30.870 6.688 1.0 28.19 ? 145 LYS A CD 1 145 . A ATOM 1264 C CE . LYS A 1 145 ? -1.826 30.400 7.826 1.0 35.37 ? 145 LYS A CE 1 145 . A ATOM 1265 N NZ . LYS A 1 145 ? -2.979 29.618 7.269 1.0 25.89 ? 145 LYS A NZ 1 145 . A ATOM 1266 N N . TYR A 1 146 ? 0.639 28.922 1.766 1.0 9.77 ? 146 TYR A N 1 146 . A ATOM 1267 C CA . TYR A 1 146 ? 1.041 29.069 0.360 1.0 10.61 ? 146 TYR A CA 1 146 . A ATOM 1268 C C . TYR A 1 146 ? -0.225 29.250 -0.498 1.0 11.15 ? 146 TYR A C 1 146 . A ATOM 1269 O O . TYR A 1 146 ? -0.235 30.068 -1.410 1.0 14.42 ? 146 TYR A O 1 146 . A ATOM 1270 C CB A TYR A 1 146 ? 1.710 27.777 -0.048 0.49 9.16 ? 146 TYR A CB 1 146 . A ATOM 1271 C CB B TYR A 1 146 ? 1.856 27.920 -0.155 0.51 10.0 ? 146 TYR A CB 1 146 . A ATOM 1272 C CG A TYR A 1 146 ? 3.173 27.757 0.281 0.49 8.53 ? 146 TYR A CG 1 146 . A ATOM 1273 C CG B TYR A 1 146 ? 3.353 27.868 0.016 0.51 9.04 ? 146 TYR A CG 1 146 . A ATOM 1274 C CD1 A TYR A 1 146 ? 3.788 28.561 1.241 0.49 8.42 ? 146 TYR A CD1 1 146 . A ATOM 1275 C CD1 B TYR A 1 146 ? 4.018 28.107 1.223 0.51 8.75 ? 146 TYR A CD1 1 146 . A ATOM 1276 C CD2 A TYR A 1 146 ? 3.968 26.870 -0.422 0.49 9.27 ? 146 TYR A CD2 1 146 . A ATOM 1277 C CD2 B TYR A 1 146 ? 4.172 27.546 -1.026 0.51 9.04 ? 146 TYR A CD2 1 146 . A ATOM 1278 C CE1 A TYR A 1 146 ? 5.152 28.481 1.483 0.49 7.75 ? 146 TYR A CE1 1 146 . A ATOM 1279 C CE1 B TYR A 1 146 ? 5.387 28.054 1.361 0.51 8.58 ? 146 TYR A CE1 1 146 . A ATOM 1280 C CE2 A TYR A 1 146 ? 5.321 26.777 -0.189 0.49 9.67 ? 146 TYR A CE2 1 146 . A ATOM 1281 C CE2 B TYR A 1 146 ? 5.560 27.472 -0.945 0.51 9.61 ? 146 TYR A CE2 1 146 . A ATOM 1282 C CZ A TYR A 1 146 ? 5.909 27.571 0.769 0.49 7.69 ? 146 TYR A CZ 1 146 . A ATOM 1283 C CZ B TYR A 1 146 ? 6.155 27.728 0.272 0.51 8.99 ? 146 TYR A CZ 1 146 . A ATOM 1284 O OH A TYR A 1 146 ? 7.259 27.492 0.986 0.49 9.53 ? 146 TYR A OH 1 146 . A ATOM 1285 O OH B TYR A 1 146 ? 7.521 27.666 0.431 0.51 9.87 ? 146 TYR A OH 1 146 . A ATOM 1286 N N . LYS A 1 147 ? -1.250 28.453 -0.279 1.0 12.41 ? 147 LYS A N 1 147 . A ATOM 1287 C CA . LYS A 1 147 ? -2.455 28.490 -1.105 1.0 15.07 ? 147 LYS A CA 1 147 . A ATOM 1288 C C . LYS A 1 147 ? -3.090 29.853 -0.959 1.0 15.77 ? 147 LYS A C 1 147 . A ATOM 1289 O O . LYS A 1 147 ? -3.519 30.453 -1.970 1.0 18.81 ? 147 LYS A O 1 147 . A ATOM 1290 C CB . LYS A 1 147 ? -3.366 27.310 -0.725 1.0 15.52 ? 147 LYS A CB 1 147 . A ATOM 1291 C CG . LYS A 1 147 ? -4.628 27.221 -1.592 1.0 16.76 ? 147 LYS A CG 1 147 . A ATOM 1292 C CD . LYS A 1 147 ? -5.563 26.087 -1.202 1.0 22.46 ? 147 LYS A CD 1 147 . A ATOM 1293 C CE . LYS A 1 147 ? -6.875 26.138 -1.994 1.0 30.28 ? 147 LYS A CE 1 147 . A ATOM 1294 N NZ . LYS A 1 147 ? -6.907 25.262 -3.177 1.0 41.6 ? 147 LYS A NZ 1 147 . A ATOM 1295 N N . GLU A 1 148 ? -3.213 30.366 0.248 1.0 16.07 ? 148 GLU A N 1 148 . A ATOM 1296 C CA . GLU A 1 148 ? -3.772 31.712 0.449 1.0 18.47 ? 148 GLU A CA 1 148 . A ATOM 1297 C C . GLU A 1 148 ? -3.044 32.694 -0.447 1.0 19.64 ? 148 GLU A C 1 148 . A ATOM 1298 O O . GLU A 1 148 ? -3.667 33.536 -1.110 1.0 23.57 ? 148 GLU A O 1 148 . A ATOM 1299 C CB . GLU A 1 148 ? -3.659 32.032 1.924 1.0 19.68 ? 148 GLU A CB 1 148 . A ATOM 1300 C CG . GLU A 1 148 ? -4.001 33.475 2.276 1.0 23.62 ? 148 GLU A CG 1 148 . A ATOM 1301 C CD . GLU A 1 148 ? -3.705 33.769 3.736 1.0 27.2 ? 148 GLU A CD 1 148 . A ATOM 1302 O OE1 . GLU A 1 148 ? -3.482 32.863 4.562 1.0 30.79 ? 148 GLU A OE1 1 148 . A ATOM 1303 O OE2 . GLU A 1 148 ? -3.659 34.981 4.054 1.0 39.07 ? 148 GLU A OE2 1 148 . A ATOM 1304 N N . LEU A 1 149 ? -1.718 32.624 -0.469 1.0 14.93 ? 149 LEU A N 1 149 . A ATOM 1305 C CA . LEU A 1 149 ? -0.870 33.550 -1.190 1.0 15.84 ? 149 LEU A CA 1 149 . A ATOM 1306 C C . LEU A 1 149 ? -0.743 33.299 -2.689 1.0 15.52 ? 149 LEU A C 1 149 . A ATOM 1307 O O . LEU A 1 149 ? -0.105 34.094 -3.379 1.0 21.0 ? 149 LEU A O 1 149 . A ATOM 1308 C CB . LEU A 1 149 ? 0.513 33.513 -0.534 1.0 14.38 ? 149 LEU A CB 1 149 . A ATOM 1309 C CG . LEU A 1 149 ? 0.602 34.120 0.856 1.0 15.73 ? 149 LEU A CG 1 149 . A ATOM 1310 C CD1 . LEU A 1 149 ? 1.972 33.825 1.441 1.0 18.02 ? 149 LEU A CD1 1 149 . A ATOM 1311 C CD2 . LEU A 1 149 ? 0.338 35.610 0.807 1.0 27.92 ? 149 LEU A CD2 1 149 . A ATOM 1312 N N . GLY A 1 150 ? -1.327 32.199 -3.108 1.0 14.64 ? 150 GLY A N 1 150 . A ATOM 1313 C CA . GLY A 1 150 ? -1.223 31.968 -4.522 1.0 15.82 ? 150 GLY A CA 1 150 . A ATOM 1314 C C . GLY A 1 150 ? 0.015 31.316 -4.997 1.0 15.12 ? 150 GLY A C 1 150 . A ATOM 1315 O O . GLY A 1 150 ? 0.306 31.382 -6.183 1.0 17.79 ? 150 GLY A O 1 150 . A ATOM 1316 N N . TYR A 1 151 ? 0.741 30.645 -4.124 1.0 16.93 ? 151 TYR A N 1 151 . A ATOM 1317 C CA . TYR A 1 151 ? 1.894 29.853 -4.417 1.0 20.1 ? 151 TYR A CA 1 151 . A ATOM 1318 C C . TYR A 1 151 ? 1.705 28.352 -4.172 1.0 26.94 ? 151 TYR A C 1 151 . A ATOM 1319 O O . TYR A 1 151 ? 2.668 27.575 -4.301 1.0 41.24 ? 151 TYR A O 1 151 . A ATOM 1320 C CB A TYR A 1 151 ? 3.020 30.468 -3.455 0.5 17.82 ? 151 TYR A CB 1 151 . A ATOM 1321 C CB B TYR A 1 151 ? 3.073 30.254 -3.510 0.5 19.78 ? 151 TYR A CB 1 151 . A ATOM 1322 C CG A TYR A 1 151 ? 4.370 29.863 -3.805 0.5 15.18 ? 151 TYR A CG 1 151 . A ATOM 1323 C CG B TYR A 1 151 ? 3.490 31.695 -3.726 0.5 19.26 ? 151 TYR A CG 1 151 . A ATOM 1324 C CD1 A TYR A 1 151 ? 4.979 30.177 -5.030 0.5 15.93 ? 151 TYR A CD1 1 151 . A ATOM 1325 C CD1 B TYR A 1 151 ? 2.693 32.720 -3.224 0.5 18.49 ? 151 TYR A CD1 1 151 . A ATOM 1326 C CD2 A TYR A 1 151 ? 4.995 28.955 -2.949 0.5 14.01 ? 151 TYR A CD2 1 151 . A ATOM 1327 C CD2 B TYR A 1 151 ? 4.665 31.962 -4.419 0.5 22.32 ? 151 TYR A CD2 1 151 . A ATOM 1328 C CE1 A TYR A 1 151 ? 6.194 29.598 -5.347 0.5 16.35 ? 151 TYR A CE1 1 151 . A ATOM 1329 C CE1 B TYR A 1 151 ? 3.029 34.073 -3.408 0.5 15.98 ? 151 TYR A CE1 1 151 . A ATOM 1330 C CE2 A TYR A 1 151 ? 6.178 28.389 -3.312 0.5 15.27 ? 151 TYR A CE2 1 151 . A ATOM 1331 C CE2 B TYR A 1 151 ? 5.083 33.288 -4.633 0.5 17.59 ? 151 TYR A CE2 1 151 . A ATOM 1332 C CZ A TYR A 1 151 ? 6.777 28.710 -4.502 0.5 14.13 ? 151 TYR A CZ 1 151 . A ATOM 1333 C CZ B TYR A 1 151 ? 4.228 34.237 -4.088 0.5 19.86 ? 151 TYR A CZ 1 151 . A ATOM 1334 O OH A TYR A 1 151 ? 7.987 28.116 -4.803 0.5 17.35 ? 151 TYR A OH 1 151 . A ATOM 1335 O OH B TYR A 1 151 ? 4.662 35.534 -4.306 0.5 21.38 ? 151 TYR A OH 1 151 . A ATOM 1336 O OXT . TYR A 1 151 ? 0.630 27.882 -3.781 1.0 34.27 ? 151 TYR A OXT 1 151 . A HETATM 1337 S S . SO4 B 2 . ? 32.520 29.691 4.157 0.97 7.26 ? 155 SO4 B S 1 155 . A HETATM 1338 O O1 . SO4 B 2 . ? 31.601 29.078 3.127 0.97 8.56 ? 155 SO4 B O1 1 155 . A HETATM 1339 O O2 . SO4 B 2 . ? 33.313 30.751 3.586 0.97 9.07 ? 155 SO4 B O2 1 155 . A HETATM 1340 O O3 . SO4 B 2 . ? 33.338 28.665 4.783 0.97 10.9 ? 155 SO4 B O3 1 155 . A HETATM 1341 O O4 . SO4 B 2 . ? 31.703 30.244 5.246 0.97 8.8 ? 155 SO4 B O4 1 155 . A HETATM 1342 S S . SO4 C 2 . ? 32.904 20.389 12.096 0.78 8.86 ? 156 SO4 C S 1 156 . A HETATM 1343 O O1 . SO4 C 2 . ? 33.574 21.129 13.142 0.78 9.9 ? 156 SO4 C O1 1 156 . A HETATM 1344 O O2 . SO4 C 2 . ? 33.801 20.302 10.954 0.78 13.04 ? 156 SO4 C O2 1 156 . A HETATM 1345 O O3 . SO4 C 2 . ? 31.733 21.132 11.686 0.78 11.87 ? 156 SO4 C O3 1 156 . A HETATM 1346 O O4 . SO4 C 2 . ? 32.465 19.148 12.657 0.78 12.93 ? 156 SO4 C O4 1 156 . A HETATM 1347 C CHA . HEM D 3 . ? 15.904 31.066 5.050 1.0 7.93 ? 154 HEM D CHA 1 154 . A HETATM 1348 C CHB . HEM D 3 . ? 13.782 28.006 8.099 1.0 7.27 ? 154 HEM D CHB 1 154 . A HETATM 1349 C CHC . HEM D 3 . ? 13.251 24.817 4.509 1.0 6.92 ? 154 HEM D CHC 1 154 . A HETATM 1350 C CHD . HEM D 3 . ? 15.381 27.908 1.499 1.0 7.59 ? 154 HEM D CHD 1 154 . A HETATM 1351 C C1A . HEM D 3 . ? 15.320 30.527 6.185 1.0 7.94 ? 154 HEM D C1A 1 154 . A HETATM 1352 C C2A . HEM D 3 . ? 15.292 31.177 7.500 1.0 8.1 ? 154 HEM D C2A 1 154 . A HETATM 1353 C C3A . HEM D 3 . ? 14.744 30.264 8.355 1.0 8.26 ? 154 HEM D C3A 1 154 . A HETATM 1354 C C4A . HEM D 3 . ? 14.411 29.112 7.593 1.0 7.53 ? 154 HEM D C4A 1 154 . A HETATM 1355 C CMA . HEM D 3 . ? 14.477 30.428 9.835 1.0 8.76 ? 154 HEM D CMA 1 154 . A HETATM 1356 C CAA . HEM D 3 . ? 15.687 32.583 7.757 1.0 9.58 ? 154 HEM D CAA 1 154 . A HETATM 1357 C CBA . HEM D 3 . ? 14.458 33.524 7.976 1.0 9.5 ? 154 HEM D CBA 1 154 . A HETATM 1358 C CGA . HEM D 3 . ? 13.561 33.534 6.775 1.0 9.56 ? 154 HEM D CGA 1 154 . A HETATM 1359 O O1A . HEM D 3 . ? 12.400 33.104 6.842 1.0 12.79 ? 154 HEM D O1A 1 154 . A HETATM 1360 O O2A . HEM D 3 . ? 14.050 33.975 5.683 1.0 10.59 ? 154 HEM D O2A 1 154 . A HETATM 1361 C C1B . HEM D 3 . ? 13.423 26.879 7.368 1.0 7.0 ? 154 HEM D C1B 1 154 . A HETATM 1362 C C2B . HEM D 3 . ? 12.776 25.680 7.928 1.0 6.91 ? 154 HEM D C2B 1 154 . A HETATM 1363 C C3B . HEM D 3 . ? 12.644 24.800 6.938 1.0 6.88 ? 154 HEM D C3B 1 154 . A HETATM 1364 C C4B . HEM D 3 . ? 13.185 25.434 5.760 1.0 6.73 ? 154 HEM D C4B 1 154 . A HETATM 1365 C CMB . HEM D 3 . ? 12.364 25.564 9.367 1.0 7.98 ? 154 HEM D CMB 1 154 . A HETATM 1366 C CAB . HEM D 3 . ? 12.101 23.393 6.989 1.0 7.55 ? 154 HEM D CAB 1 154 . A HETATM 1367 C CBB . HEM D 3 . ? 12.295 22.586 8.017 1.0 9.84 ? 154 HEM D CBB 1 154 . A HETATM 1368 C C1C . HEM D 3 . ? 13.834 25.344 3.365 1.0 6.96 ? 154 HEM D C1C 1 154 . A HETATM 1369 C C2C . HEM D 3 . ? 14.050 24.629 2.134 1.0 7.23 ? 154 HEM D C2C 1 154 . A HETATM 1370 C C3C . HEM D 3 . ? 14.671 25.493 1.316 1.0 7.34 ? 154 HEM D C3C 1 154 . A HETATM 1371 C C4C . HEM D 3 . ? 14.805 26.752 2.018 1.0 6.87 ? 154 HEM D C4C 1 154 . A HETATM 1372 C CMC . HEM D 3 . ? 13.686 23.193 1.908 1.0 8.35 ? 154 HEM D CMC 1 154 . A HETATM 1373 C CAC . HEM D 3 . ? 15.240 25.293 -0.044 1.0 8.48 ? 154 HEM D CAC 1 154 . A HETATM 1374 C CBC . HEM D 3 . ? 15.157 24.199 -0.766 1.0 10.28 ? 154 HEM D CBC 1 154 . A HETATM 1375 C C1D . HEM D 3 . ? 15.682 29.076 2.164 1.0 7.65 ? 154 HEM D C1D 1 154 . A HETATM 1376 C C2D . HEM D 3 . ? 16.362 30.195 1.608 1.0 8.54 ? 154 HEM D C2D 1 154 . A HETATM 1377 C C3D . HEM D 3 . ? 16.570 31.069 2.646 1.0 8.66 ? 154 HEM D C3D 1 154 . A HETATM 1378 C C4D . HEM D 3 . ? 15.937 30.499 3.808 1.0 8.04 ? 154 HEM D C4D 1 154 . A HETATM 1379 C CMD . HEM D 3 . ? 16.872 30.306 0.198 1.0 9.24 ? 154 HEM D CMD 1 154 . A HETATM 1380 C CAD . HEM D 3 . ? 17.387 32.329 2.587 1.0 10.11 ? 154 HEM D CAD 1 154 . A HETATM 1381 C CBD . HEM D 3 . ? 18.889 32.017 2.859 1.0 13.0 ? 154 HEM D CBD 1 154 . A HETATM 1382 C CGD . HEM D 3 . ? 19.762 33.226 2.747 1.0 15.06 ? 154 HEM D CGD 1 154 . A HETATM 1383 O O1D . HEM D 3 . ? 20.186 33.643 1.646 1.0 20.48 ? 154 HEM D O1D 1 154 . A HETATM 1384 O O2D . HEM D 3 . ? 20.149 33.749 3.830 1.0 18.29 ? 154 HEM D O2D 1 154 . A HETATM 1385 N NA . HEM D 3 . ? 14.784 29.263 6.257 1.0 7.42 ? 154 HEM D NA 1 154 . A HETATM 1386 N NB . HEM D 3 . ? 13.664 26.679 6.009 1.0 6.82 ? 154 HEM D NB 1 154 . A HETATM 1387 N NC . HEM D 3 . ? 14.311 26.644 3.267 1.0 6.99 ? 154 HEM D NC 1 154 . A HETATM 1388 N ND . HEM D 3 . ? 15.389 29.280 3.475 1.0 7.36 ? 154 HEM D ND 1 154 . A HETATM 1389 FE FE . HEM D 3 . ? 14.515 27.975 4.750 1.0 6.87 ? 154 HEM D FE 1 154 . A HETATM 1390 O O1 . OXY E 4 . ? 16.131 27.289 5.175 1.0 8.68 ? 157 OXY E O1 1 157 . A HETATM 1391 O O2 . OXY E 4 . ? 16.805 26.632 4.375 1.0 13.83 ? 157 OXY E O2 1 157 . A HETATM 1392 O O . HOH F 5 . ? 19.505 7.976 20.657 0.94 10.05 ? 1002 HOH F O 1 1002 . A HETATM 1393 O O . HOH F 5 . ? 11.908 9.269 20.708 1.0 10.31 ? 1003 HOH F O 1 1003 . A HETATM 1394 O O . HOH F 5 . ? 32.863 24.984 12.641 0.99 8.23 ? 1004 HOH F O 1 1004 . A HETATM 1395 O O . HOH F 5 . ? 33.669 25.305 1.403 1.0 13.07 ? 1005 HOH F O 1 1005 . A HETATM 1396 O O . HOH F 5 . ? 4.277 21.878 16.037 1.0 11.62 ? 1006 HOH F O 1 1006 . A HETATM 1397 O O . HOH F 5 . ? 32.496 27.814 0.885 0.97 11.5 ? 1007 HOH F O 1 1007 . A HETATM 1398 O O . HOH F 5 . ? 12.507 18.671 22.374 0.94 12.04 ? 1008 HOH F O 1 1008 . A HETATM 1399 O O . HOH F 5 . ? 22.450 22.353 -7.784 0.96 14.36 ? 1009 HOH F O 1 1009 . A HETATM 1400 O O . HOH F 5 . ? -3.510 23.610 1.406 1.0 16.9 ? 1010 HOH F O 1 1010 . A HETATM 1401 O O . HOH F 5 . ? 24.208 23.374 10.749 0.93 9.78 ? 1011 HOH F O 1 1011 . A HETATM 1402 O O . HOH F 5 . ? -2.936 22.172 3.591 0.94 13.23 ? 1012 HOH F O 1 1012 . A HETATM 1403 O O . HOH F 5 . ? 9.235 29.493 11.960 0.91 11.72 ? 1013 HOH F O 1 1013 . A HETATM 1404 O O . HOH F 5 . ? 10.091 28.998 14.500 1.0 9.35 ? 1014 HOH F O 1 1014 . A HETATM 1405 O O . HOH F 5 . ? 5.552 12.185 -2.352 1.0 15.47 ? 1015 HOH F O 1 1015 . A HETATM 1406 O O . HOH F 5 . ? 25.541 23.394 17.792 1.0 22.62 ? 1016 HOH F O 1 1016 . A HETATM 1407 O O . HOH F 5 . ? 12.050 4.607 19.408 1.0 17.65 ? 1017 HOH F O 1 1017 . A HETATM 1408 O O . HOH F 5 . ? 8.659 27.431 20.906 0.97 15.15 ? 1018 HOH F O 1 1018 . A HETATM 1409 O O . HOH F 5 . ? 0.282 19.791 25.800 0.99 20.86 ? 1019 HOH F O 1 1019 . A HETATM 1410 O O . HOH F 5 . ? 11.650 13.096 26.648 1.0 15.86 ? 1020 HOH F O 1 1020 . A HETATM 1411 O O . HOH F 5 . ? 4.150 6.247 15.942 0.94 11.35 ? 1021 HOH F O 1 1021 . A HETATM 1412 O O . HOH F 5 . ? 5.580 12.213 4.787 0.92 15.6 ? 1022 HOH F O 1 1022 . A HETATM 1413 O O . HOH F 5 . ? 3.547 35.607 13.660 1.0 17.9 ? 1023 HOH F O 1 1023 . A HETATM 1414 O O . HOH F 5 . ? 20.929 31.985 -0.296 1.0 21.47 ? 1024 HOH F O 1 1024 . A HETATM 1415 O O . HOH F 5 . ? 24.640 14.145 5.303 0.91 15.61 ? 1025 HOH F O 1 1025 . A HETATM 1416 O O . HOH F 5 . ? 35.385 26.821 3.482 0.99 25.79 ? 1026 HOH F O 1 1026 . A HETATM 1417 O O . HOH F 5 . ? 0.187 15.047 10.641 0.98 15.13 ? 1027 HOH F O 1 1027 . A HETATM 1418 O O . HOH F 5 . ? 9.534 13.868 25.217 0.95 13.62 ? 1028 HOH F O 1 1028 . A HETATM 1419 O O . HOH F 5 . ? 13.238 31.803 12.837 0.84 13.16 ? 1029 HOH F O 1 1029 . A HETATM 1420 O O . HOH F 5 . ? 23.182 15.084 19.543 0.97 14.61 ? 1030 HOH F O 1 1030 . A HETATM 1421 O O . HOH F 5 . ? 11.282 30.999 11.044 0.84 13.4 ? 1031 HOH F O 1 1031 . A HETATM 1422 O O . HOH F 5 . ? 5.083 8.284 23.828 0.98 21.4 ? 1032 HOH F O 1 1032 . A HETATM 1423 O O . HOH F 5 . ? 16.538 35.231 5.569 1.0 18.75 ? 1033 HOH F O 1 1033 . A HETATM 1424 O O . HOH F 5 . ? 11.934 0.047 15.221 0.99 17.64 ? 1034 HOH F O 1 1034 . A HETATM 1425 O O . HOH F 5 . ? 15.679 31.318 -3.775 1.0 19.77 ? 1035 HOH F O 1 1035 . A HETATM 1426 O O . HOH F 5 . ? 23.716 22.279 20.204 0.88 21.81 ? 1036 HOH F O 1 1036 . A HETATM 1427 O O . HOH F 5 . ? -1.289 9.830 23.776 0.95 21.1 ? 1037 HOH F O 1 1037 . A HETATM 1428 O O . HOH F 5 . ? 32.369 32.038 7.049 1.0 18.6 ? 1038 HOH F O 1 1038 . A HETATM 1429 O O . HOH F 5 . ? 15.790 13.276 25.245 0.88 14.23 ? 1039 HOH F O 1 1039 . A HETATM 1430 O O . HOH F 5 . ? 35.421 19.187 4.465 1.0 15.3 ? 1040 HOH F O 1 1040 . A HETATM 1431 O O . HOH F 5 . ? -3.626 24.609 8.223 0.96 21.49 ? 1041 HOH F O 1 1041 . A HETATM 1432 O O . HOH F 5 . ? -3.492 12.725 23.069 0.97 19.95 ? 1042 HOH F O 1 1042 . A HETATM 1433 O O . HOH F 5 . ? 33.322 22.492 9.077 0.99 23.95 ? 1043 HOH F O 1 1043 . A HETATM 1434 O O . HOH F 5 . ? -1.140 18.008 16.084 1.0 14.86 ? 1044 HOH F O 1 1044 . A HETATM 1435 O O . HOH F 5 . ? 29.750 19.047 13.149 0.74 18.29 ? 1045 HOH F O 1 1045 . A HETATM 1436 O O . HOH F 5 . ? -1.615 22.651 13.690 0.86 16.19 ? 1046 HOH F O 1 1046 . A HETATM 1437 O O . HOH F 5 . ? -0.857 17.580 22.465 0.99 26.68 ? 1047 HOH F O 1 1047 . A HETATM 1438 O O . HOH F 5 . ? -3.735 21.811 10.825 0.85 17.04 ? 1048 HOH F O 1 1048 . A HETATM 1439 O O . HOH F 5 . ? 2.929 36.435 18.322 0.96 16.43 ? 1049 HOH F O 1 1049 . A HETATM 1440 O O . HOH F 5 . ? 16.807 15.680 -7.722 0.96 10.16 ? 1050 HOH F O 1 1050 . A HETATM 1441 O O . HOH F 5 . ? 33.123 25.143 8.759 0.97 12.67 ? 1051 HOH F O 1 1051 . A HETATM 1442 O O . HOH F 5 . ? 29.190 19.673 15.738 0.92 17.87 ? 1052 HOH F O 1 1052 . A HETATM 1443 O O . HOH F 5 . ? 29.272 22.904 6.997 1.0 11.1 ? 1053 HOH F O 1 1053 . A HETATM 1444 O O . HOH F 5 . ? 30.184 22.183 16.186 0.93 16.9 ? 1054 HOH F O 1 1054 . A HETATM 1445 O O . HOH F 5 . ? 28.269 24.093 17.644 0.82 27.49 ? 1055 HOH F O 1 1055 . A HETATM 1446 O O . HOH F 5 . ? 4.366 20.511 13.196 0.94 14.62 ? 1056 HOH F O 1 1056 . A HETATM 1447 O O . HOH F 5 . ? 8.404 36.734 6.407 0.97 24.44 ? 1057 HOH F O 1 1057 . A HETATM 1448 O O . HOH F 5 . ? 19.084 32.468 -2.325 0.86 17.92 ? 1058 HOH F O 1 1058 . A HETATM 1449 O O . HOH F 5 . ? 10.937 33.035 9.251 0.88 11.47 ? 1059 HOH F O 1 1059 . A HETATM 1450 O O . HOH F 5 . ? 23.041 30.545 13.014 0.96 25.38 ? 1060 HOH F O 1 1060 . A HETATM 1451 O O . HOH F 5 . ? 36.198 18.972 -2.508 1.0 13.59 ? 1061 HOH F O 1 1061 . A HETATM 1452 O O . HOH F 5 . ? 7.619 13.985 6.624 0.93 21.34 ? 1062 HOH F O 1 1062 . A HETATM 1453 O O . HOH F 5 . ? 33.352 16.996 14.051 1.0 26.63 ? 1063 HOH F O 1 1063 . A HETATM 1454 O O . HOH F 5 . ? -0.680 20.259 21.724 1.0 21.26 ? 1064 HOH F O 1 1064 . A HETATM 1455 O O . HOH F 5 . ? 24.103 11.846 10.162 1.0 25.82 ? 1065 HOH F O 1 1065 . A HETATM 1456 O O . HOH F 5 . ? 20.161 15.607 24.646 0.92 15.19 ? 1066 HOH F O 1 1066 . A HETATM 1457 O O . HOH F 5 . ? 18.502 0.817 18.140 0.71 19.52 ? 1067 HOH F O 1 1067 . A HETATM 1458 O O . HOH F 5 . ? 15.761 34.324 -1.117 1.0 26.31 ? 1068 HOH F O 1 1068 . A HETATM 1459 O O . HOH F 5 . ? 22.398 25.677 -12.259 0.9 18.03 ? 1069 HOH F O 1 1069 . A HETATM 1460 O O . HOH F 5 . ? 14.431 15.582 -6.458 0.95 12.36 ? 1070 HOH F O 1 1070 . A HETATM 1461 O O . HOH F 5 . ? 29.398 10.490 1.416 0.85 19.82 ? 1071 HOH F O 1 1071 . A HETATM 1462 O O . HOH F 5 . ? 28.533 16.546 14.404 0.94 17.1 ? 1072 HOH F O 1 1072 . A HETATM 1463 O O . HOH F 5 . ? 9.121 1.368 17.900 0.7 21.62 ? 1073 HOH F O 1 1073 . A HETATM 1464 O O . HOH F 5 . ? 16.934 8.787 26.317 0.73 14.1 ? 1074 HOH F O 1 1074 . A HETATM 1465 O O . HOH F 5 . ? 24.389 18.444 -5.128 1.0 20.78 ? 1075 HOH F O 1 1075 . A HETATM 1466 O O . HOH F 5 . ? -5.925 24.934 2.266 0.97 18.42 ? 1076 HOH F O 1 1076 . A HETATM 1467 O O . HOH F 5 . ? 18.842 19.036 25.007 0.8 19.81 ? 1077 HOH F O 1 1077 . A HETATM 1468 O O . HOH F 5 . ? 0.924 32.164 -8.752 0.94 15.88 ? 1078 HOH F O 1 1078 . A HETATM 1469 O O . HOH F 5 . ? 3.769 8.814 10.016 0.99 19.63 ? 1079 HOH F O 1 1079 . A HETATM 1470 O O . HOH F 5 . ? 2.707 7.296 20.468 1.0 21.58 ? 1080 HOH F O 1 1080 . A HETATM 1471 O O . HOH F 5 . ? 24.175 13.450 17.297 0.7 15.79 ? 1081 HOH F O 1 1081 . A HETATM 1472 O O . HOH F 5 . ? 22.793 10.665 8.152 0.86 24.26 ? 1082 HOH F O 1 1082 . A HETATM 1473 O O . HOH F 5 . ? 27.741 31.613 2.076 1.0 17.67 ? 1083 HOH F O 1 1083 . A HETATM 1474 O O . HOH F 5 . ? 24.325 14.680 -5.740 0.99 27.24 ? 1084 HOH F O 1 1084 . A HETATM 1475 O O . HOH F 5 . ? 34.450 17.424 -7.902 0.7 14.32 ? 1085 HOH F O 1 1085 . A HETATM 1476 O O . HOH F 5 . ? 30.271 30.838 1.408 1.0 11.07 ? 1086 HOH F O 1 1086 . A HETATM 1477 O O . HOH F 5 . ? -5.417 36.942 4.480 1.0 19.39 ? 1087 HOH F O 1 1087 . A HETATM 1478 O O . HOH F 5 . ? 18.713 33.703 6.077 0.92 20.91 ? 1088 HOH F O 1 1088 . A HETATM 1479 O O . HOH F 5 . ? 11.620 6.594 21.485 0.79 15.88 ? 1089 HOH F O 1 1089 . A HETATM 1480 O O . HOH F 5 . ? 14.735 26.331 18.943 0.93 17.66 ? 1090 HOH F O 1 1090 . A HETATM 1481 O O . HOH F 5 . ? -4.149 19.663 12.218 1.0 25.78 ? 1091 HOH F O 1 1091 . A HETATM 1482 O O . HOH F 5 . ? 21.328 36.102 4.091 0.7 27.11 ? 1092 HOH F O 1 1092 . A HETATM 1483 O O . HOH F 5 . ? 0.649 35.666 14.370 0.7 20.31 ? 1093 HOH F O 1 1093 . A HETATM 1484 O O . HOH F 5 . ? 16.583 27.339 -9.710 0.76 16.61 ? 1094 HOH F O 1 1094 . A HETATM 1485 O O . HOH F 5 . ? -1.944 27.119 7.936 1.0 15.79 ? 1095 HOH F O 1 1095 . A HETATM 1486 O O . HOH F 5 . ? 2.770 8.308 14.750 1.0 13.47 ? 1096 HOH F O 1 1096 . A HETATM 1487 O O . HOH F 5 . ? -1.716 17.792 18.693 1.0 21.46 ? 1097 HOH F O 1 1097 . A HETATM 1488 O O . HOH F 5 . ? 28.286 16.979 11.020 0.7 17.97 ? 1098 HOH F O 1 1098 . A HETATM 1489 O O . HOH F 5 . ? 13.373 6.227 23.511 0.83 21.03 ? 1099 HOH F O 1 1099 . A HETATM 1490 O O . HOH F 5 . ? 19.416 6.711 8.418 0.87 15.63 ? 1100 HOH F O 1 1100 . A HETATM 1491 O O . HOH F 5 . ? -3.523 16.957 25.042 0.7 28.66 ? 1101 HOH F O 1 1101 . A HETATM 1492 O O . HOH F 5 . ? 18.235 34.623 -0.764 0.71 25.68 ? 1102 HOH F O 1 1102 . A HETATM 1493 O O . HOH F 5 . ? 27.355 30.637 -3.826 1.0 19.62 ? 1103 HOH F O 1 1103 . A HETATM 1494 O O . HOH F 5 . ? 13.815 9.702 5.395 0.88 16.7 ? 1104 HOH F O 1 1104 . A HETATM 1495 O O . HOH F 5 . ? -1.392 26.065 12.196 0.93 21.53 ? 1105 HOH F O 1 1105 . A HETATM 1496 O O . HOH F 5 . ? 4.369 24.113 -3.680 0.96 24.37 ? 1106 HOH F O 1 1106 . A HETATM 1497 O O . HOH F 5 . ? 16.468 14.854 1.173 0.93 13.0 ? 1107 HOH F O 1 1107 . A HETATM 1498 O O . HOH F 5 . ? 15.577 1.484 17.663 1.0 32.12 ? 1108 HOH F O 1 1108 . A HETATM 1499 O O . HOH F 5 . ? -2.618 20.156 14.718 0.87 21.72 ? 1109 HOH F O 1 1109 . A HETATM 1500 O O . HOH F 5 . ? -2.435 23.007 -0.768 1.0 43.51 ? 1110 HOH F O 1 1110 . A HETATM 1501 O O . HOH F 5 . ? 16.882 6.239 7.648 0.9 23.79 ? 1111 HOH F O 1 1111 . A HETATM 1502 O O . HOH F 5 . ? 0.244 30.351 10.168 0.7 19.36 ? 1112 HOH F O 1 1112 . A HETATM 1503 O O . HOH F 5 . ? 11.218 9.286 5.385 0.96 24.56 ? 1113 HOH F O 1 1113 . A HETATM 1504 O O . HOH F 5 . ? 22.240 11.608 -0.734 0.75 28.67 ? 1114 HOH F O 1 1114 . A HETATM 1505 O O . HOH F 5 . ? -0.293 24.890 -1.313 0.95 26.27 ? 1115 HOH F O 1 1115 . A HETATM 1506 O O . HOH F 5 . ? 11.696 30.862 19.517 0.78 27.88 ? 1116 HOH F O 1 1116 . A HETATM 1507 O O . HOH F 5 . ? -6.829 24.152 4.755 0.72 24.53 ? 1117 HOH F O 1 1117 . A HETATM 1508 O O . HOH F 5 . ? 13.199 36.614 5.142 0.88 22.22 ? 1118 HOH F O 1 1118 . A HETATM 1509 O O . HOH F 5 . ? 19.937 32.401 13.340 0.82 19.83 ? 1119 HOH F O 1 1119 . A HETATM 1510 O O . HOH F 5 . ? -0.530 7.325 20.964 0.97 32.99 ? 1120 HOH F O 1 1120 . A HETATM 1511 O O . HOH F 5 . ? 5.510 3.999 21.349 0.8 26.03 ? 1121 HOH F O 1 1121 . A HETATM 1512 O O . HOH F 5 . ? -4.260 30.373 4.985 0.8 31.65 ? 1122 HOH F O 1 1122 . A HETATM 1513 O O . HOH F 5 . ? 20.970 4.079 12.666 0.86 18.64 ? 1123 HOH F O 1 1123 . A HETATM 1514 O O . HOH F 5 . ? 20.408 23.441 21.726 0.7 20.25 ? 1124 HOH F O 1 1124 . A HETATM 1515 O O . HOH F 5 . ? -8.614 25.392 -5.312 0.95 30.52 ? 1125 HOH F O 1 1125 . A HETATM 1516 O O . HOH F 5 . ? 1.629 30.144 17.897 1.0 26.26 ? 1126 HOH F O 1 1126 . A HETATM 1517 O O . HOH F 5 . ? 19.085 31.031 -6.536 0.81 26.5 ? 1127 HOH F O 1 1127 . A HETATM 1518 O O . HOH F 5 . ? 34.260 20.220 -8.322 1.0 32.49 ? 1128 HOH F O 1 1128 . A HETATM 1519 O O . HOH F 5 . ? 4.951 37.497 8.748 0.47 17.16 ? 1129 HOH F O 1 1129 . A HETATM 1520 O O . HOH F 5 . ? 23.499 24.630 -7.389 0.91 29.0 ? 1130 HOH F O 1 1130 . A HETATM 1521 O O . HOH F 5 . ? -4.849 22.708 5.836 0.92 29.28 ? 1131 HOH F O 1 1131 . A HETATM 1522 O O . HOH F 5 . ? -0.253 13.243 8.733 0.71 22.65 ? 1132 HOH F O 1 1132 . A HETATM 1523 O O . HOH F 5 . ? 4.265 6.186 22.555 0.98 30.42 ? 1133 HOH F O 1 1133 . A HETATM 1524 O O . HOH F 5 . ? 3.480 34.080 19.468 0.75 25.81 ? 1134 HOH F O 1 1134 . A HETATM 1525 O O . HOH F 5 . ? 37.125 20.976 -4.005 1.0 36.89 ? 1135 HOH F O 1 1135 . A HETATM 1526 O O . HOH F 5 . ? 35.482 20.165 7.045 0.91 22.82 ? 1136 HOH F O 1 1136 . A HETATM 1527 O O . HOH F 5 . ? 14.458 6.510 9.294 1.0 28.9 ? 1137 HOH F O 1 1137 . A HETATM 1528 O O . HOH F 5 . ? -2.834 10.303 16.852 0.7 32.51 ? 1138 HOH F O 1 1138 . A HETATM 1529 O O . HOH F 5 . ? 20.566 28.475 -12.024 0.49 21.34 ? 1139 HOH F O 1 1139 . A HETATM 1530 O O . HOH F 5 . ? 13.451 2.510 20.451 0.92 31.57 ? 1140 HOH F O 1 1140 . A HETATM 1531 O O . HOH F 5 . ? 2.702 37.855 12.265 0.99 23.57 ? 1141 HOH F O 1 1141 . A HETATM 1532 O O . HOH F 5 . ? 34.813 16.642 5.237 1.0 22.45 ? 1142 HOH F O 1 1142 . A HETATM 1533 O O . HOH F 5 . ? 37.647 20.575 -0.974 0.89 20.58 ? 1143 HOH F O 1 1143 . A HETATM 1534 O O . HOH F 5 . ? 15.588 7.804 28.329 0.83 26.66 ? 1144 HOH F O 1 1144 . A HETATM 1535 O O . HOH F 5 . ? 0.419 6.274 17.185 0.84 24.25 ? 1145 HOH F O 1 1145 . A HETATM 1536 O O . HOH F 5 . ? 3.248 12.366 27.372 1.0 37.03 ? 1146 HOH F O 1 1146 . A HETATM 1537 O O . HOH F 5 . ? 19.138 31.114 -9.377 1.0 32.97 ? 1147 HOH F O 1 1147 . A HETATM 1538 O O . HOH F 5 . ? 30.171 18.350 17.940 1.0 26.31 ? 1148 HOH F O 1 1148 . A HETATM 1539 O O . HOH F 5 . ? 21.644 35.137 0.333 0.91 30.17 ? 1149 HOH F O 1 1149 . A HETATM 1540 O O . HOH F 5 . ? 18.376 7.153 24.922 0.9 30.75 ? 1150 HOH F O 1 1150 . A HETATM 1541 O O . HOH F 5 . ? 6.851 35.977 -5.082 0.79 25.03 ? 1151 HOH F O 1 1151 . A HETATM 1542 O O . HOH F 5 . ? 14.791 12.429 -0.006 0.73 21.6 ? 1152 HOH F O 1 1152 . A HETATM 1543 O O . HOH F 5 . ? 8.045 30.140 19.687 0.94 23.59 ? 1153 HOH F O 1 1153 . A HETATM 1544 O O . HOH F 5 . ? 10.426 11.248 16.805 0.73 16.28 ? 1154 HOH F O 1 1154 . A HETATM 1545 O O . HOH F 5 . ? 9.732 4.579 22.215 0.94 27.71 ? 1155 HOH F O 1 1155 . A HETATM 1546 O O . HOH F 5 . ? 18.097 31.550 14.994 0.99 37.38 ? 1156 HOH F O 1 1156 . A HETATM 1547 O O . HOH F 5 . ? 23.752 4.508 13.359 1.0 41.62 ? 1157 HOH F O 1 1157 . A HETATM 1548 O O . HOH F 5 . ? 15.005 7.546 6.451 0.75 25.02 ? 1158 HOH F O 1 1158 . A HETATM 1549 O O . HOH F 5 . ? 17.069 29.340 -8.253 1.0 29.04 ? 1159 HOH F O 1 1159 . A HETATM 1550 O O . HOH F 5 . ? 25.960 35.217 -3.729 0.81 28.99 ? 1160 HOH F O 1 1160 . A HETATM 1551 O O . HOH F 5 . ? 36.571 22.103 0.882 0.71 27.21 ? 1161 HOH F O 1 1161 . A HETATM 1552 O O . HOH F 5 . ? 26.989 11.647 3.080 1.0 34.17 ? 1162 HOH F O 1 1162 . A HETATM 1553 O O . HOH F 5 . ? -0.178 21.891 24.116 0.95 30.13 ? 1163 HOH F O 1 1163 . A HETATM 1554 O O . HOH F 5 . ? 27.526 20.850 18.724 0.96 32.19 ? 1164 HOH F O 1 1164 . A HETATM 1555 O O . HOH F 5 . ? 22.504 28.950 18.309 0.79 31.66 ? 1165 HOH F O 1 1165 . A HETATM 1556 O O . HOH F 5 . ? 28.145 16.862 7.379 1.0 33.53 ? 1166 HOH F O 1 1166 . A HETATM 1557 O O . HOH F 5 . ? -5.148 11.050 20.856 1.0 33.24 ? 1167 HOH F O 1 1167 . A HETATM 1558 O O . HOH F 5 . ? -0.421 32.862 4.415 0.91 29.44 ? 1168 HOH F O 1 1168 . A HETATM 1559 O O . HOH F 5 . ? 25.787 24.275 -7.735 1.0 26.06 ? 1169 HOH F O 1 1169 . A HETATM 1560 O O . HOH F 5 . ? 26.797 21.585 -7.092 0.98 31.18 ? 1170 HOH F O 1 1170 . A HETATM 1561 O O . HOH F 5 . ? -0.903 27.966 10.277 0.97 27.67 ? 1171 HOH F O 1 1171 . A HETATM 1562 O O . HOH F 5 . ? 16.946 24.827 19.364 0.7 21.87 ? 1172 HOH F O 1 1172 . A HETATM 1563 O O . HOH F 5 . ? 16.100 24.905 -8.435 1.0 16.55 ? 1173 HOH F O 1 1173 . A HETATM 1564 O O . HOH F 5 . ? 16.774 30.616 20.057 1.0 31.13 ? 1174 HOH F O 1 1174 . A HETATM 1565 O O . HOH F 5 . ? 26.756 27.521 13.791 0.7 28.94 ? 1175 HOH F O 1 1175 . A HETATM 1566 O O . HOH F 5 . ? -2.606 16.058 21.271 0.97 30.89 ? 1176 HOH F O 1 1176 . A HETATM 1567 O O . HOH F 5 . ? 16.050 22.905 17.715 0.92 24.15 ? 1177 HOH F O 1 1177 . A HETATM 1568 O O . HOH F 5 . ? -5.371 23.724 11.909 0.7 27.2 ? 1178 HOH F O 1 1178 . A HETATM 1569 O O . HOH F 5 . ? 9.506 26.637 5.371 0.88 26.25 ? 1179 HOH F O 1 1179 . A HETATM 1570 O O . HOH F 5 . ? 18.906 21.977 8.462 0.95 25.28 ? 1180 HOH F O 1 1180 . A HETATM 1571 O O A HOH F 5 . ? 14.396 -0.287 16.044 0.69 16.26 ? 1181 HOH F O 1 1181 . A HETATM 1572 O O B HOH F 5 . ? 13.544 -0.048 17.504 0.31 15.58 ? 1181 HOH F O 1 1181 . A HETATM 1573 O O A HOH F 5 . ? 11.131 6.723 6.547 0.64 19.88 ? 1182 HOH F O 1 1182 . A HETATM 1574 O O B HOH F 5 . ? 10.077 8.027 7.504 0.36 16.25 ? 1182 HOH F O 1 1182 . A HETATM 1575 O O A HOH F 5 . ? 29.406 25.791 15.814 0.52 13.26 ? 1183 HOH F O 1 1183 . A HETATM 1576 O O B HOH F 5 . ? 30.380 26.521 14.541 0.48 8.14 ? 1183 HOH F O 1 1183 . A HETATM 1577 O O A HOH F 5 . ? 15.632 32.384 12.733 0.54 14.21 ? 1184 HOH F O 1 1184 . A HETATM 1578 O O B HOH F 5 . ? 15.803 30.489 13.419 0.46 11.03 ? 1184 HOH F O 1 1184 . A HETATM 1579 O O A HOH F 5 . ? 24.418 12.860 2.843 0.51 19.16 ? 1185 HOH F O 1 1185 . A HETATM 1580 O O B HOH F 5 . ? 24.156 11.932 1.246 0.49 25.35 ? 1185 HOH F O 1 1185 . A HETATM 1581 O O A HOH F 5 . ? 27.064 18.121 -5.495 0.4 15.8 ? 1186 HOH F O 1 1186 . A HETATM 1582 O O B HOH F 5 . ? 16.762 16.233 27.898 0.6 18.28 ? 1186 HOH F O 1 1186 . A HETATM 1583 O O A HOH F 5 . ? 24.544 20.250 -7.318 0.38 17.94 ? 1187 HOH F O 1 1187 . A HETATM 1584 O O B HOH F 5 . ? 14.574 20.105 23.781 0.62 17.15 ? 1187 HOH F O 1 1187 . A #