data_2eb8-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 . MET A 1 1 ? -6.809 14.885 22.342 1.0 29.06 ? 0 MET A N 1 1 . A ATOM 2 C CA . MET A 1 1 ? -5.496 14.204 22.231 1.0 28.42 ? 0 MET A CA 1 1 . A ATOM 3 C C . MET A 1 1 ? -4.336 15.207 22.276 1.0 26.63 ? 0 MET A C 1 1 . A ATOM 4 O O . MET A 1 1 ? -4.170 16.023 21.373 1.0 26.59 ? 0 MET A O 1 1 . A ATOM 5 C CB . MET A 1 1 ? -5.418 13.422 20.927 1.0 29.93 ? 0 MET A CB 1 1 . A ATOM 6 C CG . MET A 1 1 ? -4.270 12.425 20.876 1.0 33.54 ? 0 MET A CG 1 1 . A ATOM 7 S SD . MET A 1 1 ? -4.787 10.836 21.536 1.0 42.13 ? 0 MET A SD 1 1 . A ATOM 8 C CE . MET A 1 1 ? -4.574 11.093 23.310 1.0 40.24 ? 0 MET A CE 1 1 . A ATOM 9 N N . VAL A 1 2 ? -3.511 15.118 23.312 1.0 24.9 ? 1 VAL A N 1 2 . A ATOM 10 C CA . VAL A 1 2 ? -2.314 15.952 23.386 1.0 22.54 ? 1 VAL A CA 1 2 . A ATOM 11 C C . VAL A 1 2 ? -1.161 15.172 24.026 1.0 19.85 ? 1 VAL A C 1 2 . A ATOM 12 O O . VAL A 1 2 ? -1.375 14.402 24.965 1.0 20.24 ? 1 VAL A O 1 2 . A ATOM 13 C CB . VAL A 1 2 ? -2.596 17.376 24.061 1.0 23.62 ? 1 VAL A CB 1 2 . A ATOM 14 C CG1 . VAL A 1 2 ? -3.925 17.414 24.746 1.0 24.47 ? 1 VAL A CG1 1 2 . A ATOM 15 C CG2 . VAL A 1 2 ? -1.500 17.831 24.986 1.0 23.46 ? 1 VAL A CG2 1 2 . A ATOM 16 N N . LEU A 1 3 ? 0.043 15.356 23.494 1.0 16.93 ? 2 LEU A N 1 3 . A ATOM 17 C CA . LEU A 1 3 ? 1.252 14.816 24.123 1.0 15.36 ? 2 LEU A CA 1 3 . A ATOM 18 C C . LEU A 1 3 ? 1.946 15.927 24.874 1.0 14.45 ? 2 LEU A C 1 3 . A ATOM 19 O O . LEU A 1 3 ? 2.018 17.059 24.360 1.0 15.03 ? 2 LEU A O 1 3 . A ATOM 20 C CB . LEU A 1 3 ? 2.242 14.312 23.070 1.0 14.91 ? 2 LEU A CB 1 3 . A ATOM 21 C CG . LEU A 1 3 ? 1.982 12.979 22.337 1.0 12.88 ? 2 LEU A CG 1 3 . A ATOM 22 C CD1 . LEU A 1 3 ? 0.806 13.167 21.383 1.0 14.08 ? 2 LEU A CD1 1 3 . A ATOM 23 C CD2 . LEU A 1 3 ? 3.239 12.541 21.599 1.0 15.28 ? 2 LEU A CD2 1 3 . A ATOM 24 N N . SER A 1 4 ? 2.497 15.601 26.051 1.0 13.54 ? 3 SER A N 1 4 . A ATOM 25 C CA . SER A 1 4 ? 3.386 16.536 26.744 1.0 13.96 ? 3 SER A CA 1 4 . A ATOM 26 C C . SER A 1 4 ? 4.652 16.721 25.914 1.0 13.84 ? 3 SER A C 1 4 . A ATOM 27 O O . SER A 1 4 ? 4.961 15.872 25.064 1.0 13.2 ? 3 SER A O 1 4 . A ATOM 28 C CB . SER A 1 4 ? 3.758 15.975 28.115 1.0 14.27 ? 3 SER A CB 1 4 . A ATOM 29 O OG . SER A 1 4 ? 4.580 14.815 27.977 1.0 13.87 ? 3 SER A OG 1 4 . A ATOM 30 N N . GLU A 1 5 ? 5.392 17.804 26.166 1.0 14.32 ? 4 GLU A N 1 5 . A ATOM 31 C CA . GLU A 1 5 ? 6.704 17.991 25.505 1.0 14.98 ? 4 GLU A CA 1 5 . A ATOM 32 C C . GLU A 1 5 ? 7.627 16.778 25.786 1.0 14.61 ? 4 GLU A C 1 5 . A ATOM 33 O O . GLU A 1 5 ? 8.358 16.318 24.878 1.0 14.0 ? 4 GLU A O 1 5 . A ATOM 34 C CB . GLU A 1 5 ? 7.346 19.320 25.955 1.0 16.37 ? 4 GLU A CB 1 5 . A ATOM 35 C CG . GLU A 1 5 ? 8.786 19.541 25.529 1.0 18.9 ? 4 GLU A CG 1 5 . A ATOM 36 C CD . GLU A 1 5 ? 9.004 19.627 24.026 1.0 24.91 ? 4 GLU A CD 1 5 . A ATOM 37 O OE1 . GLU A 1 5 ? 8.085 20.023 23.282 1.0 27.14 ? 4 GLU A OE1 1 5 . A ATOM 38 O OE2 . GLU A 1 5 ? 10.139 19.307 23.583 1.0 29.86 ? 4 GLU A OE2 1 5 . A ATOM 39 N N . GLY A 1 6 ? 7.590 16.262 27.022 1.0 14.08 ? 5 GLY A N 1 6 . A ATOM 40 C CA . GLY A 1 6 ? 8.343 15.042 27.378 1.0 14.31 ? 5 GLY A CA 1 6 . A ATOM 41 C C . GLY A 1 6 ? 7.958 13.851 26.515 1.0 14.48 ? 5 GLY A C 1 6 . A ATOM 42 O O . GLY A 1 6 ? 8.831 13.083 26.066 1.0 14.83 ? 5 GLY A O 1 6 . A ATOM 43 N N . GLU A 1 7 ? 6.665 13.686 26.248 1.0 13.41 ? 6 GLU A N 1 7 . A ATOM 44 C CA . GLU A 1 7 ? 6.222 12.602 25.357 1.0 13.12 ? 6 GLU A CA 1 7 . A ATOM 45 C C . GLU A 1 7 ? 6.690 12.813 23.908 1.0 12.9 ? 6 GLU A C 1 7 . A ATOM 46 O O . GLU A 1 7 ? 7.135 11.854 23.263 1.0 12.86 ? 6 GLU A O 1 7 . A ATOM 47 C CB . GLU A 1 7 ? 4.711 12.403 25.416 1.0 13.46 ? 6 GLU A CB 1 7 . A ATOM 48 C CG . GLU A 1 7 ? 4.225 11.803 26.713 1.0 14.6 ? 6 GLU A CG 1 7 . A ATOM 49 C CD . GLU A 1 7 ? 2.727 11.698 26.758 1.0 17.19 ? 6 GLU A CD 1 7 . A ATOM 50 O OE1 . GLU A 1 7 ? 2.050 12.739 26.623 1.0 18.21 ? 6 GLU A OE1 1 7 . A ATOM 51 O OE2 . GLU A 1 7 ? 2.208 10.577 26.947 1.0 21.12 ? 6 GLU A OE2 1 7 . A ATOM 52 N N . TRP A 1 8 ? 6.613 14.046 23.410 1.0 12.22 ? 7 TRP A N 1 8 . A ATOM 53 C CA . TRP A 1 8 ? 7.140 14.341 22.066 1.0 12.7 ? 7 TRP A CA 1 8 . A ATOM 54 C C . TRP A 1 8 ? 8.627 14.010 21.969 1.0 13.01 ? 7 TRP A C 1 8 . A ATOM 55 O O . TRP A 1 8 ? 9.088 13.432 20.967 1.0 13.69 ? 7 TRP A O 1 8 . A ATOM 56 C CB . TRP A 1 8 ? 6.896 15.789 21.666 1.0 12.68 ? 7 TRP A CB 1 8 . A ATOM 57 C CG . TRP A 1 8 ? 5.508 16.030 21.200 1.0 13.67 ? 7 TRP A CG 1 8 . A ATOM 58 C CD1 . TRP A 1 8 ? 4.582 16.892 21.744 1.0 14.22 ? 7 TRP A CD1 1 8 . A ATOM 59 C CD2 . TRP A 1 8 ? 4.872 15.413 20.073 1.0 14.51 ? 7 TRP A CD2 1 8 . A ATOM 60 N NE1 . TRP A 1 8 ? 3.413 16.856 21.011 1.0 13.86 ? 7 TRP A NE1 1 8 . A ATOM 61 C CE2 . TRP A 1 8 ? 3.559 15.950 19.987 1.0 14.76 ? 7 TRP A CE2 1 8 . A ATOM 62 C CE3 . TRP A 1 8 ? 5.287 14.459 19.122 1.0 14.31 ? 7 TRP A CE3 1 8 . A ATOM 63 C CZ2 . TRP A 1 8 ? 2.639 15.541 19.000 1.0 15.25 ? 7 TRP A CZ2 1 8 . A ATOM 64 C CZ3 . TRP A 1 8 ? 4.374 14.063 18.136 1.0 13.25 ? 7 TRP A CZ3 1 8 . A ATOM 65 C CH2 . TRP A 1 8 ? 3.062 14.604 18.087 1.0 14.5 ? 7 TRP A CH2 1 8 . A ATOM 66 N N . GLN A 1 9 ? 9.375 14.325 23.024 1.0 13.37 ? 8 GLN A N 1 9 . A ATOM 67 C CA . GLN A 1 9 ? 10.802 13.964 23.021 1.0 15.07 ? 8 GLN A CA 1 9 . A ATOM 68 C C . GLN A 1 9 ? 11.029 12.441 23.010 1.0 14.52 ? 8 GLN A C 1 9 . A ATOM 69 O O . GLN A 1 9 ? 11.955 11.955 22.326 1.0 15.15 ? 8 GLN A O 1 9 . A ATOM 70 C CB . GLN A 1 9 ? 11.560 14.643 24.163 1.0 15.39 ? 8 GLN A CB 1 9 . A ATOM 71 C CG . GLN A 1 9 ? 11.655 16.177 23.994 1.0 19.23 ? 8 GLN A CG 1 9 . A ATOM 72 C CD . GLN A 1 9 ? 12.183 16.615 22.608 1.0 24.28 ? 8 GLN A CD 1 9 . A ATOM 73 O OE1 . GLN A 1 9 ? 13.094 16.000 22.038 1.0 28.43 ? 8 GLN A OE1 1 9 . A ATOM 74 N NE2 . GLN A 1 9 ? 11.610 17.684 22.075 1.0 25.58 ? 8 GLN A NE2 1 9 . A ATOM 75 N N . LEU A 1 10 ? 10.174 11.671 23.702 1.0 13.16 ? 9 LEU A N 1 10 . A ATOM 76 C CA . LEU A 1 10 ? 10.251 10.196 23.598 1.0 13.28 ? 9 LEU A CA 1 10 . A ATOM 77 C C . LEU A 1 10 ? 10.031 9.719 22.145 1.0 13.57 ? 9 LEU A C 1 10 . A ATOM 78 O O . LEU A 1 10 ? 10.767 8.873 21.634 1.0 13.66 ? 9 LEU A O 1 10 . A ATOM 79 C CB . LEU A 1 10 ? 9.233 9.532 24.525 1.0 12.33 ? 9 LEU A CB 1 10 . A ATOM 80 C CG . LEU A 1 10 ? 9.448 9.696 26.037 1.0 14.98 ? 9 LEU A CG 1 10 . A ATOM 81 C CD1 . LEU A 1 10 ? 8.356 8.939 26.804 1.0 13.45 ? 9 LEU A CD1 1 10 . A ATOM 82 C CD2 . LEU A 1 10 ? 10.837 9.174 26.477 1.0 18.13 ? 9 LEU A CD2 1 10 . A ATOM 83 N N . VAL A 1 11 ? 9.037 10.306 21.487 1.0 12.09 ? 10 VAL A N 1 11 . A ATOM 84 C CA . VAL A 1 11 ? 8.697 9.971 20.097 1.0 13.05 ? 10 VAL A CA 1 11 . A ATOM 85 C C . VAL A 1 11 ? 9.857 10.350 19.172 1.0 12.69 ? 10 VAL A C 1 11 . A ATOM 86 O O . VAL A 1 11 ? 10.267 9.543 18.340 1.0 13.15 ? 10 VAL A O 1 11 . A ATOM 87 C CB . VAL A 1 11 ? 7.403 10.690 19.667 1.0 12.51 ? 10 VAL A CB 1 11 . A ATOM 88 C CG1 . VAL A 1 11 ? 7.183 10.534 18.167 1.0 13.81 ? 10 VAL A CG1 1 11 . A ATOM 89 C CG2 . VAL A 1 11 ? 6.230 10.106 20.413 1.0 11.93 ? 10 VAL A CG2 1 11 . A ATOM 90 N N . LEU A 1 12 ? 10.417 11.534 19.362 1.0 13.32 ? 11 LEU A N 1 12 . A ATOM 91 C CA . LEU A 1 12 ? 11.500 11.982 18.480 1.0 15.24 ? 11 LEU A CA 1 12 . A ATOM 92 C C . LEU A 1 12 ? 12.806 11.218 18.729 1.0 15.65 ? 11 LEU A C 1 12 . A ATOM 93 O O . LEU A 1 12 ? 13.575 10.964 17.766 1.0 16.23 ? 11 LEU A O 1 12 . A ATOM 94 C CB . LEU A 1 12 ? 11.648 13.505 18.499 1.0 15.28 ? 11 LEU A CB 1 12 . A ATOM 95 C CG . LEU A 1 12 ? 10.387 14.267 18.049 1.0 17.03 ? 11 LEU A CG 1 12 . A ATOM 96 C CD1 . LEU A 1 12 ? 10.632 15.754 18.056 1.0 21.03 ? 11 LEU A CD1 1 12 . A ATOM 97 C CD2 . LEU A 1 12 ? 9.839 13.813 16.686 1.0 20.65 ? 11 LEU A CD2 1 12 . A ATOM 98 N N . HIS A 1 13 ? 13.049 10.816 19.974 1.0 15.69 ? 12 HIS A N 1 13 . A ATOM 99 C CA . HIS A 1 13 ? 14.230 10.002 20.305 1.0 17.01 ? 12 HIS A CA 1 13 . A ATOM 100 C C . HIS A 1 13 ? 14.192 8.633 19.611 1.0 16.79 ? 12 HIS A C 1 13 . A ATOM 101 O O . HIS A 1 13 ? 15.163 8.246 18.931 1.0 17.25 ? 12 HIS A O 1 13 . A ATOM 102 C CB . HIS A 1 13 ? 14.391 9.852 21.819 1.0 18.16 ? 12 HIS A CB 1 13 . A ATOM 103 C CG . HIS A 1 13 ? 15.664 9.178 22.226 1.0 22.03 ? 12 HIS A CG 1 13 . A ATOM 104 N ND1 . HIS A 1 13 ? 16.868 9.850 22.309 1.0 26.05 ? 12 HIS A ND1 1 13 . A ATOM 105 C CD2 . HIS A 1 13 ? 15.923 7.897 22.582 1.0 25.57 ? 12 HIS A CD2 1 13 . A ATOM 106 C CE1 . HIS A 1 13 ? 17.814 9.007 22.687 1.0 24.82 ? 12 HIS A CE1 1 13 . A ATOM 107 N NE2 . HIS A 1 13 ? 17.268 7.818 22.860 1.0 25.69 ? 12 HIS A NE2 1 13 . A ATOM 108 N N . VAL A 1 14 ? 13.083 7.909 19.741 1.0 16.02 ? 13 VAL A N 1 14 . A ATOM 109 C CA . VAL A 1 14 ? 12.968 6.632 19.000 1.0 15.12 ? 13 VAL A CA 1 14 . A ATOM 110 C C . VAL A 1 14 ? 12.905 6.886 17.465 1.0 15.06 ? 13 VAL A C 1 14 . A ATOM 111 O O . VAL A 1 14 ? 13.425 6.079 16.679 1.0 14.94 ? 13 VAL A O 1 14 . A ATOM 112 C CB . VAL A 1 14 ? 11.811 5.733 19.517 1.0 15.81 ? 13 VAL A CB 1 14 . A ATOM 113 C CG1 . VAL A 1 14 ? 10.484 6.202 18.977 1.0 17.31 ? 13 VAL A CG1 1 14 . A ATOM 114 C CG2 . VAL A 1 14 ? 12.049 4.260 19.129 1.0 14.66 ? 13 VAL A CG2 1 14 . A ATOM 115 N N . TRP A 1 15 ? 12.327 8.004 17.010 1.0 14.27 ? 14 TRP A N 1 15 . A ATOM 116 C CA . TRP A 1 15 ? 12.325 8.248 15.549 1.0 14.58 ? 14 TRP A CA 1 15 . A ATOM 117 C C . TRP A 1 15 ? 13.753 8.386 14.998 1.0 15.43 ? 14 TRP A C 1 15 . A ATOM 118 O O . TRP A 1 15 ? 14.049 7.919 13.896 1.0 15.01 ? 14 TRP A O 1 15 . A ATOM 119 C CB . TRP A 1 15 ? 11.458 9.433 15.108 1.0 15.84 ? 14 TRP A CB 1 15 . A ATOM 120 C CG . TRP A 1 15 ? 10.935 9.164 13.728 1.0 15.72 ? 14 TRP A CG 1 15 . A ATOM 121 C CD1 . TRP A 1 15 ? 11.333 9.734 12.546 1.0 18.12 ? 14 TRP A CD1 1 15 . A ATOM 122 C CD2 . TRP A 1 15 ? 9.965 8.177 13.395 1.0 15.15 ? 14 TRP A CD2 1 15 . A ATOM 123 N NE1 . TRP A 1 15 ? 10.629 9.178 11.505 1.0 17.2 ? 14 TRP A NE1 1 15 . A ATOM 124 C CE2 . TRP A 1 15 ? 9.791 8.210 11.996 1.0 18.14 ? 14 TRP A CE2 1 15 . A ATOM 125 C CE3 . TRP A 1 15 ? 9.208 7.273 14.152 1.0 16.1 ? 14 TRP A CE3 1 15 . A ATOM 126 C CZ2 . TRP A 1 15 ? 8.882 7.372 11.342 1.0 16.22 ? 14 TRP A CZ2 1 15 . A ATOM 127 C CZ3 . TRP A 1 15 ? 8.315 6.430 13.504 1.0 18.94 ? 14 TRP A CZ3 1 15 . A ATOM 128 C CH2 . TRP A 1 15 ? 8.160 6.489 12.105 1.0 16.58 ? 14 TRP A CH2 1 15 . A ATOM 129 N N . ALA A 1 16 ? 14.640 8.989 15.784 1.0 14.67 ? 15 ALA A N 1 16 . A ATOM 130 C CA . ALA A 1 16 ? 16.042 9.082 15.373 1.0 16.27 ? 15 ALA A CA 1 16 . A ATOM 131 C C . ALA A 1 16 ? 16.642 7.686 15.135 1.0 16.86 ? 15 ALA A C 1 16 . A ATOM 132 O O . ALA A 1 16 ? 17.414 7.463 14.169 1.0 16.96 ? 15 ALA A O 1 16 . A ATOM 133 C CB . ALA A 1 16 ? 16.834 9.859 16.425 1.0 16.31 ? 15 ALA A CB 1 16 . A ATOM 134 N N . LYS A 1 17 ? 16.254 6.724 15.964 1.0 15.22 ? 16 LYS A N 1 17 . A ATOM 135 C CA . LYS A 1 17 ? 16.692 5.325 15.773 1.0 16.21 ? 16 LYS A CA 1 17 . A ATOM 136 C C . LYS A 1 17 ? 16.137 4.759 14.468 1.0 15.34 ? 16 LYS A C 1 17 . A ATOM 137 O O . LYS A 1 17 ? 16.820 4.035 13.722 1.0 15.91 ? 16 LYS A O 1 17 . A ATOM 138 C CB . LYS A 1 17 ? 16.313 4.459 16.964 1.0 16.44 ? 16 LYS A CB 1 17 . A ATOM 139 C CG . LYS A 1 17 ? 16.952 4.939 18.273 1.0 19.76 ? 16 LYS A CG 1 17 . A ATOM 140 C CD . LYS A 1 17 ? 16.548 4.065 19.414 1.0 23.66 ? 16 LYS A CD 1 17 . A ATOM 141 C CE . LYS A 1 17 ? 17.170 4.562 20.708 1.0 28.51 ? 16 LYS A CE 1 17 . A ATOM 142 N NZ . LYS A 1 17 ? 18.662 4.383 20.738 1.0 30.81 ? 16 LYS A NZ 1 17 . A ATOM 143 N N . VAL A 1 18 ? 14.886 5.104 14.177 1.0 14.08 ? 17 VAL A N 1 18 . A ATOM 144 C CA . VAL A 1 18 ? 14.242 4.651 12.938 1.0 13.97 ? 17 VAL A CA 1 18 . A ATOM 145 C C . VAL A 1 18 ? 15.046 5.183 11.765 1.0 14.4 ? 17 VAL A C 1 18 . A ATOM 146 O O . VAL A 1 18 ? 15.317 4.449 10.784 1.0 14.79 ? 17 VAL A O 1 18 . A ATOM 147 C CB . VAL A 1 18 ? 12.792 5.151 12.843 1.0 13.76 ? 17 VAL A CB 1 18 . A ATOM 148 C CG1 . VAL A 1 18 ? 12.202 4.794 11.518 1.0 13.35 ? 17 VAL A CG1 1 18 . A ATOM 149 C CG2 . VAL A 1 18 ? 11.975 4.565 14.001 1.0 12.1 ? 17 VAL A CG2 1 18 . A ATOM 150 N N . GLU A 1 19 ? 15.402 6.466 11.856 1.0 14.73 ? 18 GLU A N 1 19 . A ATOM 151 C CA . GLU A 1 19 ? 16.117 7.155 10.792 1.0 15.71 ? 18 GLU A CA 1 19 . A ATOM 152 C C . GLU A 1 19 ? 17.525 6.616 10.572 1.0 15.88 ? 18 GLU A C 1 19 . A ATOM 153 O O . GLU A 1 19 ? 18.092 6.794 9.477 1.0 16.96 ? 18 GLU A O 1 19 . A ATOM 154 C CB . GLU A 1 19 ? 16.129 8.652 11.071 1.0 16.89 ? 18 GLU A CB 1 19 . A ATOM 155 C CG . GLU A 1 19 ? 14.744 9.247 10.841 1.0 17.0 ? 18 GLU A CG 1 19 . A ATOM 156 C CD . GLU A 1 19 ? 14.711 10.763 10.944 1.0 21.66 ? 18 GLU A CD 1 19 . A ATOM 157 O OE1 . GLU A 1 19 ? 13.666 11.342 10.572 1.0 23.69 ? 18 GLU A OE1 1 19 . A ATOM 158 O OE2 . GLU A 1 19 ? 15.718 11.366 11.373 1.0 23.54 ? 18 GLU A OE2 1 19 . A ATOM 159 N N . ALA A 1 20 ? 18.080 5.946 11.575 1.0 14.91 ? 19 ALA A N 1 20 . A ATOM 160 C CA . ALA A 1 20 ? 19.379 5.269 11.393 1.0 15.09 ? 19 ALA A CA 1 20 . A ATOM 161 C C . ALA A 1 20 ? 19.304 4.042 10.503 1.0 14.54 ? 19 ALA A C 1 20 . A ATOM 162 O O . ALA A 1 20 ? 20.334 3.573 10.042 1.0 14.4 ? 19 ALA A O 1 20 . A ATOM 163 C CB . ALA A 1 20 ? 20.001 4.895 12.717 1.0 17.0 ? 19 ALA A CB 1 20 . A ATOM 164 N N . ASP A 1 21 ? 18.099 3.489 10.300 1.0 12.7 ? 20 ASP A N 1 21 . A ATOM 165 C CA . ASP A 1 21 ? 17.950 2.315 9.440 1.0 11.88 ? 20 ASP A CA 1 21 . A ATOM 166 C C . ASP A 1 21 ? 16.517 2.335 8.927 1.0 10.89 ? 20 ASP A C 1 21 . A ATOM 167 O O . ASP A 1 21 ? 15.709 1.458 9.262 1.0 11.44 ? 20 ASP A O 1 21 . A ATOM 168 C CB . ASP A 1 21 ? 18.263 0.993 10.161 1.0 12.92 ? 20 ASP A CB 1 21 . A ATOM 169 C CG . ASP A 1 21 ? 18.113 -0.240 9.252 1.0 13.35 ? 20 ASP A CG 1 21 . A ATOM 170 O OD1 . ASP A 1 21 ? 18.017 -0.127 8.013 1.0 11.95 ? 20 ASP A OD1 1 21 . A ATOM 171 O OD2 . ASP A 1 21 ? 18.065 -1.342 9.815 1.0 16.66 ? 20 ASP A OD2 1 21 . A ATOM 172 N N . VAL A 1 22 ? 16.228 3.321 8.100 1.0 10.86 ? 21 VAL A N 1 22 . A ATOM 173 C CA A VAL A 1 22 ? 14.841 3.510 7.693 0.5 10.01 ? 21 VAL A CA 1 22 . A ATOM 174 C CA B VAL A 1 22 ? 14.853 3.537 7.643 0.5 10.5 ? 21 VAL A CA 1 22 . A ATOM 175 C C . VAL A 1 22 ? 14.381 2.342 6.828 1.0 10.5 ? 21 VAL A C 1 22 . A ATOM 176 O O . VAL A 1 22 ? 13.271 1.820 7.037 1.0 10.84 ? 21 VAL A O 1 22 . A ATOM 177 C CB A VAL A 1 22 ? 14.550 4.910 7.100 0.5 9.92 ? 21 VAL A CB 1 22 . A ATOM 178 C CB B VAL A 1 22 ? 14.706 4.833 6.830 0.5 10.58 ? 21 VAL A CB 1 22 . A ATOM 179 C CG1 A VAL A 1 22 ? 15.298 5.140 5.784 0.5 8.28 ? 21 VAL A CG1 1 22 . A ATOM 180 C CG1 B VAL A 1 22 ? 13.238 5.083 6.497 0.5 11.0 ? 21 VAL A CG1 1 22 . A ATOM 181 C CG2 A VAL A 1 22 ? 13.034 5.124 6.939 0.5 9.87 ? 21 VAL A CG2 1 22 . A ATOM 182 C CG2 B VAL A 1 22 ? 15.282 6.017 7.592 0.5 11.13 ? 21 VAL A CG2 1 22 . A ATOM 183 N N . ALA A 1 23 ? 15.211 1.902 5.878 1.0 10.85 ? 22 ALA A N 1 23 . A ATOM 184 C CA . ALA A 1 23 ? 14.793 0.768 5.030 1.0 11.05 ? 22 ALA A CA 1 23 . A ATOM 185 C C . ALA A 1 23 ? 14.521 -0.510 5.836 1.0 10.29 ? 22 ALA A C 1 23 . A ATOM 186 O O . ALA A 1 23 ? 13.543 -1.212 5.570 1.0 10.44 ? 22 ALA A O 1 23 . A ATOM 187 C CB . ALA A 1 23 ? 15.831 0.520 3.899 1.0 11.98 ? 22 ALA A CB 1 23 . A ATOM 188 N N . GLY A 1 24 ? 15.358 -0.826 6.837 1.0 10.66 ? 23 GLY A N 1 24 . A ATOM 189 C CA . GLY A 1 24 ? 15.111 -2.025 7.655 1.0 10.55 ? 23 GLY A CA 1 24 . A ATOM 190 C C . GLY A 1 24 ? 13.844 -1.894 8.496 1.0 10.61 ? 23 GLY A C 1 24 . A ATOM 191 O O . GLY A 1 24 ? 13.065 -2.869 8.597 1.0 11.85 ? 23 GLY A O 1 24 . A ATOM 192 N N . HIS A 1 25 ? 13.650 -0.726 9.121 1.0 10.16 ? 24 HIS A N 1 25 . A ATOM 193 C CA . HIS A 1 25 ? 12.417 -0.542 9.918 1.0 9.4 ? 24 HIS A CA 1 25 . A ATOM 194 C C . HIS A 1 25 ? 11.205 -0.598 8.959 1.0 10.24 ? 24 HIS A C 1 25 . A ATOM 195 O O . HIS A 1 25 ? 10.174 -1.207 9.308 1.0 9.92 ? 24 HIS A O 1 25 . A ATOM 196 C CB . HIS A 1 25 ? 12.425 0.791 10.641 1.0 10.48 ? 24 HIS A CB 1 25 . A ATOM 197 C CG . HIS A 1 25 ? 13.274 0.808 11.870 1.0 9.16 ? 24 HIS A CG 1 25 . A ATOM 198 N ND1 . HIS A 1 25 ? 14.640 1.011 11.823 1.0 11.53 ? 24 HIS A ND1 1 25 . A ATOM 199 C CD2 . HIS A 1 25 ? 12.953 0.669 13.181 1.0 11.04 ? 24 HIS A CD2 1 25 . A ATOM 200 C CE1 . HIS A 1 25 ? 15.119 0.995 13.057 1.0 11.71 ? 24 HIS A CE1 1 25 . A ATOM 201 N NE2 . HIS A 1 25 ? 14.115 0.800 13.899 1.0 11.89 ? 24 HIS A NE2 1 25 . A ATOM 202 N N . GLY A 1 26 ? 11.326 0.025 7.776 1.0 10.75 ? 25 GLY A N 1 26 . A ATOM 203 C CA . GLY A 1 26 ? 10.186 0.054 6.823 1.0 11.06 ? 25 GLY A CA 1 26 . A ATOM 204 C C . GLY A 1 26 ? 9.818 -1.346 6.354 1.0 11.79 ? 25 GLY A C 1 26 . A ATOM 205 O O . GLY A 1 26 ? 8.623 -1.723 6.285 1.0 10.82 ? 25 GLY A O 1 26 . A ATOM 206 N N . GLN A 1 27 ? 10.845 -2.150 6.043 1.0 10.45 ? 26 GLN A N 1 27 . A ATOM 207 C CA . GLN A 1 27 ? 10.604 -3.546 5.675 1.0 12.5 ? 26 GLN A CA 1 27 . A ATOM 208 C C . GLN A 1 27 ? 9.933 -4.329 6.783 1.0 11.86 ? 26 GLN A C 1 27 . A ATOM 209 O O . GLN A 1 27 ? 8.929 -5.014 6.544 1.0 12.43 ? 26 GLN A O 1 27 . A ATOM 210 C CB . GLN A 1 27 ? 11.902 -4.256 5.322 1.0 13.17 ? 26 GLN A CB 1 27 . A ATOM 211 C CG . GLN A 1 27 ? 12.510 -3.800 4.063 1.0 18.49 ? 26 GLN A CG 1 27 . A ATOM 212 C CD . GLN A 1 27 ? 13.771 -4.571 3.830 1.0 22.88 ? 26 GLN A CD 1 27 . A ATOM 213 O OE1 . GLN A 1 27 ? 14.745 -4.391 4.562 1.0 24.07 ? 26 GLN A OE1 1 27 . A ATOM 214 N NE2 . GLN A 1 27 ? 13.744 -5.503 2.863 1.0 23.97 ? 26 GLN A NE2 1 27 . A ATOM 215 N N . ASP A 1 28 ? 10.477 -4.234 8.004 1.0 10.67 ? 27 ASP A N 1 28 . A ATOM 216 C CA . ASP A 1 28 ? 9.913 -4.951 9.142 1.0 11.43 ? 27 ASP A CA 1 28 . A ATOM 217 C C . ASP A 1 28 ? 8.447 -4.555 9.377 1.0 10.28 ? 27 ASP A C 1 28 . A ATOM 218 O O . ASP A 1 28 ? 7.592 -5.416 9.620 1.0 10.53 ? 27 ASP A O 1 28 . A ATOM 219 C CB . ASP A 1 28 ? 10.727 -4.669 10.394 1.0 11.91 ? 27 ASP A CB 1 28 . A ATOM 220 C CG . ASP A 1 28 ? 12.102 -5.343 10.381 1.0 16.13 ? 27 ASP A CG 1 28 . A ATOM 221 O OD1 . ASP A 1 28 ? 12.846 -5.109 11.364 1.0 17.99 ? 27 ASP A OD1 1 28 . A ATOM 222 O OD2 . ASP A 1 28 ? 12.438 -6.055 9.414 1.0 17.23 ? 27 ASP A OD2 1 28 . A ATOM 223 N N . ILE A 1 29 ? 8.174 -3.257 9.284 1.0 8.71 ? 28 ILE A N 1 29 . A ATOM 224 C CA . ILE A 1 29 ? 6.804 -2.743 9.533 1.0 8.36 ? 28 ILE A CA 1 29 . A ATOM 225 C C . ILE A 1 29 ? 5.798 -3.232 8.477 1.0 9.59 ? 28 ILE A C 1 29 . A ATOM 226 O O . ILE A 1 29 ? 4.700 -3.715 8.807 1.0 10.37 ? 28 ILE A O 1 29 . A ATOM 227 C CB . ILE A 1 29 ? 6.839 -1.206 9.649 1.0 8.18 ? 28 ILE A CB 1 29 . A ATOM 228 C CG1 . ILE A 1 29 ? 7.519 -0.858 11.005 1.0 8.35 ? 28 ILE A CG1 1 29 . A ATOM 229 C CG2 . ILE A 1 29 ? 5.452 -0.610 9.491 1.0 8.55 ? 28 ILE A CG2 1 29 . A ATOM 230 C CD1 . ILE A 1 29 ? 7.976 0.562 11.151 1.0 10.07 ? 28 ILE A CD1 1 29 . A ATOM 231 N N . LEU A 1 30 ? 6.147 -3.116 7.198 1.0 9.64 ? 29 LEU A N 1 30 . A ATOM 232 C CA . LEU A 1 30 ? 5.214 -3.576 6.133 1.0 8.88 ? 29 LEU A CA 1 30 . A ATOM 233 C C . LEU A 1 30 ? 5.033 -5.091 6.130 1.0 8.74 ? 29 LEU A C 1 30 . A ATOM 234 O O . LEU A 1 30 ? 3.941 -5.598 5.870 1.0 9.28 ? 29 LEU A O 1 30 . A ATOM 235 C CB . LEU A 1 30 ? 5.644 -3.027 4.758 1.0 8.89 ? 29 LEU A CB 1 30 . A ATOM 236 C CG . LEU A 1 30 ? 5.482 -1.512 4.553 1.0 8.61 ? 29 LEU A CG 1 30 . A ATOM 237 C CD1 . LEU A 1 30 ? 5.876 -1.114 3.087 1.0 10.65 ? 29 LEU A CD1 1 30 . A ATOM 238 C CD2 . LEU A 1 30 ? 4.057 -1.004 4.869 1.0 9.93 ? 29 LEU A CD2 1 30 . A ATOM 239 N N . ILE A 1 31 ? 6.105 -5.835 6.414 1.0 8.37 ? 30 ILE A N 1 31 . A ATOM 240 C CA . ILE A 1 31 ? 5.977 -7.293 6.490 1.0 10.47 ? 30 ILE A CA 1 31 . A ATOM 241 C C . ILE A 1 31 ? 5.039 -7.647 7.642 1.0 10.51 ? 30 ILE A C 1 31 . A ATOM 242 O O . ILE A 1 31 ? 4.184 -8.511 7.484 1.0 11.28 ? 30 ILE A O 1 31 . A ATOM 243 C CB . ILE A 1 31 ? 7.345 -7.970 6.626 1.0 11.12 ? 30 ILE A CB 1 31 . A ATOM 244 C CG1 . ILE A 1 31 ? 8.111 -7.855 5.308 1.0 12.6 ? 30 ILE A CG1 1 31 . A ATOM 245 C CG2 . ILE A 1 31 ? 7.193 -9.453 6.988 1.0 13.05 ? 30 ILE A CG2 1 31 . A ATOM 246 C CD1 . ILE A 1 31 ? 9.569 -8.306 5.428 1.0 14.06 ? 30 ILE A CD1 1 31 . A ATOM 247 N N . ARG A 1 32 ? 5.206 -6.990 8.788 1.0 10.77 ? 31 ARG A N 1 32 . A ATOM 248 C CA . ARG A 1 32 ? 4.328 -7.252 9.937 1.0 10.6 ? 31 ARG A CA 1 32 . A ATOM 249 C C . ARG A 1 32 ? 2.881 -6.893 9.554 1.0 9.7 ? 31 ARG A C 1 32 . A ATOM 250 O O . ARG A 1 32 ? 1.945 -7.654 9.867 1.0 10.68 ? 31 ARG A O 1 32 . A ATOM 251 C CB . ARG A 1 32 ? 4.793 -6.445 11.146 1.0 11.63 ? 31 ARG A CB 1 32 . A ATOM 252 C CG . ARG A 1 32 ? 3.867 -6.494 12.342 1.0 13.21 ? 31 ARG A CG 1 32 . A ATOM 253 C CD . ARG A 1 32 ? 4.090 -7.645 13.228 1.0 16.4 ? 31 ARG A CD 1 32 . A ATOM 254 N NE . ARG A 1 32 ? 3.126 -7.609 14.349 1.0 19.37 ? 31 ARG A NE 1 32 . A ATOM 255 C CZ . ARG A 1 32 ? 3.070 -8.503 15.336 1.0 21.78 ? 31 ARG A CZ 1 32 . A ATOM 256 N NH1 . ARG A 1 32 ? 2.146 -8.374 16.286 1.0 20.58 ? 31 ARG A NH1 1 32 . A ATOM 257 N NH2 . ARG A 1 32 ? 3.936 -9.503 15.393 1.0 22.12 ? 31 ARG A NH2 1 32 . A ATOM 258 N N . LEU A 1 33 ? 2.685 -5.741 8.925 1.0 9.1 ? 32 LEU A N 1 33 . A ATOM 259 C CA . LEU A 1 33 ? 1.353 -5.328 8.466 1.0 9.37 ? 32 LEU A CA 1 33 . A ATOM 260 C C . LEU A 1 33 ? 0.727 -6.382 7.563 1.0 10.06 ? 32 LEU A C 1 33 . A ATOM 261 O O . LEU A 1 33 ? -0.432 -6.790 7.763 1.0 10.73 ? 32 LEU A O 1 33 . A ATOM 262 C CB . LEU A 1 33 ? 1.438 -3.977 7.730 1.0 9.98 ? 32 LEU A CB 1 33 . A ATOM 263 C CG . LEU A 1 33 ? 0.167 -3.557 6.988 1.0 9.42 ? 32 LEU A CG 1 33 . A ATOM 264 C CD1 . LEU A 1 33 ? -1.025 -3.385 7.907 1.0 12.17 ? 32 LEU A CD1 1 33 . A ATOM 265 C CD2 . LEU A 1 33 ? 0.466 -2.278 6.183 1.0 10.36 ? 32 LEU A CD2 1 33 . A ATOM 266 N N . PHE A 1 34 ? 1.473 -6.819 6.547 1.0 9.1 ? 33 PHE A N 1 34 . A ATOM 267 C CA . PHE A 1 34 ? 0.883 -7.722 5.549 1.0 10.34 ? 33 PHE A CA 1 34 . A ATOM 268 C C . PHE A 1 34 ? 0.697 -9.143 6.081 1.0 10.4 ? 33 PHE A C 1 34 . A ATOM 269 O O . PHE A 1 34 ? -0.212 -9.845 5.621 1.0 13.09 ? 33 PHE A O 1 34 . A ATOM 270 C CB . PHE A 1 34 ? 1.682 -7.702 4.257 1.0 11.33 ? 33 PHE A CB 1 34 . A ATOM 271 C CG . PHE A 1 34 ? 1.673 -6.358 3.582 1.0 11.49 ? 33 PHE A CG 1 34 . A ATOM 272 C CD1 . PHE A 1 34 ? 0.476 -5.642 3.437 1.0 15.38 ? 33 PHE A CD1 1 34 . A ATOM 273 C CD2 . PHE A 1 34 ? 2.837 -5.838 3.039 1.0 15.78 ? 33 PHE A CD2 1 34 . A ATOM 274 C CE1 . PHE A 1 34 ? 0.482 -4.379 2.806 1.0 16.27 ? 33 PHE A CE1 1 34 . A ATOM 275 C CE2 . PHE A 1 34 ? 2.835 -4.599 2.397 1.0 17.14 ? 33 PHE A CE2 1 34 . A ATOM 276 C CZ . PHE A 1 34 ? 1.662 -3.876 2.292 1.0 15.65 ? 33 PHE A CZ 1 34 . A ATOM 277 N N . LYS A 1 35 ? 1.505 -9.541 7.067 1.0 10.51 ? 34 LYS A N 1 35 . A ATOM 278 C CA . LYS A 1 35 ? 1.337 -10.854 7.717 1.0 11.27 ? 34 LYS A CA 1 35 . A ATOM 279 C C . LYS A 1 35 ? 0.124 -10.799 8.670 1.0 11.68 ? 34 LYS A C 1 35 . A ATOM 280 O O . LYS A 1 35 ? -0.660 -11.770 8.763 1.0 13.15 ? 34 LYS A O 1 35 . A ATOM 281 C CB . LYS A 1 35 ? 2.602 -11.278 8.472 1.0 11.78 ? 34 LYS A CB 1 35 . A ATOM 282 C CG . LYS A 1 35 ? 3.684 -11.816 7.548 1.0 14.25 ? 34 LYS A CG 1 35 . A ATOM 283 C CD . LYS A 1 35 ? 5.038 -11.938 8.236 1.0 21.75 ? 34 LYS A CD 1 35 . A ATOM 284 C CE . LYS A 1 35 ? 5.140 -13.039 9.264 1.0 26.03 ? 34 LYS A CE 1 35 . A ATOM 285 N NZ . LYS A 1 35 ? 6.344 -12.734 10.127 1.0 28.37 ? 34 LYS A NZ 1 35 . A ATOM 286 N N . SER A 1 36 ? -0.065 -9.656 9.323 1.0 10.53 ? 35 SER A N 1 36 . A ATOM 287 C CA . SER A 1 36 ? -1.178 -9.486 10.276 1.0 11.7 ? 35 SER A CA 1 36 . A ATOM 288 C C . SER A 1 36 ? -2.500 -9.289 9.534 1.0 11.88 ? 35 SER A C 1 36 . A ATOM 289 O O . SER A 1 36 ? -3.550 -9.697 10.019 1.0 11.96 ? 35 SER A O 1 36 . A ATOM 290 C CB . SER A 1 36 ? -0.922 -8.290 11.196 1.0 11.8 ? 35 SER A CB 1 36 . A ATOM 291 O OG . SER A 1 36 ? 0.223 -8.479 12.004 1.0 15.86 ? 35 SER A OG 1 36 . A ATOM 292 N N . HIS A 1 37 ? -2.435 -8.640 8.375 1.0 11.35 ? 36 HIS A N 1 37 . A ATOM 293 C CA . HIS A 1 37 ? -3.620 -8.202 7.639 1.0 12.57 ? 36 HIS A CA 1 37 . A ATOM 294 C C . HIS A 1 37 ? -3.379 -8.437 6.140 1.0 13.33 ? 36 HIS A C 1 37 . A ATOM 295 O O . HIS A 1 37 ? -3.242 -7.472 5.347 1.0 13.74 ? 36 HIS A O 1 37 . A ATOM 296 C CB . HIS A 1 37 ? -3.935 -6.727 7.967 1.0 13.27 ? 36 HIS A CB 1 37 . A ATOM 297 C CG . HIS A 1 37 ? -4.313 -6.516 9.397 1.0 13.8 ? 36 HIS A CG 1 37 . A ATOM 298 N ND1 . HIS A 1 37 ? -5.573 -6.805 9.881 1.0 18.67 ? 36 HIS A ND1 1 37 . A ATOM 299 C CD2 . HIS A 1 37 ? -3.581 -6.116 10.459 1.0 17.33 ? 36 HIS A CD2 1 37 . A ATOM 300 C CE1 . HIS A 1 37 ? -5.602 -6.567 11.179 1.0 17.96 ? 36 HIS A CE1 1 37 . A ATOM 301 N NE2 . HIS A 1 37 ? -4.411 -6.145 11.555 1.0 19.83 ? 36 HIS A NE2 1 37 . A ATOM 302 N N . PRO A 1 38 ? -3.340 -9.727 5.740 1.0 13.18 ? 37 PRO A N 1 38 . A ATOM 303 C CA . PRO A 1 38 ? -3.006 -10.078 4.345 1.0 13.9 ? 37 PRO A CA 1 38 . A ATOM 304 C C . PRO A 1 38 ? -4.053 -9.547 3.370 1.0 14.83 ? 37 PRO A C 1 38 . A ATOM 305 O O . PRO A 1 38 ? -3.763 -9.393 2.184 1.0 16.44 ? 37 PRO A O 1 38 . A ATOM 306 C CB . PRO A 1 38 ? -2.944 -11.619 4.331 1.0 14.59 ? 37 PRO A CB 1 38 . A ATOM 307 C CG . PRO A 1 38 ? -3.558 -12.079 5.637 1.0 14.02 ? 37 PRO A CG 1 38 . A ATOM 308 C CD . PRO A 1 38 ? -3.616 -10.907 6.597 1.0 13.97 ? 37 PRO A CD 1 38 . A ATOM 309 N N . GLU A 1 39 ? -5.246 -9.245 3.864 1.0 16.52 ? 38 GLU A N 1 39 . A ATOM 310 C CA . GLU A 1 39 ? -6.290 -8.637 3.028 1.0 19.51 ? 38 GLU A CA 1 39 . A ATOM 311 C C . GLU A 1 39 ? -5.901 -7.241 2.489 1.0 20.47 ? 38 GLU A C 1 39 . A ATOM 312 O O . GLU A 1 39 ? -6.380 -6.810 1.425 1.0 22.37 ? 38 GLU A O 1 39 . A ATOM 313 C CB . GLU A 1 39 ? -7.610 -8.576 3.815 1.0 20.09 ? 38 GLU A CB 1 39 . A ATOM 314 C CG . GLU A 1 39 ? -7.692 -7.467 4.900 1.0 22.48 ? 38 GLU A CG 1 39 . A ATOM 315 C CD . GLU A 1 39 ? -7.107 -7.879 6.248 1.0 24.44 ? 38 GLU A CD 1 39 . A ATOM 316 O OE1 . GLU A 1 39 ? -6.443 -8.938 6.352 1.0 23.16 ? 38 GLU A OE1 1 39 . A ATOM 317 O OE2 . GLU A 1 39 ? -7.330 -7.137 7.231 1.0 28.21 ? 38 GLU A OE2 1 39 . A ATOM 318 N N . THR A 1 40 ? -5.021 -6.542 3.204 1.0 19.65 ? 39 THR A N 1 40 . A ATOM 319 C CA . THR A 1 40 ? -4.585 -5.206 2.799 1.0 19.38 ? 39 THR A CA 1 40 . A ATOM 320 C C . THR A 1 40 ? -3.692 -5.264 1.558 1.0 19.55 ? 39 THR A C 1 40 . A ATOM 321 O O . THR A 1 40 ? -3.503 -4.247 0.890 1.0 19.38 ? 39 THR A O 1 40 . A ATOM 322 C CB . THR A 1 40 ? -3.816 -4.474 3.912 1.0 19.35 ? 39 THR A CB 1 40 . A ATOM 323 O OG1 . THR A 1 40 ? -2.594 -5.150 4.149 1.0 17.6 ? 39 THR A OG1 1 40 . A ATOM 324 C CG2 . THR A 1 40 ? -4.633 -4.404 5.221 1.0 21.17 ? 39 THR A CG2 1 40 . A ATOM 325 N N . LEU A 1 41 ? -3.136 -6.442 1.252 1.0 19.85 ? 40 LEU A N 1 41 . A ATOM 326 C CA . LEU A 1 41 ? -2.221 -6.553 0.099 1.0 20.88 ? 40 LEU A CA 1 41 . A ATOM 327 C C . LEU A 1 41 ? -2.936 -6.255 -1.207 1.0 21.74 ? 40 LEU A C 1 41 . A ATOM 328 O O . LEU A 1 41 ? -2.323 -5.747 -2.136 1.0 20.94 ? 40 LEU A O 1 41 . A ATOM 329 C CB . LEU A 1 41 ? -1.566 -7.928 0.004 1.0 20.82 ? 40 LEU A CB 1 41 . A ATOM 330 C CG . LEU A 1 41 ? -0.323 -8.231 0.847 1.0 22.79 ? 40 LEU A CG 1 41 . A ATOM 331 C CD1 . LEU A 1 41 ? -0.135 -9.734 0.936 1.0 23.4 ? 40 LEU A CD1 1 41 . A ATOM 332 C CD2 . LEU A 1 41 ? 0.946 -7.539 0.311 1.0 23.62 ? 40 LEU A CD2 1 41 . A ATOM 333 N N . GLU A 1 42 ? -4.235 -6.562 -1.241 1.0 22.33 ? 41 GLU A N 1 42 . A ATOM 334 C CA . GLU A 1 42 ? -5.054 -6.442 -2.449 1.0 24.36 ? 41 GLU A CA 1 42 . A ATOM 335 C C . GLU A 1 42 ? -5.213 -5.011 -2.936 1.0 24.13 ? 41 GLU A C 1 42 . A ATOM 336 O O . GLU A 1 42 ? -5.509 -4.787 -4.118 1.0 24.46 ? 41 GLU A O 1 42 . A ATOM 337 C CB . GLU A 1 42 ? -6.447 -7.035 -2.202 1.0 24.7 ? 41 GLU A CB 1 42 . A ATOM 338 C CG . GLU A 1 42 ? -7.196 -7.375 -3.473 1.0 29.61 ? 41 GLU A CG 1 42 . A ATOM 339 C CD . GLU A 1 42 ? -8.227 -8.454 -3.270 1.0 35.42 ? 41 GLU A CD 1 42 . A ATOM 340 O OE1 . GLU A 1 42 ? -8.812 -8.542 -2.159 1.0 39.12 ? 41 GLU A OE1 1 42 . A ATOM 341 O OE2 . GLU A 1 42 ? -8.461 -9.217 -4.232 1.0 37.95 ? 41 GLU A OE2 1 42 . A ATOM 342 N N . LYS A 1 43 ? -5.059 -4.054 -2.025 1.0 23.83 ? 42 LYS A N 1 43 . A ATOM 343 C CA . LYS A 1 43 ? -5.254 -2.642 -2.339 1.0 24.62 ? 42 LYS A CA 1 43 . A ATOM 344 C C . LYS A 1 43 ? -4.036 -2.042 -3.020 1.0 23.98 ? 42 LYS A C 1 43 . A ATOM 345 O O . LYS A 1 43 ? -4.084 -0.895 -3.488 1.0 24.14 ? 42 LYS A O 1 43 . A ATOM 346 C CB . LYS A 1 43 ? -5.546 -1.833 -1.065 1.0 25.07 ? 42 LYS A CB 1 43 . A ATOM 347 C CG . LYS A 1 43 ? -6.608 -2.430 -0.177 1.0 28.92 ? 42 LYS A CG 1 43 . A ATOM 348 C CD . LYS A 1 43 ? -8.010 -2.318 -0.750 1.0 31.94 ? 42 LYS A CD 1 43 . A ATOM 349 C CE . LYS A 1 43 ? -8.569 -0.917 -0.636 1.0 34.25 ? 42 LYS A CE 1 43 . A ATOM 350 N NZ . LYS A 1 43 ? -9.992 -0.924 -1.087 1.0 35.93 ? 42 LYS A NZ 1 43 . A ATOM 351 N N . PHE A 1 44 ? -2.950 -2.806 -3.067 1.0 22.53 ? 43 PHE A N 1 44 . A ATOM 352 C CA . PHE A 1 44 ? -1.682 -2.298 -3.527 1.0 22.97 ? 43 PHE A CA 1 44 . A ATOM 353 C C . PHE A 1 44 ? -1.262 -2.985 -4.818 1.0 23.79 ? 43 PHE A C 1 44 . A ATOM 354 O O . PHE A 1 44 ? -0.816 -4.126 -4.803 1.0 22.21 ? 43 PHE A O 1 44 . A ATOM 355 C CB . PHE A 1 44 ? -0.622 -2.473 -2.433 1.0 22.93 ? 43 PHE A CB 1 44 . A ATOM 356 C CG . PHE A 1 44 ? -0.820 -1.566 -1.239 1.0 21.55 ? 43 PHE A CG 1 44 . A ATOM 357 C CD1 . PHE A 1 44 ? -0.273 -0.275 -1.232 1.0 22.41 ? 43 PHE A CD1 1 44 . A ATOM 358 C CD2 . PHE A 1 44 ? -1.520 -2.007 -0.121 1.0 21.01 ? 43 PHE A CD2 1 44 . A ATOM 359 C CE1 . PHE A 1 44 ? -0.436 0.551 -0.127 1.0 22.79 ? 43 PHE A CE1 1 44 . A ATOM 360 C CE2 . PHE A 1 44 ? -1.698 -1.197 0.985 1.0 21.63 ? 43 PHE A CE2 1 44 . A ATOM 361 C CZ . PHE A 1 44 ? -1.154 0.102 0.982 1.0 22.55 ? 43 PHE A CZ 1 44 . A ATOM 362 N N . ASP A 1 45 ? -1.443 -2.287 -5.943 1.0 25.88 ? 44 ASP A N 1 45 . A ATOM 363 C CA . ASP A 1 45 ? -0.967 -2.784 -7.243 1.0 27.79 ? 44 ASP A CA 1 45 . A ATOM 364 C C . ASP A 1 45 ? 0.461 -3.308 -7.201 1.0 27.58 ? 44 ASP A C 1 45 . A ATOM 365 O O . ASP A 1 45 ? 0.732 -4.396 -7.699 1.0 28.08 ? 44 ASP A O 1 45 . A ATOM 366 C CB . ASP A 1 45 ? -1.035 -1.693 -8.308 1.0 28.75 ? 44 ASP A CB 1 45 . A ATOM 367 C CG . ASP A 1 45 ? -2.446 -1.357 -8.710 1.0 32.26 ? 44 ASP A CG 1 45 . A ATOM 368 O OD1 . ASP A 1 45 ? -3.205 -2.283 -9.096 1.0 36.15 ? 44 ASP A OD1 1 45 . A ATOM 369 O OD2 . ASP A 1 45 ? -2.783 -0.151 -8.649 1.0 37.19 ? 44 ASP A OD2 1 45 . A ATOM 370 N N . ARG A 1 46 ? 1.370 -2.540 -6.603 1.0 28.08 ? 45 ARG A N 1 46 . A ATOM 371 C CA . ARG A 1 46 ? 2.781 -2.946 -6.566 1.0 28.11 ? 45 ARG A CA 1 46 . A ATOM 372 C C . ARG A 1 46 ? 3.125 -4.065 -5.591 1.0 28.6 ? 45 ARG A C 1 46 . A ATOM 373 O O . ARG A 1 46 ? 4.289 -4.492 -5.547 1.0 29.1 ? 45 ARG A O 1 46 . A ATOM 374 C CB . ARG A 1 46 ? 3.705 -1.751 -6.336 1.0 28.37 ? 45 ARG A CB 1 46 . A ATOM 375 C CG . ARG A 1 46 ? 4.128 -1.110 -7.624 1.0 28.29 ? 45 ARG A CG 1 46 . A ATOM 376 C CD . ARG A 1 46 ? 4.734 0.228 -7.398 1.0 26.74 ? 45 ARG A CD 1 46 . A ATOM 377 N NE . ARG A 1 46 ? 4.910 0.914 -8.662 1.0 28.9 ? 45 ARG A NE 1 46 . A ATOM 378 C CZ . ARG A 1 46 ? 5.584 2.046 -8.827 1.0 28.31 ? 45 ARG A CZ 1 46 . A ATOM 379 N NH1 . ARG A 1 46 ? 6.159 2.652 -7.789 1.0 32.7 ? 45 ARG A NH1 1 46 . A ATOM 380 N NH2 . ARG A 1 46 ? 5.686 2.570 -10.040 1.0 32.31 ? 45 ARG A NH2 1 46 . A ATOM 381 N N . PHE A 1 47 ? 2.146 -4.532 -4.805 1.0 27.22 ? 46 PHE A N 1 47 . A ATOM 382 C CA . PHE A 1 47 ? 2.417 -5.602 -3.836 1.0 27.29 ? 46 PHE A CA 1 47 . A ATOM 383 C C . PHE A 1 47 ? 1.606 -6.863 -4.027 1.0 27.43 ? 46 PHE A C 1 47 . A ATOM 384 O O . PHE A 1 47 ? 1.904 -7.857 -3.366 1.0 27.07 ? 46 PHE A O 1 47 . A ATOM 385 C CB . PHE A 1 47 ? 2.215 -5.153 -2.376 1.0 26.89 ? 46 PHE A CB 1 47 . A ATOM 386 C CG . PHE A 1 47 ? 2.942 -3.896 -2.007 1.0 27.64 ? 46 PHE A CG 1 47 . A ATOM 387 C CD1 . PHE A 1 47 ? 4.271 -3.694 -2.384 1.0 27.41 ? 46 PHE A CD1 1 47 . A ATOM 388 C CD2 . PHE A 1 47 ? 2.307 -2.929 -1.245 1.0 27.21 ? 46 PHE A CD2 1 47 . A ATOM 389 C CE1 . PHE A 1 47 ? 4.919 -2.531 -2.042 1.0 28.98 ? 46 PHE A CE1 1 47 . A ATOM 390 C CE2 . PHE A 1 47 ? 2.962 -1.748 -0.893 1.0 28.99 ? 46 PHE A CE2 1 47 . A ATOM 391 C CZ . PHE A 1 47 ? 4.265 -1.555 -1.293 1.0 26.87 ? 46 PHE A CZ 1 47 . A ATOM 392 N N . LYS A 1 48 ? 0.591 -6.842 -4.898 1.0 27.39 ? 47 LYS A N 1 48 . A ATOM 393 C CA A LYS A 1 48 ? -0.309 -7.992 -5.100 0.5 28.01 ? 47 LYS A CA 1 48 . A ATOM 394 C CA B LYS A 1 48 ? -0.293 -8.007 -4.987 0.5 27.91 ? 47 LYS A CA 1 48 . A ATOM 395 C C . LYS A 1 48 ? 0.407 -9.300 -5.427 1.0 27.99 ? 47 LYS A C 1 48 . A ATOM 396 O O . LYS A 1 48 ? -0.104 -10.380 -5.156 1.0 28.18 ? 47 LYS A O 1 48 . A ATOM 397 C CB A LYS A 1 48 ? -1.327 -7.702 -6.206 0.5 28.14 ? 47 LYS A CB 1 48 . A ATOM 398 C CB B LYS A 1 48 ? -1.596 -7.742 -5.766 0.5 27.87 ? 47 LYS A CB 1 48 . A ATOM 399 C CG A LYS A 1 48 ? -2.645 -7.137 -5.721 0.5 28.97 ? 47 LYS A CG 1 48 . A ATOM 400 C CG B LYS A 1 48 ? -1.510 -6.833 -6.981 0.5 28.23 ? 47 LYS A CG 1 48 . A ATOM 401 C CD A LYS A 1 48 ? -3.695 -7.281 -6.807 0.5 30.32 ? 47 LYS A CD 1 48 . A ATOM 402 C CD B LYS A 1 48 ? -2.923 -6.474 -7.432 0.5 28.16 ? 47 LYS A CD 1 48 . A ATOM 403 C CE A LYS A 1 48 ? -4.943 -6.486 -6.485 0.5 29.7 ? 47 LYS A CE 1 48 . A ATOM 404 C CE B LYS A 1 48 ? -2.947 -5.508 -8.599 0.5 29.16 ? 47 LYS A CE 1 48 . A ATOM 405 N NZ A LYS A 1 48 ? -5.868 -6.400 -7.645 0.5 31.09 ? 47 LYS A NZ 1 48 . A ATOM 406 N NZ B LYS A 1 48 ? -4.270 -4.816 -8.709 0.5 29.52 ? 47 LYS A NZ 1 48 . A ATOM 407 N N . HIS A 1 49 ? 1.586 -9.187 -6.042 1.0 27.91 ? 48 HIS A N 1 49 . A ATOM 408 C CA . HIS A 1 49 ? 2.377 -10.358 -6.435 1.0 28.41 ? 48 HIS A CA 1 49 . A ATOM 409 C C . HIS A 1 49 ? 3.057 -11.063 -5.259 1.0 28.95 ? 48 HIS A C 1 49 . A ATOM 410 O O . HIS A 1 49 ? 3.598 -12.159 -5.423 1.0 29.29 ? 48 HIS A O 1 49 . A ATOM 411 C CB . HIS A 1 49 ? 3.412 -10.000 -7.529 1.0 28.21 ? 48 HIS A CB 1 49 . A ATOM 412 C CG . HIS A 1 49 ? 4.481 -9.035 -7.096 1.0 27.63 ? 48 HIS A CG 1 49 . A ATOM 413 N ND1 . HIS A 1 49 ? 4.246 -7.688 -6.918 1.0 28.16 ? 48 HIS A ND1 1 49 . A ATOM 414 C CD2 . HIS A 1 49 ? 5.804 -9.217 -6.856 1.0 25.87 ? 48 HIS A CD2 1 49 . A ATOM 415 C CE1 . HIS A 1 49 ? 5.369 -7.086 -6.562 1.0 27.29 ? 48 HIS A CE1 1 49 . A ATOM 416 N NE2 . HIS A 1 49 ? 6.332 -7.989 -6.523 1.0 25.7 ? 48 HIS A NE2 1 49 . A ATOM 417 N N . LEU A 1 50 ? 3.029 -10.432 -4.084 1.0 28.93 ? 49 LEU A N 1 50 . A ATOM 418 C CA . LEU A 1 50 ? 3.756 -10.923 -2.907 1.0 29.56 ? 49 LEU A CA 1 50 . A ATOM 419 C C . LEU A 1 50 ? 2.878 -11.750 -1.987 1.0 30.81 ? 49 LEU A C 1 50 . A ATOM 420 O O . LEU A 1 50 ? 2.009 -11.216 -1.305 1.0 31.47 ? 49 LEU A O 1 50 . A ATOM 421 C CB . LEU A 1 50 ? 4.341 -9.759 -2.109 1.0 29.03 ? 49 LEU A CB 1 50 . A ATOM 422 C CG . LEU A 1 50 ? 5.315 -8.835 -2.835 1.0 27.18 ? 49 LEU A CG 1 50 . A ATOM 423 C CD1 . LEU A 1 50 ? 5.638 -7.639 -1.956 1.0 25.91 ? 49 LEU A CD1 1 50 . A ATOM 424 C CD2 . LEU A 1 50 ? 6.585 -9.571 -3.242 1.0 25.3 ? 49 LEU A CD2 1 50 . A ATOM 425 N N . LYS A 1 51 ? 3.119 -13.056 -1.952 1.0 32.21 ? 50 LYS A N 1 51 . A ATOM 426 C CA . LYS A 1 51 ? 2.283 -13.942 -1.142 1.0 33.1 ? 50 LYS A CA 1 51 . A ATOM 427 C C . LYS A 1 51 ? 2.990 -14.335 0.159 1.0 33.58 ? 50 LYS A C 1 51 . A ATOM 428 O O . LYS A 1 51 ? 2.415 -14.242 1.252 1.0 33.96 ? 50 LYS A O 1 51 . A ATOM 429 C CB . LYS A 1 51 ? 1.882 -15.199 -1.932 1.0 33.96 ? 50 LYS A CB 1 51 . A ATOM 430 C CG . LYS A 1 51 ? 2.072 -15.123 -3.461 1.0 34.46 ? 50 LYS A CG 1 51 . A ATOM 431 C CD . LYS A 1 51 ? 0.936 -14.389 -4.201 1.0 37.26 ? 50 LYS A CD 1 51 . A ATOM 432 C CE . LYS A 1 51 ? 1.170 -14.440 -5.722 1.0 37.26 ? 50 LYS A CE 1 51 . A ATOM 433 N NZ . LYS A 1 51 ? 0.089 -13.805 -6.540 1.0 37.97 ? 50 LYS A NZ 1 51 . A ATOM 434 N N . THR A 1 52 ? 4.237 -14.785 0.030 1.0 33.09 ? 51 THR A N 1 52 . A ATOM 435 C CA . THR A 1 52 ? 4.959 -15.377 1.142 1.0 31.42 ? 51 THR A CA 1 52 . A ATOM 436 C C . THR A 1 52 ? 5.883 -14.368 1.801 1.0 30.68 ? 51 THR A C 1 52 . A ATOM 437 O O . THR A 1 52 ? 6.237 -13.345 1.201 1.0 30.35 ? 51 THR A O 1 52 . A ATOM 438 C CB . THR A 1 52 ? 5.790 -16.607 0.678 1.0 31.95 ? 51 THR A CB 1 52 . A ATOM 439 O OG1 . THR A 1 52 ? 6.845 -16.183 -0.212 1.0 30.87 ? 51 THR A OG1 1 52 . A ATOM 440 C CG2 . THR A 1 52 ? 4.903 -17.620 -0.025 1.0 32.14 ? 51 THR A CG2 1 52 . A ATOM 441 N N . GLU A 1 53 ? 6.295 -14.670 3.027 1.0 29.4 ? 52 GLU A N 1 53 . A ATOM 442 C CA . GLU A 1 53 ? 7.257 -13.831 3.731 1.0 28.62 ? 52 GLU A CA 1 53 . A ATOM 443 C C . GLU A 1 53 ? 8.594 -13.749 2.996 1.0 27.17 ? 52 GLU A C 1 53 . A ATOM 444 O O . GLU A 1 53 ? 9.263 -12.707 3.036 1.0 26.65 ? 52 GLU A O 1 53 . A ATOM 445 C CB . GLU A 1 53 ? 7.456 -14.317 5.165 1.0 29.01 ? 52 GLU A CB 1 53 . A ATOM 446 C CG . GLU A 1 53 ? 8.452 -13.502 5.968 1.0 31.34 ? 52 GLU A CG 1 53 . A ATOM 447 C CD . GLU A 1 53 ? 8.363 -13.768 7.457 1.0 34.87 ? 52 GLU A CD 1 53 . A ATOM 448 O OE1 . GLU A 1 53 ? 7.885 -14.855 7.856 1.0 36.55 ? 52 GLU A OE1 1 53 . A ATOM 449 O OE2 . GLU A 1 53 ? 8.778 -12.883 8.230 1.0 36.9 ? 52 GLU A OE2 1 53 . A ATOM 450 N N . ALA A 1 54 ? 8.987 -14.846 2.334 1.0 25.79 ? 53 ALA A N 1 54 . A ATOM 451 C CA . ALA A 1 54 ? 10.230 -14.852 1.570 1.0 23.88 ? 53 ALA A CA 1 54 . A ATOM 452 C C . ALA A 1 54 ? 10.175 -13.794 0.483 1.0 22.32 ? 53 ALA A C 1 54 . A ATOM 453 O O . ALA A 1 54 ? 11.116 -13.017 0.321 1.0 22.32 ? 53 ALA A O 1 54 . A ATOM 454 C CB . ALA A 1 54 ? 10.491 -16.216 0.967 1.0 24.33 ? 53 ALA A CB 1 54 . A ATOM 455 N N . GLU A 1 55 ? 9.061 -13.777 -0.249 1.0 21.3 ? 54 GLU A N 1 55 . A ATOM 456 C CA . GLU A 1 55 ? 8.865 -12.864 -1.363 1.0 21.26 ? 54 GLU A CA 1 55 . A ATOM 457 C C . GLU A 1 55 ? 8.879 -11.432 -0.834 1.0 19.97 ? 54 GLU A C 1 55 . A ATOM 458 O O . GLU A 1 55 ? 9.515 -10.552 -1.403 1.0 19.24 ? 54 GLU A O 1 55 . A ATOM 459 C CB . GLU A 1 55 ? 7.561 -13.192 -2.100 1.0 21.82 ? 54 GLU A CB 1 55 . A ATOM 460 C CG . GLU A 1 55 ? 7.641 -14.528 -2.862 1.0 25.87 ? 54 GLU A CG 1 55 . A ATOM 461 C CD . GLU A 1 55 ? 6.286 -15.088 -3.246 1.0 32.11 ? 54 GLU A CD 1 55 . A ATOM 462 O OE1 . GLU A 1 55 ? 5.247 -14.485 -2.893 1.0 32.66 ? 54 GLU A OE1 1 55 . A ATOM 463 O OE2 . GLU A 1 55 ? 6.261 -16.157 -3.906 1.0 35.3 ? 54 GLU A OE2 1 55 . A ATOM 464 N N . MET A 1 56 ? 8.244 -11.224 0.316 1.0 19.3 ? 55 MET A N 1 56 . A ATOM 465 C CA . MET A 1 56 ? 8.243 -9.889 0.906 1.0 18.53 ? 55 MET A CA 1 56 . A ATOM 466 C C . MET A 1 56 ? 9.640 -9.404 1.254 1.0 18.36 ? 55 MET A C 1 56 . A ATOM 467 O O . MET A 1 56 ? 9.994 -8.260 0.954 1.0 17.04 ? 55 MET A O 1 56 . A ATOM 468 C CB . MET A 1 56 ? 7.340 -9.820 2.139 1.0 18.51 ? 55 MET A CB 1 56 . A ATOM 469 C CG . MET A 1 56 ? 5.920 -10.203 1.841 1.0 17.11 ? 55 MET A CG 1 56 . A ATOM 470 S SD . MET A 1 56 ? 4.936 -10.072 3.355 1.0 21.36 ? 55 MET A SD 1 56 . A ATOM 471 C CE . MET A 1 56 ? 3.405 -10.797 2.801 1.0 19.91 ? 55 MET A CE 1 56 . A ATOM 472 N N . LYS A 1 57 ? 10.445 -10.289 1.858 1.0 19.5 ? 56 LYS A N 1 57 . A ATOM 473 C CA . LYS A 1 57 ? 11.780 -9.909 2.314 1.0 21.35 ? 56 LYS A CA 1 57 . A ATOM 474 C C . LYS A 1 57 ? 12.707 -9.515 1.155 1.0 20.8 ? 56 LYS A C 1 57 . A ATOM 475 O O . LYS A 1 57 ? 13.566 -8.650 1.315 1.0 21.65 ? 56 LYS A O 1 57 . A ATOM 476 C CB . LYS A 1 57 ? 12.410 -11.021 3.173 1.0 21.68 ? 56 LYS A CB 1 57 . A ATOM 477 C CG . LYS A 1 57 ? 11.761 -11.194 4.569 1.0 23.83 ? 56 LYS A CG 1 57 . A ATOM 478 C CD . LYS A 1 57 ? 12.543 -12.209 5.419 1.0 24.29 ? 56 LYS A CD 1 57 . A ATOM 479 C CE . LYS A 1 57 ? 12.208 -12.090 6.905 1.0 28.65 ? 56 LYS A CE 1 57 . A ATOM 480 N NZ . LYS A 1 57 ? 12.692 -13.282 7.676 1.0 31.79 ? 56 LYS A NZ 1 57 . A ATOM 481 N N . ALA A 1 58 ? 12.494 -10.127 -0.012 1.0 20.09 ? 57 ALA A N 1 58 . A ATOM 482 C CA . ALA A 1 58 ? 13.318 -9.881 -1.190 1.0 20.76 ? 57 ALA A CA 1 58 . A ATOM 483 C C . ALA A 1 58 ? 12.790 -8.761 -2.096 1.0 20.04 ? 57 ALA A C 1 58 . A ATOM 484 O O . ALA A 1 58 ? 13.428 -8.404 -3.080 1.0 21.21 ? 57 ALA A O 1 58 . A ATOM 485 C CB . ALA A 1 58 ? 13.498 -11.176 -1.988 1.0 21.05 ? 57 ALA A CB 1 58 . A ATOM 486 N N . SER A 1 59 ? 11.640 -8.188 -1.754 1.0 18.7 ? 58 SER A N 1 59 . A ATOM 487 C CA . SER A 1 59 ? 11.001 -7.198 -2.614 1.0 17.6 ? 58 SER A CA 1 59 . A ATOM 488 C C . SER A 1 59 ? 11.574 -5.783 -2.502 1.0 16.94 ? 58 SER A C 1 59 . A ATOM 489 O O . SER A 1 59 ? 11.474 -5.129 -1.450 1.0 16.55 ? 58 SER A O 1 59 . A ATOM 490 C CB . SER A 1 59 ? 9.496 -7.136 -2.316 1.0 16.54 ? 58 SER A CB 1 59 . A ATOM 491 O OG . SER A 1 59 ? 8.898 -6.050 -3.019 1.0 14.85 ? 58 SER A OG 1 59 . A ATOM 492 N N . GLU A 1 60 ? 12.127 -5.286 -3.608 1.0 17.09 ? 59 GLU A N 1 60 . A ATOM 493 C CA . GLU A 1 60 ? 12.585 -3.899 -3.660 1.0 17.45 ? 59 GLU A CA 1 60 . A ATOM 494 C C . GLU A 1 60 ? 11.418 -2.914 -3.549 1.0 16.79 ? 59 GLU A C 1 60 . A ATOM 495 O O . GLU A 1 60 ? 11.544 -1.876 -2.899 1.0 16.11 ? 59 GLU A O 1 60 . A ATOM 496 C CB . GLU A 1 60 ? 13.431 -3.638 -4.916 1.0 19.06 ? 59 GLU A CB 1 60 . A ATOM 497 C CG . GLU A 1 60 ? 14.041 -2.235 -5.030 1.0 24.44 ? 59 GLU A CG 1 60 . A ATOM 498 C CD . GLU A 1 60 ? 15.087 -1.915 -3.948 1.0 31.31 ? 59 GLU A CD 1 60 . A ATOM 499 O OE1 . GLU A 1 60 ? 15.768 -2.850 -3.452 1.0 33.47 ? 59 GLU A OE1 1 60 . A ATOM 500 O OE2 . GLU A 1 60 ? 15.226 -0.715 -3.603 1.0 34.68 ? 59 GLU A OE2 1 60 . A ATOM 501 N N . ASP A 1 61 ? 10.286 -3.248 -4.162 1.0 16.29 ? 60 ASP A N 1 61 . A ATOM 502 C CA . ASP A 1 61 ? 9.085 -2.414 -4.041 1.0 15.36 ? 60 ASP A CA 1 61 . A ATOM 503 C C . ASP A 1 61 ? 8.671 -2.205 -2.573 1.0 14.13 ? 60 ASP A C 1 61 . A ATOM 504 O O . ASP A 1 61 ? 8.343 -1.090 -2.163 1.0 13.05 ? 60 ASP A O 1 61 . A ATOM 505 C CB . ASP A 1 61 ? 7.941 -3.051 -4.806 1.0 15.95 ? 60 ASP A CB 1 61 . A ATOM 506 C CG . ASP A 1 61 ? 7.985 -2.700 -6.275 1.0 20.01 ? 60 ASP A CG 1 61 . A ATOM 507 O OD1 . ASP A 1 61 ? 8.123 -1.499 -6.572 1.0 21.58 ? 60 ASP A OD1 1 61 . A ATOM 508 O OD2 . ASP A 1 61 ? 7.908 -3.627 -7.097 1.0 22.15 ? 60 ASP A OD2 1 61 . A ATOM 509 N N . LEU A 1 62 ? 8.689 -3.282 -1.798 1.0 13.86 ? 61 LEU A N 1 62 . A ATOM 510 C CA . LEU A 1 62 ? 8.235 -3.220 -0.401 1.0 13.75 ? 61 LEU A CA 1 62 . A ATOM 511 C C . LEU A 1 62 ? 9.220 -2.384 0.424 1.0 14.08 ? 61 LEU A C 1 62 . A ATOM 512 O O . LEU A 1 62 ? 8.818 -1.522 1.209 1.0 13.03 ? 61 LEU A O 1 62 . A ATOM 513 C CB . LEU A 1 62 ? 8.017 -4.631 0.143 1.0 14.23 ? 61 LEU A CB 1 62 . A ATOM 514 C CG . LEU A 1 62 ? 7.436 -4.818 1.540 1.0 15.25 ? 61 LEU A CG 1 62 . A ATOM 515 C CD1 . LEU A 1 62 ? 6.665 -6.130 1.630 1.0 16.4 ? 61 LEU A CD1 1 62 . A ATOM 516 C CD2 . LEU A 1 62 ? 8.551 -4.749 2.592 1.0 17.42 ? 61 LEU A CD2 1 62 . A ATOM 517 N N . LYS A 1 63 ? 10.515 -2.607 0.200 1.0 13.52 ? 62 LYS A N 1 63 . A ATOM 518 C CA . LYS A 1 63 ? 11.535 -1.824 0.867 1.0 14.23 ? 62 LYS A CA 1 63 . A ATOM 519 C C . LYS A 1 63 ? 11.421 -0.324 0.492 1.0 13.78 ? 62 LYS A C 1 63 . A ATOM 520 O O . LYS A 1 63 ? 11.395 0.550 1.368 1.0 13.77 ? 62 LYS A O 1 63 . A ATOM 521 C CB . LYS A 1 63 ? 12.915 -2.389 0.512 1.0 15.33 ? 62 LYS A CB 1 63 . A ATOM 522 C CG . LYS A 1 63 ? 14.039 -1.576 1.114 1.0 18.45 ? 62 LYS A CG 1 63 . A ATOM 523 C CD . LYS A 1 63 ? 15.374 -2.028 0.535 1.0 23.5 ? 62 LYS A CD 1 63 . A ATOM 524 C CE . LYS A 1 63 ? 15.493 -3.533 0.584 1.0 28.06 ? 62 LYS A CE 1 63 . A ATOM 525 N NZ . LYS A 1 63 ? 16.727 -4.004 -0.126 1.0 33.11 ? 62 LYS A NZ 1 63 . A ATOM 526 N N . LYS A 1 64 ? 11.293 -0.040 -0.804 1.0 14.07 ? 63 LYS A N 1 64 . A ATOM 527 C CA . LYS A 1 64 ? 11.129 1.334 -1.247 1.0 15.94 ? 63 LYS A CA 1 64 . A ATOM 528 C C . LYS A 1 64 ? 9.901 1.960 -0.593 1.0 14.89 ? 63 LYS A C 1 64 . A ATOM 529 O O . LYS A 1 64 ? 9.958 3.093 -0.089 1.0 15.44 ? 63 LYS A O 1 64 . A ATOM 530 C CB . LYS A 1 64 ? 11.027 1.434 -2.777 1.0 16.8 ? 63 LYS A CB 1 64 . A ATOM 531 C CG . LYS A 1 64 ? 12.382 1.413 -3.458 1.0 19.73 ? 63 LYS A CG 1 64 . A ATOM 532 C CD . LYS A 1 64 ? 12.245 1.568 -4.982 1.0 20.73 ? 63 LYS A CD 1 64 . A ATOM 533 C CE . LYS A 1 64 ? 11.797 2.952 -5.422 1.0 27.88 ? 63 LYS A CE 1 64 . A ATOM 534 N NZ . LYS A 1 64 ? 10.363 2.971 -5.899 1.0 31.77 ? 63 LYS A NZ 1 64 . A ATOM 535 N N . HIS A 1 65 ? 8.804 1.222 -0.586 1.0 13.72 ? 64 HIS A N 1 65 . A ATOM 536 C CA . HIS A 1 65 ? 7.573 1.817 -0.079 1.0 13.71 ? 64 HIS A CA 1 65 . A ATOM 537 C C . HIS A 1 65 ? 7.653 2.056 1.420 1.0 13.42 ? 64 HIS A C 1 65 . A ATOM 538 O O . HIS A 1 65 ? 7.085 3.032 1.937 1.0 12.69 ? 64 HIS A O 1 65 . A ATOM 539 C CB . HIS A 1 65 ? 6.335 1.002 -0.394 1.0 14.81 ? 64 HIS A CB 1 65 . A ATOM 540 C CG . HIS A 1 65 ? 5.084 1.816 -0.312 1.0 15.66 ? 64 HIS A CG 1 65 . A ATOM 541 N ND1 . HIS A 1 65 ? 4.837 2.855 -1.181 1.0 19.93 ? 64 HIS A ND1 1 65 . A ATOM 542 C CD2 . HIS A 1 65 ? 4.033 1.787 0.548 1.0 18.02 ? 64 HIS A CD2 1 65 . A ATOM 543 C CE1 . HIS A 1 65 ? 3.684 3.422 -0.880 1.0 20.96 ? 64 HIS A CE1 1 65 . A ATOM 544 N NE2 . HIS A 1 65 ? 3.176 2.797 0.167 1.0 17.55 ? 64 HIS A NE2 1 65 . A ATOM 545 N N . GLY A 1 66 ? 8.350 1.162 2.115 1.0 12.89 ? 65 GLY A N 1 66 . A ATOM 546 C CA . GLY A 1 66 ? 8.536 1.317 3.574 1.0 12.44 ? 65 GLY A CA 1 66 . A ATOM 547 C C . GLY A 1 66 ? 9.227 2.636 3.872 1.0 12.25 ? 65 GLY A C 1 66 . A ATOM 548 O O . GLY A 1 66 ? 8.827 3.394 4.765 1.0 12.72 ? 65 GLY A O 1 66 . A ATOM 549 N N . VAL A 1 67 ? 10.260 2.924 3.094 1.0 11.9 ? 66 VAL A N 1 67 . A ATOM 550 C CA . VAL A 1 67 ? 10.989 4.178 3.247 1.0 12.03 ? 66 VAL A CA 1 67 . A ATOM 551 C C . VAL A 1 67 ? 10.069 5.401 2.955 1.0 12.62 ? 66 VAL A C 1 67 . A ATOM 552 O O . VAL A 1 67 ? 10.085 6.378 3.701 1.0 12.92 ? 66 VAL A O 1 67 . A ATOM 553 C CB . VAL A 1 67 ? 12.235 4.201 2.359 1.0 12.85 ? 66 VAL A CB 1 67 . A ATOM 554 C CG1 . VAL A 1 67 ? 12.839 5.612 2.341 1.0 13.81 ? 66 VAL A CG1 1 67 . A ATOM 555 C CG2 . VAL A 1 67 ? 13.239 3.099 2.754 1.0 13.4 ? 66 VAL A CG2 1 67 . A ATOM 556 N N . THR A 1 68 ? 9.270 5.330 1.902 1.0 12.67 ? 67 THR A N 1 68 . A ATOM 557 C CA . THR A 1 68 ? 8.332 6.404 1.573 1.0 14.39 ? 67 THR A CA 1 68 . A ATOM 558 C C . THR A 1 68 ? 7.326 6.640 2.704 1.0 13.94 ? 67 THR A C 1 68 . A ATOM 559 O O . THR A 1 68 ? 7.073 7.790 3.111 1.0 14.49 ? 67 THR A O 1 68 . A ATOM 560 C CB . THR A 1 68 ? 7.609 6.070 0.282 1.0 15.33 ? 67 THR A CB 1 68 . A ATOM 561 O OG1 . THR A 1 68 ? 8.582 6.039 -0.780 1.0 16.46 ? 67 THR A OG1 1 68 . A ATOM 562 C CG2 . THR A 1 68 ? 6.559 7.119 -0.037 1.0 17.69 ? 67 THR A CG2 1 68 . A ATOM 563 N N . VAL A 1 69 ? 6.758 5.555 3.216 1.0 13.83 ? 68 VAL A N 1 69 . A ATOM 564 C CA . VAL A 1 69 ? 5.756 5.679 4.272 1.0 14.48 ? 68 VAL A CA 1 69 . A ATOM 565 C C . VAL A 1 69 ? 6.364 6.307 5.527 1.0 14.71 ? 68 VAL A C 1 69 . A ATOM 566 O O . VAL A 1 69 ? 5.792 7.240 6.089 1.0 14.76 ? 68 VAL A O 1 69 . A ATOM 567 C CB . VAL A 1 69 ? 5.081 4.332 4.608 1.0 14.73 ? 68 VAL A CB 1 69 . A ATOM 568 C CG1 . VAL A 1 69 ? 4.208 4.460 5.891 1.0 16.67 ? 68 VAL A CG1 1 69 . A ATOM 569 C CG2 . VAL A 1 69 ? 4.238 3.838 3.432 1.0 15.55 ? 68 VAL A CG2 1 69 . A ATOM 570 N N . LEU A 1 70 ? 7.516 5.799 5.971 1.0 13.97 ? 69 LEU A N 1 70 . A ATOM 571 C CA . LEU A 1 70 ? 8.132 6.300 7.185 1.0 14.89 ? 69 LEU A CA 1 70 . A ATOM 572 C C . LEU A 1 70 ? 8.606 7.739 7.034 1.0 14.81 ? 69 LEU A C 1 70 . A ATOM 573 O O . LEU A 1 70 ? 8.570 8.512 7.986 1.0 15.17 ? 69 LEU A O 1 70 . A ATOM 574 C CB . LEU A 1 70 ? 9.252 5.385 7.666 1.0 13.88 ? 69 LEU A CB 1 70 . A ATOM 575 C CG . LEU A 1 70 ? 8.844 3.962 8.081 1.0 13.42 ? 69 LEU A CG 1 70 . A ATOM 576 C CD1 . LEU A 1 70 ? 10.096 3.153 8.519 1.0 14.23 ? 69 LEU A CD1 1 70 . A ATOM 577 C CD2 . LEU A 1 70 ? 7.796 3.978 9.217 1.0 12.74 ? 69 LEU A CD2 1 70 . A ATOM 578 N N . THR A 1 71 ? 9.016 8.101 5.822 1.0 14.18 ? 70 THR A N 1 71 . A ATOM 579 C CA . THR A 1 71 ? 9.488 9.459 5.584 1.0 15.0 ? 70 THR A CA 1 71 . A ATOM 580 C C . THR A 1 71 ? 8.289 10.424 5.698 1.0 15.68 ? 70 THR A C 1 71 . A ATOM 581 O O . THR A 1 71 ? 8.396 11.473 6.338 1.0 17.29 ? 70 THR A O 1 71 . A ATOM 582 C CB . THR A 1 71 ? 10.189 9.563 4.220 1.0 14.77 ? 70 THR A CB 1 71 . A ATOM 583 O OG1 . THR A 1 71 ? 11.337 8.700 4.222 1.0 14.67 ? 70 THR A OG1 1 71 . A ATOM 584 C CG2 . THR A 1 71 ? 10.692 11.000 3.973 1.0 15.39 ? 70 THR A CG2 1 71 . A ATOM 585 N N . ALA A 1 72 ? 7.181 10.079 5.048 1.0 15.38 ? 71 ALA A N 1 72 . A ATOM 586 C CA . ALA A 1 72 ? 5.940 10.873 5.124 1.0 15.63 ? 71 ALA A CA 1 72 . A ATOM 587 C C . ALA A 1 72 ? 5.470 10.985 6.576 1.0 16.55 ? 71 ALA A C 1 72 . A ATOM 588 O O . ALA A 1 72 ? 5.149 12.082 7.065 1.0 17.83 ? 71 ALA A O 1 72 . A ATOM 589 C CB . ALA A 1 72 ? 4.866 10.254 4.281 1.0 16.7 ? 71 ALA A CB 1 72 . A ATOM 590 N N . LEU A 1 73 ? 5.442 9.853 7.277 1.0 15.75 ? 72 LEU A N 1 73 . A ATOM 591 C CA . LEU A 1 73 ? 5.041 9.855 8.684 1.0 15.42 ? 72 LEU A CA 1 73 . A ATOM 592 C C . LEU A 1 73 ? 5.977 10.696 9.567 1.0 16.32 ? 72 LEU A C 1 73 . A ATOM 593 O O . LEU A 1 73 ? 5.525 11.452 10.448 1.0 15.54 ? 72 LEU A O 1 73 . A ATOM 594 C CB . LEU A 1 73 ? 4.964 8.416 9.194 1.0 15.12 ? 72 LEU A CB 1 73 . A ATOM 595 C CG . LEU A 1 73 ? 4.668 8.252 10.680 1.0 15.22 ? 72 LEU A CG 1 73 . A ATOM 596 C CD1 . LEU A 1 73 ? 3.321 8.935 11.007 1.0 14.51 ? 72 LEU A CD1 1 73 . A ATOM 597 C CD2 . LEU A 1 73 ? 4.636 6.738 11.027 1.0 14.57 ? 72 LEU A CD2 1 73 . A ATOM 598 N N . GLY A 1 74 ? 7.287 10.545 9.363 1.0 16.2 ? 73 GLY A N 1 74 . A ATOM 599 C CA . GLY A 1 74 ? 8.285 11.274 10.117 1.0 17.73 ? 73 GLY A CA 1 74 . A ATOM 600 C C . GLY A 1 74 ? 8.108 12.776 10.013 1.0 18.04 ? 73 GLY A C 1 74 . A ATOM 601 O O . GLY A 1 74 ? 8.231 13.493 11.003 1.0 17.8 ? 73 GLY A O 1 74 . A ATOM 602 N N . ALA A 1 75 ? 7.814 13.253 8.801 1.0 18.37 ? 74 ALA A N 1 75 . A ATOM 603 C CA . ALA A 1 75 ? 7.653 14.685 8.574 1.0 19.24 ? 74 ALA A CA 1 75 . A ATOM 604 C C . ALA A 1 75 ? 6.495 15.220 9.415 1.0 19.46 ? 74 ALA A C 1 75 . A ATOM 605 O O . ALA A 1 75 ? 6.591 16.320 9.963 1.0 20.56 ? 74 ALA A O 1 75 . A ATOM 606 C CB . ALA A 1 75 ? 7.428 14.973 7.093 1.0 18.79 ? 74 ALA A CB 1 75 . A ATOM 607 N N . ILE A 1 76 ? 5.424 14.438 9.516 1.0 19.48 ? 75 ILE A N 1 76 . A ATOM 608 C CA . ILE A 1 76 ? 4.283 14.794 10.372 1.0 20.68 ? 75 ILE A CA 1 76 . A ATOM 609 C C . ILE A 1 76 ? 4.704 14.764 11.859 1.0 20.49 ? 75 ILE A C 1 76 . A ATOM 610 O O . ILE A 1 76 ? 4.511 15.745 12.607 1.0 20.76 ? 75 ILE A O 1 76 . A ATOM 611 C CB . ILE A 1 76 ? 3.030 13.911 10.043 1.0 19.87 ? 75 ILE A CB 1 76 . A ATOM 612 C CG1 . ILE A 1 76 ? 2.587 14.153 8.583 1.0 22.07 ? 75 ILE A CG1 1 76 . A ATOM 613 C CG2 . ILE A 1 76 ? 1.892 14.160 11.054 1.0 22.44 ? 75 ILE A CG2 1 76 . A ATOM 614 C CD1 . ILE A 1 76 ? 1.794 12.984 7.912 1.0 22.71 ? 75 ILE A CD1 1 76 . A ATOM 615 N N . LEU A 1 77 ? 5.301 13.656 12.294 1.0 19.57 ? 76 LEU A N 1 77 . A ATOM 616 C CA . LEU A 1 77 ? 5.691 13.520 13.705 1.0 19.1 ? 76 LEU A CA 1 77 . A ATOM 617 C C . LEU A 1 77 ? 6.556 14.677 14.201 1.0 20.17 ? 76 LEU A C 1 77 . A ATOM 618 O O . LEU A 1 77 ? 6.408 15.147 15.336 1.0 19.63 ? 76 LEU A O 1 77 . A ATOM 619 C CB . LEU A 1 77 ? 6.426 12.190 13.945 1.0 18.84 ? 76 LEU A CB 1 77 . A ATOM 620 C CG . LEU A 1 77 ? 5.566 10.938 13.833 1.0 18.61 ? 76 LEU A CG 1 77 . A ATOM 621 C CD1 . LEU A 1 77 ? 6.458 9.687 13.933 1.0 18.3 ? 76 LEU A CD1 1 77 . A ATOM 622 C CD2 . LEU A 1 77 ? 4.476 10.947 14.936 1.0 17.0 ? 76 LEU A CD2 1 77 . A ATOM 623 N N . LYS A 1 78 ? 7.455 15.154 13.346 1.0 20.06 ? 77 LYS A N 1 78 . A ATOM 624 C CA . LYS A 1 78 ? 8.394 16.191 13.772 1.0 21.2 ? 77 LYS A CA 1 78 . A ATOM 625 C C . LYS A 1 78 ? 7.726 17.562 13.957 1.0 20.92 ? 77 LYS A C 1 78 . A ATOM 626 O O . LYS A 1 78 ? 8.323 18.468 14.530 1.0 22.41 ? 77 LYS A O 1 78 . A ATOM 627 C CB . LYS A 1 78 ? 9.550 16.288 12.798 1.0 21.0 ? 77 LYS A CB 1 78 . A ATOM 628 C CG . LYS A 1 78 ? 10.470 15.109 12.863 1.0 22.41 ? 77 LYS A CG 1 78 . A ATOM 629 C CD . LYS A 1 78 ? 11.464 15.160 11.740 1.0 23.69 ? 77 LYS A CD 1 78 . A ATOM 630 C CE . LYS A 1 78 ? 12.330 13.925 11.788 1.0 23.78 ? 77 LYS A CE 1 78 . A ATOM 631 N NZ . LYS A 1 78 ? 13.404 13.975 10.773 1.0 24.99 ? 77 LYS A NZ 1 78 . A ATOM 632 N N . LYS A 1 79 ? 6.497 17.701 13.486 1.0 20.99 ? 78 LYS A N 1 79 . A ATOM 633 C CA . LYS A 1 79 ? 5.721 18.938 13.719 1.0 21.87 ? 78 LYS A CA 1 79 . A ATOM 634 C C . LYS A 1 79 ? 5.149 19.008 15.135 1.0 21.88 ? 78 LYS A C 1 79 . A ATOM 635 O O . LYS A 1 79 ? 4.628 20.053 15.554 1.0 21.84 ? 78 LYS A O 1 79 . A ATOM 636 C CB . LYS A 1 79 ? 4.613 19.081 12.682 1.0 21.95 ? 78 LYS A CB 1 79 . A ATOM 637 C CG . LYS A 1 79 ? 5.171 19.407 11.295 1.0 25.28 ? 78 LYS A CG 1 79 . A ATOM 638 C CD . LYS A 1 79 ? 6.186 20.560 11.388 1.0 28.6 ? 78 LYS A CD 1 79 . A ATOM 639 C CE . LYS A 1 79 ? 7.026 20.703 10.131 1.0 32.36 ? 78 LYS A CE 1 79 . A ATOM 640 N NZ . LYS A 1 79 ? 7.665 22.049 10.047 1.0 33.22 ? 78 LYS A NZ 1 79 . A ATOM 641 N N . LYS A 1 80 ? 5.226 17.886 15.858 1.0 21.86 ? 79 LYS A N 1 80 . A ATOM 642 C CA . LYS A 1 80 ? 4.787 17.837 17.266 1.0 21.94 ? 79 LYS A CA 1 80 . A ATOM 643 C C . LYS A 1 80 ? 3.325 18.288 17.462 1.0 23.06 ? 79 LYS A C 1 80 . A ATOM 644 O O . LYS A 1 80 ? 2.997 19.010 18.411 1.0 22.36 ? 79 LYS A O 1 80 . A ATOM 645 C CB . LYS A 1 80 ? 5.753 18.622 18.163 1.0 21.91 ? 79 LYS A CB 1 80 . A ATOM 646 C CG . LYS A 1 80 ? 7.187 18.096 18.144 1.0 21.72 ? 79 LYS A CG 1 80 . A ATOM 647 C CD . LYS A 1 80 ? 7.975 18.551 19.366 1.0 26.57 ? 79 LYS A CD 1 80 . A ATOM 648 C CE . LYS A 1 80 ? 8.316 20.018 19.323 1.0 28.94 ? 79 LYS A CE 1 80 . A ATOM 649 N NZ . LYS A 1 80 ? 9.109 20.422 20.525 1.0 30.15 ? 79 LYS A NZ 1 80 . A ATOM 650 N N . GLY A 1 81 ? 2.450 17.832 16.566 1.0 23.91 ? 80 GLY A N 1 81 . A ATOM 651 C CA . GLY A 1 81 ? 1.025 18.150 16.650 1.0 26.7 ? 80 GLY A CA 1 81 . A ATOM 652 C C . GLY A 1 81 ? 0.592 19.461 16.007 1.0 28.21 ? 80 GLY A C 1 81 . A ATOM 653 O O . GLY A 1 81 ? -0.606 19.678 15.808 1.0 28.98 ? 80 GLY A O 1 81 . A ATOM 654 N N . HIS A 1 82 ? 1.544 20.342 15.697 1.0 29.33 ? 81 HIS A N 1 82 . A ATOM 655 C CA . HIS A 1 82 ? 1.228 21.617 15.033 1.0 30.61 ? 81 HIS A CA 1 82 . A ATOM 656 C C . HIS A 1 82 ? 0.934 21.419 13.545 1.0 30.81 ? 81 HIS A C 1 82 . A ATOM 657 O O . HIS A 1 82 ? 1.477 20.507 12.912 1.0 31.74 ? 81 HIS A O 1 82 . A ATOM 658 C CB . HIS A 1 82 ? 2.380 22.605 15.201 1.0 31.37 ? 81 HIS A CB 1 82 . A ATOM 659 C CG . HIS A 1 82 ? 2.656 22.967 16.626 1.0 33.94 ? 81 HIS A CG 1 82 . A ATOM 660 N ND1 . HIS A 1 82 ? 3.555 22.274 17.409 1.0 36.35 ? 81 HIS A ND1 1 82 . A ATOM 661 C CD2 . HIS A 1 82 ? 2.148 23.947 17.412 1.0 36.8 ? 81 HIS A CD2 1 82 . A ATOM 662 C CE1 . HIS A 1 82 ? 3.593 22.816 18.614 1.0 37.5 ? 81 HIS A CE1 1 82 . A ATOM 663 N NE2 . HIS A 1 82 ? 2.741 23.825 18.646 1.0 37.94 ? 81 HIS A NE2 1 82 . A ATOM 664 N N . HIS A 1 83 ? 0.090 22.277 12.983 0.5 30.3 ? 82 HIS A N 1 83 . A ATOM 665 C CA . HIS A 1 83 ? -0.293 22.133 11.584 0.5 29.57 ? 82 HIS A CA 1 83 . A ATOM 666 C C . HIS A 1 83 ? 0.263 23.224 10.690 0.5 29.01 ? 82 HIS A C 1 83 . A ATOM 667 O O . HIS A 1 83 ? 0.130 24.413 10.986 0.5 29.12 ? 82 HIS A O 1 83 . A ATOM 668 C CB . HIS A 1 83 ? -1.808 22.031 11.457 0.5 29.91 ? 82 HIS A CB 1 83 . A ATOM 669 C CG . HIS A 1 83 ? -2.367 20.799 12.091 0.5 30.31 ? 82 HIS A CG 1 83 . A ATOM 670 N ND1 . HIS A 1 83 ? -2.918 20.799 13.354 0.5 30.26 ? 82 HIS A ND1 1 83 . A ATOM 671 C CD2 . HIS A 1 83 ? -2.421 19.519 11.654 0.5 30.56 ? 82 HIS A CD2 1 83 . A ATOM 672 C CE1 . HIS A 1 83 ? -3.306 19.574 13.660 0.5 30.77 ? 82 HIS A CE1 1 83 . A ATOM 673 N NE2 . HIS A 1 83 ? -3.013 18.778 12.647 0.5 31.21 ? 82 HIS A NE2 1 83 . A ATOM 674 N N . GLU A 1 84 ? 0.884 22.810 9.589 0.5 27.9 ? 83 GLU A N 1 84 . A ATOM 675 C CA . GLU A 1 84 ? 1.469 23.743 8.640 0.5 27.05 ? 83 GLU A CA 1 84 . A ATOM 676 C C . GLU A 1 84 ? 0.870 23.542 7.247 0.5 26.22 ? 83 GLU A C 1 84 . A ATOM 677 O O . GLU A 1 84 ? 0.728 22.415 6.777 0.5 25.08 ? 83 GLU A O 1 84 . A ATOM 678 C CB . GLU A 1 84 ? 2.988 23.577 8.601 0.5 27.16 ? 83 GLU A CB 1 84 . A ATOM 679 C CG . GLU A 1 84 ? 3.760 24.891 8.650 0.5 27.68 ? 83 GLU A CG 1 84 . A ATOM 680 C CD . GLU A 1 84 ? 4.198 25.397 7.289 0.5 29.37 ? 83 GLU A CD 1 84 . A ATOM 681 O OE1 . GLU A 1 84 ? 3.362 25.446 6.361 0.5 28.68 ? 83 GLU A OE1 1 84 . A ATOM 682 O OE2 . GLU A 1 84 ? 5.390 25.766 7.155 0.5 30.22 ? 83 GLU A OE2 1 84 . A ATOM 683 N N . ALA A 1 85 ? 0.521 24.646 6.593 0.5 25.7 ? 84 ALA A N 1 85 . A ATOM 684 C CA . ALA A 1 85 ? -0.124 24.597 5.278 0.5 25.52 ? 84 ALA A CA 1 85 . A ATOM 685 C C . ALA A 1 85 ? 0.653 23.751 4.267 0.5 25.54 ? 84 ALA A C 1 85 . A ATOM 686 O O . ALA A 1 85 ? 0.064 23.098 3.408 0.5 25.33 ? 84 ALA A O 1 85 . A ATOM 687 C CB . ALA A 1 85 ? -0.316 26.004 4.739 0.5 25.73 ? 84 ALA A CB 1 85 . A ATOM 688 N N . GLU A 1 86 ? 1.976 23.778 4.392 1.0 25.91 ? 85 GLU A N 1 86 . A ATOM 689 C CA . GLU A 1 86 ? 2.904 23.130 3.456 1.0 26.7 ? 85 GLU A CA 1 86 . A ATOM 690 C C . GLU A 1 86 ? 2.847 21.599 3.502 1.0 25.41 ? 85 GLU A C 1 86 . A ATOM 691 O O . GLU A 1 86 ? 3.310 20.931 2.563 1.0 25.19 ? 85 GLU A O 1 86 . A ATOM 692 C CB . GLU A 1 86 ? 4.345 23.593 3.727 1.0 26.7 ? 85 GLU A CB 1 86 . A ATOM 693 C CG . GLU A 1 86 ? 4.959 23.027 5.028 1.0 28.88 ? 85 GLU A CG 1 86 . A ATOM 694 C CD . GLU A 1 86 ? 6.373 23.504 5.317 1.0 28.88 ? 85 GLU A CD 1 86 . A ATOM 695 O OE1 . GLU A 1 86 ? 7.192 22.674 5.784 0.5 30.14 ? 85 GLU A OE1 1 86 . A ATOM 696 O OE2 . GLU A 1 86 ? 6.672 24.700 5.092 0.5 30.33 ? 85 GLU A OE2 1 86 . A ATOM 697 N N . LEU A 1 87 ? 2.319 21.063 4.605 1.0 24.4 ? 86 LEU A N 1 87 . A ATOM 698 C CA . LEU A 1 87 ? 2.127 19.619 4.781 1.0 23.11 ? 86 LEU A CA 1 87 . A ATOM 699 C C . LEU A 1 87 ? 0.654 19.244 4.595 1.0 22.23 ? 86 LEU A C 1 87 . A ATOM 700 O O . LEU A 1 87 ? 0.251 18.105 4.856 1.0 22.38 ? 86 LEU A O 1 87 . A ATOM 701 C CB . LEU A 1 87 ? 2.636 19.157 6.158 1.0 23.6 ? 86 LEU A CB 1 87 . A ATOM 702 C CG . LEU A 1 87 ? 4.142 19.023 6.444 1.0 24.35 ? 86 LEU A CG 1 87 . A ATOM 703 C CD1 . LEU A 1 87 ? 4.392 18.476 7.848 1.0 24.1 ? 86 LEU A CD1 1 87 . A ATOM 704 C CD2 . LEU A 1 87 ? 4.803 18.116 5.435 1.0 25.51 ? 86 LEU A CD2 1 87 . A ATOM 705 N N . LYS A 1 88 ? -0.160 20.183 4.121 1.0 21.56 ? 87 LYS A N 1 88 . A ATOM 706 C CA . LYS A 1 88 ? -1.554 19.836 3.899 1.0 20.87 ? 87 LYS A CA 1 88 . A ATOM 707 C C . LYS A 1 88 ? -1.801 18.713 2.885 1.0 19.41 ? 87 LYS A C 1 88 . A ATOM 708 O O . LYS A 1 88 ? -2.723 17.910 3.078 1.0 19.68 ? 87 LYS A O 1 88 . A ATOM 709 C CB . LYS A 1 88 ? -2.402 21.057 3.573 1.0 21.89 ? 87 LYS A CB 1 88 . A ATOM 710 C CG . LYS A 1 88 ? -3.040 21.646 4.806 1.0 23.1 ? 87 LYS A CG 1 88 . A ATOM 711 C CD . LYS A 1 88 ? -3.927 22.798 4.432 1.0 26.86 ? 87 LYS A CD 1 88 . A ATOM 712 C CE . LYS A 1 88 ? -5.332 22.333 4.105 1.0 28.05 ? 87 LYS A CE 1 88 . A ATOM 713 N NZ . LYS A 1 88 ? -6.200 23.520 3.921 1.0 29.35 ? 87 LYS A NZ 1 88 . A ATOM 714 N N . PRO A 1 89 ? -1.013 18.645 1.794 1.0 17.67 ? 88 PRO A N 1 89 . A ATOM 715 C CA . PRO A 1 89 ? -1.379 17.597 0.851 1.0 17.26 ? 88 PRO A CA 1 89 . A ATOM 716 C C . PRO A 1 89 ? -1.274 16.181 1.396 1.0 16.76 ? 88 PRO A C 1 89 . A ATOM 717 O O . PRO A 1 89 ? -0.489 15.889 2.328 1.0 17.52 ? 88 PRO A O 1 89 . A ATOM 718 C CB . PRO A 1 89 ? -0.370 17.769 -0.294 1.0 15.95 ? 88 PRO A CB 1 89 . A ATOM 719 C CG . PRO A 1 89 ? 0.114 19.155 -0.157 1.0 17.88 ? 88 PRO A CG 1 89 . A ATOM 720 C CD . PRO A 1 89 ? 0.123 19.441 1.302 1.0 17.45 ? 88 PRO A CD 1 89 . A ATOM 721 N N . LEU A 1 90 ? -2.068 15.304 0.801 1.0 16.06 ? 89 LEU A N 1 90 . A ATOM 722 C CA A LEU A 1 90 ? -2.030 13.870 1.079 0.5 15.66 ? 89 LEU A CA 1 90 . A ATOM 723 C CA B LEU A 1 90 ? -1.937 13.903 1.149 0.5 16.37 ? 89 LEU A CA 1 90 . A ATOM 724 C C . LEU A 1 90 ? -0.947 13.195 0.243 1.0 16.02 ? 89 LEU A C 1 90 . A ATOM 725 O O . LEU A 1 90 ? -1.050 13.199 -1.004 1.0 16.65 ? 89 LEU A O 1 90 . A ATOM 726 C CB A LEU A 1 90 ? -3.392 13.241 0.726 0.5 15.49 ? 89 LEU A CB 1 90 . A ATOM 727 C CB B LEU A 1 90 ? -3.281 13.175 1.259 0.5 17.49 ? 89 LEU A CB 1 90 . A ATOM 728 C CG A LEU A 1 90 ? -3.580 11.746 0.999 0.5 14.77 ? 89 LEU A CG 1 90 . A ATOM 729 C CG B LEU A 1 90 ? -4.462 13.380 0.331 0.5 18.3 ? 89 LEU A CG 1 90 . A ATOM 730 C CD1 A LEU A 1 90 ? -3.593 11.466 2.509 0.5 13.9 ? 89 LEU A CD1 1 90 . A ATOM 731 C CD1 B LEU A 1 90 ? -4.470 12.297 -0.714 0.5 19.35 ? 89 LEU A CD1 1 90 . A ATOM 732 C CD2 A LEU A 1 90 ? -4.864 11.241 0.354 0.5 15.99 ? 89 LEU A CD2 1 90 . A ATOM 733 C CD2 B LEU A 1 90 ? -5.717 13.259 1.161 0.5 18.32 ? 89 LEU A CD2 1 90 . A ATOM 734 N N . ALA A 1 91 ? 0.046 12.601 0.895 1.0 15.55 ? 90 ALA A N 1 91 . A ATOM 735 C CA . ALA A 1 91 ? 1.031 11.767 0.188 1.0 15.79 ? 90 ALA A CA 1 91 . A ATOM 736 C C . ALA A 1 91 ? 0.353 10.731 -0.707 1.0 17.07 ? 90 ALA A C 1 91 . A ATOM 737 O O . ALA A 1 91 ? -0.691 10.144 -0.356 1.0 16.68 ? 90 ALA A O 1 91 . A ATOM 738 C CB . ALA A 1 91 ? 1.959 11.081 1.185 1.0 16.18 ? 90 ALA A CB 1 91 . A ATOM 739 N N . GLN A 1 92 ? 0.935 10.507 -1.876 1.0 17.72 ? 91 GLN A N 1 92 . A ATOM 740 C CA . GLN A 1 92 ? 0.341 9.607 -2.865 1.0 19.5 ? 91 GLN A CA 1 92 . A ATOM 741 C C . GLN A 1 92 ? 1.445 8.978 -3.671 1.0 19.76 ? 91 GLN A C 1 92 . A ATOM 742 O O . GLN A 1 92 ? 2.307 9.688 -4.188 1.0 19.76 ? 91 GLN A O 1 92 . A ATOM 743 C CB . GLN A 1 92 ? -0.554 10.405 -3.810 1.0 20.09 ? 91 GLN A CB 1 92 . A ATOM 744 C CG . GLN A 1 92 ? -1.209 9.567 -4.904 1.0 22.8 ? 91 GLN A CG 1 92 . A ATOM 745 C CD . GLN A 1 92 ? -2.040 10.409 -5.876 1.0 23.45 ? 91 GLN A CD 1 92 . A ATOM 746 O OE1 . GLN A 1 92 ? -2.210 10.040 -7.042 1.0 30.49 ? 91 GLN A OE1 1 92 . A ATOM 747 N NE2 . GLN A 1 92 ? -2.556 11.551 -5.398 1.0 26.28 ? 91 GLN A NE2 1 92 . A ATOM 748 N N . SER A 1 93 ? 1.399 7.655 -3.796 1.0 20.18 ? 92 SER A N 1 93 . A ATOM 749 C CA . SER A 1 93 ? 2.406 6.965 -4.579 1.0 21.18 ? 92 SER A CA 1 93 . A ATOM 750 C C . SER A 1 93 ? 1.755 6.112 -5.654 1.0 22.05 ? 92 SER A C 1 93 . A ATOM 751 O O . SER A 1 93 ? 0.533 5.897 -5.627 1.0 22.67 ? 92 SER A O 1 93 . A ATOM 752 C CB . SER A 1 93 ? 3.276 6.123 -3.663 1.0 21.79 ? 92 SER A CB 1 93 . A ATOM 753 O OG . SER A 1 93 ? 2.810 4.807 -3.609 1.0 22.83 ? 92 SER A OG 1 93 . A ATOM 754 N N . HIS A 1 94 ? 2.573 5.614 -6.576 1.0 22.27 ? 93 HIS A N 1 94 . A ATOM 755 C CA . HIS A 1 94 ? 2.103 4.673 -7.603 1.0 23.05 ? 93 HIS A CA 1 94 . A ATOM 756 C C . HIS A 1 94 ? 1.883 3.245 -7.081 1.0 22.75 ? 93 HIS A C 1 94 . A ATOM 757 O O . HIS A 1 94 ? 1.355 2.378 -7.814 1.0 23.26 ? 93 HIS A O 1 94 . A ATOM 758 C CB . HIS A 1 94 ? 3.070 4.642 -8.795 1.0 23.65 ? 93 HIS A CB 1 94 . A ATOM 759 C CG . HIS A 1 94 ? 3.087 5.906 -9.589 1.0 26.08 ? 93 HIS A CG 1 94 . A ATOM 760 N ND1 . HIS A 1 94 ? 4.225 6.672 -9.741 1.0 30.01 ? 93 HIS A ND1 1 94 . A ATOM 761 C CD2 . HIS A 1 94 ? 2.110 6.543 -10.276 1.0 28.49 ? 93 HIS A CD2 1 94 . A ATOM 762 C CE1 . HIS A 1 94 ? 3.946 7.728 -10.486 1.0 31.55 ? 93 HIS A CE1 1 94 . A ATOM 763 N NE2 . HIS A 1 94 ? 2.671 7.672 -10.827 1.0 30.78 ? 93 HIS A NE2 1 94 . A ATOM 764 N N . ALA A 1 95 ? 2.261 3.001 -5.826 1.0 21.63 ? 94 ALA A N 1 95 . A ATOM 765 C CA . ALA A 1 95 ? 2.051 1.683 -5.217 1.0 20.75 ? 94 ALA A CA 1 95 . A ATOM 766 C C . ALA A 1 95 ? 0.569 1.308 -5.158 1.0 20.75 ? 94 ALA A C 1 95 . A ATOM 767 O O . ALA A 1 95 ? 0.225 0.134 -5.236 1.0 20.39 ? 94 ALA A O 1 95 . A ATOM 768 C CB . ALA A 1 95 ? 2.676 1.599 -3.836 1.0 21.34 ? 94 ALA A CB 1 95 . A ATOM 769 N N . THR A 1 96 ? -0.302 2.306 -5.021 1.0 19.65 ? 95 THR A N 1 96 . A ATOM 770 C CA . THR A 1 96 ? -1.736 2.028 -5.008 1.0 21.32 ? 95 THR A CA 1 96 . A ATOM 771 C C . THR A 1 96 ? -2.493 3.014 -5.889 1.0 22.45 ? 95 THR A C 1 96 . A ATOM 772 O O . THR A 1 96 ? -2.135 4.183 -5.963 1.0 22.89 ? 95 THR A O 1 96 . A ATOM 773 C CB . THR A 1 96 ? -2.295 2.063 -3.582 1.0 21.49 ? 95 THR A CB 1 96 . A ATOM 774 O OG1 . THR A 1 96 ? -3.684 1.688 -3.595 1.0 21.99 ? 95 THR A OG1 1 96 . A ATOM 775 C CG2 . THR A 1 96 ? -2.114 3.450 -2.959 1.0 21.75 ? 95 THR A CG2 1 96 . A ATOM 776 N N . LYS A 1 97 ? -3.542 2.530 -6.547 1.0 24.29 ? 96 LYS A N 1 97 . A ATOM 777 C CA . LYS A 1 97 ? -4.448 3.404 -7.295 1.0 26.16 ? 96 LYS A CA 1 97 . A ATOM 778 C C . LYS A 1 97 ? -5.562 3.936 -6.385 1.0 26.35 ? 96 LYS A C 1 97 . A ATOM 779 O O . LYS A 1 97 ? -6.275 4.871 -6.762 1.0 27.81 ? 96 LYS A O 1 97 . A ATOM 780 C CB . LYS A 1 97 ? -5.050 2.658 -8.489 1.0 26.94 ? 96 LYS A CB 1 97 . A ATOM 781 C CG . LYS A 1 97 ? -5.928 1.479 -8.106 1.0 29.35 ? 96 LYS A CG 1 97 . A ATOM 782 C CD . LYS A 1 97 ? -5.686 0.231 -8.963 1.0 33.69 ? 96 LYS A CD 1 97 . A ATOM 783 C CE . LYS A 1 97 ? -5.739 0.500 -10.460 1.0 33.89 ? 96 LYS A CE 1 97 . A ATOM 784 N NZ . LYS A 1 97 ? -4.426 0.994 -10.979 1.0 36.87 ? 96 LYS A NZ 1 97 . A ATOM 785 N N . HIS A 1 98 ? -5.695 3.325 -5.203 1.0 25.59 ? 97 HIS A N 1 98 . A ATOM 786 C CA . HIS A 1 98 ? -6.797 3.578 -4.253 1.0 25.47 ? 97 HIS A CA 1 98 . A ATOM 787 C C . HIS A 1 98 ? -6.421 4.620 -3.220 0.5 24.03 ? 97 HIS A C 1 98 . A ATOM 788 O O . HIS A 1 98 ? -5.254 4.790 -2.908 1.0 23.71 ? 97 HIS A O 1 98 . A ATOM 789 C CB . HIS A 1 98 ? -7.119 2.310 -3.444 1.0 25.8 ? 97 HIS A CB 1 98 . A ATOM 790 C CG . HIS A 1 98 ? -7.582 1.144 -4.259 1.0 28.44 ? 97 HIS A CG 1 98 . A ATOM 791 N ND1 . HIS A 1 98 ? -8.917 0.824 -4.409 1.0 31.42 ? 97 HIS A ND1 1 98 . A ATOM 792 C CD2 . HIS A 1 98 ? -6.890 0.191 -4.928 1.0 29.67 ? 97 HIS A CD2 1 98 . A ATOM 793 C CE1 . HIS A 1 98 ? -9.027 -0.266 -5.149 1.0 31.17 ? 97 HIS A CE1 1 98 . A ATOM 794 N NE2 . HIS A 1 98 ? -7.812 -0.671 -5.476 1.0 29.88 ? 97 HIS A NE2 1 98 . A ATOM 795 N N . LYS A 1 99 ? -7.416 5.296 -2.660 1.0 23.18 ? 98 LYS A N 1 99 . A ATOM 796 C CA . LYS A 1 99 ? -7.213 5.989 -1.398 1.0 22.31 ? 98 LYS A CA 1 99 . A ATOM 797 C C . LYS A 1 99 ? -7.308 4.909 -0.339 1.0 21.2 ? 98 LYS A C 1 99 . A ATOM 798 O O . LYS A 1 99 ? -8.268 4.124 -0.310 1.0 22.15 ? 98 LYS A O 1 99 . A ATOM 799 C CB . LYS A 1 99 ? -8.260 7.083 -1.143 1.0 22.6 ? 98 LYS A CB 1 99 . A ATOM 800 C CG . LYS A 1 99 ? -8.471 8.062 -2.294 1.0 24.94 ? 98 LYS A CG 1 99 . A ATOM 801 C CD . LYS A 1 99 ? -7.148 8.616 -2.826 1.0 26.63 ? 98 LYS A CD 1 99 . A ATOM 802 C CE . LYS A 1 99 ? -7.406 9.470 -4.063 1.0 30.68 ? 98 LYS A CE 1 99 . A ATOM 803 N NZ . LYS A 1 99 ? -6.193 9.604 -4.931 1.0 31.32 ? 98 LYS A NZ 1 99 . A ATOM 804 N N . ILE A 1 100 ? -6.306 4.846 0.522 1.0 19.4 ? 99 ILE A N 1 100 . A ATOM 805 C CA . ILE A 1 100 ? -6.255 3.766 1.496 1.0 19.63 ? 99 ILE A CA 1 100 . A ATOM 806 C C . ILE A 1 100 ? -7.201 4.086 2.641 1.0 17.64 ? 99 ILE A C 1 100 . A ATOM 807 O O . ILE A 1 100 ? -7.165 5.187 3.168 1.0 17.22 ? 99 ILE A O 1 100 . A ATOM 808 C CB . ILE A 1 100 ? -4.812 3.536 2.012 1.0 19.96 ? 99 ILE A CB 1 100 . A ATOM 809 C CG1 . ILE A 1 100 ? -3.907 3.081 0.854 1.0 22.01 ? 99 ILE A CG1 1 100 . A ATOM 810 C CG2 . ILE A 1 100 ? -4.795 2.523 3.144 1.0 21.11 ? 99 ILE A CG2 1 100 . A ATOM 811 C CD1 . ILE A 1 100 ? -4.272 1.707 0.265 1.0 21.09 ? 99 ILE A CD1 1 100 . A ATOM 812 N N . PRO A 1 101 ? -8.036 3.106 3.042 1.0 16.13 ? 100 PRO A N 1 101 . A ATOM 813 C CA . PRO A 1 101 ? -8.935 3.380 4.185 1.0 15.61 ? 100 PRO A CA 1 101 . A ATOM 814 C C . PRO A 1 101 ? -8.242 3.719 5.499 1.0 15.25 ? 100 PRO A C 1 101 . A ATOM 815 O O . PRO A 1 101 ? -7.167 3.218 5.801 1.0 14.08 ? 100 PRO A O 1 101 . A ATOM 816 C CB . PRO A 1 101 ? -9.719 2.082 4.340 1.0 15.99 ? 100 PRO A CB 1 101 . A ATOM 817 C CG . PRO A 1 101 ? -9.568 1.332 3.018 1.0 17.76 ? 100 PRO A CG 1 101 . A ATOM 818 C CD . PRO A 1 101 ? -8.183 1.737 2.522 1.0 17.08 ? 100 PRO A CD 1 101 . A ATOM 819 N N . ILE A 1 102 ? -8.881 4.553 6.309 1.0 14.07 ? 101 ILE A N 1 102 . A ATOM 820 C CA . ILE A 1 102 ? -8.341 4.909 7.628 1.0 15.76 ? 101 ILE A CA 1 102 . A ATOM 821 C C . ILE A 1 102 ? -8.002 3.682 8.484 1.0 14.67 ? 101 ILE A C 1 102 . A ATOM 822 O O . ILE A 1 102 ? -6.984 3.658 9.196 1.0 15.13 ? 101 ILE A O 1 102 . A ATOM 823 C CB . ILE A 1 102 ? -9.338 5.842 8.382 1.0 16.91 ? 101 ILE A CB 1 102 . A ATOM 824 C CG1 . ILE A 1 102 ? -9.468 7.182 7.646 1.0 18.83 ? 101 ILE A CG1 1 102 . A ATOM 825 C CG2 . ILE A 1 102 ? -8.986 5.998 9.889 1.0 19.6 ? 101 ILE A CG2 1 102 . A ATOM 826 C CD1 . ILE A 1 102 ? -8.183 7.975 7.415 1.0 23.43 ? 101 ILE A CD1 1 102 . A ATOM 827 N N . LYS A 1 103 ? -8.838 2.655 8.399 1.0 12.68 ? 102 LYS A N 1 103 . A ATOM 828 C CA . LYS A 1 103 ? -8.635 1.453 9.199 1.0 13.21 ? 102 LYS A CA 1 103 . A ATOM 829 C C . LYS A 1 103 ? -7.262 0.844 8.917 1.0 12.0 ? 102 LYS A C 1 103 . A ATOM 830 O O . LYS A 1 103 ? -6.672 0.262 9.814 1.0 12.63 ? 102 LYS A O 1 103 . A ATOM 831 C CB . LYS A 1 103 ? -9.754 0.431 9.032 1.0 14.15 ? 102 LYS A CB 1 103 . A ATOM 832 C CG . LYS A 1 103 ? -9.895 -0.161 7.677 1.0 17.13 ? 102 LYS A CG 1 103 . A ATOM 833 C CD . LYS A 1 103 ? -10.611 -1.503 7.831 1.0 20.09 ? 102 LYS A CD 1 103 . A ATOM 834 C CE . LYS A 1 103 ? -10.749 -2.219 6.528 1.0 23.29 ? 102 LYS A CE 1 103 . A ATOM 835 N NZ . LYS A 1 103 ? -11.704 -3.369 6.682 1.0 22.35 ? 102 LYS A NZ 1 103 . A ATOM 836 N N . TYR A 1 104 ? -6.773 0.975 7.681 1.0 10.92 ? 103 TYR A N 1 104 . A ATOM 837 C CA . TYR A 1 104 ? -5.424 0.424 7.382 1.0 11.75 ? 103 TYR A CA 1 104 . A ATOM 838 C C . TYR A 1 104 ? -4.342 1.234 8.098 1.0 10.97 ? 103 TYR A C 1 104 . A ATOM 839 O O . TYR A 1 104 ? -3.273 0.704 8.458 1.0 11.23 ? 103 TYR A O 1 104 . A ATOM 840 C CB . TYR A 1 104 ? -5.124 0.435 5.890 1.0 13.34 ? 103 TYR A CB 1 104 . A ATOM 841 C CG . TYR A 1 104 ? -5.860 -0.548 5.014 1.0 15.09 ? 103 TYR A CG 1 104 . A ATOM 842 C CD1 . TYR A 1 104 ? -7.029 -1.160 5.423 1.0 16.59 ? 103 TYR A CD1 1 104 . A ATOM 843 C CD2 . TYR A 1 104 ? -5.373 -0.840 3.740 1.0 17.82 ? 103 TYR A CD2 1 104 . A ATOM 844 C CE1 . TYR A 1 104 ? -7.708 -2.067 4.579 1.0 19.75 ? 103 TYR A CE1 1 104 . A ATOM 845 C CE2 . TYR A 1 104 ? -6.021 -1.728 2.912 1.0 20.08 ? 103 TYR A CE2 1 104 . A ATOM 846 C CZ . TYR A 1 104 ? -7.179 -2.338 3.332 1.0 19.05 ? 103 TYR A CZ 1 104 . A ATOM 847 O OH . TYR A 1 104 ? -7.842 -3.217 2.508 1.0 22.64 ? 103 TYR A OH 1 104 . A ATOM 848 N N . LEU A 1 105 ? -4.593 2.519 8.308 1.0 10.91 ? 104 LEU A N 1 105 . A ATOM 849 C CA . LEU A 1 105 ? -3.652 3.317 9.090 1.0 11.4 ? 104 LEU A CA 1 105 . A ATOM 850 C C . LEU A 1 105 ? -3.649 2.863 10.547 1.0 11.26 ? 104 LEU A C 1 105 . A ATOM 851 O O . LEU A 1 105 ? -2.619 2.938 11.230 1.0 10.29 ? 104 LEU A O 1 105 . A ATOM 852 C CB . LEU A 1 105 ? -3.988 4.804 8.978 1.0 11.89 ? 104 LEU A CB 1 105 . A ATOM 853 C CG . LEU A 1 105 ? -3.884 5.386 7.564 1.0 14.92 ? 104 LEU A CG 1 105 . A ATOM 854 C CD1 . LEU A 1 105 ? -4.496 6.797 7.584 1.0 20.97 ? 104 LEU A CD1 1 105 . A ATOM 855 C CD2 . LEU A 1 105 ? -2.435 5.437 7.140 1.0 18.68 ? 104 LEU A CD2 1 105 . A ATOM 856 N N . GLU A 1 106 ? -4.790 2.355 11.040 1.0 10.6 ? 105 GLU A N 1 106 . A ATOM 857 C CA . GLU A 1 106 ? -4.811 1.744 12.379 1.0 12.24 ? 105 GLU A CA 1 106 . A ATOM 858 C C . GLU A 1 106 ? -3.927 0.500 12.372 1.0 11.33 ? 105 GLU A C 1 106 . A ATOM 859 O O . GLU A 1 106 ? -3.100 0.293 13.283 1.0 11.28 ? 105 GLU A O 1 106 . A ATOM 860 C CB . GLU A 1 106 ? -6.253 1.407 12.796 1.0 12.88 ? 105 GLU A CB 1 106 . A ATOM 861 C CG . GLU A 1 106 ? -7.040 2.705 13.028 1.0 15.39 ? 105 GLU A CG 1 106 . A ATOM 862 C CD . GLU A 1 106 ? -8.541 2.541 13.290 1.0 16.77 ? 105 GLU A CD 1 106 . A ATOM 863 O OE1 . GLU A 1 106 ? -9.103 1.435 13.133 1.0 22.6 ? 105 GLU A OE1 1 106 . A ATOM 864 O OE2 . GLU A 1 106 ? -9.166 3.562 13.671 1.0 23.71 ? 105 GLU A OE2 1 106 . A ATOM 865 N N . PHE A 1 107 ? -4.058 -0.283 11.301 1.0 10.11 ? 106 PHE A N 1 107 . A ATOM 866 C CA . PHE A 1 107 ? -3.294 -1.540 11.177 1.0 10.2 ? 106 PHE A CA 1 107 . A ATOM 867 C C . PHE A 1 107 ? -1.792 -1.229 11.166 1.0 9.71 ? 106 PHE A C 1 107 . A ATOM 868 O O . PHE A 1 107 ? -0.997 -1.908 11.892 1.0 10.21 ? 106 PHE A O 1 107 . A ATOM 869 C CB . PHE A 1 107 ? -3.668 -2.316 9.909 1.0 10.79 ? 106 PHE A CB 1 107 . A ATOM 870 C CG . PHE A 1 107 ? -5.089 -2.813 9.880 1.0 10.61 ? 106 PHE A CG 1 107 . A ATOM 871 C CD1 . PHE A 1 107 ? -5.859 -2.913 11.053 1.0 12.73 ? 106 PHE A CD1 1 107 . A ATOM 872 C CD2 . PHE A 1 107 ? -5.645 -3.183 8.666 1.0 11.66 ? 106 PHE A CD2 1 107 . A ATOM 873 C CE1 . PHE A 1 107 ? -7.204 -3.391 10.992 1.0 13.67 ? 106 PHE A CE1 1 107 . A ATOM 874 C CE2 . PHE A 1 107 ? -6.979 -3.642 8.604 1.0 14.52 ? 106 PHE A CE2 1 107 . A ATOM 875 C CZ . PHE A 1 107 ? -7.744 -3.731 9.754 1.0 12.84 ? 106 PHE A CZ 1 107 . A ATOM 876 N N . ILE A 1 108 ? -1.388 -0.231 10.379 1.0 9.49 ? 107 ILE A N 1 108 . A ATOM 877 C CA . ILE A 1 108 ? 0.051 0.029 10.273 1.0 9.31 ? 107 ILE A CA 1 108 . A ATOM 878 C C . ILE A 1 108 ? 0.544 0.651 11.582 1.0 9.52 ? 107 ILE A C 1 108 . A ATOM 879 O O . ILE A 1 108 ? 1.715 0.456 11.978 1.0 9.7 ? 107 ILE A O 1 108 . A ATOM 880 C CB . ILE A 1 108 ? 0.447 0.861 9.025 1.0 9.01 ? 107 ILE A CB 1 108 . A ATOM 881 C CG1 . ILE A 1 108 ? 1.934 0.618 8.695 1.0 10.3 ? 107 ILE A CG1 1 108 . A ATOM 882 C CG2 . ILE A 1 108 ? 0.089 2.344 9.219 1.0 11.23 ? 107 ILE A CG2 1 108 . A ATOM 883 C CD1 . ILE A 1 108 ? 2.424 1.409 7.484 1.0 11.56 ? 107 ILE A CD1 1 108 . A ATOM 884 N N . SER A 1 109 ? -0.331 1.391 12.282 1.0 8.72 ? 108 SER A N 1 109 . A ATOM 885 C CA . SER A 1 109 ? 0.076 1.940 13.579 1.0 9.82 ? 108 SER A CA 1 109 . A ATOM 886 C C . SER A 1 109 ? 0.441 0.797 14.574 1.0 10.77 ? 108 SER A C 1 109 . A ATOM 887 O O . SER A 1 109 ? 1.458 0.874 15.269 1.0 10.74 ? 108 SER A O 1 109 . A ATOM 888 C CB . SER A 1 109 ? -1.008 2.856 14.152 1.0 9.66 ? 108 SER A CB 1 109 . A ATOM 889 O OG . SER A 1 109 ? -1.187 3.968 13.324 1.0 9.9 ? 108 SER A OG 1 109 . A ATOM 890 N N . GLU A 1 110 ? -0.362 -0.279 14.598 1.0 10.43 ? 109 GLU A N 1 110 . A ATOM 891 C CA . GLU A 1 110 ? -0.067 -1.446 15.437 1.0 12.36 ? 109 GLU A CA 1 110 . A ATOM 892 C C . GLU A 1 110 ? 1.291 -2.031 15.048 1.0 11.6 ? 109 GLU A C 1 110 . A ATOM 893 O O . GLU A 1 110 ? 2.075 -2.431 15.915 1.0 11.87 ? 109 GLU A O 1 110 . A ATOM 894 C CB . GLU A 1 110 ? -1.128 -2.549 15.251 1.0 13.17 ? 109 GLU A CB 1 110 . A ATOM 895 C CG . GLU A 1 110 ? -2.556 -2.187 15.672 1.0 17.63 ? 109 GLU A CG 1 110 . A ATOM 896 C CD . GLU A 1 110 ? -3.570 -3.225 15.126 1.0 17.93 ? 109 GLU A CD 1 110 . A ATOM 897 O OE1 . GLU A 1 110 ? -3.183 -4.385 14.834 0.8 25.1 ? 109 GLU A OE1 1 110 . A ATOM 898 O OE2 . GLU A 1 110 ? -4.768 -2.880 14.969 0.8 24.06 ? 109 GLU A OE2 1 110 . A ATOM 899 N N . ALA A 1 111 ? 1.542 -2.101 13.744 1.0 10.59 ? 110 ALA A N 1 111 . A ATOM 900 C CA . ALA A 1 111 ? 2.798 -2.726 13.248 1.0 10.29 ? 110 ALA A CA 1 111 . A ATOM 901 C C . ALA A 1 111 ? 4.005 -1.902 13.657 1.0 10.32 ? 110 ALA A C 1 111 . A ATOM 902 O O . ALA A 1 111 ? 5.041 -2.450 14.071 1.0 10.69 ? 110 ALA A O 1 111 . A ATOM 903 C CB . ALA A 1 111 ? 2.763 -2.892 11.756 1.0 11.44 ? 110 ALA A CB 1 111 . A ATOM 904 N N . ILE A 1 112 ? 3.876 -0.585 13.522 1.0 9.17 ? 111 ILE A N 1 112 . A ATOM 905 C CA . ILE A 1 112 ? 4.934 0.354 13.954 1.0 9.69 ? 111 ILE A CA 1 112 . A ATOM 906 C C . ILE A 1 112 ? 5.253 0.163 15.437 1.0 9.8 ? 111 ILE A C 1 112 . A ATOM 907 O O . ILE A 1 112 ? 6.411 0.012 15.808 1.0 10.42 ? 111 ILE A O 1 112 . A ATOM 908 C CB . ILE A 1 112 ? 4.523 1.783 13.687 1.0 8.61 ? 111 ILE A CB 1 112 . A ATOM 909 C CG1 . ILE A 1 112 ? 4.462 2.043 12.172 1.0 8.97 ? 111 ILE A CG1 1 112 . A ATOM 910 C CG2 . ILE A 1 112 ? 5.469 2.783 14.373 1.0 9.71 ? 111 ILE A CG2 1 112 . A ATOM 911 C CD1 . ILE A 1 112 ? 3.761 3.383 11.823 1.0 9.28 ? 111 ILE A CD1 1 112 . A ATOM 912 N N . ILE A 1 113 ? 4.231 0.113 16.278 1.0 10.92 ? 112 ILE A N 1 113 . A ATOM 913 C CA . ILE A 1 113 ? 4.449 -0.073 17.718 1.0 12.24 ? 112 ILE A CA 1 113 . A ATOM 914 C C . ILE A 1 113 ? 5.168 -1.406 17.975 1.0 12.23 ? 112 ILE A C 1 113 . A ATOM 915 O O . ILE A 1 113 ? 6.121 -1.479 18.767 1.0 12.37 ? 112 ILE A O 1 113 . A ATOM 916 C CB . ILE A 1 113 ? 3.121 -0.075 18.484 1.0 13.93 ? 112 ILE A CB 1 113 . A ATOM 917 C CG1 . ILE A 1 113 ? 2.463 1.307 18.364 1.0 15.61 ? 112 ILE A CG1 1 113 . A ATOM 918 C CG2 . ILE A 1 113 ? 3.360 -0.531 19.928 1.0 14.73 ? 112 ILE A CG2 1 113 . A ATOM 919 C CD1 . ILE A 1 113 ? 3.258 2.434 18.932 1.0 18.03 ? 112 ILE A CD1 1 113 . A ATOM 920 N N . HIS A 1 114 ? 4.711 -2.458 17.313 1.0 12.07 ? 113 HIS A N 1 114 . A ATOM 921 C CA . HIS A 1 114 ? 5.321 -3.753 17.515 1.0 12.58 ? 113 HIS A CA 1 114 . A ATOM 922 C C . HIS A 1 114 ? 6.808 -3.738 17.140 1.0 11.94 ? 113 HIS A C 1 114 . A ATOM 923 O O . HIS A 1 114 ? 7.655 -4.250 17.889 1.0 12.48 ? 113 HIS A O 1 114 . A ATOM 924 C CB . HIS A 1 114 ? 4.589 -4.833 16.744 1.0 14.0 ? 113 HIS A CB 1 114 . A ATOM 925 C CG . HIS A 1 114 ? 5.146 -6.195 17.000 1.0 18.22 ? 113 HIS A CG 1 114 . A ATOM 926 N ND1 . HIS A 1 114 ? 4.740 -6.968 18.063 1.0 22.35 ? 113 HIS A ND1 1 114 . A ATOM 927 C CD2 . HIS A 1 114 ? 6.131 -6.887 16.381 1.0 21.15 ? 113 HIS A CD2 1 114 . A ATOM 928 C CE1 . HIS A 1 114 ? 5.421 -8.100 18.063 1.0 24.04 ? 113 HIS A CE1 1 114 . A ATOM 929 N NE2 . HIS A 1 114 ? 6.271 -8.075 17.053 1.0 24.21 ? 113 HIS A NE2 1 114 . A ATOM 930 N N . VAL A 1 115 ? 7.099 -3.201 15.966 1.0 11.0 ? 114 VAL A N 1 115 . A ATOM 931 C CA . VAL A 1 115 ? 8.436 -3.282 15.421 1.0 11.56 ? 114 VAL A CA 1 115 . A ATOM 932 C C . VAL A 1 115 ? 9.365 -2.427 16.268 1.0 11.81 ? 114 VAL A C 1 115 . A ATOM 933 O O . VAL A 1 115 ? 10.498 -2.837 16.566 1.0 12.29 ? 114 VAL A O 1 115 . A ATOM 934 C CB . VAL A 1 115 ? 8.473 -2.890 13.945 1.0 11.54 ? 114 VAL A CB 1 115 . A ATOM 935 C CG1 . VAL A 1 115 ? 9.914 -2.688 13.484 1.0 11.35 ? 114 VAL A CG1 1 115 . A ATOM 936 C CG2 . VAL A 1 115 ? 7.755 -3.950 13.110 1.0 12.71 ? 114 VAL A CG2 1 115 . A ATOM 937 N N . LEU A 1 116 ? 8.896 -1.254 16.693 1.0 11.49 ? 115 LEU A N 1 116 . A ATOM 938 C CA . LEU A 1 116 ? 9.756 -0.404 17.527 1.0 11.78 ? 115 LEU A CA 1 116 . A ATOM 939 C C . LEU A 1 116 ? 10.078 -1.095 18.848 1.0 12.76 ? 115 LEU A C 1 116 . A ATOM 940 O O . LEU A 1 116 ? 11.193 -0.976 19.348 1.0 14.19 ? 115 LEU A O 1 116 . A ATOM 941 C CB . LEU A 1 116 ? 9.143 0.981 17.746 1.0 11.82 ? 115 LEU A CB 1 116 . A ATOM 942 C CG . LEU A 1 116 ? 9.044 1.857 16.506 1.0 14.63 ? 115 LEU A CG 1 116 . A ATOM 943 C CD1 . LEU A 1 116 ? 8.380 3.198 16.836 1.0 15.5 ? 115 LEU A CD1 1 116 . A ATOM 944 C CD2 . LEU A 1 116 ? 10.346 2.090 15.850 1.0 16.83 ? 115 LEU A CD2 1 116 . A ATOM 945 N N . HIS A 1 117 ? 9.105 -1.801 19.412 1.0 13.57 ? 116 HIS A N 1 117 . A ATOM 946 C CA . HIS A 1 117 ? 9.335 -2.500 20.665 1.0 16.08 ? 116 HIS A CA 1 117 . A ATOM 947 C C . HIS A 1 117 ? 10.290 -3.653 20.453 1.0 16.42 ? 116 HIS A C 1 117 . A ATOM 948 O O . HIS A 1 117 ? 11.207 -3.876 21.268 1.0 16.43 ? 116 HIS A O 1 117 . A ATOM 949 C CB . HIS A 1 117 ? 8.030 -2.998 21.257 1.0 16.35 ? 116 HIS A CB 1 117 . A ATOM 950 C CG . HIS A 1 117 ? 8.228 -3.718 22.541 1.0 20.61 ? 116 HIS A CG 1 117 . A ATOM 951 N ND1 . HIS A 1 117 ? 8.111 -5.086 22.645 1.0 25.71 ? 116 HIS A ND1 1 117 . A ATOM 952 C CD2 . HIS A 1 117 ? 8.629 -3.276 23.756 1.0 24.33 ? 116 HIS A CD2 1 117 . A ATOM 953 C CE1 . HIS A 1 117 ? 8.385 -5.450 23.888 1.0 28.24 ? 116 HIS A CE1 1 117 . A ATOM 954 N NE2 . HIS A 1 117 ? 8.693 -4.370 24.583 1.0 25.87 ? 116 HIS A NE2 1 117 . A ATOM 955 N N . SER A 1 118 ? 10.114 -4.349 19.332 1.0 15.96 ? 117 SER A N 1 118 . A ATOM 956 C CA . SER A 1 118 ? 10.982 -5.469 18.980 1.0 16.68 ? 117 SER A CA 1 118 . A ATOM 957 C C . SER A 1 118 ? 12.447 -5.036 18.833 1.0 16.63 ? 117 SER A C 1 118 . A ATOM 958 O O . SER A 1 118 ? 13.355 -5.704 19.372 1.0 18.23 ? 117 SER A O 1 118 . A ATOM 959 C CB . SER A 1 118 ? 10.485 -6.155 17.707 1.0 16.91 ? 117 SER A CB 1 118 . A ATOM 960 O OG . SER A 1 118 ? 11.268 -7.306 17.455 1.0 19.78 ? 117 SER A OG 1 118 . A ATOM 961 N N . ARG A 1 119 ? 12.679 -3.938 18.116 1.0 16.03 ? 118 ARG A N 1 119 . A ATOM 962 C CA . ARG A 1 119 ? 14.035 -3.496 17.791 1.0 16.07 ? 118 ARG A CA 1 119 . A ATOM 963 C C . ARG A 1 119 ? 14.692 -2.683 18.909 1.0 15.57 ? 118 ARG A C 1 119 . A ATOM 964 O O . ARG A 1 119 ? 15.920 -2.654 19.007 1.0 16.29 ? 118 ARG A O 1 119 . A ATOM 965 C CB . ARG A 1 119 ? 14.053 -2.699 16.472 1.0 16.24 ? 118 ARG A CB 1 119 . A ATOM 966 C CG . ARG A 1 119 ? 13.667 -3.545 15.242 1.0 16.4 ? 118 ARG A CG 1 119 . A ATOM 967 C CD . ARG A 1 119 ? 13.622 -2.734 13.954 1.0 18.18 ? 118 ARG A CD 1 119 . A ATOM 968 N NE . ARG A 1 119 ? 14.948 -2.272 13.563 1.0 24.4 ? 118 ARG A NE 1 119 . A ATOM 969 C CZ . ARG A 1 119 ? 15.564 -2.540 12.408 1.0 20.48 ? 118 ARG A CZ 1 119 . A ATOM 970 N NH1 . ARG A 1 119 ? 14.987 -3.268 11.456 1.0 20.48 ? 118 ARG A NH1 1 119 . A ATOM 971 N NH2 . ARG A 1 119 ? 16.767 -2.047 12.213 1.0 21.45 ? 118 ARG A NH2 1 119 . A ATOM 972 N N . HIS A 1 120 ? 13.887 -2.023 19.750 1.0 14.54 ? 119 HIS A N 1 120 . A ATOM 973 C CA . HIS A 1 120 ? 14.400 -1.025 20.689 1.0 15.57 ? 119 HIS A CA 1 120 . A ATOM 974 C C . HIS A 1 120 ? 13.728 -1.120 22.070 1.0 16.53 ? 119 HIS A C 1 120 . A ATOM 975 O O . HIS A 1 120 ? 13.274 -0.106 22.597 1.0 16.54 ? 119 HIS A O 1 120 . A ATOM 976 C CB . HIS A 1 120 ? 14.168 0.385 20.149 1.0 15.17 ? 119 HIS A CB 1 120 . A ATOM 977 C CG . HIS A 1 120 ? 14.639 0.579 18.743 1.0 15.93 ? 119 HIS A CG 1 120 . A ATOM 978 N ND1 . HIS A 1 120 ? 15.974 0.630 18.395 1.0 16.45 ? 119 HIS A ND1 1 120 . A ATOM 979 C CD2 . HIS A 1 120 ? 13.940 0.741 17.596 1.0 16.53 ? 119 HIS A CD2 1 120 . A ATOM 980 C CE1 . HIS A 1 120 ? 16.077 0.807 17.086 1.0 17.77 ? 119 HIS A CE1 1 120 . A ATOM 981 N NE2 . HIS A 1 120 ? 14.855 0.864 16.576 1.0 15.37 ? 119 HIS A NE2 1 120 . A ATOM 982 N N . PRO A 1 121 ? 13.680 -2.320 22.661 1.0 19.08 ? 120 PRO A N 1 121 . A ATOM 983 C CA . PRO A 1 121 ? 12.864 -2.474 23.872 1.0 20.88 ? 120 PRO A CA 1 121 . A ATOM 984 C C . PRO A 1 121 ? 13.324 -1.525 24.990 1.0 22.2 ? 120 PRO A C 1 121 . A ATOM 985 O O . PRO A 1 121 ? 12.489 -0.897 25.652 1.0 22.71 ? 120 PRO A O 1 121 . A ATOM 986 C CB . PRO A 1 121 ? 13.065 -3.946 24.241 1.0 21.78 ? 120 PRO A CB 1 121 . A ATOM 987 C CG . PRO A 1 121 ? 14.398 -4.313 23.615 1.0 21.46 ? 120 PRO A CG 1 121 . A ATOM 988 C CD . PRO A 1 121 ? 14.369 -3.573 22.302 1.0 19.66 ? 120 PRO A CD 1 121 . A ATOM 989 N N . GLY A 1 122 ? 14.636 -1.363 25.148 1.0 23.02 ? 121 GLY A N 1 122 . A ATOM 990 C CA . GLY A 1 122 ? 15.163 -0.420 26.154 1.0 24.29 ? 121 GLY A CA 1 122 . A ATOM 991 C C . GLY A 1 122 ? 14.495 0.943 26.130 1.0 25.12 ? 121 GLY A C 1 122 . A ATOM 992 O O . GLY A 1 122 ? 13.922 1.380 27.137 1.0 26.89 ? 121 GLY A O 1 122 . A ATOM 993 N N . ASP A 1 123 ? 14.540 1.587 24.968 1.0 24.18 ? 122 ASP A N 1 123 . A ATOM 994 C CA . ASP A 1 123 ? 14.071 2.956 24.735 1.0 24.6 ? 122 ASP A CA 1 123 . A ATOM 995 C C . ASP A 1 123 ? 12.652 3.001 24.163 1.0 23.28 ? 122 ASP A C 1 123 . A ATOM 996 O O . ASP A 1 123 ? 12.156 4.056 23.651 1.0 24.26 ? 122 ASP A O 1 123 . A ATOM 997 C CB . ASP A 1 123 ? 15.028 3.652 23.757 1.0 26.16 ? 122 ASP A CB 1 123 . A ATOM 998 C CG . ASP A 1 123 ? 16.051 4.542 24.458 1.0 29.08 ? 122 ASP A CG 1 123 . A ATOM 999 O OD1 . ASP A 1 123 ? 15.775 5.013 25.587 1.0 34.48 ? 122 ASP A OD1 1 123 . A ATOM 1000 O OD2 . ASP A 1 123 ? 17.137 4.779 23.878 1.0 35.28 ? 122 ASP A OD2 1 123 . A ATOM 1001 N N . PHE A 1 124 ? 12.004 1.853 24.182 1.0 19.63 ? 123 PHE A N 1 124 . A ATOM 1002 C CA . PHE A 1 124 ? 10.635 1.849 23.749 1.0 17.68 ? 123 PHE A CA 1 124 . A ATOM 1003 C C . PHE A 1 124 ? 9.781 1.060 24.714 1.0 16.74 ? 123 PHE A C 1 124 . A ATOM 1004 O O . PHE A 1 124 ? 9.145 0.075 24.341 1.0 15.8 ? 123 PHE A O 1 124 . A ATOM 1005 C CB . PHE A 1 124 ? 10.506 1.352 22.313 1.0 16.86 ? 123 PHE A CB 1 124 . A ATOM 1006 C CG . PHE A 1 124 ? 9.218 1.794 21.650 1.0 14.05 ? 123 PHE A CG 1 124 . A ATOM 1007 C CD1 . PHE A 1 124 ? 9.023 3.131 21.350 1.0 14.51 ? 123 PHE A CD1 1 124 . A ATOM 1008 C CD2 . PHE A 1 124 ? 8.204 0.873 21.366 1.0 15.78 ? 123 PHE A CD2 1 124 . A ATOM 1009 C CE1 . PHE A 1 124 ? 7.833 3.568 20.737 1.0 14.35 ? 123 PHE A CE1 1 124 . A ATOM 1010 C CE2 . PHE A 1 124 ? 6.998 1.313 20.759 1.0 15.18 ? 123 PHE A CE2 1 124 . A ATOM 1011 C CZ . PHE A 1 124 ? 6.834 2.638 20.434 1.0 14.45 ? 123 PHE A CZ 1 124 . A ATOM 1012 N N . GLY A 1 125 ? 9.778 1.514 25.971 1.0 16.2 ? 124 GLY A N 1 125 . A ATOM 1013 C CA . GLY A 1 125 ? 8.942 0.926 27.036 1.0 16.68 ? 124 GLY A CA 1 125 . A ATOM 1014 C C . GLY A 1 125 ? 7.531 1.490 27.031 1.0 16.5 ? 124 GLY A C 1 125 . A ATOM 1015 O O . GLY A 1 125 ? 7.109 2.074 26.050 1.0 16.82 ? 124 GLY A O 1 125 . A ATOM 1016 N N . ALA A 1 126 ? 6.805 1.321 28.137 1.0 16.06 ? 125 ALA A N 1 126 . A ATOM 1017 C CA . ALA A 1 126 ? 5.421 1.790 28.237 1.0 14.68 ? 125 ALA A CA 1 126 . A ATOM 1018 C C . ALA A 1 126 ? 5.229 3.296 27.993 1.0 13.72 ? 125 ALA A C 1 126 . A ATOM 1019 O O . ALA A 1 126 ? 4.254 3.699 27.358 1.0 14.2 ? 125 ALA A O 1 126 . A ATOM 1020 C CB . ALA A 1 126 ? 4.833 1.400 29.587 1.0 15.21 ? 125 ALA A CB 1 126 . A ATOM 1021 N N . ASP A 1 127 ? 6.164 4.117 28.479 1.0 12.74 ? 126 ASP A N 1 127 . A ATOM 1022 C CA . ASP A 1 127 ? 6.019 5.570 28.350 1.0 13.35 ? 126 ASP A CA 1 127 . A ATOM 1023 C C . ASP A 1 127 ? 6.137 5.980 26.884 1.0 12.65 ? 126 ASP A C 1 127 . A ATOM 1024 O O . ASP A 1 127 ? 5.330 6.758 26.375 1.0 13.45 ? 126 ASP A O 1 127 . A ATOM 1025 C CB . ASP A 1 127 ? 7.057 6.316 29.195 1.0 13.14 ? 126 ASP A CB 1 127 . A ATOM 1026 C CG . ASP A 1 127 ? 6.801 6.182 30.701 1.0 15.59 ? 126 ASP A CG 1 127 . A ATOM 1027 O OD1 . ASP A 1 127 ? 5.850 5.487 31.098 1.0 16.45 ? 126 ASP A OD1 1 127 . A ATOM 1028 O OD2 . ASP A 1 127 ? 7.571 6.771 31.480 1.0 18.55 ? 126 ASP A OD2 1 127 . A ATOM 1029 N N . ALA A 1 128 ? 7.179 5.475 26.239 1.0 12.2 ? 127 ALA A N 1 128 . A ATOM 1030 C CA . ALA A 1 128 ? 7.426 5.765 24.820 1.0 12.66 ? 127 ALA A CA 1 128 . A ATOM 1031 C C . ALA A 1 128 ? 6.313 5.181 23.956 1.0 12.44 ? 127 ALA A C 1 128 . A ATOM 1032 O O . ALA A 1 128 ? 5.891 5.814 22.972 1.0 13.12 ? 127 ALA A O 1 128 . A ATOM 1033 C CB . ALA A 1 128 ? 8.771 5.181 24.407 1.0 12.75 ? 127 ALA A CB 1 128 . A ATOM 1034 N N . GLN A 1 129 ? 5.854 3.969 24.290 1.0 12.73 ? 128 GLN A N 1 129 . A ATOM 1035 C CA A GLN A 1 129 ? 4.736 3.340 23.574 1.0 13.01 ? 128 GLN A CA 1 129 . A ATOM 1036 C C . GLN A 1 129 ? 3.446 4.170 23.678 1.0 13.08 ? 128 GLN A C 1 129 . A ATOM 1037 O O . GLN A 1 129 ? 2.794 4.430 22.664 1.0 13.63 ? 128 GLN A O 1 129 . A ATOM 1038 C CB A GLN A 1 129 ? 4.517 1.916 24.077 1.0 13.84 ? 128 GLN A CB 1 129 . A ATOM 1039 C CG A GLN A 1 129 ? 5.652 0.992 23.740 1.0 17.41 ? 128 GLN A CG 1 129 . A ATOM 1040 C CD A GLN A 1 129 ? 5.468 -0.408 24.279 1.0 25.06 ? 128 GLN A CD 1 129 . A ATOM 1041 O OE1 A GLN A 1 129 ? 6.362 -0.977 24.958 1.0 25.81 ? 128 GLN A OE1 1 129 . A ATOM 1042 N NE2 A GLN A 1 129 ? 4.305 -0.984 23.987 1.0 25.75 ? 128 GLN A NE2 1 129 . A ATOM 1043 N N . GLY A 1 130 ? 3.104 4.622 24.882 1.0 12.1 ? 129 GLY A N 1 130 . A ATOM 1044 C CA . GLY A 1 130 ? 1.912 5.468 25.080 1.0 12.93 ? 129 GLY A CA 1 130 . A ATOM 1045 C C . GLY A 1 130 ? 2.030 6.725 24.246 1.0 12.6 ? 129 GLY A C 1 130 . A ATOM 1046 O O . GLY A 1 130 ? 1.083 7.131 23.561 1.0 12.97 ? 129 GLY A O 1 130 . A ATOM 1047 N N . ALA A 1 131 ? 3.224 7.320 24.253 1.0 11.82 ? 130 ALA A N 1 131 . A ATOM 1048 C CA . ALA A 1 131 ? 3.457 8.568 23.512 1.0 11.47 ? 130 ALA A CA 1 131 . A ATOM 1049 C C . ALA A 1 131 ? 3.307 8.344 22.007 1.0 11.09 ? 130 ALA A C 1 131 . A ATOM 1050 O O . ALA A 1 131 ? 2.597 9.089 21.313 1.0 11.22 ? 130 ALA A O 1 131 . A ATOM 1051 C CB . ALA A 1 131 ? 4.844 9.109 23.830 1.0 10.9 ? 130 ALA A CB 1 131 . A ATOM 1052 N N . MET A 1 132 ? 3.939 7.274 21.518 1.0 11.28 ? 131 MET A N 1 132 . A ATOM 1053 C CA . MET A 1 132 ? 3.816 6.905 20.091 1.0 11.89 ? 131 MET A CA 1 132 . A ATOM 1054 C C . MET A 1 132 ? 2.358 6.564 19.699 1.0 11.09 ? 131 MET A C 1 132 . A ATOM 1055 O O . MET A 1 132 ? 1.865 6.993 18.656 1.0 11.8 ? 131 MET A O 1 132 . A ATOM 1056 C CB . MET A 1 132 ? 4.803 5.785 19.743 1.0 11.6 ? 131 MET A CB 1 132 . A ATOM 1057 C CG . MET A 1 132 ? 4.853 5.487 18.256 1.0 13.38 ? 131 MET A CG 1 132 . A ATOM 1058 S SD . MET A 1 132 ? 5.425 6.852 17.214 1.0 14.02 ? 131 MET A SD 1 132 . A ATOM 1059 C CE . MET A 1 132 ? 7.143 6.687 17.558 1.0 13.13 ? 131 MET A CE 1 132 . A ATOM 1060 N N . ASN A 1 133 ? 1.651 5.847 20.561 1.0 11.44 ? 132 ASN A N 1 133 . A ATOM 1061 C CA . ASN A 1 133 ? 0.238 5.594 20.302 1.0 12.14 ? 132 ASN A CA 1 133 . A ATOM 1062 C C . ASN A 1 133 ? -0.566 6.908 20.124 1.0 11.89 ? 132 ASN A C 1 133 . A ATOM 1063 O O . ASN A 1 133 ? -1.359 7.056 19.163 1.0 10.99 ? 132 ASN A O 1 133 . A ATOM 1064 C CB . ASN A 1 133 ? -0.326 4.696 21.386 1.0 13.32 ? 132 ASN A CB 1 133 . A ATOM 1065 C CG . ASN A 1 133 ? -0.077 3.198 21.079 1.0 17.99 ? 132 ASN A CG 1 133 . A ATOM 1066 O OD1 . ASN A 1 133 ? -0.164 2.766 19.913 1.0 26.11 ? 132 ASN A OD1 1 133 . A ATOM 1067 N ND2 . ASN A 1 133 ? 0.198 2.405 22.118 1.0 24.23 ? 132 ASN A ND2 1 133 . A ATOM 1068 N N . LYS A 1 134 ? -0.321 7.864 21.015 1.0 11.24 ? 133 LYS A N 1 134 . A ATOM 1069 C CA . LYS A 1 134 ? -1.000 9.177 20.928 1.0 12.42 ? 133 LYS A CA 1 134 . A ATOM 1070 C C . LYS A 1 134 ? -0.599 9.894 19.629 1.0 11.61 ? 133 LYS A C 1 134 . A ATOM 1071 O O . LYS A 1 134 ? -1.460 10.416 18.904 1.0 11.45 ? 133 LYS A O 1 134 . A ATOM 1072 C CB . LYS A 1 134 ? -0.678 10.055 22.153 1.0 12.52 ? 133 LYS A CB 1 134 . A ATOM 1073 C CG . LYS A 1 134 ? -1.248 9.523 23.450 1.0 14.95 ? 133 LYS A CG 1 134 . A ATOM 1074 C CD . LYS A 1 134 ? -0.789 10.391 24.665 1.0 16.36 ? 133 LYS A CD 1 134 . A ATOM 1075 C CE . LYS A 1 134 ? -1.420 9.872 25.955 1.0 25.22 ? 133 LYS A CE 1 134 . A ATOM 1076 N NZ . LYS A 1 134 ? -1.064 10.741 27.125 1.0 29.98 ? 133 LYS A NZ 1 134 . A ATOM 1077 N N . ALA A 1 135 ? 0.697 9.866 19.317 1.0 10.72 ? 134 ALA A N 1 135 . A ATOM 1078 C CA . ALA A 1 135 ? 1.205 10.596 18.140 1.0 10.81 ? 134 ALA A CA 1 135 . A ATOM 1079 C C . ALA A 1 135 ? 0.611 10.016 16.853 1.0 10.67 ? 134 ALA A C 1 135 . A ATOM 1080 O O . ALA A 1 135 ? 0.268 10.747 15.908 1.0 12.0 ? 134 ALA A O 1 135 . A ATOM 1081 C CB . ALA A 1 135 ? 2.749 10.566 18.096 1.0 10.36 ? 134 ALA A CB 1 135 . A ATOM 1082 N N . LEU A 1 136 ? 0.519 8.695 16.816 1.0 10.1 ? 135 LEU A N 1 136 . A ATOM 1083 C CA . LEU A 1 136 ? -0.048 7.993 15.654 1.0 10.88 ? 135 LEU A CA 1 136 . A ATOM 1084 C C . LEU A 1 136 ? -1.550 8.238 15.556 1.0 11.34 ? 135 LEU A C 1 136 . A ATOM 1085 O O . LEU A 1 136 ? -2.067 8.367 14.448 1.0 10.15 ? 135 LEU A O 1 136 . A ATOM 1086 C CB . LEU A 1 136 ? 0.236 6.499 15.720 1.0 11.39 ? 135 LEU A CB 1 136 . A ATOM 1087 C CG . LEU A 1 136 ? 1.723 6.197 15.484 1.0 12.05 ? 135 LEU A CG 1 136 . A ATOM 1088 C CD1 . LEU A 1 136 ? 1.943 4.724 15.656 1.0 13.74 ? 135 LEU A CD1 1 136 . A ATOM 1089 C CD2 . LEU A 1 136 ? 2.257 6.675 14.122 1.0 13.54 ? 135 LEU A CD2 1 136 . A ATOM 1090 N N . GLU A 1 137 ? -2.224 8.347 16.694 1.0 10.47 ? 136 GLU A N 1 137 . A ATOM 1091 C CA . GLU A 1 137 ? -3.642 8.723 16.694 1.0 12.72 ? 136 GLU A CA 1 137 . A ATOM 1092 C C . GLU A 1 137 ? -3.850 10.104 16.076 1.0 12.33 ? 136 GLU A C 1 137 . A ATOM 1093 O O . GLU A 1 137 ? -4.744 10.292 15.251 1.0 13.03 ? 136 GLU A O 1 137 . A ATOM 1094 C CB . GLU A 1 137 ? -4.208 8.694 18.099 1.0 13.05 ? 136 GLU A CB 1 137 . A ATOM 1095 C CG . GLU A 1 137 ? -5.718 8.965 18.088 1.0 17.34 ? 136 GLU A CG 1 137 . A ATOM 1096 C CD . GLU A 1 137 ? -6.344 8.809 19.453 1.0 25.38 ? 136 GLU A CD 1 137 . A ATOM 1097 O OE1 . GLU A 1 137 ? -7.117 9.720 19.851 1.0 28.82 ? 136 GLU A OE1 1 137 . A ATOM 1098 O OE2 . GLU A 1 137 ? -6.065 7.786 20.119 1.0 25.41 ? 136 GLU A OE2 1 137 . A ATOM 1099 N N . LEU A 1 138 ? -3.026 11.075 16.471 1.0 11.53 ? 137 LEU A N 1 138 . A ATOM 1100 C CA . LEU A 1 138 ? -3.068 12.410 15.871 1.0 12.91 ? 137 LEU A CA 1 138 . A ATOM 1101 C C . LEU A 1 138 ? -2.780 12.365 14.361 1.0 12.32 ? 137 LEU A C 1 138 . A ATOM 1102 O O . LEU A 1 138 ? -3.439 13.032 13.573 1.0 12.67 ? 137 LEU A O 1 138 . A ATOM 1103 C CB . LEU A 1 138 ? -2.073 13.341 16.576 1.0 13.65 ? 137 LEU A CB 1 138 . A ATOM 1104 C CG . LEU A 1 138 ? -2.441 13.845 17.975 1.0 17.45 ? 137 LEU A CG 1 138 . A ATOM 1105 C CD1 . LEU A 1 138 ? -1.299 14.700 18.520 1.0 20.53 ? 137 LEU A CD1 1 138 . A ATOM 1106 C CD2 . LEU A 1 138 ? -3.728 14.662 17.922 1.0 19.72 ? 137 LEU A CD2 1 138 . A ATOM 1107 N N . PHE A 1 139 ? -1.778 11.577 13.984 1.0 11.94 ? 138 PHE A N 1 139 . A ATOM 1108 C CA . PHE A 1 139 ? -1.463 11.324 12.576 1.0 13.26 ? 138 PHE A CA 1 139 . A ATOM 1109 C C . PHE A 1 139 ? -2.705 10.837 11.813 1.0 13.01 ? 138 PHE A C 1 139 . A ATOM 1110 O O . PHE A 1 139 ? -3.055 11.405 10.777 1.0 14.23 ? 138 PHE A O 1 139 . A ATOM 1111 C CB . PHE A 1 139 ? -0.304 10.328 12.503 1.0 14.09 ? 138 PHE A CB 1 139 . A ATOM 1112 C CG . PHE A 1 139 ? -0.166 9.619 11.176 1.0 15.14 ? 138 PHE A CG 1 139 . A ATOM 1113 C CD1 . PHE A 1 139 ? 0.249 10.304 10.032 1.0 18.81 ? 138 PHE A CD1 1 139 . A ATOM 1114 C CD2 . PHE A 1 139 ? -0.397 8.249 11.102 1.0 15.75 ? 138 PHE A CD2 1 139 . A ATOM 1115 C CE1 . PHE A 1 139 ? 0.390 9.612 8.814 1.0 19.7 ? 138 PHE A CE1 1 139 . A ATOM 1116 C CE2 . PHE A 1 139 ? -0.255 7.555 9.912 1.0 18.24 ? 138 PHE A CE2 1 139 . A ATOM 1117 C CZ . PHE A 1 139 ? 0.134 8.243 8.771 1.0 17.49 ? 138 PHE A CZ 1 139 . A ATOM 1118 N N . ARG A 1 140 ? -3.396 9.847 12.356 1.0 12.13 ? 139 ARG A N 1 140 . A ATOM 1119 C CA . ARG A 1 140 ? -4.580 9.284 11.665 1.0 11.64 ? 139 ARG A CA 1 140 . A ATOM 1120 C C . ARG A 1 140 ? -5.690 10.324 11.568 1.0 12.57 ? 139 ARG A C 1 140 . A ATOM 1121 O O . ARG A 1 140 ? -6.352 10.437 10.526 1.0 11.8 ? 139 ARG A O 1 140 . A ATOM 1122 C CB . ARG A 1 140 ? -5.082 8.039 12.398 1.0 12.11 ? 139 ARG A CB 1 140 . A ATOM 1123 C CG . ARG A 1 140 ? -4.077 6.871 12.356 1.0 12.3 ? 139 ARG A CG 1 140 . A ATOM 1124 C CD . ARG A 1 140 ? -4.732 5.562 12.745 1.0 13.97 ? 139 ARG A CD 1 140 . A ATOM 1125 N NE . ARG A 1 140 ? -5.250 5.590 14.107 1.0 15.11 ? 139 ARG A NE 1 140 . A ATOM 1126 C CZ . ARG A 1 140 ? -4.541 5.372 15.211 1.0 15.16 ? 139 ARG A CZ 1 140 . A ATOM 1127 N NH1 . ARG A 1 140 ? -3.225 5.154 15.170 1.0 14.5 ? 139 ARG A NH1 1 140 . A ATOM 1128 N NH2 . ARG A 1 140 ? -5.159 5.413 16.383 1.0 17.36 ? 139 ARG A NH2 1 140 . A ATOM 1129 N N . LYS A 1 141 ? -5.907 11.062 12.656 1.0 13.38 ? 140 LYS A N 1 141 . A ATOM 1130 C CA . LYS A 1 141 ? -6.894 12.157 12.649 1.0 14.38 ? 140 LYS A CA 1 141 . A ATOM 1131 C C . LYS A 1 141 ? -6.567 13.207 11.570 1.0 14.54 ? 140 LYS A C 1 141 . A ATOM 1132 O O . LYS A 1 141 ? -7.468 13.665 10.843 1.0 15.15 ? 140 LYS A O 1 141 . A ATOM 1133 C CB . LYS A 1 141 ? -6.992 12.781 14.037 1.0 14.77 ? 140 LYS A CB 1 141 . A ATOM 1134 C CG . LYS A 1 141 ? -7.732 11.836 14.980 1.0 19.17 ? 140 LYS A CG 1 141 . A ATOM 1135 C CD . LYS A 1 141 ? -8.093 12.508 16.303 1.0 23.24 ? 140 LYS A CD 1 141 . A ATOM 1136 C CE . LYS A 1 141 ? -8.884 11.541 17.181 1.0 26.54 ? 140 LYS A CE 1 141 . A ATOM 1137 N NZ . LYS A 1 141 ? -9.416 12.225 18.387 1.0 30.34 ? 140 LYS A NZ 1 141 . A ATOM 1138 N N . ASP A 1 142 ? -5.289 13.554 11.443 1.0 14.95 ? 141 ASP A N 1 142 . A ATOM 1139 C CA . ASP A 1 142 ? -4.832 14.483 10.398 1.0 15.81 ? 141 ASP A CA 1 142 . A ATOM 1140 C C . ASP A 1 142 ? -5.205 13.947 9.007 1.0 14.67 ? 141 ASP A C 1 142 . A ATOM 1141 O O . ASP A 1 142 ? -5.731 14.678 8.152 1.0 14.95 ? 141 ASP A O 1 142 . A ATOM 1142 C CB . ASP A 1 142 ? -3.315 14.645 10.476 1.0 17.37 ? 141 ASP A CB 1 142 . A ATOM 1143 C CG . ASP A 1 142 ? -2.794 15.737 9.564 1.0 22.76 ? 141 ASP A CG 1 142 . A ATOM 1144 O OD1 . ASP A 1 142 ? -3.448 16.802 9.480 1.0 30.56 ? 141 ASP A OD1 1 142 . A ATOM 1145 O OD2 . ASP A 1 142 ? -1.717 15.541 8.943 1.0 30.05 ? 141 ASP A OD2 1 142 . A ATOM 1146 N N . ILE A 1 143 ? -4.869 12.681 8.766 1.0 13.38 ? 142 ILE A N 1 143 . A ATOM 1147 C CA . ILE A 1 143 ? -5.152 12.065 7.447 1.0 12.73 ? 142 ILE A CA 1 143 . A ATOM 1148 C C . ILE A 1 143 ? -6.664 12.058 7.191 1.0 12.01 ? 142 ILE A C 1 143 . A ATOM 1149 O O . ILE A 1 143 ? -7.106 12.441 6.120 1.0 11.53 ? 142 ILE A O 1 143 . A ATOM 1150 C CB . ILE A 1 143 ? -4.576 10.673 7.317 1.0 13.84 ? 142 ILE A CB 1 143 . A ATOM 1151 C CG1 . ILE A 1 143 ? -3.027 10.712 7.430 1.0 15.21 ? 142 ILE A CG1 1 143 . A ATOM 1152 C CG2 . ILE A 1 143 ? -5.009 10.050 5.972 1.0 13.09 ? 142 ILE A CG2 1 143 . A ATOM 1153 C CD1 . ILE A 1 143 ? -2.337 11.574 6.351 1.0 17.95 ? 142 ILE A CD1 1 143 . A ATOM 1154 N N . ALA A 1 144 ? -7.455 11.664 8.197 1.0 11.9 ? 143 ALA A N 1 144 . A ATOM 1155 C CA . ALA A 1 144 ? -8.903 11.645 8.033 1.0 12.7 ? 143 ALA A CA 1 144 . A ATOM 1156 C C . ALA A 1 144 ? -9.434 13.039 7.692 1.0 13.59 ? 143 ALA A C 1 144 . A ATOM 1157 O O . ALA A 1 144 ? -10.333 13.158 6.852 1.0 13.64 ? 143 ALA A O 1 144 . A ATOM 1158 C CB . ALA A 1 144 ? -9.572 11.108 9.287 1.0 14.03 ? 143 ALA A CB 1 144 . A ATOM 1159 N N . ALA A 1 145 ? -8.846 14.072 8.317 1.0 14.03 ? 144 ALA A N 1 145 . A ATOM 1160 C CA . ALA A 1 145 ? -9.205 15.474 8.058 1.0 15.09 ? 144 ALA A CA 1 145 . A ATOM 1161 C C . ALA A 1 145 ? -8.912 15.841 6.594 1.0 14.96 ? 144 ALA A C 1 145 . A ATOM 1162 O O . ALA A 1 145 ? -9.719 16.534 5.969 1.0 16.58 ? 144 ALA A O 1 145 . A ATOM 1163 C CB . ALA A 1 145 ? -8.432 16.417 9.007 1.0 15.25 ? 144 ALA A CB 1 145 . A ATOM 1164 N N . LYS A 1 146 ? -7.775 15.393 6.075 1.0 14.33 ? 145 LYS A N 1 146 . A ATOM 1165 C CA . LYS A 1 146 ? -7.437 15.632 4.669 1.0 15.13 ? 145 LYS A CA 1 146 . A ATOM 1166 C C . LYS A 1 146 ? -8.446 14.953 3.746 1.0 14.07 ? 145 LYS A C 1 146 . A ATOM 1167 O O . LYS A 1 146 ? -8.899 15.567 2.785 1.0 13.31 ? 145 LYS A O 1 146 . A ATOM 1168 C CB . LYS A 1 146 ? -6.042 15.158 4.345 1.0 16.02 ? 145 LYS A CB 1 146 . A ATOM 1169 C CG . LYS A 1 146 ? -4.950 15.885 5.106 1.0 18.89 ? 145 LYS A CG 1 146 . A ATOM 1170 C CD . LYS A 1 146 ? -3.631 15.251 4.769 1.0 22.32 ? 145 LYS A CD 1 146 . A ATOM 1171 C CE . LYS A 1 146 ? -2.464 15.944 5.481 1.0 26.07 ? 145 LYS A CE 1 146 . A ATOM 1172 N NZ . LYS A 1 146 ? -1.155 15.405 5.023 1.0 28.41 ? 145 LYS A NZ 1 146 . A ATOM 1173 N N . TYR A 1 147 ? -8.796 13.692 4.024 1.0 12.28 ? 146 TYR A N 1 147 . A ATOM 1174 C CA . TYR A 1 147 ? -9.764 12.998 3.162 1.0 12.33 ? 146 TYR A CA 1 147 . A ATOM 1175 C C . TYR A 1 147 ? -11.082 13.759 3.151 1.0 13.47 ? 146 TYR A C 1 147 . A ATOM 1176 O O . TYR A 1 147 ? -11.702 13.913 2.097 1.0 12.93 ? 146 TYR A O 1 147 . A ATOM 1177 C CB . TYR A 1 147 ? -10.063 11.594 3.649 1.0 12.94 ? 146 TYR A CB 1 147 . A ATOM 1178 C CG . TYR A 1 147 ? -9.024 10.515 3.355 1.0 14.8 ? 146 TYR A CG 1 147 . A ATOM 1179 C CD1 . TYR A 1 147 ? -7.664 10.804 3.262 1.0 14.51 ? 146 TYR A CD1 1 147 . A ATOM 1180 C CD2 . TYR A 1 147 ? -9.424 9.194 3.198 1.0 18.23 ? 146 TYR A CD2 1 147 . A ATOM 1181 C CE1 . TYR A 1 147 ? -6.726 9.770 3.017 1.0 15.33 ? 146 TYR A CE1 1 147 . A ATOM 1182 C CE2 . TYR A 1 147 ? -8.504 8.161 2.959 1.0 20.82 ? 146 TYR A CE2 1 147 . A ATOM 1183 C CZ . TYR A 1 147 ? -7.148 8.467 2.873 1.0 16.54 ? 146 TYR A CZ 1 147 . A ATOM 1184 O OH . TYR A 1 147 ? -6.242 7.457 2.646 1.0 17.1 ? 146 TYR A OH 1 147 . A ATOM 1185 N N . LYS A 1 148 ? -11.497 14.238 4.312 1.0 13.63 ? 147 LYS A N 1 148 . A ATOM 1186 C CA . LYS A 1 148 ? -12.749 15.010 4.396 1.0 15.57 ? 147 LYS A CA 1 148 . A ATOM 1187 C C . LYS A 1 148 ? -12.668 16.280 3.548 1.0 15.41 ? 147 LYS A C 1 148 . A ATOM 1188 O O . LYS A 1 148 ? -13.568 16.569 2.730 1.0 16.03 ? 147 LYS A O 1 148 . A ATOM 1189 C CB . LYS A 1 148 ? -13.069 15.345 5.855 1.0 16.26 ? 147 LYS A CB 1 148 . A ATOM 1190 C CG . LYS A 1 148 ? -14.283 16.226 6.059 1.0 19.71 ? 147 LYS A CG 1 148 . A ATOM 1191 C CD . LYS A 1 148 ? -14.748 16.183 7.522 1.0 22.53 ? 147 LYS A CD 1 148 . A ATOM 1192 C CE . LYS A 1 148 ? -16.148 16.801 7.664 1.0 27.68 ? 147 LYS A CE 1 148 . A ATOM 1193 N NZ . LYS A 1 148 ? -16.685 16.685 9.064 1.0 30.11 ? 147 LYS A NZ 1 148 . A ATOM 1194 N N . GLU A 1 149 ? -11.588 17.026 3.725 1.0 16.22 ? 148 GLU A N 1 149 . A ATOM 1195 C CA . GLU A 1 149 ? -11.403 18.288 2.989 1.0 17.23 ? 148 GLU A CA 1 149 . A ATOM 1196 C C . GLU A 1 149 ? -11.381 18.111 1.467 1.0 18.19 ? 148 GLU A C 1 149 . A ATOM 1197 O O . GLU A 1 149 ? -11.862 19.002 0.741 1.0 19.04 ? 148 GLU A O 1 149 . A ATOM 1198 C CB . GLU A 1 149 ? -10.118 18.956 3.434 1.0 18.79 ? 148 GLU A CB 1 149 . A ATOM 1199 C CG . GLU A 1 149 ? -9.964 20.359 2.951 1.0 24.3 ? 148 GLU A CG 1 149 . A ATOM 1200 C CD . GLU A 1 149 ? -9.136 21.197 3.893 1.0 30.0 ? 148 GLU A CD 1 149 . A ATOM 1201 O OE1 . GLU A 1 149 ? -9.368 22.414 3.918 1.0 33.62 ? 148 GLU A OE1 1 149 . A ATOM 1202 O OE2 . GLU A 1 149 ? -8.277 20.643 4.616 1.0 31.8 ? 148 GLU A OE2 1 149 . A ATOM 1203 N N . LEU A 1 150 ? -10.817 16.996 0.996 1.0 16.7 ? 149 LEU A N 1 150 . A ATOM 1204 C CA . LEU A 1 150 ? -10.629 16.767 -0.464 1.0 17.33 ? 149 LEU A CA 1 150 . A ATOM 1205 C C . LEU A 1 150 ? -11.698 15.920 -1.154 1.0 16.14 ? 149 LEU A C 1 150 . A ATOM 1206 O O . LEU A 1 150 ? -11.727 15.812 -2.381 1.0 16.27 ? 149 LEU A O 1 150 . A ATOM 1207 C CB . LEU A 1 150 ? -9.255 16.195 -0.735 1.0 18.75 ? 149 LEU A CB 1 150 . A ATOM 1208 C CG . LEU A 1 150 ? -8.104 17.108 -0.298 1.0 20.12 ? 149 LEU A CG 1 150 . A ATOM 1209 C CD1 . LEU A 1 150 ? -6.834 16.339 -0.422 1.0 22.92 ? 149 LEU A CD1 1 150 . A ATOM 1210 C CD2 . LEU A 1 150 ? -8.050 18.426 -1.105 1.0 22.8 ? 149 LEU A CD2 1 150 . A ATOM 1211 N N . GLY A 1 151 ? -12.585 15.333 -0.365 1.0 15.8 ? 150 GLY A N 1 151 . A ATOM 1212 C CA . GLY A 1 151 ? -13.637 14.451 -0.883 1.0 15.27 ? 150 GLY A CA 1 151 . A ATOM 1213 C C . GLY A 1 151 ? -13.219 13.023 -1.183 1.0 15.29 ? 150 GLY A C 1 151 . A ATOM 1214 O O . GLY A 1 151 ? -13.666 12.457 -2.176 1.0 16.27 ? 150 GLY A O 1 151 . A ATOM 1215 N N . TYR A 1 152 ? -12.375 12.424 -0.326 1.0 14.76 ? 151 TYR A N 1 152 . A ATOM 1216 C CA . TYR A 1 152 ? -11.979 11.031 -0.484 1.0 14.7 ? 151 TYR A CA 1 152 . A ATOM 1217 C C . TYR A 1 152 ? -12.627 10.147 0.576 1.0 14.6 ? 151 TYR A C 1 152 . A ATOM 1218 O O . TYR A 1 152 ? -12.808 10.602 1.701 1.0 14.21 ? 151 TYR A O 1 152 . A ATOM 1219 C CB . TYR A 1 152 ? -10.455 10.871 -0.385 1.0 15.46 ? 151 TYR A CB 1 152 . A ATOM 1220 C CG . TYR A 1 152 ? -9.658 11.728 -1.349 1.0 17.49 ? 151 TYR A CG 1 152 . A ATOM 1221 C CD1 . TYR A 1 152 ? -10.187 12.136 -2.575 1.0 19.8 ? 151 TYR A CD1 1 152 . A ATOM 1222 C CD2 . TYR A 1 152 ? -8.371 12.106 -1.038 1.0 19.11 ? 151 TYR A CD2 1 152 . A ATOM 1223 C CE1 . TYR A 1 152 ? -9.442 12.912 -3.458 1.0 20.9 ? 151 TYR A CE1 1 152 . A ATOM 1224 C CE2 . TYR A 1 152 ? -7.614 12.870 -1.919 1.0 20.51 ? 151 TYR A CE2 1 152 . A ATOM 1225 C CZ . TYR A 1 152 ? -8.147 13.270 -3.112 1.0 20.03 ? 151 TYR A CZ 1 152 . A ATOM 1226 O OH . TYR A 1 152 ? -7.376 14.027 -3.978 1.0 21.46 ? 151 TYR A OH 1 152 . A ATOM 1227 N N . GLN A 1 153 ? -13.000 8.918 0.222 1.0 16.04 ? 152 GLN A N 1 153 . A ATOM 1228 C CA . GLN A 1 153 ? -13.586 7.987 1.206 1.0 17.06 ? 152 GLN A CA 1 153 . A ATOM 1229 C C . GLN A 1 153 ? -12.479 7.303 1.995 1.0 18.03 ? 152 GLN A C 1 153 . A ATOM 1230 O O . GLN A 1 153 ? -11.561 6.695 1.430 1.0 20.15 ? 152 GLN A O 1 153 . A ATOM 1231 C CB . GLN A 1 153 ? -14.485 6.917 0.560 1.0 17.88 ? 152 GLN A CB 1 153 . A ATOM 1232 C CG . GLN A 1 153 ? -15.302 6.042 1.586 1.0 17.58 ? 152 GLN A CG 1 153 . A ATOM 1233 C CD . GLN A 1 153 ? -16.055 6.874 2.622 1.0 22.74 ? 152 GLN A CD 1 153 . A ATOM 1234 O OE1 . GLN A 1 153 ? -15.764 6.811 3.820 1.0 25.92 ? 152 GLN A OE1 1 153 . A ATOM 1235 N NE2 . GLN A 1 153 ? -17.000 7.691 2.158 1.0 23.79 ? 152 GLN A NE2 1 153 . A ATOM 1236 N N . GLY A 1 154 ? -12.563 7.443 3.305 1.0 18.07 ? 153 GLY A N 1 154 . A ATOM 1237 C CA . GLY A 1 154 ? -11.620 6.788 4.194 1.0 18.34 ? 153 GLY A CA 1 154 . A ATOM 1238 C C . GLY A 1 154 ? -12.279 5.642 4.930 1.0 18.3 ? 153 GLY A C 1 154 . A ATOM 1239 O O . GLY A 1 154 ? -13.521 5.444 4.863 1.0 17.79 ? 153 GLY A O 1 154 . A ATOM 1240 O OXT . GLY A 1 154 ? -11.557 4.937 5.633 1.0 17.33 ? 153 GLY A OXT 1 154 . A HETATM 1241 P P . PO4 B 2 . ? 7.745 5.397 -9.086 1.0 40.19 ? 2001 PO4 B P 1 2001 . A HETATM 1242 O O1 . PO4 B 2 . ? 6.951 6.547 -8.508 1.0 39.84 ? 2001 PO4 B O1 1 2001 . A HETATM 1243 O O2 . PO4 B 2 . ? 6.873 4.737 -10.131 1.0 39.36 ? 2001 PO4 B O2 1 2001 . A HETATM 1244 O O3 . PO4 B 2 . ? 9.024 5.901 -9.717 1.0 40.62 ? 2001 PO4 B O3 1 2001 . A HETATM 1245 O O4 . PO4 B 2 . ? 8.070 4.406 -7.998 1.0 41.14 ? 2001 PO4 B O4 1 2001 . A HETATM 1246 P P . PO4 C 2 . ? 19.122 0.814 19.992 1.0 43.32 ? 2002 PO4 C P 1 2002 . A HETATM 1247 O O1 . PO4 C 2 . ? 19.238 0.779 18.487 1.0 44.02 ? 2002 PO4 C O1 1 2002 . A HETATM 1248 O O2 . PO4 C 2 . ? 17.693 0.696 20.456 1.0 42.26 ? 2002 PO4 C O2 1 2002 . A HETATM 1249 O O3 . PO4 C 2 . ? 19.929 -0.326 20.576 1.0 44.49 ? 2002 PO4 C O3 1 2002 . A HETATM 1250 O O4 . PO4 C 2 . ? 19.709 2.115 20.497 1.0 42.01 ? 2002 PO4 C O4 1 2002 . A HETATM 1251 P P . PO4 D 2 . ? 6.968 3.792 -3.860 1.0 40.42 ? 2003 PO4 D P 1 2003 . A HETATM 1252 O O1 . PO4 D 2 . ? 7.996 3.341 -4.870 1.0 40.7 ? 2003 PO4 D O1 1 2003 . A HETATM 1253 O O2 . PO4 D 2 . ? 5.977 4.687 -4.580 1.0 40.97 ? 2003 PO4 D O2 1 2003 . A HETATM 1254 O O3 . PO4 D 2 . ? 6.250 2.584 -3.305 1.0 40.64 ? 2003 PO4 D O3 1 2003 . A HETATM 1255 O O4 . PO4 D 2 . ? 7.665 4.541 -2.743 1.0 40.51 ? 2003 PO4 D O4 1 2003 . A HETATM 1256 P P . PO4 E 2 . ? 9.372 -10.107 16.428 1.0 60.87 ? 2004 PO4 E P 1 2004 . A HETATM 1257 O O1 . PO4 E 2 . ? 10.758 -9.780 15.921 1.0 61.18 ? 2004 PO4 E O1 1 2004 . A HETATM 1258 O O2 . PO4 E 2 . ? 8.359 -9.287 15.660 1.0 61.57 ? 2004 PO4 E O2 1 2004 . A HETATM 1259 O O3 . PO4 E 2 . ? 9.097 -11.573 16.204 1.0 60.95 ? 2004 PO4 E O3 1 2004 . A HETATM 1260 O O4 . PO4 E 2 . ? 9.269 -9.787 17.905 1.0 60.91 ? 2004 PO4 E O4 1 2004 . A HETATM 1261 P P . PO4 F 2 . ? 0.796 10.674 -11.762 1.0 61.38 ? 2005 PO4 F P 1 2005 . A HETATM 1262 O O1 . PO4 F 2 . ? 1.866 10.041 -12.618 1.0 60.84 ? 2005 PO4 F O1 1 2005 . A HETATM 1263 O O2 . PO4 F 2 . ? -0.064 11.578 -12.614 1.0 61.88 ? 2005 PO4 F O2 1 2005 . A HETATM 1264 O O3 . PO4 F 2 . ? -0.107 9.622 -11.161 1.0 61.43 ? 2005 PO4 F O3 1 2005 . A HETATM 1265 O O4 . PO4 F 2 . ? 1.455 11.474 -10.658 1.0 61.02 ? 2005 PO4 F O4 1 2005 . A HETATM 1266 O O3 . CUP G 3 . ? -0.406 6.204 -1.791 1.0 22.26 ? 1001 CUP G O3 1 1001 . A HETATM 1267 C C8 . CUP G 3 . ? 0.133 5.598 -0.870 1.0 19.7 ? 1001 CUP G C8 1 1001 . A HETATM 1268 O O2 . CUP G 3 . ? 1.207 4.661 -1.081 1.0 20.41 ? 1001 CUP G O2 1 1001 . A HETATM 1269 C C9 . CUP G 3 . ? -0.226 5.806 0.574 1.0 19.6 ? 1001 CUP G C9 1 1001 . A HETATM 1270 C C10 . CUP G 3 . ? 0.724 6.921 1.042 1.0 22.36 ? 1001 CUP G C10 1 1001 . A HETATM 1271 C C11 . CUP G 3 . ? 0.517 7.405 2.456 1.0 25.36 ? 1001 CUP G C11 1 1001 . A HETATM 1272 C C16 . CUP G 3 . ? -0.623 8.149 2.790 1.0 26.37 ? 1001 CUP G C16 1 1001 . A HETATM 1273 C C15 . CUP G 3 . ? -0.806 8.592 4.109 1.0 28.24 ? 1001 CUP G C15 1 1001 . A HETATM 1274 C C14 . CUP G 3 . ? 0.164 8.293 5.071 1.0 27.34 ? 1001 CUP G C14 1 1001 . A HETATM 1275 C C13 . CUP G 3 . ? 1.299 7.542 4.748 1.0 27.75 ? 1001 CUP G C13 1 1001 . A HETATM 1276 C C12 . CUP G 3 . ? 1.487 7.105 3.421 1.0 26.05 ? 1001 CUP G C12 1 1001 . A HETATM 1277 N N1 . CUP G 3 . ? 0.078 4.627 1.407 1.0 18.13 ? 1001 CUP G N1 1 1001 . A HETATM 1278 CU CU1 . CUP G 3 . ? 1.520 3.489 0.872 1.0 20.14 ? 1001 CUP G CU1 1 1001 . A HETATM 1279 C C1 . CUP G 3 . ? -0.608 4.422 2.457 1.0 19.3 ? 1001 CUP G C1 1 1001 . A HETATM 1280 C C2 . CUP G 3 . ? -0.561 3.275 3.398 1.0 17.34 ? 1001 CUP G C2 1 1001 . A HETATM 1281 C C7 . CUP G 3 . ? 0.340 2.213 3.349 1.0 17.95 ? 1001 CUP G C7 1 1001 . A HETATM 1282 O O1 . CUP G 3 . ? 1.347 2.126 2.439 1.0 20.96 ? 1001 CUP G O1 1 1001 . A HETATM 1283 C C6 . CUP G 3 . ? 0.251 1.192 4.310 1.0 17.78 ? 1001 CUP G C6 1 1001 . A HETATM 1284 C C5 . CUP G 3 . ? -0.735 1.215 5.280 1.0 19.17 ? 1001 CUP G C5 1 1001 . A HETATM 1285 C C4 . CUP G 3 . ? -1.630 2.271 5.325 1.0 19.59 ? 1001 CUP G C4 1 1001 . A HETATM 1286 C C3 . CUP G 3 . ? -1.545 3.292 4.394 1.0 19.36 ? 1001 CUP G C3 1 1001 . A HETATM 1287 O O . HOH H 4 . ? -11.551 2.922 7.388 1.0 11.43 ? 2006 HOH H O 1 2006 . A HETATM 1288 O O . HOH H 4 . ? -14.107 4.934 7.534 1.0 14.3 ? 2007 HOH H O 1 2007 . A HETATM 1289 O O . HOH H 4 . ? 7.019 -4.053 -9.481 1.0 14.27 ? 2008 HOH H O 1 2008 . A HETATM 1290 O O . HOH H 4 . ? 11.353 -0.189 3.978 1.0 20.46 ? 2009 HOH H O 1 2009 . A HETATM 1291 O O . HOH H 4 . ? 19.618 0.913 6.194 1.0 14.14 ? 2010 HOH H O 1 2010 . A HETATM 1292 O O . HOH H 4 . ? 8.343 -7.850 10.698 1.0 19.09 ? 2011 HOH H O 1 2011 . A HETATM 1293 O O . HOH H 4 . ? 11.511 -5.873 1.220 1.0 18.42 ? 2012 HOH H O 1 2012 . A HETATM 1294 O O . HOH H 4 . ? -14.747 3.024 4.840 1.0 16.01 ? 2013 HOH H O 1 2013 . A HETATM 1295 O O . HOH H 4 . ? 11.205 12.877 27.476 1.0 24.82 ? 2014 HOH H O 1 2014 . A HETATM 1296 O O . HOH H 4 . ? 10.348 -10.897 -3.976 1.0 25.45 ? 2015 HOH H O 1 2015 . A HETATM 1297 O O . HOH H 4 . ? 0.875 14.802 -2.386 1.0 20.53 ? 2016 HOH H O 1 2016 . A HETATM 1298 O O . HOH H 4 . ? 3.511 8.343 27.697 1.0 21.49 ? 2017 HOH H O 1 2017 . A HETATM 1299 O O . HOH H 4 . ? 12.172 7.023 23.252 1.0 28.13 ? 2018 HOH H O 1 2018 . A HETATM 1300 O O . HOH H 4 . ? 0.187 12.699 3.710 1.0 24.04 ? 2019 HOH H O 1 2019 . A HETATM 1301 O O . HOH H 4 . ? -3.642 16.489 -1.443 1.0 21.49 ? 2020 HOH H O 1 2020 . A HETATM 1302 O O . HOH H 4 . ? 6.491 -9.783 11.153 1.0 24.04 ? 2021 HOH H O 1 2021 . A HETATM 1303 O O . HOH H 4 . ? 0.322 17.420 21.331 1.0 23.59 ? 2022 HOH H O 1 2022 . A HETATM 1304 O O . HOH H 4 . ? -3.049 12.843 -2.992 1.0 23.53 ? 2023 HOH H O 1 2023 . A HETATM 1305 O O . HOH H 4 . ? 7.144 0.432 -4.340 1.0 27.93 ? 2024 HOH H O 1 2024 . A HETATM 1306 O O . HOH H 4 . ? 11.556 -6.076 13.883 1.0 25.43 ? 2025 HOH H O 1 2025 . A HETATM 1307 O O . HOH H 4 . ? 17.320 -1.041 14.646 1.0 24.82 ? 2026 HOH H O 1 2026 . A HETATM 1308 O O . HOH H 4 . ? 1.306 -5.362 14.762 1.0 29.02 ? 2027 HOH H O 1 2027 . A HETATM 1309 O O . HOH H 4 . ? 0.564 -12.092 4.107 1.0 25.75 ? 2028 HOH H O 1 2028 . A HETATM 1310 O O . HOH H 4 . ? 1.262 13.298 14.721 1.0 21.17 ? 2029 HOH H O 1 2029 . A HETATM 1311 O O . HOH H 4 . ? 7.350 -6.327 19.962 1.0 21.84 ? 2030 HOH H O 1 2030 . A HETATM 1312 O O . HOH H 4 . ? 11.476 5.023 -1.400 1.0 24.6 ? 2031 HOH H O 1 2031 . A HETATM 1313 O O . HOH H 4 . ? -2.288 4.711 17.785 1.0 21.99 ? 2032 HOH H O 1 2032 . A HETATM 1314 O O . HOH H 4 . ? -6.401 12.168 -6.020 1.0 31.05 ? 2033 HOH H O 1 2033 . A HETATM 1315 O O . HOH H 4 . ? 8.665 18.089 9.515 1.0 27.89 ? 2034 HOH H O 1 2034 . A HETATM 1316 O O . HOH H 4 . ? -0.031 -14.178 7.808 1.0 25.3 ? 2035 HOH H O 1 2035 . A HETATM 1317 O O . HOH H 4 . ? -0.842 -4.722 12.008 1.0 23.26 ? 2036 HOH H O 1 2036 . A HETATM 1318 O O . HOH H 4 . ? 16.694 0.591 22.920 1.0 33.15 ? 2037 HOH H O 1 2037 . A HETATM 1319 O O . HOH H 4 . ? -4.908 14.677 -3.134 1.0 22.7 ? 2038 HOH H O 1 2038 . A HETATM 1320 O O . HOH H 4 . ? 1.474 15.700 4.214 1.0 20.91 ? 2039 HOH H O 1 2039 . A HETATM 1321 O O . HOH H 4 . ? -6.852 -11.776 7.717 1.0 24.26 ? 2040 HOH H O 1 2040 . A HETATM 1322 O O . HOH H 4 . ? -1.396 6.046 24.725 1.0 23.67 ? 2041 HOH H O 1 2041 . A HETATM 1323 O O . HOH H 4 . ? 2.374 15.875 14.536 1.0 23.53 ? 2042 HOH H O 1 2042 . A HETATM 1324 O O . HOH H 4 . ? 13.565 12.496 15.353 1.0 22.93 ? 2043 HOH H O 1 2043 . A HETATM 1325 O O . HOH H 4 . ? -4.222 6.864 0.788 1.0 27.06 ? 2044 HOH H O 1 2044 . A HETATM 1326 O O . HOH H 4 . ? -10.088 14.023 11.613 1.0 25.37 ? 2045 HOH H O 1 2045 . A HETATM 1327 O O . HOH H 4 . ? 13.620 -13.577 1.022 1.0 30.63 ? 2046 HOH H O 1 2046 . A HETATM 1328 O O . HOH H 4 . ? 6.677 9.404 30.934 1.0 27.72 ? 2047 HOH H O 1 2047 . A HETATM 1329 O O . HOH H 4 . ? 10.587 12.357 7.448 1.0 22.03 ? 2048 HOH H O 1 2048 . A HETATM 1330 O O . HOH H 4 . ? 5.151 6.835 -6.609 1.0 31.4 ? 2049 HOH H O 1 2049 . A HETATM 1331 O O . HOH H 4 . ? -14.431 -2.534 6.619 1.0 24.62 ? 2050 HOH H O 1 2050 . A HETATM 1332 O O . HOH H 4 . ? 13.093 -8.504 19.814 1.0 34.47 ? 2051 HOH H O 1 2051 . A HETATM 1333 O O . HOH H 4 . ? 5.947 14.103 30.321 1.0 23.74 ? 2052 HOH H O 1 2052 . A HETATM 1334 O O . HOH H 4 . ? -2.723 8.556 -1.004 1.0 33.47 ? 2053 HOH H O 1 2053 . A HETATM 1335 O O . HOH H 4 . ? -6.170 -2.739 -6.452 1.0 44.49 ? 2054 HOH H O 1 2054 . A HETATM 1336 O O . HOH H 4 . ? -11.224 18.351 7.585 1.0 25.36 ? 2055 HOH H O 1 2055 . A HETATM 1337 O O . HOH H 4 . ? -19.084 9.361 2.815 1.0 25.07 ? 2056 HOH H O 1 2056 . A HETATM 1338 O O . HOH H 4 . ? -3.752 7.107 21.531 1.0 30.08 ? 2057 HOH H O 1 2057 . A HETATM 1339 O O . HOH H 4 . ? 0.562 26.938 8.330 1.0 37.87 ? 2058 HOH H O 1 2058 . A HETATM 1340 O O . HOH H 4 . ? -10.585 4.332 1.572 1.0 29.08 ? 2059 HOH H O 1 2059 . A HETATM 1341 O O . HOH H 4 . ? -3.661 -9.952 12.985 1.0 26.41 ? 2060 HOH H O 1 2060 . A HETATM 1342 O O . HOH H 4 . ? -4.095 13.633 25.992 1.0 32.95 ? 2061 HOH H O 1 2061 . A HETATM 1343 O O . HOH H 4 . ? 11.740 10.405 9.018 1.0 25.42 ? 2062 HOH H O 1 2062 . A HETATM 1344 O O . HOH H 4 . ? 16.251 -6.125 19.701 1.0 35.04 ? 2063 HOH H O 1 2063 . A HETATM 1345 O O . HOH H 4 . ? 14.801 -6.692 12.124 1.0 30.46 ? 2064 HOH H O 1 2064 . A HETATM 1346 O O . HOH H 4 . ? 13.408 -7.044 15.515 1.0 32.79 ? 2065 HOH H O 1 2065 . A HETATM 1347 O O . HOH H 4 . ? 17.825 8.423 19.598 1.0 29.67 ? 2066 HOH H O 1 2066 . A HETATM 1348 O O . HOH H 4 . ? 15.069 15.747 12.159 1.0 34.62 ? 2067 HOH H O 1 2067 . A HETATM 1349 O O . HOH H 4 . ? -8.368 -0.875 12.253 1.0 33.35 ? 2068 HOH H O 1 2068 . A HETATM 1350 O O . HOH H 4 . ? -0.350 23.500 20.099 1.0 39.64 ? 2069 HOH H O 1 2069 . A HETATM 1351 O O . HOH H 4 . ? 19.335 9.000 13.435 1.0 29.37 ? 2070 HOH H O 1 2070 . A HETATM 1352 O O . HOH H 4 . ? 12.400 13.571 5.496 1.0 25.93 ? 2071 HOH H O 1 2071 . A HETATM 1353 O O . HOH H 4 . ? 18.229 1.697 14.479 1.0 26.42 ? 2072 HOH H O 1 2072 . A HETATM 1354 O O . HOH H 4 . ? 20.960 8.594 11.115 1.0 26.62 ? 2073 HOH H O 1 2073 . A HETATM 1355 O O . HOH H 4 . ? 6.610 22.147 15.933 1.0 42.12 ? 2074 HOH H O 1 2074 . A HETATM 1356 O O . HOH H 4 . ? 5.711 20.413 22.974 1.0 26.78 ? 2075 HOH H O 1 2075 . A HETATM 1357 O O . HOH H 4 . ? 6.422 -10.032 13.754 1.0 25.72 ? 2076 HOH H O 1 2076 . A HETATM 1358 O O . HOH H 4 . ? 2.049 -0.737 23.290 1.0 31.52 ? 2077 HOH H O 1 2077 . A HETATM 1359 O O . HOH H 4 . ? 19.462 6.154 24.162 1.0 37.13 ? 2078 HOH H O 1 2078 . A HETATM 1360 O O . HOH H 4 . ? 15.780 -6.588 16.678 1.0 39.66 ? 2079 HOH H O 1 2079 . A HETATM 1361 O O . HOH H 4 . ? 17.154 -1.804 23.518 1.0 28.28 ? 2080 HOH H O 1 2080 . A HETATM 1362 O O . HOH H 4 . ? -12.081 14.649 10.111 1.0 28.59 ? 2081 HOH H O 1 2081 . A HETATM 1363 O O . HOH H 4 . ? 9.108 -15.995 -5.711 1.0 26.49 ? 2082 HOH H O 1 2082 . A HETATM 1364 O O . HOH H 4 . ? 10.157 -9.231 9.068 1.0 28.07 ? 2083 HOH H O 1 2083 . A HETATM 1365 O O . HOH H 4 . ? 11.710 19.354 19.396 1.0 31.89 ? 2084 HOH H O 1 2084 . A HETATM 1366 O O . HOH H 4 . ? -12.354 11.367 6.571 1.0 25.83 ? 2085 HOH H O 1 2085 . A HETATM 1367 O O . HOH H 4 . ? 14.678 -5.713 8.019 1.0 26.62 ? 2086 HOH H O 1 2086 . A HETATM 1368 O O . HOH H 4 . ? 20.132 -0.694 3.957 1.0 35.2 ? 2087 HOH H O 1 2087 . A HETATM 1369 O O . HOH H 4 . ? -2.127 17.577 -3.665 1.0 24.68 ? 2088 HOH H O 1 2088 . A HETATM 1370 O O . HOH H 4 . ? -15.701 -4.471 8.944 1.0 31.08 ? 2089 HOH H O 1 2089 . A HETATM 1371 O O . HOH H 4 . ? -7.460 -10.218 -0.646 1.0 35.42 ? 2090 HOH H O 1 2090 . A HETATM 1372 O O . HOH H 4 . ? 13.358 11.393 26.179 1.0 41.04 ? 2091 HOH H O 1 2091 . A HETATM 1373 O O . HOH H 4 . ? -13.855 11.516 4.072 1.0 27.57 ? 2092 HOH H O 1 2092 . A HETATM 1374 O O . HOH H 4 . ? -14.523 2.369 2.087 1.0 27.54 ? 2093 HOH H O 1 2093 . A HETATM 1375 O O . HOH H 4 . ? -18.359 7.641 -0.087 1.0 39.37 ? 2094 HOH H O 1 2094 . A HETATM 1376 O O . HOH H 4 . ? 1.024 -3.026 18.371 1.0 27.59 ? 2095 HOH H O 1 2095 . A HETATM 1377 O O . HOH H 4 . ? 1.281 19.633 22.801 1.0 35.43 ? 2096 HOH H O 1 2096 . A HETATM 1378 O O . HOH H 4 . ? -10.843 2.709 -3.473 1.0 41.5 ? 2097 HOH H O 1 2097 . A HETATM 1379 O O . HOH H 4 . ? -4.332 18.943 -0.499 1.0 27.29 ? 2098 HOH H O 1 2098 . A HETATM 1380 O O . HOH H 4 . ? -8.314 -11.843 -2.878 1.0 30.2 ? 2099 HOH H O 1 2099 . A HETATM 1381 O O . HOH H 4 . ? 17.470 8.844 7.557 1.0 27.27 ? 2100 HOH H O 1 2100 . A HETATM 1382 O O . HOH H 4 . ? -4.748 4.836 19.076 1.0 32.59 ? 2101 HOH H O 1 2101 . A HETATM 1383 O O . HOH H 4 . ? -21.449 7.672 -0.586 1.0 30.37 ? 2102 HOH H O 1 2102 . A HETATM 1384 O O . HOH H 4 . ? 3.788 9.484 -6.481 1.0 28.81 ? 2103 HOH H O 1 2103 . A HETATM 1385 O O . HOH H 4 . ? 18.348 -3.522 20.081 1.0 41.39 ? 2104 HOH H O 1 2104 . A HETATM 1386 O O . HOH H 4 . ? 0.234 16.474 7.342 1.0 32.59 ? 2105 HOH H O 1 2105 . A HETATM 1387 O O . HOH H 4 . ? 12.628 8.817 6.892 1.0 29.92 ? 2106 HOH H O 1 2106 . A HETATM 1388 O O . HOH H 4 . ? -1.849 17.894 19.570 1.0 39.31 ? 2107 HOH H O 1 2107 . A HETATM 1389 O O . HOH H 4 . ? 0.286 2.002 24.762 1.0 42.76 ? 2108 HOH H O 1 2108 . A HETATM 1390 O O . HOH H 4 . ? -13.279 16.183 -4.736 1.0 34.32 ? 2109 HOH H O 1 2109 . A HETATM 1391 O O . HOH H 4 . ? -5.009 -9.545 -0.234 1.0 29.43 ? 2110 HOH H O 1 2110 . A HETATM 1392 O O . HOH H 4 . ? 4.394 20.900 20.336 1.0 32.58 ? 2111 HOH H O 1 2111 . A HETATM 1393 O O . HOH H 4 . ? -8.092 6.050 13.563 1.0 36.57 ? 2112 HOH H O 1 2112 . A HETATM 1394 O O . HOH H 4 . ? 9.692 -17.422 -3.152 1.0 36.23 ? 2113 HOH H O 1 2113 . A HETATM 1395 O O . HOH H 4 . ? 5.138 14.384 5.037 1.0 45.28 ? 2114 HOH H O 1 2114 . A HETATM 1396 O O . HOH H 4 . ? 6.481 -17.148 7.291 1.0 42.12 ? 2115 HOH H O 1 2115 . A HETATM 1397 O O . HOH H 4 . ? 1.855 2.267 27.100 1.0 30.53 ? 2116 HOH H O 1 2116 . A HETATM 1398 O O . HOH H 4 . ? 7.537 -14.020 12.333 1.0 39.29 ? 2117 HOH H O 1 2117 . A HETATM 1399 O O . HOH H 4 . ? 12.230 19.426 25.186 1.0 37.17 ? 2118 HOH H O 1 2118 . A HETATM 1400 O O . HOH H 4 . ? 8.309 21.566 13.875 1.0 42.26 ? 2119 HOH H O 1 2119 . A HETATM 1401 O O . HOH H 4 . ? 13.861 8.379 25.172 1.0 39.07 ? 2120 HOH H O 1 2120 . A HETATM 1402 O O . HOH H 4 . ? 5.745 -7.326 23.700 1.0 55.32 ? 2121 HOH H O 1 2121 . A HETATM 1403 O O . HOH H 4 . ? 11.269 -6.522 22.839 1.0 34.33 ? 2122 HOH H O 1 2122 . A HETATM 1404 O O . HOH H 4 . ? 20.342 -2.971 10.488 1.0 37.59 ? 2123 HOH H O 1 2123 . A HETATM 1405 O O . HOH H 4 . ? 8.842 -7.506 13.460 1.0 39.14 ? 2124 HOH H O 1 2124 . A HETATM 1406 O O . HOH H 4 . ? 16.571 12.446 21.874 1.0 44.44 ? 2125 HOH H O 1 2125 . A HETATM 1407 O O . HOH H 4 . ? -3.632 16.242 13.346 1.0 57.86 ? 2126 HOH H O 1 2126 . A HETATM 1408 O O . HOH H 4 . ? 12.027 -7.881 7.563 1.0 33.48 ? 2127 HOH H O 1 2127 . A HETATM 1409 O O . HOH H 4 . ? 20.025 8.299 25.871 1.0 44.35 ? 2128 HOH H O 1 2128 . A HETATM 1410 O O . HOH H 4 . ? -0.592 7.233 -11.949 1.0 43.09 ? 2129 HOH H O 1 2129 . A HETATM 1411 O O . HOH H 4 . ? 14.014 -7.392 21.741 1.0 39.29 ? 2130 HOH H O 1 2130 . A HETATM 1412 O O . HOH H 4 . ? -12.403 2.763 0.754 1.0 31.53 ? 2131 HOH H O 1 2131 . A HETATM 1413 O O . HOH H 4 . ? 9.498 -12.391 12.660 1.0 36.77 ? 2132 HOH H O 1 2132 . A HETATM 1414 O O . HOH H 4 . ? -0.753 13.396 9.825 1.0 40.85 ? 2133 HOH H O 1 2133 . A HETATM 1415 O O . HOH H 4 . ? -4.480 10.660 -3.148 1.0 37.24 ? 2134 HOH H O 1 2134 . A HETATM 1416 O O . HOH H 4 . ? -12.998 21.568 -0.060 1.0 34.86 ? 2135 HOH H O 1 2135 . A HETATM 1417 O O . HOH H 4 . ? 4.399 -4.940 -9.670 1.0 31.18 ? 2136 HOH H O 1 2136 . A HETATM 1418 O O . HOH H 4 . ? -11.594 1.075 12.432 1.0 32.15 ? 2137 HOH H O 1 2137 . A HETATM 1419 O O . HOH H 4 . ? 11.479 -15.096 -2.587 1.0 25.26 ? 2138 HOH H O 1 2138 . A HETATM 1420 O O . HOH H 4 . ? -1.891 28.145 7.732 1.0 45.44 ? 2139 HOH H O 1 2139 . A HETATM 1421 O O . HOH H 4 . ? 5.815 22.252 8.048 1.0 53.81 ? 2140 HOH H O 1 2140 . A HETATM 1422 O O . HOH H 4 . ? 4.642 24.688 11.403 1.0 38.64 ? 2141 HOH H O 1 2141 . A #