ATOM 1 N PRO A 1 -11.957 -0.023 3.607 1.00 0.94 N ATOM 2 CA PRO A 1 -10.784 -0.057 2.716 1.00 0.45 C ATOM 3 C PRO A 1 -9.506 0.189 3.513 1.00 0.37 C ATOM 4 O PRO A 1 -9.555 0.420 4.723 1.00 0.55 O ATOM 5 CB PRO A 1 -10.954 1.011 1.642 1.00 1.13 C ATOM 6 CG PRO A 1 -12.276 1.627 1.955 1.00 1.31 C ATOM 7 CD PRO A 1 -12.570 1.299 3.402 1.00 1.20 C ATOM 8 H2 PRO A 1 -11.590 -0.232 4.550 1.00 1.42 H ATOM 9 H3 PRO A 1 -12.503 -0.884 3.363 1.00 1.38 H ATOM 10 HA PRO A 1 -10.730 -1.032 2.253 1.00 1.10 H ATOM 11 HB2 PRO A 1 -10.149 1.728 1.710 1.00 1.56 H ATOM 12 HB3 PRO A 1 -10.956 0.550 0.664 1.00 1.61 H ATOM 13 HG2 PRO A 1 -12.226 2.697 1.816 1.00 2.09 H ATOM 14 HG3 PRO A 1 -13.034 1.203 1.316 1.00 1.47 H ATOM 15 HD2 PRO A 1 -12.120 2.034 4.054 1.00 1.99 H ATOM 16 HD3 PRO A 1 -13.637 1.254 3.567 1.00 1.32 H ATOM 17 N PHE A 2 -8.372 0.125 2.832 1.00 0.25 N ATOM 18 CA PHE A 2 -7.077 0.348 3.458 1.00 0.26 C ATOM 19 C PHE A 2 -6.374 1.516 2.775 1.00 0.26 C ATOM 20 O PHE A 2 -6.441 1.643 1.555 1.00 0.37 O ATOM 21 CB PHE A 2 -6.203 -0.906 3.348 1.00 0.34 C ATOM 22 CG PHE A 2 -6.842 -2.153 3.891 1.00 0.32 C ATOM 23 CD1 PHE A 2 -7.502 -3.030 3.047 1.00 0.31 C ATOM 24 CD2 PHE A 2 -6.791 -2.442 5.244 1.00 0.39 C ATOM 25 CE1 PHE A 2 -8.098 -4.174 3.543 1.00 0.32 C ATOM 26 CE2 PHE A 2 -7.384 -3.584 5.745 1.00 0.41 C ATOM 27 CZ PHE A 2 -8.010 -4.466 4.893 1.00 0.35 C ATOM 28 H PHE A 2 -8.403 -0.074 1.870 1.00 0.33 H ATOM 29 HA PHE A 2 -7.238 0.585 4.498 1.00 0.30 H ATOM 30 HB2 PHE A 2 -5.964 -1.079 2.309 1.00 0.39 H ATOM 31 HB3 PHE A 2 -5.288 -0.738 3.897 1.00 0.41 H ATOM 32 HD1 PHE A 2 -7.548 -2.812 1.990 1.00 0.36 H ATOM 33 HD2 PHE A 2 -6.279 -1.766 5.913 1.00 0.46 H ATOM 34 HE1 PHE A 2 -8.610 -4.850 2.875 1.00 0.36 H ATOM 35 HE2 PHE A 2 -7.337 -3.798 6.801 1.00 0.51 H ATOM 36 HZ PHE A 2 -8.464 -5.364 5.281 1.00 0.39 H HETATM 37 N 9KK A 3 -5.696 2.389 3.531 1.00 0.29 N HETATM 38 CE 9KK A 3 -5.103 8.556 3.309 1.00 0.99 C HETATM 39 CD 9KK A 3 -5.639 7.255 3.863 1.00 0.93 C HETATM 40 CG 9KK A 3 -5.056 6.075 3.099 1.00 0.85 C HETATM 41 CB 9KK A 3 -5.549 4.750 3.657 1.00 0.45 C HETATM 42 CA 9KK A 3 -5.000 3.527 2.916 1.00 0.31 C HETATM 43 CM 9KK A 3 -5.654 2.207 4.998 1.00 0.43 C HETATM 44 C 9KK A 3 -3.479 3.440 3.060 1.00 0.39 C HETATM 45 O 9KK A 3 -2.955 3.080 4.115 1.00 0.68 O HETATM 46 HE3 9KK A 3 -5.533 9.383 3.856 1.00 1.42 H HETATM 47 HE2 9KK A 3 -4.028 8.578 3.410 1.00 1.57 H HETATM 48 HE1 9KK A 3 -5.369 8.640 2.264 1.00 1.25 H HETATM 49 HD2 9KK A 3 -5.363 7.180 4.905 1.00 1.00 H HETATM 50 HD3 9KK A 3 -6.714 7.251 3.763 1.00 0.93 H HETATM 51 HG2 9KK A 3 -5.348 6.148 2.061 1.00 1.24 H HETATM 52 HG3 9KK A 3 -3.979 6.107 3.175 1.00 1.05 H HETATM 53 HB2 9KK A 3 -5.252 4.691 4.693 1.00 0.54 H HETATM 54 HB3 9KK A 3 -6.627 4.737 3.600 1.00 0.83 H HETATM 55 HA 9KK A 3 -5.245 3.605 1.866 1.00 0.24 H HETATM 56 HM1 9KK A 3 -4.840 2.784 5.406 1.00 1.10 H HETATM 57 HM3 9KK A 3 -6.583 2.543 5.429 1.00 0.98 H HETATM 58 HM2 9KK A 3 -5.503 1.162 5.227 1.00 1.22 H ATOM 59 N CYS A 4 -2.777 3.783 1.986 1.00 0.22 N ATOM 60 CA CYS A 4 -1.318 3.743 1.971 1.00 0.30 C ATOM 61 C CYS A 4 -0.715 4.682 3.018 1.00 0.67 C ATOM 62 O CYS A 4 0.339 4.397 3.583 1.00 1.71 O ATOM 63 CB CYS A 4 -0.786 4.091 0.577 1.00 0.29 C ATOM 64 SG CYS A 4 1.007 4.296 0.511 1.00 0.40 S ATOM 65 H CYS A 4 -3.259 4.058 1.174 1.00 0.25 H ATOM 66 HA CYS A 4 -1.020 2.736 2.209 1.00 0.57 H ATOM 67 HB2 CYS A 4 -1.051 3.301 -0.108 1.00 0.50 H ATOM 68 HB3 CYS A 4 -1.239 5.014 0.248 1.00 0.45 H ATOM 69 N THR A 5 -1.406 5.801 3.257 1.00 0.40 N ATOM 70 CA THR A 5 -1.028 6.809 4.263 1.00 0.47 C ATOM 71 C THR A 5 0.394 7.354 4.077 1.00 0.41 C ATOM 72 O THR A 5 0.927 8.013 4.967 1.00 0.54 O ATOM 73 CB THR A 5 -1.202 6.295 5.717 1.00 0.82 C ATOM 74 OG1 THR A 5 -0.471 5.080 5.934 1.00 1.39 O ATOM 75 CG2 THR A 5 -2.670 6.062 6.039 1.00 1.47 C ATOM 76 H THR A 5 -2.218 5.959 2.736 1.00 1.12 H ATOM 77 HA THR A 5 -1.710 7.638 4.133 1.00 0.62 H ATOM 78 HB THR A 5 -0.825 7.050 6.392 1.00 1.13 H ATOM 79 HG1 THR A 5 -0.046 4.809 5.106 1.00 1.89 H ATOM 80 HG21 THR A 5 -2.764 5.703 7.052 1.00 1.77 H ATOM 81 HG22 THR A 5 -3.077 5.328 5.358 1.00 2.12 H ATOM 82 HG23 THR A 5 -3.214 6.989 5.934 1.00 1.94 H ATOM 83 N TRP A 6 0.994 7.102 2.920 1.00 0.37 N ATOM 84 CA TRP A 6 2.329 7.602 2.635 1.00 0.47 C ATOM 85 C TRP A 6 2.248 9.065 2.223 1.00 0.61 C ATOM 86 O TRP A 6 1.365 9.446 1.451 1.00 0.63 O ATOM 87 CB TRP A 6 2.975 6.770 1.526 1.00 0.47 C ATOM 88 CG TRP A 6 4.441 7.009 1.366 1.00 0.60 C ATOM 89 CD1 TRP A 6 5.036 8.046 0.713 1.00 0.73 C ATOM 90 CD2 TRP A 6 5.500 6.182 1.857 1.00 0.67 C ATOM 91 NE1 TRP A 6 6.399 7.917 0.772 1.00 0.85 N ATOM 92 CE2 TRP A 6 6.710 6.782 1.469 1.00 0.82 C ATOM 93 CE3 TRP A 6 5.543 4.993 2.589 1.00 0.68 C ATOM 94 CZ2 TRP A 6 7.947 6.235 1.787 1.00 0.94 C ATOM 95 CZ3 TRP A 6 6.772 4.451 2.905 1.00 0.82 C ATOM 96 CH2 TRP A 6 7.957 5.073 2.505 1.00 0.94 C ATOM 97 H TRP A 6 0.531 6.571 2.247 1.00 0.38 H ATOM 98 HA TRP A 6 2.920 7.521 3.533 1.00 0.51 H ATOM 99 HB2 TRP A 6 2.833 5.724 1.742 1.00 0.43 H ATOM 100 HB3 TRP A 6 2.496 7.006 0.590 1.00 0.47 H ATOM 101 HD1 TRP A 6 4.499 8.845 0.227 1.00 0.78 H ATOM 102 HE1 TRP A 6 7.047 8.540 0.378 1.00 0.97 H ATOM 103 HE3 TRP A 6 4.636 4.500 2.905 1.00 0.61 H ATOM 104 HZ2 TRP A 6 8.874 6.702 1.487 1.00 1.06 H ATOM 105 HZ3 TRP A 6 6.825 3.534 3.470 1.00 0.88 H ATOM 106 HH2 TRP A 6 8.893 4.612 2.775 1.00 1.05 H HETATM 107 N AIB A 7 3.170 9.868 2.742 1.00 0.79 N HETATM 108 CA AIB A 7 3.186 11.315 2.506 1.00 0.99 C HETATM 109 C AIB A 7 3.203 11.610 1.000 1.00 0.94 C HETATM 110 O AIB A 7 4.171 11.289 0.306 1.00 0.94 O HETATM 111 CB1 AIB A 7 4.423 11.910 3.140 1.00 1.21 C HETATM 112 CB2 AIB A 7 1.981 11.959 3.173 1.00 1.13 C HETATM 113 H AIB A 7 3.870 9.475 3.303 1.00 0.83 H HETATM 114 HB11 AIB A 7 4.417 11.707 4.200 1.00 1.51 H HETATM 115 HB12 AIB A 7 4.433 12.978 2.978 1.00 1.83 H HETATM 116 HB13 AIB A 7 5.302 11.470 2.693 1.00 1.48 H HETATM 117 HB21 AIB A 7 1.988 13.023 2.986 1.00 1.35 H HETATM 118 HB22 AIB A 7 2.024 11.782 4.238 1.00 1.60 H HETATM 119 HB23 AIB A 7 1.075 11.527 2.775 1.00 1.63 H ATOM 120 N GLY A 8 2.128 12.205 0.500 1.00 0.95 N ATOM 121 CA GLY A 8 2.082 12.614 -0.886 1.00 0.93 C ATOM 122 C GLY A 8 1.479 11.563 -1.792 1.00 0.76 C ATOM 123 O GLY A 8 1.297 11.798 -2.988 1.00 0.83 O ATOM 124 H GLY A 8 1.354 12.362 1.080 1.00 1.01 H ATOM 125 HA2 GLY A 8 1.493 13.517 -0.959 1.00 1.03 H ATOM 126 HA3 GLY A 8 3.089 12.825 -1.218 1.00 0.99 H ATOM 127 N CYS A 9 1.157 10.410 -1.228 1.00 0.61 N ATOM 128 CA CYS A 9 0.622 9.311 -2.009 1.00 0.55 C ATOM 129 C CYS A 9 -0.906 9.344 -2.017 1.00 0.92 C ATOM 130 O CYS A 9 -1.517 9.731 -3.016 1.00 1.94 O ATOM 131 CB CYS A 9 1.132 7.979 -1.455 1.00 0.42 C ATOM 132 SG CYS A 9 0.735 6.559 -2.493 1.00 0.36 S ATOM 133 H CYS A 9 1.283 10.298 -0.259 1.00 0.60 H ATOM 134 HA CYS A 9 0.975 9.427 -3.022 1.00 0.54 H ATOM 135 HB2 CYS A 9 2.205 8.026 -1.357 1.00 0.40 H ATOM 136 HB3 CYS A 9 0.693 7.811 -0.483 1.00 0.62 H ATOM 137 N GLY A 10 -1.520 8.956 -0.905 1.00 0.51 N ATOM 138 CA GLY A 10 -2.970 8.978 -0.805 1.00 0.65 C ATOM 139 C GLY A 10 -3.645 7.971 -1.720 1.00 0.58 C ATOM 140 O GLY A 10 -4.418 8.344 -2.601 1.00 0.90 O ATOM 141 H GLY A 10 -0.986 8.665 -0.137 1.00 1.03 H ATOM 142 HA2 GLY A 10 -3.251 8.763 0.214 1.00 0.78 H ATOM 143 HA3 GLY A 10 -3.318 9.966 -1.060 1.00 0.82 H ATOM 144 N LYS A 11 -3.347 6.692 -1.518 1.00 0.37 N ATOM 145 CA LYS A 11 -3.973 5.627 -2.294 1.00 0.28 C ATOM 146 C LYS A 11 -4.801 4.719 -1.384 1.00 0.22 C ATOM 147 O LYS A 11 -4.406 4.469 -0.242 1.00 0.28 O ATOM 148 CB LYS A 11 -2.913 4.781 -3.011 1.00 0.36 C ATOM 149 CG LYS A 11 -2.081 5.536 -4.036 1.00 0.42 C ATOM 150 CD LYS A 11 -2.934 6.085 -5.169 1.00 0.67 C ATOM 151 CE LYS A 11 -2.073 6.576 -6.322 1.00 1.05 C ATOM 152 NZ LYS A 11 -2.873 7.289 -7.349 1.00 1.40 N1+ ATOM 153 H LYS A 11 -2.696 6.459 -0.832 1.00 0.51 H ATOM 154 HA LYS A 11 -4.622 6.082 -3.026 1.00 0.30 H ATOM 155 HB2 LYS A 11 -2.241 4.373 -2.269 1.00 0.43 H ATOM 156 HB3 LYS A 11 -3.408 3.963 -3.515 1.00 0.39 H ATOM 157 HG2 LYS A 11 -1.585 6.360 -3.543 1.00 0.81 H ATOM 158 HG3 LYS A 11 -1.342 4.863 -4.446 1.00 0.69 H ATOM 159 HD2 LYS A 11 -3.586 5.304 -5.528 1.00 0.84 H ATOM 160 HD3 LYS A 11 -3.524 6.909 -4.796 1.00 1.18 H ATOM 161 HE2 LYS A 11 -1.323 7.249 -5.934 1.00 1.67 H ATOM 162 HE3 LYS A 11 -1.591 5.727 -6.780 1.00 1.72 H ATOM 163 HZ1 LYS A 11 -2.279 7.510 -8.174 1.00 1.79 H ATOM 164 HZ2 LYS A 11 -3.245 8.180 -6.961 1.00 1.89 H ATOM 165 HZ3 LYS A 11 -3.670 6.699 -7.659 1.00 1.93 H HETATM 166 N MMO A 12 -5.958 4.222 -1.864 1.00 0.18 N HETATM 167 CA MMO A 12 -6.743 3.239 -1.087 1.00 0.17 C HETATM 168 C MMO A 12 -6.920 1.900 -1.810 1.00 0.14 C HETATM 169 O MMO A 12 -7.056 1.833 -3.035 1.00 0.25 O HETATM 170 CB MMO A 12 -8.102 3.902 -0.842 1.00 0.28 C HETATM 171 CG MMO A 12 -8.038 5.129 0.052 1.00 0.38 C HETATM 172 CD MMO A 12 -9.427 5.561 0.491 1.00 0.55 C HETATM 173 NE MMO A 12 -10.299 5.855 -0.645 1.00 1.09 N HETATM 174 CZ MMO A 12 -11.630 5.860 -0.581 1.00 1.58 C HETATM 175 NH2 MMO A 12 -12.247 5.601 0.566 1.00 1.59 N HETATM 176 NH1 MMO A 12 -12.343 6.129 -1.667 1.00 2.55 N HETATM 177 CN MMO A 12 -6.448 4.671 -3.188 1.00 0.27 C HETATM 178 HA MMO A 12 -6.268 3.050 -0.134 1.00 0.21 H HETATM 179 HCB1 MMO A 12 -8.756 3.182 -0.376 1.00 0.32 H HETATM 180 HCB2 MMO A 12 -8.524 4.196 -1.791 1.00 0.31 H HETATM 181 HCG1 MMO A 12 -7.574 5.939 -0.494 1.00 0.37 H HETATM 182 HCG2 MMO A 12 -7.450 4.897 0.927 1.00 0.41 H HETATM 183 HCD1 MMO A 12 -9.339 6.445 1.105 1.00 1.24 H HETATM 184 HCD2 MMO A 12 -9.867 4.764 1.070 1.00 1.20 H HETATM 185 HH21 MMO A 12 -11.715 5.398 1.393 1.00 1.64 H HETATM 186 HH22 MMO A 12 -13.249 5.610 0.615 1.00 2.05 H HETATM 187 HH11 MMO A 12 -13.346 6.133 -1.625 1.00 2.91 H HETATM 188 HC1 MMO A 12 -5.655 4.575 -3.915 1.00 1.00 H HETATM 189 HC2 MMO A 12 -6.760 5.702 -3.127 1.00 1.08 H HETATM 190 HC3 MMO A 12 -7.285 4.058 -3.489 1.00 1.02 H HETATM 191 HE MMO A 12 -9.866 6.061 -1.505 1.00 1.66 H HETATM 192 HH12 MMO A 12 -11.883 6.325 -2.539 1.00 3.06 H ATOM 193 N PHE A 13 -6.922 0.832 -1.033 1.00 0.13 N ATOM 194 CA PHE A 13 -6.963 -0.522 -1.564 1.00 0.12 C ATOM 195 C PHE A 13 -7.998 -1.351 -0.822 1.00 0.16 C ATOM 196 O PHE A 13 -8.295 -1.085 0.341 1.00 0.32 O ATOM 197 CB PHE A 13 -5.580 -1.157 -1.429 1.00 0.18 C ATOM 198 CG PHE A 13 -4.515 -0.358 -2.111 1.00 0.23 C ATOM 199 CD1 PHE A 13 -4.273 -0.526 -3.460 1.00 0.27 C ATOM 200 CD2 PHE A 13 -3.776 0.579 -1.408 1.00 0.28 C ATOM 201 CE1 PHE A 13 -3.313 0.227 -4.101 1.00 0.33 C ATOM 202 CE2 PHE A 13 -2.811 1.332 -2.042 1.00 0.35 C ATOM 203 CZ PHE A 13 -2.582 1.157 -3.392 1.00 0.36 C ATOM 204 H PHE A 13 -6.893 0.956 -0.058 1.00 0.24 H ATOM 205 HA PHE A 13 -7.231 -0.468 -2.607 1.00 0.13 H ATOM 206 HB2 PHE A 13 -5.322 -1.229 -0.381 1.00 0.22 H ATOM 207 HB3 PHE A 13 -5.594 -2.143 -1.865 1.00 0.19 H ATOM 208 HD1 PHE A 13 -4.847 -1.255 -4.012 1.00 0.28 H ATOM 209 HD2 PHE A 13 -3.958 0.716 -0.351 1.00 0.30 H ATOM 210 HE1 PHE A 13 -3.132 0.086 -5.154 1.00 0.38 H ATOM 211 HE2 PHE A 13 -2.242 2.060 -1.485 1.00 0.41 H ATOM 212 HZ PHE A 13 -1.830 1.747 -3.893 1.00 0.41 H ATOM 213 N THR A 14 -8.553 -2.350 -1.490 1.00 0.20 N ATOM 214 CA THR A 14 -9.570 -3.191 -0.878 1.00 0.26 C ATOM 215 C THR A 14 -8.944 -4.442 -0.259 1.00 0.18 C ATOM 216 O THR A 14 -9.629 -5.258 0.360 1.00 0.32 O ATOM 217 CB THR A 14 -10.672 -3.580 -1.895 1.00 0.46 C ATOM 218 OG1 THR A 14 -11.756 -4.243 -1.231 1.00 1.31 O ATOM 219 CG2 THR A 14 -10.119 -4.482 -2.992 1.00 0.93 C ATOM 220 H THR A 14 -8.280 -2.520 -2.420 1.00 0.30 H ATOM 221 HA THR A 14 -10.030 -2.617 -0.087 1.00 0.34 H ATOM 222 HB THR A 14 -11.048 -2.676 -2.353 1.00 1.25 H ATOM 223 HG1 THR A 14 -11.893 -5.113 -1.631 1.00 1.99 H ATOM 224 HG21 THR A 14 -9.294 -3.987 -3.483 1.00 1.54 H ATOM 225 HG22 THR A 14 -10.896 -4.688 -3.713 1.00 1.62 H ATOM 226 HG23 THR A 14 -9.778 -5.406 -2.557 1.00 1.52 H ATOM 227 N ARG A 15 -7.635 -4.578 -0.416 1.00 0.16 N ATOM 228 CA ARG A 15 -6.902 -5.695 0.160 1.00 0.16 C ATOM 229 C ARG A 15 -5.606 -5.206 0.783 1.00 0.14 C ATOM 230 O ARG A 15 -4.847 -4.461 0.160 1.00 0.14 O ATOM 231 CB ARG A 15 -6.593 -6.744 -0.908 1.00 0.29 C ATOM 232 CG ARG A 15 -7.820 -7.474 -1.423 1.00 0.31 C ATOM 233 CD ARG A 15 -7.500 -8.282 -2.668 1.00 0.92 C ATOM 234 NE ARG A 15 -8.674 -8.982 -3.184 1.00 1.27 N ATOM 235 CZ ARG A 15 -9.266 -8.698 -4.346 1.00 1.98 C ATOM 236 NH1 ARG A 15 -8.856 -7.668 -5.076 1.00 2.51 N1+ ATOM 237 NH2 ARG A 15 -10.295 -9.427 -4.763 1.00 2.55 N ATOM 238 H ARG A 15 -7.144 -3.907 -0.932 1.00 0.29 H ATOM 239 HA ARG A 15 -7.517 -6.138 0.929 1.00 0.19 H ATOM 240 HB2 ARG A 15 -6.113 -6.259 -1.743 1.00 0.36 H ATOM 241 HB3 ARG A 15 -5.916 -7.475 -0.490 1.00 0.38 H ATOM 242 HG2 ARG A 15 -8.178 -8.142 -0.653 1.00 0.57 H ATOM 243 HG3 ARG A 15 -8.584 -6.750 -1.657 1.00 0.65 H ATOM 244 HD2 ARG A 15 -7.126 -7.613 -3.429 1.00 1.45 H ATOM 245 HD3 ARG A 15 -6.739 -9.007 -2.426 1.00 1.50 H ATOM 246 HE ARG A 15 -9.027 -9.722 -2.643 1.00 1.47 H ATOM 247 HH11 ARG A 15 -8.093 -7.085 -4.757 1.00 2.52 H ATOM 248 HH12 ARG A 15 -9.298 -7.464 -5.954 1.00 3.13 H ATOM 249 HH21 ARG A 15 -10.632 -10.191 -4.206 1.00 2.68 H ATOM 250 HH22 ARG A 15 -10.738 -9.218 -5.638 1.00 3.07 H ATOM 251 N SER A 16 -5.361 -5.638 2.012 1.00 0.15 N ATOM 252 CA SER A 16 -4.178 -5.229 2.750 1.00 0.17 C ATOM 253 C SER A 16 -2.935 -5.859 2.138 1.00 0.15 C ATOM 254 O SER A 16 -1.859 -5.264 2.135 1.00 0.17 O ATOM 255 CB SER A 16 -4.308 -5.617 4.228 1.00 0.24 C ATOM 256 OG SER A 16 -3.258 -5.062 5.000 1.00 1.27 O ATOM 257 H SER A 16 -5.996 -6.259 2.433 1.00 0.17 H ATOM 258 HA SER A 16 -4.097 -4.157 2.672 1.00 0.18 H ATOM 259 HB2 SER A 16 -5.250 -5.252 4.612 1.00 1.04 H ATOM 260 HB3 SER A 16 -4.277 -6.692 4.319 1.00 1.05 H ATOM 261 HG SER A 16 -2.988 -5.691 5.678 1.00 1.61 H HETATM 262 OE1 B3D A 17 -2.321 -9.030 3.946 1.00 2.20 O HETATM 263 CD B3D A 17 -1.407 -9.046 3.096 1.00 1.42 C HETATM 264 OE2 B3D A 17 -0.196 -9.004 3.407 1.00 2.21 O HETATM 265 CG B3D A 17 -1.784 -9.124 1.626 1.00 0.28 C HETATM 266 CB B3D A 17 -1.984 -7.737 0.982 1.00 0.19 C HETATM 267 N B3D A 17 -3.084 -7.066 1.608 1.00 0.15 N HETATM 268 CA B3D A 17 -2.266 -7.980 -0.502 1.00 0.16 C HETATM 269 C B3D A 17 -1.890 -6.822 -1.387 1.00 0.15 C HETATM 270 O B3D A 17 -0.711 -6.562 -1.628 1.00 0.20 O HETATM 271 HG3 B3D A 17 -2.701 -9.685 1.541 1.00 1.07 H HETATM 272 HG2 B3D A 17 -1.000 -9.646 1.100 1.00 0.93 H HETATM 273 HB B3D A 17 -1.107 -7.069 1.104 1.00 0.20 H HETATM 274 H B3D A 17 -3.960 -7.507 1.650 1.00 0.16 H HETATM 275 HA1 B3D A 17 -1.710 -8.846 -0.825 1.00 0.22 H HETATM 276 HA2 B3D A 17 -3.320 -8.171 -0.629 1.00 0.15 H ATOM 277 N GLU A 18 -2.913 -6.110 -1.855 1.00 0.14 N ATOM 278 CA GLU A 18 -2.739 -4.963 -2.738 1.00 0.21 C ATOM 279 C GLU A 18 -1.955 -3.848 -2.062 1.00 0.15 C ATOM 280 O GLU A 18 -1.080 -3.245 -2.674 1.00 0.18 O ATOM 281 CB GLU A 18 -4.099 -4.420 -3.168 1.00 0.39 C ATOM 282 CG GLU A 18 -4.893 -5.363 -4.053 1.00 0.56 C ATOM 283 CD GLU A 18 -6.291 -4.848 -4.332 1.00 1.75 C ATOM 284 OE1 GLU A 18 -7.226 -5.671 -4.428 1.00 2.68 O ATOM 285 OE2 GLU A 18 -6.461 -3.618 -4.455 1.00 2.01 O1- ATOM 286 H GLU A 18 -3.820 -6.370 -1.600 1.00 0.13 H ATOM 287 HA GLU A 18 -2.199 -5.291 -3.610 1.00 0.29 H ATOM 288 HB2 GLU A 18 -4.685 -4.220 -2.283 1.00 0.42 H ATOM 289 HB3 GLU A 18 -3.949 -3.496 -3.705 1.00 0.44 H ATOM 290 HG2 GLU A 18 -4.374 -5.479 -4.992 1.00 0.84 H ATOM 291 HG3 GLU A 18 -4.969 -6.320 -3.563 1.00 0.95 H ATOM 292 N LEU A 19 -2.286 -3.566 -0.808 1.00 0.15 N ATOM 293 CA LEU A 19 -1.627 -2.501 -0.066 1.00 0.17 C ATOM 294 C LEU A 19 -0.142 -2.797 0.121 1.00 0.16 C ATOM 295 O LEU A 19 0.704 -1.963 -0.187 1.00 0.19 O ATOM 296 CB LEU A 19 -2.299 -2.305 1.294 1.00 0.22 C ATOM 297 CG LEU A 19 -1.618 -1.297 2.222 1.00 0.31 C ATOM 298 CD1 LEU A 19 -1.610 0.094 1.605 1.00 0.69 C ATOM 299 CD2 LEU A 19 -2.307 -1.273 3.576 1.00 0.86 C ATOM 300 H LEU A 19 -3.000 -4.082 -0.372 1.00 0.16 H ATOM 301 HA LEU A 19 -1.727 -1.593 -0.639 1.00 0.21 H ATOM 302 HB2 LEU A 19 -3.315 -1.979 1.123 1.00 0.26 H ATOM 303 HB3 LEU A 19 -2.326 -3.260 1.797 1.00 0.20 H ATOM 304 HG LEU A 19 -0.593 -1.600 2.375 1.00 0.82 H ATOM 305 HD11 LEU A 19 -2.625 0.427 1.451 1.00 1.31 H ATOM 306 HD12 LEU A 19 -1.093 0.066 0.657 1.00 1.20 H ATOM 307 HD13 LEU A 19 -1.104 0.774 2.269 1.00 1.31 H ATOM 308 HD21 LEU A 19 -1.806 -0.568 4.223 1.00 1.38 H ATOM 309 HD22 LEU A 19 -2.269 -2.257 4.018 1.00 1.53 H ATOM 310 HD23 LEU A 19 -3.335 -0.975 3.449 1.00 1.36 H ATOM 311 N GLN A 20 0.165 -3.986 0.620 1.00 0.16 N ATOM 312 CA GLN A 20 1.548 -4.385 0.855 1.00 0.21 C ATOM 313 C GLN A 20 2.313 -4.520 -0.461 1.00 0.16 C ATOM 314 O GLN A 20 3.293 -3.805 -0.701 1.00 0.16 O ATOM 315 CB GLN A 20 1.594 -5.702 1.633 1.00 0.30 C ATOM 316 CG GLN A 20 2.998 -6.135 2.023 1.00 0.37 C ATOM 317 CD GLN A 20 3.716 -5.136 2.914 1.00 1.09 C ATOM 318 OE1 GLN A 20 4.942 -5.032 2.870 1.00 1.82 O ATOM 319 NE2 GLN A 20 2.970 -4.406 3.730 1.00 1.83 N ATOM 320 H GLN A 20 -0.561 -4.607 0.851 1.00 0.16 H ATOM 321 HA GLN A 20 2.016 -3.614 1.446 1.00 0.27 H ATOM 322 HB2 GLN A 20 1.011 -5.595 2.533 1.00 0.35 H ATOM 323 HB3 GLN A 20 1.159 -6.479 1.026 1.00 0.30 H ATOM 324 HG2 GLN A 20 2.937 -7.076 2.549 1.00 0.90 H ATOM 325 HG3 GLN A 20 3.579 -6.268 1.122 1.00 1.00 H ATOM 326 HE21 GLN A 20 1.997 -4.542 3.721 1.00 2.08 H ATOM 327 HE22 GLN A 20 3.421 -3.759 4.316 1.00 2.45 H HETATM 328 N HMR A 21 1.866 -5.428 -1.318 1.00 0.18 N HETATM 329 CA HMR A 21 2.508 -5.625 -2.588 1.00 0.19 C HETATM 330 CB HMR A 21 2.605 -7.128 -2.892 1.00 0.29 C HETATM 331 CG HMR A 21 3.509 -7.898 -1.942 1.00 0.51 C HETATM 332 CD HMR A 21 3.605 -9.368 -2.334 1.00 0.94 C HETATM 333 NE HMR A 21 4.636 -10.073 -1.572 1.00 1.75 N HETATM 334 CZ HMR A 21 4.927 -11.365 -1.722 1.00 2.14 C HETATM 335 NH1 HMR A 21 4.264 -12.107 -2.600 1.00 1.94 N HETATM 336 NH2 HMR A 21 5.898 -11.911 -1.001 1.00 3.01 N HETATM 337 C HMR A 21 2.131 -3.610 -4.071 1.00 0.17 C HETATM 338 O HMR A 21 3.072 -3.404 -4.842 1.00 0.27 O HETATM 339 CH2 HMR A 21 1.692 -5.002 -3.718 1.00 0.16 C HETATM 340 H HMR A 21 1.068 -5.960 -1.091 1.00 0.22 H HETATM 341 HA HMR A 21 3.499 -5.134 -2.516 1.00 0.23 H HETATM 342 HB2 HMR A 21 2.984 -7.254 -3.894 1.00 0.35 H HETATM 343 HB3 HMR A 21 1.616 -7.553 -2.836 1.00 0.29 H HETATM 344 HG2 HMR A 21 3.105 -7.828 -0.943 1.00 0.69 H HETATM 345 HG3 HMR A 21 4.496 -7.463 -1.965 1.00 0.87 H HETATM 346 HD2 HMR A 21 3.842 -9.432 -3.386 1.00 1.35 H HETATM 347 HD3 HMR A 21 2.651 -9.842 -2.152 1.00 1.23 H HETATM 348 HE HMR A 21 5.141 -9.550 -0.907 1.00 2.22 H HETATM 349 HH1 HMR A 21 3.536 -11.699 -3.159 1.00 1.68 H HETATM 350 HH21 HMR A 21 6.123 -12.884 -1.109 1.00 3.31 H HETATM 351 HH22 HMR A 21 6.415 -11.354 -0.346 1.00 3.45 H HETATM 352 HC1 HMR A 21 1.786 -5.619 -4.597 1.00 0.19 H HETATM 353 HC2 HMR A 21 0.653 -4.962 -3.420 1.00 0.14 H HETATM 354 HH2 HMR A 21 4.485 -13.080 -2.710 1.00 2.33 H ATOM 355 N HIS A 22 1.449 -2.645 -3.472 1.00 0.15 N ATOM 356 CA HIS A 22 1.680 -1.238 -3.735 1.00 0.15 C ATOM 357 C HIS A 22 2.861 -0.697 -2.937 1.00 0.13 C ATOM 358 O HIS A 22 3.758 -0.086 -3.512 1.00 0.12 O ATOM 359 CB HIS A 22 0.421 -0.436 -3.406 1.00 0.20 C ATOM 360 CG HIS A 22 0.657 1.039 -3.359 1.00 0.16 C ATOM 361 ND1 HIS A 22 0.600 1.878 -4.465 1.00 0.20 N ATOM 362 CD2 HIS A 22 1.004 1.821 -2.307 1.00 0.17 C ATOM 363 CE1 HIS A 22 0.921 3.116 -4.054 1.00 0.21 C ATOM 364 NE2 HIS A 22 1.167 3.102 -2.767 1.00 0.18 N ATOM 365 H HIS A 22 0.748 -2.896 -2.829 1.00 0.18 H ATOM 366 HA HIS A 22 1.895 -1.131 -4.785 1.00 0.16 H ATOM 367 HB2 HIS A 22 -0.328 -0.629 -4.157 1.00 0.25 H ATOM 368 HB3 HIS A 22 0.046 -0.746 -2.442 1.00 0.25 H ATOM 369 HD1 HIS A 22 0.358 1.614 -5.381 1.00 0.24 H ATOM 370 HD2 HIS A 22 1.125 1.505 -1.282 1.00 0.21 H ATOM 371 HE1 HIS A 22 0.973 3.988 -4.687 1.00 0.27 H ATOM 372 N LYS A 23 2.840 -0.898 -1.617 1.00 0.18 N ATOM 373 CA LYS A 23 3.865 -0.344 -0.732 1.00 0.19 C ATOM 374 C LYS A 23 5.247 -0.676 -1.268 1.00 0.17 C ATOM 375 O LYS A 23 6.134 0.186 -1.334 1.00 0.18 O ATOM 376 CB LYS A 23 3.702 -0.880 0.696 1.00 0.27 C ATOM 377 CG LYS A 23 4.652 -0.246 1.707 1.00 0.73 C ATOM 378 CD LYS A 23 4.281 1.199 2.023 1.00 0.61 C ATOM 379 CE LYS A 23 2.947 1.294 2.756 1.00 0.85 C ATOM 380 NZ LYS A 23 2.655 2.682 3.210 1.00 1.01 N1+ ATOM 381 H LYS A 23 2.117 -1.441 -1.227 1.00 0.22 H ATOM 382 HA LYS A 23 3.747 0.728 -0.725 1.00 0.20 H ATOM 383 HB2 LYS A 23 2.690 -0.693 1.021 1.00 0.78 H ATOM 384 HB3 LYS A 23 3.876 -1.946 0.690 1.00 0.73 H ATOM 385 HG2 LYS A 23 4.621 -0.820 2.621 1.00 1.26 H ATOM 386 HG3 LYS A 23 5.653 -0.268 1.301 1.00 1.25 H ATOM 387 HD2 LYS A 23 5.052 1.629 2.646 1.00 0.85 H ATOM 388 HD3 LYS A 23 4.216 1.751 1.099 1.00 0.88 H ATOM 389 HE2 LYS A 23 2.159 0.972 2.090 1.00 1.56 H ATOM 390 HE3 LYS A 23 2.976 0.642 3.616 1.00 1.39 H ATOM 391 HZ1 LYS A 23 3.396 3.007 3.868 1.00 1.57 H ATOM 392 HZ2 LYS A 23 1.740 2.713 3.704 1.00 1.30 H ATOM 393 HZ3 LYS A 23 2.618 3.329 2.400 1.00 1.62 H HETATM 394 N HMR A 24 5.420 -1.921 -1.677 1.00 0.18 N HETATM 395 CA HMR A 24 6.662 -2.350 -2.248 1.00 0.20 C HETATM 396 CB HMR A 24 6.970 -3.767 -1.742 1.00 0.30 C HETATM 397 CG HMR A 24 8.257 -4.361 -2.283 1.00 0.34 C HETATM 398 CD HMR A 24 8.627 -5.638 -1.546 1.00 0.50 C HETATM 399 NE HMR A 24 9.837 -6.250 -2.089 1.00 0.95 N HETATM 400 CZ HMR A 24 10.750 -6.880 -1.351 1.00 1.35 C HETATM 401 NH1 HMR A 24 11.824 -7.394 -1.933 1.00 1.85 N HETATM 402 NH2 HMR A 24 10.594 -6.991 -0.036 1.00 1.46 N HETATM 403 C HMR A 24 7.142 -1.189 -4.466 1.00 0.18 C HETATM 404 O HMR A 24 8.269 -1.215 -4.963 1.00 0.27 O HETATM 405 CH2 HMR A 24 6.557 -2.400 -3.776 1.00 0.21 C HETATM 406 H HMR A 24 4.678 -2.568 -1.584 1.00 0.21 H HETATM 407 HA HMR A 24 7.421 -1.610 -1.938 1.00 0.21 H HETATM 408 HB2 HMR A 24 6.154 -4.417 -2.023 1.00 0.35 H HETATM 409 HB3 HMR A 24 7.039 -3.740 -0.667 1.00 0.37 H HETATM 410 HG2 HMR A 24 9.054 -3.645 -2.165 1.00 0.40 H HETATM 411 HG3 HMR A 24 8.125 -4.590 -3.328 1.00 0.38 H HETATM 412 HD2 HMR A 24 7.809 -6.338 -1.632 1.00 0.63 H HETATM 413 HD3 HMR A 24 8.790 -5.402 -0.506 1.00 0.77 H HETATM 414 HE HMR A 24 9.966 -6.199 -3.066 1.00 1.18 H HETATM 415 HH1 HMR A 24 11.949 -7.307 -2.928 1.00 2.03 H HETATM 416 HH21 HMR A 24 9.785 -6.598 0.412 1.00 1.35 H HETATM 417 HH22 HMR A 24 11.282 -7.465 0.518 1.00 1.83 H HETATM 418 HC1 HMR A 24 7.076 -3.271 -4.133 1.00 0.28 H HETATM 419 HC2 HMR A 24 5.516 -2.473 -4.053 1.00 0.23 H HETATM 420 HH2 HMR A 24 12.516 -7.870 -1.388 1.00 2.15 H ATOM 421 N THR A 25 6.359 -0.114 -4.491 1.00 0.16 N ATOM 422 CA THR A 25 6.742 1.111 -5.172 1.00 0.23 C ATOM 423 C THR A 25 7.633 1.981 -4.292 1.00 0.22 C ATOM 424 O THR A 25 8.693 2.437 -4.726 1.00 0.34 O ATOM 425 CB THR A 25 5.503 1.925 -5.599 1.00 0.34 C ATOM 426 OG1 THR A 25 4.682 2.216 -4.457 1.00 1.33 O ATOM 427 CG2 THR A 25 4.681 1.175 -6.635 1.00 1.09 C ATOM 428 H THR A 25 5.490 -0.151 -4.037 1.00 0.17 H ATOM 429 HA THR A 25 7.289 0.840 -6.060 1.00 0.30 H ATOM 430 HB THR A 25 5.839 2.855 -6.032 1.00 0.94 H ATOM 431 HG1 THR A 25 4.131 1.446 -4.251 1.00 1.98 H ATOM 432 HG21 THR A 25 5.283 1.000 -7.514 1.00 1.66 H ATOM 433 HG22 THR A 25 3.816 1.765 -6.902 1.00 1.47 H ATOM 434 HG23 THR A 25 4.360 0.230 -6.224 1.00 1.67 H ATOM 435 N HIS A 26 7.212 2.198 -3.051 1.00 0.20 N ATOM 436 CA HIS A 26 7.969 3.038 -2.136 1.00 0.25 C ATOM 437 C HIS A 26 9.144 2.248 -1.583 1.00 0.30 C ATOM 438 O HIS A 26 10.241 2.775 -1.392 1.00 0.38 O ATOM 439 CB HIS A 26 7.102 3.525 -0.966 1.00 0.25 C ATOM 440 CG HIS A 26 5.822 4.212 -1.348 1.00 0.24 C ATOM 441 ND1 HIS A 26 5.732 5.523 -1.812 1.00 0.29 N ATOM 442 CD2 HIS A 26 4.546 3.762 -1.254 1.00 0.25 C ATOM 443 CE1 HIS A 26 4.424 5.818 -1.966 1.00 0.30 C ATOM 444 NE2 HIS A 26 3.698 4.780 -1.637 1.00 0.25 N ATOM 445 H HIS A 26 6.382 1.768 -2.741 1.00 0.24 H ATOM 446 HA HIS A 26 8.339 3.889 -2.687 1.00 0.31 H ATOM 447 HB2 HIS A 26 6.838 2.675 -0.356 1.00 0.27 H ATOM 448 HB3 HIS A 26 7.679 4.217 -0.369 1.00 0.28 H ATOM 449 HD1 HIS A 26 6.488 6.129 -1.985 1.00 0.33 H ATOM 450 HD2 HIS A 26 4.236 2.779 -0.938 1.00 0.28 H ATOM 451 HE1 HIS A 26 4.034 6.766 -2.306 1.00 0.37 H HETATM 452 CG B3T A 27 9.486 -0.439 0.580 1.00 0.60 C HETATM 453 OD1 B3T A 27 8.184 -1.027 0.485 1.00 0.76 O HETATM 454 CD2 B3T A 27 9.459 0.688 1.596 1.00 0.76 C HETATM 455 CB B3T A 27 9.917 0.077 -0.800 1.00 0.46 C HETATM 456 N B3T A 27 8.901 0.967 -1.343 1.00 0.36 N HETATM 457 CA B3T A 27 10.172 -1.097 -1.749 1.00 0.62 C HETATM 458 C B3T A 27 11.647 -1.437 -1.878 1.00 0.82 C HETATM 459 O B3T A 27 12.497 -0.781 -1.279 1.00 1.03 O HETATM 460 HG B3T A 27 10.192 -1.188 0.909 1.00 0.67 H HETATM 461 HOD1 B3T A 27 7.606 -0.442 -0.019 1.00 1.25 H HETATM 462 H1D2 B3T A 27 9.121 0.307 2.548 1.00 1.25 H HETATM 463 H2D2 B3T A 27 8.787 1.461 1.257 1.00 1.43 H HETATM 464 H3D2 B3T A 27 10.452 1.099 1.705 1.00 1.15 H HETATM 465 HB B3T A 27 10.827 0.641 -0.680 1.00 0.52 H HETATM 466 HN B3T A 27 8.006 0.611 -1.535 1.00 0.39 H HETATM 467 HA B3T A 27 9.793 -0.846 -2.728 1.00 0.63 H HETATM 468 HAA B3T A 27 9.653 -1.966 -1.377 1.00 0.70 H ATOM 469 N GLY A 28 11.950 -2.468 -2.663 1.00 1.30 N ATOM 470 CA GLY A 28 13.332 -2.846 -2.899 1.00 1.53 C ATOM 471 C GLY A 28 14.031 -3.349 -1.651 1.00 1.68 C ATOM 472 O GLY A 28 15.164 -2.956 -1.370 1.00 2.18 O ATOM 473 H GLY A 28 11.227 -2.975 -3.091 1.00 1.67 H ATOM 474 HA2 GLY A 28 13.357 -3.623 -3.648 1.00 1.86 H ATOM 475 HA3 GLY A 28 13.867 -1.986 -3.273 1.00 1.58 H ATOM 476 N GLU A 29 13.344 -4.209 -0.899 1.00 1.96 N ATOM 477 CA GLU A 29 13.889 -4.791 0.329 1.00 2.41 C ATOM 478 C GLU A 29 14.281 -3.687 1.311 1.00 2.39 C ATOM 479 O GLU A 29 15.416 -3.624 1.789 1.00 3.19 O ATOM 480 CB GLU A 29 15.093 -5.692 0.016 1.00 3.15 C ATOM 481 CG GLU A 29 15.502 -6.591 1.171 1.00 3.91 C ATOM 482 CD GLU A 29 16.771 -7.367 0.892 1.00 4.36 C ATOM 483 OE1 GLU A 29 17.863 -6.874 1.252 1.00 4.89 O ATOM 484 OE2 GLU A 29 16.688 -8.476 0.323 1.00 4.51 O1- ATOM 485 H GLU A 29 12.434 -4.451 -1.173 1.00 2.25 H ATOM 486 HA GLU A 29 13.111 -5.392 0.779 1.00 2.64 H ATOM 487 HB2 GLU A 29 14.851 -6.315 -0.829 1.00 3.38 H ATOM 488 HB3 GLU A 29 15.934 -5.067 -0.239 1.00 3.49 H ATOM 489 HG2 GLU A 29 15.658 -5.980 2.046 1.00 4.30 H ATOM 490 HG3 GLU A 29 14.705 -7.293 1.361 1.00 4.26 H ATOM 491 N LYS A 30 13.335 -2.807 1.594 1.00 1.95 N ATOM 492 CA LYS A 30 13.566 -1.705 2.510 1.00 2.32 C ATOM 493 C LYS A 30 12.591 -1.789 3.676 1.00 2.89 C ATOM 494 O LYS A 30 11.482 -1.254 3.623 1.00 3.15 O ATOM 495 CB LYS A 30 13.419 -0.364 1.784 1.00 2.23 C ATOM 496 CG LYS A 30 13.802 0.837 2.630 1.00 2.98 C ATOM 497 CD LYS A 30 13.617 2.134 1.864 1.00 3.35 C ATOM 498 CE LYS A 30 14.019 3.336 2.702 1.00 3.96 C ATOM 499 NZ LYS A 30 13.774 4.613 1.988 1.00 4.54 N1+ ATOM 500 H LYS A 30 12.451 -2.907 1.179 1.00 1.83 H ATOM 501 HA LYS A 30 14.573 -1.794 2.890 1.00 2.86 H ATOM 502 HB2 LYS A 30 14.048 -0.372 0.907 1.00 2.41 H ATOM 503 HB3 LYS A 30 12.391 -0.246 1.476 1.00 2.30 H ATOM 504 HG2 LYS A 30 13.183 0.858 3.515 1.00 3.30 H ATOM 505 HG3 LYS A 30 14.839 0.745 2.916 1.00 3.48 H ATOM 506 HD2 LYS A 30 14.232 2.106 0.978 1.00 3.50 H ATOM 507 HD3 LYS A 30 12.578 2.233 1.583 1.00 3.54 H ATOM 508 HE2 LYS A 30 13.448 3.331 3.618 1.00 4.07 H ATOM 509 HE3 LYS A 30 15.071 3.259 2.934 1.00 4.35 H ATOM 510 HZ1 LYS A 30 14.065 5.415 2.582 1.00 4.69 H ATOM 511 HZ2 LYS A 30 12.764 4.713 1.765 1.00 4.86 H ATOM 512 HZ3 LYS A 30 14.317 4.640 1.101 1.00 4.84 H HETATM 513 N NH2 A 31 12.999 -2.482 4.721 1.00 3.54 N HETATM 514 HN1 NH2 A 31 13.896 -2.879 4.689 1.00 3.61 H HETATM 515 HN2 NH2 A 31 12.392 -2.571 5.484 1.00 4.13 H TER 516 NH2 A 31 HETATM 517 ZN ZN A 101 1.702 4.656 -1.650 1.00 0.26 ZN