ATOM 39 N CYS A 3 2.890 -0.782 -5.901 1.00 0.46 N ATOM 40 CA CYS A 3 2.300 -0.858 -7.267 1.00 0.37 C ATOM 41 C CYS A 3 1.632 -2.205 -7.517 1.00 0.43 C ATOM 42 O CYS A 3 0.663 -2.276 -8.238 1.00 0.68 O ATOM 43 CB CYS A 3 3.432 -0.672 -8.281 1.00 0.23 C ATOM 44 SG CYS A 3 4.439 0.824 -8.136 1.00 0.19 S ATOM 45 H CYS A 3 3.844 -0.586 -5.788 1.00 0.72 H ATOM 46 HA CYS A 3 1.553 -0.078 -7.376 1.00 0.42 H ATOM 47 HB2 CYS A 3 4.095 -1.522 -8.207 1.00 0.23 H ATOM 48 HB3 CYS A 3 3.000 -0.681 -9.270 1.00 0.20 H ATOM 49 N CYS A 4 2.163 -3.244 -6.927 1.00 0.44 N ATOM 50 CA CYS A 4 1.556 -4.588 -7.132 1.00 0.42 C ATOM 51 C CYS A 4 0.662 -4.972 -5.958 1.00 0.41 C ATOM 52 O CYS A 4 0.004 -5.992 -5.992 1.00 0.44 O ATOM 53 CB CYS A 4 2.682 -5.621 -7.249 1.00 0.48 C ATOM 54 SG CYS A 4 3.929 -5.343 -8.527 1.00 0.44 S ATOM 55 H CYS A 4 2.958 -3.140 -6.362 1.00 0.64 H ATOM 56 HA CYS A 4 0.951 -4.572 -8.040 1.00 0.46 H ATOM 57 HB2 CYS A 4 3.193 -5.673 -6.297 1.00 0.78 H ATOM 58 HB3 CYS A 4 2.234 -6.587 -7.433 1.00 0.88 H ATOM 59 N THR A 5 0.660 -4.168 -4.930 1.00 0.47 N ATOM 60 CA THR A 5 -0.203 -4.515 -3.772 1.00 0.60 C ATOM 61 C THR A 5 -1.653 -4.118 -4.092 1.00 0.47 C ATOM 62 O THR A 5 -1.881 -3.086 -4.689 1.00 0.61 O ATOM 63 CB THR A 5 0.254 -3.700 -2.554 1.00 0.99 C ATOM 64 OG1 THR A 5 1.635 -3.474 -2.751 1.00 1.16 O ATOM 65 CG2 THR A 5 0.176 -4.500 -1.237 1.00 1.27 C ATOM 66 H THR A 5 1.212 -3.358 -4.922 1.00 0.46 H ATOM 67 HA THR A 5 -0.113 -5.576 -3.606 1.00 0.71 H ATOM 68 HB THR A 5 -0.283 -2.764 -2.495 1.00 1.06 H ATOM 69 HG1 THR A 5 2.078 -4.326 -2.767 1.00 1.03 H ATOM 70 HG21 THR A 5 -0.820 -4.418 -0.816 1.00 1.26 H ATOM 71 HG22 THR A 5 0.405 -5.541 -1.410 1.00 1.27 H ATOM 72 HG23 THR A 5 0.887 -4.098 -0.530 1.00 1.54 H ATOM 103 N LYS A 8 -3.428 -2.779 -7.125 1.00 0.99 N ATOM 104 CA LYS A 8 -2.122 -2.550 -7.804 1.00 0.86 C ATOM 105 C LYS A 8 -2.102 -1.152 -8.431 1.00 0.81 C ATOM 106 O LYS A 8 -2.955 -0.827 -9.232 1.00 1.63 O ATOM 107 CB LYS A 8 -1.947 -3.597 -8.922 1.00 1.01 C ATOM 108 CG LYS A 8 -2.217 -4.999 -8.368 1.00 1.09 C ATOM 109 CD LYS A 8 -2.201 -6.006 -9.523 1.00 1.14 C ATOM 110 CE LYS A 8 -1.595 -7.323 -9.033 1.00 1.59 C ATOM 111 NZ LYS A 8 -1.918 -8.428 -9.981 1.00 2.96 N ATOM 112 H LYS A 8 -4.025 -3.498 -7.419 1.00 1.10 H ATOM 113 HA LYS A 8 -1.327 -2.625 -7.071 1.00 0.72 H ATOM 114 HB2 LYS A 8 -2.634 -3.390 -9.722 1.00 1.16 H ATOM 115 HB3 LYS A 8 -0.942 -3.552 -9.310 1.00 0.95 H ATOM 116 HG2 LYS A 8 -1.455 -5.257 -7.653 1.00 1.23 H ATOM 117 HG3 LYS A 8 -3.180 -5.024 -7.883 1.00 1.04 H ATOM 118 HD2 LYS A 8 -3.210 -6.176 -9.867 1.00 0.74 H ATOM 119 HD3 LYS A 8 -1.610 -5.615 -10.337 1.00 1.40 H ATOM 120 HE2 LYS A 8 -0.523 -7.223 -8.960 1.00 1.72 H ATOM 121 HE3 LYS A 8 -1.995 -7.567 -8.058 1.00 1.38 H ATOM 122 HZ1 LYS A 8 -2.752 -8.947 -9.638 1.00 3.07 H ATOM 123 HZ2 LYS A 8 -2.121 -8.031 -10.921 1.00 3.02 H ATOM 124 HZ3 LYS A 8 -1.106 -9.075 -10.048 1.00 4.22 H ATOM 125 N LYS A 9 -1.137 -0.347 -8.062 1.00 0.58 N ATOM 126 CA LYS A 9 -1.088 1.022 -8.650 1.00 0.64 C ATOM 127 C LYS A 9 -0.338 1.035 -9.981 1.00 0.69 C ATOM 128 O LYS A 9 0.651 1.722 -10.135 1.00 1.62 O ATOM 129 CB LYS A 9 -0.394 1.983 -7.667 1.00 0.63 C ATOM 130 CG LYS A 9 -0.717 1.561 -6.229 1.00 2.14 C ATOM 131 CD LYS A 9 -0.764 2.797 -5.322 1.00 2.03 C ATOM 132 CE LYS A 9 -2.195 3.338 -5.281 1.00 2.03 C ATOM 133 NZ LYS A 9 -2.761 3.436 -6.655 1.00 2.14 N ATOM 134 H LYS A 9 -0.462 -0.636 -7.414 1.00 1.17 H ATOM 135 HA LYS A 9 -2.100 1.343 -8.830 1.00 0.71 H ATOM 136 HB2 LYS A 9 0.671 1.966 -7.822 1.00 1.74 H ATOM 137 HB3 LYS A 9 -0.753 2.986 -7.842 1.00 1.71 H ATOM 138 HG2 LYS A 9 -1.675 1.062 -6.202 1.00 1.36 H ATOM 139 HG3 LYS A 9 0.044 0.882 -5.872 1.00 3.32 H ATOM 140 HD2 LYS A 9 -0.453 2.526 -4.326 1.00 2.01 H ATOM 141 HD3 LYS A 9 -0.097 3.558 -5.704 1.00 2.00 H ATOM 142 HE2 LYS A 9 -2.815 2.679 -4.691 1.00 3.90 H ATOM 143 HE3 LYS A 9 -2.197 4.320 -4.828 1.00 2.56 H ATOM 144 HZ1 LYS A 9 -2.464 2.607 -7.211 1.00 3.56 H ATOM 145 HZ2 LYS A 9 -3.798 3.463 -6.603 1.00 2.10 H ATOM 146 HZ3 LYS A 9 -2.412 4.304 -7.112 1.00 2.61 H ATOM 147 N CYS A 10 -0.839 0.287 -10.928 1.00 0.48 N ATOM 148 CA CYS A 10 -0.167 0.245 -12.256 1.00 0.40 C ATOM 149 C CYS A 10 -0.618 1.407 -13.133 1.00 0.48 C ATOM 150 O CYS A 10 -0.676 1.294 -14.343 1.00 0.58 O ATOM 151 CB CYS A 10 -0.523 -1.082 -12.935 1.00 0.42 C ATOM 152 SG CYS A 10 0.317 -2.556 -12.319 1.00 0.27 S ATOM 153 H CYS A 10 -1.648 -0.240 -10.766 1.00 1.18 H ATOM 154 HA CYS A 10 0.906 0.319 -12.107 1.00 0.32 H ATOM 155 HB2 CYS A 10 -1.584 -1.245 -12.836 1.00 0.57 H ATOM 156 HB3 CYS A 10 -0.300 -0.995 -13.989 1.00 0.46 H ATOM 157 N LYS A 11 -0.927 2.503 -12.493 1.00 0.51 N ATOM 158 CA LYS A 11 -1.378 3.707 -13.239 1.00 0.60 C ATOM 159 C LYS A 11 -0.389 4.843 -13.009 1.00 0.78 C ATOM 160 O LYS A 11 -0.502 5.903 -13.591 1.00 1.34 O ATOM 161 CB LYS A 11 -2.751 4.129 -12.704 1.00 0.69 C ATOM 162 CG LYS A 11 -3.723 4.261 -13.879 1.00 0.60 C ATOM 163 CD LYS A 11 -5.051 4.821 -13.365 1.00 1.40 C ATOM 164 CE LYS A 11 -5.980 5.070 -14.554 1.00 2.26 C ATOM 165 NZ LYS A 11 -6.275 6.524 -14.688 1.00 2.36 N ATOM 166 H LYS A 11 -0.864 2.530 -11.515 1.00 0.52 H ATOM 167 HA LYS A 11 -1.423 3.482 -14.298 1.00 0.53 H ATOM 168 HB2 LYS A 11 -3.116 3.388 -12.010 1.00 1.28 H ATOM 169 HB3 LYS A 11 -2.666 5.078 -12.196 1.00 1.44 H ATOM 170 HG2 LYS A 11 -3.310 4.929 -14.619 1.00 1.13 H ATOM 171 HG3 LYS A 11 -3.887 3.292 -14.325 1.00 0.89 H ATOM 172 HD2 LYS A 11 -5.507 4.113 -12.688 1.00 1.74 H ATOM 173 HD3 LYS A 11 -4.875 5.749 -12.841 1.00 1.27 H ATOM 174 HE2 LYS A 11 -5.510 4.720 -15.460 1.00 2.68 H ATOM 175 HE3 LYS A 11 -6.906 4.534 -14.407 1.00 2.60 H ATOM 176 HZ1 LYS A 11 -7.300 6.661 -14.795 1.00 2.61 H ATOM 177 HZ2 LYS A 11 -5.944 7.024 -13.839 1.00 2.71 H ATOM 178 HZ3 LYS A 11 -5.786 6.901 -15.526 1.00 2.28 H ATOM 179 N ASP A 12 0.566 4.589 -12.155 1.00 0.67 N ATOM 180 CA ASP A 12 1.587 5.624 -11.857 1.00 0.74 C ATOM 181 C ASP A 12 2.826 5.418 -12.720 1.00 0.58 C ATOM 182 O ASP A 12 3.119 4.318 -13.139 1.00 0.90 O ATOM 183 CB ASP A 12 1.984 5.491 -10.382 1.00 0.89 C ATOM 184 CG ASP A 12 2.097 6.885 -9.762 1.00 1.23 C ATOM 185 OD1 ASP A 12 3.181 7.435 -9.860 1.00 2.26 O ATOM 186 OD2 ASP A 12 1.092 7.321 -9.224 1.00 1.22 O ATOM 187 H ASP A 12 0.604 3.717 -11.705 1.00 0.93 H ATOM 188 HA ASP A 12 1.169 6.604 -12.060 1.00 0.86 H ATOM 189 HB2 ASP A 12 1.235 4.923 -9.850 1.00 0.94 H ATOM 190 HB3 ASP A 12 2.936 4.988 -10.303 1.00 1.65 H ATOM 191 N ALA A 13 3.532 6.485 -12.965 1.00 0.33 N ATOM 192 CA ALA A 13 4.756 6.374 -13.801 1.00 0.36 C ATOM 193 C ALA A 13 5.742 5.375 -13.218 1.00 0.27 C ATOM 194 O ALA A 13 6.140 4.430 -13.870 1.00 0.41 O ATOM 195 CB ALA A 13 5.463 7.731 -13.816 1.00 0.52 C ATOM 196 H ALA A 13 3.257 7.352 -12.604 1.00 0.50 H ATOM 197 HA ALA A 13 4.483 6.067 -14.803 1.00 0.43 H ATOM 198 HB1 ALA A 13 5.631 8.045 -14.835 1.00 0.54 H ATOM 199 HB2 ALA A 13 4.857 8.468 -13.308 1.00 0.57 H ATOM 200 HB3 ALA A 13 6.418 7.639 -13.307 1.00 0.57 H ATOM 201 N GLN A 14 6.119 5.613 -11.994 1.00 0.25 N ATOM 202 CA GLN A 14 7.081 4.701 -11.336 1.00 0.24 C ATOM 203 C GLN A 14 6.515 3.291 -11.153 1.00 0.26 C ATOM 204 O GLN A 14 7.207 2.413 -10.675 1.00 0.39 O ATOM 205 CB GLN A 14 7.408 5.271 -9.950 1.00 0.22 C ATOM 206 CG GLN A 14 8.412 6.416 -10.098 1.00 0.72 C ATOM 207 CD GLN A 14 8.651 7.056 -8.729 1.00 0.32 C ATOM 208 OE1 GLN A 14 8.663 8.263 -8.590 1.00 1.91 O ATOM 209 NE2 GLN A 14 8.848 6.284 -7.696 1.00 2.38 N ATOM 210 H GLN A 14 5.766 6.389 -11.511 1.00 0.37 H ATOM 211 HA GLN A 14 7.972 4.654 -11.947 1.00 0.34 H ATOM 212 HB2 GLN A 14 6.503 5.638 -9.486 1.00 0.39 H ATOM 213 HB3 GLN A 14 7.833 4.495 -9.330 1.00 0.58 H ATOM 214 HG2 GLN A 14 9.347 6.035 -10.482 1.00 1.39 H ATOM 215 HG3 GLN A 14 8.022 7.159 -10.776 1.00 1.31 H ATOM 216 HE21 GLN A 14 8.841 5.310 -7.805 1.00 4.06 H ATOM 217 HE22 GLN A 14 9.002 6.679 -6.812 1.00 2.34 H ATOM 218 N CYS A 15 5.277 3.099 -11.535 1.00 0.19 N ATOM 219 CA CYS A 15 4.662 1.745 -11.383 1.00 0.18 C ATOM 220 C CYS A 15 4.456 1.047 -12.723 1.00 0.20 C ATOM 221 O CYS A 15 3.991 -0.074 -12.766 1.00 0.29 O ATOM 222 CB CYS A 15 3.297 1.912 -10.713 1.00 0.17 C ATOM 223 SG CYS A 15 3.285 2.274 -8.941 1.00 0.12 S ATOM 224 H CYS A 15 4.757 3.836 -11.918 1.00 0.22 H ATOM 225 HA CYS A 15 5.307 1.125 -10.769 1.00 0.20 H ATOM 226 HB2 CYS A 15 2.767 2.707 -11.214 1.00 0.33 H ATOM 227 HB3 CYS A 15 2.741 1.001 -10.864 1.00 0.24 H ATOM 228 N LYS A 16 4.787 1.709 -13.795 1.00 0.15 N ATOM 229 CA LYS A 16 4.600 1.058 -15.112 1.00 0.16 C ATOM 230 C LYS A 16 5.685 0.003 -15.370 1.00 0.18 C ATOM 231 O LYS A 16 5.387 -1.071 -15.853 1.00 0.19 O ATOM 232 CB LYS A 16 4.619 2.124 -16.220 1.00 0.17 C ATOM 233 CG LYS A 16 3.248 2.155 -16.901 1.00 0.15 C ATOM 234 CD LYS A 16 2.181 2.567 -15.878 1.00 2.45 C ATOM 235 CE LYS A 16 1.303 3.668 -16.481 1.00 1.53 C ATOM 236 NZ LYS A 16 0.775 3.246 -17.810 1.00 2.54 N ATOM 237 H LYS A 16 5.150 2.617 -13.732 1.00 0.16 H ATOM 238 HA LYS A 16 3.644 0.548 -15.094 1.00 0.15 H ATOM 239 HB2 LYS A 16 4.830 3.093 -15.793 1.00 0.15 H ATOM 240 HB3 LYS A 16 5.379 1.881 -16.946 1.00 0.25 H ATOM 241 HG2 LYS A 16 3.264 2.864 -17.715 1.00 1.69 H ATOM 242 HG3 LYS A 16 3.015 1.175 -17.289 1.00 1.64 H ATOM 243 HD2 LYS A 16 1.569 1.714 -15.629 1.00 4.10 H ATOM 244 HD3 LYS A 16 2.656 2.937 -14.983 1.00 3.96 H ATOM 245 HE2 LYS A 16 0.471 3.869 -15.821 1.00 1.97 H ATOM 246 HE3 LYS A 16 1.882 4.571 -16.603 1.00 0.44 H ATOM 247 HZ1 LYS A 16 0.500 4.087 -18.356 1.00 2.98 H ATOM 248 HZ2 LYS A 16 1.510 2.722 -18.325 1.00 2.54 H ATOM 249 HZ3 LYS A 16 -0.056 2.634 -17.674 1.00 3.43 H ATOM 265 N GLN A 18 6.862 -2.290 -13.998 1.00 0.21 N ATOM 266 CA GLN A 18 6.707 -3.325 -12.952 1.00 0.26 C ATOM 267 C GLN A 18 6.085 -4.583 -13.534 1.00 0.21 C ATOM 268 O GLN A 18 5.012 -4.556 -14.099 1.00 0.15 O ATOM 269 CB GLN A 18 5.773 -2.767 -11.870 1.00 0.31 C ATOM 270 CG GLN A 18 6.485 -2.784 -10.514 1.00 0.46 C ATOM 271 CD GLN A 18 7.745 -1.919 -10.580 1.00 0.54 C ATOM 272 OE1 GLN A 18 8.856 -2.417 -10.573 1.00 2.20 O ATOM 273 NE2 GLN A 18 7.621 -0.623 -10.644 1.00 2.26 N ATOM 274 H GLN A 18 6.113 -2.079 -14.579 1.00 0.26 H ATOM 275 HA GLN A 18 7.677 -3.575 -12.541 1.00 0.31 H ATOM 276 HB2 GLN A 18 5.498 -1.754 -12.120 1.00 0.22 H ATOM 277 HB3 GLN A 18 4.881 -3.373 -11.816 1.00 0.46 H ATOM 278 HG2 GLN A 18 5.825 -2.389 -9.755 1.00 0.52 H ATOM 279 HG3 GLN A 18 6.760 -3.797 -10.258 1.00 0.56 H ATOM 280 HE21 GLN A 18 6.731 -0.215 -10.648 1.00 3.92 H ATOM 281 HE22 GLN A 18 8.420 -0.057 -10.689 1.00 2.23 H ATOM 282 N ARG A 19 6.795 -5.654 -13.384 1.00 0.31 N ATOM 283 CA ARG A 19 6.311 -6.959 -13.904 1.00 0.35 C ATOM 284 C ARG A 19 4.805 -7.125 -13.716 1.00 0.21 C ATOM 285 O ARG A 19 4.155 -7.809 -14.481 1.00 0.18 O ATOM 286 CB ARG A 19 7.019 -8.061 -13.109 1.00 0.57 C ATOM 287 CG ARG A 19 8.526 -7.988 -13.364 1.00 1.05 C ATOM 288 CD ARG A 19 9.077 -9.408 -13.460 1.00 1.78 C ATOM 289 NE ARG A 19 8.583 -10.027 -14.721 1.00 2.09 N ATOM 290 CZ ARG A 19 8.956 -11.237 -15.030 1.00 2.57 C ATOM 291 NH1 ARG A 19 8.687 -12.211 -14.205 1.00 3.29 N ATOM 292 NH2 ARG A 19 9.585 -11.433 -16.155 1.00 2.79 N ATOM 293 H ARG A 19 7.663 -5.594 -12.938 1.00 0.39 H ATOM 294 HA ARG A 19 6.547 -7.032 -14.960 1.00 0.41 H ATOM 295 HB2 ARG A 19 6.827 -7.923 -12.054 1.00 1.66 H ATOM 296 HB3 ARG A 19 6.643 -9.026 -13.413 1.00 1.46 H ATOM 297 HG2 ARG A 19 8.718 -7.464 -14.291 1.00 1.41 H ATOM 298 HG3 ARG A 19 9.008 -7.464 -12.554 1.00 1.80 H ATOM 299 HD2 ARG A 19 10.156 -9.385 -13.471 1.00 2.80 H ATOM 300 HD3 ARG A 19 8.737 -9.992 -12.617 1.00 1.58 H ATOM 301 HE ARG A 19 7.982 -9.528 -15.315 1.00 2.43 H ATOM 302 HH11 ARG A 19 8.200 -12.025 -13.352 1.00 3.72 H ATOM 303 HH12 ARG A 19 8.964 -13.145 -14.428 1.00 3.62 H ATOM 304 HH21 ARG A 19 9.773 -10.662 -16.765 1.00 2.87 H ATOM 305 HH22 ARG A 19 9.885 -12.353 -16.407 1.00 3.22 H ATOM 306 N CYS A 20 4.276 -6.505 -12.698 1.00 0.24 N ATOM 307 CA CYS A 20 2.814 -6.624 -12.457 1.00 0.25 C ATOM 308 C CYS A 20 2.045 -5.497 -13.144 1.00 0.24 C ATOM 309 O CYS A 20 0.974 -5.130 -12.709 1.00 0.33 O ATOM 310 CB CYS A 20 2.568 -6.529 -10.947 1.00 0.43 C ATOM 311 SG CYS A 20 2.840 -4.916 -10.171 1.00 0.53 S ATOM 312 H CYS A 20 4.836 -5.964 -12.102 1.00 0.33 H ATOM 313 HA CYS A 20 2.468 -7.577 -12.844 1.00 0.22 H ATOM 314 HB2 CYS A 20 1.547 -6.819 -10.752 1.00 0.47 H ATOM 315 HB3 CYS A 20 3.211 -7.242 -10.453 1.00 0.48 H ATOM 316 N CYS A 21 2.599 -4.977 -14.209 1.00 0.16 N ATOM 317 CA CYS A 21 1.904 -3.871 -14.927 1.00 0.15 C ATOM 318 C CYS A 21 2.119 -3.970 -16.438 1.00 0.20 C ATOM 319 O CYS A 21 1.311 -4.537 -17.144 1.00 0.60 O ATOM 320 CB CYS A 21 2.472 -2.538 -14.421 1.00 0.12 C ATOM 321 SG CYS A 21 2.271 -2.182 -12.661 1.00 0.09 S ATOM 322 H CYS A 21 3.456 -5.317 -14.535 1.00 0.13 H ATOM 323 HA CYS A 21 0.837 -3.933 -14.719 1.00 0.16 H ATOM 324 HB2 CYS A 21 3.528 -2.505 -14.642 1.00 0.13 H ATOM 325 HB3 CYS A 21 1.998 -1.741 -14.973 1.00 0.12 H ATOM 326 N ALA A 22 3.209 -3.417 -16.907 1.00 0.55 N ATOM 327 CA ALA A 22 3.486 -3.471 -18.366 1.00 0.62 C ATOM 328 C ALA A 22 3.873 -4.884 -18.802 1.00 0.51 C ATOM 329 O ALA A 22 3.037 -5.698 -19.143 1.00 1.36 O ATOM 330 CB ALA A 22 4.656 -2.527 -18.668 1.00 1.34 C ATOM 331 H ALA A 22 3.839 -2.975 -16.302 1.00 0.91 H ATOM 332 HA ALA A 22 2.595 -3.167 -18.906 1.00 0.70 H ATOM 333 HB1 ALA A 22 5.197 -2.883 -19.533 1.00 2.12 H ATOM 334 HB2 ALA A 22 4.281 -1.534 -18.866 1.00 2.08 H ATOM 335 HB3 ALA A 22 5.324 -2.494 -17.820 1.00 0.69 H