ATOM 39 N CYS A 3 1.816 -0.907 -6.291 1.00 0.74 N ATOM 40 CA CYS A 3 1.503 -1.120 -7.731 1.00 0.63 C ATOM 41 C CYS A 3 0.975 -2.535 -7.964 1.00 0.53 C ATOM 42 O CYS A 3 0.015 -2.725 -8.681 1.00 0.82 O ATOM 43 CB CYS A 3 2.791 -0.933 -8.548 1.00 0.55 C ATOM 44 SG CYS A 3 3.959 0.346 -8.004 1.00 0.50 S ATOM 45 H CYS A 3 2.704 -1.127 -5.938 1.00 0.76 H ATOM 46 HA CYS A 3 0.740 -0.408 -8.038 1.00 0.71 H ATOM 47 HB2 CYS A 3 3.322 -1.873 -8.555 1.00 0.71 H ATOM 48 HB3 CYS A 3 2.512 -0.714 -9.567 1.00 0.49 H ATOM 49 N CYS A 4 1.622 -3.500 -7.356 1.00 0.36 N ATOM 50 CA CYS A 4 1.179 -4.914 -7.519 1.00 0.27 C ATOM 51 C CYS A 4 0.494 -5.400 -6.253 1.00 0.17 C ATOM 52 O CYS A 4 -0.445 -6.168 -6.310 1.00 0.38 O ATOM 53 CB CYS A 4 2.416 -5.789 -7.771 1.00 0.19 C ATOM 54 SG CYS A 4 3.712 -5.115 -8.841 1.00 0.49 S ATOM 55 H CYS A 4 2.399 -3.291 -6.795 1.00 0.53 H ATOM 56 HA CYS A 4 0.470 -4.983 -8.345 1.00 0.35 H ATOM 57 HB2 CYS A 4 2.865 -6.014 -6.816 1.00 0.23 H ATOM 58 HB3 CYS A 4 2.085 -6.722 -8.203 1.00 0.28 H ATOM 59 N THR A 5 0.970 -4.951 -5.123 1.00 0.62 N ATOM 60 CA THR A 5 0.333 -5.395 -3.860 1.00 0.65 C ATOM 61 C THR A 5 -0.989 -4.628 -3.690 1.00 0.70 C ATOM 62 O THR A 5 -1.061 -3.467 -4.038 1.00 0.78 O ATOM 63 CB THR A 5 1.262 -5.029 -2.687 1.00 0.88 C ATOM 64 OG1 THR A 5 2.569 -5.042 -3.229 1.00 0.91 O ATOM 65 CG2 THR A 5 1.299 -6.107 -1.582 1.00 0.98 C ATOM 66 H THR A 5 1.729 -4.333 -5.112 1.00 0.97 H ATOM 67 HA THR A 5 0.158 -6.457 -3.930 1.00 0.52 H ATOM 68 HB THR A 5 1.023 -4.049 -2.296 1.00 0.98 H ATOM 69 HG1 THR A 5 3.136 -5.522 -2.621 1.00 0.90 H ATOM 70 HG21 THR A 5 0.504 -5.929 -0.869 1.00 1.07 H ATOM 71 HG22 THR A 5 1.185 -7.091 -2.009 1.00 0.81 H ATOM 72 HG23 THR A 5 2.247 -6.057 -1.066 1.00 1.17 H ATOM 103 N LYS A 8 -3.535 -2.546 -6.130 1.00 0.24 N ATOM 104 CA LYS A 8 -2.553 -2.564 -7.254 1.00 0.22 C ATOM 105 C LYS A 8 -2.787 -1.366 -8.181 1.00 0.59 C ATOM 106 O LYS A 8 -3.917 -1.018 -8.465 1.00 1.02 O ATOM 107 CB LYS A 8 -2.728 -3.861 -8.073 1.00 0.27 C ATOM 108 CG LYS A 8 -3.328 -4.977 -7.209 1.00 0.60 C ATOM 109 CD LYS A 8 -3.533 -6.217 -8.086 1.00 1.04 C ATOM 110 CE LYS A 8 -3.076 -7.470 -7.337 1.00 0.70 C ATOM 111 NZ LYS A 8 -3.658 -8.692 -7.963 1.00 0.61 N ATOM 112 H LYS A 8 -4.404 -2.985 -6.223 1.00 0.39 H ATOM 113 HA LYS A 8 -1.552 -2.500 -6.839 1.00 0.46 H ATOM 114 HB2 LYS A 8 -3.375 -3.671 -8.915 1.00 0.24 H ATOM 115 HB3 LYS A 8 -1.769 -4.183 -8.443 1.00 0.57 H ATOM 116 HG2 LYS A 8 -2.654 -5.208 -6.396 1.00 0.62 H ATOM 117 HG3 LYS A 8 -4.280 -4.665 -6.808 1.00 0.68 H ATOM 118 HD2 LYS A 8 -4.578 -6.311 -8.339 1.00 1.46 H ATOM 119 HD3 LYS A 8 -2.958 -6.115 -8.996 1.00 1.33 H ATOM 120 HE2 LYS A 8 -2.000 -7.539 -7.373 1.00 1.07 H ATOM 121 HE3 LYS A 8 -3.393 -7.418 -6.305 1.00 1.28 H ATOM 122 HZ1 LYS A 8 -4.695 -8.621 -7.965 1.00 1.23 H ATOM 123 HZ2 LYS A 8 -3.313 -8.779 -8.940 1.00 0.71 H ATOM 124 HZ3 LYS A 8 -3.371 -9.531 -7.419 1.00 1.05 H ATOM 125 N LYS A 9 -1.724 -0.755 -8.646 1.00 0.55 N ATOM 126 CA LYS A 9 -1.904 0.415 -9.547 1.00 0.91 C ATOM 127 C LYS A 9 -0.717 0.591 -10.491 1.00 0.57 C ATOM 128 O LYS A 9 0.413 0.725 -10.064 1.00 0.76 O ATOM 129 CB LYS A 9 -2.120 1.683 -8.694 1.00 1.69 C ATOM 130 CG LYS A 9 -0.803 2.414 -8.390 1.00 0.94 C ATOM 131 CD LYS A 9 -1.109 3.554 -7.408 1.00 0.68 C ATOM 132 CE LYS A 9 0.192 4.219 -6.950 1.00 3.00 C ATOM 133 NZ LYS A 9 -0.029 4.960 -5.674 1.00 2.94 N ATOM 134 H LYS A 9 -0.833 -1.073 -8.420 1.00 0.50 H ATOM 135 HA LYS A 9 -2.776 0.225 -10.153 1.00 1.20 H ATOM 136 HB2 LYS A 9 -2.781 2.355 -9.221 1.00 3.45 H ATOM 137 HB3 LYS A 9 -2.587 1.401 -7.764 1.00 3.02 H ATOM 138 HG2 LYS A 9 -0.097 1.731 -7.946 1.00 2.00 H ATOM 139 HG3 LYS A 9 -0.385 2.826 -9.298 1.00 1.16 H ATOM 140 HD2 LYS A 9 -1.734 4.287 -7.894 1.00 2.19 H ATOM 141 HD3 LYS A 9 -1.633 3.161 -6.549 1.00 1.88 H ATOM 142 HE2 LYS A 9 0.952 3.468 -6.795 1.00 4.32 H ATOM 143 HE3 LYS A 9 0.529 4.912 -7.705 1.00 4.30 H ATOM 144 HZ1 LYS A 9 0.089 4.312 -4.869 1.00 2.36 H ATOM 145 HZ2 LYS A 9 0.662 5.735 -5.597 1.00 4.36 H ATOM 146 HZ3 LYS A 9 -0.992 5.351 -5.663 1.00 2.61 H ATOM 147 N CYS A 10 -1.020 0.587 -11.767 1.00 0.47 N ATOM 148 CA CYS A 10 0.047 0.749 -12.793 1.00 0.36 C ATOM 149 C CYS A 10 -0.147 2.009 -13.634 1.00 0.48 C ATOM 150 O CYS A 10 0.454 2.152 -14.681 1.00 0.98 O ATOM 151 CB CYS A 10 0.013 -0.476 -13.712 1.00 0.70 C ATOM 152 SG CYS A 10 0.450 -2.064 -12.970 1.00 0.59 S ATOM 153 H CYS A 10 -1.952 0.472 -12.043 1.00 0.74 H ATOM 154 HA CYS A 10 1.004 0.817 -12.297 1.00 0.25 H ATOM 155 HB2 CYS A 10 -0.979 -0.567 -14.125 1.00 1.02 H ATOM 156 HB3 CYS A 10 0.694 -0.296 -14.530 1.00 0.88 H ATOM 157 N LYS A 11 -0.980 2.899 -13.170 1.00 0.31 N ATOM 158 CA LYS A 11 -1.202 4.145 -13.950 1.00 0.30 C ATOM 159 C LYS A 11 -0.126 5.160 -13.596 1.00 0.24 C ATOM 160 O LYS A 11 0.070 6.140 -14.288 1.00 0.68 O ATOM 161 CB LYS A 11 -2.571 4.727 -13.580 1.00 0.42 C ATOM 162 CG LYS A 11 -2.853 4.460 -12.101 1.00 1.99 C ATOM 163 CD LYS A 11 -3.825 5.519 -11.583 1.00 2.34 C ATOM 164 CE LYS A 11 -4.676 4.913 -10.466 1.00 3.56 C ATOM 165 NZ LYS A 11 -5.510 5.965 -9.821 1.00 4.52 N ATOM 166 H LYS A 11 -1.448 2.751 -12.323 1.00 0.63 H ATOM 167 HA LYS A 11 -1.142 3.920 -15.010 1.00 0.44 H ATOM 168 HB2 LYS A 11 -2.570 5.792 -13.762 1.00 2.07 H ATOM 169 HB3 LYS A 11 -3.337 4.266 -14.186 1.00 1.58 H ATOM 170 HG2 LYS A 11 -3.289 3.479 -11.984 1.00 2.83 H ATOM 171 HG3 LYS A 11 -1.931 4.507 -11.538 1.00 3.35 H ATOM 172 HD2 LYS A 11 -3.274 6.365 -11.201 1.00 3.67 H ATOM 173 HD3 LYS A 11 -4.466 5.849 -12.387 1.00 1.29 H ATOM 174 HE2 LYS A 11 -5.324 4.153 -10.878 1.00 3.61 H ATOM 175 HE3 LYS A 11 -4.033 4.466 -9.724 1.00 4.22 H ATOM 176 HZ1 LYS A 11 -6.516 5.773 -10.005 1.00 5.00 H ATOM 177 HZ2 LYS A 11 -5.338 5.964 -8.797 1.00 4.91 H ATOM 178 HZ3 LYS A 11 -5.259 6.895 -10.214 1.00 4.49 H ATOM 179 N ASP A 12 0.551 4.895 -12.516 1.00 0.23 N ATOM 180 CA ASP A 12 1.624 5.813 -12.079 1.00 0.45 C ATOM 181 C ASP A 12 2.934 5.460 -12.776 1.00 0.53 C ATOM 182 O ASP A 12 3.172 4.318 -13.112 1.00 0.94 O ATOM 183 CB ASP A 12 1.802 5.649 -10.564 1.00 0.67 C ATOM 184 CG ASP A 12 1.033 6.755 -9.837 1.00 0.55 C ATOM 185 OD1 ASP A 12 -0.135 6.519 -9.575 1.00 0.29 O ATOM 186 OD2 ASP A 12 1.659 7.771 -9.585 1.00 1.11 O ATOM 187 H ASP A 12 0.352 4.088 -11.999 1.00 0.52 H ATOM 188 HA ASP A 12 1.347 6.833 -12.331 1.00 0.52 H ATOM 189 HB2 ASP A 12 1.416 4.689 -10.255 1.00 0.73 H ATOM 190 HB3 ASP A 12 2.848 5.714 -10.310 1.00 0.99 H ATOM 191 N ALA A 13 3.757 6.450 -12.979 1.00 0.17 N ATOM 192 CA ALA A 13 5.057 6.193 -13.655 1.00 0.22 C ATOM 193 C ALA A 13 5.922 5.232 -12.856 1.00 0.27 C ATOM 194 O ALA A 13 6.296 4.182 -13.333 1.00 0.27 O ATOM 195 CB ALA A 13 5.823 7.509 -13.745 1.00 0.30 C ATOM 196 H ALA A 13 3.521 7.355 -12.689 1.00 0.26 H ATOM 197 HA ALA A 13 4.875 5.779 -14.639 1.00 0.22 H ATOM 198 HB1 ALA A 13 6.063 7.723 -14.775 1.00 0.32 H ATOM 199 HB2 ALA A 13 5.224 8.311 -13.341 1.00 0.25 H ATOM 200 HB3 ALA A 13 6.740 7.423 -13.173 1.00 0.42 H ATOM 201 N GLN A 14 6.227 5.619 -11.652 1.00 0.33 N ATOM 202 CA GLN A 14 7.073 4.754 -10.796 1.00 0.39 C ATOM 203 C GLN A 14 6.454 3.371 -10.579 1.00 0.38 C ATOM 204 O GLN A 14 7.004 2.558 -9.859 1.00 0.50 O ATOM 205 CB GLN A 14 7.219 5.439 -9.432 1.00 0.43 C ATOM 206 CG GLN A 14 8.688 5.797 -9.191 1.00 1.58 C ATOM 207 CD GLN A 14 9.096 6.922 -10.142 1.00 1.40 C ATOM 208 OE1 GLN A 14 8.632 7.001 -11.261 1.00 3.08 O ATOM 209 NE2 GLN A 14 9.959 7.811 -9.735 1.00 2.05 N ATOM 210 H GLN A 14 5.896 6.477 -11.310 1.00 0.37 H ATOM 211 HA GLN A 14 8.037 4.644 -11.277 1.00 0.42 H ATOM 212 HB2 GLN A 14 6.621 6.336 -9.415 1.00 1.00 H ATOM 213 HB3 GLN A 14 6.877 4.771 -8.654 1.00 1.50 H ATOM 214 HG2 GLN A 14 8.818 6.130 -8.172 1.00 2.91 H ATOM 215 HG3 GLN A 14 9.314 4.934 -9.365 1.00 3.53 H ATOM 216 HE21 GLN A 14 10.335 7.751 -8.832 1.00 2.78 H ATOM 217 HE22 GLN A 14 10.230 8.540 -10.331 1.00 2.91 H ATOM 218 N CYS A 15 5.329 3.132 -11.201 1.00 0.26 N ATOM 219 CA CYS A 15 4.660 1.809 -11.044 1.00 0.24 C ATOM 220 C CYS A 15 4.480 1.124 -12.396 1.00 0.23 C ATOM 221 O CYS A 15 3.868 0.082 -12.482 1.00 0.43 O ATOM 222 CB CYS A 15 3.275 2.043 -10.430 1.00 0.24 C ATOM 223 SG CYS A 15 3.149 2.092 -8.625 1.00 0.27 S ATOM 224 H CYS A 15 4.928 3.818 -11.770 1.00 0.17 H ATOM 225 HA CYS A 15 5.258 1.168 -10.404 1.00 0.23 H ATOM 226 HB2 CYS A 15 2.893 2.978 -10.813 1.00 0.29 H ATOM 227 HB3 CYS A 15 2.626 1.261 -10.776 1.00 0.22 H ATOM 228 N LYS A 16 5.013 1.721 -13.426 1.00 0.31 N ATOM 229 CA LYS A 16 4.875 1.102 -14.770 1.00 0.29 C ATOM 230 C LYS A 16 5.961 0.051 -15.036 1.00 0.28 C ATOM 231 O LYS A 16 5.681 -0.977 -15.617 1.00 0.20 O ATOM 232 CB LYS A 16 4.928 2.210 -15.831 1.00 0.34 C ATOM 233 CG LYS A 16 3.572 2.260 -16.550 1.00 0.37 C ATOM 234 CD LYS A 16 3.516 3.477 -17.475 1.00 0.48 C ATOM 235 CE LYS A 16 2.290 4.320 -17.111 1.00 0.54 C ATOM 236 NZ LYS A 16 1.051 3.495 -17.185 1.00 2.52 N ATOM 237 H LYS A 16 5.499 2.564 -13.314 1.00 0.50 H ATOM 238 HA LYS A 16 3.920 0.594 -14.802 1.00 0.27 H ATOM 239 HB2 LYS A 16 5.122 3.160 -15.355 1.00 0.40 H ATOM 240 HB3 LYS A 16 5.714 1.998 -16.542 1.00 0.30 H ATOM 241 HG2 LYS A 16 3.438 1.358 -17.129 1.00 0.32 H ATOM 242 HG3 LYS A 16 2.778 2.331 -15.822 1.00 0.40 H ATOM 243 HD2 LYS A 16 4.411 4.068 -17.361 1.00 0.53 H ATOM 244 HD3 LYS A 16 3.436 3.148 -18.501 1.00 0.50 H ATOM 245 HE2 LYS A 16 2.395 4.703 -16.106 1.00 2.17 H ATOM 246 HE3 LYS A 16 2.203 5.149 -17.797 1.00 1.23 H ATOM 247 HZ1 LYS A 16 0.227 4.117 -17.318 1.00 3.41 H ATOM 248 HZ2 LYS A 16 1.122 2.837 -17.988 1.00 2.76 H ATOM 249 HZ3 LYS A 16 0.941 2.954 -16.302 1.00 3.60 H ATOM 265 N GLN A 18 7.020 -2.437 -13.903 1.00 0.20 N ATOM 266 CA GLN A 18 6.765 -3.555 -12.978 1.00 0.24 C ATOM 267 C GLN A 18 6.174 -4.739 -13.712 1.00 0.15 C ATOM 268 O GLN A 18 5.267 -4.598 -14.504 1.00 0.38 O ATOM 269 CB GLN A 18 5.735 -3.086 -11.946 1.00 0.39 C ATOM 270 CG GLN A 18 6.451 -2.743 -10.645 1.00 0.47 C ATOM 271 CD GLN A 18 7.441 -1.611 -10.914 1.00 0.66 C ATOM 272 OE1 GLN A 18 7.118 -0.635 -11.559 1.00 0.79 O ATOM 273 NE2 GLN A 18 8.653 -1.703 -10.447 1.00 0.82 N ATOM 274 H GLN A 18 6.360 -2.220 -14.580 1.00 0.13 H ATOM 275 HA GLN A 18 7.690 -3.853 -12.498 1.00 0.34 H ATOM 276 HB2 GLN A 18 5.220 -2.214 -12.316 1.00 0.50 H ATOM 277 HB3 GLN A 18 5.016 -3.873 -11.769 1.00 0.39 H ATOM 278 HG2 GLN A 18 5.730 -2.423 -9.906 1.00 0.61 H ATOM 279 HG3 GLN A 18 6.980 -3.611 -10.282 1.00 0.32 H ATOM 280 HE21 GLN A 18 8.923 -2.491 -9.931 1.00 0.84 H ATOM 281 HE22 GLN A 18 9.297 -0.984 -10.615 1.00 0.99 H ATOM 282 N ARG A 19 6.721 -5.880 -13.443 1.00 0.33 N ATOM 283 CA ARG A 19 6.217 -7.108 -14.104 1.00 0.23 C ATOM 284 C ARG A 19 4.695 -7.188 -13.966 1.00 0.19 C ATOM 285 O ARG A 19 4.033 -7.837 -14.750 1.00 0.19 O ATOM 286 CB ARG A 19 6.844 -8.324 -13.410 1.00 0.35 C ATOM 287 CG ARG A 19 8.365 -8.155 -13.373 1.00 1.03 C ATOM 288 CD ARG A 19 9.000 -9.408 -12.766 1.00 1.14 C ATOM 289 NE ARG A 19 8.806 -10.554 -13.696 1.00 1.32 N ATOM 290 CZ ARG A 19 9.813 -10.984 -14.405 1.00 1.86 C ATOM 291 NH1 ARG A 19 10.982 -11.101 -13.839 1.00 2.50 N ATOM 292 NH2 ARG A 19 9.619 -11.275 -15.661 1.00 2.35 N ATOM 293 H ARG A 19 7.475 -5.918 -12.830 1.00 0.58 H ATOM 294 HA ARG A 19 6.480 -7.079 -15.156 1.00 0.25 H ATOM 295 HB2 ARG A 19 6.465 -8.406 -12.402 1.00 1.03 H ATOM 296 HB3 ARG A 19 6.594 -9.223 -13.957 1.00 1.26 H ATOM 297 HG2 ARG A 19 8.738 -8.008 -14.376 1.00 1.69 H ATOM 298 HG3 ARG A 19 8.620 -7.293 -12.774 1.00 1.56 H ATOM 299 HD2 ARG A 19 10.057 -9.245 -12.615 1.00 1.98 H ATOM 300 HD3 ARG A 19 8.531 -9.633 -11.819 1.00 0.91 H ATOM 301 HE ARG A 19 7.929 -10.984 -13.774 1.00 2.43 H ATOM 302 HH11 ARG A 19 11.097 -10.863 -12.876 1.00 2.16 H ATOM 303 HH12 ARG A 19 11.762 -11.431 -14.370 1.00 3.47 H ATOM 304 HH21 ARG A 19 8.710 -11.164 -16.066 1.00 1.87 H ATOM 305 HH22 ARG A 19 10.374 -11.617 -16.220 1.00 3.35 H ATOM 306 N CYS A 20 4.167 -6.526 -12.964 1.00 0.31 N ATOM 307 CA CYS A 20 2.689 -6.556 -12.765 1.00 0.44 C ATOM 308 C CYS A 20 2.023 -5.447 -13.573 1.00 0.48 C ATOM 309 O CYS A 20 0.882 -5.100 -13.339 1.00 0.78 O ATOM 310 CB CYS A 20 2.381 -6.332 -11.280 1.00 0.62 C ATOM 311 SG CYS A 20 2.769 -4.707 -10.581 1.00 0.56 S ATOM 312 H CYS A 20 4.740 -6.016 -12.345 1.00 0.35 H ATOM 313 HA CYS A 20 2.306 -7.516 -13.103 1.00 0.45 H ATOM 314 HB2 CYS A 20 1.326 -6.502 -11.131 1.00 0.76 H ATOM 315 HB3 CYS A 20 2.916 -7.074 -10.708 1.00 0.72 H ATOM 316 N CYS A 21 2.753 -4.920 -14.518 1.00 0.26 N ATOM 317 CA CYS A 21 2.205 -3.828 -15.366 1.00 0.42 C ATOM 318 C CYS A 21 2.639 -4.013 -16.817 1.00 0.50 C ATOM 319 O CYS A 21 1.815 -4.155 -17.699 1.00 0.63 O ATOM 320 CB CYS A 21 2.758 -2.497 -14.848 1.00 0.44 C ATOM 321 SG CYS A 21 2.462 -2.114 -13.106 1.00 0.43 S ATOM 322 H CYS A 21 3.659 -5.252 -14.674 1.00 0.13 H ATOM 323 HA CYS A 21 1.119 -3.842 -15.315 1.00 0.52 H ATOM 324 HB2 CYS A 21 3.826 -2.480 -15.013 1.00 0.41 H ATOM 325 HB3 CYS A 21 2.326 -1.702 -15.438 1.00 0.49 H ATOM 326 N ALA A 22 3.927 -4.007 -17.036 1.00 0.45 N ATOM 327 CA ALA A 22 4.432 -4.181 -18.423 1.00 0.61 C ATOM 328 C ALA A 22 4.691 -5.656 -18.716 1.00 1.14 C ATOM 329 O ALA A 22 4.184 -6.218 -19.668 1.00 1.58 O ATOM 330 CB ALA A 22 5.755 -3.417 -18.559 1.00 0.44 C ATOM 331 H ALA A 22 4.554 -3.889 -16.293 1.00 0.35 H ATOM 332 HA ALA A 22 3.692 -3.805 -19.121 1.00 0.77 H ATOM 333 HB1 ALA A 22 6.351 -3.862 -19.344 1.00 1.19 H ATOM 334 HB2 ALA A 22 5.558 -2.386 -18.804 1.00 0.90 H ATOM 335 HB3 ALA A 22 6.303 -3.463 -17.629 1.00 0.73 H