ATOM 39 N CYS A 3 2.219 -0.506 -6.360 1.00 0.62 N ATOM 40 CA CYS A 3 2.057 -0.817 -7.807 1.00 0.35 C ATOM 41 C CYS A 3 1.557 -2.237 -8.065 1.00 0.26 C ATOM 42 O CYS A 3 0.920 -2.481 -9.070 1.00 0.25 O ATOM 43 CB CYS A 3 3.431 -0.677 -8.475 1.00 0.19 C ATOM 44 SG CYS A 3 4.447 0.752 -8.022 1.00 0.18 S ATOM 45 H CYS A 3 3.114 -0.375 -5.987 1.00 0.89 H ATOM 46 HA CYS A 3 1.354 -0.118 -8.241 1.00 0.57 H ATOM 47 HB2 CYS A 3 4.001 -1.563 -8.247 1.00 0.13 H ATOM 48 HB3 CYS A 3 3.284 -0.653 -9.543 1.00 0.34 H ATOM 49 N CYS A 4 1.846 -3.144 -7.164 1.00 0.27 N ATOM 50 CA CYS A 4 1.383 -4.549 -7.374 1.00 0.26 C ATOM 51 C CYS A 4 0.629 -5.118 -6.171 1.00 0.25 C ATOM 52 O CYS A 4 -0.085 -6.090 -6.313 1.00 0.28 O ATOM 53 CB CYS A 4 2.623 -5.409 -7.643 1.00 0.35 C ATOM 54 SG CYS A 4 3.914 -4.681 -8.683 1.00 0.39 S ATOM 55 H CYS A 4 2.361 -2.904 -6.364 1.00 0.32 H ATOM 56 HA CYS A 4 0.716 -4.577 -8.230 1.00 0.24 H ATOM 57 HB2 CYS A 4 3.070 -5.663 -6.693 1.00 0.59 H ATOM 58 HB3 CYS A 4 2.301 -6.328 -8.109 1.00 0.35 H ATOM 59 N THR A 5 0.784 -4.535 -5.010 1.00 0.31 N ATOM 60 CA THR A 5 0.042 -5.100 -3.850 1.00 0.29 C ATOM 61 C THR A 5 -1.418 -4.628 -3.897 1.00 0.28 C ATOM 62 O THR A 5 -1.683 -3.509 -4.289 1.00 0.26 O ATOM 63 CB THR A 5 0.664 -4.582 -2.535 1.00 0.21 C ATOM 64 OG1 THR A 5 1.976 -4.169 -2.873 1.00 0.45 O ATOM 65 CG2 THR A 5 0.861 -5.702 -1.485 1.00 0.45 C ATOM 66 H THR A 5 1.372 -3.755 -4.907 1.00 0.41 H ATOM 67 HA THR A 5 0.095 -6.174 -3.927 1.00 0.38 H ATOM 68 HB THR A 5 0.095 -3.750 -2.139 1.00 0.10 H ATOM 69 HG1 THR A 5 2.495 -4.953 -3.058 1.00 0.77 H ATOM 70 HG21 THR A 5 -0.007 -5.750 -0.836 1.00 0.53 H ATOM 71 HG22 THR A 5 0.998 -6.657 -1.966 1.00 0.53 H ATOM 72 HG23 THR A 5 1.732 -5.482 -0.887 1.00 0.53 H ATOM 103 N LYS A 8 -3.592 -3.093 -6.390 1.00 0.47 N ATOM 104 CA LYS A 8 -2.448 -2.728 -7.277 1.00 0.30 C ATOM 105 C LYS A 8 -2.581 -1.287 -7.760 1.00 0.15 C ATOM 106 O LYS A 8 -3.669 -0.749 -7.814 1.00 0.35 O ATOM 107 CB LYS A 8 -2.434 -3.633 -8.519 1.00 0.43 C ATOM 108 CG LYS A 8 -3.166 -4.946 -8.232 1.00 0.90 C ATOM 109 CD LYS A 8 -2.991 -5.896 -9.426 1.00 1.10 C ATOM 110 CE LYS A 8 -2.465 -7.242 -8.925 1.00 1.22 C ATOM 111 NZ LYS A 8 -3.289 -7.730 -7.786 1.00 0.69 N ATOM 112 H LYS A 8 -4.063 -3.943 -6.504 1.00 0.72 H ATOM 113 HA LYS A 8 -1.523 -2.826 -6.716 1.00 0.36 H ATOM 114 HB2 LYS A 8 -2.914 -3.125 -9.339 1.00 0.77 H ATOM 115 HB3 LYS A 8 -1.412 -3.842 -8.790 1.00 0.30 H ATOM 116 HG2 LYS A 8 -2.760 -5.403 -7.340 1.00 1.04 H ATOM 117 HG3 LYS A 8 -4.216 -4.748 -8.083 1.00 1.17 H ATOM 118 HD2 LYS A 8 -3.942 -6.040 -9.916 1.00 0.96 H ATOM 119 HD3 LYS A 8 -2.290 -5.475 -10.133 1.00 1.42 H ATOM 120 HE2 LYS A 8 -2.503 -7.967 -9.726 1.00 1.66 H ATOM 121 HE3 LYS A 8 -1.441 -7.132 -8.599 1.00 2.04 H ATOM 122 HZ1 LYS A 8 -4.185 -7.205 -7.757 1.00 0.46 H ATOM 123 HZ2 LYS A 8 -3.486 -8.744 -7.911 1.00 0.84 H ATOM 124 HZ3 LYS A 8 -2.772 -7.585 -6.896 1.00 1.66 H ATOM 125 N LYS A 9 -1.466 -0.691 -8.097 1.00 0.26 N ATOM 126 CA LYS A 9 -1.497 0.717 -8.584 1.00 0.51 C ATOM 127 C LYS A 9 -0.575 0.867 -9.788 1.00 0.67 C ATOM 128 O LYS A 9 0.475 1.477 -9.709 1.00 1.45 O ATOM 129 CB LYS A 9 -1.023 1.653 -7.463 1.00 0.66 C ATOM 130 CG LYS A 9 -1.013 3.091 -7.982 1.00 0.65 C ATOM 131 CD LYS A 9 -1.628 4.011 -6.926 1.00 0.24 C ATOM 132 CE LYS A 9 -1.535 5.461 -7.410 1.00 1.66 C ATOM 133 NZ LYS A 9 -0.115 5.914 -7.432 1.00 3.55 N ATOM 134 H LYS A 9 -0.614 -1.171 -8.030 1.00 0.35 H ATOM 135 HA LYS A 9 -2.507 0.960 -8.891 1.00 0.50 H ATOM 136 HB2 LYS A 9 -1.692 1.576 -6.619 1.00 1.35 H ATOM 137 HB3 LYS A 9 -0.027 1.381 -7.153 1.00 1.27 H ATOM 138 HG2 LYS A 9 0.003 3.395 -8.181 1.00 2.45 H ATOM 139 HG3 LYS A 9 -1.586 3.152 -8.894 1.00 1.20 H ATOM 140 HD2 LYS A 9 -2.664 3.745 -6.773 1.00 1.80 H ATOM 141 HD3 LYS A 9 -1.094 3.902 -5.994 1.00 1.53 H ATOM 142 HE2 LYS A 9 -1.942 5.535 -8.406 1.00 1.29 H ATOM 143 HE3 LYS A 9 -2.100 6.099 -6.748 1.00 2.69 H ATOM 144 HZ1 LYS A 9 0.414 5.364 -8.139 1.00 3.95 H ATOM 145 HZ2 LYS A 9 -0.078 6.923 -7.677 1.00 5.04 H ATOM 146 HZ3 LYS A 9 0.308 5.770 -6.493 1.00 3.94 H ATOM 147 N CYS A 10 -1.000 0.310 -10.887 1.00 0.51 N ATOM 148 CA CYS A 10 -0.180 0.394 -12.121 1.00 0.46 C ATOM 149 C CYS A 10 -0.595 1.575 -12.993 1.00 0.55 C ATOM 150 O CYS A 10 -1.083 1.395 -14.092 1.00 1.02 O ATOM 151 CB CYS A 10 -0.394 -0.906 -12.901 1.00 0.35 C ATOM 152 SG CYS A 10 0.220 -2.427 -12.140 1.00 0.35 S ATOM 153 H CYS A 10 -1.862 -0.156 -10.900 1.00 1.03 H ATOM 154 HA CYS A 10 0.864 0.508 -11.845 1.00 0.47 H ATOM 155 HB2 CYS A 10 -1.453 -1.028 -13.069 1.00 0.25 H ATOM 156 HB3 CYS A 10 0.081 -0.805 -13.865 1.00 0.39 H ATOM 157 N LYS A 11 -0.393 2.762 -12.480 1.00 0.65 N ATOM 158 CA LYS A 11 -0.760 3.982 -13.251 1.00 0.70 C ATOM 159 C LYS A 11 0.415 4.954 -13.298 1.00 0.68 C ATOM 160 O LYS A 11 0.821 5.394 -14.356 1.00 0.76 O ATOM 161 CB LYS A 11 -1.933 4.671 -12.542 1.00 0.91 C ATOM 162 CG LYS A 11 -3.120 4.776 -13.508 1.00 1.26 C ATOM 163 CD LYS A 11 -4.260 5.561 -12.838 1.00 1.98 C ATOM 164 CE LYS A 11 -3.865 7.035 -12.678 1.00 4.46 C ATOM 165 NZ LYS A 11 -5.077 7.899 -12.660 1.00 4.09 N ATOM 166 H LYS A 11 -0.006 2.848 -11.585 1.00 1.01 H ATOM 167 HA LYS A 11 -1.029 3.703 -14.265 1.00 0.64 H ATOM 168 HB2 LYS A 11 -2.221 4.098 -11.675 1.00 0.67 H ATOM 169 HB3 LYS A 11 -1.631 5.659 -12.230 1.00 1.66 H ATOM 170 HG2 LYS A 11 -2.809 5.279 -14.413 1.00 1.75 H ATOM 171 HG3 LYS A 11 -3.466 3.784 -13.759 1.00 1.13 H ATOM 172 HD2 LYS A 11 -5.149 5.492 -13.445 1.00 3.05 H ATOM 173 HD3 LYS A 11 -4.466 5.136 -11.866 1.00 0.73 H ATOM 174 HE2 LYS A 11 -3.328 7.167 -11.749 1.00 5.81 H ATOM 175 HE3 LYS A 11 -3.230 7.338 -13.497 1.00 5.84 H ATOM 176 HZ1 LYS A 11 -5.545 7.860 -13.589 1.00 4.36 H ATOM 177 HZ2 LYS A 11 -5.734 7.563 -11.927 1.00 3.39 H ATOM 178 HZ3 LYS A 11 -4.799 8.881 -12.454 1.00 4.41 H ATOM 179 N ASP A 12 0.943 5.265 -12.144 1.00 0.65 N ATOM 180 CA ASP A 12 2.094 6.205 -12.092 1.00 0.63 C ATOM 181 C ASP A 12 3.278 5.663 -12.888 1.00 0.59 C ATOM 182 O ASP A 12 3.486 4.468 -12.959 1.00 1.18 O ATOM 183 CB ASP A 12 2.520 6.364 -10.626 1.00 0.68 C ATOM 184 CG ASP A 12 2.061 7.729 -10.108 1.00 1.22 C ATOM 185 OD1 ASP A 12 2.812 8.668 -10.316 1.00 1.67 O ATOM 186 OD2 ASP A 12 0.987 7.755 -9.531 1.00 1.41 O ATOM 187 H ASP A 12 0.586 4.879 -11.319 1.00 0.70 H ATOM 188 HA ASP A 12 1.789 7.159 -12.511 1.00 0.64 H ATOM 189 HB2 ASP A 12 2.071 5.586 -10.028 1.00 0.62 H ATOM 190 HB3 ASP A 12 3.594 6.298 -10.550 1.00 0.74 H ATOM 191 N ALA A 13 4.033 6.552 -13.468 1.00 0.40 N ATOM 192 CA ALA A 13 5.209 6.104 -14.262 1.00 0.42 C ATOM 193 C ALA A 13 6.142 5.260 -13.422 1.00 0.36 C ATOM 194 O ALA A 13 6.773 4.346 -13.910 1.00 0.66 O ATOM 195 CB ALA A 13 6.010 7.330 -14.688 1.00 0.68 C ATOM 196 H ALA A 13 3.828 7.507 -13.382 1.00 0.83 H ATOM 197 HA ALA A 13 4.875 5.534 -15.123 1.00 0.38 H ATOM 198 HB1 ALA A 13 6.186 7.303 -15.752 1.00 0.81 H ATOM 199 HB2 ALA A 13 5.469 8.229 -14.434 1.00 0.89 H ATOM 200 HB3 ALA A 13 6.963 7.324 -14.168 1.00 0.60 H ATOM 201 N GLN A 14 6.230 5.594 -12.173 1.00 0.25 N ATOM 202 CA GLN A 14 7.125 4.819 -11.294 1.00 0.20 C ATOM 203 C GLN A 14 6.535 3.448 -10.951 1.00 0.12 C ATOM 204 O GLN A 14 7.112 2.708 -10.179 1.00 0.26 O ATOM 205 CB GLN A 14 7.320 5.609 -9.995 1.00 0.32 C ATOM 206 CG GLN A 14 8.702 5.303 -9.410 1.00 1.88 C ATOM 207 CD GLN A 14 9.692 6.378 -9.861 1.00 1.68 C ATOM 208 OE1 GLN A 14 10.392 6.967 -9.063 1.00 1.13 O ATOM 209 NE2 GLN A 14 9.779 6.666 -11.131 1.00 3.53 N ATOM 210 H GLN A 14 5.710 6.347 -11.820 1.00 0.47 H ATOM 211 HA GLN A 14 8.065 4.692 -11.820 1.00 0.19 H ATOM 212 HB2 GLN A 14 7.240 6.667 -10.198 1.00 1.78 H ATOM 213 HB3 GLN A 14 6.557 5.328 -9.284 1.00 1.75 H ATOM 214 HG2 GLN A 14 8.649 5.297 -8.331 1.00 3.10 H ATOM 215 HG3 GLN A 14 9.044 4.335 -9.753 1.00 3.78 H ATOM 216 HE21 GLN A 14 9.215 6.194 -11.780 1.00 4.40 H ATOM 217 HE22 GLN A 14 10.405 7.353 -11.437 1.00 4.26 H ATOM 218 N CYS A 15 5.403 3.138 -11.532 1.00 0.10 N ATOM 219 CA CYS A 15 4.756 1.821 -11.253 1.00 0.01 C ATOM 220 C CYS A 15 4.470 1.058 -12.548 1.00 0.14 C ATOM 221 O CYS A 15 4.014 -0.067 -12.514 1.00 0.25 O ATOM 222 CB CYS A 15 3.419 2.091 -10.548 1.00 0.12 C ATOM 223 SG CYS A 15 3.446 2.348 -8.754 1.00 0.27 S ATOM 224 H CYS A 15 4.981 3.771 -12.151 1.00 0.24 H ATOM 225 HA CYS A 15 5.409 1.216 -10.629 1.00 0.05 H ATOM 226 HB2 CYS A 15 2.980 2.970 -10.993 1.00 0.10 H ATOM 227 HB3 CYS A 15 2.758 1.262 -10.749 1.00 0.21 H ATOM 228 N LYS A 16 4.742 1.676 -13.664 1.00 0.15 N ATOM 229 CA LYS A 16 4.484 0.981 -14.949 1.00 0.26 C ATOM 230 C LYS A 16 5.583 -0.044 -15.280 1.00 0.25 C ATOM 231 O LYS A 16 5.283 -1.131 -15.737 1.00 0.27 O ATOM 232 CB LYS A 16 4.375 2.029 -16.066 1.00 0.39 C ATOM 233 CG LYS A 16 2.970 1.956 -16.680 1.00 0.50 C ATOM 234 CD LYS A 16 2.784 3.100 -17.682 1.00 0.65 C ATOM 235 CE LYS A 16 1.517 3.879 -17.323 1.00 0.79 C ATOM 236 NZ LYS A 16 0.336 2.970 -17.295 1.00 3.18 N ATOM 237 H LYS A 16 5.114 2.583 -13.655 1.00 0.14 H ATOM 238 HA LYS A 16 3.552 0.442 -14.849 1.00 0.30 H ATOM 239 HB2 LYS A 16 4.539 3.014 -15.652 1.00 0.36 H ATOM 240 HB3 LYS A 16 5.117 1.836 -16.827 1.00 0.45 H ATOM 241 HG2 LYS A 16 2.846 1.009 -17.184 1.00 0.51 H ATOM 242 HG3 LYS A 16 2.229 2.040 -15.900 1.00 0.50 H ATOM 243 HD2 LYS A 16 3.637 3.759 -17.649 1.00 0.68 H ATOM 244 HD3 LYS A 16 2.688 2.696 -18.680 1.00 0.66 H ATOM 245 HE2 LYS A 16 1.634 4.334 -16.350 1.00 1.49 H ATOM 246 HE3 LYS A 16 1.348 4.652 -18.057 1.00 1.69 H ATOM 247 HZ1 LYS A 16 -0.495 3.470 -17.672 1.00 4.23 H ATOM 248 HZ2 LYS A 16 0.531 2.132 -17.879 1.00 3.58 H ATOM 249 HZ3 LYS A 16 0.147 2.676 -16.315 1.00 3.94 H ATOM 265 N GLN A 18 6.946 -2.376 -14.105 1.00 0.14 N ATOM 266 CA GLN A 18 6.877 -3.451 -13.089 1.00 0.08 C ATOM 267 C GLN A 18 6.172 -4.664 -13.682 1.00 0.09 C ATOM 268 O GLN A 18 5.052 -4.570 -14.140 1.00 0.11 O ATOM 269 CB GLN A 18 6.047 -2.914 -11.907 1.00 0.04 C ATOM 270 CG GLN A 18 6.907 -2.803 -10.641 1.00 0.12 C ATOM 271 CD GLN A 18 8.184 -2.009 -10.930 1.00 0.28 C ATOM 272 OE1 GLN A 18 8.160 -0.986 -11.585 1.00 0.44 O ATOM 273 NE2 GLN A 18 9.318 -2.450 -10.461 1.00 0.39 N ATOM 274 H GLN A 18 6.174 -2.205 -14.669 1.00 0.17 H ATOM 275 HA GLN A 18 7.877 -3.734 -12.783 1.00 0.09 H ATOM 276 HB2 GLN A 18 5.659 -1.938 -12.160 1.00 0.05 H ATOM 277 HB3 GLN A 18 5.218 -3.579 -11.719 1.00 0.06 H ATOM 278 HG2 GLN A 18 6.347 -2.290 -9.871 1.00 0.05 H ATOM 279 HG3 GLN A 18 7.171 -3.791 -10.292 1.00 0.20 H ATOM 280 HE21 GLN A 18 9.343 -3.277 -9.932 1.00 0.47 H ATOM 281 HE22 GLN A 18 10.147 -1.955 -10.633 1.00 0.49 H ATOM 282 N ARG A 19 6.853 -5.775 -13.672 1.00 0.08 N ATOM 283 CA ARG A 19 6.258 -7.024 -14.228 1.00 0.09 C ATOM 284 C ARG A 19 4.773 -7.131 -13.887 1.00 0.10 C ATOM 285 O ARG A 19 4.002 -7.714 -14.624 1.00 0.07 O ATOM 286 CB ARG A 19 6.990 -8.222 -13.610 1.00 0.08 C ATOM 287 CG ARG A 19 7.269 -7.933 -12.134 1.00 0.81 C ATOM 288 CD ARG A 19 7.356 -9.257 -11.375 1.00 1.25 C ATOM 289 NE ARG A 19 8.386 -10.113 -12.024 1.00 1.28 N ATOM 290 CZ ARG A 19 8.352 -11.403 -11.843 1.00 1.51 C ATOM 291 NH1 ARG A 19 7.198 -12.012 -11.860 1.00 3.16 N ATOM 292 NH2 ARG A 19 9.472 -12.043 -11.650 1.00 1.79 N ATOM 293 H ARG A 19 7.759 -5.779 -13.309 1.00 0.07 H ATOM 294 HA ARG A 19 6.371 -7.018 -15.308 1.00 0.12 H ATOM 295 HB2 ARG A 19 6.376 -9.107 -13.698 1.00 0.47 H ATOM 296 HB3 ARG A 19 7.922 -8.385 -14.129 1.00 0.52 H ATOM 297 HG2 ARG A 19 8.202 -7.400 -12.041 1.00 1.07 H ATOM 298 HG3 ARG A 19 6.473 -7.330 -11.724 1.00 0.94 H ATOM 299 HD2 ARG A 19 7.638 -9.074 -10.348 1.00 1.62 H ATOM 300 HD3 ARG A 19 6.402 -9.760 -11.402 1.00 1.28 H ATOM 301 HE ARG A 19 9.084 -9.708 -12.580 1.00 1.25 H ATOM 302 HH11 ARG A 19 6.357 -11.491 -12.012 1.00 4.42 H ATOM 303 HH12 ARG A 19 7.155 -13.000 -11.720 1.00 3.43 H ATOM 304 HH21 ARG A 19 10.340 -11.542 -11.638 1.00 3.05 H ATOM 305 HH22 ARG A 19 9.465 -13.032 -11.511 1.00 1.75 H ATOM 306 N CYS A 20 4.406 -6.566 -12.772 1.00 0.19 N ATOM 307 CA CYS A 20 2.978 -6.617 -12.357 1.00 0.20 C ATOM 308 C CYS A 20 2.221 -5.411 -12.919 1.00 0.24 C ATOM 309 O CYS A 20 1.241 -4.959 -12.359 1.00 0.31 O ATOM 310 CB CYS A 20 2.933 -6.608 -10.816 1.00 0.38 C ATOM 311 SG CYS A 20 4.457 -6.162 -9.945 1.00 2.01 S ATOM 312 H CYS A 20 5.067 -6.116 -12.208 1.00 0.27 H ATOM 313 HA CYS A 20 2.530 -7.526 -12.751 1.00 0.13 H ATOM 314 HB2 CYS A 20 2.165 -5.922 -10.496 1.00 0.68 H ATOM 315 HB3 CYS A 20 2.645 -7.595 -10.484 1.00 1.15 H ATOM 316 N CYS A 21 2.681 -4.930 -14.041 1.00 0.23 N ATOM 317 CA CYS A 21 2.015 -3.759 -14.666 1.00 0.33 C ATOM 318 C CYS A 21 2.294 -3.700 -16.166 1.00 0.37 C ATOM 319 O CYS A 21 1.446 -3.302 -16.942 1.00 0.75 O ATOM 320 CB CYS A 21 2.574 -2.489 -14.017 1.00 0.45 C ATOM 321 SG CYS A 21 2.227 -2.245 -12.260 1.00 0.47 S ATOM 322 H CYS A 21 3.456 -5.345 -14.474 1.00 0.19 H ATOM 323 HA CYS A 21 0.944 -3.835 -14.509 1.00 0.32 H ATOM 324 HB2 CYS A 21 3.647 -2.486 -14.144 1.00 0.54 H ATOM 325 HB3 CYS A 21 2.179 -1.637 -14.552 1.00 0.48 H ATOM 326 N ALA A 22 3.478 -4.092 -16.550 1.00 0.39 N ATOM 327 CA ALA A 22 3.815 -4.060 -17.999 1.00 0.33 C ATOM 328 C ALA A 22 3.257 -5.284 -18.718 1.00 0.38 C ATOM 329 O ALA A 22 3.536 -6.414 -18.369 1.00 0.31 O ATOM 330 CB ALA A 22 5.341 -4.055 -18.147 1.00 0.52 C ATOM 331 H ALA A 22 4.136 -4.406 -15.895 1.00 0.69 H ATOM 332 HA ALA A 22 3.384 -3.166 -18.439 1.00 0.41 H ATOM 333 HB1 ALA A 22 5.759 -4.917 -17.647 1.00 0.91 H ATOM 334 HB2 ALA A 22 5.605 -4.090 -19.195 1.00 1.01 H ATOM 335 HB3 ALA A 22 5.748 -3.154 -17.706 1.00 0.16 H