ATOM 39 N CYS A 3 2.535 -0.801 -6.348 1.00 0.30 N ATOM 40 CA CYS A 3 2.201 -0.992 -7.785 1.00 0.29 C ATOM 41 C CYS A 3 1.571 -2.359 -8.050 1.00 0.20 C ATOM 42 O CYS A 3 0.876 -2.531 -9.032 1.00 0.19 O ATOM 43 CB CYS A 3 3.502 -0.899 -8.591 1.00 0.27 C ATOM 44 SG CYS A 3 4.692 0.381 -8.117 1.00 0.46 S ATOM 45 H CYS A 3 3.471 -0.761 -6.063 1.00 0.47 H ATOM 46 HA CYS A 3 1.505 -0.218 -8.094 1.00 0.44 H ATOM 47 HB2 CYS A 3 4.008 -1.847 -8.528 1.00 0.28 H ATOM 48 HB3 CYS A 3 3.242 -0.740 -9.621 1.00 0.32 H ATOM 49 N CYS A 4 1.828 -3.301 -7.175 1.00 0.16 N ATOM 50 CA CYS A 4 1.251 -4.665 -7.371 1.00 0.10 C ATOM 51 C CYS A 4 0.397 -5.130 -6.191 1.00 0.18 C ATOM 52 O CYS A 4 -0.409 -6.027 -6.342 1.00 0.45 O ATOM 53 CB CYS A 4 2.408 -5.657 -7.525 1.00 0.11 C ATOM 54 SG CYS A 4 3.926 -5.056 -8.302 1.00 0.18 S ATOM 55 H CYS A 4 2.402 -3.112 -6.406 1.00 0.18 H ATOM 56 HA CYS A 4 0.631 -4.668 -8.261 1.00 0.15 H ATOM 57 HB2 CYS A 4 2.667 -6.024 -6.544 1.00 0.19 H ATOM 58 HB3 CYS A 4 2.055 -6.498 -8.103 1.00 0.18 H ATOM 59 N THR A 5 0.571 -4.541 -5.039 1.00 0.10 N ATOM 60 CA THR A 5 -0.264 -5.007 -3.901 1.00 0.12 C ATOM 61 C THR A 5 -1.691 -4.431 -4.013 1.00 0.20 C ATOM 62 O THR A 5 -1.859 -3.284 -4.378 1.00 0.25 O ATOM 63 CB THR A 5 0.346 -4.503 -2.585 1.00 0.21 C ATOM 64 OG1 THR A 5 1.736 -4.398 -2.826 1.00 0.24 O ATOM 65 CG2 THR A 5 0.231 -5.535 -1.446 1.00 0.26 C ATOM 66 H THR A 5 1.226 -3.822 -4.928 1.00 0.27 H ATOM 67 HA THR A 5 -0.279 -6.080 -3.942 1.00 0.11 H ATOM 68 HB THR A 5 -0.070 -3.545 -2.311 1.00 0.26 H ATOM 69 HG1 THR A 5 2.127 -3.912 -2.096 1.00 1.38 H ATOM 70 HG21 THR A 5 -0.746 -5.460 -0.980 1.00 0.30 H ATOM 71 HG22 THR A 5 0.371 -6.535 -1.826 1.00 0.22 H ATOM 72 HG23 THR A 5 0.987 -5.333 -0.702 1.00 0.35 H ATOM 103 N LYS A 8 -3.734 -2.526 -6.503 1.00 0.37 N ATOM 104 CA LYS A 8 -2.475 -2.316 -7.267 1.00 0.34 C ATOM 105 C LYS A 8 -2.442 -0.910 -7.850 1.00 0.32 C ATOM 106 O LYS A 8 -3.456 -0.393 -8.276 1.00 0.56 O ATOM 107 CB LYS A 8 -2.405 -3.318 -8.426 1.00 0.49 C ATOM 108 CG LYS A 8 -3.105 -4.617 -8.026 1.00 0.79 C ATOM 109 CD LYS A 8 -2.687 -5.733 -8.992 1.00 0.69 C ATOM 110 CE LYS A 8 -2.817 -5.239 -10.437 1.00 3.54 C ATOM 111 NZ LYS A 8 -2.793 -6.388 -11.383 1.00 4.18 N ATOM 112 H LYS A 8 -4.442 -3.108 -6.849 1.00 0.49 H ATOM 113 HA LYS A 8 -1.631 -2.438 -6.598 1.00 0.29 H ATOM 114 HB2 LYS A 8 -2.886 -2.900 -9.294 1.00 0.88 H ATOM 115 HB3 LYS A 8 -1.372 -3.522 -8.661 1.00 0.28 H ATOM 116 HG2 LYS A 8 -2.819 -4.886 -7.020 1.00 0.88 H ATOM 117 HG3 LYS A 8 -4.174 -4.480 -8.068 1.00 1.25 H ATOM 118 HD2 LYS A 8 -1.664 -6.018 -8.798 1.00 1.75 H ATOM 119 HD3 LYS A 8 -3.325 -6.592 -8.847 1.00 1.81 H ATOM 120 HE2 LYS A 8 -3.748 -4.702 -10.558 1.00 4.58 H ATOM 121 HE3 LYS A 8 -1.995 -4.577 -10.668 1.00 4.85 H ATOM 122 HZ1 LYS A 8 -3.715 -6.467 -11.857 1.00 4.36 H ATOM 123 HZ2 LYS A 8 -2.050 -6.236 -12.095 1.00 4.67 H ATOM 124 HZ3 LYS A 8 -2.595 -7.266 -10.860 1.00 4.43 H ATOM 125 N LYS A 9 -1.276 -0.323 -7.849 1.00 0.67 N ATOM 126 CA LYS A 9 -1.139 1.052 -8.398 1.00 0.80 C ATOM 127 C LYS A 9 -0.260 1.041 -9.646 1.00 0.85 C ATOM 128 O LYS A 9 0.781 1.665 -9.689 1.00 1.58 O ATOM 129 CB LYS A 9 -0.498 1.940 -7.323 1.00 0.79 C ATOM 130 CG LYS A 9 -0.304 3.352 -7.877 1.00 1.38 C ATOM 131 CD LYS A 9 -0.909 4.366 -6.899 1.00 0.69 C ATOM 132 CE LYS A 9 -0.197 4.283 -5.539 1.00 2.88 C ATOM 133 NZ LYS A 9 1.178 3.733 -5.687 1.00 4.38 N ATOM 134 H LYS A 9 -0.493 -0.787 -7.485 1.00 1.01 H ATOM 135 HA LYS A 9 -2.118 1.427 -8.671 1.00 0.87 H ATOM 136 HB2 LYS A 9 -1.147 1.978 -6.459 1.00 1.27 H ATOM 137 HB3 LYS A 9 0.454 1.531 -7.028 1.00 1.30 H ATOM 138 HG2 LYS A 9 0.750 3.548 -8.012 1.00 3.02 H ATOM 139 HG3 LYS A 9 -0.801 3.437 -8.832 1.00 0.71 H ATOM 140 HD2 LYS A 9 -0.802 5.363 -7.301 1.00 2.28 H ATOM 141 HD3 LYS A 9 -1.960 4.152 -6.767 1.00 1.44 H ATOM 142 HE2 LYS A 9 -0.135 5.270 -5.107 1.00 3.65 H ATOM 143 HE3 LYS A 9 -0.761 3.646 -4.874 1.00 3.48 H ATOM 144 HZ1 LYS A 9 1.644 4.178 -6.505 1.00 4.12 H ATOM 145 HZ2 LYS A 9 1.724 3.933 -4.824 1.00 5.20 H ATOM 146 HZ3 LYS A 9 1.126 2.705 -5.835 1.00 5.72 H ATOM 147 N CYS A 10 -0.709 0.321 -10.638 1.00 0.74 N ATOM 148 CA CYS A 10 0.064 0.236 -11.907 1.00 0.71 C ATOM 149 C CYS A 10 -0.371 1.328 -12.884 1.00 0.70 C ATOM 150 O CYS A 10 -0.352 1.134 -14.084 1.00 0.73 O ATOM 151 CB CYS A 10 -0.212 -1.136 -12.537 1.00 0.78 C ATOM 152 SG CYS A 10 0.628 -2.564 -11.817 1.00 0.75 S ATOM 153 H CYS A 10 -1.555 -0.166 -10.547 1.00 1.27 H ATOM 154 HA CYS A 10 1.120 0.354 -11.690 1.00 0.66 H ATOM 155 HB2 CYS A 10 -1.276 -1.321 -12.485 1.00 0.91 H ATOM 156 HB3 CYS A 10 0.061 -1.093 -13.579 1.00 0.73 H ATOM 157 N LYS A 11 -0.750 2.459 -12.350 1.00 0.66 N ATOM 158 CA LYS A 11 -1.193 3.579 -13.228 1.00 0.64 C ATOM 159 C LYS A 11 -0.106 4.647 -13.342 1.00 0.49 C ATOM 160 O LYS A 11 0.196 5.111 -14.423 1.00 0.58 O ATOM 161 CB LYS A 11 -2.443 4.218 -12.604 1.00 0.69 C ATOM 162 CG LYS A 11 -3.706 3.616 -13.244 1.00 0.48 C ATOM 163 CD LYS A 11 -3.770 2.101 -12.993 1.00 1.89 C ATOM 164 CE LYS A 11 -3.739 1.809 -11.489 1.00 3.27 C ATOM 165 NZ LYS A 11 -4.443 2.877 -10.724 1.00 4.20 N ATOM 166 H LYS A 11 -0.738 2.570 -11.376 1.00 0.66 H ATOM 167 HA LYS A 11 -1.409 3.196 -14.218 1.00 0.71 H ATOM 168 HB2 LYS A 11 -2.450 4.044 -11.539 1.00 0.76 H ATOM 169 HB3 LYS A 11 -2.427 5.283 -12.784 1.00 0.84 H ATOM 170 HG2 LYS A 11 -4.583 4.089 -12.824 1.00 1.86 H ATOM 171 HG3 LYS A 11 -3.687 3.802 -14.308 1.00 1.23 H ATOM 172 HD2 LYS A 11 -4.684 1.709 -13.413 1.00 2.01 H ATOM 173 HD3 LYS A 11 -2.932 1.615 -13.469 1.00 3.82 H ATOM 174 HE2 LYS A 11 -4.220 0.863 -11.296 1.00 3.61 H ATOM 175 HE3 LYS A 11 -2.713 1.755 -11.154 1.00 4.36 H ATOM 176 HZ1 LYS A 11 -5.470 2.741 -10.807 1.00 4.49 H ATOM 177 HZ2 LYS A 11 -4.166 2.825 -9.723 1.00 5.10 H ATOM 178 HZ3 LYS A 11 -4.185 3.808 -11.107 1.00 3.88 H ATOM 179 N ASP A 12 0.467 5.009 -12.228 1.00 0.35 N ATOM 180 CA ASP A 12 1.532 6.043 -12.263 1.00 0.17 C ATOM 181 C ASP A 12 2.729 5.566 -13.082 1.00 0.21 C ATOM 182 O ASP A 12 2.791 4.423 -13.488 1.00 0.49 O ATOM 183 CB ASP A 12 1.991 6.321 -10.825 1.00 0.18 C ATOM 184 CG ASP A 12 0.845 6.973 -10.047 1.00 0.29 C ATOM 185 OD1 ASP A 12 -0.209 7.105 -10.649 1.00 1.88 O ATOM 186 OD2 ASP A 12 1.089 7.302 -8.898 1.00 1.33 O ATOM 187 H ASP A 12 0.201 4.600 -11.378 1.00 0.43 H ATOM 188 HA ASP A 12 1.131 6.942 -12.720 1.00 0.16 H ATOM 189 HB2 ASP A 12 2.270 5.395 -10.345 1.00 0.46 H ATOM 190 HB3 ASP A 12 2.840 6.989 -10.836 1.00 0.45 H ATOM 191 N ALA A 13 3.659 6.452 -13.308 1.00 0.24 N ATOM 192 CA ALA A 13 4.859 6.069 -14.100 1.00 0.33 C ATOM 193 C ALA A 13 5.820 5.224 -13.282 1.00 0.20 C ATOM 194 O ALA A 13 6.218 4.154 -13.691 1.00 0.10 O ATOM 195 CB ALA A 13 5.609 7.340 -14.493 1.00 0.54 C ATOM 196 H ALA A 13 3.568 7.364 -12.959 1.00 0.42 H ATOM 197 HA ALA A 13 4.548 5.514 -14.978 1.00 0.40 H ATOM 198 HB1 ALA A 13 5.753 7.367 -15.562 1.00 0.64 H ATOM 199 HB2 ALA A 13 5.047 8.208 -14.186 1.00 0.70 H ATOM 200 HB3 ALA A 13 6.576 7.345 -14.000 1.00 0.49 H ATOM 201 N GLN A 14 6.169 5.725 -12.132 1.00 0.28 N ATOM 202 CA GLN A 14 7.108 4.975 -11.263 1.00 0.29 C ATOM 203 C GLN A 14 6.568 3.596 -10.866 1.00 0.25 C ATOM 204 O GLN A 14 7.111 2.951 -9.992 1.00 0.55 O ATOM 205 CB GLN A 14 7.338 5.794 -9.989 1.00 0.45 C ATOM 206 CG GLN A 14 8.638 6.587 -10.131 1.00 0.83 C ATOM 207 CD GLN A 14 9.831 5.636 -10.024 1.00 2.33 C ATOM 208 OE1 GLN A 14 9.675 4.442 -9.856 1.00 2.63 O ATOM 209 NE2 GLN A 14 11.038 6.123 -10.117 1.00 3.85 N ATOM 210 H GLN A 14 5.814 6.592 -11.844 1.00 0.38 H ATOM 211 HA GLN A 14 8.036 4.852 -11.808 1.00 0.29 H ATOM 212 HB2 GLN A 14 6.513 6.474 -9.841 1.00 1.28 H ATOM 213 HB3 GLN A 14 7.408 5.131 -9.139 1.00 0.88 H ATOM 214 HG2 GLN A 14 8.662 7.082 -11.091 1.00 0.32 H ATOM 215 HG3 GLN A 14 8.700 7.327 -9.347 1.00 1.87 H ATOM 216 HE21 GLN A 14 11.168 7.084 -10.252 1.00 4.11 H ATOM 217 HE22 GLN A 14 11.814 5.528 -10.048 1.00 4.89 H ATOM 218 N CYS A 15 5.514 3.169 -11.509 1.00 0.12 N ATOM 219 CA CYS A 15 4.928 1.839 -11.184 1.00 0.18 C ATOM 220 C CYS A 15 4.578 1.092 -12.467 1.00 0.13 C ATOM 221 O CYS A 15 3.978 0.035 -12.431 1.00 0.34 O ATOM 222 CB CYS A 15 3.640 2.082 -10.387 1.00 0.38 C ATOM 223 SG CYS A 15 3.772 2.116 -8.582 1.00 0.61 S ATOM 224 H CYS A 15 5.104 3.723 -12.201 1.00 0.33 H ATOM 225 HA CYS A 15 5.640 1.246 -10.610 1.00 0.28 H ATOM 226 HB2 CYS A 15 3.227 3.028 -10.701 1.00 0.48 H ATOM 227 HB3 CYS A 15 2.930 1.314 -10.649 1.00 0.37 H ATOM 228 N LYS A 16 4.966 1.655 -13.581 1.00 0.20 N ATOM 229 CA LYS A 16 4.666 0.992 -14.874 1.00 0.19 C ATOM 230 C LYS A 16 5.739 -0.034 -15.259 1.00 0.13 C ATOM 231 O LYS A 16 5.412 -1.103 -15.731 1.00 0.15 O ATOM 232 CB LYS A 16 4.563 2.056 -15.972 1.00 0.25 C ATOM 233 CG LYS A 16 3.163 1.998 -16.589 1.00 0.39 C ATOM 234 CD LYS A 16 3.020 3.102 -17.638 1.00 0.47 C ATOM 235 CE LYS A 16 1.708 3.853 -17.396 1.00 0.63 C ATOM 236 NZ LYS A 16 1.424 4.789 -18.520 1.00 0.81 N ATOM 237 H LYS A 16 5.454 2.503 -13.561 1.00 0.40 H ATOM 238 HA LYS A 16 3.725 0.469 -14.768 1.00 0.28 H ATOM 239 HB2 LYS A 16 4.733 3.034 -15.546 1.00 0.22 H ATOM 240 HB3 LYS A 16 5.305 1.867 -16.733 1.00 0.27 H ATOM 241 HG2 LYS A 16 3.014 1.035 -17.056 1.00 0.44 H ATOM 242 HG3 LYS A 16 2.420 2.133 -15.816 1.00 0.42 H ATOM 243 HD2 LYS A 16 3.850 3.788 -17.564 1.00 0.52 H ATOM 244 HD3 LYS A 16 3.012 2.664 -18.625 1.00 0.43 H ATOM 245 HE2 LYS A 16 0.896 3.147 -17.314 1.00 0.67 H ATOM 246 HE3 LYS A 16 1.780 4.418 -16.478 1.00 0.61 H ATOM 247 HZ1 LYS A 16 2.060 5.610 -18.458 1.00 0.84 H ATOM 248 HZ2 LYS A 16 1.576 4.302 -19.426 1.00 0.80 H ATOM 249 HZ3 LYS A 16 0.437 5.110 -18.461 1.00 0.94 H ATOM 265 N GLN A 18 7.059 -2.389 -14.188 1.00 0.15 N ATOM 266 CA GLN A 18 6.982 -3.490 -13.207 1.00 0.18 C ATOM 267 C GLN A 18 6.295 -4.689 -13.841 1.00 0.19 C ATOM 268 O GLN A 18 5.177 -4.586 -14.299 1.00 0.17 O ATOM 269 CB GLN A 18 6.125 -3.005 -12.030 1.00 0.19 C ATOM 270 CG GLN A 18 7.025 -2.742 -10.824 1.00 0.21 C ATOM 271 CD GLN A 18 8.096 -1.715 -11.194 1.00 0.22 C ATOM 272 OE1 GLN A 18 7.853 -0.790 -11.942 1.00 0.50 O ATOM 273 NE2 GLN A 18 9.291 -1.834 -10.683 1.00 0.31 N ATOM 274 H GLN A 18 6.278 -2.173 -14.720 1.00 0.07 H ATOM 275 HA GLN A 18 7.977 -3.770 -12.883 1.00 0.20 H ATOM 276 HB2 GLN A 18 5.615 -2.094 -12.305 1.00 0.20 H ATOM 277 HB3 GLN A 18 5.393 -3.757 -11.779 1.00 0.23 H ATOM 278 HG2 GLN A 18 6.431 -2.354 -10.006 1.00 0.21 H ATOM 279 HG3 GLN A 18 7.500 -3.664 -10.521 1.00 0.28 H ATOM 280 HE21 GLN A 18 9.490 -2.574 -10.071 1.00 0.51 H ATOM 281 HE22 GLN A 18 9.989 -1.186 -10.911 1.00 0.37 H ATOM 282 N ARG A 19 6.982 -5.792 -13.878 1.00 0.24 N ATOM 283 CA ARG A 19 6.376 -7.011 -14.486 1.00 0.25 C ATOM 284 C ARG A 19 4.923 -7.155 -14.045 1.00 0.20 C ATOM 285 O ARG A 19 4.126 -7.790 -14.707 1.00 0.14 O ATOM 286 CB ARG A 19 7.158 -8.247 -14.021 1.00 0.38 C ATOM 287 CG ARG A 19 7.139 -8.328 -12.492 1.00 1.00 C ATOM 288 CD ARG A 19 8.519 -8.761 -11.992 1.00 0.28 C ATOM 289 NE ARG A 19 9.536 -7.773 -12.454 1.00 2.02 N ATOM 290 CZ ARG A 19 10.563 -7.503 -11.697 1.00 3.73 C ATOM 291 NH1 ARG A 19 10.916 -8.359 -10.777 1.00 4.73 N ATOM 292 NH2 ARG A 19 11.212 -6.389 -11.892 1.00 5.03 N ATOM 293 H ARG A 19 7.888 -5.811 -13.511 1.00 0.26 H ATOM 294 HA ARG A 19 6.409 -6.916 -15.566 1.00 0.24 H ATOM 295 HB2 ARG A 19 6.705 -9.137 -14.433 1.00 1.23 H ATOM 296 HB3 ARG A 19 8.179 -8.181 -14.369 1.00 0.74 H ATOM 297 HG2 ARG A 19 6.887 -7.365 -12.077 1.00 2.07 H ATOM 298 HG3 ARG A 19 6.398 -9.051 -12.181 1.00 2.18 H ATOM 299 HD2 ARG A 19 8.522 -8.798 -10.913 1.00 0.58 H ATOM 300 HD3 ARG A 19 8.765 -9.736 -12.383 1.00 1.40 H ATOM 301 HE ARG A 19 9.433 -7.330 -13.322 1.00 2.02 H ATOM 302 HH11 ARG A 19 10.399 -9.209 -10.661 1.00 4.63 H ATOM 303 HH12 ARG A 19 11.702 -8.169 -10.190 1.00 6.05 H ATOM 304 HH21 ARG A 19 10.921 -5.762 -12.615 1.00 5.17 H ATOM 305 HH22 ARG A 19 11.998 -6.160 -11.319 1.00 6.29 H ATOM 306 N CYS A 20 4.611 -6.553 -12.931 1.00 0.25 N ATOM 307 CA CYS A 20 3.220 -6.629 -12.414 1.00 0.30 C ATOM 308 C CYS A 20 2.390 -5.470 -12.958 1.00 0.30 C ATOM 309 O CYS A 20 1.400 -5.088 -12.370 1.00 0.40 O ATOM 310 CB CYS A 20 3.271 -6.489 -10.892 1.00 0.44 C ATOM 311 SG CYS A 20 3.417 -4.807 -10.237 1.00 0.27 S ATOM 312 H CYS A 20 5.294 -6.052 -12.433 1.00 0.31 H ATOM 313 HA CYS A 20 2.775 -7.571 -12.711 1.00 0.27 H ATOM 314 HB2 CYS A 20 2.371 -6.924 -10.482 1.00 0.63 H ATOM 315 HB3 CYS A 20 4.111 -7.060 -10.525 1.00 0.54 H ATOM 316 N CYS A 21 2.800 -4.940 -14.077 1.00 0.22 N ATOM 317 CA CYS A 21 2.043 -3.806 -14.662 1.00 0.33 C ATOM 318 C CYS A 21 2.171 -3.778 -16.185 1.00 0.35 C ATOM 319 O CYS A 21 1.283 -4.210 -16.891 1.00 0.48 O ATOM 320 CB CYS A 21 2.627 -2.505 -14.089 1.00 0.39 C ATOM 321 SG CYS A 21 2.571 -2.286 -12.293 1.00 0.52 S ATOM 322 H CYS A 21 3.589 -5.298 -14.532 1.00 0.11 H ATOM 323 HA CYS A 21 0.997 -3.907 -14.396 1.00 0.43 H ATOM 324 HB2 CYS A 21 3.662 -2.440 -14.389 1.00 0.29 H ATOM 325 HB3 CYS A 21 2.105 -1.675 -14.537 1.00 0.48 H ATOM 326 N ALA A 22 3.278 -3.272 -16.663 1.00 0.66 N ATOM 327 CA ALA A 22 3.478 -3.207 -18.135 1.00 0.85 C ATOM 328 C ALA A 22 3.050 -4.509 -18.807 1.00 0.99 C ATOM 329 O ALA A 22 2.331 -4.516 -19.787 1.00 2.81 O ATOM 330 CB ALA A 22 4.969 -2.976 -18.410 1.00 0.78 C ATOM 331 H ALA A 22 3.972 -2.937 -16.058 1.00 0.89 H ATOM 332 HA ALA A 22 2.883 -2.393 -18.536 1.00 0.96 H ATOM 333 HB1 ALA A 22 5.377 -3.819 -18.951 1.00 1.05 H ATOM 334 HB2 ALA A 22 5.094 -2.081 -19.002 1.00 1.17 H ATOM 335 HB3 ALA A 22 5.498 -2.862 -17.475 1.00 0.31 H