ATOM 80 N CYS A 5 -3.249 -3.233 -1.822 1.00 0.07 N ATOM 81 CA CYS A 5 -1.833 -3.450 -2.063 1.00 0.08 C ATOM 82 C CYS A 5 -1.603 -4.833 -2.656 1.00 0.13 C ATOM 83 O CYS A 5 -1.561 -5.835 -1.933 1.00 0.17 O ATOM 84 CB CYS A 5 -1.035 -3.293 -0.766 1.00 0.09 C ATOM 85 SG CYS A 5 0.737 -3.576 -0.965 1.00 0.11 S ATOM 86 H CYS A 5 -3.581 -3.233 -0.896 1.00 0.12 H ATOM 87 HA CYS A 5 -1.501 -2.707 -2.771 1.00 0.13 H ATOM 88 HB2 CYS A 5 -1.166 -2.291 -0.386 1.00 0.16 H ATOM 89 HB3 CYS A 5 -1.402 -4.000 -0.040 1.00 0.12 H ATOM 90 N THR A 6 -1.463 -4.882 -3.971 1.00 0.19 N ATOM 91 CA THR A 6 -1.249 -6.133 -4.674 1.00 0.27 C ATOM 92 C THR A 6 0.246 -6.435 -4.762 1.00 0.28 C ATOM 93 O THR A 6 0.823 -6.543 -5.848 1.00 0.55 O ATOM 94 CB THR A 6 -1.870 -6.072 -6.080 1.00 0.36 C ATOM 95 OG1 THR A 6 -3.127 -5.384 -6.008 1.00 1.49 O ATOM 96 CG2 THR A 6 -2.090 -7.470 -6.642 1.00 1.25 C ATOM 97 H THR A 6 -1.495 -4.046 -4.483 1.00 0.23 H ATOM 98 HA THR A 6 -1.737 -6.919 -4.117 1.00 0.28 H ATOM 99 HB THR A 6 -1.203 -5.530 -6.735 1.00 1.07 H ATOM 100 HG1 THR A 6 -3.252 -5.048 -5.109 1.00 2.01 H ATOM 101 HG21 THR A 6 -2.763 -8.016 -5.996 1.00 1.85 H ATOM 102 HG22 THR A 6 -1.146 -7.989 -6.699 1.00 1.90 H ATOM 103 HG23 THR A 6 -2.521 -7.397 -7.629 1.00 1.77 H ATOM 104 N TRP A 7 0.868 -6.540 -3.602 1.00 0.14 N ATOM 105 CA TRP A 7 2.280 -6.845 -3.507 1.00 0.13 C ATOM 106 C TRP A 7 2.458 -8.182 -2.803 1.00 0.14 C ATOM 107 O TRP A 7 2.196 -8.290 -1.602 1.00 0.15 O ATOM 108 CB TRP A 7 3.000 -5.737 -2.733 1.00 0.17 C ATOM 109 CG TRP A 7 4.493 -5.848 -2.763 1.00 0.25 C ATOM 110 CD1 TRP A 7 5.338 -5.252 -3.652 1.00 0.34 C ATOM 111 CD2 TRP A 7 5.322 -6.593 -1.860 1.00 0.30 C ATOM 112 NE1 TRP A 7 6.638 -5.582 -3.361 1.00 0.41 N ATOM 113 CE2 TRP A 7 6.654 -6.405 -2.267 1.00 0.39 C ATOM 114 CE3 TRP A 7 5.067 -7.402 -0.750 1.00 0.33 C ATOM 115 CZ2 TRP A 7 7.726 -6.995 -1.601 1.00 0.48 C ATOM 116 CZ3 TRP A 7 6.130 -7.985 -0.092 1.00 0.43 C ATOM 117 CH2 TRP A 7 7.443 -7.780 -0.520 1.00 0.49 C ATOM 118 H TRP A 7 0.355 -6.413 -2.777 1.00 0.28 H ATOM 119 HA TRP A 7 2.683 -6.906 -4.505 1.00 0.15 H ATOM 120 HB2 TRP A 7 2.730 -4.780 -3.154 1.00 0.19 H ATOM 121 HB3 TRP A 7 2.685 -5.768 -1.701 1.00 0.17 H ATOM 122 HD1 TRP A 7 5.016 -4.616 -4.461 1.00 0.37 H ATOM 123 HE1 TRP A 7 7.429 -5.278 -3.858 1.00 0.48 H ATOM 124 HE3 TRP A 7 4.060 -7.573 -0.404 1.00 0.31 H ATOM 125 HZ2 TRP A 7 8.746 -6.847 -1.916 1.00 0.55 H ATOM 126 HZ3 TRP A 7 5.952 -8.612 0.765 1.00 0.49 H ATOM 127 HH2 TRP A 7 8.243 -8.258 0.025 1.00 0.57 H ATOM 142 N CYS A 9 1.765 -11.406 -1.047 1.00 0.16 N ATOM 143 CA CYS A 9 0.527 -11.728 -0.339 1.00 0.17 C ATOM 144 C CYS A 9 0.184 -10.693 0.731 1.00 0.17 C ATOM 145 O CYS A 9 -0.344 -11.033 1.791 1.00 0.29 O ATOM 146 CB CYS A 9 0.840 -13.077 0.300 1.00 0.26 C ATOM 147 SG CYS A 9 2.584 -13.135 0.692 1.00 0.34 S ATOM 148 HA CYS A 9 -0.303 -11.830 -1.021 1.00 0.19 H ATOM 149 HB2 CYS A 9 0.267 -13.196 1.210 1.00 0.36 H ATOM 150 HB3 CYS A 9 0.616 -13.876 -0.390 1.00 0.30 H ATOM 151 N CYS A 10 0.497 -9.430 0.456 1.00 0.10 N ATOM 152 CA CYS A 10 0.208 -8.351 1.389 1.00 0.11 C ATOM 153 C CYS A 10 -1.302 -8.119 1.460 1.00 0.16 C ATOM 154 O CYS A 10 -1.924 -8.385 2.490 1.00 0.23 O ATOM 155 CB CYS A 10 0.950 -7.083 0.955 1.00 0.10 C ATOM 156 SG CYS A 10 0.874 -5.710 2.125 1.00 0.12 S ATOM 157 H CYS A 10 0.928 -9.218 -0.403 1.00 0.12 H ATOM 158 HA CYS A 10 0.559 -8.651 2.363 1.00 0.17 H ATOM 159 HB2 CYS A 10 1.991 -7.323 0.810 1.00 0.17 H ATOM 160 HB3 CYS A 10 0.538 -6.739 0.019 1.00 0.12 H ATOM 161 N GLY A 11 -1.888 -7.656 0.361 1.00 0.18 N ATOM 162 CA GLY A 11 -3.335 -7.533 0.276 1.00 0.26 C ATOM 163 C GLY A 11 -3.952 -6.664 1.361 1.00 0.26 C ATOM 164 O GLY A 11 -4.984 -7.020 1.934 1.00 0.50 O ATOM 165 H GLY A 11 -1.335 -7.407 -0.414 1.00 0.18 H ATOM 166 HA2 GLY A 11 -3.587 -7.109 -0.684 1.00 0.30 H ATOM 167 HA3 GLY A 11 -3.766 -8.520 0.338 1.00 0.32 H ATOM 168 N LYS A 12 -3.322 -5.538 1.656 1.00 0.17 N ATOM 169 CA LYS A 12 -3.888 -4.574 2.591 1.00 0.17 C ATOM 170 C LYS A 12 -4.648 -3.508 1.812 1.00 0.13 C ATOM 171 O LYS A 12 -4.168 -3.031 0.787 1.00 0.12 O ATOM 172 CB LYS A 12 -2.789 -3.941 3.452 1.00 0.22 C ATOM 173 CG LYS A 12 -3.327 -3.083 4.584 1.00 0.80 C ATOM 174 CD LYS A 12 -2.226 -2.662 5.546 1.00 0.90 C ATOM 175 CE LYS A 12 -2.784 -1.819 6.683 1.00 1.54 C ATOM 176 NZ LYS A 12 -1.718 -1.344 7.604 1.00 2.30 N1+ ATOM 177 H LYS A 12 -2.458 -5.350 1.238 1.00 0.34 H ATOM 178 HA LYS A 12 -4.583 -5.099 3.229 1.00 0.20 H ATOM 179 HB2 LYS A 12 -2.183 -4.724 3.880 1.00 0.64 H ATOM 180 HB3 LYS A 12 -2.169 -3.318 2.824 1.00 0.73 H ATOM 181 HG2 LYS A 12 -3.782 -2.198 4.163 1.00 1.38 H ATOM 182 HG3 LYS A 12 -4.070 -3.650 5.130 1.00 1.47 H ATOM 183 HD2 LYS A 12 -1.766 -3.547 5.959 1.00 1.37 H ATOM 184 HD3 LYS A 12 -1.488 -2.087 5.009 1.00 1.09 H ATOM 185 HE2 LYS A 12 -3.294 -0.964 6.266 1.00 1.88 H ATOM 186 HE3 LYS A 12 -3.488 -2.417 7.244 1.00 2.02 H ATOM 187 HZ1 LYS A 12 -1.001 -0.806 7.076 1.00 2.76 H ATOM 188 HZ2 LYS A 12 -1.254 -2.149 8.069 1.00 2.76 H ATOM 189 HZ3 LYS A 12 -2.124 -0.723 8.334 1.00 2.59 H ATOM 190 N ARG A 13 -5.833 -3.150 2.284 1.00 0.15 N ATOM 191 CA ARG A 13 -6.697 -2.236 1.548 1.00 0.13 C ATOM 192 C ARG A 13 -6.793 -0.880 2.237 1.00 0.11 C ATOM 193 O ARG A 13 -6.792 -0.789 3.465 1.00 0.17 O ATOM 194 CB ARG A 13 -8.091 -2.841 1.379 1.00 0.20 C ATOM 195 CG ARG A 13 -8.089 -4.160 0.627 1.00 0.27 C ATOM 196 CD ARG A 13 -9.488 -4.737 0.494 1.00 0.37 C ATOM 197 NE ARG A 13 -10.121 -4.947 1.794 1.00 1.29 N ATOM 198 CZ ARG A 13 -11.162 -5.749 1.994 1.00 1.74 C ATOM 199 NH1 ARG A 13 -11.682 -6.436 0.986 1.00 1.63 N1+ ATOM 200 NH2 ARG A 13 -11.686 -5.863 3.208 1.00 2.85 N ATOM 201 H ARG A 13 -6.129 -3.497 3.153 1.00 0.20 H ATOM 202 HA ARG A 13 -6.260 -2.092 0.571 1.00 0.12 H ATOM 203 HB2 ARG A 13 -8.519 -3.009 2.355 1.00 0.24 H ATOM 204 HB3 ARG A 13 -8.713 -2.143 0.838 1.00 0.22 H ATOM 205 HG2 ARG A 13 -7.683 -3.997 -0.360 1.00 0.29 H ATOM 206 HG3 ARG A 13 -7.467 -4.862 1.162 1.00 0.32 H ATOM 207 HD2 ARG A 13 -10.092 -4.053 -0.083 1.00 1.01 H ATOM 208 HD3 ARG A 13 -9.425 -5.683 -0.022 1.00 1.17 H ATOM 209 HE ARG A 13 -9.750 -4.454 2.560 1.00 2.02 H ATOM 210 HH11 ARG A 13 -11.292 -6.354 0.064 1.00 1.55 H ATOM 211 HH12 ARG A 13 -12.467 -7.042 1.139 1.00 2.19 H ATOM 212 HH21 ARG A 13 -11.300 -5.345 3.974 1.00 3.45 H ATOM 213 HH22 ARG A 13 -12.464 -6.479 3.366 1.00 3.23 H ATOM 214 N PHE A 14 -6.870 0.168 1.428 1.00 0.08 N ATOM 215 CA PHE A 14 -6.945 1.536 1.922 1.00 0.07 C ATOM 216 C PHE A 14 -8.079 2.278 1.228 1.00 0.11 C ATOM 217 O PHE A 14 -8.521 1.884 0.149 1.00 0.21 O ATOM 218 CB PHE A 14 -5.625 2.263 1.654 1.00 0.09 C ATOM 219 CG PHE A 14 -4.428 1.532 2.172 1.00 0.11 C ATOM 220 CD1 PHE A 14 -3.761 0.623 1.370 1.00 0.13 C ATOM 221 CD2 PHE A 14 -3.974 1.749 3.460 1.00 0.13 C ATOM 222 CE1 PHE A 14 -2.662 -0.057 1.844 1.00 0.16 C ATOM 223 CE2 PHE A 14 -2.875 1.071 3.941 1.00 0.17 C ATOM 224 CZ PHE A 14 -2.218 0.167 3.131 1.00 0.17 C ATOM 225 H PHE A 14 -6.864 0.018 0.457 1.00 0.13 H ATOM 226 HA PHE A 14 -7.131 1.505 2.982 1.00 0.08 H ATOM 227 HB2 PHE A 14 -5.499 2.391 0.590 1.00 0.12 H ATOM 228 HB3 PHE A 14 -5.650 3.234 2.128 1.00 0.11 H ATOM 229 HD1 PHE A 14 -4.111 0.449 0.363 1.00 0.14 H ATOM 230 HD2 PHE A 14 -4.490 2.456 4.090 1.00 0.14 H ATOM 231 HE1 PHE A 14 -2.149 -0.766 1.210 1.00 0.18 H ATOM 232 HE2 PHE A 14 -2.528 1.247 4.947 1.00 0.21 H ATOM 233 HZ PHE A 14 -1.356 -0.363 3.503 1.00 0.20 H ATOM 234 N THR A 15 -8.548 3.346 1.854 1.00 0.11 N ATOM 235 CA THR A 15 -9.588 4.180 1.272 1.00 0.13 C ATOM 236 C THR A 15 -8.977 5.384 0.555 1.00 0.14 C ATOM 237 O THR A 15 -9.679 6.191 -0.058 1.00 0.23 O ATOM 238 CB THR A 15 -10.571 4.666 2.354 1.00 0.15 C ATOM 239 OG1 THR A 15 -9.844 5.195 3.474 1.00 1.04 O ATOM 240 CG2 THR A 15 -11.477 3.534 2.821 1.00 1.14 C ATOM 241 H THR A 15 -8.193 3.576 2.742 1.00 0.16 H ATOM 242 HA THR A 15 -10.134 3.584 0.554 1.00 0.14 H ATOM 243 HB THR A 15 -11.184 5.450 1.932 1.00 0.78 H ATOM 244 HG1 THR A 15 -9.506 4.467 4.013 1.00 1.52 H ATOM 245 HG21 THR A 15 -10.874 2.726 3.208 1.00 1.64 H ATOM 246 HG22 THR A 15 -12.068 3.177 1.991 1.00 1.69 H ATOM 247 HG23 THR A 15 -12.132 3.896 3.599 1.00 1.71 H ATOM 248 N ARG A 16 -7.657 5.489 0.629 1.00 0.12 N ATOM 249 CA ARG A 16 -6.931 6.596 0.025 1.00 0.15 C ATOM 250 C ARG A 16 -5.792 6.063 -0.839 1.00 0.12 C ATOM 251 O ARG A 16 -5.023 5.196 -0.412 1.00 0.11 O ATOM 252 CB ARG A 16 -6.368 7.513 1.113 1.00 0.24 C ATOM 253 CG ARG A 16 -7.422 8.185 1.974 1.00 0.41 C ATOM 254 CD ARG A 16 -6.777 8.998 3.086 1.00 1.07 C ATOM 255 NE ARG A 16 -7.751 9.782 3.843 1.00 1.91 N ATOM 256 CZ ARG A 16 -7.430 10.585 4.854 1.00 2.74 C ATOM 257 NH1 ARG A 16 -6.170 10.675 5.257 1.00 3.03 N1+ ATOM 258 NH2 ARG A 16 -8.369 11.292 5.467 1.00 3.72 N ATOM 259 H ARG A 16 -7.154 4.796 1.100 1.00 0.16 H ATOM 260 HA ARG A 16 -7.618 7.151 -0.594 1.00 0.20 H ATOM 261 HB2 ARG A 16 -5.732 6.932 1.760 1.00 0.27 H ATOM 262 HB3 ARG A 16 -5.775 8.286 0.645 1.00 0.26 H ATOM 263 HG2 ARG A 16 -8.016 8.841 1.355 1.00 0.82 H ATOM 264 HG3 ARG A 16 -8.054 7.426 2.412 1.00 0.85 H ATOM 265 HD2 ARG A 16 -6.273 8.325 3.759 1.00 1.62 H ATOM 266 HD3 ARG A 16 -6.054 9.669 2.647 1.00 1.63 H ATOM 267 HE ARG A 16 -8.694 9.717 3.567 1.00 2.32 H ATOM 268 HH11 ARG A 16 -5.925 11.281 6.016 1.00 3.79 H ATOM 269 HH12 ARG A 16 -5.457 10.133 4.807 1.00 2.82 H ATOM 270 HH21 ARG A 16 -8.131 11.899 6.229 1.00 4.35 H ATOM 271 HH22 ARG A 16 -9.326 11.226 5.168 1.00 4.03 H ATOM 272 N SER A 17 -5.685 6.596 -2.049 1.00 0.15 N ATOM 273 CA SER A 17 -4.674 6.160 -3.002 1.00 0.17 C ATOM 274 C SER A 17 -3.280 6.556 -2.533 1.00 0.16 C ATOM 275 O SER A 17 -2.330 5.787 -2.660 1.00 0.20 O ATOM 276 CB SER A 17 -4.972 6.770 -4.371 1.00 0.24 C ATOM 277 OG SER A 17 -5.324 8.138 -4.245 1.00 0.81 O ATOM 278 H SER A 17 -6.298 7.318 -2.310 1.00 0.18 H ATOM 279 HA SER A 17 -4.727 5.084 -3.077 1.00 0.20 H ATOM 280 HB2 SER A 17 -4.097 6.692 -4.997 1.00 0.58 H ATOM 281 HB3 SER A 17 -5.795 6.241 -4.830 1.00 0.65 H ATOM 282 HG SER A 17 -4.890 8.645 -4.942 1.00 1.18 H ATOM 283 N ASP A 18 -3.172 7.756 -1.973 1.00 0.16 N ATOM 284 CA ASP A 18 -1.901 8.247 -1.448 1.00 0.22 C ATOM 285 C ASP A 18 -1.502 7.468 -0.206 1.00 0.15 C ATOM 286 O ASP A 18 -0.323 7.380 0.136 1.00 0.16 O ATOM 287 CB ASP A 18 -1.985 9.734 -1.108 1.00 0.34 C ATOM 288 CG ASP A 18 -2.228 10.598 -2.325 1.00 0.98 C ATOM 289 OD1 ASP A 18 -1.267 10.856 -3.081 1.00 1.69 O ATOM 290 OD2 ASP A 18 -3.380 11.031 -2.532 1.00 1.12 O1- ATOM 291 H ASP A 18 -3.965 8.334 -1.928 1.00 0.16 H ATOM 292 HA ASP A 18 -1.149 8.102 -2.207 1.00 0.29 H ATOM 293 HB2 ASP A 18 -2.792 9.891 -0.410 1.00 0.91 H ATOM 294 HB3 ASP A 18 -1.058 10.041 -0.651 1.00 0.89 H ATOM 295 N GLU A 19 -2.494 6.910 0.471 1.00 0.11 N ATOM 296 CA GLU A 19 -2.254 6.109 1.658 1.00 0.10 C ATOM 297 C GLU A 19 -1.688 4.762 1.237 1.00 0.08 C ATOM 298 O GLU A 19 -0.761 4.241 1.860 1.00 0.10 O ATOM 299 CB GLU A 19 -3.555 5.936 2.445 1.00 0.12 C ATOM 300 CG GLU A 19 -3.372 5.369 3.839 1.00 0.17 C ATOM 301 CD GLU A 19 -4.653 5.413 4.646 1.00 1.01 C ATOM 302 OE1 GLU A 19 -5.372 4.391 4.687 1.00 1.86 O ATOM 303 OE2 GLU A 19 -4.951 6.465 5.243 1.00 1.13 O1- ATOM 304 H GLU A 19 -3.411 7.034 0.157 1.00 0.11 H ATOM 305 HA GLU A 19 -1.528 6.623 2.269 1.00 0.12 H ATOM 306 HB2 GLU A 19 -4.034 6.896 2.536 1.00 0.16 H ATOM 307 HB3 GLU A 19 -4.205 5.272 1.895 1.00 0.14 H ATOM 308 HG2 GLU A 19 -3.051 4.342 3.754 1.00 0.77 H ATOM 309 HG3 GLU A 19 -2.616 5.942 4.355 1.00 0.77 H ATOM 310 N LEU A 20 -2.245 4.216 0.160 1.00 0.08 N ATOM 311 CA LEU A 20 -1.705 3.012 -0.453 1.00 0.10 C ATOM 312 C LEU A 20 -0.278 3.251 -0.925 1.00 0.10 C ATOM 313 O LEU A 20 0.602 2.431 -0.689 1.00 0.11 O ATOM 314 CB LEU A 20 -2.574 2.566 -1.633 1.00 0.12 C ATOM 315 CG LEU A 20 -1.948 1.480 -2.516 1.00 0.14 C ATOM 316 CD1 LEU A 20 -1.719 0.208 -1.723 1.00 0.15 C ATOM 317 CD2 LEU A 20 -2.820 1.198 -3.728 1.00 0.20 C ATOM 318 H LEU A 20 -3.047 4.631 -0.225 1.00 0.08 H ATOM 319 HA LEU A 20 -1.697 2.232 0.294 1.00 0.11 H ATOM 320 HB2 LEU A 20 -3.509 2.192 -1.240 1.00 0.13 H ATOM 321 HB3 LEU A 20 -2.780 3.429 -2.248 1.00 0.12 H ATOM 322 HG LEU A 20 -0.988 1.826 -2.868 1.00 0.13 H ATOM 323 HD11 LEU A 20 -1.236 -0.523 -2.354 1.00 0.99 H ATOM 324 HD12 LEU A 20 -2.668 -0.181 -1.383 1.00 0.94 H ATOM 325 HD13 LEU A 20 -1.088 0.422 -0.872 1.00 1.04 H ATOM 326 HD21 LEU A 20 -2.289 0.544 -4.405 1.00 0.97 H ATOM 327 HD22 LEU A 20 -3.054 2.123 -4.230 1.00 0.98 H ATOM 328 HD23 LEU A 20 -3.731 0.718 -3.409 1.00 1.10 H ATOM 329 N GLN A 21 -0.058 4.377 -1.591 1.00 0.12 N ATOM 330 CA GLN A 21 1.269 4.726 -2.082 1.00 0.16 C ATOM 331 C GLN A 21 2.266 4.853 -0.934 1.00 0.13 C ATOM 332 O GLN A 21 3.381 4.327 -1.009 1.00 0.14 O ATOM 333 CB GLN A 21 1.220 6.023 -2.888 1.00 0.21 C ATOM 334 CG GLN A 21 0.515 5.875 -4.224 1.00 1.16 C ATOM 335 CD GLN A 21 1.231 4.907 -5.148 1.00 1.70 C ATOM 336 OE1 GLN A 21 0.955 3.706 -5.154 1.00 2.24 O ATOM 337 NE2 GLN A 21 2.161 5.423 -5.930 1.00 2.40 N ATOM 338 H GLN A 21 -0.811 4.982 -1.771 1.00 0.13 H ATOM 339 HA GLN A 21 1.594 3.927 -2.732 1.00 0.18 H ATOM 340 HB2 GLN A 21 0.703 6.773 -2.310 1.00 0.90 H ATOM 341 HB3 GLN A 21 2.231 6.356 -3.073 1.00 0.90 H ATOM 342 HG2 GLN A 21 -0.488 5.512 -4.052 1.00 1.86 H ATOM 343 HG3 GLN A 21 0.471 6.841 -4.703 1.00 1.85 H ATOM 344 HE21 GLN A 21 2.333 6.390 -5.872 1.00 2.64 H ATOM 345 HE22 GLN A 21 2.648 4.819 -6.531 1.00 2.98 H ATOM 346 N ARG A 22 1.861 5.541 0.131 1.00 0.13 N ATOM 347 CA ARG A 22 2.719 5.688 1.299 1.00 0.14 C ATOM 348 C ARG A 22 3.071 4.316 1.859 1.00 0.09 C ATOM 349 O ARG A 22 4.246 4.002 2.065 1.00 0.11 O ATOM 350 CB ARG A 22 2.051 6.547 2.376 1.00 0.21 C ATOM 351 CG ARG A 22 2.953 6.811 3.571 1.00 0.35 C ATOM 352 CD ARG A 22 2.263 7.669 4.617 1.00 0.50 C ATOM 353 NE ARG A 22 3.128 7.911 5.770 1.00 1.17 N ATOM 354 CZ ARG A 22 2.822 8.724 6.778 1.00 1.79 C ATOM 355 NH1 ARG A 22 1.664 9.376 6.786 1.00 1.82 N1+ ATOM 356 NH2 ARG A 22 3.679 8.884 7.780 1.00 2.56 N ATOM 357 H ARG A 22 0.972 5.962 0.126 1.00 0.14 H ATOM 358 HA ARG A 22 3.628 6.171 0.977 1.00 0.18 H ATOM 359 HB2 ARG A 22 1.770 7.495 1.944 1.00 0.24 H ATOM 360 HB3 ARG A 22 1.164 6.046 2.726 1.00 0.23 H ATOM 361 HG2 ARG A 22 3.224 5.867 4.017 1.00 0.36 H ATOM 362 HG3 ARG A 22 3.843 7.320 3.231 1.00 0.41 H ATOM 363 HD2 ARG A 22 1.997 8.616 4.172 1.00 0.81 H ATOM 364 HD3 ARG A 22 1.368 7.162 4.948 1.00 0.88 H ATOM 365 HE ARG A 22 3.990 7.433 5.793 1.00 1.39 H ATOM 366 HH11 ARG A 22 1.434 9.991 7.546 1.00 2.35 H ATOM 367 HH12 ARG A 22 1.012 9.253 6.034 1.00 1.47 H ATOM 368 HH21 ARG A 22 4.554 8.392 7.779 1.00 2.72 H ATOM 369 HH22 ARG A 22 3.455 9.494 8.545 1.00 3.05 H ATOM 370 N HIS A 23 2.048 3.492 2.068 1.00 0.07 N ATOM 371 CA HIS A 23 2.245 2.130 2.541 1.00 0.08 C ATOM 372 C HIS A 23 3.180 1.367 1.603 1.00 0.08 C ATOM 373 O HIS A 23 4.106 0.703 2.049 1.00 0.10 O ATOM 374 CB HIS A 23 0.892 1.404 2.661 1.00 0.12 C ATOM 375 CG HIS A 23 1.016 -0.090 2.697 1.00 0.11 C ATOM 376 ND1 HIS A 23 1.090 -0.853 3.860 1.00 0.14 N ATOM 377 CD2 HIS A 23 1.173 -0.956 1.667 1.00 0.11 C ATOM 378 CE1 HIS A 23 1.310 -2.133 3.492 1.00 0.14 C ATOM 379 NE2 HIS A 23 1.364 -2.209 2.186 1.00 0.11 N ATOM 380 H HIS A 23 1.133 3.808 1.892 1.00 0.10 H ATOM 381 HA HIS A 23 2.703 2.180 3.518 1.00 0.11 H ATOM 382 HB2 HIS A 23 0.401 1.720 3.569 1.00 0.14 H ATOM 383 HB3 HIS A 23 0.277 1.667 1.813 1.00 0.13 H ATOM 384 HD1 HIS A 23 0.996 -0.521 4.781 1.00 0.16 H ATOM 385 HD2 HIS A 23 1.125 -0.715 0.616 1.00 0.11 H ATOM 386 HE1 HIS A 23 1.422 -2.965 4.170 1.00 0.17 H ATOM 387 N LYS A 24 2.928 1.475 0.308 1.00 0.10 N ATOM 388 CA LYS A 24 3.697 0.758 -0.705 1.00 0.18 C ATOM 389 C LYS A 24 5.191 1.040 -0.581 1.00 0.14 C ATOM 390 O LYS A 24 6.025 0.176 -0.872 1.00 0.16 O ATOM 391 CB LYS A 24 3.207 1.144 -2.102 1.00 0.29 C ATOM 392 CG LYS A 24 3.943 0.452 -3.236 1.00 0.43 C ATOM 393 CD LYS A 24 3.467 0.954 -4.589 1.00 1.11 C ATOM 394 CE LYS A 24 2.011 0.585 -4.851 1.00 1.80 C ATOM 395 NZ LYS A 24 1.516 1.175 -6.122 1.00 2.17 N1+ ATOM 396 H LYS A 24 2.185 2.051 0.020 1.00 0.10 H ATOM 397 HA LYS A 24 3.531 -0.298 -0.558 1.00 0.23 H ATOM 398 HB2 LYS A 24 2.161 0.893 -2.181 1.00 0.32 H ATOM 399 HB3 LYS A 24 3.321 2.210 -2.227 1.00 0.32 H ATOM 400 HG2 LYS A 24 5.000 0.651 -3.140 1.00 0.98 H ATOM 401 HG3 LYS A 24 3.766 -0.612 -3.172 1.00 0.93 H ATOM 402 HD2 LYS A 24 3.563 2.030 -4.615 1.00 1.79 H ATOM 403 HD3 LYS A 24 4.086 0.518 -5.360 1.00 1.66 H ATOM 404 HE2 LYS A 24 1.927 -0.490 -4.907 1.00 2.31 H ATOM 405 HE3 LYS A 24 1.405 0.951 -4.035 1.00 2.44 H ATOM 406 HZ1 LYS A 24 0.563 0.822 -6.334 1.00 2.32 H ATOM 407 HZ2 LYS A 24 2.148 0.924 -6.907 1.00 2.51 H ATOM 408 HZ3 LYS A 24 1.475 2.213 -6.038 1.00 2.71 H ATOM 409 N ARG A 25 5.530 2.239 -0.120 1.00 0.14 N ATOM 410 CA ARG A 25 6.929 2.628 0.009 1.00 0.18 C ATOM 411 C ARG A 25 7.641 1.841 1.112 1.00 0.10 C ATOM 412 O ARG A 25 8.855 1.967 1.280 1.00 0.14 O ATOM 413 CB ARG A 25 7.047 4.130 0.251 1.00 0.33 C ATOM 414 CG ARG A 25 6.566 4.957 -0.929 1.00 0.48 C ATOM 415 CD ARG A 25 6.573 6.444 -0.621 1.00 0.65 C ATOM 416 NE ARG A 25 7.918 6.954 -0.375 1.00 1.51 N ATOM 417 CZ ARG A 25 8.172 8.181 0.070 1.00 1.93 C ATOM 418 NH1 ARG A 25 7.173 9.027 0.296 1.00 1.52 N1+ ATOM 419 NH2 ARG A 25 9.421 8.563 0.283 1.00 3.06 N ATOM 420 H ARG A 25 4.821 2.877 0.138 1.00 0.13 H ATOM 421 HA ARG A 25 7.408 2.397 -0.929 1.00 0.25 H ATOM 422 HB2 ARG A 25 6.459 4.392 1.115 1.00 0.37 H ATOM 423 HB3 ARG A 25 8.082 4.376 0.439 1.00 0.33 H ATOM 424 HG2 ARG A 25 7.216 4.772 -1.771 1.00 0.53 H ATOM 425 HG3 ARG A 25 5.560 4.654 -1.179 1.00 0.49 H ATOM 426 HD2 ARG A 25 6.150 6.973 -1.461 1.00 1.08 H ATOM 427 HD3 ARG A 25 5.967 6.621 0.255 1.00 1.32 H ATOM 428 HE ARG A 25 8.674 6.344 -0.548 1.00 2.12 H ATOM 429 HH11 ARG A 25 6.225 8.744 0.131 1.00 1.26 H ATOM 430 HH12 ARG A 25 7.363 9.953 0.633 1.00 1.93 H ATOM 431 HH21 ARG A 25 9.616 9.488 0.621 1.00 3.40 H ATOM 432 HH22 ARG A 25 10.181 7.933 0.097 1.00 3.64 H ATOM 433 N THR A 26 6.895 1.032 1.860 1.00 0.09 N ATOM 434 CA THR A 26 7.510 0.117 2.812 1.00 0.14 C ATOM 435 C THR A 26 8.151 -1.042 2.062 1.00 0.15 C ATOM 436 O THR A 26 9.208 -1.547 2.445 1.00 0.24 O ATOM 437 CB THR A 26 6.499 -0.443 3.838 1.00 0.22 C ATOM 438 OG1 THR A 26 5.450 -1.157 3.171 1.00 0.24 O ATOM 439 CG2 THR A 26 5.901 0.671 4.684 1.00 0.26 C ATOM 440 H THR A 26 5.917 1.051 1.769 1.00 0.09 H ATOM 441 HA THR A 26 8.278 0.658 3.344 1.00 0.17 H ATOM 442 HB THR A 26 7.023 -1.124 4.491 1.00 0.28 H ATOM 443 HG1 THR A 26 4.808 -0.524 2.813 1.00 0.18 H ATOM 444 HG21 THR A 26 5.191 0.251 5.381 1.00 0.96 H ATOM 445 HG22 THR A 26 5.397 1.381 4.043 1.00 1.09 H ATOM 446 HG23 THR A 26 6.687 1.172 5.229 1.00 1.06 H ATOM 447 N HIS A 27 7.506 -1.448 0.973 1.00 0.13 N ATOM 448 CA HIS A 27 8.029 -2.509 0.131 1.00 0.17 C ATOM 449 C HIS A 27 9.104 -1.941 -0.780 1.00 0.19 C ATOM 450 O HIS A 27 10.240 -2.413 -0.791 1.00 0.29 O ATOM 451 CB HIS A 27 6.924 -3.150 -0.718 1.00 0.18 C ATOM 452 CG HIS A 27 5.728 -3.632 0.050 1.00 0.16 C ATOM 453 ND1 HIS A 27 5.763 -4.610 1.041 1.00 0.19 N ATOM 454 CD2 HIS A 27 4.429 -3.259 -0.061 1.00 0.13 C ATOM 455 CE1 HIS A 27 4.502 -4.791 1.485 1.00 0.18 C ATOM 456 NE2 HIS A 27 3.690 -3.995 0.840 1.00 0.14 N ATOM 457 H HIS A 27 6.660 -1.013 0.726 1.00 0.14 H ATOM 458 HA HIS A 27 8.468 -3.258 0.769 1.00 0.20 H ATOM 459 HB2 HIS A 27 6.574 -2.424 -1.438 1.00 0.18 H ATOM 460 HB3 HIS A 27 7.337 -3.994 -1.249 1.00 0.20 H ATOM 461 HD1 HIS A 27 6.563 -5.090 1.356 1.00 0.22 H ATOM 462 HD2 HIS A 27 4.029 -2.528 -0.747 1.00 0.13 H ATOM 463 HE1 HIS A 27 4.206 -5.490 2.253 1.00 0.21 H