ATOM 164 N PHE A 12 9.007 -10.215 -3.038 1.00 2.45 N ATOM 165 CA PHE A 12 8.400 -11.328 -3.757 1.00 2.25 C ATOM 166 C PHE A 12 6.895 -11.126 -3.820 1.00 1.95 C ATOM 167 O PHE A 12 6.303 -10.548 -2.910 1.00 2.28 O ATOM 168 CB PHE A 12 8.717 -12.670 -3.086 1.00 2.42 C ATOM 169 CG PHE A 12 10.176 -13.028 -3.105 1.00 2.80 C ATOM 170 CD1 PHE A 12 10.897 -13.125 -1.927 1.00 3.08 C ATOM 171 CD2 PHE A 12 10.824 -13.271 -4.305 1.00 3.13 C ATOM 172 CE1 PHE A 12 12.236 -13.457 -1.944 1.00 3.48 C ATOM 173 CE2 PHE A 12 12.165 -13.603 -4.328 1.00 3.56 C ATOM 174 CZ PHE A 12 12.872 -13.697 -3.147 1.00 3.65 C ATOM 175 H PHE A 12 9.113 -10.271 -2.066 1.00 2.53 H ATOM 176 HA PHE A 12 8.796 -11.330 -4.761 1.00 2.41 H ATOM 177 HB2 PHE A 12 8.399 -12.631 -2.057 1.00 2.45 H ATOM 178 HB3 PHE A 12 8.175 -13.455 -3.594 1.00 2.40 H ATOM 179 HD1 PHE A 12 10.402 -12.938 -0.983 1.00 3.16 H ATOM 180 HD2 PHE A 12 10.271 -13.198 -5.230 1.00 3.21 H ATOM 181 HE1 PHE A 12 12.788 -13.529 -1.019 1.00 3.80 H ATOM 182 HE2 PHE A 12 12.658 -13.790 -5.270 1.00 3.96 H ATOM 183 HZ PHE A 12 13.918 -13.956 -3.162 1.00 4.02 H ATOM 184 N SER A 13 6.276 -11.588 -4.890 1.00 1.75 N ATOM 185 CA SER A 13 4.853 -11.380 -5.077 1.00 1.60 C ATOM 186 C SER A 13 4.183 -12.629 -5.645 1.00 1.44 C ATOM 187 O SER A 13 4.657 -13.209 -6.622 1.00 1.57 O ATOM 188 CB SER A 13 4.633 -10.187 -6.010 1.00 1.90 C ATOM 189 OG SER A 13 5.263 -9.022 -5.504 1.00 2.42 O ATOM 190 H SER A 13 6.783 -12.075 -5.573 1.00 2.00 H ATOM 191 HA SER A 13 4.424 -11.155 -4.113 1.00 1.60 H ATOM 192 HB2 SER A 13 5.049 -10.410 -6.981 1.00 2.46 H ATOM 193 HB3 SER A 13 3.576 -9.996 -6.111 1.00 1.95 H ATOM 194 HG SER A 13 5.550 -9.182 -4.596 1.00 2.58 H ATOM 195 N VAL A 14 3.093 -13.054 -5.009 1.00 1.28 N ATOM 196 CA VAL A 14 2.290 -14.165 -5.520 1.00 1.25 C ATOM 197 C VAL A 14 1.462 -13.721 -6.723 1.00 1.26 C ATOM 198 O VAL A 14 0.972 -14.544 -7.498 1.00 1.41 O ATOM 199 CB VAL A 14 1.345 -14.740 -4.438 1.00 1.25 C ATOM 200 CG1 VAL A 14 2.141 -15.400 -3.326 1.00 1.39 C ATOM 201 CG2 VAL A 14 0.438 -13.654 -3.870 1.00 1.24 C ATOM 202 H VAL A 14 2.833 -12.624 -4.166 1.00 1.30 H ATOM 203 HA VAL A 14 2.968 -14.948 -5.832 1.00 1.38 H ATOM 204 HB VAL A 14 0.721 -15.493 -4.898 1.00 1.32 H ATOM 205 HG11 VAL A 14 1.462 -15.796 -2.585 1.00 1.71 H ATOM 206 HG12 VAL A 14 2.790 -14.671 -2.867 1.00 1.71 H ATOM 207 HG13 VAL A 14 2.734 -16.204 -3.736 1.00 1.80 H ATOM 208 HG21 VAL A 14 1.037 -12.910 -3.368 1.00 1.67 H ATOM 209 HG22 VAL A 14 -0.252 -14.094 -3.164 1.00 1.50 H ATOM 210 HG23 VAL A 14 -0.114 -13.189 -4.674 1.00 1.68 H ATOM 211 N CYS A 15 1.309 -12.411 -6.854 1.00 1.22 N ATOM 212 CA CYS A 15 0.598 -11.815 -7.973 1.00 1.33 C ATOM 213 C CYS A 15 1.477 -10.760 -8.633 1.00 1.39 C ATOM 214 O CYS A 15 2.083 -9.937 -7.944 1.00 1.49 O ATOM 215 CB CYS A 15 -0.705 -11.169 -7.491 1.00 1.35 C ATOM 216 SG CYS A 15 -1.844 -12.315 -6.649 1.00 1.75 S ATOM 217 H CYS A 15 1.687 -11.825 -6.175 1.00 1.21 H ATOM 218 HA CYS A 15 0.373 -12.593 -8.687 1.00 1.46 H ATOM 219 HB2 CYS A 15 -0.467 -10.376 -6.794 1.00 1.72 H ATOM 220 HB3 CYS A 15 -1.226 -10.752 -8.341 1.00 1.63 H ATOM 221 N ASP A 16 1.561 -10.797 -9.958 1.00 1.53 N ATOM 222 CA ASP A 16 2.362 -9.822 -10.696 1.00 1.63 C ATOM 223 C ASP A 16 1.748 -8.438 -10.572 1.00 1.54 C ATOM 224 O ASP A 16 0.639 -8.196 -11.049 1.00 1.55 O ATOM 225 CB ASP A 16 2.482 -10.212 -12.175 1.00 1.87 C ATOM 226 CG ASP A 16 3.240 -11.509 -12.376 1.00 2.23 C ATOM 227 OD1 ASP A 16 4.480 -11.503 -12.224 1.00 2.54 O ATOM 228 OD2 ASP A 16 2.605 -12.537 -12.694 1.00 2.87 O1+ ATOM 229 H ASP A 16 1.075 -11.492 -10.450 1.00 1.68 H ATOM 230 HA ASP A 16 3.350 -9.804 -10.254 1.00 1.64 H ATOM 231 HB2 ASP A 16 1.492 -10.326 -12.594 1.00 2.18 H ATOM 232 HB3 ASP A 16 3.002 -9.428 -12.706 1.00 1.93 H ATOM 233 N SER A 17 2.473 -7.531 -9.940 1.00 1.51 N ATOM 234 CA SER A 17 1.954 -6.206 -9.660 1.00 1.43 C ATOM 235 C SER A 17 2.873 -5.113 -10.197 1.00 1.41 C ATOM 236 O SER A 17 4.078 -5.319 -10.368 1.00 1.52 O ATOM 237 CB SER A 17 1.746 -6.045 -8.152 1.00 1.41 C ATOM 238 OG SER A 17 2.847 -6.571 -7.431 1.00 1.72 O ATOM 239 H SER A 17 3.385 -7.757 -9.653 1.00 1.56 H ATOM 240 HA SER A 17 1.001 -6.120 -10.152 1.00 1.44 H ATOM 241 HB2 SER A 17 1.645 -4.995 -7.914 1.00 1.72 H ATOM 242 HB3 SER A 17 0.850 -6.573 -7.857 1.00 1.57 H ATOM 243 HG SER A 17 2.883 -7.527 -7.552 1.00 1.91 H ATOM 244 N VAL A 18 2.285 -3.958 -10.472 1.00 1.34 N ATOM 245 CA VAL A 18 3.018 -2.813 -10.975 1.00 1.35 C ATOM 246 C VAL A 18 2.836 -1.618 -10.041 1.00 1.21 C ATOM 247 O VAL A 18 1.726 -1.120 -9.856 1.00 1.13 O ATOM 248 CB VAL A 18 2.566 -2.449 -12.410 1.00 1.46 C ATOM 249 CG1 VAL A 18 1.057 -2.282 -12.491 1.00 1.43 C ATOM 250 CG2 VAL A 18 3.270 -1.194 -12.894 1.00 1.51 C ATOM 251 H VAL A 18 1.318 -3.868 -10.320 1.00 1.30 H ATOM 252 HA VAL A 18 4.064 -3.080 -11.008 1.00 1.44 H ATOM 253 HB VAL A 18 2.844 -3.261 -13.064 1.00 1.57 H ATOM 254 HG11 VAL A 18 0.742 -1.510 -11.803 1.00 1.78 H ATOM 255 HG12 VAL A 18 0.577 -3.213 -12.229 1.00 1.77 H ATOM 256 HG13 VAL A 18 0.779 -2.004 -13.496 1.00 1.72 H ATOM 257 HG21 VAL A 18 3.075 -0.384 -12.208 1.00 1.82 H ATOM 258 HG22 VAL A 18 2.903 -0.932 -13.875 1.00 1.79 H ATOM 259 HG23 VAL A 18 4.334 -1.376 -12.944 1.00 1.88 H ATOM 260 N SER A 19 3.924 -1.180 -9.431 1.00 1.23 N ATOM 261 CA SER A 19 3.879 -0.042 -8.527 1.00 1.14 C ATOM 262 C SER A 19 4.435 1.191 -9.227 1.00 1.11 C ATOM 263 O SER A 19 5.605 1.221 -9.621 1.00 1.20 O ATOM 264 CB SER A 19 4.670 -0.341 -7.246 1.00 1.27 C ATOM 265 OG SER A 19 4.426 0.637 -6.247 1.00 1.66 O ATOM 266 H SER A 19 4.780 -1.630 -9.596 1.00 1.34 H ATOM 267 HA SER A 19 2.846 0.140 -8.271 1.00 1.07 H ATOM 268 HB2 SER A 19 4.378 -1.306 -6.860 1.00 1.63 H ATOM 269 HB3 SER A 19 5.728 -0.349 -7.472 1.00 1.54 H ATOM 270 HG SER A 19 3.510 0.551 -5.936 1.00 1.95 H ATOM 271 N VAL A 20 3.595 2.199 -9.400 1.00 1.01 N ATOM 272 CA VAL A 20 3.983 3.401 -10.112 1.00 0.99 C ATOM 273 C VAL A 20 3.878 4.621 -9.214 1.00 0.95 C ATOM 274 O VAL A 20 2.929 4.752 -8.448 1.00 0.90 O ATOM 275 CB VAL A 20 3.090 3.624 -11.353 1.00 0.95 C ATOM 276 CG1 VAL A 20 3.507 4.871 -12.115 1.00 0.98 C ATOM 277 CG2 VAL A 20 3.115 2.407 -12.258 1.00 1.03 C ATOM 278 H VAL A 20 2.680 2.131 -9.038 1.00 0.97 H ATOM 279 HA VAL A 20 5.005 3.287 -10.440 1.00 1.08 H ATOM 280 HB VAL A 20 2.078 3.769 -11.015 1.00 0.89 H ATOM 281 HG11 VAL A 20 3.363 5.738 -11.486 1.00 1.54 H ATOM 282 HG12 VAL A 20 2.903 4.968 -13.005 1.00 1.34 H ATOM 283 HG13 VAL A 20 4.547 4.796 -12.390 1.00 1.37 H ATOM 284 HG21 VAL A 20 2.740 1.553 -11.714 1.00 1.48 H ATOM 285 HG22 VAL A 20 4.129 2.213 -12.576 1.00 1.55 H ATOM 286 HG23 VAL A 20 2.493 2.586 -13.122 1.00 1.35 H ATOM 287 N TRP A 21 4.858 5.500 -9.304 1.00 1.02 N ATOM 288 CA TRP A 21 4.779 6.786 -8.642 1.00 1.01 C ATOM 289 C TRP A 21 4.415 7.837 -9.679 1.00 0.96 C ATOM 290 O TRP A 21 5.278 8.355 -10.390 1.00 1.02 O ATOM 291 CB TRP A 21 6.100 7.131 -7.948 1.00 1.15 C ATOM 292 CG TRP A 21 6.414 6.238 -6.781 1.00 1.23 C ATOM 293 CD1 TRP A 21 7.021 5.016 -6.824 1.00 1.45 C ATOM 294 CD2 TRP A 21 6.133 6.497 -5.398 1.00 1.24 C ATOM 295 NE1 TRP A 21 7.135 4.500 -5.557 1.00 1.61 N ATOM 296 CE2 TRP A 21 6.599 5.390 -4.664 1.00 1.44 C ATOM 297 CE3 TRP A 21 5.533 7.558 -4.708 1.00 1.26 C ATOM 298 CZ2 TRP A 21 6.485 5.314 -3.275 1.00 1.54 C ATOM 299 CZ3 TRP A 21 5.422 7.481 -3.331 1.00 1.35 C ATOM 300 CH2 TRP A 21 5.895 6.367 -2.628 1.00 1.44 C ATOM 301 H TRP A 21 5.647 5.284 -9.842 1.00 1.11 H ATOM 302 HA TRP A 21 3.989 6.733 -7.905 1.00 0.98 H ATOM 303 HB2 TRP A 21 6.907 7.042 -8.661 1.00 1.19 H ATOM 304 HB3 TRP A 21 6.055 8.149 -7.590 1.00 1.29 H ATOM 305 HD1 TRP A 21 7.357 4.534 -7.732 1.00 1.57 H ATOM 306 HE1 TRP A 21 7.539 3.631 -5.329 1.00 1.86 H ATOM 307 HE3 TRP A 21 5.159 8.426 -5.232 1.00 1.31 H ATOM 308 HZ2 TRP A 21 6.846 4.461 -2.718 1.00 1.76 H ATOM 309 HZ3 TRP A 21 4.962 8.291 -2.783 1.00 1.46 H ATOM 310 HH2 TRP A 21 5.786 6.351 -1.553 1.00 1.54 H ATOM 311 N VAL A 22 3.130 8.125 -9.765 1.00 0.88 N ATOM 312 CA VAL A 22 2.599 9.003 -10.791 1.00 0.86 C ATOM 313 C VAL A 22 2.810 10.462 -10.416 1.00 0.94 C ATOM 314 O VAL A 22 2.199 10.963 -9.474 1.00 0.96 O ATOM 315 CB VAL A 22 1.093 8.744 -11.010 1.00 0.81 C ATOM 316 CG1 VAL A 22 0.555 9.590 -12.150 1.00 0.85 C ATOM 317 CG2 VAL A 22 0.830 7.269 -11.269 1.00 0.81 C ATOM 318 H VAL A 22 2.511 7.734 -9.108 1.00 0.85 H ATOM 319 HA VAL A 22 3.119 8.794 -11.714 1.00 0.90 H ATOM 320 HB VAL A 22 0.569 9.024 -10.110 1.00 0.82 H ATOM 321 HG11 VAL A 22 0.650 10.634 -11.897 1.00 1.41 H ATOM 322 HG12 VAL A 22 -0.484 9.352 -12.314 1.00 1.25 H ATOM 323 HG13 VAL A 22 1.119 9.384 -13.047 1.00 1.33 H ATOM 324 HG21 VAL A 22 1.354 6.961 -12.164 1.00 1.38 H ATOM 325 HG22 VAL A 22 -0.229 7.109 -11.399 1.00 1.27 H ATOM 326 HG23 VAL A 22 1.182 6.687 -10.430 1.00 1.27 H ATOM 327 N GLY A 23 3.677 11.135 -11.152 1.00 1.04 N ATOM 328 CA GLY A 23 3.944 12.532 -10.884 1.00 1.18 C ATOM 329 C GLY A 23 3.070 13.451 -11.710 1.00 1.12 C ATOM 330 O GLY A 23 3.315 14.655 -11.776 1.00 1.27 O ATOM 331 H GLY A 23 4.148 10.677 -11.884 1.00 1.08 H ATOM 332 HA2 GLY A 23 3.762 12.726 -9.836 1.00 1.30 H ATOM 333 HA3 GLY A 23 4.981 12.741 -11.109 1.00 1.36 H ATOM 334 N ASP A 24 2.056 12.882 -12.350 1.00 1.12 N ATOM 335 CA ASP A 24 1.138 13.661 -13.171 1.00 1.30 C ATOM 336 C ASP A 24 -0.205 12.942 -13.320 1.00 1.10 C ATOM 337 O ASP A 24 -0.624 12.596 -14.425 1.00 1.31 O ATOM 338 CB ASP A 24 1.758 13.931 -14.548 1.00 1.66 C ATOM 339 CG ASP A 24 0.946 14.909 -15.376 1.00 2.34 C ATOM 340 OD1 ASP A 24 0.524 14.545 -16.494 1.00 3.02 O ATOM 341 OD2 ASP A 24 0.713 16.043 -14.910 1.00 2.89 O1+ ATOM 342 H ASP A 24 1.923 11.913 -12.273 1.00 1.15 H ATOM 343 HA ASP A 24 0.969 14.605 -12.670 1.00 1.50 H ATOM 344 HB2 ASP A 24 2.750 14.339 -14.416 1.00 1.99 H ATOM 345 HB3 ASP A 24 1.824 12.999 -15.090 1.00 1.92 H ATOM 346 N LYS A 25 -0.864 12.691 -12.196 1.00 0.92 N ATOM 347 CA LYS A 25 -2.199 12.110 -12.213 1.00 0.84 C ATOM 348 C LYS A 25 -3.213 13.212 -12.493 1.00 0.91 C ATOM 349 O LYS A 25 -3.179 14.259 -11.853 1.00 1.32 O ATOM 350 CB LYS A 25 -2.498 11.424 -10.876 1.00 0.83 C ATOM 351 CG LYS A 25 -3.771 10.596 -10.881 1.00 0.78 C ATOM 352 CD LYS A 25 -3.931 9.804 -9.594 1.00 0.92 C ATOM 353 CE LYS A 25 -5.099 8.828 -9.682 1.00 1.02 C ATOM 354 NZ LYS A 25 -4.870 7.781 -10.713 1.00 1.09 N1+ ATOM 355 H LYS A 25 -0.446 12.904 -11.335 1.00 1.01 H ATOM 356 HA LYS A 25 -2.238 11.381 -13.011 1.00 0.91 H ATOM 357 HB2 LYS A 25 -1.672 10.775 -10.626 1.00 1.05 H ATOM 358 HB3 LYS A 25 -2.592 12.181 -10.111 1.00 1.06 H ATOM 359 HG2 LYS A 25 -4.616 11.257 -10.990 1.00 1.00 H ATOM 360 HG3 LYS A 25 -3.740 9.910 -11.713 1.00 0.99 H ATOM 361 HD2 LYS A 25 -3.023 9.252 -9.407 1.00 1.20 H ATOM 362 HD3 LYS A 25 -4.108 10.495 -8.782 1.00 1.18 H ATOM 363 HE2 LYS A 25 -5.230 8.349 -8.720 1.00 1.57 H ATOM 364 HE3 LYS A 25 -5.993 9.378 -9.933 1.00 1.51 H ATOM 365 HZ1 LYS A 25 -4.723 8.216 -11.645 1.00 1.57 H ATOM 366 HZ2 LYS A 25 -5.693 7.147 -10.769 1.00 1.64 H ATOM 367 HZ3 LYS A 25 -4.027 7.212 -10.472 1.00 1.56 H ATOM 368 N THR A 26 -4.105 12.990 -13.447 1.00 0.85 N ATOM 369 CA THR A 26 -4.979 14.055 -13.914 1.00 0.96 C ATOM 370 C THR A 26 -6.389 13.958 -13.326 1.00 0.88 C ATOM 371 O THR A 26 -7.040 14.978 -13.124 1.00 0.92 O ATOM 372 CB THR A 26 -5.044 14.095 -15.460 1.00 1.20 C ATOM 373 OG1 THR A 26 -5.836 15.205 -15.903 1.00 1.82 O ATOM 374 CG2 THR A 26 -5.613 12.805 -16.032 1.00 1.41 C ATOM 375 H THR A 26 -4.183 12.092 -13.836 1.00 1.00 H ATOM 376 HA THR A 26 -4.545 14.986 -13.582 1.00 1.04 H ATOM 377 HB THR A 26 -4.038 14.217 -15.836 1.00 1.48 H ATOM 378 HG1 THR A 26 -6.336 15.560 -15.158 1.00 2.12 H ATOM 379 HG21 THR A 26 -5.702 12.896 -17.104 1.00 1.83 H ATOM 380 HG22 THR A 26 -6.587 12.620 -15.605 1.00 1.82 H ATOM 381 HG23 THR A 26 -4.954 11.984 -15.796 1.00 1.88 H ATOM 382 N THR A 27 -6.857 12.752 -13.041 1.00 0.83 N ATOM 383 CA THR A 27 -8.195 12.569 -12.491 1.00 0.81 C ATOM 384 C THR A 27 -8.245 11.402 -11.518 1.00 0.75 C ATOM 385 O THR A 27 -7.533 10.411 -11.684 1.00 0.78 O ATOM 386 CB THR A 27 -9.245 12.355 -13.599 1.00 0.91 C ATOM 387 OG1 THR A 27 -8.663 11.644 -14.701 1.00 0.99 O ATOM 388 CG2 THR A 27 -9.812 13.681 -14.079 1.00 1.01 C ATOM 389 H THR A 27 -6.297 11.966 -13.203 1.00 0.85 H ATOM 390 HA THR A 27 -8.456 13.469 -11.957 1.00 0.82 H ATOM 391 HB THR A 27 -10.053 11.766 -13.191 1.00 0.92 H ATOM 392 HG1 THR A 27 -8.717 12.187 -15.497 1.00 1.26 H ATOM 393 HG21 THR A 27 -10.330 14.167 -13.264 1.00 1.43 H ATOM 394 HG22 THR A 27 -10.501 13.505 -14.890 1.00 1.37 H ATOM 395 HG23 THR A 27 -9.006 14.314 -14.419 1.00 1.54 H ATOM 396 N ALA A 28 -9.072 11.538 -10.494 1.00 0.73 N ATOM 397 CA ALA A 28 -9.256 10.481 -9.513 1.00 0.73 C ATOM 398 C ALA A 28 -10.648 10.555 -8.906 1.00 0.75 C ATOM 399 O ALA A 28 -11.366 11.542 -9.087 1.00 0.79 O ATOM 400 CB ALA A 28 -8.205 10.582 -8.422 1.00 0.71 C ATOM 401 H ALA A 28 -9.577 12.382 -10.390 1.00 0.75 H ATOM 402 HA ALA A 28 -9.138 9.533 -10.014 1.00 0.77 H ATOM 403 HB1 ALA A 28 -8.356 11.493 -7.860 1.00 1.18 H ATOM 404 HB2 ALA A 28 -7.221 10.595 -8.869 1.00 1.23 H ATOM 405 HB3 ALA A 28 -8.291 9.732 -7.760 1.00 1.29 H ATOM 406 N THR A 29 -11.021 9.507 -8.192 1.00 0.79 N ATOM 407 CA THR A 29 -12.308 9.458 -7.533 1.00 0.85 C ATOM 408 C THR A 29 -12.164 9.794 -6.054 1.00 0.84 C ATOM 409 O THR A 29 -11.444 9.117 -5.315 1.00 0.84 O ATOM 410 CB THR A 29 -12.963 8.074 -7.679 1.00 0.94 C ATOM 411 OG1 THR A 29 -12.977 7.677 -9.059 1.00 1.00 O ATOM 412 CG2 THR A 29 -14.388 8.090 -7.139 1.00 1.02 C ATOM 413 H THR A 29 -10.409 8.747 -8.101 1.00 0.80 H ATOM 414 HA THR A 29 -12.951 10.191 -7.999 1.00 0.88 H ATOM 415 HB THR A 29 -12.388 7.357 -7.114 1.00 0.94 H ATOM 416 HG1 THR A 29 -12.398 8.264 -9.567 1.00 1.09 H ATOM 417 HG21 THR A 29 -14.372 8.377 -6.097 1.00 1.46 H ATOM 418 HG22 THR A 29 -14.822 7.104 -7.234 1.00 1.53 H ATOM 419 HG23 THR A 29 -14.979 8.801 -7.699 1.00 1.36 H ATOM 420 N ASP A 30 -12.843 10.854 -5.645 1.00 0.89 N ATOM 421 CA ASP A 30 -12.868 11.292 -4.256 1.00 0.96 C ATOM 422 C ASP A 30 -13.644 10.287 -3.404 1.00 1.00 C ATOM 423 O ASP A 30 -14.458 9.522 -3.923 1.00 1.12 O ATOM 424 CB ASP A 30 -13.523 12.679 -4.180 1.00 1.08 C ATOM 425 CG ASP A 30 -13.703 13.179 -2.763 1.00 1.21 C ATOM 426 OD1 ASP A 30 -12.759 13.754 -2.195 1.00 1.58 O ATOM 427 OD2 ASP A 30 -14.814 13.025 -2.222 1.00 1.85 O1+ ATOM 428 H ASP A 30 -13.364 11.361 -6.310 1.00 0.92 H ATOM 429 HA ASP A 30 -11.849 11.354 -3.900 1.00 0.96 H ATOM 430 HB2 ASP A 30 -12.911 13.392 -4.715 1.00 1.18 H ATOM 431 HB3 ASP A 30 -14.499 12.627 -4.645 1.00 1.22 H ATOM 432 N ILE A 31 -13.387 10.306 -2.099 1.00 1.01 N ATOM 433 CA ILE A 31 -13.990 9.362 -1.159 1.00 1.08 C ATOM 434 C ILE A 31 -15.517 9.481 -1.133 1.00 1.14 C ATOM 435 O ILE A 31 -16.216 8.550 -0.734 1.00 1.23 O ATOM 436 CB ILE A 31 -13.419 9.574 0.269 1.00 1.14 C ATOM 437 CG1 ILE A 31 -13.948 8.511 1.241 1.00 1.24 C ATOM 438 CG2 ILE A 31 -13.751 10.973 0.778 1.00 1.18 C ATOM 439 CD1 ILE A 31 -13.343 8.600 2.628 1.00 1.33 C ATOM 440 H ILE A 31 -12.760 10.980 -1.753 1.00 1.04 H ATOM 441 HA ILE A 31 -13.729 8.364 -1.482 1.00 1.07 H ATOM 442 HB ILE A 31 -12.343 9.491 0.213 1.00 1.13 H ATOM 443 HG12 ILE A 31 -15.018 8.625 1.342 1.00 1.28 H ATOM 444 HG13 ILE A 31 -13.729 7.529 0.847 1.00 1.25 H ATOM 445 HG21 ILE A 31 -13.347 11.100 1.772 1.00 1.56 H ATOM 446 HG22 ILE A 31 -14.823 11.101 0.808 1.00 1.54 H ATOM 447 HG23 ILE A 31 -13.320 11.708 0.117 1.00 1.57 H ATOM 448 HD11 ILE A 31 -13.577 9.561 3.061 1.00 1.74 H ATOM 449 HD12 ILE A 31 -12.273 8.487 2.561 1.00 1.61 H ATOM 450 HD13 ILE A 31 -13.751 7.817 3.250 1.00 1.72 H ATOM 451 N LYS A 32 -16.031 10.625 -1.567 1.00 1.15 N ATOM 452 CA LYS A 32 -17.468 10.849 -1.616 1.00 1.23 C ATOM 453 C LYS A 32 -18.055 10.295 -2.910 1.00 1.23 C ATOM 454 O LYS A 32 -19.271 10.294 -3.103 1.00 1.36 O ATOM 455 CB LYS A 32 -17.767 12.342 -1.492 1.00 1.29 C ATOM 456 CG LYS A 32 -17.269 12.950 -0.191 1.00 1.34 C ATOM 457 CD LYS A 32 -17.476 14.452 -0.160 1.00 1.54 C ATOM 458 CE LYS A 32 -16.955 15.052 1.132 1.00 1.64 C ATOM 459 NZ LYS A 32 -17.128 16.529 1.181 1.00 2.22 N1+ ATOM 460 H LYS A 32 -15.425 11.348 -1.857 1.00 1.11 H ATOM 461 HA LYS A 32 -17.911 10.330 -0.783 1.00 1.30 H ATOM 462 HB2 LYS A 32 -17.291 12.860 -2.312 1.00 1.24 H ATOM 463 HB3 LYS A 32 -18.835 12.491 -1.552 1.00 1.37 H ATOM 464 HG2 LYS A 32 -17.803 12.508 0.633 1.00 1.43 H ATOM 465 HG3 LYS A 32 -16.214 12.742 -0.092 1.00 1.35 H ATOM 466 HD2 LYS A 32 -16.942 14.889 -0.987 1.00 1.63 H ATOM 467 HD3 LYS A 32 -18.530 14.667 -0.251 1.00 1.72 H ATOM 468 HE2 LYS A 32 -17.486 14.610 1.961 1.00 1.88 H ATOM 469 HE3 LYS A 32 -15.904 14.819 1.216 1.00 1.88 H ATOM 470 HZ1 LYS A 32 -16.769 16.903 2.083 1.00 2.65 H ATOM 471 HZ2 LYS A 32 -18.133 16.776 1.097 1.00 2.63 H ATOM 472 HZ3 LYS A 32 -16.605 16.982 0.403 1.00 2.63 H ATOM 473 N GLY A 33 -17.185 9.823 -3.790 1.00 1.14 N ATOM 474 CA GLY A 33 -17.633 9.244 -5.040 1.00 1.16 C ATOM 475 C GLY A 33 -17.662 10.257 -6.162 1.00 1.15 C ATOM 476 O GLY A 33 -18.444 10.132 -7.102 1.00 1.25 O ATOM 477 H GLY A 33 -16.224 9.861 -3.585 1.00 1.08 H ATOM 478 HA2 GLY A 33 -16.963 8.439 -5.312 1.00 1.14 H ATOM 479 HA3 GLY A 33 -18.629 8.844 -4.906 1.00 1.25 H ATOM 480 N LYS A 34 -16.813 11.267 -6.060 1.00 1.08 N ATOM 481 CA LYS A 34 -16.742 12.314 -7.068 1.00 1.10 C ATOM 482 C LYS A 34 -15.543 12.099 -7.977 1.00 1.03 C ATOM 483 O LYS A 34 -14.571 11.461 -7.591 1.00 1.10 O ATOM 484 CB LYS A 34 -16.627 13.683 -6.399 1.00 1.15 C ATOM 485 CG LYS A 34 -17.729 13.980 -5.397 1.00 1.24 C ATOM 486 CD LYS A 34 -19.103 13.991 -6.048 1.00 1.42 C ATOM 487 CE LYS A 34 -20.180 14.430 -5.071 1.00 1.61 C ATOM 488 NZ LYS A 34 -21.528 14.457 -5.697 1.00 2.14 N1+ ATOM 489 H LYS A 34 -16.215 11.312 -5.286 1.00 1.06 H ATOM 490 HA LYS A 34 -17.643 12.278 -7.657 1.00 1.18 H ATOM 491 HB2 LYS A 34 -15.681 13.732 -5.884 1.00 1.14 H ATOM 492 HB3 LYS A 34 -16.649 14.444 -7.164 1.00 1.22 H ATOM 493 HG2 LYS A 34 -17.712 13.226 -4.628 1.00 1.30 H ATOM 494 HG3 LYS A 34 -17.544 14.945 -4.955 1.00 1.34 H ATOM 495 HD2 LYS A 34 -19.088 14.677 -6.880 1.00 1.50 H ATOM 496 HD3 LYS A 34 -19.332 12.996 -6.402 1.00 1.51 H ATOM 497 HE2 LYS A 34 -20.196 13.744 -4.237 1.00 1.85 H ATOM 498 HE3 LYS A 34 -19.937 15.417 -4.714 1.00 1.93 H ATOM 499 HZ1 LYS A 34 -21.536 15.112 -6.506 1.00 2.58 H ATOM 500 HZ2 LYS A 34 -22.238 14.770 -5.007 1.00 2.55 H ATOM 501 HZ3 LYS A 34 -21.786 13.507 -6.034 1.00 2.50 H ATOM 502 N GLU A 35 -15.619 12.626 -9.185 1.00 1.00 N ATOM 503 CA GLU A 35 -14.496 12.593 -10.108 1.00 0.96 C ATOM 504 C GLU A 35 -13.833 13.957 -10.125 1.00 0.94 C ATOM 505 O GLU A 35 -14.446 14.947 -10.524 1.00 1.02 O ATOM 506 CB GLU A 35 -14.956 12.209 -11.514 1.00 1.05 C ATOM 507 CG GLU A 35 -13.829 12.150 -12.532 1.00 1.08 C ATOM 508 CD GLU A 35 -14.296 11.694 -13.897 1.00 1.55 C ATOM 509 OE1 GLU A 35 -14.350 10.467 -14.134 1.00 2.19 O ATOM 510 OE2 GLU A 35 -14.614 12.559 -14.743 1.00 2.06 O1+ ATOM 511 H GLU A 35 -16.450 13.064 -9.462 1.00 1.09 H ATOM 512 HA GLU A 35 -13.787 11.861 -9.748 1.00 0.91 H ATOM 513 HB2 GLU A 35 -15.427 11.239 -11.474 1.00 1.09 H ATOM 514 HB3 GLU A 35 -15.679 12.935 -11.851 1.00 1.11 H ATOM 515 HG2 GLU A 35 -13.399 13.135 -12.628 1.00 1.35 H ATOM 516 HG3 GLU A 35 -13.074 11.463 -12.178 1.00 1.05 H ATOM 517 N VAL A 36 -12.592 14.014 -9.679 1.00 0.87 N ATOM 518 CA VAL A 36 -11.903 15.283 -9.541 1.00 0.89 C ATOM 519 C VAL A 36 -10.583 15.291 -10.300 1.00 0.85 C ATOM 520 O VAL A 36 -9.950 14.248 -10.491 1.00 0.80 O ATOM 521 CB VAL A 36 -11.638 15.612 -8.057 1.00 0.91 C ATOM 522 CG1 VAL A 36 -12.942 15.852 -7.316 1.00 1.02 C ATOM 523 CG2 VAL A 36 -10.856 14.493 -7.387 1.00 0.85 C ATOM 524 H VAL A 36 -12.125 13.181 -9.438 1.00 0.83 H ATOM 525 HA VAL A 36 -12.543 16.051 -9.947 1.00 0.97 H ATOM 526 HB VAL A 36 -11.050 16.515 -8.008 1.00 0.95 H ATOM 527 HG11 VAL A 36 -12.733 16.054 -6.277 1.00 1.47 H ATOM 528 HG12 VAL A 36 -13.565 14.972 -7.396 1.00 1.40 H ATOM 529 HG13 VAL A 36 -13.454 16.698 -7.753 1.00 1.48 H ATOM 530 HG21 VAL A 36 -11.432 13.581 -7.425 1.00 1.34 H ATOM 531 HG22 VAL A 36 -10.665 14.756 -6.357 1.00 1.19 H ATOM 532 HG23 VAL A 36 -9.919 14.351 -7.903 1.00 1.41 H ATOM 533 N THR A 37 -10.187 16.481 -10.734 1.00 0.90 N ATOM 534 CA THR A 37 -8.926 16.676 -11.417 1.00 0.91 C ATOM 535 C THR A 37 -7.801 16.783 -10.397 1.00 0.90 C ATOM 536 O THR A 37 -7.809 17.670 -9.544 1.00 0.94 O ATOM 537 CB THR A 37 -8.961 17.949 -12.284 1.00 1.00 C ATOM 538 OG1 THR A 37 -10.075 17.893 -13.186 1.00 1.04 O ATOM 539 CG2 THR A 37 -7.674 18.118 -13.075 1.00 1.04 C ATOM 540 H THR A 37 -10.766 17.261 -10.582 1.00 0.96 H ATOM 541 HA THR A 37 -8.748 15.826 -12.058 1.00 0.88 H ATOM 542 HB THR A 37 -9.080 18.800 -11.632 1.00 1.04 H ATOM 543 HG1 THR A 37 -9.834 17.369 -13.959 1.00 1.32 H ATOM 544 HG21 THR A 37 -7.534 17.265 -13.724 1.00 1.43 H ATOM 545 HG22 THR A 37 -6.839 18.192 -12.394 1.00 1.50 H ATOM 546 HG23 THR A 37 -7.733 19.016 -13.671 1.00 1.44 H ATOM 547 N VAL A 38 -6.848 15.877 -10.484 1.00 0.88 N ATOM 548 CA VAL A 38 -5.776 15.804 -9.511 1.00 0.90 C ATOM 549 C VAL A 38 -4.639 16.740 -9.890 1.00 0.98 C ATOM 550 O VAL A 38 -4.259 16.829 -11.056 1.00 1.10 O ATOM 551 CB VAL A 38 -5.241 14.362 -9.378 1.00 0.90 C ATOM 552 CG1 VAL A 38 -4.153 14.278 -8.321 1.00 0.98 C ATOM 553 CG2 VAL A 38 -6.371 13.405 -9.050 1.00 0.88 C ATOM 554 H VAL A 38 -6.853 15.249 -11.237 1.00 0.87 H ATOM 555 HA VAL A 38 -6.174 16.106 -8.557 1.00 0.91 H ATOM 556 HB VAL A 38 -4.815 14.069 -10.326 1.00 0.91 H ATOM 557 HG11 VAL A 38 -4.559 14.572 -7.365 1.00 1.29 H ATOM 558 HG12 VAL A 38 -3.340 14.936 -8.588 1.00 1.55 H ATOM 559 HG13 VAL A 38 -3.792 13.262 -8.260 1.00 1.43 H ATOM 560 HG21 VAL A 38 -7.117 13.447 -9.827 1.00 1.34 H ATOM 561 HG22 VAL A 38 -6.816 13.685 -8.107 1.00 1.39 H ATOM 562 HG23 VAL A 38 -5.982 12.399 -8.977 1.00 1.32 H ATOM 563 N LEU A 39 -4.120 17.456 -8.907 1.00 1.12 N ATOM 564 CA LEU A 39 -2.972 18.313 -9.115 1.00 1.27 C ATOM 565 C LEU A 39 -1.763 17.705 -8.419 1.00 1.47 C ATOM 566 O LEU A 39 -1.688 17.687 -7.189 1.00 1.91 O ATOM 567 CB LEU A 39 -3.250 19.720 -8.573 1.00 1.24 C ATOM 568 CG LEU A 39 -4.514 20.386 -9.123 1.00 1.16 C ATOM 569 CD1 LEU A 39 -4.779 21.699 -8.409 1.00 1.22 C ATOM 570 CD2 LEU A 39 -4.390 20.612 -10.621 1.00 1.23 C ATOM 571 H LEU A 39 -4.524 17.409 -8.012 1.00 1.24 H ATOM 572 HA LEU A 39 -2.780 18.367 -10.177 1.00 1.32 H ATOM 573 HB2 LEU A 39 -3.342 19.658 -7.498 1.00 1.27 H ATOM 574 HB3 LEU A 39 -2.406 20.349 -8.812 1.00 1.35 H ATOM 575 HG LEU A 39 -5.358 19.737 -8.951 1.00 1.08 H ATOM 576 HD11 LEU A 39 -4.909 21.513 -7.352 1.00 1.59 H ATOM 577 HD12 LEU A 39 -5.676 22.151 -8.808 1.00 1.69 H ATOM 578 HD13 LEU A 39 -3.943 22.365 -8.557 1.00 1.50 H ATOM 579 HD21 LEU A 39 -3.531 21.234 -10.821 1.00 1.63 H ATOM 580 HD22 LEU A 39 -5.282 21.101 -10.983 1.00 1.57 H ATOM 581 HD23 LEU A 39 -4.273 19.663 -11.119 1.00 1.61 H ATOM 582 N ALA A 40 -0.837 17.178 -9.211 1.00 1.59 N ATOM 583 CA ALA A 40 0.372 16.566 -8.674 1.00 1.84 C ATOM 584 C ALA A 40 1.252 17.623 -8.034 1.00 1.91 C ATOM 585 O ALA A 40 2.051 17.340 -7.138 1.00 2.18 O ATOM 586 CB ALA A 40 1.126 15.834 -9.769 1.00 2.03 C ATOM 587 H ALA A 40 -0.970 17.201 -10.182 1.00 1.80 H ATOM 588 HA ALA A 40 0.081 15.848 -7.922 1.00 1.92 H ATOM 589 HB1 ALA A 40 1.983 15.333 -9.343 1.00 2.33 H ATOM 590 HB2 ALA A 40 1.456 16.544 -10.512 1.00 2.27 H ATOM 591 HB3 ALA A 40 0.476 15.107 -10.230 1.00 2.35 H ATOM 592 N GLU A 41 1.094 18.844 -8.511 1.00 1.74 N ATOM 593 CA GLU A 41 1.759 19.984 -7.928 1.00 1.84 C ATOM 594 C GLU A 41 0.730 20.804 -7.170 1.00 1.60 C ATOM 595 O GLU A 41 -0.191 21.358 -7.770 1.00 1.50 O ATOM 596 CB GLU A 41 2.415 20.831 -9.017 1.00 2.02 C ATOM 597 CG GLU A 41 3.309 20.029 -9.949 1.00 2.45 C ATOM 598 CD GLU A 41 4.027 20.895 -10.959 1.00 3.03 C ATOM 599 OE1 GLU A 41 3.470 21.127 -12.053 1.00 3.59 O ATOM 600 OE2 GLU A 41 5.154 21.350 -10.666 1.00 3.45 O1+ ATOM 601 H GLU A 41 0.499 18.982 -9.273 1.00 1.61 H ATOM 602 HA GLU A 41 2.511 19.626 -7.240 1.00 2.08 H ATOM 603 HB2 GLU A 41 1.641 21.296 -9.608 1.00 1.95 H ATOM 604 HB3 GLU A 41 3.012 21.598 -8.550 1.00 2.24 H ATOM 605 HG2 GLU A 41 4.044 19.505 -9.361 1.00 2.59 H ATOM 606 HG3 GLU A 41 2.700 19.312 -10.479 1.00 2.72 H ATOM 607 N VAL A 42 0.879 20.876 -5.860 1.00 1.67 N ATOM 608 CA VAL A 42 -0.087 21.568 -5.034 1.00 1.60 C ATOM 609 C VAL A 42 0.307 23.030 -4.868 1.00 1.49 C ATOM 610 O VAL A 42 1.425 23.348 -4.456 1.00 1.71 O ATOM 611 CB VAL A 42 -0.267 20.887 -3.647 1.00 2.04 C ATOM 612 CG1 VAL A 42 -0.657 19.426 -3.817 1.00 2.40 C ATOM 613 CG2 VAL A 42 0.984 20.998 -2.787 1.00 2.19 C ATOM 614 H VAL A 42 1.667 20.462 -5.442 1.00 1.86 H ATOM 615 HA VAL A 42 -1.038 21.529 -5.549 1.00 1.58 H ATOM 616 HB VAL A 42 -1.075 21.385 -3.130 1.00 2.20 H ATOM 617 HG11 VAL A 42 -0.783 18.974 -2.843 1.00 2.60 H ATOM 618 HG12 VAL A 42 0.121 18.907 -4.358 1.00 2.60 H ATOM 619 HG13 VAL A 42 -1.582 19.363 -4.368 1.00 2.85 H ATOM 620 HG21 VAL A 42 1.217 22.040 -2.625 1.00 2.45 H ATOM 621 HG22 VAL A 42 1.809 20.517 -3.289 1.00 2.55 H ATOM 622 HG23 VAL A 42 0.810 20.516 -1.836 1.00 2.40 H ATOM 623 N ASN A 43 -0.596 23.917 -5.244 1.00 1.52 N ATOM 624 CA ASN A 43 -0.358 25.340 -5.097 1.00 1.72 C ATOM 625 C ASN A 43 -0.934 25.825 -3.774 1.00 1.79 C ATOM 626 O ASN A 43 -2.147 25.892 -3.586 1.00 2.11 O ATOM 627 CB ASN A 43 -0.930 26.138 -6.289 1.00 2.20 C ATOM 628 CG ASN A 43 -2.444 26.036 -6.448 1.00 2.56 C ATOM 629 OD1 ASN A 43 -3.197 26.852 -5.910 1.00 3.25 O ATOM 630 ND2 ASN A 43 -2.900 25.053 -7.209 1.00 2.50 N ATOM 631 H ASN A 43 -1.444 23.608 -5.626 1.00 1.63 H ATOM 632 HA ASN A 43 0.715 25.482 -5.067 1.00 1.75 H ATOM 633 HB2 ASN A 43 -0.682 27.179 -6.161 1.00 2.51 H ATOM 634 HB3 ASN A 43 -0.470 25.778 -7.199 1.00 2.57 H ATOM 635 HD21 ASN A 43 -2.251 24.444 -7.624 1.00 2.28 H ATOM 636 HD22 ASN A 43 -3.870 24.982 -7.344 1.00 2.95 H ATOM 637 N ILE A 44 -0.054 26.114 -2.834 1.00 1.74 N ATOM 638 CA ILE A 44 -0.471 26.636 -1.550 1.00 1.97 C ATOM 639 C ILE A 44 -0.195 28.133 -1.502 1.00 2.17 C ATOM 640 O ILE A 44 0.790 28.578 -0.910 1.00 2.77 O ATOM 641 CB ILE A 44 0.241 25.919 -0.380 1.00 2.06 C ATOM 642 CG1 ILE A 44 0.029 24.404 -0.475 1.00 2.19 C ATOM 643 CG2 ILE A 44 -0.271 26.443 0.955 1.00 2.54 C ATOM 644 CD1 ILE A 44 0.759 23.612 0.592 1.00 2.51 C ATOM 645 H ILE A 44 0.907 25.970 -3.008 1.00 1.72 H ATOM 646 HA ILE A 44 -1.536 26.477 -1.456 1.00 2.23 H ATOM 647 HB ILE A 44 1.296 26.134 -0.442 1.00 1.99 H ATOM 648 HG12 ILE A 44 -1.026 24.189 -0.381 1.00 2.52 H ATOM 649 HG13 ILE A 44 0.376 24.060 -1.439 1.00 2.16 H ATOM 650 HG21 ILE A 44 -0.120 27.511 1.005 1.00 2.81 H ATOM 651 HG22 ILE A 44 0.266 25.965 1.760 1.00 2.98 H ATOM 652 HG23 ILE A 44 -1.325 26.223 1.046 1.00 2.77 H ATOM 653 HD11 ILE A 44 1.815 23.830 0.543 1.00 2.71 H ATOM 654 HD12 ILE A 44 0.601 22.556 0.430 1.00 2.77 H ATOM 655 HD13 ILE A 44 0.380 23.886 1.567 1.00 2.95 H ATOM 656 N ASN A 45 -1.059 28.887 -2.177 1.00 2.27 N ATOM 657 CA ASN A 45 -0.962 30.347 -2.257 1.00 2.63 C ATOM 658 C ASN A 45 0.297 30.779 -3.006 1.00 2.79 C ATOM 659 O ASN A 45 0.246 31.069 -4.199 1.00 3.40 O ATOM 660 CB ASN A 45 -1.005 30.999 -0.864 1.00 2.92 C ATOM 661 CG ASN A 45 -2.395 31.010 -0.240 1.00 3.28 C ATOM 662 OD1 ASN A 45 -2.733 31.918 0.518 1.00 3.84 O ATOM 663 ND2 ASN A 45 -3.209 30.005 -0.536 1.00 3.42 N ATOM 664 H ASN A 45 -1.791 28.441 -2.657 1.00 2.51 H ATOM 665 HA ASN A 45 -1.818 30.690 -2.822 1.00 2.88 H ATOM 666 HB2 ASN A 45 -0.344 30.457 -0.202 1.00 2.97 H ATOM 667 HB3 ASN A 45 -0.659 32.021 -0.943 1.00 3.29 H ATOM 668 HD21 ASN A 45 -2.885 29.302 -1.140 1.00 3.30 H ATOM 669 HD22 ASN A 45 -4.108 30.006 -0.140 1.00 3.91 H ATOM 670 N ASN A 46 1.427 30.804 -2.315 1.00 2.74 N ATOM 671 CA ASN A 46 2.682 31.232 -2.922 1.00 3.12 C ATOM 672 C ASN A 46 3.757 30.165 -2.754 1.00 2.90 C ATOM 673 O ASN A 46 4.945 30.475 -2.666 1.00 3.24 O ATOM 674 CB ASN A 46 3.164 32.554 -2.308 1.00 3.68 C ATOM 675 CG ASN A 46 2.262 33.737 -2.625 1.00 4.21 C ATOM 676 OD1 ASN A 46 2.152 34.675 -1.837 1.00 4.57 O ATOM 677 ND2 ASN A 46 1.616 33.715 -3.783 1.00 4.76 N ATOM 678 H ASN A 46 1.421 30.518 -1.372 1.00 2.80 H ATOM 679 HA ASN A 46 2.503 31.379 -3.975 1.00 3.37 H ATOM 680 HB2 ASN A 46 3.209 32.445 -1.235 1.00 3.81 H ATOM 681 HB3 ASN A 46 4.155 32.771 -2.678 1.00 4.00 H ATOM 682 HD21 ASN A 46 1.746 32.943 -4.374 1.00 4.82 H ATOM 683 HD22 ASN A 46 1.035 34.473 -4.002 1.00 5.31 H ATOM 684 N SER A 47 3.344 28.907 -2.692 1.00 2.52 N ATOM 685 CA SER A 47 4.285 27.804 -2.566 1.00 2.40 C ATOM 686 C SER A 47 3.759 26.569 -3.293 1.00 1.94 C ATOM 687 O SER A 47 2.721 26.016 -2.927 1.00 1.86 O ATOM 688 CB SER A 47 4.527 27.487 -1.087 1.00 2.80 C ATOM 689 OG SER A 47 4.943 28.644 -0.379 1.00 3.33 O ATOM 690 H SER A 47 2.383 28.712 -2.729 1.00 2.46 H ATOM 691 HA SER A 47 5.216 28.108 -3.021 1.00 2.57 H ATOM 692 HB2 SER A 47 3.614 27.119 -0.645 1.00 3.08 H ATOM 693 HB3 SER A 47 5.298 26.733 -1.003 1.00 2.91 H ATOM 694 HG SER A 47 5.245 29.313 -1.011 1.00 3.53 H ATOM 695 N VAL A 48 4.467 26.156 -4.333 1.00 1.89 N ATOM 696 CA VAL A 48 4.078 24.989 -5.108 1.00 1.71 C ATOM 697 C VAL A 48 4.931 23.781 -4.732 1.00 1.76 C ATOM 698 O VAL A 48 6.161 23.815 -4.839 1.00 2.07 O ATOM 699 CB VAL A 48 4.203 25.250 -6.625 1.00 2.05 C ATOM 700 CG1 VAL A 48 3.756 24.034 -7.423 1.00 2.37 C ATOM 701 CG2 VAL A 48 3.399 26.476 -7.029 1.00 2.33 C ATOM 702 H VAL A 48 5.276 26.651 -4.590 1.00 2.15 H ATOM 703 HA VAL A 48 3.043 24.769 -4.884 1.00 1.67 H ATOM 704 HB VAL A 48 5.242 25.436 -6.852 1.00 2.20 H ATOM 705 HG11 VAL A 48 3.857 24.239 -8.478 1.00 2.78 H ATOM 706 HG12 VAL A 48 2.723 23.814 -7.197 1.00 2.71 H ATOM 707 HG13 VAL A 48 4.370 23.185 -7.161 1.00 2.56 H ATOM 708 HG21 VAL A 48 3.764 27.338 -6.492 1.00 2.57 H ATOM 709 HG22 VAL A 48 2.358 26.317 -6.793 1.00 2.62 H ATOM 710 HG23 VAL A 48 3.506 26.642 -8.090 1.00 2.67 H ATOM 711 N PHE A 49 4.274 22.724 -4.283 1.00 1.72 N ATOM 712 CA PHE A 49 4.957 21.490 -3.912 1.00 1.95 C ATOM 713 C PHE A 49 4.445 20.335 -4.763 1.00 1.69 C ATOM 714 O PHE A 49 3.242 20.105 -4.841 1.00 1.90 O ATOM 715 CB PHE A 49 4.743 21.172 -2.425 1.00 2.53 C ATOM 716 CG PHE A 49 5.501 22.067 -1.484 1.00 2.78 C ATOM 717 CD1 PHE A 49 4.937 23.240 -1.006 1.00 2.80 C ATOM 718 CD2 PHE A 49 6.778 21.724 -1.071 1.00 3.40 C ATOM 719 CE1 PHE A 49 5.636 24.053 -0.133 1.00 3.32 C ATOM 720 CE2 PHE A 49 7.480 22.535 -0.200 1.00 4.13 C ATOM 721 CZ PHE A 49 6.908 23.701 0.268 1.00 4.06 C ATOM 722 H PHE A 49 3.293 22.769 -4.213 1.00 1.71 H ATOM 723 HA PHE A 49 6.012 21.623 -4.100 1.00 2.26 H ATOM 724 HB2 PHE A 49 3.692 21.268 -2.192 1.00 2.95 H ATOM 725 HB3 PHE A 49 5.053 20.153 -2.235 1.00 2.91 H ATOM 726 HD1 PHE A 49 3.941 23.516 -1.323 1.00 2.66 H ATOM 727 HD2 PHE A 49 7.227 20.814 -1.436 1.00 3.50 H ATOM 728 HE1 PHE A 49 5.187 24.965 0.235 1.00 3.36 H ATOM 729 HE2 PHE A 49 8.476 22.258 0.113 1.00 4.85 H ATOM 730 HZ PHE A 49 7.457 24.334 0.949 1.00 4.69 H ATOM 731 N ARG A 50 5.353 19.616 -5.404 1.00 1.63 N ATOM 732 CA ARG A 50 4.959 18.489 -6.240 1.00 1.49 C ATOM 733 C ARG A 50 5.247 17.170 -5.540 1.00 1.50 C ATOM 734 O ARG A 50 6.259 17.028 -4.847 1.00 1.83 O ATOM 735 CB ARG A 50 5.664 18.531 -7.603 1.00 1.73 C ATOM 736 CG ARG A 50 7.179 18.412 -7.540 1.00 2.22 C ATOM 737 CD ARG A 50 7.773 18.215 -8.926 1.00 2.76 C ATOM 738 NE ARG A 50 7.335 19.245 -9.868 1.00 3.35 N ATOM 739 CZ ARG A 50 7.859 19.417 -11.081 1.00 3.99 C ATOM 740 NH1 ARG A 50 8.858 18.647 -11.496 1.00 4.08 N1+ ATOM 741 NH2 ARG A 50 7.374 20.359 -11.878 1.00 4.84 N ATOM 742 H ARG A 50 6.301 19.837 -5.306 1.00 1.92 H ATOM 743 HA ARG A 50 3.893 18.561 -6.398 1.00 1.71 H ATOM 744 HB2 ARG A 50 5.297 17.719 -8.211 1.00 2.01 H ATOM 745 HB3 ARG A 50 5.424 19.466 -8.083 1.00 2.27 H ATOM 746 HG2 ARG A 50 7.585 19.314 -7.109 1.00 2.65 H ATOM 747 HG3 ARG A 50 7.438 17.564 -6.922 1.00 2.50 H ATOM 748 HD2 ARG A 50 8.849 18.245 -8.850 1.00 3.12 H ATOM 749 HD3 ARG A 50 7.465 17.248 -9.297 1.00 2.96 H ATOM 750 HE ARG A 50 6.600 19.835 -9.585 1.00 3.56 H ATOM 751 HH11 ARG A 50 9.224 17.928 -10.899 1.00 3.80 H ATOM 752 HH12 ARG A 50 9.254 18.782 -12.409 1.00 4.65 H ATOM 753 HH21 ARG A 50 6.608 20.939 -11.566 1.00 5.09 H ATOM 754 HH22 ARG A 50 7.766 20.498 -12.793 1.00 5.38 H ATOM 755 N GLN A 51 4.344 16.216 -5.706 1.00 1.65 N ATOM 756 CA GLN A 51 4.516 14.887 -5.135 1.00 2.04 C ATOM 757 C GLN A 51 4.195 13.831 -6.181 1.00 1.81 C ATOM 758 O GLN A 51 3.751 14.152 -7.283 1.00 2.52 O ATOM 759 CB GLN A 51 3.614 14.682 -3.909 1.00 2.80 C ATOM 760 CG GLN A 51 3.813 15.713 -2.809 1.00 3.27 C ATOM 761 CD GLN A 51 2.899 16.912 -2.956 1.00 3.84 C ATOM 762 OE1 GLN A 51 1.769 16.789 -3.434 1.00 4.12 O ATOM 763 NE2 GLN A 51 3.374 18.074 -2.540 1.00 4.56 N ATOM 764 H GLN A 51 3.537 16.407 -6.239 1.00 1.81 H ATOM 765 HA GLN A 51 5.550 14.785 -4.839 1.00 2.21 H ATOM 766 HB2 GLN A 51 2.582 14.724 -4.224 1.00 3.23 H ATOM 767 HB3 GLN A 51 3.813 13.704 -3.495 1.00 3.14 H ATOM 768 HG2 GLN A 51 3.616 15.244 -1.855 1.00 3.47 H ATOM 769 HG3 GLN A 51 4.837 16.055 -2.836 1.00 3.61 H ATOM 770 HE21 GLN A 51 4.283 18.094 -2.159 1.00 4.69 H ATOM 771 HE22 GLN A 51 2.807 18.868 -2.635 1.00 5.18 H ATOM 772 N TYR A 52 4.422 12.574 -5.831 1.00 1.37 N ATOM 773 CA TYR A 52 4.138 11.471 -6.732 1.00 1.19 C ATOM 774 C TYR A 52 3.138 10.534 -6.073 1.00 1.14 C ATOM 775 O TYR A 52 3.250 10.236 -4.885 1.00 1.40 O ATOM 776 CB TYR A 52 5.423 10.712 -7.081 1.00 1.34 C ATOM 777 CG TYR A 52 6.601 11.612 -7.391 1.00 1.37 C ATOM 778 CD1 TYR A 52 6.597 12.449 -8.502 1.00 1.62 C ATOM 779 CD2 TYR A 52 7.717 11.625 -6.565 1.00 1.98 C ATOM 780 CE1 TYR A 52 7.673 13.271 -8.778 1.00 1.89 C ATOM 781 CE2 TYR A 52 8.796 12.444 -6.835 1.00 2.26 C ATOM 782 CZ TYR A 52 8.769 13.265 -7.941 1.00 2.00 C ATOM 783 OH TYR A 52 9.844 14.081 -8.215 1.00 2.46 O ATOM 784 H TYR A 52 4.782 12.380 -4.942 1.00 1.70 H ATOM 785 HA TYR A 52 3.701 11.878 -7.636 1.00 1.17 H ATOM 786 HB2 TYR A 52 5.701 10.085 -6.248 1.00 1.57 H ATOM 787 HB3 TYR A 52 5.243 10.090 -7.948 1.00 1.52 H ATOM 788 HD1 TYR A 52 5.739 12.453 -9.155 1.00 2.08 H ATOM 789 HD2 TYR A 52 7.737 10.980 -5.698 1.00 2.55 H ATOM 790 HE1 TYR A 52 7.650 13.915 -9.643 1.00 2.43 H ATOM 791 HE2 TYR A 52 9.654 12.439 -6.179 1.00 2.96 H ATOM 792 HH TYR A 52 10.659 13.570 -8.130 1.00 2.76 H ATOM 793 N PHE A 53 2.151 10.092 -6.833 1.00 0.94 N ATOM 794 CA PHE A 53 1.103 9.236 -6.296 1.00 0.91 C ATOM 795 C PHE A 53 1.433 7.772 -6.536 1.00 0.91 C ATOM 796 O PHE A 53 1.604 7.345 -7.674 1.00 0.94 O ATOM 797 CB PHE A 53 -0.246 9.593 -6.928 1.00 0.87 C ATOM 798 CG PHE A 53 -0.601 11.042 -6.762 1.00 0.93 C ATOM 799 CD1 PHE A 53 -1.089 11.513 -5.557 1.00 1.01 C ATOM 800 CD2 PHE A 53 -0.429 11.933 -7.807 1.00 1.00 C ATOM 801 CE1 PHE A 53 -1.401 12.848 -5.395 1.00 1.12 C ATOM 802 CE2 PHE A 53 -0.741 13.268 -7.654 1.00 1.12 C ATOM 803 CZ PHE A 53 -1.226 13.727 -6.446 1.00 1.16 C ATOM 804 H PHE A 53 2.124 10.346 -7.784 1.00 0.92 H ATOM 805 HA PHE A 53 1.051 9.411 -5.231 1.00 0.97 H ATOM 806 HB2 PHE A 53 -0.212 9.377 -7.987 1.00 0.85 H ATOM 807 HB3 PHE A 53 -1.026 9.002 -6.469 1.00 0.89 H ATOM 808 HD1 PHE A 53 -1.227 10.824 -4.736 1.00 1.05 H ATOM 809 HD2 PHE A 53 -0.049 11.575 -8.754 1.00 1.03 H ATOM 810 HE1 PHE A 53 -1.781 13.203 -4.449 1.00 1.23 H ATOM 811 HE2 PHE A 53 -0.604 13.953 -8.478 1.00 1.22 H ATOM 812 HZ PHE A 53 -1.467 14.772 -6.323 1.00 1.28 H ATOM 813 N PHE A 54 1.515 7.009 -5.461 1.00 0.96 N ATOM 814 CA PHE A 54 1.882 5.606 -5.547 1.00 1.00 C ATOM 815 C PHE A 54 0.667 4.744 -5.872 1.00 0.95 C ATOM 816 O PHE A 54 -0.218 4.545 -5.044 1.00 1.03 O ATOM 817 CB PHE A 54 2.549 5.146 -4.239 1.00 1.12 C ATOM 818 CG PHE A 54 1.813 5.548 -2.987 1.00 1.57 C ATOM 819 CD1 PHE A 54 0.947 4.667 -2.354 1.00 2.13 C ATOM 820 CD2 PHE A 54 1.992 6.810 -2.438 1.00 2.47 C ATOM 821 CE1 PHE A 54 0.278 5.036 -1.204 1.00 3.04 C ATOM 822 CE2 PHE A 54 1.325 7.184 -1.289 1.00 3.41 C ATOM 823 CZ PHE A 54 0.467 6.296 -0.672 1.00 3.56 C ATOM 824 H PHE A 54 1.322 7.395 -4.585 1.00 1.01 H ATOM 825 HA PHE A 54 2.596 5.508 -6.353 1.00 1.02 H ATOM 826 HB2 PHE A 54 2.624 4.069 -4.242 1.00 1.61 H ATOM 827 HB3 PHE A 54 3.544 5.566 -4.187 1.00 1.49 H ATOM 828 HD1 PHE A 54 0.798 3.681 -2.770 1.00 2.37 H ATOM 829 HD2 PHE A 54 2.664 7.506 -2.920 1.00 2.81 H ATOM 830 HE1 PHE A 54 -0.393 4.340 -0.723 1.00 3.66 H ATOM 831 HE2 PHE A 54 1.473 8.170 -0.874 1.00 4.27 H ATOM 832 HZ PHE A 54 -0.055 6.587 0.227 1.00 4.41 H ATOM 833 N GLU A 55 0.621 4.257 -7.100 1.00 0.88 N ATOM 834 CA GLU A 55 -0.449 3.379 -7.530 1.00 0.88 C ATOM 835 C GLU A 55 0.115 2.006 -7.855 1.00 0.92 C ATOM 836 O GLU A 55 0.883 1.847 -8.806 1.00 1.11 O ATOM 837 CB GLU A 55 -1.176 3.948 -8.756 1.00 0.89 C ATOM 838 CG GLU A 55 -1.678 5.377 -8.574 1.00 0.91 C ATOM 839 CD GLU A 55 -2.753 5.738 -9.577 1.00 0.90 C ATOM 840 OE1 GLU A 55 -2.446 6.396 -10.591 1.00 1.42 O ATOM 841 OE2 GLU A 55 -3.922 5.365 -9.357 1.00 1.49 O1+ ATOM 842 H GLU A 55 1.335 4.491 -7.735 1.00 0.89 H ATOM 843 HA GLU A 55 -1.151 3.281 -6.712 1.00 0.90 H ATOM 844 HB2 GLU A 55 -0.498 3.933 -9.599 1.00 1.03 H ATOM 845 HB3 GLU A 55 -2.023 3.316 -8.979 1.00 0.99 H ATOM 846 HG2 GLU A 55 -2.084 5.485 -7.580 1.00 1.08 H ATOM 847 HG3 GLU A 55 -0.846 6.059 -8.701 1.00 1.12 H ATOM 848 N THR A 56 -0.243 1.026 -7.046 1.00 0.87 N ATOM 849 CA THR A 56 0.200 -0.334 -7.268 1.00 0.93 C ATOM 850 C THR A 56 -0.948 -1.176 -7.813 1.00 0.96 C ATOM 851 O THR A 56 -1.858 -1.566 -7.080 1.00 1.03 O ATOM 852 CB THR A 56 0.749 -0.969 -5.977 1.00 0.98 C ATOM 853 OG1 THR A 56 1.724 -0.098 -5.382 1.00 1.04 O ATOM 854 CG2 THR A 56 1.383 -2.326 -6.263 1.00 1.07 C ATOM 855 H THR A 56 -0.833 1.223 -6.283 1.00 0.89 H ATOM 856 HA THR A 56 0.992 -0.310 -8.001 1.00 0.97 H ATOM 857 HB THR A 56 -0.070 -1.109 -5.284 1.00 0.98 H ATOM 858 HG1 THR A 56 1.364 0.265 -4.565 1.00 1.21 H ATOM 859 HG21 THR A 56 0.644 -2.985 -6.695 1.00 1.53 H ATOM 860 HG22 THR A 56 1.751 -2.752 -5.341 1.00 1.56 H ATOM 861 HG23 THR A 56 2.203 -2.201 -6.954 1.00 1.36 H ATOM 862 N LYS A 57 -0.890 -1.456 -9.103 1.00 1.04 N ATOM 863 CA LYS A 57 -1.948 -2.182 -9.778 1.00 1.16 C ATOM 864 C LYS A 57 -1.520 -3.623 -9.991 1.00 1.24 C ATOM 865 O LYS A 57 -0.360 -3.967 -9.777 1.00 1.29 O ATOM 866 CB LYS A 57 -2.265 -1.525 -11.126 1.00 1.29 C ATOM 867 CG LYS A 57 -2.610 -0.046 -11.023 1.00 1.53 C ATOM 868 CD LYS A 57 -2.982 0.532 -12.377 1.00 1.65 C ATOM 869 CE LYS A 57 -4.345 0.046 -12.836 1.00 1.90 C ATOM 870 NZ LYS A 57 -5.449 0.608 -12.011 1.00 2.48 N1+ ATOM 871 H LYS A 57 -0.092 -1.183 -9.614 1.00 1.09 H ATOM 872 HA LYS A 57 -2.828 -2.159 -9.151 1.00 1.17 H ATOM 873 HB2 LYS A 57 -1.403 -1.627 -11.771 1.00 1.47 H ATOM 874 HB3 LYS A 57 -3.101 -2.038 -11.576 1.00 1.54 H ATOM 875 HG2 LYS A 57 -3.447 0.071 -10.357 1.00 1.83 H ATOM 876 HG3 LYS A 57 -1.758 0.490 -10.633 1.00 1.77 H ATOM 877 HD2 LYS A 57 -3.001 1.607 -12.307 1.00 1.84 H ATOM 878 HD3 LYS A 57 -2.241 0.230 -13.100 1.00 1.93 H ATOM 879 HE2 LYS A 57 -4.489 0.344 -13.860 1.00 2.26 H ATOM 880 HE3 LYS A 57 -4.368 -1.029 -12.768 1.00 2.25 H ATOM 881 HZ1 LYS A 57 -5.243 0.486 -10.993 1.00 2.92 H ATOM 882 HZ2 LYS A 57 -6.342 0.121 -12.224 1.00 2.73 H ATOM 883 HZ3 LYS A 57 -5.566 1.623 -12.207 1.00 2.93 H ATOM 884 N CYS A 58 -2.444 -4.466 -10.405 1.00 1.32 N ATOM 885 CA CYS A 58 -2.129 -5.865 -10.612 1.00 1.44 C ATOM 886 C CYS A 58 -2.109 -6.186 -12.098 1.00 1.56 C ATOM 887 O CYS A 58 -3.139 -6.143 -12.769 1.00 1.73 O ATOM 888 CB CYS A 58 -3.135 -6.754 -9.884 1.00 1.57 C ATOM 889 SG CYS A 58 -2.434 -8.333 -9.314 1.00 1.71 S ATOM 890 H CYS A 58 -3.357 -4.146 -10.577 1.00 1.36 H ATOM 891 HA CYS A 58 -1.147 -6.043 -10.205 1.00 1.41 H ATOM 892 HB2 CYS A 58 -3.511 -6.231 -9.021 1.00 1.75 H ATOM 893 HB3 CYS A 58 -3.956 -6.979 -10.548 1.00 1.77 H ATOM 894 N ARG A 59 -0.920 -6.492 -12.605 1.00 1.59 N ATOM 895 CA ARG A 59 -0.740 -6.815 -14.014 1.00 1.77 C ATOM 896 C ARG A 59 -1.406 -8.144 -14.343 1.00 1.90 C ATOM 897 O ARG A 59 -2.004 -8.306 -15.409 1.00 2.31 O ATOM 898 CB ARG A 59 0.750 -6.880 -14.361 1.00 1.88 C ATOM 899 CG ARG A 59 1.445 -5.528 -14.390 1.00 1.83 C ATOM 900 CD ARG A 59 2.935 -5.674 -14.664 1.00 1.95 C ATOM 901 NE ARG A 59 3.605 -4.384 -14.814 1.00 2.38 N ATOM 902 CZ ARG A 59 4.876 -4.160 -14.472 1.00 2.74 C ATOM 903 NH1 ARG A 59 5.599 -5.120 -13.908 1.00 2.68 N1+ ATOM 904 NH2 ARG A 59 5.419 -2.967 -14.685 1.00 3.48 N ATOM 905 H ARG A 59 -0.143 -6.520 -12.008 1.00 1.56 H ATOM 906 HA ARG A 59 -1.207 -6.035 -14.596 1.00 1.86 H ATOM 907 HB2 ARG A 59 1.248 -7.495 -13.627 1.00 2.22 H ATOM 908 HB3 ARG A 59 0.859 -7.337 -15.333 1.00 2.21 H ATOM 909 HG2 ARG A 59 1.005 -4.922 -15.168 1.00 2.07 H ATOM 910 HG3 ARG A 59 1.311 -5.044 -13.437 1.00 2.08 H ATOM 911 HD2 ARG A 59 3.384 -6.207 -13.841 1.00 2.05 H ATOM 912 HD3 ARG A 59 3.068 -6.241 -15.573 1.00 2.23 H ATOM 913 HE ARG A 59 3.081 -3.648 -15.210 1.00 2.71 H ATOM 914 HH11 ARG A 59 5.195 -6.023 -13.736 1.00 2.48 H ATOM 915 HH12 ARG A 59 6.554 -4.949 -13.651 1.00 3.09 H ATOM 916 HH21 ARG A 59 4.880 -2.233 -15.104 1.00 3.82 H ATOM 917 HH22 ARG A 59 6.374 -2.792 -14.422 1.00 3.84 H ATOM 918 N ALA A 60 -1.303 -9.087 -13.420 1.00 2.07 N ATOM 919 CA ALA A 60 -1.899 -10.398 -13.603 1.00 2.24 C ATOM 920 C ALA A 60 -2.887 -10.695 -12.486 1.00 2.12 C ATOM 921 O ALA A 60 -2.495 -10.973 -11.353 1.00 2.38 O ATOM 922 CB ALA A 60 -0.824 -11.473 -13.665 1.00 2.58 C ATOM 923 H ALA A 60 -0.817 -8.892 -12.587 1.00 2.39 H ATOM 924 HA ALA A 60 -2.428 -10.393 -14.544 1.00 2.37 H ATOM 925 HB1 ALA A 60 -0.110 -11.227 -14.438 1.00 2.87 H ATOM 926 HB2 ALA A 60 -1.281 -12.426 -13.887 1.00 2.75 H ATOM 927 HB3 ALA A 60 -0.316 -11.532 -12.714 1.00 2.96 H ATOM 928 N SER A 61 -4.169 -10.622 -12.811 1.00 2.10 N ATOM 929 CA SER A 61 -5.223 -10.919 -11.857 1.00 2.07 C ATOM 930 C SER A 61 -5.276 -12.419 -11.579 1.00 2.12 C ATOM 931 O SER A 61 -5.676 -12.851 -10.498 1.00 2.76 O ATOM 932 CB SER A 61 -6.561 -10.423 -12.399 1.00 2.14 C ATOM 933 OG SER A 61 -6.703 -10.760 -13.769 1.00 2.62 O ATOM 934 H SER A 61 -4.417 -10.365 -13.725 1.00 2.34 H ATOM 935 HA SER A 61 -4.999 -10.398 -10.941 1.00 2.10 H ATOM 936 HB2 SER A 61 -7.366 -10.880 -11.843 1.00 2.35 H ATOM 937 HB3 SER A 61 -6.616 -9.349 -12.295 1.00 2.34 H ATOM 938 HG SER A 61 -7.592 -11.101 -13.926 1.00 3.02 H ATOM 939 N ASN A 62 -4.863 -13.198 -12.572 1.00 1.95 N ATOM 940 CA ASN A 62 -4.780 -14.651 -12.446 1.00 1.94 C ATOM 941 C ASN A 62 -3.502 -15.155 -13.114 1.00 1.99 C ATOM 942 O ASN A 62 -3.552 -15.704 -14.215 1.00 2.15 O ATOM 943 CB ASN A 62 -5.997 -15.338 -13.093 1.00 2.11 C ATOM 944 CG ASN A 62 -7.302 -15.138 -12.333 1.00 2.28 C ATOM 945 OD1 ASN A 62 -8.363 -14.996 -12.938 1.00 2.59 O ATOM 946 ND2 ASN A 62 -7.243 -15.147 -11.008 1.00 2.36 N ATOM 947 H ASN A 62 -4.596 -12.780 -13.420 1.00 2.23 H ATOM 948 HA ASN A 62 -4.750 -14.897 -11.394 1.00 1.94 H ATOM 949 HB2 ASN A 62 -6.129 -14.947 -14.091 1.00 2.23 H ATOM 950 HB3 ASN A 62 -5.803 -16.400 -13.158 1.00 2.19 H ATOM 951 HD21 ASN A 62 -6.371 -15.276 -10.582 1.00 2.37 H ATOM 952 HD22 ASN A 62 -8.080 -15.037 -10.509 1.00 2.57 H ATOM 953 N PRO A 63 -2.330 -14.945 -12.479 1.00 2.07 N ATOM 954 CA PRO A 63 -1.043 -15.395 -13.028 1.00 2.32 C ATOM 955 C PRO A 63 -1.024 -16.896 -13.319 1.00 2.27 C ATOM 956 O PRO A 63 -0.421 -17.345 -14.295 1.00 2.57 O ATOM 957 CB PRO A 63 -0.020 -15.049 -11.932 1.00 2.52 C ATOM 958 CG PRO A 63 -0.826 -14.750 -10.711 1.00 2.43 C ATOM 959 CD PRO A 63 -2.157 -14.240 -11.198 1.00 2.18 C ATOM 960 HA PRO A 63 -0.797 -14.859 -13.934 1.00 2.57 H ATOM 961 HB2 PRO A 63 0.634 -15.895 -11.772 1.00 2.60 H ATOM 962 HB3 PRO A 63 0.564 -14.191 -12.240 1.00 2.81 H ATOM 963 HG2 PRO A 63 -0.956 -15.652 -10.129 1.00 2.45 H ATOM 964 HG3 PRO A 63 -0.327 -13.996 -10.121 1.00 2.71 H ATOM 965 HD2 PRO A 63 -2.945 -14.502 -10.500 1.00 2.17 H ATOM 966 HD3 PRO A 63 -2.124 -13.167 -11.351 1.00 2.30 H ATOM 967 N VAL A 64 -1.688 -17.664 -12.468 1.00 2.06 N ATOM 968 CA VAL A 64 -1.811 -19.100 -12.666 1.00 2.15 C ATOM 969 C VAL A 64 -3.283 -19.471 -12.807 1.00 2.32 C ATOM 970 O VAL A 64 -4.160 -18.697 -12.414 1.00 2.53 O ATOM 971 CB VAL A 64 -1.183 -19.897 -11.497 1.00 2.02 C ATOM 972 CG1 VAL A 64 0.311 -19.628 -11.404 1.00 2.08 C ATOM 973 CG2 VAL A 64 -1.864 -19.566 -10.180 1.00 1.93 C ATOM 974 H VAL A 64 -2.117 -17.252 -11.688 1.00 1.95 H ATOM 975 HA VAL A 64 -1.292 -19.357 -13.578 1.00 2.40 H ATOM 976 HB VAL A 64 -1.322 -20.948 -11.691 1.00 2.13 H ATOM 977 HG11 VAL A 64 0.476 -18.573 -11.242 1.00 2.36 H ATOM 978 HG12 VAL A 64 0.790 -19.931 -12.323 1.00 2.32 H ATOM 979 HG13 VAL A 64 0.724 -20.188 -10.579 1.00 2.33 H ATOM 980 HG21 VAL A 64 -1.747 -18.513 -9.969 1.00 2.25 H ATOM 981 HG22 VAL A 64 -1.412 -20.143 -9.387 1.00 2.12 H ATOM 982 HG23 VAL A 64 -2.912 -19.806 -10.246 1.00 2.16 H ATOM 983 N GLU A 65 -3.554 -20.656 -13.352 1.00 2.45 N ATOM 984 CA GLU A 65 -4.927 -21.110 -13.587 1.00 2.81 C ATOM 985 C GLU A 65 -5.584 -21.572 -12.289 1.00 3.04 C ATOM 986 O GLU A 65 -6.133 -22.674 -12.205 1.00 3.58 O ATOM 987 CB GLU A 65 -4.948 -22.246 -14.611 1.00 3.02 C ATOM 988 CG GLU A 65 -4.413 -21.850 -15.974 1.00 3.42 C ATOM 989 CD GLU A 65 -4.440 -22.995 -16.962 1.00 3.79 C ATOM 990 OE1 GLU A 65 -3.407 -23.676 -17.115 1.00 4.18 O ATOM 991 OE2 GLU A 65 -5.492 -23.221 -17.592 1.00 4.19 O1+ ATOM 992 H GLU A 65 -2.810 -21.248 -13.598 1.00 2.41 H ATOM 993 HA GLU A 65 -5.488 -20.274 -13.980 1.00 2.98 H ATOM 994 HB2 GLU A 65 -4.348 -23.063 -14.238 1.00 3.22 H ATOM 995 HB3 GLU A 65 -5.966 -22.586 -14.733 1.00 3.18 H ATOM 996 HG2 GLU A 65 -5.017 -21.045 -16.363 1.00 3.77 H ATOM 997 HG3 GLU A 65 -3.393 -21.513 -15.862 1.00 3.72 H ATOM 998 N SER A 66 -5.514 -20.714 -11.287 1.00 2.89 N ATOM 999 CA SER A 66 -6.070 -20.980 -9.966 1.00 3.23 C ATOM 1000 C SER A 66 -6.239 -19.661 -9.219 1.00 2.99 C ATOM 1001 O SER A 66 -7.095 -19.530 -8.347 1.00 3.29 O ATOM 1002 CB SER A 66 -5.148 -21.909 -9.163 1.00 3.50 C ATOM 1003 OG SER A 66 -4.881 -23.108 -9.873 1.00 3.90 O ATOM 1004 H SER A 66 -5.083 -19.849 -11.450 1.00 2.74 H ATOM 1005 HA SER A 66 -7.036 -21.447 -10.091 1.00 3.63 H ATOM 1006 HB2 SER A 66 -4.213 -21.407 -8.969 1.00 3.58 H ATOM 1007 HB3 SER A 66 -5.623 -22.162 -8.226 1.00 3.83 H ATOM 1008 HG SER A 66 -5.396 -23.113 -10.691 1.00 4.07 H ATOM 1009 N GLY A 67 -5.413 -18.687 -9.589 1.00 2.60 N ATOM 1010 CA GLY A 67 -5.418 -17.401 -8.930 1.00 2.41 C ATOM 1011 C GLY A 67 -4.008 -16.901 -8.714 1.00 2.01 C ATOM 1012 O GLY A 67 -3.290 -16.654 -9.681 1.00 2.17 O ATOM 1013 H GLY A 67 -4.781 -18.845 -10.317 1.00 2.55 H ATOM 1014 HA2 GLY A 67 -5.957 -16.691 -9.544 1.00 2.70 H ATOM 1015 HA3 GLY A 67 -5.912 -17.492 -7.976 1.00 2.43 H ATOM 1016 N CYS A 68 -3.598 -16.772 -7.463 1.00 1.67 N ATOM 1017 CA CYS A 68 -2.231 -16.380 -7.159 1.00 1.41 C ATOM 1018 C CYS A 68 -1.365 -17.631 -7.026 1.00 1.33 C ATOM 1019 O CYS A 68 -1.853 -18.697 -6.640 1.00 1.73 O ATOM 1020 CB CYS A 68 -2.172 -15.523 -5.884 1.00 1.27 C ATOM 1021 SG CYS A 68 -2.354 -16.447 -4.325 1.00 1.41 S ATOM 1022 H CYS A 68 -4.225 -16.948 -6.724 1.00 1.76 H ATOM 1023 HA CYS A 68 -1.867 -15.795 -7.994 1.00 1.62 H ATOM 1024 HB2 CYS A 68 -1.217 -15.015 -5.848 1.00 1.49 H ATOM 1025 HB3 CYS A 68 -2.965 -14.788 -5.921 1.00 1.40 H ATOM 1026 N ARG A 69 -0.090 -17.506 -7.373 1.00 1.26 N ATOM 1027 CA ARG A 69 0.814 -18.652 -7.421 1.00 1.31 C ATOM 1028 C ARG A 69 1.067 -19.229 -6.029 1.00 1.27 C ATOM 1029 O ARG A 69 1.604 -18.545 -5.157 1.00 1.43 O ATOM 1030 CB ARG A 69 2.146 -18.243 -8.056 1.00 1.48 C ATOM 1031 CG ARG A 69 3.136 -19.388 -8.208 1.00 1.91 C ATOM 1032 CD ARG A 69 4.526 -18.872 -8.533 1.00 2.10 C ATOM 1033 NE ARG A 69 5.056 -18.039 -7.450 1.00 2.57 N ATOM 1034 CZ ARG A 69 5.722 -16.900 -7.641 1.00 3.04 C ATOM 1035 NH1 ARG A 69 5.962 -16.461 -8.867 1.00 3.00 N1+ ATOM 1036 NH2 ARG A 69 6.152 -16.201 -6.598 1.00 3.94 N ATOM 1037 H ARG A 69 0.257 -16.615 -7.594 1.00 1.51 H ATOM 1038 HA ARG A 69 0.352 -19.411 -8.034 1.00 1.42 H ATOM 1039 HB2 ARG A 69 1.954 -17.836 -9.038 1.00 1.71 H ATOM 1040 HB3 ARG A 69 2.606 -17.479 -7.441 1.00 1.71 H ATOM 1041 HG2 ARG A 69 3.173 -19.946 -7.284 1.00 2.26 H ATOM 1042 HG3 ARG A 69 2.803 -20.031 -9.008 1.00 2.24 H ATOM 1043 HD2 ARG A 69 5.188 -19.715 -8.686 1.00 2.42 H ATOM 1044 HD3 ARG A 69 4.474 -18.282 -9.436 1.00 2.34 H ATOM 1045 HE ARG A 69 4.899 -18.348 -6.531 1.00 2.93 H ATOM 1046 HH11 ARG A 69 5.643 -16.983 -9.662 1.00 2.79 H ATOM 1047 HH12 ARG A 69 6.464 -15.602 -9.009 1.00 3.48 H ATOM 1048 HH21 ARG A 69 5.978 -16.522 -5.668 1.00 4.34 H ATOM 1049 HH22 ARG A 69 6.657 -15.341 -6.740 1.00 4.40 H ATOM 1050 N GLY A 70 0.685 -20.486 -5.832 1.00 1.32 N ATOM 1051 CA GLY A 70 0.952 -21.151 -4.570 1.00 1.42 C ATOM 1052 C GLY A 70 -0.282 -21.803 -3.983 1.00 1.41 C ATOM 1053 O GLY A 70 -0.183 -22.795 -3.262 1.00 1.61 O ATOM 1054 H GLY A 70 0.215 -20.969 -6.549 1.00 1.44 H ATOM 1055 HA2 GLY A 70 1.707 -21.908 -4.725 1.00 1.61 H ATOM 1056 HA3 GLY A 70 1.328 -20.423 -3.867 1.00 1.44 H ATOM 1057 N ILE A 71 -1.442 -21.245 -4.301 1.00 1.32 N ATOM 1058 CA ILE A 71 -2.710 -21.717 -3.759 1.00 1.42 C ATOM 1059 C ILE A 71 -3.096 -23.081 -4.334 1.00 1.57 C ATOM 1060 O ILE A 71 -2.842 -23.368 -5.506 1.00 1.64 O ATOM 1061 CB ILE A 71 -3.831 -20.697 -4.057 1.00 1.43 C ATOM 1062 CG1 ILE A 71 -3.479 -19.332 -3.463 1.00 1.34 C ATOM 1063 CG2 ILE A 71 -5.170 -21.180 -3.523 1.00 1.65 C ATOM 1064 CD1 ILE A 71 -3.207 -19.353 -1.972 1.00 1.25 C ATOM 1065 H ILE A 71 -1.446 -20.486 -4.920 1.00 1.31 H ATOM 1066 HA ILE A 71 -2.607 -21.804 -2.688 1.00 1.48 H ATOM 1067 HB ILE A 71 -3.917 -20.600 -5.129 1.00 1.46 H ATOM 1068 HG12 ILE A 71 -2.594 -18.955 -3.952 1.00 1.47 H ATOM 1069 HG13 ILE A 71 -4.298 -18.651 -3.642 1.00 1.46 H ATOM 1070 HG21 ILE A 71 -5.431 -22.114 -3.998 1.00 1.96 H ATOM 1071 HG22 ILE A 71 -5.930 -20.442 -3.739 1.00 1.95 H ATOM 1072 HG23 ILE A 71 -5.102 -21.324 -2.454 1.00 2.04 H ATOM 1073 HD11 ILE A 71 -2.334 -19.957 -1.772 1.00 1.55 H ATOM 1074 HD12 ILE A 71 -4.059 -19.770 -1.454 1.00 1.71 H ATOM 1075 HD13 ILE A 71 -3.033 -18.344 -1.622 1.00 1.59 H ATOM 1076 N ASP A 72 -3.691 -23.923 -3.493 1.00 1.81 N ATOM 1077 CA ASP A 72 -4.180 -25.227 -3.926 1.00 2.05 C ATOM 1078 C ASP A 72 -5.456 -25.070 -4.739 1.00 2.29 C ATOM 1079 O ASP A 72 -6.451 -24.533 -4.254 1.00 3.01 O ATOM 1080 CB ASP A 72 -4.437 -26.143 -2.727 1.00 2.74 C ATOM 1081 CG ASP A 72 -4.924 -27.514 -3.153 1.00 2.82 C ATOM 1082 OD1 ASP A 72 -4.077 -28.400 -3.408 1.00 3.14 O ATOM 1083 OD2 ASP A 72 -6.150 -27.714 -3.241 1.00 3.32 O1+ ATOM 1084 H ASP A 72 -3.805 -23.659 -2.558 1.00 1.93 H ATOM 1085 HA ASP A 72 -3.420 -25.671 -4.552 1.00 2.10 H ATOM 1086 HB2 ASP A 72 -3.521 -26.263 -2.169 1.00 3.12 H ATOM 1087 HB3 ASP A 72 -5.187 -25.695 -2.092 1.00 3.22 H ATOM 1088 N SER A 73 -5.421 -25.567 -5.964 1.00 2.28 N ATOM 1089 CA SER A 73 -6.504 -25.386 -6.920 1.00 2.98 C ATOM 1090 C SER A 73 -7.757 -26.179 -6.544 1.00 2.65 C ATOM 1091 O SER A 73 -8.857 -25.874 -7.008 1.00 3.09 O ATOM 1092 CB SER A 73 -6.018 -25.825 -8.301 1.00 3.92 C ATOM 1093 OG SER A 73 -4.696 -25.364 -8.537 1.00 4.63 O ATOM 1094 H SER A 73 -4.629 -26.069 -6.247 1.00 2.23 H ATOM 1095 HA SER A 73 -6.747 -24.336 -6.952 1.00 3.49 H ATOM 1096 HB2 SER A 73 -6.026 -26.905 -8.356 1.00 4.29 H ATOM 1097 HB3 SER A 73 -6.671 -25.419 -9.059 1.00 4.18 H ATOM 1098 HG SER A 73 -4.736 -24.507 -8.989 1.00 4.99 H ATOM 1099 N LYS A 74 -7.598 -27.190 -5.703 1.00 2.19 N ATOM 1100 CA LYS A 74 -8.701 -28.080 -5.378 1.00 2.08 C ATOM 1101 C LYS A 74 -9.496 -27.567 -4.182 1.00 2.00 C ATOM 1102 O LYS A 74 -10.727 -27.589 -4.191 1.00 2.17 O ATOM 1103 CB LYS A 74 -8.176 -29.487 -5.095 1.00 2.15 C ATOM 1104 CG LYS A 74 -9.267 -30.504 -4.803 1.00 2.33 C ATOM 1105 CD LYS A 74 -8.692 -31.889 -4.576 1.00 2.50 C ATOM 1106 CE LYS A 74 -7.735 -31.912 -3.397 1.00 2.69 C ATOM 1107 NZ LYS A 74 -7.226 -33.280 -3.118 1.00 3.06 N1+ ATOM 1108 H LYS A 74 -6.723 -27.336 -5.284 1.00 2.26 H ATOM 1109 HA LYS A 74 -9.355 -28.118 -6.236 1.00 2.23 H ATOM 1110 HB2 LYS A 74 -7.614 -29.830 -5.949 1.00 2.48 H ATOM 1111 HB3 LYS A 74 -7.518 -29.444 -4.239 1.00 2.39 H ATOM 1112 HG2 LYS A 74 -9.802 -30.200 -3.915 1.00 2.60 H ATOM 1113 HG3 LYS A 74 -9.948 -30.538 -5.642 1.00 2.69 H ATOM 1114 HD2 LYS A 74 -9.497 -32.577 -4.385 1.00 2.69 H ATOM 1115 HD3 LYS A 74 -8.159 -32.193 -5.463 1.00 2.66 H ATOM 1116 HE2 LYS A 74 -6.899 -31.269 -3.620 1.00 2.79 H ATOM 1117 HE3 LYS A 74 -8.250 -31.542 -2.524 1.00 2.80 H ATOM 1118 HZ1 LYS A 74 -6.567 -33.258 -2.314 1.00 3.31 H ATOM 1119 HZ2 LYS A 74 -6.726 -33.652 -3.949 1.00 3.32 H ATOM 1120 HZ3 LYS A 74 -8.014 -33.917 -2.887 1.00 3.27 H ATOM 1121 N HIS A 75 -8.793 -27.105 -3.158 1.00 1.87 N ATOM 1122 CA HIS A 75 -9.441 -26.663 -1.926 1.00 1.91 C ATOM 1123 C HIS A 75 -9.810 -25.188 -1.980 1.00 1.76 C ATOM 1124 O HIS A 75 -10.750 -24.753 -1.313 1.00 1.85 O ATOM 1125 CB HIS A 75 -8.541 -26.914 -0.712 1.00 2.06 C ATOM 1126 CG HIS A 75 -8.319 -28.361 -0.407 1.00 2.42 C ATOM 1127 ND1 HIS A 75 -9.180 -29.108 0.367 1.00 3.01 N ATOM 1128 CD2 HIS A 75 -7.319 -29.199 -0.765 1.00 2.91 C ATOM 1129 CE1 HIS A 75 -8.716 -30.339 0.478 1.00 3.51 C ATOM 1130 NE2 HIS A 75 -7.587 -30.423 -0.202 1.00 3.44 N ATOM 1131 H HIS A 75 -7.807 -27.062 -3.230 1.00 1.86 H ATOM 1132 HA HIS A 75 -10.348 -27.240 -1.811 1.00 2.08 H ATOM 1133 HB2 HIS A 75 -7.576 -26.461 -0.889 1.00 2.15 H ATOM 1134 HB3 HIS A 75 -8.989 -26.456 0.158 1.00 2.27 H ATOM 1135 HD1 HIS A 75 -10.014 -28.782 0.778 1.00 3.34 H ATOM 1136 HD2 HIS A 75 -6.468 -28.950 -1.386 1.00 3.24 H ATOM 1137 HE1 HIS A 75 -9.183 -31.145 1.027 1.00 4.16 H ATOM 1138 HE2 HIS A 75 -6.944 -31.165 -0.131 1.00 3.97 H ATOM 1139 N TRP A 76 -9.076 -24.417 -2.767 1.00 1.64 N ATOM 1140 CA TRP A 76 -9.282 -22.978 -2.807 1.00 1.54 C ATOM 1141 C TRP A 76 -9.341 -22.462 -4.237 1.00 1.63 C ATOM 1142 O TRP A 76 -8.812 -23.076 -5.165 1.00 1.75 O ATOM 1143 CB TRP A 76 -8.155 -22.248 -2.065 1.00 1.42 C ATOM 1144 CG TRP A 76 -8.083 -22.540 -0.598 1.00 1.56 C ATOM 1145 CD1 TRP A 76 -7.186 -23.354 0.030 1.00 1.71 C ATOM 1146 CD2 TRP A 76 -8.933 -22.013 0.429 1.00 1.96 C ATOM 1147 NE1 TRP A 76 -7.423 -23.366 1.381 1.00 2.03 N ATOM 1148 CE2 TRP A 76 -8.491 -22.552 1.651 1.00 2.23 C ATOM 1149 CE3 TRP A 76 -10.023 -21.138 0.435 1.00 2.34 C ATOM 1150 CZ2 TRP A 76 -9.098 -22.245 2.863 1.00 2.81 C ATOM 1151 CZ3 TRP A 76 -10.627 -20.835 1.641 1.00 2.96 C ATOM 1152 CH2 TRP A 76 -10.162 -21.387 2.841 1.00 3.17 C ATOM 1153 H TRP A 76 -8.388 -24.818 -3.343 1.00 1.70 H ATOM 1154 HA TRP A 76 -10.222 -22.765 -2.318 1.00 1.60 H ATOM 1155 HB2 TRP A 76 -7.208 -22.537 -2.501 1.00 1.50 H ATOM 1156 HB3 TRP A 76 -8.289 -21.182 -2.187 1.00 1.42 H ATOM 1157 HD1 TRP A 76 -6.405 -23.905 -0.476 1.00 1.82 H ATOM 1158 HE1 TRP A 76 -6.913 -23.877 2.046 1.00 2.25 H ATOM 1159 HE3 TRP A 76 -10.396 -20.704 -0.481 1.00 2.27 H ATOM 1160 HZ2 TRP A 76 -8.752 -22.662 3.797 1.00 3.07 H ATOM 1161 HZ3 TRP A 76 -11.470 -20.161 1.665 1.00 3.37 H ATOM 1162 HH2 TRP A 76 -10.664 -21.124 3.758 1.00 3.71 H ATOM 1163 N ASN A 77 -10.011 -21.338 -4.403 1.00 1.69 N ATOM 1164 CA ASN A 77 -9.957 -20.583 -5.639 1.00 1.80 C ATOM 1165 C ASN A 77 -9.463 -19.188 -5.310 1.00 1.61 C ATOM 1166 O ASN A 77 -9.928 -18.574 -4.346 1.00 1.51 O ATOM 1167 CB ASN A 77 -11.330 -20.520 -6.315 1.00 2.08 C ATOM 1168 CG ASN A 77 -11.294 -19.824 -7.668 1.00 2.31 C ATOM 1169 OD1 ASN A 77 -12.224 -19.105 -8.031 1.00 2.66 O ATOM 1170 ND2 ASN A 77 -10.242 -20.059 -8.442 1.00 2.69 N ATOM 1171 H ASN A 77 -10.563 -21.000 -3.662 1.00 1.73 H ATOM 1172 HA ASN A 77 -9.249 -21.061 -6.296 1.00 1.90 H ATOM 1173 HB2 ASN A 77 -11.699 -21.522 -6.461 1.00 2.29 H ATOM 1174 HB3 ASN A 77 -12.013 -19.981 -5.675 1.00 2.12 H ATOM 1175 HD21 ASN A 77 -9.543 -20.669 -8.110 1.00 3.00 H ATOM 1176 HD22 ASN A 77 -10.202 -19.616 -9.316 1.00 2.94 H ATOM 1177 N SER A 78 -8.531 -18.694 -6.097 1.00 1.67 N ATOM 1178 CA SER A 78 -7.844 -17.463 -5.770 1.00 1.53 C ATOM 1179 C SER A 78 -8.026 -16.412 -6.857 1.00 1.58 C ATOM 1180 O SER A 78 -8.353 -16.730 -8.004 1.00 1.76 O ATOM 1181 CB SER A 78 -6.358 -17.764 -5.537 1.00 1.61 C ATOM 1182 OG SER A 78 -5.586 -16.581 -5.467 1.00 1.93 O ATOM 1183 H SER A 78 -8.298 -19.164 -6.929 1.00 1.87 H ATOM 1184 HA SER A 78 -8.268 -17.083 -4.854 1.00 1.50 H ATOM 1185 HB2 SER A 78 -6.249 -18.298 -4.607 1.00 2.01 H ATOM 1186 HB3 SER A 78 -5.985 -18.376 -6.344 1.00 1.85 H ATOM 1187 HG SER A 78 -5.237 -16.480 -4.571 1.00 2.16 H ATOM 1188 N TYR A 79 -7.831 -15.160 -6.479 1.00 1.51 N ATOM 1189 CA TYR A 79 -7.910 -14.048 -7.407 1.00 1.60 C ATOM 1190 C TYR A 79 -7.077 -12.893 -6.868 1.00 1.44 C ATOM 1191 O TYR A 79 -7.105 -12.602 -5.669 1.00 1.36 O ATOM 1192 CB TYR A 79 -9.370 -13.619 -7.604 1.00 1.88 C ATOM 1193 CG TYR A 79 -9.560 -12.533 -8.642 1.00 1.88 C ATOM 1194 CD1 TYR A 79 -9.687 -11.200 -8.271 1.00 1.92 C ATOM 1195 CD2 TYR A 79 -9.617 -12.843 -9.995 1.00 2.38 C ATOM 1196 CE1 TYR A 79 -9.864 -10.210 -9.214 1.00 2.32 C ATOM 1197 CE2 TYR A 79 -9.793 -11.857 -10.944 1.00 3.05 C ATOM 1198 CZ TYR A 79 -9.916 -10.541 -10.547 1.00 2.97 C ATOM 1199 OH TYR A 79 -10.092 -9.554 -11.489 1.00 3.73 O ATOM 1200 H TYR A 79 -7.614 -14.977 -5.537 1.00 1.47 H ATOM 1201 HA TYR A 79 -7.498 -14.369 -8.351 1.00 1.68 H ATOM 1202 HB2 TYR A 79 -9.950 -14.476 -7.917 1.00 2.20 H ATOM 1203 HB3 TYR A 79 -9.759 -13.252 -6.664 1.00 2.29 H ATOM 1204 HD1 TYR A 79 -9.645 -10.942 -7.223 1.00 1.98 H ATOM 1205 HD2 TYR A 79 -9.521 -13.872 -10.301 1.00 2.48 H ATOM 1206 HE1 TYR A 79 -9.959 -9.179 -8.905 1.00 2.36 H ATOM 1207 HE2 TYR A 79 -9.834 -12.117 -11.991 1.00 3.73 H ATOM 1208 HH TYR A 79 -9.523 -8.803 -11.273 1.00 4.07 H ATOM 1209 N CYS A 80 -6.317 -12.259 -7.742 1.00 1.46 N ATOM 1210 CA CYS A 80 -5.480 -11.141 -7.343 1.00 1.34 C ATOM 1211 C CYS A 80 -6.245 -9.829 -7.506 1.00 1.42 C ATOM 1212 O CYS A 80 -6.546 -9.403 -8.627 1.00 1.67 O ATOM 1213 CB CYS A 80 -4.194 -11.143 -8.167 1.00 1.42 C ATOM 1214 SG CYS A 80 -3.256 -12.703 -8.053 1.00 1.48 S ATOM 1215 H CYS A 80 -6.309 -12.552 -8.679 1.00 1.59 H ATOM 1216 HA CYS A 80 -5.232 -11.271 -6.299 1.00 1.22 H ATOM 1217 HB2 CYS A 80 -4.437 -10.982 -9.207 1.00 1.61 H ATOM 1218 HB3 CYS A 80 -3.550 -10.344 -7.821 1.00 1.39 H ATOM 1219 N THR A 81 -6.565 -9.201 -6.383 1.00 1.29 N ATOM 1220 CA THR A 81 -7.416 -8.019 -6.375 1.00 1.39 C ATOM 1221 C THR A 81 -6.638 -6.786 -5.917 1.00 1.25 C ATOM 1222 O THR A 81 -5.884 -6.843 -4.946 1.00 1.40 O ATOM 1223 CB THR A 81 -8.628 -8.232 -5.445 1.00 1.72 C ATOM 1224 OG1 THR A 81 -9.276 -9.467 -5.771 1.00 2.24 O ATOM 1225 CG2 THR A 81 -9.629 -7.089 -5.563 1.00 1.93 C ATOM 1226 H THR A 81 -6.203 -9.535 -5.528 1.00 1.23 H ATOM 1227 HA THR A 81 -7.777 -7.859 -7.380 1.00 1.56 H ATOM 1228 HB THR A 81 -8.279 -8.279 -4.423 1.00 1.95 H ATOM 1229 HG1 THR A 81 -8.755 -10.199 -5.431 1.00 2.49 H ATOM 1230 HG21 THR A 81 -9.992 -7.030 -6.579 1.00 2.15 H ATOM 1231 HG22 THR A 81 -9.147 -6.159 -5.298 1.00 2.16 H ATOM 1232 HG23 THR A 81 -10.460 -7.265 -4.896 1.00 2.47 H ATOM 1233 N THR A 82 -6.809 -5.682 -6.628 1.00 1.35 N ATOM 1234 CA THR A 82 -6.182 -4.429 -6.251 1.00 1.47 C ATOM 1235 C THR A 82 -6.972 -3.710 -5.166 1.00 1.37 C ATOM 1236 O THR A 82 -8.154 -3.406 -5.337 1.00 1.91 O ATOM 1237 CB THR A 82 -6.039 -3.500 -7.464 1.00 2.18 C ATOM 1238 OG1 THR A 82 -7.088 -3.762 -8.407 1.00 2.78 O ATOM 1239 CG2 THR A 82 -4.688 -3.685 -8.125 1.00 2.66 C ATOM 1240 H THR A 82 -7.362 -5.709 -7.438 1.00 1.56 H ATOM 1241 HA THR A 82 -5.196 -4.650 -5.876 1.00 1.54 H ATOM 1242 HB THR A 82 -6.120 -2.478 -7.126 1.00 2.46 H ATOM 1243 HG1 THR A 82 -6.841 -3.396 -9.269 1.00 3.00 H ATOM 1244 HG21 THR A 82 -4.570 -4.716 -8.418 1.00 3.09 H ATOM 1245 HG22 THR A 82 -3.905 -3.417 -7.430 1.00 2.96 H ATOM 1246 HG23 THR A 82 -4.627 -3.055 -8.999 1.00 2.98 H ATOM 1247 N THR A 83 -6.315 -3.449 -4.049 1.00 1.15 N ATOM 1248 CA THR A 83 -6.905 -2.658 -2.988 1.00 1.29 C ATOM 1249 C THR A 83 -6.828 -1.179 -3.346 1.00 1.00 C ATOM 1250 O THR A 83 -5.999 -0.782 -4.165 1.00 1.42 O ATOM 1251 CB THR A 83 -6.183 -2.910 -1.648 1.00 2.04 C ATOM 1252 OG1 THR A 83 -4.763 -2.902 -1.850 1.00 2.69 O ATOM 1253 CG2 THR A 83 -6.609 -4.239 -1.043 1.00 2.60 C ATOM 1254 H THR A 83 -5.400 -3.790 -3.938 1.00 1.29 H ATOM 1255 HA THR A 83 -7.941 -2.948 -2.885 1.00 1.67 H ATOM 1256 HB THR A 83 -6.445 -2.118 -0.961 1.00 2.56 H ATOM 1257 HG1 THR A 83 -4.462 -3.799 -2.032 1.00 3.17 H ATOM 1258 HG21 THR A 83 -6.088 -4.393 -0.111 1.00 3.04 H ATOM 1259 HG22 THR A 83 -6.368 -5.040 -1.726 1.00 2.95 H ATOM 1260 HG23 THR A 83 -7.674 -4.228 -0.862 1.00 2.95 H ATOM 1261 N HIS A 84 -7.691 -0.371 -2.757 1.00 1.07 N ATOM 1262 CA HIS A 84 -7.683 1.060 -3.026 1.00 1.19 C ATOM 1263 C HIS A 84 -7.708 1.853 -1.728 1.00 1.16 C ATOM 1264 O HIS A 84 -8.473 1.546 -0.813 1.00 1.55 O ATOM 1265 CB HIS A 84 -8.851 1.467 -3.945 1.00 1.91 C ATOM 1266 CG HIS A 84 -10.200 0.973 -3.510 1.00 2.36 C ATOM 1267 ND1 HIS A 84 -10.874 -0.037 -4.164 1.00 2.97 N ATOM 1268 CD2 HIS A 84 -11.014 1.365 -2.497 1.00 3.03 C ATOM 1269 CE1 HIS A 84 -12.036 -0.242 -3.577 1.00 3.66 C ATOM 1270 NE2 HIS A 84 -12.146 0.594 -2.562 1.00 3.71 N ATOM 1271 H HIS A 84 -8.338 -0.738 -2.116 1.00 1.48 H ATOM 1272 HA HIS A 84 -6.753 1.280 -3.533 1.00 1.28 H ATOM 1273 HB2 HIS A 84 -8.899 2.545 -3.993 1.00 2.28 H ATOM 1274 HB3 HIS A 84 -8.666 1.083 -4.939 1.00 2.45 H ATOM 1275 HD1 HIS A 84 -10.548 -0.530 -4.953 1.00 3.23 H ATOM 1276 HD2 HIS A 84 -10.807 2.140 -1.771 1.00 3.38 H ATOM 1277 HE1 HIS A 84 -12.773 -0.972 -3.875 1.00 4.37 H ATOM 1278 HE2 HIS A 84 -12.978 0.767 -2.066 1.00 4.40 H ATOM 1279 N THR A 85 -6.860 2.861 -1.645 1.00 0.98 N ATOM 1280 CA THR A 85 -6.772 3.682 -0.452 1.00 1.03 C ATOM 1281 C THR A 85 -7.047 5.137 -0.809 1.00 0.97 C ATOM 1282 O THR A 85 -7.074 5.489 -1.986 1.00 0.94 O ATOM 1283 CB THR A 85 -5.386 3.553 0.221 1.00 1.13 C ATOM 1284 OG1 THR A 85 -5.408 4.178 1.511 1.00 1.48 O ATOM 1285 CG2 THR A 85 -4.295 4.186 -0.634 1.00 1.09 C ATOM 1286 H THR A 85 -6.277 3.064 -2.413 1.00 1.04 H ATOM 1287 HA THR A 85 -7.528 3.343 0.244 1.00 1.21 H ATOM 1288 HB THR A 85 -5.158 2.502 0.344 1.00 1.29 H ATOM 1289 HG1 THR A 85 -4.722 3.795 2.067 1.00 1.61 H ATOM 1290 HG21 THR A 85 -3.340 4.071 -0.146 1.00 1.49 H ATOM 1291 HG22 THR A 85 -4.507 5.238 -0.765 1.00 1.40 H ATOM 1292 HG23 THR A 85 -4.268 3.702 -1.599 1.00 1.61 H ATOM 1293 N PHE A 86 -7.241 5.975 0.198 1.00 1.08 N ATOM 1294 CA PHE A 86 -7.609 7.363 -0.030 1.00 1.06 C ATOM 1295 C PHE A 86 -6.508 8.296 0.453 1.00 1.08 C ATOM 1296 O PHE A 86 -6.182 8.328 1.640 1.00 1.21 O ATOM 1297 CB PHE A 86 -8.930 7.693 0.673 1.00 1.21 C ATOM 1298 CG PHE A 86 -10.086 6.859 0.198 1.00 1.20 C ATOM 1299 CD1 PHE A 86 -10.780 7.202 -0.953 1.00 1.70 C ATOM 1300 CD2 PHE A 86 -10.481 5.732 0.901 1.00 1.66 C ATOM 1301 CE1 PHE A 86 -11.842 6.436 -1.393 1.00 1.67 C ATOM 1302 CE2 PHE A 86 -11.542 4.962 0.466 1.00 1.75 C ATOM 1303 CZ PHE A 86 -12.224 5.315 -0.681 1.00 1.29 C ATOM 1304 H PHE A 86 -7.105 5.658 1.117 1.00 1.22 H ATOM 1305 HA PHE A 86 -7.733 7.497 -1.095 1.00 0.96 H ATOM 1306 HB2 PHE A 86 -8.816 7.531 1.737 1.00 1.33 H ATOM 1307 HB3 PHE A 86 -9.173 8.732 0.495 1.00 1.26 H ATOM 1308 HD1 PHE A 86 -10.482 8.078 -1.510 1.00 2.46 H ATOM 1309 HD2 PHE A 86 -9.948 5.455 1.799 1.00 2.34 H ATOM 1310 HE1 PHE A 86 -12.374 6.716 -2.292 1.00 2.36 H ATOM 1311 HE2 PHE A 86 -11.839 4.086 1.023 1.00 2.52 H ATOM 1312 HZ PHE A 86 -13.054 4.714 -1.024 1.00 1.35 H ATOM 1313 N VAL A 87 -5.938 9.050 -0.474 1.00 0.99 N ATOM 1314 CA VAL A 87 -4.856 9.969 -0.157 1.00 1.04 C ATOM 1315 C VAL A 87 -5.309 11.417 -0.312 1.00 1.05 C ATOM 1316 O VAL A 87 -6.125 11.732 -1.182 1.00 0.96 O ATOM 1317 CB VAL A 87 -3.620 9.724 -1.053 1.00 1.01 C ATOM 1318 CG1 VAL A 87 -2.983 8.383 -0.731 1.00 1.08 C ATOM 1319 CG2 VAL A 87 -3.990 9.788 -2.528 1.00 0.91 C ATOM 1320 H VAL A 87 -6.263 8.992 -1.403 1.00 0.90 H ATOM 1321 HA VAL A 87 -4.569 9.802 0.872 1.00 1.17 H ATOM 1322 HB VAL A 87 -2.895 10.498 -0.855 1.00 1.07 H ATOM 1323 HG11 VAL A 87 -2.647 8.380 0.294 1.00 1.50 H ATOM 1324 HG12 VAL A 87 -2.141 8.220 -1.387 1.00 1.38 H ATOM 1325 HG13 VAL A 87 -3.710 7.597 -0.875 1.00 1.59 H ATOM 1326 HG21 VAL A 87 -4.416 10.756 -2.751 1.00 1.43 H ATOM 1327 HG22 VAL A 87 -4.713 9.017 -2.751 1.00 1.37 H ATOM 1328 HG23 VAL A 87 -3.106 9.636 -3.127 1.00 1.24 H ATOM 1329 N LYS A 88 -4.789 12.294 0.544 1.00 1.26 N ATOM 1330 CA LYS A 88 -5.113 13.712 0.465 1.00 1.35 C ATOM 1331 C LYS A 88 -4.307 14.388 -0.640 1.00 1.22 C ATOM 1332 O LYS A 88 -3.078 14.505 -0.564 1.00 1.34 O ATOM 1333 CB LYS A 88 -4.883 14.429 1.810 1.00 1.73 C ATOM 1334 CG LYS A 88 -3.468 14.320 2.367 1.00 1.96 C ATOM 1335 CD LYS A 88 -3.128 15.535 3.217 1.00 2.51 C ATOM 1336 CE LYS A 88 -1.782 15.396 3.910 1.00 3.13 C ATOM 1337 NZ LYS A 88 -1.821 14.404 5.018 1.00 3.82 N1+ ATOM 1338 H LYS A 88 -4.183 11.976 1.241 1.00 1.40 H ATOM 1339 HA LYS A 88 -6.162 13.785 0.211 1.00 1.38 H ATOM 1340 HB2 LYS A 88 -5.105 15.478 1.682 1.00 2.13 H ATOM 1341 HB3 LYS A 88 -5.565 14.018 2.539 1.00 2.10 H ATOM 1342 HG2 LYS A 88 -3.394 13.433 2.975 1.00 2.10 H ATOM 1343 HG3 LYS A 88 -2.769 14.259 1.548 1.00 2.23 H ATOM 1344 HD2 LYS A 88 -3.098 16.402 2.576 1.00 2.85 H ATOM 1345 HD3 LYS A 88 -3.896 15.666 3.964 1.00 2.62 H ATOM 1346 HE2 LYS A 88 -1.049 15.084 3.182 1.00 3.36 H ATOM 1347 HE3 LYS A 88 -1.501 16.357 4.310 1.00 3.47 H ATOM 1348 HZ1 LYS A 88 -2.443 14.748 5.784 1.00 4.13 H ATOM 1349 HZ2 LYS A 88 -0.865 14.257 5.402 1.00 4.22 H ATOM 1350 HZ3 LYS A 88 -2.185 13.494 4.673 1.00 4.12 H ATOM 1351 N ALA A 89 -5.004 14.802 -1.680 1.00 1.10 N ATOM 1352 CA ALA A 89 -4.389 15.502 -2.789 1.00 1.08 C ATOM 1353 C ALA A 89 -5.148 16.783 -3.086 1.00 1.05 C ATOM 1354 O ALA A 89 -6.357 16.858 -2.859 1.00 1.04 O ATOM 1355 CB ALA A 89 -4.350 14.609 -4.020 1.00 1.13 C ATOM 1356 H ALA A 89 -5.980 14.641 -1.696 1.00 1.12 H ATOM 1357 HA ALA A 89 -3.372 15.748 -2.512 1.00 1.20 H ATOM 1358 HB1 ALA A 89 -3.821 13.697 -3.787 1.00 1.57 H ATOM 1359 HB2 ALA A 89 -3.841 15.125 -4.822 1.00 1.54 H ATOM 1360 HB3 ALA A 89 -5.358 14.373 -4.327 1.00 1.50 H ATOM 1361 N LEU A 90 -4.447 17.789 -3.576 1.00 1.11 N ATOM 1362 CA LEU A 90 -5.101 19.010 -4.003 1.00 1.11 C ATOM 1363 C LEU A 90 -5.759 18.756 -5.347 1.00 1.06 C ATOM 1364 O LEU A 90 -5.079 18.584 -6.356 1.00 1.11 O ATOM 1365 CB LEU A 90 -4.096 20.162 -4.120 1.00 1.24 C ATOM 1366 CG LEU A 90 -4.714 21.549 -4.324 1.00 1.30 C ATOM 1367 CD1 LEU A 90 -5.346 22.052 -3.035 1.00 1.45 C ATOM 1368 CD2 LEU A 90 -3.666 22.528 -4.823 1.00 1.45 C ATOM 1369 H LEU A 90 -3.477 17.706 -3.665 1.00 1.19 H ATOM 1370 HA LEU A 90 -5.860 19.259 -3.276 1.00 1.11 H ATOM 1371 HB2 LEU A 90 -3.497 20.184 -3.217 1.00 1.36 H ATOM 1372 HB3 LEU A 90 -3.446 19.957 -4.959 1.00 1.37 H ATOM 1373 HG LEU A 90 -5.493 21.482 -5.070 1.00 1.35 H ATOM 1374 HD11 LEU A 90 -4.603 22.064 -2.252 1.00 1.83 H ATOM 1375 HD12 LEU A 90 -6.158 21.399 -2.753 1.00 1.79 H ATOM 1376 HD13 LEU A 90 -5.725 23.052 -3.188 1.00 1.84 H ATOM 1377 HD21 LEU A 90 -2.866 22.601 -4.101 1.00 1.81 H ATOM 1378 HD22 LEU A 90 -4.119 23.501 -4.959 1.00 1.87 H ATOM 1379 HD23 LEU A 90 -3.269 22.182 -5.768 1.00 1.72 H ATOM 1380 N THR A 91 -7.073 18.688 -5.354 1.00 1.02 N ATOM 1381 CA THR A 91 -7.803 18.359 -6.560 1.00 0.99 C ATOM 1382 C THR A 91 -8.839 19.430 -6.855 1.00 1.06 C ATOM 1383 O THR A 91 -9.229 20.187 -5.967 1.00 1.14 O ATOM 1384 CB THR A 91 -8.510 16.995 -6.427 1.00 0.99 C ATOM 1385 OG1 THR A 91 -9.513 17.067 -5.411 1.00 1.08 O ATOM 1386 CG2 THR A 91 -7.525 15.889 -6.072 1.00 0.99 C ATOM 1387 H THR A 91 -7.571 18.875 -4.526 1.00 1.04 H ATOM 1388 HA THR A 91 -7.102 18.307 -7.378 1.00 1.00 H ATOM 1389 HB THR A 91 -8.977 16.753 -7.371 1.00 1.02 H ATOM 1390 HG1 THR A 91 -9.120 17.396 -4.599 1.00 1.25 H ATOM 1391 HG21 THR A 91 -6.768 15.821 -6.837 1.00 1.40 H ATOM 1392 HG22 THR A 91 -8.050 14.949 -6.001 1.00 1.44 H ATOM 1393 HG23 THR A 91 -7.059 16.115 -5.124 1.00 1.42 H ATOM 1394 N THR A 92 -9.279 19.505 -8.095 1.00 1.07 N ATOM 1395 CA THR A 92 -10.306 20.451 -8.462 1.00 1.17 C ATOM 1396 C THR A 92 -11.466 19.734 -9.148 1.00 1.18 C ATOM 1397 O THR A 92 -11.273 18.969 -10.094 1.00 1.13 O ATOM 1398 CB THR A 92 -9.745 21.583 -9.357 1.00 1.22 C ATOM 1399 OG1 THR A 92 -10.780 22.522 -9.666 1.00 1.32 O ATOM 1400 CG2 THR A 92 -9.145 21.044 -10.647 1.00 1.16 C ATOM 1401 H THR A 92 -8.905 18.904 -8.780 1.00 1.04 H ATOM 1402 HA THR A 92 -10.675 20.898 -7.548 1.00 1.27 H ATOM 1403 HB THR A 92 -8.967 22.095 -8.809 1.00 1.29 H ATOM 1404 HG1 THR A 92 -11.042 22.982 -8.859 1.00 1.63 H ATOM 1405 HG21 THR A 92 -8.738 21.861 -11.224 1.00 1.57 H ATOM 1406 HG22 THR A 92 -9.915 20.547 -11.219 1.00 1.45 H ATOM 1407 HG23 THR A 92 -8.360 20.341 -10.412 1.00 1.59 H ATOM 1408 N ASP A 93 -12.667 19.949 -8.629 1.00 1.33 N ATOM 1409 CA ASP A 93 -13.862 19.339 -9.195 1.00 1.45 C ATOM 1410 C ASP A 93 -14.328 20.106 -10.429 1.00 1.51 C ATOM 1411 O ASP A 93 -15.094 19.580 -11.237 1.00 1.77 O ATOM 1412 CB ASP A 93 -14.984 19.257 -8.149 1.00 1.64 C ATOM 1413 CG ASP A 93 -15.341 20.604 -7.554 1.00 1.92 C ATOM 1414 OD1 ASP A 93 -16.313 21.229 -8.016 1.00 2.47 O ATOM 1415 OD2 ASP A 93 -14.646 21.047 -6.616 1.00 2.40 O1+ ATOM 1416 H ASP A 93 -12.753 20.524 -7.839 1.00 1.42 H ATOM 1417 HA ASP A 93 -13.598 18.337 -9.498 1.00 1.48 H ATOM 1418 HB2 ASP A 93 -15.869 18.846 -8.610 1.00 1.94 H ATOM 1419 HB3 ASP A 93 -14.669 18.605 -7.348 1.00 2.00 H ATOM 1420 N GLU A 94 -13.854 21.342 -10.575 1.00 1.50 N ATOM 1421 CA GLU A 94 -14.120 22.125 -11.777 1.00 1.60 C ATOM 1422 C GLU A 94 -13.186 23.337 -11.879 1.00 1.56 C ATOM 1423 O GLU A 94 -12.446 23.471 -12.856 1.00 1.66 O ATOM 1424 CB GLU A 94 -15.597 22.555 -11.862 1.00 1.80 C ATOM 1425 CG GLU A 94 -16.124 23.292 -10.642 1.00 2.27 C ATOM 1426 CD GLU A 94 -17.584 23.675 -10.786 1.00 2.55 C ATOM 1427 OE1 GLU A 94 -18.462 22.843 -10.469 1.00 3.09 O ATOM 1428 OE2 GLU A 94 -17.867 24.811 -11.219 1.00 2.88 O1+ ATOM 1429 H GLU A 94 -13.307 21.732 -9.863 1.00 1.60 H ATOM 1430 HA GLU A 94 -13.910 21.481 -12.618 1.00 1.67 H ATOM 1431 HB2 GLU A 94 -15.717 23.200 -12.718 1.00 2.08 H ATOM 1432 HB3 GLU A 94 -16.201 21.673 -12.004 1.00 1.97 H ATOM 1433 HG2 GLU A 94 -16.016 22.658 -9.779 1.00 2.65 H ATOM 1434 HG3 GLU A 94 -15.544 24.193 -10.502 1.00 2.75 H ATOM 1435 N LYS A 95 -13.199 24.210 -10.876 1.00 1.56 N ATOM 1436 CA LYS A 95 -12.396 25.427 -10.930 1.00 1.61 C ATOM 1437 C LYS A 95 -11.531 25.590 -9.682 1.00 1.63 C ATOM 1438 O LYS A 95 -10.321 25.792 -9.778 1.00 2.06 O ATOM 1439 CB LYS A 95 -13.295 26.652 -11.101 1.00 1.79 C ATOM 1440 CG LYS A 95 -14.096 26.646 -12.393 1.00 2.06 C ATOM 1441 CD LYS A 95 -14.887 27.927 -12.560 1.00 2.22 C ATOM 1442 CE LYS A 95 -15.772 27.875 -13.791 1.00 2.75 C ATOM 1443 NZ LYS A 95 -16.521 29.142 -13.992 1.00 3.29 N1+ ATOM 1444 H LYS A 95 -13.757 24.033 -10.089 1.00 1.62 H ATOM 1445 HA LYS A 95 -11.746 25.352 -11.789 1.00 1.62 H ATOM 1446 HB2 LYS A 95 -13.989 26.692 -10.277 1.00 1.97 H ATOM 1447 HB3 LYS A 95 -12.684 27.539 -11.085 1.00 2.04 H ATOM 1448 HG2 LYS A 95 -13.418 26.541 -13.227 1.00 2.35 H ATOM 1449 HG3 LYS A 95 -14.780 25.812 -12.376 1.00 2.28 H ATOM 1450 HD2 LYS A 95 -15.507 28.068 -11.691 1.00 2.26 H ATOM 1451 HD3 LYS A 95 -14.199 28.756 -12.655 1.00 2.30 H ATOM 1452 HE2 LYS A 95 -15.153 27.692 -14.658 1.00 3.06 H ATOM 1453 HE3 LYS A 95 -16.475 27.063 -13.674 1.00 3.08 H ATOM 1454 HZ1 LYS A 95 -17.120 29.340 -13.163 1.00 3.59 H ATOM 1455 HZ2 LYS A 95 -17.130 29.068 -14.833 1.00 3.75 H ATOM 1456 HZ3 LYS A 95 -15.859 29.932 -14.126 1.00 3.52 H ATOM 1457 N GLN A 96 -12.154 25.500 -8.516 1.00 1.54 N ATOM 1458 CA GLN A 96 -11.450 25.692 -7.254 1.00 1.58 C ATOM 1459 C GLN A 96 -10.642 24.451 -6.887 1.00 1.44 C ATOM 1460 O GLN A 96 -11.134 23.326 -7.004 1.00 1.45 O ATOM 1461 CB GLN A 96 -12.449 26.015 -6.138 1.00 1.76 C ATOM 1462 CG GLN A 96 -11.797 26.288 -4.791 1.00 2.14 C ATOM 1463 CD GLN A 96 -10.829 27.454 -4.845 1.00 2.36 C ATOM 1464 OE1 GLN A 96 -11.008 28.386 -5.627 1.00 2.74 O ATOM 1465 NE2 GLN A 96 -9.797 27.405 -4.022 1.00 2.71 N ATOM 1466 H GLN A 96 -13.114 25.290 -8.500 1.00 1.71 H ATOM 1467 HA GLN A 96 -10.772 26.524 -7.373 1.00 1.66 H ATOM 1468 HB2 GLN A 96 -13.017 26.890 -6.419 1.00 1.79 H ATOM 1469 HB3 GLN A 96 -13.125 25.181 -6.022 1.00 2.10 H ATOM 1470 HG2 GLN A 96 -12.570 26.512 -4.071 1.00 2.50 H ATOM 1471 HG3 GLN A 96 -11.259 25.404 -4.478 1.00 2.55 H ATOM 1472 HE21 GLN A 96 -9.712 26.631 -3.427 1.00 2.95 H ATOM 1473 HE22 GLN A 96 -9.153 28.146 -4.042 1.00 3.02 H ATOM 1474 N ALA A 97 -9.404 24.656 -6.462 1.00 1.40 N ATOM 1475 CA ALA A 97 -8.561 23.560 -6.009 1.00 1.31 C ATOM 1476 C ALA A 97 -8.700 23.378 -4.503 1.00 1.32 C ATOM 1477 O ALA A 97 -8.594 24.342 -3.742 1.00 1.44 O ATOM 1478 CB ALA A 97 -7.109 23.809 -6.383 1.00 1.36 C ATOM 1479 H ALA A 97 -9.048 25.571 -6.445 1.00 1.49 H ATOM 1480 HA ALA A 97 -8.890 22.658 -6.506 1.00 1.25 H ATOM 1481 HB1 ALA A 97 -6.755 24.697 -5.882 1.00 1.80 H ATOM 1482 HB2 ALA A 97 -7.029 23.942 -7.451 1.00 1.65 H ATOM 1483 HB3 ALA A 97 -6.510 22.963 -6.081 1.00 1.68 H ATOM 1484 N ALA A 98 -8.945 22.148 -4.077 1.00 1.23 N ATOM 1485 CA ALA A 98 -9.160 21.851 -2.672 1.00 1.27 C ATOM 1486 C ALA A 98 -8.546 20.509 -2.298 1.00 1.15 C ATOM 1487 O ALA A 98 -8.402 19.624 -3.142 1.00 1.08 O ATOM 1488 CB ALA A 98 -10.648 21.849 -2.368 1.00 1.38 C ATOM 1489 H ALA A 98 -8.984 21.412 -4.729 1.00 1.16 H ATOM 1490 HA ALA A 98 -8.693 22.631 -2.090 1.00 1.38 H ATOM 1491 HB1 ALA A 98 -11.134 21.084 -2.956 1.00 1.70 H ATOM 1492 HB2 ALA A 98 -11.066 22.813 -2.614 1.00 1.79 H ATOM 1493 HB3 ALA A 98 -10.802 21.648 -1.318 1.00 1.76 H ATOM 1494 N TRP A 99 -8.183 20.365 -1.032 1.00 1.19 N ATOM 1495 CA TRP A 99 -7.597 19.125 -0.535 1.00 1.15 C ATOM 1496 C TRP A 99 -8.672 18.059 -0.378 1.00 1.14 C ATOM 1497 O TRP A 99 -9.535 18.159 0.494 1.00 1.29 O ATOM 1498 CB TRP A 99 -6.890 19.359 0.803 1.00 1.29 C ATOM 1499 CG TRP A 99 -5.692 20.255 0.695 1.00 1.34 C ATOM 1500 CD1 TRP A 99 -5.670 21.617 0.784 1.00 1.59 C ATOM 1501 CD2 TRP A 99 -4.339 19.844 0.473 1.00 1.48 C ATOM 1502 NE1 TRP A 99 -4.384 22.077 0.629 1.00 1.59 N ATOM 1503 CE2 TRP A 99 -3.549 21.008 0.439 1.00 1.50 C ATOM 1504 CE3 TRP A 99 -3.721 18.603 0.303 1.00 1.93 C ATOM 1505 CZ2 TRP A 99 -2.172 20.967 0.240 1.00 1.75 C ATOM 1506 CZ3 TRP A 99 -2.354 18.563 0.105 1.00 2.35 C ATOM 1507 CH2 TRP A 99 -1.593 19.737 0.076 1.00 2.19 C ATOM 1508 H TRP A 99 -8.320 21.114 -0.410 1.00 1.31 H ATOM 1509 HA TRP A 99 -6.874 18.786 -1.264 1.00 1.12 H ATOM 1510 HB2 TRP A 99 -7.583 19.812 1.496 1.00 1.40 H ATOM 1511 HB3 TRP A 99 -6.563 18.411 1.204 1.00 1.32 H ATOM 1512 HD1 TRP A 99 -6.543 22.230 0.947 1.00 1.95 H ATOM 1513 HE1 TRP A 99 -4.110 23.018 0.654 1.00 1.83 H ATOM 1514 HE3 TRP A 99 -4.293 17.687 0.323 1.00 2.10 H ATOM 1515 HZ2 TRP A 99 -1.571 21.862 0.213 1.00 1.77 H ATOM 1516 HZ3 TRP A 99 -1.859 17.614 -0.027 1.00 2.88 H ATOM 1517 HH2 TRP A 99 -0.527 19.660 -0.081 1.00 2.54 H ATOM 1518 N ARG A 100 -8.621 17.052 -1.234 1.00 1.07 N ATOM 1519 CA ARG A 100 -9.613 15.988 -1.233 1.00 1.17 C ATOM 1520 C ARG A 100 -8.936 14.638 -1.072 1.00 1.07 C ATOM 1521 O ARG A 100 -7.753 14.486 -1.380 1.00 1.11 O ATOM 1522 CB ARG A 100 -10.405 16.009 -2.543 1.00 1.34 C ATOM 1523 CG ARG A 100 -11.144 17.313 -2.803 1.00 1.50 C ATOM 1524 CD ARG A 100 -12.333 17.488 -1.874 1.00 1.81 C ATOM 1525 NE ARG A 100 -13.339 16.445 -2.073 1.00 2.30 N ATOM 1526 CZ ARG A 100 -14.619 16.687 -2.342 1.00 2.80 C ATOM 1527 NH1 ARG A 100 -15.052 17.935 -2.473 1.00 2.96 N1+ ATOM 1528 NH2 ARG A 100 -15.471 15.680 -2.485 1.00 3.48 N ATOM 1529 H ARG A 100 -7.886 17.015 -1.888 1.00 1.05 H ATOM 1530 HA ARG A 100 -10.282 16.149 -0.401 1.00 1.35 H ATOM 1531 HB2 ARG A 100 -9.722 15.843 -3.364 1.00 1.33 H ATOM 1532 HB3 ARG A 100 -11.130 15.207 -2.526 1.00 1.51 H ATOM 1533 HG2 ARG A 100 -10.459 18.137 -2.657 1.00 1.43 H ATOM 1534 HG3 ARG A 100 -11.493 17.316 -3.825 1.00 1.74 H ATOM 1535 HD2 ARG A 100 -11.990 17.454 -0.852 1.00 2.09 H ATOM 1536 HD3 ARG A 100 -12.783 18.450 -2.066 1.00 1.99 H ATOM 1537 HE ARG A 100 -13.036 15.502 -1.995 1.00 2.55 H ATOM 1538 HH11 ARG A 100 -14.416 18.706 -2.367 1.00 2.78 H ATOM 1539 HH12 ARG A 100 -16.017 18.117 -2.681 1.00 3.49 H ATOM 1540 HH21 ARG A 100 -15.152 14.724 -2.385 1.00 3.70 H ATOM 1541 HH22 ARG A 100 -16.433 15.863 -2.703 1.00 3.92 H ATOM 1542 N PHE A 101 -9.688 13.667 -0.583 1.00 1.05 N ATOM 1543 CA PHE A 101 -9.188 12.309 -0.438 1.00 1.01 C ATOM 1544 C PHE A 101 -9.569 11.488 -1.662 1.00 0.94 C ATOM 1545 O PHE A 101 -10.749 11.233 -1.900 1.00 0.99 O ATOM 1546 CB PHE A 101 -9.755 11.649 0.825 1.00 1.13 C ATOM 1547 CG PHE A 101 -9.289 12.275 2.108 1.00 1.23 C ATOM 1548 CD1 PHE A 101 -9.949 13.370 2.646 1.00 1.70 C ATOM 1549 CD2 PHE A 101 -8.197 11.758 2.784 1.00 1.81 C ATOM 1550 CE1 PHE A 101 -9.526 13.936 3.832 1.00 1.81 C ATOM 1551 CE2 PHE A 101 -7.770 12.320 3.970 1.00 1.98 C ATOM 1552 CZ PHE A 101 -8.436 13.410 4.494 1.00 1.60 C ATOM 1553 H PHE A 101 -10.613 13.867 -0.323 1.00 1.14 H ATOM 1554 HA PHE A 101 -8.109 12.356 -0.365 1.00 0.99 H ATOM 1555 HB2 PHE A 101 -10.833 11.710 0.802 1.00 1.18 H ATOM 1556 HB3 PHE A 101 -9.465 10.610 0.840 1.00 1.18 H ATOM 1557 HD1 PHE A 101 -10.803 13.784 2.129 1.00 2.38 H ATOM 1558 HD2 PHE A 101 -7.674 10.906 2.373 1.00 2.48 H ATOM 1559 HE1 PHE A 101 -10.047 14.788 4.240 1.00 2.48 H ATOM 1560 HE2 PHE A 101 -6.915 11.908 4.486 1.00 2.74 H ATOM 1561 HZ PHE A 101 -8.103 13.850 5.422 1.00 1.77 H ATOM 1562 N ILE A 102 -8.575 11.067 -2.428 1.00 0.86 N ATOM 1563 CA ILE A 102 -8.829 10.330 -3.660 1.00 0.78 C ATOM 1564 C ILE A 102 -8.327 8.901 -3.546 1.00 0.76 C ATOM 1565 O ILE A 102 -7.334 8.633 -2.865 1.00 0.79 O ATOM 1566 CB ILE A 102 -8.167 11.003 -4.883 1.00 0.74 C ATOM 1567 CG1 ILE A 102 -6.666 11.200 -4.652 1.00 0.75 C ATOM 1568 CG2 ILE A 102 -8.843 12.330 -5.189 1.00 0.80 C ATOM 1569 CD1 ILE A 102 -5.918 11.687 -5.876 1.00 0.75 C ATOM 1570 H ILE A 102 -7.645 11.249 -2.157 1.00 0.85 H ATOM 1571 HA ILE A 102 -9.898 10.313 -3.819 1.00 0.81 H ATOM 1572 HB ILE A 102 -8.307 10.357 -5.738 1.00 0.70 H ATOM 1573 HG12 ILE A 102 -6.524 11.929 -3.870 1.00 0.81 H ATOM 1574 HG13 ILE A 102 -6.229 10.261 -4.349 1.00 0.73 H ATOM 1575 HG21 ILE A 102 -8.371 12.783 -6.047 1.00 1.26 H ATOM 1576 HG22 ILE A 102 -8.748 12.986 -4.336 1.00 1.33 H ATOM 1577 HG23 ILE A 102 -9.888 12.162 -5.401 1.00 1.31 H ATOM 1578 HD11 ILE A 102 -4.866 11.769 -5.645 1.00 1.24 H ATOM 1579 HD12 ILE A 102 -6.299 12.656 -6.170 1.00 1.30 H ATOM 1580 HD13 ILE A 102 -6.057 10.986 -6.687 1.00 1.26 H ATOM 1581 N ARG A 103 -9.023 7.987 -4.208 1.00 0.74 N ATOM 1582 CA ARG A 103 -8.688 6.572 -4.124 1.00 0.75 C ATOM 1583 C ARG A 103 -7.646 6.187 -5.170 1.00 0.68 C ATOM 1584 O ARG A 103 -7.775 6.509 -6.350 1.00 0.73 O ATOM 1585 CB ARG A 103 -9.941 5.692 -4.271 1.00 0.85 C ATOM 1586 CG ARG A 103 -10.657 5.835 -5.605 1.00 0.85 C ATOM 1587 CD ARG A 103 -11.844 4.886 -5.712 1.00 1.23 C ATOM 1588 NE ARG A 103 -12.477 4.951 -7.029 1.00 1.99 N ATOM 1589 CZ ARG A 103 -13.582 4.280 -7.358 1.00 2.70 C ATOM 1590 NH1 ARG A 103 -14.162 3.474 -6.479 1.00 2.75 N1+ ATOM 1591 NH2 ARG A 103 -14.104 4.416 -8.570 1.00 3.71 N ATOM 1592 H ARG A 103 -9.778 8.272 -4.770 1.00 0.75 H ATOM 1593 HA ARG A 103 -8.261 6.404 -3.143 1.00 0.80 H ATOM 1594 HB2 ARG A 103 -9.652 4.657 -4.156 1.00 0.90 H ATOM 1595 HB3 ARG A 103 -10.637 5.949 -3.486 1.00 0.94 H ATOM 1596 HG2 ARG A 103 -11.010 6.849 -5.708 1.00 1.01 H ATOM 1597 HG3 ARG A 103 -9.961 5.616 -6.400 1.00 1.00 H ATOM 1598 HD2 ARG A 103 -11.503 3.875 -5.537 1.00 1.68 H ATOM 1599 HD3 ARG A 103 -12.574 5.153 -4.961 1.00 1.63 H ATOM 1600 HE ARG A 103 -12.055 5.531 -7.703 1.00 2.37 H ATOM 1601 HH11 ARG A 103 -13.776 3.364 -5.560 1.00 2.46 H ATOM 1602 HH12 ARG A 103 -14.993 2.968 -6.731 1.00 3.38 H ATOM 1603 HH21 ARG A 103 -13.673 5.025 -9.240 1.00 4.07 H ATOM 1604 HH22 ARG A 103 -14.932 3.905 -8.823 1.00 4.27 H ATOM 1605 N ILE A 104 -6.606 5.514 -4.711 1.00 0.65 N ATOM 1606 CA ILE A 104 -5.559 5.004 -5.585 1.00 0.62 C ATOM 1607 C ILE A 104 -5.307 3.529 -5.291 1.00 0.65 C ATOM 1608 O ILE A 104 -5.582 3.053 -4.180 1.00 0.74 O ATOM 1609 CB ILE A 104 -4.237 5.786 -5.408 1.00 0.64 C ATOM 1610 CG1 ILE A 104 -3.810 5.787 -3.938 1.00 0.70 C ATOM 1611 CG2 ILE A 104 -4.382 7.212 -5.923 1.00 0.65 C ATOM 1612 CD1 ILE A 104 -2.471 6.446 -3.689 1.00 0.83 C ATOM 1613 H ILE A 104 -6.532 5.361 -3.742 1.00 0.70 H ATOM 1614 HA ILE A 104 -5.894 5.110 -6.607 1.00 0.61 H ATOM 1615 HB ILE A 104 -3.475 5.295 -5.993 1.00 0.66 H ATOM 1616 HG12 ILE A 104 -4.548 6.318 -3.356 1.00 0.75 H ATOM 1617 HG13 ILE A 104 -3.749 4.769 -3.586 1.00 0.76 H ATOM 1618 HG21 ILE A 104 -4.629 7.193 -6.975 1.00 1.17 H ATOM 1619 HG22 ILE A 104 -3.452 7.741 -5.781 1.00 1.25 H ATOM 1620 HG23 ILE A 104 -5.168 7.711 -5.377 1.00 1.22 H ATOM 1621 HD11 ILE A 104 -1.702 5.909 -4.225 1.00 1.35 H ATOM 1622 HD12 ILE A 104 -2.253 6.430 -2.633 1.00 1.36 H ATOM 1623 HD13 ILE A 104 -2.504 7.469 -4.035 1.00 1.31 H ATOM 1624 N ASP A 105 -4.800 2.808 -6.290 1.00 0.68 N ATOM 1625 CA ASP A 105 -4.471 1.394 -6.125 1.00 0.74 C ATOM 1626 C ASP A 105 -3.330 1.237 -5.135 1.00 0.73 C ATOM 1627 O ASP A 105 -2.255 1.808 -5.309 1.00 0.82 O ATOM 1628 CB ASP A 105 -4.090 0.745 -7.462 1.00 0.91 C ATOM 1629 CG ASP A 105 -5.267 0.589 -8.399 1.00 1.11 C ATOM 1630 OD1 ASP A 105 -5.320 1.311 -9.417 1.00 1.69 O ATOM 1631 OD2 ASP A 105 -6.145 -0.256 -8.129 1.00 1.68 O1+ ATOM 1632 H ASP A 105 -4.634 3.241 -7.152 1.00 0.72 H ATOM 1633 HA ASP A 105 -5.345 0.896 -5.728 1.00 0.83 H ATOM 1634 HB2 ASP A 105 -3.346 1.359 -7.953 1.00 1.16 H ATOM 1635 HB3 ASP A 105 -3.671 -0.235 -7.270 1.00 1.16 H ATOM 1636 N THR A 106 -3.576 0.459 -4.101 1.00 0.83 N ATOM 1637 CA THR A 106 -2.646 0.331 -2.999 1.00 0.99 C ATOM 1638 C THR A 106 -1.720 -0.866 -3.196 1.00 0.91 C ATOM 1639 O THR A 106 -0.499 -0.720 -3.205 1.00 1.02 O ATOM 1640 CB THR A 106 -3.424 0.184 -1.682 1.00 1.37 C ATOM 1641 OG1 THR A 106 -4.582 1.023 -1.734 1.00 2.29 O ATOM 1642 CG2 THR A 106 -2.572 0.582 -0.490 1.00 1.35 C ATOM 1643 H THR A 106 -4.413 -0.055 -4.082 1.00 0.92 H ATOM 1644 HA THR A 106 -2.053 1.235 -2.950 1.00 1.10 H ATOM 1645 HB THR A 106 -3.731 -0.847 -1.566 1.00 2.01 H ATOM 1646 HG1 THR A 106 -4.603 1.475 -2.587 1.00 2.66 H ATOM 1647 HG21 THR A 106 -1.675 -0.018 -0.474 1.00 1.77 H ATOM 1648 HG22 THR A 106 -3.130 0.420 0.421 1.00 1.88 H ATOM 1649 HG23 THR A 106 -2.306 1.627 -0.568 1.00 1.82 H ATOM 1650 N ALA A 107 -2.310 -2.043 -3.362 1.00 0.89 N ATOM 1651 CA ALA A 107 -1.545 -3.267 -3.551 1.00 0.95 C ATOM 1652 C ALA A 107 -2.433 -4.369 -4.115 1.00 0.90 C ATOM 1653 O ALA A 107 -3.655 -4.321 -3.975 1.00 0.97 O ATOM 1654 CB ALA A 107 -0.933 -3.717 -2.232 1.00 1.14 C ATOM 1655 H ALA A 107 -3.289 -2.093 -3.357 1.00 0.94 H ATOM 1656 HA ALA A 107 -0.745 -3.063 -4.246 1.00 1.06 H ATOM 1657 HB1 ALA A 107 -0.336 -4.601 -2.396 1.00 1.47 H ATOM 1658 HB2 ALA A 107 -1.721 -3.941 -1.529 1.00 1.64 H ATOM 1659 HB3 ALA A 107 -0.311 -2.929 -1.836 1.00 1.60 H ATOM 1660 N CYS A 108 -1.819 -5.356 -4.747 1.00 0.94 N ATOM 1661 CA CYS A 108 -2.560 -6.491 -5.272 1.00 0.98 C ATOM 1662 C CYS A 108 -2.516 -7.641 -4.274 1.00 0.94 C ATOM 1663 O CYS A 108 -1.443 -8.136 -3.928 1.00 1.05 O ATOM 1664 CB CYS A 108 -1.999 -6.941 -6.627 1.00 1.20 C ATOM 1665 SG CYS A 108 -2.881 -8.370 -7.334 1.00 1.56 S ATOM 1666 H CYS A 108 -0.844 -5.330 -4.847 1.00 1.02 H ATOM 1667 HA CYS A 108 -3.587 -6.183 -5.399 1.00 1.00 H ATOM 1668 HB2 CYS A 108 -2.072 -6.125 -7.335 1.00 1.36 H ATOM 1669 HB3 CYS A 108 -0.959 -7.220 -6.509 1.00 1.59 H ATOM 1670 N VAL A 109 -3.685 -8.048 -3.805 1.00 0.88 N ATOM 1671 CA VAL A 109 -3.787 -9.074 -2.783 1.00 0.89 C ATOM 1672 C VAL A 109 -4.320 -10.376 -3.371 1.00 0.90 C ATOM 1673 O VAL A 109 -5.051 -10.369 -4.361 1.00 1.00 O ATOM 1674 CB VAL A 109 -4.710 -8.623 -1.625 1.00 0.99 C ATOM 1675 CG1 VAL A 109 -4.226 -7.307 -1.034 1.00 1.04 C ATOM 1676 CG2 VAL A 109 -6.157 -8.496 -2.090 1.00 1.07 C ATOM 1677 H VAL A 109 -4.509 -7.653 -4.167 1.00 0.91 H ATOM 1678 HA VAL A 109 -2.797 -9.247 -2.383 1.00 0.94 H ATOM 1679 HB VAL A 109 -4.671 -9.373 -0.848 1.00 1.07 H ATOM 1680 HG11 VAL A 109 -3.226 -7.432 -0.647 1.00 1.44 H ATOM 1681 HG12 VAL A 109 -4.888 -7.007 -0.236 1.00 1.46 H ATOM 1682 HG13 VAL A 109 -4.224 -6.548 -1.802 1.00 1.50 H ATOM 1683 HG21 VAL A 109 -6.505 -9.456 -2.449 1.00 1.49 H ATOM 1684 HG22 VAL A 109 -6.217 -7.771 -2.887 1.00 1.50 H ATOM 1685 HG23 VAL A 109 -6.772 -8.176 -1.263 1.00 1.52 H ATOM 1686 N CYS A 110 -3.941 -11.489 -2.760 1.00 0.90 N ATOM 1687 CA CYS A 110 -4.443 -12.791 -3.164 1.00 0.95 C ATOM 1688 C CYS A 110 -5.639 -13.171 -2.297 1.00 0.96 C ATOM 1689 O CYS A 110 -5.491 -13.413 -1.097 1.00 0.96 O ATOM 1690 CB CYS A 110 -3.342 -13.856 -3.049 1.00 0.99 C ATOM 1691 SG CYS A 110 -3.913 -15.555 -3.377 1.00 1.45 S ATOM 1692 H CYS A 110 -3.315 -11.431 -2.010 1.00 0.92 H ATOM 1693 HA CYS A 110 -4.764 -12.723 -4.193 1.00 1.04 H ATOM 1694 HB2 CYS A 110 -2.559 -13.634 -3.756 1.00 1.18 H ATOM 1695 HB3 CYS A 110 -2.930 -13.835 -2.052 1.00 1.28 H ATOM 1696 N VAL A 111 -6.823 -13.186 -2.894 1.00 1.08 N ATOM 1697 CA VAL A 111 -8.033 -13.539 -2.162 1.00 1.19 C ATOM 1698 C VAL A 111 -8.332 -15.024 -2.324 1.00 1.23 C ATOM 1699 O VAL A 111 -7.938 -15.633 -3.321 1.00 1.28 O ATOM 1700 CB VAL A 111 -9.252 -12.711 -2.632 1.00 1.39 C ATOM 1701 CG1 VAL A 111 -8.950 -11.223 -2.554 1.00 1.40 C ATOM 1702 CG2 VAL A 111 -9.681 -13.100 -4.038 1.00 1.52 C ATOM 1703 H VAL A 111 -6.887 -12.956 -3.850 1.00 1.16 H ATOM 1704 HA VAL A 111 -7.860 -13.329 -1.115 1.00 1.18 H ATOM 1705 HB VAL A 111 -10.074 -12.918 -1.966 1.00 1.49 H ATOM 1706 HG11 VAL A 111 -8.828 -10.934 -1.520 1.00 1.79 H ATOM 1707 HG12 VAL A 111 -9.766 -10.670 -2.990 1.00 1.75 H ATOM 1708 HG13 VAL A 111 -8.040 -11.011 -3.096 1.00 1.69 H ATOM 1709 HG21 VAL A 111 -10.557 -12.534 -4.318 1.00 1.83 H ATOM 1710 HG22 VAL A 111 -9.908 -14.156 -4.066 1.00 2.00 H ATOM 1711 HG23 VAL A 111 -8.879 -12.888 -4.729 1.00 1.75 H ATOM 1712 N LEU A 112 -9.020 -15.608 -1.351 1.00 1.27 N ATOM 1713 CA LEU A 112 -9.324 -17.030 -1.397 1.00 1.35 C ATOM 1714 C LEU A 112 -10.810 -17.292 -1.202 1.00 1.56 C ATOM 1715 O LEU A 112 -11.467 -16.665 -0.369 1.00 1.67 O ATOM 1716 CB LEU A 112 -8.532 -17.797 -0.329 1.00 1.35 C ATOM 1717 CG LEU A 112 -7.011 -17.804 -0.506 1.00 1.24 C ATOM 1718 CD1 LEU A 112 -6.358 -18.676 0.554 1.00 1.41 C ATOM 1719 CD2 LEU A 112 -6.634 -18.287 -1.896 1.00 1.22 C ATOM 1720 H LEU A 112 -9.336 -15.074 -0.593 1.00 1.31 H ATOM 1721 HA LEU A 112 -9.038 -17.395 -2.373 1.00 1.33 H ATOM 1722 HB2 LEU A 112 -8.758 -17.360 0.634 1.00 1.45 H ATOM 1723 HB3 LEU A 112 -8.876 -18.821 -0.325 1.00 1.44 H ATOM 1724 HG LEU A 112 -6.635 -16.796 -0.387 1.00 1.18 H ATOM 1725 HD11 LEU A 112 -6.757 -19.680 0.494 1.00 1.86 H ATOM 1726 HD12 LEU A 112 -6.556 -18.266 1.531 1.00 1.73 H ATOM 1727 HD13 LEU A 112 -5.292 -18.705 0.384 1.00 1.73 H ATOM 1728 HD21 LEU A 112 -7.081 -19.253 -2.076 1.00 1.60 H ATOM 1729 HD22 LEU A 112 -5.559 -18.370 -1.965 1.00 1.62 H ATOM 1730 HD23 LEU A 112 -6.987 -17.581 -2.631 1.00 1.56 H ATOM 1731 N SER A 113 -11.320 -18.229 -1.978 1.00 1.69 N ATOM 1732 CA SER A 113 -12.672 -18.726 -1.818 1.00 1.94 C ATOM 1733 C SER A 113 -12.618 -20.247 -1.708 1.00 2.01 C ATOM 1734 O SER A 113 -11.801 -20.883 -2.370 1.00 2.20 O ATOM 1735 CB SER A 113 -13.540 -18.281 -2.999 1.00 2.20 C ATOM 1736 OG SER A 113 -12.888 -18.519 -4.239 1.00 2.62 O ATOM 1737 H SER A 113 -10.761 -18.604 -2.696 1.00 1.65 H ATOM 1738 HA SER A 113 -13.072 -18.319 -0.901 1.00 2.13 H ATOM 1739 HB2 SER A 113 -14.470 -18.829 -2.987 1.00 2.54 H ATOM 1740 HB3 SER A 113 -13.745 -17.224 -2.914 1.00 2.50 H ATOM 1741 HG SER A 113 -11.972 -18.221 -4.179 1.00 3.01 H ATOM 1742 N ARG A 114 -13.467 -20.827 -0.869 1.00 2.21 N ATOM 1743 CA ARG A 114 -13.388 -22.260 -0.581 1.00 2.43 C ATOM 1744 C ARG A 114 -14.072 -23.099 -1.662 1.00 2.31 C ATOM 1745 O ARG A 114 -14.221 -24.313 -1.514 1.00 2.57 O ATOM 1746 CB ARG A 114 -13.945 -22.571 0.822 1.00 3.05 C ATOM 1747 CG ARG A 114 -15.388 -22.143 1.067 1.00 3.63 C ATOM 1748 CD ARG A 114 -16.379 -23.169 0.545 1.00 4.27 C ATOM 1749 NE ARG A 114 -17.759 -22.813 0.861 1.00 5.02 N ATOM 1750 CZ ARG A 114 -18.816 -23.541 0.500 1.00 5.89 C ATOM 1751 NH1 ARG A 114 -18.646 -24.669 -0.178 1.00 6.19 N1+ ATOM 1752 NH2 ARG A 114 -20.040 -23.145 0.822 1.00 6.73 N ATOM 1753 H ARG A 114 -14.162 -20.285 -0.437 1.00 2.44 H ATOM 1754 HA ARG A 114 -12.339 -22.519 -0.587 1.00 2.68 H ATOM 1755 HB2 ARG A 114 -13.886 -23.637 0.986 1.00 3.49 H ATOM 1756 HB3 ARG A 114 -13.321 -22.078 1.554 1.00 3.13 H ATOM 1757 HG2 ARG A 114 -15.542 -22.020 2.130 1.00 3.94 H ATOM 1758 HG3 ARG A 114 -15.561 -21.201 0.567 1.00 3.82 H ATOM 1759 HD2 ARG A 114 -16.271 -23.237 -0.528 1.00 4.45 H ATOM 1760 HD3 ARG A 114 -16.152 -24.127 0.990 1.00 4.52 H ATOM 1761 HE ARG A 114 -17.907 -21.980 1.367 1.00 5.12 H ATOM 1762 HH11 ARG A 114 -17.720 -24.976 -0.423 1.00 5.80 H ATOM 1763 HH12 ARG A 114 -19.439 -25.221 -0.449 1.00 7.00 H ATOM 1764 HH21 ARG A 114 -20.174 -22.299 1.340 1.00 6.79 H ATOM 1765 HH22 ARG A 114 -20.839 -23.686 0.540 1.00 7.46 H ATOM 2001 N PHE B 12 -10.816 -10.595 1.308 1.00 2.45 N ATOM 2002 CA PHE B 12 -10.208 -11.820 1.807 1.00 2.25 C ATOM 2003 C PHE B 12 -8.703 -11.631 1.910 1.00 1.95 C ATOM 2004 O PHE B 12 -8.113 -10.886 1.128 1.00 2.28 O ATOM 2005 CB PHE B 12 -10.526 -13.013 0.901 1.00 2.41 C ATOM 2006 CG PHE B 12 -11.985 -13.370 0.856 1.00 2.79 C ATOM 2007 CD1 PHE B 12 -12.707 -13.249 -0.319 1.00 3.08 C ATOM 2008 CD2 PHE B 12 -12.632 -13.831 1.991 1.00 3.13 C ATOM 2009 CE1 PHE B 12 -14.046 -13.581 -0.361 1.00 3.47 C ATOM 2010 CE2 PHE B 12 -13.972 -14.163 1.955 1.00 3.56 C ATOM 2011 CZ PHE B 12 -14.681 -14.039 0.778 1.00 3.65 C ATOM 2012 H PHE B 12 -10.921 -10.468 0.344 1.00 2.53 H ATOM 2013 HA PHE B 12 -10.605 -12.007 2.795 1.00 2.41 H ATOM 2014 HB2 PHE B 12 -10.211 -12.785 -0.104 1.00 2.45 H ATOM 2015 HB3 PHE B 12 -9.984 -13.879 1.254 1.00 2.40 H ATOM 2016 HD1 PHE B 12 -12.214 -12.893 -1.211 1.00 3.15 H ATOM 2017 HD2 PHE B 12 -12.079 -13.929 2.913 1.00 3.21 H ATOM 2018 HE1 PHE B 12 -14.598 -13.482 -1.284 1.00 3.79 H ATOM 2019 HE2 PHE B 12 -14.466 -14.520 2.848 1.00 3.96 H ATOM 2020 HZ PHE B 12 -15.728 -14.298 0.746 1.00 4.01 H ATOM 2021 N SER B 13 -8.081 -12.286 2.874 1.00 1.75 N ATOM 2022 CA SER B 13 -6.659 -12.112 3.097 1.00 1.60 C ATOM 2023 C SER B 13 -5.989 -13.443 3.427 1.00 1.44 C ATOM 2024 O SER B 13 -6.464 -14.192 4.278 1.00 1.57 O ATOM 2025 CB SER B 13 -6.442 -11.106 4.232 1.00 1.90 C ATOM 2026 OG SER B 13 -7.064 -9.865 3.931 1.00 2.42 O ATOM 2027 H SER B 13 -8.587 -12.897 3.452 1.00 2.00 H ATOM 2028 HA SER B 13 -6.229 -11.716 2.190 1.00 1.60 H ATOM 2029 HB2 SER B 13 -6.869 -11.495 5.142 1.00 2.46 H ATOM 2030 HB3 SER B 13 -5.386 -10.942 4.375 1.00 1.95 H ATOM 2031 HG SER B 13 -7.362 -9.874 3.014 1.00 2.58 H ATOM 2032 N VAL B 14 -4.900 -13.747 2.724 1.00 1.29 N ATOM 2033 CA VAL B 14 -4.098 -14.934 3.022 1.00 1.26 C ATOM 2034 C VAL B 14 -3.271 -14.718 4.286 1.00 1.26 C ATOM 2035 O VAL B 14 -2.782 -15.669 4.898 1.00 1.41 O ATOM 2036 CB VAL B 14 -3.152 -15.300 1.854 1.00 1.26 C ATOM 2037 CG1 VAL B 14 -3.949 -15.743 0.641 1.00 1.39 C ATOM 2038 CG2 VAL B 14 -2.249 -14.128 1.494 1.00 1.25 C ATOM 2039 H VAL B 14 -4.638 -13.169 1.975 1.00 1.30 H ATOM 2040 HA VAL B 14 -4.777 -15.761 3.184 1.00 1.38 H ATOM 2041 HB VAL B 14 -2.529 -16.123 2.168 1.00 1.33 H ATOM 2042 HG11 VAL B 14 -3.270 -15.997 -0.160 1.00 1.71 H ATOM 2043 HG12 VAL B 14 -4.596 -14.940 0.324 1.00 1.71 H ATOM 2044 HG13 VAL B 14 -4.544 -16.606 0.896 1.00 1.81 H ATOM 2045 HG21 VAL B 14 -2.849 -13.305 1.137 1.00 1.67 H ATOM 2046 HG22 VAL B 14 -1.558 -14.430 0.721 1.00 1.50 H ATOM 2047 HG23 VAL B 14 -1.696 -13.818 2.368 1.00 1.68 H ATOM 2048 N CYS B 15 -3.117 -13.454 4.656 1.00 1.23 N ATOM 2049 CA CYS B 15 -2.407 -13.073 5.866 1.00 1.33 C ATOM 2050 C CYS B 15 -3.284 -12.157 6.706 1.00 1.39 C ATOM 2051 O CYS B 15 -3.886 -11.218 6.182 1.00 1.49 O ATOM 2052 CB CYS B 15 -1.105 -12.350 5.509 1.00 1.35 C ATOM 2053 SG CYS B 15 0.031 -13.324 4.473 1.00 1.75 S ATOM 2054 H CYS B 15 -3.494 -12.751 4.095 1.00 1.22 H ATOM 2055 HA CYS B 15 -2.182 -13.968 6.426 1.00 1.46 H ATOM 2056 HB2 CYS B 15 -1.341 -11.443 4.971 1.00 1.72 H ATOM 2057 HB3 CYS B 15 -0.582 -12.097 6.422 1.00 1.63 H ATOM 2058 N ASP B 16 -3.370 -12.438 8.001 1.00 1.53 N ATOM 2059 CA ASP B 16 -4.169 -11.616 8.907 1.00 1.63 C ATOM 2060 C ASP B 16 -3.554 -10.233 9.040 1.00 1.55 C ATOM 2061 O ASP B 16 -2.441 -10.082 9.549 1.00 1.56 O ATOM 2062 CB ASP B 16 -4.286 -12.271 10.290 1.00 1.87 C ATOM 2063 CG ASP B 16 -5.031 -13.590 10.248 1.00 2.23 C ATOM 2064 OD1 ASP B 16 -6.275 -13.573 10.133 1.00 2.54 O ATOM 2065 OD2 ASP B 16 -4.377 -14.650 10.330 1.00 2.87 O1+ ATOM 2066 H ASP B 16 -2.885 -13.213 8.355 1.00 1.68 H ATOM 2067 HA ASP B 16 -5.157 -11.519 8.477 1.00 1.64 H ATOM 2068 HB2 ASP B 16 -3.297 -12.450 10.683 1.00 2.18 H ATOM 2069 HB3 ASP B 16 -4.815 -11.602 10.954 1.00 1.93 H ATOM 2070 N SER B 17 -4.281 -9.226 8.588 1.00 1.51 N ATOM 2071 CA SER B 17 -3.763 -7.870 8.556 1.00 1.43 C ATOM 2072 C SER B 17 -4.681 -6.897 9.289 1.00 1.42 C ATOM 2073 O SER B 17 -5.883 -7.134 9.424 1.00 1.52 O ATOM 2074 CB SER B 17 -3.559 -7.434 7.103 1.00 1.42 C ATOM 2075 OG SER B 17 -4.662 -7.818 6.299 1.00 1.72 O ATOM 2076 H SER B 17 -5.193 -9.396 8.267 1.00 1.56 H ATOM 2077 HA SER B 17 -2.807 -7.876 9.054 1.00 1.44 H ATOM 2078 HB2 SER B 17 -3.457 -6.357 7.061 1.00 1.72 H ATOM 2079 HB3 SER B 17 -2.665 -7.898 6.711 1.00 1.57 H ATOM 2080 HG SER B 17 -4.697 -8.779 6.243 1.00 1.91 H ATOM 2081 N VAL B 18 -4.095 -5.811 9.768 1.00 1.34 N ATOM 2082 CA VAL B 18 -4.829 -4.779 10.474 1.00 1.35 C ATOM 2083 C VAL B 18 -4.649 -3.431 9.774 1.00 1.21 C ATOM 2084 O VAL B 18 -3.539 -2.912 9.679 1.00 1.13 O ATOM 2085 CB VAL B 18 -4.377 -4.684 11.951 1.00 1.46 C ATOM 2086 CG1 VAL B 18 -2.868 -4.533 12.059 1.00 1.43 C ATOM 2087 CG2 VAL B 18 -5.082 -3.541 12.662 1.00 1.51 C ATOM 2088 H VAL B 18 -3.127 -5.695 9.637 1.00 1.30 H ATOM 2089 HA VAL B 18 -5.874 -5.048 10.456 1.00 1.44 H ATOM 2090 HB VAL B 18 -4.654 -5.603 12.443 1.00 1.57 H ATOM 2091 HG11 VAL B 18 -2.555 -3.650 11.522 1.00 1.78 H ATOM 2092 HG12 VAL B 18 -2.390 -5.403 11.633 1.00 1.78 H ATOM 2093 HG13 VAL B 18 -2.589 -4.442 13.097 1.00 1.72 H ATOM 2094 HG21 VAL B 18 -4.888 -2.617 12.139 1.00 1.82 H ATOM 2095 HG22 VAL B 18 -4.714 -3.466 13.674 1.00 1.79 H ATOM 2096 HG23 VAL B 18 -6.144 -3.728 12.679 1.00 1.88 H ATOM 2097 N SER B 19 -5.737 -2.886 9.258 1.00 1.23 N ATOM 2098 CA SER B 19 -5.693 -1.604 8.576 1.00 1.15 C ATOM 2099 C SER B 19 -6.250 -0.517 9.488 1.00 1.11 C ATOM 2100 O SER B 19 -7.422 -0.553 9.870 1.00 1.20 O ATOM 2101 CB SER B 19 -6.485 -1.668 7.264 1.00 1.28 C ATOM 2102 OG SER B 19 -6.247 -0.524 6.461 1.00 1.66 O ATOM 2103 H SER B 19 -6.594 -3.354 9.346 1.00 1.34 H ATOM 2104 HA SER B 19 -4.659 -1.379 8.358 1.00 1.07 H ATOM 2105 HB2 SER B 19 -6.188 -2.544 6.708 1.00 1.63 H ATOM 2106 HB3 SER B 19 -7.541 -1.723 7.486 1.00 1.54 H ATOM 2107 HG SER B 19 -5.331 -0.541 6.147 1.00 1.95 H ATOM 2108 N VAL B 20 -5.406 0.437 9.846 1.00 1.01 N ATOM 2109 CA VAL B 20 -5.795 1.489 10.770 1.00 0.99 C ATOM 2110 C VAL B 20 -5.689 2.854 10.113 1.00 0.95 C ATOM 2111 O VAL B 20 -4.740 3.126 9.387 1.00 0.91 O ATOM 2112 CB VAL B 20 -4.901 1.480 12.029 1.00 0.95 C ATOM 2113 CG1 VAL B 20 -5.315 2.567 13.006 1.00 0.98 C ATOM 2114 CG2 VAL B 20 -4.927 0.117 12.695 1.00 1.03 C ATOM 2115 H VAL B 20 -4.490 0.433 9.484 1.00 0.98 H ATOM 2116 HA VAL B 20 -6.815 1.316 11.072 1.00 1.08 H ATOM 2117 HB VAL B 20 -3.888 1.683 11.722 1.00 0.89 H ATOM 2118 HG11 VAL B 20 -5.167 3.535 12.546 1.00 1.54 H ATOM 2119 HG12 VAL B 20 -4.713 2.497 13.899 1.00 1.34 H ATOM 2120 HG13 VAL B 20 -6.356 2.447 13.260 1.00 1.37 H ATOM 2121 HG21 VAL B 20 -4.549 -0.624 12.005 1.00 1.48 H ATOM 2122 HG22 VAL B 20 -5.942 -0.132 12.970 1.00 1.55 H ATOM 2123 HG23 VAL B 20 -4.306 0.135 13.578 1.00 1.35 H ATOM 2124 N TRP B 21 -6.670 3.702 10.362 1.00 1.02 N ATOM 2125 CA TRP B 21 -6.590 5.087 9.948 1.00 1.01 C ATOM 2126 C TRP B 21 -6.228 5.934 11.158 1.00 0.96 C ATOM 2127 O TRP B 21 -7.091 6.325 11.944 1.00 1.02 O ATOM 2128 CB TRP B 21 -7.914 5.552 9.331 1.00 1.15 C ATOM 2129 CG TRP B 21 -8.224 4.890 8.020 1.00 1.22 C ATOM 2130 CD1 TRP B 21 -8.833 3.681 7.837 1.00 1.45 C ATOM 2131 CD2 TRP B 21 -7.944 5.400 6.707 1.00 1.24 C ATOM 2132 NE1 TRP B 21 -8.947 3.408 6.494 1.00 1.61 N ATOM 2133 CE2 TRP B 21 -8.410 4.447 5.782 1.00 1.44 C ATOM 2134 CE3 TRP B 21 -7.345 6.569 6.224 1.00 1.26 C ATOM 2135 CZ2 TRP B 21 -8.296 4.627 4.404 1.00 1.54 C ATOM 2136 CZ3 TRP B 21 -7.233 6.747 4.857 1.00 1.35 C ATOM 2137 CH2 TRP B 21 -7.707 5.780 3.961 1.00 1.44 C ATOM 2138 H TRP B 21 -7.459 3.390 10.852 1.00 1.11 H ATOM 2139 HA TRP B 21 -5.802 5.171 9.213 1.00 0.98 H ATOM 2140 HB2 TRP B 21 -8.720 5.332 10.016 1.00 1.19 H ATOM 2141 HB3 TRP B 21 -7.871 6.618 9.168 1.00 1.29 H ATOM 2142 HD1 TRP B 21 -9.171 3.040 8.639 1.00 1.57 H ATOM 2143 HE1 TRP B 21 -9.349 2.597 6.110 1.00 1.86 H ATOM 2144 HE3 TRP B 21 -6.972 7.326 6.898 1.00 1.31 H ATOM 2145 HZ2 TRP B 21 -8.657 3.891 3.698 1.00 1.76 H ATOM 2146 HZ3 TRP B 21 -6.774 7.644 4.465 1.00 1.46 H ATOM 2147 HH2 TRP B 21 -7.598 5.962 2.901 1.00 1.54 H ATOM 2148 N VAL B 22 -4.942 6.196 11.298 1.00 0.88 N ATOM 2149 CA VAL B 22 -4.409 6.867 12.468 1.00 0.86 C ATOM 2150 C VAL B 22 -4.621 8.373 12.368 1.00 0.93 C ATOM 2151 O VAL B 22 -4.012 9.040 11.532 1.00 0.96 O ATOM 2152 CB VAL B 22 -2.902 6.573 12.634 1.00 0.81 C ATOM 2153 CG1 VAL B 22 -2.361 7.194 13.909 1.00 0.85 C ATOM 2154 CG2 VAL B 22 -2.640 5.074 12.619 1.00 0.81 C ATOM 2155 H VAL B 22 -4.322 5.928 10.582 1.00 0.85 H ATOM 2156 HA VAL B 22 -4.930 6.493 13.337 1.00 0.90 H ATOM 2157 HB VAL B 22 -2.379 7.012 11.799 1.00 0.82 H ATOM 2158 HG11 VAL B 22 -2.455 8.269 13.852 1.00 1.41 H ATOM 2159 HG12 VAL B 22 -1.321 6.930 14.025 1.00 1.25 H ATOM 2160 HG13 VAL B 22 -2.923 6.828 14.754 1.00 1.33 H ATOM 2161 HG21 VAL B 22 -3.163 4.608 13.441 1.00 1.38 H ATOM 2162 HG22 VAL B 22 -1.580 4.893 12.717 1.00 1.27 H ATOM 2163 HG23 VAL B 22 -2.991 4.656 11.686 1.00 1.27 H ATOM 2164 N GLY B 23 -5.491 8.900 13.215 1.00 1.04 N ATOM 2165 CA GLY B 23 -5.757 10.322 13.211 1.00 1.18 C ATOM 2166 C GLY B 23 -4.875 11.075 14.183 1.00 1.12 C ATOM 2167 O GLY B 23 -5.100 12.258 14.445 1.00 1.27 O ATOM 2168 H GLY B 23 -5.965 8.314 13.848 1.00 1.08 H ATOM 2169 HA2 GLY B 23 -5.584 10.706 12.214 1.00 1.29 H ATOM 2170 HA3 GLY B 23 -6.792 10.486 13.478 1.00 1.36 H ATOM 2171 N ASP B 24 -3.868 10.394 14.717 1.00 1.12 N ATOM 2172 CA ASP B 24 -2.950 11.008 15.668 1.00 1.29 C ATOM 2173 C ASP B 24 -1.610 10.273 15.678 1.00 1.10 C ATOM 2174 O ASP B 24 -1.192 9.725 16.696 1.00 1.30 O ATOM 2175 CB ASP B 24 -3.569 11.015 17.071 1.00 1.66 C ATOM 2176 CG ASP B 24 -2.768 11.831 18.065 1.00 2.34 C ATOM 2177 OD1 ASP B 24 -2.345 11.275 19.101 1.00 3.01 O ATOM 2178 OD2 ASP B 24 -2.576 13.041 17.828 1.00 2.89 O1+ ATOM 2179 H ASP B 24 -3.742 9.455 14.471 1.00 1.15 H ATOM 2180 HA ASP B 24 -2.782 12.028 15.353 1.00 1.50 H ATOM 2181 HB2 ASP B 24 -4.566 11.430 17.015 1.00 1.99 H ATOM 2182 HB3 ASP B 24 -3.627 9.996 17.434 1.00 1.92 H ATOM 2183 N LYS B 25 -0.949 10.235 14.526 1.00 0.92 N ATOM 2184 CA LYS B 25 0.384 9.658 14.436 1.00 0.84 C ATOM 2185 C LYS B 25 1.401 10.689 14.911 1.00 0.91 C ATOM 2186 O LYS B 25 1.372 11.828 14.464 1.00 1.32 O ATOM 2187 CB LYS B 25 0.681 9.231 12.995 1.00 0.83 C ATOM 2188 CG LYS B 25 1.955 8.415 12.850 1.00 0.78 C ATOM 2189 CD LYS B 25 2.119 7.876 11.439 1.00 0.92 C ATOM 2190 CE LYS B 25 3.285 6.896 11.345 1.00 1.01 C ATOM 2191 NZ LYS B 25 3.057 5.676 12.165 1.00 1.09 N1+ ATOM 2192 H LYS B 25 -1.369 10.603 13.721 1.00 1.01 H ATOM 2193 HA LYS B 25 0.423 8.795 15.086 1.00 0.91 H ATOM 2194 HB2 LYS B 25 -0.146 8.641 12.632 1.00 1.04 H ATOM 2195 HB3 LYS B 25 0.776 10.117 12.385 1.00 1.06 H ATOM 2196 HG2 LYS B 25 2.800 9.047 13.079 1.00 1.00 H ATOM 2197 HG3 LYS B 25 1.923 7.588 13.542 1.00 0.98 H ATOM 2198 HD2 LYS B 25 1.211 7.370 11.149 1.00 1.20 H ATOM 2199 HD3 LYS B 25 2.300 8.706 10.770 1.00 1.18 H ATOM 2200 HE2 LYS B 25 3.415 6.604 10.311 1.00 1.57 H ATOM 2201 HE3 LYS B 25 4.180 7.391 11.693 1.00 1.51 H ATOM 2202 HZ1 LYS B 25 2.902 5.933 13.160 1.00 1.57 H ATOM 2203 HZ2 LYS B 25 3.881 5.046 12.105 1.00 1.64 H ATOM 2204 HZ3 LYS B 25 2.217 5.159 11.818 1.00 1.56 H ATOM 2205 N THR B 26 2.289 10.296 15.814 1.00 0.85 N ATOM 2206 CA THR B 26 3.164 11.258 16.468 1.00 0.96 C ATOM 2207 C THR B 26 4.573 11.274 15.872 1.00 0.88 C ATOM 2208 O THR B 26 5.228 12.312 15.865 1.00 0.92 O ATOM 2209 CB THR B 26 3.236 11.015 17.996 1.00 1.20 C ATOM 2210 OG1 THR B 26 4.043 12.020 18.626 1.00 1.82 O ATOM 2211 CG2 THR B 26 3.798 9.639 18.322 1.00 1.40 C ATOM 2212 H THR B 26 2.364 9.344 16.038 1.00 0.99 H ATOM 2213 HA THR B 26 2.730 12.235 16.315 1.00 1.03 H ATOM 2214 HB THR B 26 2.232 11.077 18.396 1.00 1.48 H ATOM 2215 HG1 THR B 26 4.511 12.527 17.950 1.00 2.11 H ATOM 2216 HG21 THR B 26 3.887 9.531 19.394 1.00 1.83 H ATOM 2217 HG22 THR B 26 4.771 9.528 17.868 1.00 1.82 H ATOM 2218 HG23 THR B 26 3.134 8.878 17.941 1.00 1.87 H ATOM 2219 N THR B 27 5.040 10.143 15.368 1.00 0.83 N ATOM 2220 CA THR B 27 6.378 10.068 14.795 1.00 0.80 C ATOM 2221 C THR B 27 6.430 9.098 13.627 1.00 0.75 C ATOM 2222 O THR B 27 5.717 8.094 13.608 1.00 0.77 O ATOM 2223 CB THR B 27 7.428 9.658 15.848 1.00 0.91 C ATOM 2224 OG1 THR B 27 6.846 8.766 16.808 1.00 0.99 O ATOM 2225 CG2 THR B 27 8.003 10.876 16.558 1.00 1.00 C ATOM 2226 H THR B 27 4.479 9.340 15.378 1.00 0.85 H ATOM 2227 HA THR B 27 6.637 11.052 14.435 1.00 0.81 H ATOM 2228 HB THR B 27 8.233 9.146 15.341 1.00 0.92 H ATOM 2229 HG1 THR B 27 6.918 9.157 17.689 1.00 1.26 H ATOM 2230 HG21 THR B 27 8.518 11.498 15.842 1.00 1.43 H ATOM 2231 HG22 THR B 27 8.695 10.552 17.320 1.00 1.37 H ATOM 2232 HG23 THR B 27 7.200 11.437 17.013 1.00 1.53 H ATOM 2233 N ALA B 28 7.258 9.421 12.642 1.00 0.73 N ATOM 2234 CA ALA B 28 7.443 8.562 11.484 1.00 0.72 C ATOM 2235 C ALA B 28 8.833 8.745 10.899 1.00 0.75 C ATOM 2236 O ALA B 28 9.549 9.686 11.256 1.00 0.79 O ATOM 2237 CB ALA B 28 6.391 8.855 10.430 1.00 0.71 C ATOM 2238 H ALA B 28 7.758 10.272 12.695 1.00 0.75 H ATOM 2239 HA ALA B 28 7.326 7.537 11.805 1.00 0.76 H ATOM 2240 HB1 ALA B 28 6.536 9.855 10.045 1.00 1.18 H ATOM 2241 HB2 ALA B 28 5.408 8.783 10.872 1.00 1.22 H ATOM 2242 HB3 ALA B 28 6.478 8.142 9.624 1.00 1.29 H ATOM 2243 N THR B 29 9.210 7.843 10.009 1.00 0.79 N ATOM 2244 CA THR B 29 10.497 7.918 9.351 1.00 0.84 C ATOM 2245 C THR B 29 10.353 8.521 7.957 1.00 0.84 C ATOM 2246 O THR B 29 9.636 7.989 7.104 1.00 0.84 O ATOM 2247 CB THR B 29 11.159 6.533 9.240 1.00 0.93 C ATOM 2248 OG1 THR B 29 11.192 5.893 10.525 1.00 0.99 O ATOM 2249 CG2 THR B 29 12.579 6.653 8.701 1.00 1.01 C ATOM 2250 H THR B 29 8.602 7.107 9.783 1.00 0.80 H ATOM 2251 HA THR B 29 11.138 8.556 9.942 1.00 0.88 H ATOM 2252 HB THR B 29 10.583 5.927 8.558 1.00 0.94 H ATOM 2253 HG1 THR B 29 10.592 6.354 11.128 1.00 1.09 H ATOM 2254 HG21 THR B 29 12.556 7.128 7.731 1.00 1.46 H ATOM 2255 HG22 THR B 29 13.016 5.670 8.610 1.00 1.52 H ATOM 2256 HG23 THR B 29 13.172 7.250 9.381 1.00 1.36 H ATOM 2257 N ASP B 30 11.030 9.638 7.750 1.00 0.89 N ATOM 2258 CA ASP B 30 11.054 10.323 6.465 1.00 0.96 C ATOM 2259 C ASP B 30 11.829 9.491 5.442 1.00 1.00 C ATOM 2260 O ASP B 30 12.637 8.635 5.811 1.00 1.12 O ATOM 2261 CB ASP B 30 11.708 11.701 6.645 1.00 1.07 C ATOM 2262 CG ASP B 30 11.882 12.460 5.346 1.00 1.21 C ATOM 2263 OD1 ASP B 30 10.937 13.139 4.905 1.00 1.58 O ATOM 2264 OD2 ASP B 30 12.985 12.405 4.775 1.00 1.84 O1+ ATOM 2265 H ASP B 30 11.550 10.015 8.498 1.00 0.92 H ATOM 2266 HA ASP B 30 10.035 10.448 6.126 1.00 0.96 H ATOM 2267 HB2 ASP B 30 11.096 12.300 7.305 1.00 1.18 H ATOM 2268 HB3 ASP B 30 12.685 11.567 7.092 1.00 1.22 H ATOM 2269 N ILE B 31 11.574 9.751 4.163 1.00 1.01 N ATOM 2270 CA ILE B 31 12.180 8.999 3.064 1.00 1.08 C ATOM 2271 C ILE B 31 13.707 9.127 3.056 1.00 1.14 C ATOM 2272 O ILE B 31 14.407 8.291 2.483 1.00 1.22 O ATOM 2273 CB ILE B 31 11.604 9.468 1.700 1.00 1.14 C ATOM 2274 CG1 ILE B 31 12.132 8.603 0.548 1.00 1.24 C ATOM 2275 CG2 ILE B 31 11.937 10.936 1.456 1.00 1.18 C ATOM 2276 CD1 ILE B 31 11.528 8.945 -0.797 1.00 1.33 C ATOM 2277 H ILE B 31 10.948 10.478 3.948 1.00 1.04 H ATOM 2278 HA ILE B 31 11.921 7.958 3.197 1.00 1.07 H ATOM 2279 HB ILE B 31 10.527 9.377 1.743 1.00 1.13 H ATOM 2280 HG12 ILE B 31 13.202 8.733 0.473 1.00 1.28 H ATOM 2281 HG13 ILE B 31 11.914 7.566 0.757 1.00 1.25 H ATOM 2282 HG21 ILE B 31 11.534 11.244 0.503 1.00 1.56 H ATOM 2283 HG22 ILE B 31 13.009 11.066 1.452 1.00 1.54 H ATOM 2284 HG23 ILE B 31 11.505 11.538 2.241 1.00 1.57 H ATOM 2285 HD11 ILE B 31 11.760 9.970 -1.045 1.00 1.74 H ATOM 2286 HD12 ILE B 31 10.456 8.820 -0.755 1.00 1.61 H ATOM 2287 HD13 ILE B 31 11.937 8.291 -1.553 1.00 1.72 H ATOM 2288 N LYS B 32 14.220 10.169 3.699 1.00 1.14 N ATOM 2289 CA LYS B 32 15.655 10.382 3.787 1.00 1.23 C ATOM 2290 C LYS B 32 16.248 9.600 4.955 1.00 1.23 C ATOM 2291 O LYS B 32 17.464 9.569 5.143 1.00 1.36 O ATOM 2292 CB LYS B 32 15.954 11.871 3.942 1.00 1.29 C ATOM 2293 CG LYS B 32 15.457 12.706 2.772 1.00 1.34 C ATOM 2294 CD LYS B 32 15.661 14.187 3.016 1.00 1.54 C ATOM 2295 CE LYS B 32 15.138 15.014 1.857 1.00 1.64 C ATOM 2296 NZ LYS B 32 15.313 16.474 2.085 1.00 2.22 N1+ ATOM 2297 H LYS B 32 13.612 10.824 4.120 1.00 1.11 H ATOM 2298 HA LYS B 32 16.099 10.028 2.871 1.00 1.30 H ATOM 2299 HB2 LYS B 32 15.476 12.230 4.841 1.00 1.24 H ATOM 2300 HB3 LYS B 32 17.021 12.009 4.028 1.00 1.37 H ATOM 2301 HG2 LYS B 32 15.993 12.423 1.881 1.00 1.43 H ATOM 2302 HG3 LYS B 32 14.403 12.517 2.634 1.00 1.35 H ATOM 2303 HD2 LYS B 32 15.125 14.461 3.910 1.00 1.63 H ATOM 2304 HD3 LYS B 32 16.714 14.383 3.147 1.00 1.72 H ATOM 2305 HE2 LYS B 32 15.671 14.733 0.962 1.00 1.87 H ATOM 2306 HE3 LYS B 32 14.087 14.801 1.731 1.00 1.88 H ATOM 2307 HZ1 LYS B 32 14.972 17.006 1.261 1.00 2.65 H ATOM 2308 HZ2 LYS B 32 16.316 16.696 2.233 1.00 2.62 H ATOM 2309 HZ3 LYS B 32 14.775 16.776 2.921 1.00 2.63 H ATOM 2310 N GLY B 33 15.377 8.971 5.734 1.00 1.13 N ATOM 2311 CA GLY B 33 15.823 8.172 6.856 1.00 1.16 C ATOM 2312 C GLY B 33 15.850 8.962 8.145 1.00 1.15 C ATOM 2313 O GLY B 33 16.636 8.669 9.046 1.00 1.25 O ATOM 2314 H GLY B 33 14.416 9.048 5.540 1.00 1.08 H ATOM 2315 HA2 GLY B 33 15.151 7.331 6.975 1.00 1.14 H ATOM 2316 HA3 GLY B 33 16.818 7.801 6.650 1.00 1.24 H ATOM 2317 N LYS B 34 14.998 9.971 8.233 1.00 1.08 N ATOM 2318 CA LYS B 34 14.928 10.814 9.418 1.00 1.10 C ATOM 2319 C LYS B 34 13.726 10.439 10.270 1.00 1.03 C ATOM 2320 O LYS B 34 12.747 9.901 9.767 1.00 1.10 O ATOM 2321 CB LYS B 34 14.815 12.283 9.013 1.00 1.14 C ATOM 2322 CG LYS B 34 15.916 12.761 8.084 1.00 1.24 C ATOM 2323 CD LYS B 34 17.289 12.648 8.723 1.00 1.41 C ATOM 2324 CE LYS B 34 18.362 13.255 7.836 1.00 1.61 C ATOM 2325 NZ LYS B 34 19.710 13.168 8.456 1.00 2.14 N1+ ATOM 2326 H LYS B 34 14.399 10.158 7.482 1.00 1.05 H ATOM 2327 HA LYS B 34 15.830 10.669 9.992 1.00 1.18 H ATOM 2328 HB2 LYS B 34 13.870 12.429 8.515 1.00 1.14 H ATOM 2329 HB3 LYS B 34 14.837 12.889 9.907 1.00 1.22 H ATOM 2330 HG2 LYS B 34 15.898 12.165 7.187 1.00 1.30 H ATOM 2331 HG3 LYS B 34 15.733 13.793 7.832 1.00 1.34 H ATOM 2332 HD2 LYS B 34 17.277 13.172 9.666 1.00 1.49 H ATOM 2333 HD3 LYS B 34 17.514 11.605 8.889 1.00 1.51 H ATOM 2334 HE2 LYS B 34 18.376 12.731 6.893 1.00 1.85 H ATOM 2335 HE3 LYS B 34 18.120 14.291 7.665 1.00 1.92 H ATOM 2336 HZ1 LYS B 34 19.720 13.669 9.365 1.00 2.58 H ATOM 2337 HZ2 LYS B 34 20.421 13.598 7.829 1.00 2.54 H ATOM 2338 HZ3 LYS B 34 19.968 12.174 8.617 1.00 2.50 H ATOM 2339 N GLU B 35 13.808 10.723 11.557 1.00 1.00 N ATOM 2340 CA GLU B 35 12.684 10.525 12.455 1.00 0.95 C ATOM 2341 C GLU B 35 12.024 11.867 12.718 1.00 0.94 C ATOM 2342 O GLU B 35 12.646 12.776 13.273 1.00 1.02 O ATOM 2343 CB GLU B 35 13.143 9.889 13.770 1.00 1.05 C ATOM 2344 CG GLU B 35 12.014 9.651 14.761 1.00 1.08 C ATOM 2345 CD GLU B 35 12.476 8.949 16.020 1.00 1.54 C ATOM 2346 OE1 GLU B 35 12.505 7.697 16.029 1.00 2.19 O ATOM 2347 OE2 GLU B 35 12.813 9.636 17.007 1.00 2.06 O1+ ATOM 2348 H GLU B 35 14.645 11.085 11.912 1.00 1.08 H ATOM 2349 HA GLU B 35 11.974 9.872 11.968 1.00 0.90 H ATOM 2350 HB2 GLU B 35 13.612 8.941 13.553 1.00 1.08 H ATOM 2351 HB3 GLU B 35 13.868 10.541 14.232 1.00 1.11 H ATOM 2352 HG2 GLU B 35 11.589 10.604 15.036 1.00 1.34 H ATOM 2353 HG3 GLU B 35 11.258 9.047 14.287 1.00 1.05 H ATOM 2354 N VAL B 36 10.780 12.002 12.299 1.00 0.87 N ATOM 2355 CA VAL B 36 10.090 13.276 12.393 1.00 0.89 C ATOM 2356 C VAL B 36 8.772 13.143 13.143 1.00 0.85 C ATOM 2357 O VAL B 36 8.144 12.080 13.149 1.00 0.80 O ATOM 2358 CB VAL B 36 9.825 13.871 10.995 1.00 0.91 C ATOM 2359 CG1 VAL B 36 11.131 14.247 10.314 1.00 1.01 C ATOM 2360 CG2 VAL B 36 9.041 12.897 10.132 1.00 0.85 C ATOM 2361 H VAL B 36 10.310 11.225 11.918 1.00 0.82 H ATOM 2362 HA VAL B 36 10.730 13.956 12.934 1.00 0.97 H ATOM 2363 HB VAL B 36 9.237 14.768 11.114 1.00 0.95 H ATOM 2364 HG11 VAL B 36 10.922 14.637 9.328 1.00 1.47 H ATOM 2365 HG12 VAL B 36 11.756 13.371 10.229 1.00 1.40 H ATOM 2366 HG13 VAL B 36 11.639 14.998 10.899 1.00 1.48 H ATOM 2367 HG21 VAL B 36 9.615 11.990 10.004 1.00 1.33 H ATOM 2368 HG22 VAL B 36 8.852 13.342 9.168 1.00 1.19 H ATOM 2369 HG23 VAL B 36 8.103 12.663 10.614 1.00 1.42 H ATOM 2370 N THR B 37 8.374 14.233 13.783 1.00 0.90 N ATOM 2371 CA THR B 37 7.111 14.300 14.492 1.00 0.91 C ATOM 2372 C THR B 37 5.988 14.592 13.509 1.00 0.90 C ATOM 2373 O THR B 37 5.999 15.619 12.832 1.00 0.94 O ATOM 2374 CB THR B 37 7.148 15.391 15.576 1.00 1.00 C ATOM 2375 OG1 THR B 37 8.267 15.173 16.444 1.00 1.04 O ATOM 2376 CG2 THR B 37 5.862 15.411 16.392 1.00 1.04 C ATOM 2377 H THR B 37 8.948 15.030 13.772 1.00 0.96 H ATOM 2378 HA THR B 37 6.934 13.347 14.965 1.00 0.88 H ATOM 2379 HB THR B 37 7.262 16.348 15.092 1.00 1.04 H ATOM 2380 HG1 THR B 37 8.014 14.554 17.140 1.00 1.32 H ATOM 2381 HG21 THR B 37 5.725 14.452 16.870 1.00 1.43 H ATOM 2382 HG22 THR B 37 5.026 15.611 15.739 1.00 1.50 H ATOM 2383 HG23 THR B 37 5.925 16.183 17.145 1.00 1.43 H ATOM 2384 N VAL B 38 5.035 13.686 13.428 1.00 0.87 N ATOM 2385 CA VAL B 38 3.964 13.794 12.459 1.00 0.90 C ATOM 2386 C VAL B 38 2.828 14.646 13.006 1.00 0.97 C ATOM 2387 O VAL B 38 2.457 14.527 14.172 1.00 1.10 O ATOM 2388 CB VAL B 38 3.426 12.401 12.064 1.00 0.90 C ATOM 2389 CG1 VAL B 38 2.338 12.512 11.010 1.00 0.98 C ATOM 2390 CG2 VAL B 38 4.556 11.519 11.565 1.00 0.88 C ATOM 2391 H VAL B 38 5.038 12.932 14.055 1.00 0.87 H ATOM 2392 HA VAL B 38 4.362 14.268 11.578 1.00 0.91 H ATOM 2393 HB VAL B 38 3.002 11.939 12.942 1.00 0.91 H ATOM 2394 HG11 VAL B 38 2.742 12.980 10.124 1.00 1.29 H ATOM 2395 HG12 VAL B 38 1.525 13.109 11.394 1.00 1.55 H ATOM 2396 HG13 VAL B 38 1.977 11.527 10.762 1.00 1.43 H ATOM 2397 HG21 VAL B 38 5.303 11.417 12.337 1.00 1.33 H ATOM 2398 HG22 VAL B 38 5.003 11.966 10.688 1.00 1.39 H ATOM 2399 HG23 VAL B 38 4.166 10.543 11.311 1.00 1.32 H ATOM 2400 N LEU B 39 2.305 15.526 12.171 1.00 1.11 N ATOM 2401 CA LEU B 39 1.154 16.329 12.532 1.00 1.26 C ATOM 2402 C LEU B 39 -0.053 15.860 11.736 1.00 1.47 C ATOM 2403 O LEU B 39 -0.125 16.062 10.521 1.00 1.91 O ATOM 2404 CB LEU B 39 1.433 17.812 12.259 1.00 1.24 C ATOM 2405 CG LEU B 39 2.697 18.367 12.923 1.00 1.16 C ATOM 2406 CD1 LEU B 39 2.961 19.789 12.464 1.00 1.22 C ATOM 2407 CD2 LEU B 39 2.576 18.312 14.437 1.00 1.22 C ATOM 2408 H LEU B 39 2.705 15.645 11.283 1.00 1.23 H ATOM 2409 HA LEU B 39 0.962 16.187 13.586 1.00 1.32 H ATOM 2410 HB2 LEU B 39 1.524 17.948 11.191 1.00 1.26 H ATOM 2411 HB3 LEU B 39 0.590 18.387 12.610 1.00 1.35 H ATOM 2412 HG LEU B 39 3.540 17.761 12.634 1.00 1.08 H ATOM 2413 HD11 LEU B 39 3.092 19.803 11.392 1.00 1.59 H ATOM 2414 HD12 LEU B 39 3.857 20.160 12.940 1.00 1.69 H ATOM 2415 HD13 LEU B 39 2.122 20.414 12.734 1.00 1.50 H ATOM 2416 HD21 LEU B 39 1.717 18.887 14.750 1.00 1.63 H ATOM 2417 HD22 LEU B 39 3.469 18.725 14.883 1.00 1.56 H ATOM 2418 HD23 LEU B 39 2.457 17.286 14.751 1.00 1.61 H ATOM 2419 N ALA B 40 -0.980 15.201 12.418 1.00 1.58 N ATOM 2420 CA ALA B 40 -2.185 14.696 11.779 1.00 1.83 C ATOM 2421 C ALA B 40 -3.067 15.852 11.344 1.00 1.90 C ATOM 2422 O ALA B 40 -3.867 15.734 10.412 1.00 2.18 O ATOM 2423 CB ALA B 40 -2.938 13.776 12.721 1.00 2.02 C ATOM 2424 H ALA B 40 -0.854 15.060 13.381 1.00 1.79 H ATOM 2425 HA ALA B 40 -1.892 14.128 10.909 1.00 1.92 H ATOM 2426 HB1 ALA B 40 -3.793 13.359 12.211 1.00 2.32 H ATOM 2427 HB2 ALA B 40 -3.271 14.338 13.582 1.00 2.27 H ATOM 2428 HB3 ALA B 40 -2.287 12.976 13.042 1.00 2.34 H ATOM 2429 N GLU B 41 -2.911 16.963 12.040 1.00 1.74 N ATOM 2430 CA GLU B 41 -3.572 18.192 11.674 1.00 1.83 C ATOM 2431 C GLU B 41 -2.543 19.141 11.084 1.00 1.60 C ATOM 2432 O GLU B 41 -1.625 19.586 11.778 1.00 1.50 O ATOM 2433 CB GLU B 41 -4.231 18.822 12.901 1.00 2.02 C ATOM 2434 CG GLU B 41 -5.123 17.862 13.667 1.00 2.44 C ATOM 2435 CD GLU B 41 -5.842 18.532 14.815 1.00 3.03 C ATOM 2436 OE1 GLU B 41 -5.280 18.582 15.928 1.00 3.59 O ATOM 2437 OE2 GLU B 41 -6.975 19.017 14.608 1.00 3.45 O1+ ATOM 2438 H GLU B 41 -2.318 16.957 12.821 1.00 1.61 H ATOM 2439 HA GLU B 41 -4.323 17.968 10.934 1.00 2.08 H ATOM 2440 HB2 GLU B 41 -3.458 19.174 13.567 1.00 1.94 H ATOM 2441 HB3 GLU B 41 -4.829 19.663 12.582 1.00 2.23 H ATOM 2442 HG2 GLU B 41 -5.856 17.452 12.993 1.00 2.58 H ATOM 2443 HG3 GLU B 41 -4.512 17.063 14.061 1.00 2.72 H ATOM 2444 N VAL B 42 -2.692 19.449 9.809 1.00 1.66 N ATOM 2445 CA VAL B 42 -1.727 20.280 9.123 1.00 1.60 C ATOM 2446 C VAL B 42 -2.124 21.747 9.227 1.00 1.49 C ATOM 2447 O VAL B 42 -3.240 22.135 8.878 1.00 1.70 O ATOM 2448 CB VAL B 42 -1.548 19.866 7.634 1.00 2.04 C ATOM 2449 CG1 VAL B 42 -1.159 18.399 7.532 1.00 2.39 C ATOM 2450 CG2 VAL B 42 -2.798 20.133 6.809 1.00 2.19 C ATOM 2451 H VAL B 42 -3.479 19.116 9.322 1.00 1.86 H ATOM 2452 HA VAL B 42 -0.776 20.150 9.621 1.00 1.58 H ATOM 2453 HB VAL B 42 -0.742 20.451 7.216 1.00 2.20 H ATOM 2454 HG11 VAL B 42 -1.033 18.134 6.493 1.00 2.60 H ATOM 2455 HG12 VAL B 42 -1.936 17.790 7.969 1.00 2.60 H ATOM 2456 HG13 VAL B 42 -0.233 18.236 8.061 1.00 2.85 H ATOM 2457 HG21 VAL B 42 -3.034 21.187 6.843 1.00 2.45 H ATOM 2458 HG22 VAL B 42 -3.624 19.567 7.213 1.00 2.54 H ATOM 2459 HG23 VAL B 42 -2.624 19.836 5.786 1.00 2.40 H ATOM 2460 N ASN B 43 -1.222 22.551 9.759 1.00 1.51 N ATOM 2461 CA ASN B 43 -1.463 23.977 9.874 1.00 1.72 C ATOM 2462 C ASN B 43 -0.888 24.696 8.664 1.00 1.79 C ATOM 2463 O ASN B 43 0.325 24.792 8.491 1.00 2.11 O ATOM 2464 CB ASN B 43 -0.890 24.544 11.190 1.00 2.20 C ATOM 2465 CG ASN B 43 0.622 24.408 11.327 1.00 2.55 C ATOM 2466 OD1 ASN B 43 1.377 25.300 10.940 1.00 3.25 O ATOM 2467 ND2 ASN B 43 1.075 23.303 11.903 1.00 2.50 N ATOM 2468 H ASN B 43 -0.375 22.178 10.077 1.00 1.62 H ATOM 2469 HA ASN B 43 -2.534 24.121 9.871 1.00 1.75 H ATOM 2470 HB2 ASN B 43 -1.133 25.594 11.252 1.00 2.51 H ATOM 2471 HB3 ASN B 43 -1.352 24.030 12.021 1.00 2.57 H ATOM 2472 HD21 ASN B 43 0.422 22.637 12.210 1.00 2.28 H ATOM 2473 HD22 ASN B 43 2.044 23.201 12.007 1.00 2.95 H ATOM 2474 N ILE B 44 -1.767 25.156 7.795 1.00 1.73 N ATOM 2475 CA ILE B 44 -1.350 25.905 6.629 1.00 1.97 C ATOM 2476 C ILE B 44 -1.625 27.386 6.853 1.00 2.17 C ATOM 2477 O ILE B 44 -2.609 27.936 6.351 1.00 2.77 O ATOM 2478 CB ILE B 44 -2.061 25.415 5.347 1.00 2.06 C ATOM 2479 CG1 ILE B 44 -1.846 23.906 5.163 1.00 2.19 C ATOM 2480 CG2 ILE B 44 -1.548 26.174 4.133 1.00 2.54 C ATOM 2481 CD1 ILE B 44 -2.578 23.325 3.968 1.00 2.51 C ATOM 2482 H ILE B 44 -2.727 24.989 7.944 1.00 1.71 H ATOM 2483 HA ILE B 44 -0.285 25.763 6.507 1.00 2.23 H ATOM 2484 HB ILE B 44 -3.116 25.612 5.447 1.00 1.99 H ATOM 2485 HG12 ILE B 44 -0.791 23.715 5.030 1.00 2.51 H ATOM 2486 HG13 ILE B 44 -2.193 23.390 6.048 1.00 2.16 H ATOM 2487 HG21 ILE B 44 -1.698 27.233 4.280 1.00 2.80 H ATOM 2488 HG22 ILE B 44 -2.086 25.854 3.253 1.00 2.98 H ATOM 2489 HG23 ILE B 44 -0.494 25.975 4.002 1.00 2.77 H ATOM 2490 HD11 ILE B 44 -3.634 23.529 4.058 1.00 2.71 H ATOM 2491 HD12 ILE B 44 -2.419 22.257 3.935 1.00 2.77 H ATOM 2492 HD13 ILE B 44 -2.199 23.774 3.061 1.00 2.95 H ATOM 2493 N ASN B 45 -0.759 28.003 7.655 1.00 2.27 N ATOM 2494 CA ASN B 45 -0.854 29.421 8.005 1.00 2.64 C ATOM 2495 C ASN B 45 -2.110 29.701 8.826 1.00 2.80 C ATOM 2496 O ASN B 45 -2.058 29.746 10.055 1.00 3.41 O ATOM 2497 CB ASN B 45 -0.814 30.322 6.755 1.00 2.92 C ATOM 2498 CG ASN B 45 0.575 30.451 6.142 1.00 3.28 C ATOM 2499 OD1 ASN B 45 0.909 31.485 5.562 1.00 3.84 O ATOM 2500 ND2 ASN B 45 1.393 29.410 6.251 1.00 3.42 N ATOM 2501 H ASN B 45 -0.026 27.476 8.041 1.00 2.51 H ATOM 2502 HA ASN B 45 0.003 29.655 8.623 1.00 2.89 H ATOM 2503 HB2 ASN B 45 -1.475 29.910 6.007 1.00 2.97 H ATOM 2504 HB3 ASN B 45 -1.163 31.310 7.023 1.00 3.30 H ATOM 2505 HD21 ASN B 45 1.072 28.610 6.720 1.00 3.30 H ATOM 2506 HD22 ASN B 45 2.289 29.481 5.853 1.00 3.91 H ATOM 2507 N ASN B 46 -3.241 29.859 8.151 1.00 2.74 N ATOM 2508 CA ASN B 46 -4.496 30.165 8.827 1.00 3.13 C ATOM 2509 C ASN B 46 -5.571 29.147 8.469 1.00 2.91 C ATOM 2510 O ASN B 46 -6.758 29.469 8.445 1.00 3.25 O ATOM 2511 CB ASN B 46 -4.983 31.574 8.469 1.00 3.69 C ATOM 2512 CG ASN B 46 -4.080 32.679 8.992 1.00 4.22 C ATOM 2513 OD1 ASN B 46 -3.972 33.743 8.381 1.00 4.58 O ATOM 2514 ND2 ASN B 46 -3.437 32.450 10.129 1.00 4.76 N ATOM 2515 H ASN B 46 -3.234 29.761 7.173 1.00 2.81 H ATOM 2516 HA ASN B 46 -4.316 30.117 9.891 1.00 3.37 H ATOM 2517 HB2 ASN B 46 -5.036 31.666 7.396 1.00 3.82 H ATOM 2518 HB3 ASN B 46 -5.971 31.719 8.883 1.00 4.01 H ATOM 2519 HD21 ASN B 46 -3.571 31.587 10.573 1.00 4.83 H ATOM 2520 HD22 ASN B 46 -2.854 33.156 10.481 1.00 5.31 H ATOM 2521 N SER B 47 -5.160 27.921 8.177 1.00 2.52 N ATOM 2522 CA SER B 47 -6.103 26.864 7.849 1.00 2.41 C ATOM 2523 C SER B 47 -5.581 25.518 8.336 1.00 1.94 C ATOM 2524 O SER B 47 -4.543 25.038 7.873 1.00 1.87 O ATOM 2525 CB SER B 47 -6.349 26.824 6.338 1.00 2.80 C ATOM 2526 OG SER B 47 -6.769 28.090 5.855 1.00 3.33 O ATOM 2527 H SER B 47 -4.200 27.720 8.181 1.00 2.47 H ATOM 2528 HA SER B 47 -7.031 27.082 8.354 1.00 2.57 H ATOM 2529 HB2 SER B 47 -5.435 26.546 5.834 1.00 3.09 H ATOM 2530 HB3 SER B 47 -7.116 26.096 6.119 1.00 2.91 H ATOM 2531 HG SER B 47 -7.061 28.635 6.600 1.00 3.54 H ATOM 2532 N VAL B 48 -6.291 24.920 9.282 1.00 1.89 N ATOM 2533 CA VAL B 48 -5.899 23.627 9.826 1.00 1.72 C ATOM 2534 C VAL B 48 -6.750 22.510 9.231 1.00 1.77 C ATOM 2535 O VAL B 48 -7.978 22.524 9.335 1.00 2.07 O ATOM 2536 CB VAL B 48 -6.023 23.599 11.366 1.00 2.05 C ATOM 2537 CG1 VAL B 48 -5.575 22.258 11.926 1.00 2.38 C ATOM 2538 CG2 VAL B 48 -5.223 24.732 11.986 1.00 2.33 C ATOM 2539 H VAL B 48 -7.100 25.356 9.627 1.00 2.16 H ATOM 2540 HA VAL B 48 -4.864 23.457 9.566 1.00 1.67 H ATOM 2541 HB VAL B 48 -7.062 23.740 11.625 1.00 2.20 H ATOM 2542 HG11 VAL B 48 -5.675 22.265 13.000 1.00 2.78 H ATOM 2543 HG12 VAL B 48 -4.541 22.084 11.663 1.00 2.71 H ATOM 2544 HG13 VAL B 48 -6.188 21.473 11.510 1.00 2.57 H ATOM 2545 HG21 VAL B 48 -5.588 25.677 11.615 1.00 2.57 H ATOM 2546 HG22 VAL B 48 -4.181 24.621 11.725 1.00 2.62 H ATOM 2547 HG23 VAL B 48 -5.329 24.702 13.060 1.00 2.68 H ATOM 2548 N PHE B 49 -6.091 21.554 8.598 1.00 1.72 N ATOM 2549 CA PHE B 49 -6.771 20.409 8.006 1.00 1.96 C ATOM 2550 C PHE B 49 -6.258 19.119 8.628 1.00 1.69 C ATOM 2551 O PHE B 49 -5.055 18.878 8.658 1.00 1.90 O ATOM 2552 CB PHE B 49 -6.558 20.371 6.486 1.00 2.53 C ATOM 2553 CG PHE B 49 -7.317 21.422 5.729 1.00 2.78 C ATOM 2554 CD1 PHE B 49 -6.753 22.663 5.472 1.00 2.80 C ATOM 2555 CD2 PHE B 49 -8.595 21.161 5.260 1.00 3.40 C ATOM 2556 CE1 PHE B 49 -7.453 23.623 4.764 1.00 3.32 C ATOM 2557 CE2 PHE B 49 -9.297 22.118 4.554 1.00 4.13 C ATOM 2558 CZ PHE B 49 -8.725 23.349 4.305 1.00 4.05 C ATOM 2559 H PHE B 49 -5.109 21.612 8.538 1.00 1.71 H ATOM 2560 HA PHE B 49 -7.827 20.504 8.214 1.00 2.26 H ATOM 2561 HB2 PHE B 49 -5.507 20.510 6.275 1.00 2.96 H ATOM 2562 HB3 PHE B 49 -6.866 19.405 6.112 1.00 2.91 H ATOM 2563 HD1 PHE B 49 -5.759 22.878 5.833 1.00 2.66 H ATOM 2564 HD2 PHE B 49 -9.044 20.200 5.453 1.00 3.50 H ATOM 2565 HE1 PHE B 49 -7.004 24.586 4.570 1.00 3.36 H ATOM 2566 HE2 PHE B 49 -10.293 21.902 4.196 1.00 4.84 H ATOM 2567 HZ PHE B 49 -9.274 24.097 3.752 1.00 4.69 H ATOM 2568 N ARG B 50 -7.165 18.293 9.128 1.00 1.63 N ATOM 2569 CA ARG B 50 -6.774 17.031 9.743 1.00 1.49 C ATOM 2570 C ARG B 50 -7.064 15.861 8.814 1.00 1.50 C ATOM 2571 O ARG B 50 -8.079 15.844 8.115 1.00 1.83 O ATOM 2572 CB ARG B 50 -7.482 16.822 11.090 1.00 1.73 C ATOM 2573 CG ARG B 50 -8.996 16.713 11.003 1.00 2.22 C ATOM 2574 CD ARG B 50 -9.589 16.264 12.330 1.00 2.77 C ATOM 2575 NE ARG B 50 -9.154 17.109 13.445 1.00 3.36 N ATOM 2576 CZ ARG B 50 -9.672 17.055 14.672 1.00 4.00 C ATOM 2577 NH1 ARG B 50 -10.667 16.219 14.943 1.00 4.08 N1+ ATOM 2578 NH2 ARG B 50 -9.188 17.838 15.625 1.00 4.84 N ATOM 2579 H ARG B 50 -8.114 18.532 9.077 1.00 1.93 H ATOM 2580 HA ARG B 50 -5.708 17.071 9.913 1.00 1.71 H ATOM 2581 HB2 ARG B 50 -7.113 15.914 11.540 1.00 2.01 H ATOM 2582 HB3 ARG B 50 -7.244 17.654 11.735 1.00 2.27 H ATOM 2583 HG2 ARG B 50 -9.405 17.676 10.744 1.00 2.66 H ATOM 2584 HG3 ARG B 50 -9.252 15.990 10.242 1.00 2.50 H ATOM 2585 HD2 ARG B 50 -10.667 16.306 12.260 1.00 3.12 H ATOM 2586 HD3 ARG B 50 -9.280 15.248 12.520 1.00 2.96 H ATOM 2587 HE ARG B 50 -8.425 17.745 13.270 1.00 3.57 H ATOM 2588 HH11 ARG B 50 -11.034 15.620 14.225 1.00 3.80 H ATOM 2589 HH12 ARG B 50 -11.055 16.178 15.866 1.00 4.65 H ATOM 2590 HH21 ARG B 50 -8.426 18.470 15.422 1.00 5.09 H ATOM 2591 HH22 ARG B 50 -9.574 17.809 16.550 1.00 5.38 H ATOM 2592 N GLN B 51 -6.158 14.897 8.796 1.00 1.65 N ATOM 2593 CA GLN B 51 -6.329 13.697 7.993 1.00 2.04 C ATOM 2594 C GLN B 51 -6.011 12.468 8.830 1.00 1.81 C ATOM 2595 O GLN B 51 -5.572 12.583 9.976 1.00 2.52 O ATOM 2596 CB GLN B 51 -5.431 13.719 6.747 1.00 2.80 C ATOM 2597 CG GLN B 51 -5.633 14.934 5.854 1.00 3.27 C ATOM 2598 CD GLN B 51 -4.717 16.087 6.215 1.00 3.85 C ATOM 2599 OE1 GLN B 51 -3.584 15.876 6.654 1.00 4.12 O ATOM 2600 NE2 GLN B 51 -5.195 17.306 6.030 1.00 4.56 N ATOM 2601 H GLN B 51 -5.348 14.991 9.350 1.00 1.81 H ATOM 2602 HA GLN B 51 -7.365 13.652 7.684 1.00 2.22 H ATOM 2603 HB2 GLN B 51 -4.398 13.702 7.063 1.00 3.23 H ATOM 2604 HB3 GLN B 51 -5.630 12.833 6.161 1.00 3.14 H ATOM 2605 HG2 GLN B 51 -5.440 14.649 4.831 1.00 3.47 H ATOM 2606 HG3 GLN B 51 -6.656 15.268 5.946 1.00 3.61 H ATOM 2607 HE21 GLN B 51 -6.107 17.399 5.670 1.00 4.69 H ATOM 2608 HE22 GLN B 51 -4.624 18.070 6.273 1.00 5.18 H ATOM 2609 N TYR B 52 -6.238 11.297 8.255 1.00 1.37 N ATOM 2610 CA TYR B 52 -5.951 10.044 8.935 1.00 1.19 C ATOM 2611 C TYR B 52 -4.951 9.245 8.112 1.00 1.14 C ATOM 2612 O TYR B 52 -5.065 9.174 6.888 1.00 1.39 O ATOM 2613 CB TYR B 52 -7.236 9.232 9.137 1.00 1.33 C ATOM 2614 CG TYR B 52 -8.415 10.058 9.608 1.00 1.36 C ATOM 2615 CD1 TYR B 52 -8.414 10.677 10.853 1.00 1.62 C ATOM 2616 CD2 TYR B 52 -9.533 10.219 8.798 1.00 1.98 C ATOM 2617 CE1 TYR B 52 -9.491 11.431 11.275 1.00 1.89 C ATOM 2618 CE2 TYR B 52 -10.613 10.970 9.213 1.00 2.26 C ATOM 2619 CZ TYR B 52 -10.588 11.575 10.451 1.00 2.00 C ATOM 2620 OH TYR B 52 -11.667 12.322 10.869 1.00 2.45 O ATOM 2621 H TYR B 52 -6.601 11.271 7.345 1.00 1.70 H ATOM 2622 HA TYR B 52 -5.513 10.277 9.896 1.00 1.17 H ATOM 2623 HB2 TYR B 52 -7.514 8.769 8.204 1.00 1.57 H ATOM 2624 HB3 TYR B 52 -7.056 8.462 9.875 1.00 1.51 H ATOM 2625 HD1 TYR B 52 -7.554 10.563 11.495 1.00 2.08 H ATOM 2626 HD2 TYR B 52 -9.551 9.744 7.828 1.00 2.55 H ATOM 2627 HE1 TYR B 52 -9.470 11.905 12.244 1.00 2.43 H ATOM 2628 HE2 TYR B 52 -11.472 11.083 8.568 1.00 2.96 H ATOM 2629 HH TYR B 52 -12.478 11.819 10.719 1.00 2.76 H ATOM 2630 N PHE B 53 -3.964 8.670 8.776 1.00 0.94 N ATOM 2631 CA PHE B 53 -2.916 7.928 8.092 1.00 0.91 C ATOM 2632 C PHE B 53 -3.246 6.443 8.060 1.00 0.91 C ATOM 2633 O PHE B 53 -3.416 5.816 9.101 1.00 0.94 O ATOM 2634 CB PHE B 53 -1.570 8.161 8.779 1.00 0.87 C ATOM 2635 CG PHE B 53 -1.215 9.616 8.883 1.00 0.93 C ATOM 2636 CD1 PHE B 53 -0.726 10.301 7.784 1.00 1.02 C ATOM 2637 CD2 PHE B 53 -1.387 10.299 10.074 1.00 1.00 C ATOM 2638 CE1 PHE B 53 -0.413 11.644 7.870 1.00 1.13 C ATOM 2639 CE2 PHE B 53 -1.074 11.641 10.169 1.00 1.12 C ATOM 2640 CZ PHE B 53 -0.588 12.314 9.066 1.00 1.16 C ATOM 2641 H PHE B 53 -3.938 8.744 9.757 1.00 0.92 H ATOM 2642 HA PHE B 53 -2.863 8.294 7.077 1.00 0.97 H ATOM 2643 HB2 PHE B 53 -1.605 7.754 9.780 1.00 0.85 H ATOM 2644 HB3 PHE B 53 -0.789 7.665 8.218 1.00 0.89 H ATOM 2645 HD1 PHE B 53 -0.588 9.777 6.852 1.00 1.05 H ATOM 2646 HD2 PHE B 53 -1.766 9.773 10.937 1.00 1.02 H ATOM 2647 HE1 PHE B 53 -0.032 12.167 7.006 1.00 1.23 H ATOM 2648 HE2 PHE B 53 -1.211 12.162 11.105 1.00 1.22 H ATOM 2649 HZ PHE B 53 -0.346 13.364 9.138 1.00 1.28 H ATOM 2650 N PHE B 54 -3.327 5.891 6.863 1.00 0.96 N ATOM 2651 CA PHE B 54 -3.694 4.497 6.690 1.00 1.00 C ATOM 2652 C PHE B 54 -2.479 3.588 6.851 1.00 0.95 C ATOM 2653 O PHE B 54 -1.594 3.546 6.000 1.00 1.03 O ATOM 2654 CB PHE B 54 -4.361 4.283 5.320 1.00 1.13 C ATOM 2655 CG PHE B 54 -3.626 4.910 4.162 1.00 1.57 C ATOM 2656 CD1 PHE B 54 -2.761 4.159 3.377 1.00 2.13 C ATOM 2657 CD2 PHE B 54 -3.807 6.249 3.854 1.00 2.47 C ATOM 2658 CE1 PHE B 54 -2.091 4.735 2.315 1.00 3.04 C ATOM 2659 CE2 PHE B 54 -3.140 6.829 2.793 1.00 3.41 C ATOM 2660 CZ PHE B 54 -2.282 6.070 2.024 1.00 3.56 C ATOM 2661 H PHE B 54 -3.134 6.432 6.074 1.00 1.01 H ATOM 2662 HA PHE B 54 -4.408 4.252 7.465 1.00 1.03 H ATOM 2663 HB2 PHE B 54 -4.434 3.224 5.125 1.00 1.61 H ATOM 2664 HB3 PHE B 54 -5.356 4.704 5.346 1.00 1.49 H ATOM 2665 HD1 PHE B 54 -2.610 3.115 3.605 1.00 2.38 H ATOM 2666 HD2 PHE B 54 -4.479 6.845 4.456 1.00 2.81 H ATOM 2667 HE1 PHE B 54 -1.421 4.139 1.714 1.00 3.66 H ATOM 2668 HE2 PHE B 54 -3.290 7.874 2.566 1.00 4.27 H ATOM 2669 HZ PHE B 54 -1.760 6.522 1.193 1.00 4.41 H ATOM 2670 N GLU B 55 -2.433 2.883 7.967 1.00 0.89 N ATOM 2671 CA GLU B 55 -1.362 1.942 8.226 1.00 0.88 C ATOM 2672 C GLU B 55 -1.926 0.533 8.293 1.00 0.92 C ATOM 2673 O GLU B 55 -2.695 0.201 9.199 1.00 1.11 O ATOM 2674 CB GLU B 55 -0.635 2.278 9.535 1.00 0.89 C ATOM 2675 CG GLU B 55 -0.132 3.715 9.617 1.00 0.91 C ATOM 2676 CD GLU B 55 0.936 3.891 10.675 1.00 0.90 C ATOM 2677 OE1 GLU B 55 0.614 4.344 11.794 1.00 1.42 O ATOM 2678 OE2 GLU B 55 2.111 3.576 10.400 1.00 1.49 O1+ ATOM 2679 H GLU B 55 -3.147 2.996 8.636 1.00 0.89 H ATOM 2680 HA GLU B 55 -0.662 1.998 7.403 1.00 0.91 H ATOM 2681 HB2 GLU B 55 -1.311 2.109 10.362 1.00 1.03 H ATOM 2682 HB3 GLU B 55 0.215 1.615 9.640 1.00 1.00 H ATOM 2683 HG2 GLU B 55 0.279 4.002 8.662 1.00 1.09 H ATOM 2684 HG3 GLU B 55 -0.966 4.363 9.860 1.00 1.12 H ATOM 2685 N THR B 56 -1.568 -0.282 7.317 1.00 0.87 N ATOM 2686 CA THR B 56 -2.010 -1.660 7.284 1.00 0.93 C ATOM 2687 C THR B 56 -0.864 -2.586 7.665 1.00 0.97 C ATOM 2688 O THR B 56 0.049 -2.832 6.875 1.00 1.03 O ATOM 2689 CB THR B 56 -2.559 -2.047 5.898 1.00 0.99 C ATOM 2690 OG1 THR B 56 -3.535 -1.082 5.472 1.00 1.05 O ATOM 2691 CG2 THR B 56 -3.194 -3.433 5.929 1.00 1.07 C ATOM 2692 H THR B 56 -0.979 0.054 6.603 1.00 0.89 H ATOM 2693 HA THR B 56 -2.802 -1.770 8.009 1.00 0.98 H ATOM 2694 HB THR B 56 -1.741 -2.055 5.191 1.00 0.98 H ATOM 2695 HG1 THR B 56 -3.171 -0.571 4.740 1.00 1.21 H ATOM 2696 HG21 THR B 56 -2.454 -4.159 6.234 1.00 1.53 H ATOM 2697 HG22 THR B 56 -3.561 -3.683 4.946 1.00 1.57 H ATOM 2698 HG23 THR B 56 -4.013 -3.439 6.633 1.00 1.36 H ATOM 2699 N LYS B 57 -0.923 -3.099 8.882 1.00 1.05 N ATOM 2700 CA LYS B 57 0.135 -3.936 9.413 1.00 1.16 C ATOM 2701 C LYS B 57 -0.290 -5.393 9.358 1.00 1.24 C ATOM 2702 O LYS B 57 -1.449 -5.694 9.076 1.00 1.30 O ATOM 2703 CB LYS B 57 0.453 -3.537 10.857 1.00 1.29 C ATOM 2704 CG LYS B 57 0.794 -2.064 11.030 1.00 1.54 C ATOM 2705 CD LYS B 57 1.164 -1.747 12.468 1.00 1.65 C ATOM 2706 CE LYS B 57 2.527 -2.309 12.830 1.00 1.90 C ATOM 2707 NZ LYS B 57 3.630 -1.606 12.122 1.00 2.48 N1+ ATOM 2708 H LYS B 57 -1.723 -2.927 9.433 1.00 1.10 H ATOM 2709 HA LYS B 57 1.013 -3.799 8.799 1.00 1.17 H ATOM 2710 HB2 LYS B 57 -0.407 -3.758 11.475 1.00 1.47 H ATOM 2711 HB3 LYS B 57 1.292 -4.120 11.204 1.00 1.54 H ATOM 2712 HG2 LYS B 57 1.631 -1.824 10.394 1.00 1.83 H ATOM 2713 HG3 LYS B 57 -0.060 -1.467 10.747 1.00 1.78 H ATOM 2714 HD2 LYS B 57 1.186 -0.678 12.598 1.00 1.84 H ATOM 2715 HD3 LYS B 57 0.423 -2.179 13.121 1.00 1.93 H ATOM 2716 HE2 LYS B 57 2.673 -2.204 13.892 1.00 2.26 H ATOM 2717 HE3 LYS B 57 2.550 -3.355 12.568 1.00 2.25 H ATOM 2718 HZ1 LYS B 57 3.426 -1.542 11.099 1.00 2.92 H ATOM 2719 HZ2 LYS B 57 4.521 -2.123 12.250 1.00 2.73 H ATOM 2720 HZ3 LYS B 57 3.744 -0.644 12.500 1.00 2.93 H ATOM 2721 N CYS B 58 0.634 -6.296 9.614 1.00 1.32 N ATOM 2722 CA CYS B 58 0.322 -7.708 9.555 1.00 1.44 C ATOM 2723 C CYS B 58 0.302 -8.302 10.956 1.00 1.57 C ATOM 2724 O CYS B 58 1.333 -8.391 11.623 1.00 1.73 O ATOM 2725 CB CYS B 58 1.331 -8.446 8.676 1.00 1.57 C ATOM 2726 SG CYS B 58 0.632 -9.896 7.829 1.00 1.71 S ATOM 2727 H CYS B 58 1.544 -6.009 9.851 1.00 1.36 H ATOM 2728 HA CYS B 58 -0.659 -7.809 9.122 1.00 1.41 H ATOM 2729 HB2 CYS B 58 1.703 -7.774 7.921 1.00 1.75 H ATOM 2730 HB3 CYS B 58 2.152 -8.786 9.287 1.00 1.77 H ATOM 2731 N ARG B 59 -0.889 -8.692 11.397 1.00 1.60 N ATOM 2732 CA ARG B 59 -1.071 -9.272 12.721 1.00 1.78 C ATOM 2733 C ARG B 59 -0.405 -10.638 12.798 1.00 1.90 C ATOM 2734 O ARG B 59 0.202 -10.990 13.809 1.00 2.31 O ATOM 2735 CB ARG B 59 -2.561 -9.404 13.050 1.00 1.88 C ATOM 2736 CG ARG B 59 -3.255 -8.080 13.328 1.00 1.84 C ATOM 2737 CD ARG B 59 -4.746 -8.273 13.569 1.00 1.95 C ATOM 2738 NE ARG B 59 -5.412 -7.029 13.953 1.00 2.39 N ATOM 2739 CZ ARG B 59 -6.683 -6.741 13.659 1.00 2.75 C ATOM 2740 NH1 ARG B 59 -7.407 -7.583 12.930 1.00 2.69 N1+ ATOM 2741 NH2 ARG B 59 -7.226 -5.611 14.095 1.00 3.49 N ATOM 2742 H ARG B 59 -1.666 -8.606 10.806 1.00 1.56 H ATOM 2743 HA ARG B 59 -0.605 -8.615 13.439 1.00 1.86 H ATOM 2744 HB2 ARG B 59 -3.058 -9.874 12.215 1.00 2.22 H ATOM 2745 HB3 ARG B 59 -2.669 -10.033 13.919 1.00 2.21 H ATOM 2746 HG2 ARG B 59 -2.813 -7.632 14.205 1.00 2.07 H ATOM 2747 HG3 ARG B 59 -3.118 -7.428 12.481 1.00 2.08 H ATOM 2748 HD2 ARG B 59 -5.193 -8.641 12.660 1.00 2.05 H ATOM 2749 HD3 ARG B 59 -4.881 -8.998 14.355 1.00 2.23 H ATOM 2750 HE ARG B 59 -4.887 -6.383 14.479 1.00 2.71 H ATOM 2751 HH11 ARG B 59 -7.002 -8.439 12.595 1.00 2.48 H ATOM 2752 HH12 ARG B 59 -8.364 -7.373 12.716 1.00 3.10 H ATOM 2753 HH21 ARG B 59 -6.684 -4.968 14.645 1.00 3.82 H ATOM 2754 HH22 ARG B 59 -8.181 -5.393 13.880 1.00 3.85 H ATOM 2755 N ALA B 60 -0.508 -11.396 11.719 1.00 2.07 N ATOM 2756 CA ALA B 60 0.088 -12.718 11.661 1.00 2.24 C ATOM 2757 C ALA B 60 1.078 -12.806 10.512 1.00 2.12 C ATOM 2758 O ALA B 60 0.687 -12.872 9.346 1.00 2.38 O ATOM 2759 CB ALA B 60 -0.987 -13.786 11.525 1.00 2.58 C ATOM 2760 H ALA B 60 -0.994 -11.053 10.937 1.00 2.39 H ATOM 2761 HA ALA B 60 0.616 -12.885 12.589 1.00 2.37 H ATOM 2762 HB1 ALA B 60 -1.700 -13.688 12.332 1.00 2.87 H ATOM 2763 HB2 ALA B 60 -0.531 -14.765 11.567 1.00 2.75 H ATOM 2764 HB3 ALA B 60 -1.497 -13.669 10.579 1.00 2.96 H ATOM 2765 N SER B 61 2.361 -12.791 10.847 1.00 2.10 N ATOM 2766 CA SER B 61 3.414 -12.906 9.852 1.00 2.06 C ATOM 2767 C SER B 61 3.469 -14.328 9.299 1.00 2.12 C ATOM 2768 O SER B 61 3.866 -14.553 8.152 1.00 2.76 O ATOM 2769 CB SER B 61 4.754 -12.511 10.473 1.00 2.13 C ATOM 2770 OG SER B 61 4.896 -13.075 11.768 1.00 2.62 O ATOM 2771 H SER B 61 2.608 -12.701 11.790 1.00 2.34 H ATOM 2772 HA SER B 61 3.185 -12.226 9.046 1.00 2.10 H ATOM 2773 HB2 SER B 61 5.559 -12.870 9.846 1.00 2.35 H ATOM 2774 HB3 SER B 61 4.809 -11.436 10.554 1.00 2.34 H ATOM 2775 HG SER B 61 5.759 -13.503 11.839 1.00 3.01 H ATOM 2776 N ASN B 62 3.056 -15.281 10.128 1.00 1.95 N ATOM 2777 CA ASN B 62 2.972 -16.686 9.736 1.00 1.94 C ATOM 2778 C ASN B 62 1.693 -17.300 10.306 1.00 1.99 C ATOM 2779 O ASN B 62 1.745 -18.036 11.294 1.00 2.15 O ATOM 2780 CB ASN B 62 4.186 -17.481 10.247 1.00 2.11 C ATOM 2781 CG ASN B 62 5.491 -17.145 9.537 1.00 2.28 C ATOM 2782 OD1 ASN B 62 6.553 -17.120 10.158 1.00 2.59 O ATOM 2783 ND2 ASN B 62 5.432 -16.907 8.235 1.00 2.36 N ATOM 2784 H ASN B 62 2.787 -15.028 11.037 1.00 2.23 H ATOM 2785 HA ASN B 62 2.941 -16.733 8.658 1.00 1.94 H ATOM 2786 HB2 ASN B 62 4.319 -17.282 11.300 1.00 2.23 H ATOM 2787 HB3 ASN B 62 3.991 -18.536 10.113 1.00 2.19 H ATOM 2788 HD21 ASN B 62 4.560 -16.952 7.794 1.00 2.37 H ATOM 2789 HD22 ASN B 62 6.267 -16.703 7.766 1.00 2.57 H ATOM 2790 N PRO B 63 0.521 -16.979 9.721 1.00 2.07 N ATOM 2791 CA PRO B 63 -0.768 -17.522 10.177 1.00 2.32 C ATOM 2792 C PRO B 63 -0.784 -19.049 10.186 1.00 2.28 C ATOM 2793 O PRO B 63 -1.384 -19.670 11.062 1.00 2.57 O ATOM 2794 CB PRO B 63 -1.787 -16.980 9.163 1.00 2.52 C ATOM 2795 CG PRO B 63 -0.980 -16.460 8.019 1.00 2.43 C ATOM 2796 CD PRO B 63 0.350 -16.051 8.590 1.00 2.18 C ATOM 2797 HA PRO B 63 -1.014 -17.161 11.167 1.00 2.58 H ATOM 2798 HB2 PRO B 63 -2.440 -17.784 8.848 1.00 2.60 H ATOM 2799 HB3 PRO B 63 -2.374 -16.195 9.622 1.00 2.81 H ATOM 2800 HG2 PRO B 63 -0.851 -17.239 7.280 1.00 2.45 H ATOM 2801 HG3 PRO B 63 -1.478 -15.609 7.576 1.00 2.71 H ATOM 2802 HD2 PRO B 63 1.138 -16.182 7.858 1.00 2.17 H ATOM 2803 HD3 PRO B 63 0.319 -15.024 8.938 1.00 2.30 H ATOM 2804 N VAL B 64 -0.123 -19.648 9.206 1.00 2.06 N ATOM 2805 CA VAL B 64 0.002 -21.096 9.137 1.00 2.15 C ATOM 2806 C VAL B 64 1.473 -21.488 9.203 1.00 2.32 C ATOM 2807 O VAL B 64 2.348 -20.654 8.959 1.00 2.53 O ATOM 2808 CB VAL B 64 -0.627 -21.666 7.845 1.00 2.02 C ATOM 2809 CG1 VAL B 64 -2.120 -21.384 7.799 1.00 2.08 C ATOM 2810 CG2 VAL B 64 0.055 -21.099 6.610 1.00 1.93 C ATOM 2811 H VAL B 64 0.309 -19.098 8.516 1.00 1.95 H ATOM 2812 HA VAL B 64 -0.517 -21.516 9.988 1.00 2.40 H ATOM 2813 HB VAL B 64 -0.487 -22.735 7.841 1.00 2.13 H ATOM 2814 HG11 VAL B 64 -2.286 -20.318 7.835 1.00 2.36 H ATOM 2815 HG12 VAL B 64 -2.601 -21.851 8.647 1.00 2.32 H ATOM 2816 HG13 VAL B 64 -2.535 -21.783 6.885 1.00 2.32 H ATOM 2817 HG21 VAL B 64 -0.062 -20.024 6.597 1.00 2.25 H ATOM 2818 HG22 VAL B 64 -0.397 -21.520 5.725 1.00 2.12 H ATOM 2819 HG23 VAL B 64 1.104 -21.346 6.632 1.00 2.16 H ATOM 2820 N GLU B 65 1.744 -22.755 9.517 1.00 2.45 N ATOM 2821 CA GLU B 65 3.119 -23.241 9.672 1.00 2.81 C ATOM 2822 C GLU B 65 3.780 -23.454 8.313 1.00 3.04 C ATOM 2823 O GLU B 65 4.335 -24.516 8.030 1.00 3.58 O ATOM 2824 CB GLU B 65 3.137 -24.545 10.472 1.00 3.02 C ATOM 2825 CG GLU B 65 2.606 -24.401 11.887 1.00 3.42 C ATOM 2826 CD GLU B 65 2.643 -25.706 12.653 1.00 3.80 C ATOM 2827 OE1 GLU B 65 1.617 -26.413 12.684 1.00 4.18 O ATOM 2828 OE2 GLU B 65 3.702 -26.038 13.229 1.00 4.20 O1+ ATOM 2829 H GLU B 65 1.001 -23.384 9.647 1.00 2.41 H ATOM 2830 HA GLU B 65 3.674 -22.491 10.212 1.00 2.98 H ATOM 2831 HB2 GLU B 65 2.535 -25.277 9.958 1.00 3.22 H ATOM 2832 HB3 GLU B 65 4.154 -24.904 10.525 1.00 3.18 H ATOM 2833 HG2 GLU B 65 3.209 -23.678 12.412 1.00 3.77 H ATOM 2834 HG3 GLU B 65 1.585 -24.055 11.842 1.00 3.72 H ATOM 2835 N SER B 66 3.706 -22.428 7.485 1.00 2.89 N ATOM 2836 CA SER B 66 4.259 -22.447 6.138 1.00 3.23 C ATOM 2837 C SER B 66 4.429 -21.014 5.646 1.00 2.99 C ATOM 2838 O SER B 66 5.283 -20.725 4.808 1.00 3.29 O ATOM 2839 CB SER B 66 3.334 -23.213 5.182 1.00 3.50 C ATOM 2840 OG SER B 66 3.046 -24.512 5.674 1.00 3.90 O ATOM 2841 H SER B 66 3.274 -21.609 7.805 1.00 2.74 H ATOM 2842 HA SER B 66 5.225 -22.931 6.173 1.00 3.63 H ATOM 2843 HB2 SER B 66 2.406 -22.672 5.072 1.00 3.59 H ATOM 2844 HB3 SER B 66 3.813 -23.305 4.216 1.00 3.83 H ATOM 2845 HG SER B 66 3.619 -24.695 6.435 1.00 4.07 H ATOM 2846 N GLY B 67 3.607 -20.122 6.192 1.00 2.60 N ATOM 2847 CA GLY B 67 3.611 -18.737 5.779 1.00 2.42 C ATOM 2848 C GLY B 67 2.201 -18.206 5.660 1.00 2.01 C ATOM 2849 O GLY B 67 1.483 -18.142 6.656 1.00 2.17 O ATOM 2850 H GLY B 67 2.979 -20.411 6.884 1.00 2.55 H ATOM 2851 HA2 GLY B 67 4.151 -18.152 6.512 1.00 2.70 H ATOM 2852 HA3 GLY B 67 4.102 -18.654 4.824 1.00 2.43 H ATOM 2853 N CYS B 68 1.791 -17.848 4.453 1.00 1.67 N ATOM 2854 CA CYS B 68 0.424 -17.406 4.228 1.00 1.41 C ATOM 2855 C CYS B 68 -0.440 -18.613 3.865 1.00 1.33 C ATOM 2856 O CYS B 68 0.049 -19.590 3.292 1.00 1.74 O ATOM 2857 CB CYS B 68 0.364 -16.332 3.129 1.00 1.27 C ATOM 2858 SG CYS B 68 0.549 -16.956 1.428 1.00 1.41 S ATOM 2859 H CYS B 68 2.418 -17.887 3.695 1.00 1.76 H ATOM 2860 HA CYS B 68 0.060 -16.985 5.156 1.00 1.62 H ATOM 2861 HB2 CYS B 68 -0.588 -15.825 3.186 1.00 1.49 H ATOM 2862 HB3 CYS B 68 1.158 -15.614 3.302 1.00 1.40 H ATOM 2863 N ARG B 69 -1.716 -18.552 4.225 1.00 1.26 N ATOM 2864 CA ARG B 69 -2.621 -19.688 4.065 1.00 1.31 C ATOM 2865 C ARG B 69 -2.874 -20.000 2.592 1.00 1.28 C ATOM 2866 O ARG B 69 -3.410 -19.169 1.859 1.00 1.44 O ATOM 2867 CB ARG B 69 -3.952 -19.403 4.766 1.00 1.48 C ATOM 2868 CG ARG B 69 -4.943 -20.557 4.701 1.00 1.91 C ATOM 2869 CD ARG B 69 -6.335 -20.113 5.118 1.00 2.10 C ATOM 2870 NE ARG B 69 -6.867 -19.096 4.211 1.00 2.57 N ATOM 2871 CZ ARG B 69 -7.529 -18.009 4.611 1.00 3.04 C ATOM 2872 NH1 ARG B 69 -7.766 -17.804 5.903 1.00 2.99 N1+ ATOM 2873 NH2 ARG B 69 -7.962 -17.128 3.718 1.00 3.95 N ATOM 2874 H ARG B 69 -2.066 -17.714 4.600 1.00 1.52 H ATOM 2875 HA ARG B 69 -2.156 -20.545 4.530 1.00 1.42 H ATOM 2876 HB2 ARG B 69 -3.756 -19.186 5.808 1.00 1.72 H ATOM 2877 HB3 ARG B 69 -4.411 -18.537 4.308 1.00 1.71 H ATOM 2878 HG2 ARG B 69 -4.981 -20.929 3.689 1.00 2.25 H ATOM 2879 HG3 ARG B 69 -4.611 -21.342 5.364 1.00 2.24 H ATOM 2880 HD2 ARG B 69 -6.993 -20.971 5.112 1.00 2.42 H ATOM 2881 HD3 ARG B 69 -6.284 -19.702 6.116 1.00 2.34 H ATOM 2882 HE ARG B 69 -6.716 -19.230 3.251 1.00 2.93 H ATOM 2883 HH11 ARG B 69 -7.451 -18.466 6.585 1.00 2.79 H ATOM 2884 HH12 ARG B 69 -8.258 -16.981 6.201 1.00 3.48 H ATOM 2885 HH21 ARG B 69 -7.795 -17.276 2.741 1.00 4.35 H ATOM 2886 HH22 ARG B 69 -8.458 -16.308 4.016 1.00 4.40 H ATOM 2887 N GLY B 70 -2.493 -21.202 2.167 1.00 1.32 N ATOM 2888 CA GLY B 70 -2.759 -21.626 0.805 1.00 1.42 C ATOM 2889 C GLY B 70 -1.524 -22.158 0.109 1.00 1.41 C ATOM 2890 O GLY B 70 -1.623 -23.003 -0.780 1.00 1.60 O ATOM 2891 H GLY B 70 -2.023 -21.806 2.784 1.00 1.44 H ATOM 2892 HA2 GLY B 70 -3.512 -22.402 0.820 1.00 1.61 H ATOM 2893 HA3 GLY B 70 -3.137 -20.784 0.246 1.00 1.44 H ATOM 2894 N ILE B 71 -0.366 -21.666 0.522 1.00 1.32 N ATOM 2895 CA ILE B 71 0.903 -22.029 -0.097 1.00 1.42 C ATOM 2896 C ILE B 71 1.292 -23.473 0.218 1.00 1.57 C ATOM 2897 O ILE B 71 1.052 -23.964 1.324 1.00 1.64 O ATOM 2898 CB ILE B 71 2.024 -21.081 0.382 1.00 1.43 C ATOM 2899 CG1 ILE B 71 1.671 -19.630 0.049 1.00 1.35 C ATOM 2900 CG2 ILE B 71 3.364 -21.457 -0.231 1.00 1.65 C ATOM 2901 CD1 ILE B 71 1.395 -19.378 -1.422 1.00 1.25 C ATOM 2902 H ILE B 71 -0.362 -21.030 1.269 1.00 1.31 H ATOM 2903 HA ILE B 71 0.800 -21.917 -1.168 1.00 1.48 H ATOM 2904 HB ILE B 71 2.110 -21.181 1.455 1.00 1.46 H ATOM 2905 HG12 ILE B 71 0.786 -19.348 0.600 1.00 1.48 H ATOM 2906 HG13 ILE B 71 2.489 -18.993 0.347 1.00 1.46 H ATOM 2907 HG21 ILE B 71 3.625 -22.462 0.065 1.00 1.96 H ATOM 2908 HG22 ILE B 71 4.122 -20.770 0.114 1.00 1.95 H ATOM 2909 HG23 ILE B 71 3.294 -21.404 -1.308 1.00 2.04 H ATOM 2910 HD11 ILE B 71 0.524 -19.936 -1.725 1.00 1.56 H ATOM 2911 HD12 ILE B 71 2.247 -19.693 -2.007 1.00 1.71 H ATOM 2912 HD13 ILE B 71 1.221 -18.324 -1.579 1.00 1.59 H ATOM 2913 N ASP B 72 1.879 -24.148 -0.766 1.00 1.81 N ATOM 2914 CA ASP B 72 2.369 -25.509 -0.581 1.00 2.05 C ATOM 2915 C ASP B 72 3.648 -25.505 0.247 1.00 2.29 C ATOM 2916 O ASP B 72 4.640 -24.880 -0.129 1.00 3.02 O ATOM 2917 CB ASP B 72 2.630 -26.184 -1.928 1.00 2.74 C ATOM 2918 CG ASP B 72 3.124 -27.607 -1.768 1.00 2.82 C ATOM 2919 OD1 ASP B 72 2.283 -28.531 -1.724 1.00 3.14 O ATOM 2920 OD2 ASP B 72 4.350 -27.811 -1.682 1.00 3.32 O1+ ATOM 2921 H ASP B 72 1.991 -23.718 -1.638 1.00 1.93 H ATOM 2922 HA ASP B 72 1.610 -26.065 -0.049 1.00 2.10 H ATOM 2923 HB2 ASP B 72 1.714 -26.201 -2.498 1.00 3.12 H ATOM 2924 HB3 ASP B 72 3.377 -25.621 -2.469 1.00 3.22 H ATOM 2925 N SER B 73 3.614 -26.220 1.358 1.00 2.28 N ATOM 2926 CA SER B 73 4.697 -26.218 2.332 1.00 2.98 C ATOM 2927 C SER B 73 5.952 -26.925 1.810 1.00 2.65 C ATOM 2928 O SER B 73 7.052 -26.706 2.318 1.00 3.10 O ATOM 2929 CB SER B 73 4.218 -26.910 3.610 1.00 3.92 C ATOM 2930 OG SER B 73 2.893 -26.509 3.934 1.00 4.63 O ATOM 2931 H SER B 73 2.822 -26.763 1.543 1.00 2.23 H ATOM 2932 HA SER B 73 4.941 -25.192 2.558 1.00 3.49 H ATOM 2933 HB2 SER B 73 4.230 -27.982 3.464 1.00 4.29 H ATOM 2934 HB3 SER B 73 4.872 -26.647 4.428 1.00 4.18 H ATOM 2935 HG SER B 73 2.928 -25.735 4.516 1.00 4.99 H ATOM 2936 N LYS B 74 5.791 -27.766 0.801 1.00 2.20 N ATOM 2937 CA LYS B 74 6.893 -28.581 0.319 1.00 2.08 C ATOM 2938 C LYS B 74 7.687 -27.858 -0.764 1.00 2.00 C ATOM 2939 O LYS B 74 8.918 -27.878 -0.756 1.00 2.17 O ATOM 2940 CB LYS B 74 6.366 -29.914 -0.214 1.00 2.15 C ATOM 2941 CG LYS B 74 7.459 -30.859 -0.684 1.00 2.33 C ATOM 2942 CD LYS B 74 6.883 -32.177 -1.169 1.00 2.50 C ATOM 2943 CE LYS B 74 5.930 -31.978 -2.332 1.00 2.69 C ATOM 2944 NZ LYS B 74 5.427 -33.269 -2.870 1.00 3.06 N1+ ATOM 2945 H LYS B 74 4.915 -27.835 0.362 1.00 2.26 H ATOM 2946 HA LYS B 74 7.546 -28.773 1.156 1.00 2.23 H ATOM 2947 HB2 LYS B 74 5.806 -30.406 0.565 1.00 2.49 H ATOM 2948 HB3 LYS B 74 5.708 -29.719 -1.048 1.00 2.39 H ATOM 2949 HG2 LYS B 74 7.997 -30.396 -1.495 1.00 2.60 H ATOM 2950 HG3 LYS B 74 8.135 -31.050 0.138 1.00 2.69 H ATOM 2951 HD2 LYS B 74 7.692 -32.817 -1.485 1.00 2.70 H ATOM 2952 HD3 LYS B 74 6.351 -32.643 -0.355 1.00 2.66 H ATOM 2953 HE2 LYS B 74 5.091 -31.393 -1.991 1.00 2.80 H ATOM 2954 HE3 LYS B 74 6.444 -31.444 -3.116 1.00 2.80 H ATOM 2955 HZ1 LYS B 74 4.775 -33.098 -3.661 1.00 3.31 H ATOM 2956 HZ2 LYS B 74 4.925 -33.796 -2.129 1.00 3.33 H ATOM 2957 HZ3 LYS B 74 6.224 -33.846 -3.211 1.00 3.27 H ATOM 2958 N HIS B 75 6.984 -27.214 -1.683 1.00 1.88 N ATOM 2959 CA HIS B 75 7.633 -26.554 -2.812 1.00 1.91 C ATOM 2960 C HIS B 75 8.003 -25.115 -2.483 1.00 1.76 C ATOM 2961 O HIS B 75 8.946 -24.569 -3.053 1.00 1.86 O ATOM 2962 CB HIS B 75 6.732 -26.576 -4.050 1.00 2.06 C ATOM 2963 CG HIS B 75 6.507 -27.944 -4.616 1.00 2.43 C ATOM 2964 ND1 HIS B 75 7.363 -28.535 -5.519 1.00 3.01 N ATOM 2965 CD2 HIS B 75 5.509 -28.835 -4.410 1.00 2.91 C ATOM 2966 CE1 HIS B 75 6.903 -29.728 -5.843 1.00 3.51 C ATOM 2967 NE2 HIS B 75 5.778 -29.936 -5.185 1.00 3.44 N ATOM 2968 H HIS B 75 6.000 -27.185 -1.604 1.00 1.86 H ATOM 2969 HA HIS B 75 8.539 -27.100 -3.032 1.00 2.08 H ATOM 2970 HB2 HIS B 75 5.768 -26.161 -3.793 1.00 2.16 H ATOM 2971 HB3 HIS B 75 7.181 -25.967 -4.823 1.00 2.27 H ATOM 2972 HD1 HIS B 75 8.189 -28.136 -5.872 1.00 3.34 H ATOM 2973 HD2 HIS B 75 4.661 -28.704 -3.754 1.00 3.25 H ATOM 2974 HE1 HIS B 75 7.370 -30.418 -6.532 1.00 4.16 H ATOM 2975 HE2 HIS B 75 5.128 -30.642 -5.402 1.00 3.97 H ATOM 2976 N TRP B 76 7.267 -24.500 -1.569 1.00 1.65 N ATOM 2977 CA TRP B 76 7.472 -23.093 -1.267 1.00 1.54 C ATOM 2978 C TRP B 76 7.529 -22.848 0.234 1.00 1.63 C ATOM 2979 O TRP B 76 6.998 -23.621 1.032 1.00 1.75 O ATOM 2980 CB TRP B 76 6.346 -22.240 -1.863 1.00 1.42 C ATOM 2981 CG TRP B 76 6.274 -22.254 -3.358 1.00 1.56 C ATOM 2982 CD1 TRP B 76 5.377 -22.939 -4.125 1.00 1.71 C ATOM 2983 CD2 TRP B 76 7.124 -21.548 -4.269 1.00 1.96 C ATOM 2984 NE1 TRP B 76 5.616 -22.700 -5.456 1.00 2.03 N ATOM 2985 CE2 TRP B 76 6.683 -21.851 -5.570 1.00 2.23 C ATOM 2986 CE3 TRP B 76 8.216 -20.689 -4.113 1.00 2.34 C ATOM 2987 CZ2 TRP B 76 7.294 -21.328 -6.705 1.00 2.81 C ATOM 2988 CZ3 TRP B 76 8.820 -20.168 -5.241 1.00 2.96 C ATOM 2989 CH2 TRP B 76 8.358 -20.489 -6.522 1.00 3.17 C ATOM 2990 H TRP B 76 6.582 -25.003 -1.078 1.00 1.70 H ATOM 2991 HA TRP B 76 8.412 -22.793 -1.706 1.00 1.60 H ATOM 2992 HB2 TRP B 76 5.398 -22.603 -1.488 1.00 1.50 H ATOM 2993 HB3 TRP B 76 6.480 -21.213 -1.547 1.00 1.42 H ATOM 2994 HD1 TRP B 76 4.596 -23.572 -3.729 1.00 1.82 H ATOM 2995 HE1 TRP B 76 5.105 -23.080 -6.204 1.00 2.25 H ATOM 2996 HE3 TRP B 76 8.587 -20.428 -3.133 1.00 2.27 H ATOM 2997 HZ2 TRP B 76 6.950 -21.564 -7.700 1.00 3.07 H ATOM 2998 HZ3 TRP B 76 9.664 -19.502 -5.140 1.00 3.37 H ATOM 2999 HH2 TRP B 76 8.863 -20.060 -7.375 1.00 3.70 H ATOM 3000 N ASN B 77 8.201 -21.775 0.603 1.00 1.69 N ATOM 3001 CA ASN B 77 8.149 -21.259 1.957 1.00 1.80 C ATOM 3002 C ASN B 77 7.654 -19.828 1.892 1.00 1.61 C ATOM 3003 O ASN B 77 8.117 -19.046 1.057 1.00 1.51 O ATOM 3004 CB ASN B 77 9.524 -21.319 2.631 1.00 2.08 C ATOM 3005 CG ASN B 77 9.491 -20.887 4.089 1.00 2.31 C ATOM 3006 OD1 ASN B 77 10.426 -20.252 4.576 1.00 2.66 O ATOM 3007 ND2 ASN B 77 8.439 -21.259 4.806 1.00 2.70 N ATOM 3008 H ASN B 77 8.755 -21.309 -0.064 1.00 1.73 H ATOM 3009 HA ASN B 77 7.441 -21.850 2.516 1.00 1.91 H ATOM 3010 HB2 ASN B 77 9.893 -22.332 2.587 1.00 2.29 H ATOM 3011 HB3 ASN B 77 10.203 -20.672 2.099 1.00 2.12 H ATOM 3012 HD21 ASN B 77 7.739 -21.798 4.369 1.00 3.00 H ATOM 3013 HD22 ASN B 77 8.401 -20.982 5.746 1.00 2.94 H ATOM 3014 N SER B 78 6.724 -19.487 2.758 1.00 1.67 N ATOM 3015 CA SER B 78 6.038 -18.218 2.665 1.00 1.53 C ATOM 3016 C SER B 78 6.222 -17.386 3.929 1.00 1.58 C ATOM 3017 O SER B 78 6.551 -17.908 4.997 1.00 1.77 O ATOM 3018 CB SER B 78 4.551 -18.469 2.379 1.00 1.61 C ATOM 3019 OG SER B 78 3.780 -17.293 2.526 1.00 1.93 O ATOM 3020 H SER B 78 6.493 -20.105 3.489 1.00 1.87 H ATOM 3021 HA SER B 78 6.462 -17.675 1.834 1.00 1.50 H ATOM 3022 HB2 SER B 78 4.443 -18.823 1.365 1.00 2.01 H ATOM 3023 HB3 SER B 78 4.175 -19.219 3.059 1.00 1.85 H ATOM 3024 HG SER B 78 3.424 -17.032 1.664 1.00 2.16 H ATOM 3025 N TYR B 79 6.024 -16.086 3.785 1.00 1.51 N ATOM 3026 CA TYR B 79 6.102 -15.162 4.898 1.00 1.60 C ATOM 3027 C TYR B 79 5.269 -13.926 4.581 1.00 1.44 C ATOM 3028 O TYR B 79 5.296 -13.420 3.456 1.00 1.36 O ATOM 3029 CB TYR B 79 7.563 -14.779 5.175 1.00 1.88 C ATOM 3030 CG TYR B 79 7.750 -13.905 6.395 1.00 1.88 C ATOM 3031 CD1 TYR B 79 7.872 -12.527 6.276 1.00 1.92 C ATOM 3032 CD2 TYR B 79 7.807 -14.458 7.668 1.00 2.38 C ATOM 3033 CE1 TYR B 79 8.040 -11.725 7.387 1.00 2.32 C ATOM 3034 CE2 TYR B 79 7.976 -13.663 8.784 1.00 3.05 C ATOM 3035 CZ TYR B 79 8.092 -12.299 8.638 1.00 2.97 C ATOM 3036 OH TYR B 79 8.257 -11.502 9.746 1.00 3.73 O ATOM 3037 H TYR B 79 5.809 -15.735 2.894 1.00 1.46 H ATOM 3038 HA TYR B 79 5.690 -15.651 5.769 1.00 1.68 H ATOM 3039 HB2 TYR B 79 8.140 -15.682 5.325 1.00 2.20 H ATOM 3040 HB3 TYR B 79 7.956 -14.245 4.319 1.00 2.29 H ATOM 3041 HD1 TYR B 79 7.830 -12.080 5.293 1.00 1.98 H ATOM 3042 HD2 TYR B 79 7.716 -15.529 7.779 1.00 2.48 H ATOM 3043 HE1 TYR B 79 8.133 -10.656 7.273 1.00 2.36 H ATOM 3044 HE2 TYR B 79 8.017 -14.113 9.765 1.00 3.73 H ATOM 3045 HH TYR B 79 7.731 -10.700 9.642 1.00 4.07 H ATOM 3046 N CYS B 80 4.508 -13.463 5.556 1.00 1.46 N ATOM 3047 CA CYS B 80 3.670 -12.294 5.370 1.00 1.34 C ATOM 3048 C CYS B 80 4.431 -11.033 5.773 1.00 1.42 C ATOM 3049 O CYS B 80 4.722 -10.816 6.951 1.00 1.67 O ATOM 3050 CB CYS B 80 2.383 -12.448 6.180 1.00 1.42 C ATOM 3051 SG CYS B 80 1.446 -13.960 5.781 1.00 1.48 S ATOM 3052 H CYS B 80 4.503 -13.923 6.425 1.00 1.59 H ATOM 3053 HA CYS B 80 3.422 -12.229 4.320 1.00 1.22 H ATOM 3054 HB2 CYS B 80 2.627 -12.481 7.232 1.00 1.61 H ATOM 3055 HB3 CYS B 80 1.739 -11.598 5.988 1.00 1.39 H ATOM 3056 N THR B 81 4.758 -10.212 4.782 1.00 1.29 N ATOM 3057 CA THR B 81 5.607 -9.049 4.995 1.00 1.39 C ATOM 3058 C THR B 81 4.829 -7.754 4.775 1.00 1.25 C ATOM 3059 O THR B 81 4.072 -7.632 3.813 1.00 1.40 O ATOM 3060 CB THR B 81 6.820 -9.083 4.036 1.00 1.72 C ATOM 3061 OG1 THR B 81 7.471 -10.357 4.116 1.00 2.25 O ATOM 3062 CG2 THR B 81 7.820 -7.981 4.366 1.00 1.92 C ATOM 3063 H THR B 81 4.402 -10.387 3.880 1.00 1.23 H ATOM 3064 HA THR B 81 5.971 -9.079 6.011 1.00 1.56 H ATOM 3065 HB THR B 81 6.466 -8.933 3.026 1.00 1.95 H ATOM 3066 HG1 THR B 81 6.927 -11.019 3.677 1.00 2.49 H ATOM 3067 HG21 THR B 81 8.183 -8.112 5.375 1.00 2.15 H ATOM 3068 HG22 THR B 81 7.338 -7.020 4.278 1.00 2.16 H ATOM 3069 HG23 THR B 81 8.650 -8.032 3.676 1.00 2.46 H ATOM 3070 N THR B 82 5.002 -6.797 5.675 1.00 1.35 N ATOM 3071 CA THR B 82 4.378 -5.494 5.532 1.00 1.47 C ATOM 3072 C THR B 82 5.166 -4.589 4.598 1.00 1.37 C ATOM 3073 O THR B 82 6.351 -4.321 4.821 1.00 1.91 O ATOM 3074 CB THR B 82 4.235 -4.801 6.894 1.00 2.18 C ATOM 3075 OG1 THR B 82 5.293 -5.219 7.770 1.00 2.78 O ATOM 3076 CG2 THR B 82 2.887 -5.112 7.512 1.00 2.66 C ATOM 3077 H THR B 82 5.557 -6.971 6.467 1.00 1.56 H ATOM 3078 HA THR B 82 3.389 -5.642 5.125 1.00 1.53 H ATOM 3079 HB THR B 82 4.307 -3.734 6.744 1.00 2.46 H ATOM 3080 HG1 THR B 82 5.035 -5.048 8.684 1.00 3.00 H ATOM 3081 HG21 THR B 82 2.775 -6.180 7.609 1.00 3.09 H ATOM 3082 HG22 THR B 82 2.101 -4.723 6.880 1.00 2.96 H ATOM 3083 HG23 THR B 82 2.824 -4.655 8.488 1.00 2.98 H ATOM 3084 N THR B 83 4.508 -4.128 3.550 1.00 1.15 N ATOM 3085 CA THR B 83 5.094 -3.155 2.651 1.00 1.29 C ATOM 3086 C THR B 83 5.018 -1.767 3.275 1.00 1.00 C ATOM 3087 O THR B 83 4.192 -1.528 4.155 1.00 1.42 O ATOM 3088 CB THR B 83 4.372 -3.155 1.289 1.00 2.05 C ATOM 3089 OG1 THR B 83 2.952 -3.186 1.490 1.00 2.69 O ATOM 3090 CG2 THR B 83 4.797 -4.351 0.448 1.00 2.60 C ATOM 3091 H THR B 83 3.591 -4.442 3.380 1.00 1.29 H ATOM 3092 HA THR B 83 6.131 -3.419 2.494 1.00 1.67 H ATOM 3093 HB THR B 83 4.631 -2.251 0.758 1.00 2.56 H ATOM 3094 HG1 THR B 83 2.650 -4.101 1.498 1.00 3.17 H ATOM 3095 HG21 THR B 83 4.276 -4.329 -0.499 1.00 3.04 H ATOM 3096 HG22 THR B 83 4.554 -5.265 0.970 1.00 2.96 H ATOM 3097 HG23 THR B 83 5.862 -4.307 0.273 1.00 2.96 H ATOM 3098 N HIS B 84 5.878 -0.863 2.840 1.00 1.07 N ATOM 3099 CA HIS B 84 5.870 0.493 3.367 1.00 1.19 C ATOM 3100 C HIS B 84 5.896 1.509 2.238 1.00 1.16 C ATOM 3101 O HIS B 84 6.664 1.375 1.284 1.00 1.55 O ATOM 3102 CB HIS B 84 7.038 0.726 4.344 1.00 1.91 C ATOM 3103 CG HIS B 84 8.388 0.322 3.826 1.00 2.36 C ATOM 3104 ND1 HIS B 84 9.060 -0.792 4.281 1.00 2.96 N ATOM 3105 CD2 HIS B 84 9.201 0.896 2.906 1.00 3.02 C ATOM 3106 CE1 HIS B 84 10.221 -0.886 3.665 1.00 3.65 C ATOM 3107 NE2 HIS B 84 10.332 0.124 2.825 1.00 3.71 N ATOM 3108 H HIS B 84 6.521 -1.106 2.138 1.00 1.48 H ATOM 3109 HA HIS B 84 4.940 0.617 3.907 1.00 1.28 H ATOM 3110 HB2 HIS B 84 7.085 1.776 4.590 1.00 2.28 H ATOM 3111 HB3 HIS B 84 6.852 0.165 5.250 1.00 2.45 H ATOM 3112 HD1 HIS B 84 8.738 -1.418 4.969 1.00 3.23 H ATOM 3113 HD2 HIS B 84 8.997 1.793 2.338 1.00 3.38 H ATOM 3114 HE1 HIS B 84 10.955 -1.662 3.818 1.00 4.36 H ATOM 3115 HE2 HIS B 84 11.163 0.384 2.366 1.00 4.39 H ATOM 3116 N THR B 85 5.049 2.516 2.346 1.00 0.98 N ATOM 3117 CA THR B 85 4.960 3.544 1.326 1.00 1.03 C ATOM 3118 C THR B 85 5.234 4.908 1.945 1.00 0.97 C ATOM 3119 O THR B 85 5.264 5.037 3.167 1.00 0.94 O ATOM 3120 CB THR B 85 3.574 3.541 0.641 1.00 1.13 C ATOM 3121 OG1 THR B 85 3.597 4.391 -0.512 1.00 1.48 O ATOM 3122 CG2 THR B 85 2.482 4.008 1.597 1.00 1.09 C ATOM 3123 H THR B 85 4.464 2.573 3.138 1.00 1.04 H ATOM 3124 HA THR B 85 5.716 3.339 0.580 1.00 1.20 H ATOM 3125 HB THR B 85 3.347 2.530 0.328 1.00 1.29 H ATOM 3126 HG1 THR B 85 2.902 4.124 -1.122 1.00 1.61 H ATOM 3127 HG21 THR B 85 1.527 3.985 1.094 1.00 1.49 H ATOM 3128 HG22 THR B 85 2.695 5.017 1.920 1.00 1.40 H ATOM 3129 HG23 THR B 85 2.452 3.355 2.457 1.00 1.60 H ATOM 3130 N PHE B 86 5.427 5.916 1.109 1.00 1.08 N ATOM 3131 CA PHE B 86 5.793 7.240 1.587 1.00 1.06 C ATOM 3132 C PHE B 86 4.692 8.246 1.283 1.00 1.08 C ATOM 3133 O PHE B 86 4.368 8.496 0.123 1.00 1.21 O ATOM 3134 CB PHE B 86 7.115 7.694 0.957 1.00 1.21 C ATOM 3135 CG PHE B 86 8.273 6.789 1.270 1.00 1.20 C ATOM 3136 CD1 PHE B 86 8.963 6.913 2.464 1.00 1.70 C ATOM 3137 CD2 PHE B 86 8.666 5.811 0.371 1.00 1.66 C ATOM 3138 CE1 PHE B 86 10.026 6.080 2.756 1.00 1.67 C ATOM 3139 CE2 PHE B 86 9.729 4.975 0.657 1.00 1.75 C ATOM 3140 CZ PHE B 86 10.410 5.109 1.851 1.00 1.29 C ATOM 3141 H PHE B 86 5.290 5.775 0.148 1.00 1.22 H ATOM 3142 HA PHE B 86 5.919 7.177 2.659 1.00 0.96 H ATOM 3143 HB2 PHE B 86 7.003 7.732 -0.119 1.00 1.32 H ATOM 3144 HB3 PHE B 86 7.359 8.682 1.323 1.00 1.25 H ATOM 3145 HD1 PHE B 86 8.665 7.670 3.173 1.00 2.45 H ATOM 3146 HD2 PHE B 86 8.135 5.705 -0.563 1.00 2.34 H ATOM 3147 HE1 PHE B 86 10.556 6.189 3.691 1.00 2.36 H ATOM 3148 HE2 PHE B 86 10.027 4.216 -0.052 1.00 2.52 H ATOM 3149 HZ PHE B 86 11.239 4.456 2.076 1.00 1.36 H ATOM 3150 N VAL B 87 4.122 8.817 2.333 1.00 0.99 N ATOM 3151 CA VAL B 87 3.041 9.779 2.193 1.00 1.04 C ATOM 3152 C VAL B 87 3.494 11.173 2.611 1.00 1.05 C ATOM 3153 O VAL B 87 4.310 11.322 3.524 1.00 0.96 O ATOM 3154 CB VAL B 87 1.806 9.371 3.029 1.00 1.01 C ATOM 3155 CG1 VAL B 87 1.170 8.114 2.464 1.00 1.08 C ATOM 3156 CG2 VAL B 87 2.177 9.164 4.491 1.00 0.91 C ATOM 3157 H VAL B 87 4.450 8.591 3.234 1.00 0.90 H ATOM 3158 HA VAL B 87 2.752 9.804 1.150 1.00 1.17 H ATOM 3159 HB VAL B 87 1.080 10.168 2.975 1.00 1.07 H ATOM 3160 HG11 VAL B 87 0.835 8.301 1.455 1.00 1.50 H ATOM 3161 HG12 VAL B 87 0.327 7.832 3.078 1.00 1.38 H ATOM 3162 HG13 VAL B 87 1.895 7.314 2.462 1.00 1.59 H ATOM 3163 HG21 VAL B 87 2.601 10.073 4.888 1.00 1.43 H ATOM 3164 HG22 VAL B 87 2.897 8.363 4.571 1.00 1.38 H ATOM 3165 HG23 VAL B 87 1.291 8.906 5.051 1.00 1.24 H ATOM 3166 N LYS B 88 2.975 12.192 1.931 1.00 1.26 N ATOM 3167 CA LYS B 88 3.297 13.572 2.269 1.00 1.35 C ATOM 3168 C LYS B 88 2.491 14.033 3.479 1.00 1.22 C ATOM 3169 O LYS B 88 1.262 14.162 3.427 1.00 1.34 O ATOM 3170 CB LYS B 88 3.069 14.523 1.081 1.00 1.73 C ATOM 3171 CG LYS B 88 1.655 14.520 0.513 1.00 1.96 C ATOM 3172 CD LYS B 88 1.313 15.869 -0.099 1.00 2.50 C ATOM 3173 CE LYS B 88 -0.032 15.860 -0.807 1.00 3.13 C ATOM 3174 NZ LYS B 88 0.010 15.088 -2.078 1.00 3.82 N1+ ATOM 3175 H LYS B 88 2.371 12.009 1.185 1.00 1.40 H ATOM 3176 HA LYS B 88 4.346 13.598 2.535 1.00 1.38 H ATOM 3177 HB2 LYS B 88 3.293 15.532 1.399 1.00 2.13 H ATOM 3178 HB3 LYS B 88 3.749 14.251 0.288 1.00 2.10 H ATOM 3179 HG2 LYS B 88 1.579 13.759 -0.247 1.00 2.10 H ATOM 3180 HG3 LYS B 88 0.956 14.310 1.307 1.00 2.23 H ATOM 3181 HD2 LYS B 88 1.285 16.605 0.688 1.00 2.85 H ATOM 3182 HD3 LYS B 88 2.082 16.134 -0.809 1.00 2.62 H ATOM 3183 HE2 LYS B 88 -0.765 15.417 -0.150 1.00 3.36 H ATOM 3184 HE3 LYS B 88 -0.314 16.879 -1.024 1.00 3.47 H ATOM 3185 HZ1 LYS B 88 0.633 15.569 -2.766 1.00 4.13 H ATOM 3186 HZ2 LYS B 88 -0.945 15.017 -2.484 1.00 4.22 H ATOM 3187 HZ3 LYS B 88 0.376 14.132 -1.907 1.00 4.11 H ATOM 3188 N ALA B 89 3.188 14.249 4.577 1.00 1.10 N ATOM 3189 CA ALA B 89 2.573 14.732 5.797 1.00 1.08 C ATOM 3190 C ALA B 89 3.335 15.937 6.323 1.00 1.05 C ATOM 3191 O ALA B 89 4.543 16.054 6.111 1.00 1.04 O ATOM 3192 CB ALA B 89 2.533 13.630 6.844 1.00 1.13 C ATOM 3193 H ALA B 89 4.164 14.090 4.564 1.00 1.12 H ATOM 3194 HA ALA B 89 1.559 15.027 5.571 1.00 1.20 H ATOM 3195 HB1 ALA B 89 2.003 12.775 6.447 1.00 1.57 H ATOM 3196 HB2 ALA B 89 2.027 13.990 7.727 1.00 1.54 H ATOM 3197 HB3 ALA B 89 3.542 13.340 7.101 1.00 1.50 H ATOM 3198 N LEU B 90 2.632 16.836 6.991 1.00 1.11 N ATOM 3199 CA LEU B 90 3.286 17.958 7.637 1.00 1.11 C ATOM 3200 C LEU B 90 3.944 17.459 8.912 1.00 1.06 C ATOM 3201 O LEU B 90 3.265 17.110 9.873 1.00 1.11 O ATOM 3202 CB LEU B 90 2.282 19.068 7.962 1.00 1.24 C ATOM 3203 CG LEU B 90 2.898 20.393 8.420 1.00 1.30 C ATOM 3204 CD1 LEU B 90 3.529 21.125 7.246 1.00 1.45 C ATOM 3205 CD2 LEU B 90 1.852 21.266 9.092 1.00 1.44 C ATOM 3206 H LEU B 90 1.663 16.739 7.060 1.00 1.19 H ATOM 3207 HA LEU B 90 4.046 18.336 6.969 1.00 1.11 H ATOM 3208 HB2 LEU B 90 1.685 19.255 7.078 1.00 1.36 H ATOM 3209 HB3 LEU B 90 1.629 18.712 8.749 1.00 1.37 H ATOM 3210 HG LEU B 90 3.678 20.189 9.140 1.00 1.35 H ATOM 3211 HD11 LEU B 90 2.784 21.279 6.479 1.00 1.83 H ATOM 3212 HD12 LEU B 90 4.341 20.537 6.848 1.00 1.79 H ATOM 3213 HD13 LEU B 90 3.905 22.080 7.579 1.00 1.84 H ATOM 3214 HD21 LEU B 90 1.053 21.471 8.396 1.00 1.81 H ATOM 3215 HD22 LEU B 90 2.306 22.195 9.405 1.00 1.87 H ATOM 3216 HD23 LEU B 90 1.454 20.752 9.955 1.00 1.72 H ATOM 3217 N THR B 91 5.258 17.393 8.905 1.00 1.02 N ATOM 3218 CA THR B 91 5.989 16.846 10.029 1.00 0.99 C ATOM 3219 C THR B 91 7.023 17.844 10.517 1.00 1.06 C ATOM 3220 O THR B 91 7.411 18.752 9.785 1.00 1.15 O ATOM 3221 CB THR B 91 6.694 15.528 9.648 1.00 0.99 C ATOM 3222 OG1 THR B 91 7.698 15.782 8.663 1.00 1.08 O ATOM 3223 CG2 THR B 91 5.708 14.509 9.095 1.00 0.99 C ATOM 3224 H THR B 91 5.756 17.733 8.127 1.00 1.04 H ATOM 3225 HA THR B 91 5.287 16.645 10.824 1.00 1.00 H ATOM 3226 HB THR B 91 7.160 15.114 10.531 1.00 1.02 H ATOM 3227 HG1 THR B 91 7.311 16.276 7.934 1.00 1.25 H ATOM 3228 HG21 THR B 91 4.949 14.302 9.831 1.00 1.40 H ATOM 3229 HG22 THR B 91 6.232 13.597 8.852 1.00 1.44 H ATOM 3230 HG23 THR B 91 5.245 14.906 8.204 1.00 1.42 H ATOM 3231 N THR B 92 7.462 17.690 11.750 1.00 1.07 N ATOM 3232 CA THR B 92 8.488 18.553 12.284 1.00 1.17 C ATOM 3233 C THR B 92 9.649 17.724 12.827 1.00 1.18 C ATOM 3234 O THR B 92 9.462 16.802 13.624 1.00 1.12 O ATOM 3235 CB THR B 92 7.932 19.499 13.375 1.00 1.22 C ATOM 3236 OG1 THR B 92 8.969 20.359 13.849 1.00 1.32 O ATOM 3237 CG2 THR B 92 7.330 18.728 14.542 1.00 1.16 C ATOM 3238 H THR B 92 7.087 16.975 12.312 1.00 1.04 H ATOM 3239 HA THR B 92 8.856 19.160 11.471 1.00 1.27 H ATOM 3240 HB THR B 92 7.153 20.105 12.930 1.00 1.29 H ATOM 3241 HG1 THR B 92 9.211 20.979 13.148 1.00 1.63 H ATOM 3242 HG21 THR B 92 6.925 19.425 15.260 1.00 1.57 H ATOM 3243 HG22 THR B 92 8.098 18.134 15.013 1.00 1.45 H ATOM 3244 HG23 THR B 92 6.543 18.084 14.181 1.00 1.59 H ATOM 3245 N ASP B 93 10.847 18.027 12.352 1.00 1.33 N ATOM 3246 CA ASP B 93 12.042 17.327 12.796 1.00 1.45 C ATOM 3247 C ASP B 93 12.510 17.855 14.148 1.00 1.50 C ATOM 3248 O ASP B 93 13.275 17.189 14.845 1.00 1.77 O ATOM 3249 CB ASP B 93 13.160 17.438 11.754 1.00 1.64 C ATOM 3250 CG ASP B 93 13.516 18.871 11.425 1.00 1.92 C ATOM 3251 OD1 ASP B 93 14.460 19.406 12.030 1.00 2.46 O ATOM 3252 OD2 ASP B 93 12.848 19.473 10.556 1.00 2.40 O1+ ATOM 3253 H ASP B 93 10.931 18.736 11.674 1.00 1.42 H ATOM 3254 HA ASP B 93 11.779 16.285 12.911 1.00 1.47 H ATOM 3255 HB2 ASP B 93 14.045 16.950 12.132 1.00 1.93 H ATOM 3256 HB3 ASP B 93 12.845 16.947 10.845 1.00 1.99 H ATOM 3257 N GLU B 94 12.039 19.043 14.519 1.00 1.49 N ATOM 3258 CA GLU B 94 12.305 19.590 15.846 1.00 1.59 C ATOM 3259 C GLU B 94 11.368 20.758 16.170 1.00 1.55 C ATOM 3260 O GLU B 94 10.623 20.703 17.147 1.00 1.66 O ATOM 3261 CB GLU B 94 13.780 20.000 16.011 1.00 1.79 C ATOM 3262 CG GLU B 94 14.312 20.948 14.950 1.00 2.26 C ATOM 3263 CD GLU B 94 15.774 21.282 15.159 1.00 2.55 C ATOM 3264 OE1 GLU B 94 16.640 20.517 14.684 1.00 3.09 O ATOM 3265 OE2 GLU B 94 16.070 22.307 15.808 1.00 2.87 O1+ ATOM 3266 H GLU B 94 11.493 19.559 13.891 1.00 1.59 H ATOM 3267 HA GLU B 94 12.095 18.800 16.555 1.00 1.66 H ATOM 3268 HB2 GLU B 94 13.895 20.482 16.966 1.00 2.07 H ATOM 3269 HB3 GLU B 94 14.388 19.106 15.998 1.00 1.96 H ATOM 3270 HG2 GLU B 94 14.196 20.488 13.981 1.00 2.64 H ATOM 3271 HG3 GLU B 94 13.740 21.861 14.985 1.00 2.74 H ATOM 3272 N LYS B 95 11.387 21.806 15.352 1.00 1.56 N ATOM 3273 CA LYS B 95 10.579 22.990 15.627 1.00 1.62 C ATOM 3274 C LYS B 95 9.720 23.379 14.428 1.00 1.64 C ATOM 3275 O LYS B 95 8.510 23.559 14.555 1.00 2.06 O ATOM 3276 CB LYS B 95 11.472 24.166 16.027 1.00 1.80 C ATOM 3277 CG LYS B 95 12.275 23.924 17.292 1.00 2.07 C ATOM 3278 CD LYS B 95 13.069 25.153 17.689 1.00 2.23 C ATOM 3279 CE LYS B 95 13.954 24.872 18.892 1.00 2.76 C ATOM 3280 NZ LYS B 95 14.714 26.073 19.320 1.00 3.30 N1+ ATOM 3281 H LYS B 95 11.954 21.784 14.553 1.00 1.62 H ATOM 3282 HA LYS B 95 9.926 22.755 16.454 1.00 1.62 H ATOM 3283 HB2 LYS B 95 12.165 24.364 15.226 1.00 1.98 H ATOM 3284 HB3 LYS B 95 10.854 25.038 16.178 1.00 2.04 H ATOM 3285 HG2 LYS B 95 11.599 23.672 18.094 1.00 2.35 H ATOM 3286 HG3 LYS B 95 12.957 23.104 17.121 1.00 2.28 H ATOM 3287 HD2 LYS B 95 13.688 25.455 16.860 1.00 2.27 H ATOM 3288 HD3 LYS B 95 12.383 25.945 17.938 1.00 2.31 H ATOM 3289 HE2 LYS B 95 13.331 24.540 19.708 1.00 3.06 H ATOM 3290 HE3 LYS B 95 14.649 24.090 18.633 1.00 3.09 H ATOM 3291 HZ1 LYS B 95 15.314 26.414 18.541 1.00 3.60 H ATOM 3292 HZ2 LYS B 95 15.322 25.842 20.131 1.00 3.76 H ATOM 3293 HZ3 LYS B 95 14.062 26.832 19.596 1.00 3.53 H ATOM 3294 N GLN B 96 10.344 23.503 13.266 1.00 1.54 N ATOM 3295 CA GLN B 96 9.639 23.926 12.061 1.00 1.58 C ATOM 3296 C GLN B 96 8.832 22.773 11.474 1.00 1.45 C ATOM 3297 O GLN B 96 9.321 21.645 11.391 1.00 1.45 O ATOM 3298 CB GLN B 96 10.637 24.452 11.023 1.00 1.76 C ATOM 3299 CG GLN B 96 9.982 24.968 9.753 1.00 2.14 C ATOM 3300 CD GLN B 96 9.016 26.106 10.020 1.00 2.36 C ATOM 3301 OE1 GLN B 96 9.198 26.883 10.956 1.00 2.74 O ATOM 3302 NE2 GLN B 96 7.981 26.207 9.202 1.00 2.71 N ATOM 3303 H GLN B 96 11.301 23.295 13.211 1.00 1.71 H ATOM 3304 HA GLN B 96 8.961 24.723 12.334 1.00 1.66 H ATOM 3305 HB2 GLN B 96 11.205 25.258 11.460 1.00 1.79 H ATOM 3306 HB3 GLN B 96 11.312 23.655 10.755 1.00 2.10 H ATOM 3307 HG2 GLN B 96 10.755 25.320 9.085 1.00 2.50 H ATOM 3308 HG3 GLN B 96 9.444 24.159 9.284 1.00 2.55 H ATOM 3309 HE21 GLN B 96 7.897 25.550 8.477 1.00 2.95 H ATOM 3310 HE22 GLN B 96 7.339 26.933 9.353 1.00 3.02 H ATOM 3311 N ALA B 97 7.594 23.054 11.090 1.00 1.40 N ATOM 3312 CA ALA B 97 6.748 22.059 10.447 1.00 1.31 C ATOM 3313 C ALA B 97 6.884 22.157 8.933 1.00 1.32 C ATOM 3314 O ALA B 97 6.772 23.245 8.364 1.00 1.44 O ATOM 3315 CB ALA B 97 5.296 22.237 10.865 1.00 1.36 C ATOM 3316 H ALA B 97 7.240 23.960 11.236 1.00 1.49 H ATOM 3317 HA ALA B 97 7.077 21.082 10.770 1.00 1.25 H ATOM 3318 HB1 ALA B 97 4.940 23.200 10.534 1.00 1.80 H ATOM 3319 HB2 ALA B 97 5.219 22.175 11.940 1.00 1.65 H ATOM 3320 HB3 ALA B 97 4.695 21.459 10.418 1.00 1.68 H ATOM 3321 N ALA B 98 7.129 21.027 8.289 1.00 1.23 N ATOM 3322 CA ALA B 98 7.346 20.994 6.852 1.00 1.27 C ATOM 3323 C ALA B 98 6.733 19.741 6.236 1.00 1.15 C ATOM 3324 O ALA B 98 6.590 18.717 6.903 1.00 1.08 O ATOM 3325 CB ALA B 98 8.837 21.050 6.554 1.00 1.39 C ATOM 3326 H ALA B 98 7.167 20.184 8.794 1.00 1.17 H ATOM 3327 HA ALA B 98 6.879 21.868 6.420 1.00 1.38 H ATOM 3328 HB1 ALA B 98 9.322 20.191 6.993 1.00 1.70 H ATOM 3329 HB2 ALA B 98 9.255 21.952 6.971 1.00 1.79 H ATOM 3330 HB3 ALA B 98 8.990 21.042 5.486 1.00 1.76 H ATOM 3331 N TRP B 99 6.366 19.833 4.966 1.00 1.20 N ATOM 3332 CA TRP B 99 5.784 18.709 4.248 1.00 1.15 C ATOM 3333 C TRP B 99 6.859 17.690 3.895 1.00 1.14 C ATOM 3334 O TRP B 99 7.718 17.944 3.048 1.00 1.29 O ATOM 3335 CB TRP B 99 5.076 19.189 2.977 1.00 1.29 C ATOM 3336 CG TRP B 99 3.877 20.045 3.249 1.00 1.34 C ATOM 3337 CD1 TRP B 99 3.853 21.401 3.412 1.00 1.59 C ATOM 3338 CD2 TRP B 99 2.524 19.601 3.391 1.00 1.48 C ATOM 3339 NE1 TRP B 99 2.567 21.826 3.650 1.00 1.59 N ATOM 3340 CE2 TRP B 99 1.733 20.739 3.641 1.00 1.50 C ATOM 3341 CE3 TRP B 99 1.905 18.351 3.330 1.00 1.93 C ATOM 3342 CZ2 TRP B 99 0.355 20.660 3.829 1.00 1.74 C ATOM 3343 CZ3 TRP B 99 0.539 18.274 3.516 1.00 2.35 C ATOM 3344 CH2 TRP B 99 -0.223 19.423 3.763 1.00 2.18 C ATOM 3345 H TRP B 99 6.504 20.684 4.492 1.00 1.31 H ATOM 3346 HA TRP B 99 5.059 18.239 4.898 1.00 1.12 H ATOM 3347 HB2 TRP B 99 5.768 19.765 2.382 1.00 1.40 H ATOM 3348 HB3 TRP B 99 4.752 18.331 2.410 1.00 1.32 H ATOM 3349 HD1 TRP B 99 4.726 22.033 3.362 1.00 1.95 H ATOM 3350 HE1 TRP B 99 2.294 22.754 3.801 1.00 1.83 H ATOM 3351 HE3 TRP B 99 2.478 17.455 3.142 1.00 2.09 H ATOM 3352 HZ2 TRP B 99 -0.247 21.537 4.019 1.00 1.77 H ATOM 3353 HZ3 TRP B 99 0.043 17.317 3.473 1.00 2.87 H ATOM 3354 HH2 TRP B 99 -1.289 19.316 3.903 1.00 2.54 H ATOM 3355 N ARG B 100 6.808 16.544 4.554 1.00 1.07 N ATOM 3356 CA ARG B 100 7.799 15.497 4.358 1.00 1.18 C ATOM 3357 C ARG B 100 7.121 14.198 3.952 1.00 1.07 C ATOM 3358 O ARG B 100 5.937 13.991 4.229 1.00 1.11 O ATOM 3359 CB ARG B 100 8.590 15.277 5.651 1.00 1.34 C ATOM 3360 CG ARG B 100 9.329 16.509 6.149 1.00 1.50 C ATOM 3361 CD ARG B 100 10.520 16.854 5.272 1.00 1.82 C ATOM 3362 NE ARG B 100 11.530 15.794 5.277 1.00 2.30 N ATOM 3363 CZ ARG B 100 12.814 15.987 5.580 1.00 2.80 C ATOM 3364 NH1 ARG B 100 13.247 17.194 5.927 1.00 2.96 N1+ ATOM 3365 NH2 ARG B 100 13.669 14.971 5.533 1.00 3.48 N ATOM 3366 H ARG B 100 6.074 16.391 5.192 1.00 1.05 H ATOM 3367 HA ARG B 100 8.468 15.808 3.571 1.00 1.35 H ATOM 3368 HB2 ARG B 100 7.906 14.960 6.425 1.00 1.34 H ATOM 3369 HB3 ARG B 100 9.316 14.492 5.487 1.00 1.51 H ATOM 3370 HG2 ARG B 100 8.644 17.347 6.153 1.00 1.44 H ATOM 3371 HG3 ARG B 100 9.675 16.323 7.155 1.00 1.75 H ATOM 3372 HD2 ARG B 100 10.178 17.011 4.260 1.00 2.10 H ATOM 3373 HD3 ARG B 100 10.968 17.765 5.641 1.00 1.99 H ATOM 3374 HE ARG B 100 11.228 14.880 5.037 1.00 2.55 H ATOM 3375 HH11 ARG B 100 12.611 17.968 5.960 1.00 2.78 H ATOM 3376 HH12 ARG B 100 14.211 17.337 6.165 1.00 3.49 H ATOM 3377 HH21 ARG B 100 13.349 14.048 5.265 1.00 3.71 H ATOM 3378 HH22 ARG B 100 14.633 15.111 5.768 1.00 3.93 H ATOM 3379 N PHE B 101 7.871 13.336 3.289 1.00 1.05 N ATOM 3380 CA PHE B 101 7.372 12.027 2.898 1.00 1.01 C ATOM 3381 C PHE B 101 7.753 10.996 3.950 1.00 0.94 C ATOM 3382 O PHE B 101 8.935 10.702 4.136 1.00 0.99 O ATOM 3383 CB PHE B 101 7.940 11.611 1.536 1.00 1.13 C ATOM 3384 CG PHE B 101 7.475 12.462 0.390 1.00 1.23 C ATOM 3385 CD1 PHE B 101 8.136 13.638 0.063 1.00 1.70 C ATOM 3386 CD2 PHE B 101 6.383 12.078 -0.370 1.00 1.81 C ATOM 3387 CE1 PHE B 101 7.714 14.412 -1.000 1.00 1.81 C ATOM 3388 CE2 PHE B 101 5.956 12.849 -1.432 1.00 1.98 C ATOM 3389 CZ PHE B 101 6.621 14.018 -1.747 1.00 1.60 C ATOM 3390 H PHE B 101 8.795 13.581 3.067 1.00 1.14 H ATOM 3391 HA PHE B 101 6.293 12.086 2.834 1.00 0.99 H ATOM 3392 HB2 PHE B 101 9.017 11.666 1.571 1.00 1.18 H ATOM 3393 HB3 PHE B 101 7.648 10.592 1.330 1.00 1.18 H ATOM 3394 HD1 PHE B 101 8.987 13.948 0.647 1.00 2.38 H ATOM 3395 HD2 PHE B 101 5.862 11.165 -0.125 1.00 2.49 H ATOM 3396 HE1 PHE B 101 8.234 15.326 -1.244 1.00 2.48 H ATOM 3397 HE2 PHE B 101 5.102 12.540 -2.017 1.00 2.75 H ATOM 3398 HZ PHE B 101 6.290 14.620 -2.578 1.00 1.78 H ATOM 3399 N ILE B 102 6.760 10.440 4.627 1.00 0.86 N ATOM 3400 CA ILE B 102 7.015 9.490 5.701 1.00 0.79 C ATOM 3401 C ILE B 102 6.514 8.104 5.327 1.00 0.76 C ATOM 3402 O ILE B 102 5.521 7.965 4.608 1.00 0.79 O ATOM 3403 CB ILE B 102 6.352 9.925 7.028 1.00 0.74 C ATOM 3404 CG1 ILE B 102 4.851 10.162 6.838 1.00 0.75 C ATOM 3405 CG2 ILE B 102 7.028 11.174 7.572 1.00 0.80 C ATOM 3406 CD1 ILE B 102 4.103 10.417 8.129 1.00 0.75 C ATOM 3407 H ILE B 102 5.830 10.670 4.393 1.00 0.85 H ATOM 3408 HA ILE B 102 8.085 9.443 5.855 1.00 0.81 H ATOM 3409 HB ILE B 102 6.493 9.133 7.749 1.00 0.70 H ATOM 3410 HG12 ILE B 102 4.709 11.019 6.202 1.00 0.81 H ATOM 3411 HG13 ILE B 102 4.415 9.295 6.369 1.00 0.73 H ATOM 3412 HG21 ILE B 102 6.556 11.461 8.499 1.00 1.26 H ATOM 3413 HG22 ILE B 102 6.932 11.975 6.855 1.00 1.33 H ATOM 3414 HG23 ILE B 102 8.074 10.970 7.749 1.00 1.31 H ATOM 3415 HD11 ILE B 102 3.051 10.538 7.918 1.00 1.24 H ATOM 3416 HD12 ILE B 102 4.483 11.316 8.595 1.00 1.30 H ATOM 3417 HD13 ILE B 102 4.243 9.581 8.799 1.00 1.26 H ATOM 3418 N ARG B 103 7.210 7.084 5.812 1.00 0.74 N ATOM 3419 CA ARG B 103 6.876 5.710 5.472 1.00 0.75 C ATOM 3420 C ARG B 103 5.838 5.135 6.430 1.00 0.68 C ATOM 3421 O ARG B 103 5.973 5.223 7.653 1.00 0.72 O ATOM 3422 CB ARG B 103 8.130 4.819 5.451 1.00 0.85 C ATOM 3423 CG ARG B 103 8.847 4.712 6.789 1.00 0.86 C ATOM 3424 CD ARG B 103 10.033 3.758 6.715 1.00 1.23 C ATOM 3425 NE ARG B 103 10.665 3.573 8.020 1.00 1.99 N ATOM 3426 CZ ARG B 103 11.769 2.857 8.218 1.00 2.70 C ATOM 3427 NH1 ARG B 103 12.352 2.233 7.201 1.00 2.75 N1+ ATOM 3428 NH2 ARG B 103 12.288 2.760 9.435 1.00 3.72 N ATOM 3429 H ARG B 103 7.965 7.264 6.417 1.00 0.75 H ATOM 3430 HA ARG B 103 6.445 5.723 4.478 1.00 0.80 H ATOM 3431 HB2 ARG B 103 7.842 3.824 5.146 1.00 0.90 H ATOM 3432 HB3 ARG B 103 8.824 5.219 4.726 1.00 0.94 H ATOM 3433 HG2 ARG B 103 9.203 5.689 7.075 1.00 1.01 H ATOM 3434 HG3 ARG B 103 8.152 4.351 7.529 1.00 1.00 H ATOM 3435 HD2 ARG B 103 9.689 2.799 6.353 1.00 1.68 H ATOM 3436 HD3 ARG B 103 10.763 4.161 6.028 1.00 1.63 H ATOM 3437 HE ARG B 103 10.239 4.012 8.794 1.00 2.37 H ATOM 3438 HH11 ARG B 103 11.964 2.298 6.279 1.00 2.46 H ATOM 3439 HH12 ARG B 103 13.181 1.690 7.352 1.00 3.38 H ATOM 3440 HH21 ARG B 103 11.847 3.227 10.207 1.00 4.07 H ATOM 3441 HH22 ARG B 103 13.121 2.224 9.590 1.00 4.28 H ATOM 3442 N ILE B 104 4.793 4.564 5.854 1.00 0.65 N ATOM 3443 CA ILE B 104 3.747 3.901 6.616 1.00 0.62 C ATOM 3444 C ILE B 104 3.498 2.504 6.056 1.00 0.65 C ATOM 3445 O ILE B 104 3.782 2.242 4.878 1.00 0.74 O ATOM 3446 CB ILE B 104 2.425 4.701 6.583 1.00 0.64 C ATOM 3447 CG1 ILE B 104 1.996 4.971 5.138 1.00 0.70 C ATOM 3448 CG2 ILE B 104 2.568 6.008 7.352 1.00 0.65 C ATOM 3449 CD1 ILE B 104 0.656 5.663 5.017 1.00 0.83 C ATOM 3450 H ILE B 104 4.720 4.596 4.874 1.00 0.70 H ATOM 3451 HA ILE B 104 4.078 3.817 7.641 1.00 0.61 H ATOM 3452 HB ILE B 104 1.663 4.112 7.070 1.00 0.66 H ATOM 3453 HG12 ILE B 104 2.732 5.599 4.664 1.00 0.75 H ATOM 3454 HG13 ILE B 104 1.934 4.034 4.608 1.00 0.76 H ATOM 3455 HG21 ILE B 104 2.816 5.796 8.381 1.00 1.17 H ATOM 3456 HG22 ILE B 104 1.637 6.554 7.308 1.00 1.25 H ATOM 3457 HG23 ILE B 104 3.353 6.602 6.907 1.00 1.22 H ATOM 3458 HD11 ILE B 104 -0.114 5.038 5.441 1.00 1.35 H ATOM 3459 HD12 ILE B 104 0.441 5.847 3.974 1.00 1.36 H ATOM 3460 HD13 ILE B 104 0.691 6.604 5.548 1.00 1.31 H ATOM 3461 N ASP B 105 2.991 1.611 6.903 1.00 0.68 N ATOM 3462 CA ASP B 105 2.663 0.252 6.481 1.00 0.74 C ATOM 3463 C ASP B 105 1.520 0.278 5.480 1.00 0.73 C ATOM 3464 O ASP B 105 0.444 0.805 5.756 1.00 0.82 O ATOM 3465 CB ASP B 105 2.285 -0.632 7.676 1.00 0.91 C ATOM 3466 CG ASP B 105 3.464 -0.951 8.575 1.00 1.11 C ATOM 3467 OD1 ASP B 105 3.504 -0.439 9.711 1.00 1.69 O ATOM 3468 OD2 ASP B 105 4.355 -1.720 8.157 1.00 1.68 O1+ ATOM 3469 H ASP B 105 2.825 1.877 7.831 1.00 0.72 H ATOM 3470 HA ASP B 105 3.538 -0.163 5.997 1.00 0.83 H ATOM 3471 HB2 ASP B 105 1.536 -0.121 8.271 1.00 1.15 H ATOM 3472 HB3 ASP B 105 1.873 -1.563 7.310 1.00 1.16 H ATOM 3473 N THR B 106 1.764 -0.296 4.319 1.00 0.83 N ATOM 3474 CA THR B 106 0.834 -0.218 3.212 1.00 0.99 C ATOM 3475 C THR B 106 -0.091 -1.431 3.184 1.00 0.91 C ATOM 3476 O THR B 106 -1.314 -1.289 3.217 1.00 1.02 O ATOM 3477 CB THR B 106 1.612 -0.121 1.891 1.00 1.37 C ATOM 3478 OG1 THR B 106 2.770 0.696 2.098 1.00 2.29 O ATOM 3479 CG2 THR B 106 0.760 0.489 0.793 1.00 1.35 C ATOM 3480 H THR B 106 2.603 -0.796 4.204 1.00 0.92 H ATOM 3481 HA THR B 106 0.241 0.677 3.329 1.00 1.10 H ATOM 3482 HB THR B 106 1.922 -1.112 1.589 1.00 2.01 H ATOM 3483 HG1 THR B 106 2.790 0.986 3.018 1.00 2.65 H ATOM 3484 HG21 THR B 106 -0.135 -0.097 0.669 1.00 1.77 H ATOM 3485 HG22 THR B 106 1.318 0.499 -0.131 1.00 1.88 H ATOM 3486 HG23 THR B 106 0.496 1.502 1.065 1.00 1.82 H ATOM 3487 N ALA B 107 0.498 -2.619 3.131 1.00 0.89 N ATOM 3488 CA ALA B 107 -0.266 -3.857 3.093 1.00 0.95 C ATOM 3489 C ALA B 107 0.621 -5.042 3.447 1.00 0.90 C ATOM 3490 O ALA B 107 1.846 -4.969 3.323 1.00 0.97 O ATOM 3491 CB ALA B 107 -0.879 -4.058 1.713 1.00 1.15 C ATOM 3492 H ALA B 107 1.478 -2.667 3.115 1.00 0.94 H ATOM 3493 HA ALA B 107 -1.065 -3.782 3.813 1.00 1.07 H ATOM 3494 HB1 ALA B 107 -1.475 -4.958 1.713 1.00 1.48 H ATOM 3495 HB2 ALA B 107 -0.090 -4.149 0.980 1.00 1.64 H ATOM 3496 HB3 ALA B 107 -1.501 -3.211 1.468 1.00 1.61 H ATOM 3497 N CYS B 108 0.006 -6.130 3.884 1.00 0.94 N ATOM 3498 CA CYS B 108 0.747 -7.343 4.191 1.00 0.98 C ATOM 3499 C CYS B 108 0.703 -8.291 2.998 1.00 0.94 C ATOM 3500 O CYS B 108 -0.370 -8.716 2.568 1.00 1.05 O ATOM 3501 CB CYS B 108 0.188 -8.035 5.443 1.00 1.21 C ATOM 3502 SG CYS B 108 1.072 -9.570 5.874 1.00 1.56 S ATOM 3503 H CYS B 108 -0.967 -6.122 3.987 1.00 1.02 H ATOM 3504 HA CYS B 108 1.776 -7.065 4.371 1.00 1.00 H ATOM 3505 HB2 CYS B 108 0.264 -7.362 6.288 1.00 1.37 H ATOM 3506 HB3 CYS B 108 -0.850 -8.288 5.277 1.00 1.60 H ATOM 3507 N VAL B 109 1.873 -8.604 2.462 1.00 0.88 N ATOM 3508 CA VAL B 109 1.977 -9.425 1.267 1.00 0.90 C ATOM 3509 C VAL B 109 2.511 -10.812 1.605 1.00 0.90 C ATOM 3510 O VAL B 109 3.242 -10.986 2.580 1.00 1.00 O ATOM 3511 CB VAL B 109 2.901 -8.767 0.213 1.00 0.99 C ATOM 3512 CG1 VAL B 109 2.417 -7.365 -0.124 1.00 1.04 C ATOM 3513 CG2 VAL B 109 4.348 -8.730 0.692 1.00 1.08 C ATOM 3514 H VAL B 109 2.697 -8.279 2.889 1.00 0.91 H ATOM 3515 HA VAL B 109 0.987 -9.520 0.842 1.00 0.95 H ATOM 3516 HB VAL B 109 2.862 -9.360 -0.690 1.00 1.08 H ATOM 3517 HG11 VAL B 109 1.417 -7.417 -0.528 1.00 1.44 H ATOM 3518 HG12 VAL B 109 3.077 -6.922 -0.853 1.00 1.46 H ATOM 3519 HG13 VAL B 109 2.412 -6.762 0.773 1.00 1.50 H ATOM 3520 HG21 VAL B 109 4.697 -9.739 0.867 1.00 1.49 H ATOM 3521 HG22 VAL B 109 4.408 -8.164 1.610 1.00 1.50 H ATOM 3522 HG23 VAL B 109 4.965 -8.262 -0.060 1.00 1.53 H ATOM 3523 N CYS B 110 2.131 -11.791 0.800 1.00 0.90 N ATOM 3524 CA CYS B 110 2.633 -13.148 0.957 1.00 0.95 C ATOM 3525 C CYS B 110 3.828 -13.361 0.036 1.00 0.96 C ATOM 3526 O CYS B 110 3.681 -13.378 -1.188 1.00 0.96 O ATOM 3527 CB CYS B 110 1.532 -14.174 0.650 1.00 0.99 C ATOM 3528 SG CYS B 110 2.106 -15.902 0.657 1.00 1.45 S ATOM 3529 H CYS B 110 1.507 -11.595 0.073 1.00 0.92 H ATOM 3530 HA CYS B 110 2.956 -13.270 1.981 1.00 1.04 H ATOM 3531 HB2 CYS B 110 0.749 -14.087 1.387 1.00 1.18 H ATOM 3532 HB3 CYS B 110 1.119 -13.970 -0.327 1.00 1.28 H ATOM 3533 N VAL B 111 5.014 -13.485 0.621 1.00 1.08 N ATOM 3534 CA VAL B 111 6.224 -13.698 -0.162 1.00 1.19 C ATOM 3535 C VAL B 111 6.523 -15.188 -0.273 1.00 1.23 C ATOM 3536 O VAL B 111 6.131 -15.969 0.596 1.00 1.28 O ATOM 3537 CB VAL B 111 7.441 -12.969 0.452 1.00 1.38 C ATOM 3538 CG1 VAL B 111 7.138 -11.493 0.648 1.00 1.40 C ATOM 3539 CG2 VAL B 111 7.871 -13.609 1.763 1.00 1.52 C ATOM 3540 H VAL B 111 5.077 -13.435 1.603 1.00 1.16 H ATOM 3541 HA VAL B 111 6.051 -13.301 -1.153 1.00 1.18 H ATOM 3542 HB VAL B 111 8.264 -13.050 -0.240 1.00 1.49 H ATOM 3543 HG11 VAL B 111 7.018 -11.019 -0.313 1.00 1.79 H ATOM 3544 HG12 VAL B 111 7.954 -11.030 1.181 1.00 1.74 H ATOM 3545 HG13 VAL B 111 6.229 -11.385 1.222 1.00 1.69 H ATOM 3546 HG21 VAL B 111 8.748 -13.104 2.140 1.00 1.82 H ATOM 3547 HG22 VAL B 111 8.099 -14.653 1.597 1.00 2.00 H ATOM 3548 HG23 VAL B 111 7.070 -13.527 2.482 1.00 1.75 H ATOM 3549 N LEU B 112 7.211 -15.583 -1.337 1.00 1.27 N ATOM 3550 CA LEU B 112 7.516 -16.988 -1.557 1.00 1.35 C ATOM 3551 C LEU B 112 9.000 -17.209 -1.797 1.00 1.56 C ATOM 3552 O LEU B 112 9.657 -16.434 -2.490 1.00 1.67 O ATOM 3553 CB LEU B 112 6.725 -17.541 -2.749 1.00 1.35 C ATOM 3554 CG LEU B 112 5.203 -17.583 -2.578 1.00 1.24 C ATOM 3555 CD1 LEU B 112 4.551 -18.249 -3.779 1.00 1.41 C ATOM 3556 CD2 LEU B 112 4.827 -18.313 -1.300 1.00 1.22 C ATOM 3557 H LEU B 112 7.528 -14.918 -1.983 1.00 1.31 H ATOM 3558 HA LEU B 112 7.228 -17.528 -0.666 1.00 1.33 H ATOM 3559 HB2 LEU B 112 6.951 -16.930 -3.613 1.00 1.45 H ATOM 3560 HB3 LEU B 112 7.071 -18.546 -2.945 1.00 1.44 H ATOM 3561 HG LEU B 112 4.826 -16.572 -2.510 1.00 1.18 H ATOM 3562 HD11 LEU B 112 4.951 -19.245 -3.900 1.00 1.86 H ATOM 3563 HD12 LEU B 112 4.752 -17.668 -4.667 1.00 1.74 H ATOM 3564 HD13 LEU B 112 3.484 -18.307 -3.618 1.00 1.74 H ATOM 3565 HD21 LEU B 112 5.270 -19.298 -1.303 1.00 1.60 H ATOM 3566 HD22 LEU B 112 3.752 -18.405 -1.245 1.00 1.63 H ATOM 3567 HD23 LEU B 112 5.183 -17.758 -0.448 1.00 1.57 H ATOM 3568 N SER B 113 9.511 -18.274 -1.210 1.00 1.69 N ATOM 3569 CA SER B 113 10.864 -18.733 -1.465 1.00 1.94 C ATOM 3570 C SER B 113 10.811 -20.206 -1.854 1.00 2.01 C ATOM 3571 O SER B 113 9.992 -20.955 -1.324 1.00 2.20 O ATOM 3572 CB SER B 113 11.734 -18.515 -0.224 1.00 2.20 C ATOM 3573 OG SER B 113 11.090 -18.996 0.945 1.00 2.62 O ATOM 3574 H SER B 113 8.956 -18.776 -0.572 1.00 1.65 H ATOM 3575 HA SER B 113 11.262 -18.161 -2.291 1.00 2.14 H ATOM 3576 HB2 SER B 113 12.669 -19.043 -0.346 1.00 2.55 H ATOM 3577 HB3 SER B 113 11.931 -17.459 -0.104 1.00 2.50 H ATOM 3578 HG SER B 113 10.186 -18.658 0.973 1.00 3.01 H ATOM 3579 N ARG B 114 11.660 -20.621 -2.787 1.00 2.21 N ATOM 3580 CA ARG B 114 11.582 -21.978 -3.330 1.00 2.43 C ATOM 3581 C ARG B 114 12.265 -23.004 -2.420 1.00 2.31 C ATOM 3582 O ARG B 114 12.414 -24.172 -2.793 1.00 2.57 O ATOM 3583 CB ARG B 114 12.140 -22.026 -4.764 1.00 3.05 C ATOM 3584 CG ARG B 114 13.584 -21.559 -4.924 1.00 3.62 C ATOM 3585 CD ARG B 114 14.575 -22.663 -4.599 1.00 4.27 C ATOM 3586 NE ARG B 114 15.954 -22.251 -4.838 1.00 5.02 N ATOM 3587 CZ ARG B 114 17.010 -23.031 -4.622 1.00 5.88 C ATOM 3588 NH1 ARG B 114 16.846 -24.267 -4.166 1.00 6.19 N1+ ATOM 3589 NH2 ARG B 114 18.231 -22.574 -4.867 1.00 6.72 N ATOM 3590 H ARG B 114 12.345 -20.004 -3.123 1.00 2.44 H ATOM 3591 HA ARG B 114 10.533 -22.232 -3.373 1.00 2.68 H ATOM 3592 HB2 ARG B 114 12.082 -23.043 -5.119 1.00 3.49 H ATOM 3593 HB3 ARG B 114 11.517 -21.406 -5.393 1.00 3.13 H ATOM 3594 HG2 ARG B 114 13.739 -21.242 -5.944 1.00 3.94 H ATOM 3595 HG3 ARG B 114 13.756 -20.726 -4.259 1.00 3.82 H ATOM 3596 HD2 ARG B 114 14.466 -22.931 -3.558 1.00 4.44 H ATOM 3597 HD3 ARG B 114 14.352 -23.523 -5.214 1.00 4.51 H ATOM 3598 HE ARG B 114 16.100 -21.337 -5.177 1.00 5.12 H ATOM 3599 HH11 ARG B 114 15.924 -24.618 -3.979 1.00 5.79 H ATOM 3600 HH12 ARG B 114 17.642 -24.856 -4.013 1.00 6.99 H ATOM 3601 HH21 ARG B 114 18.359 -21.644 -5.218 1.00 6.79 H ATOM 3602 HH22 ARG B 114 19.033 -23.156 -4.691 1.00 7.45 H