ATOM 165 N VAL A 12 -14.828 1.087 -1.226 1.00 0.00 N ATOM 166 CA VAL A 12 -13.669 0.392 -1.855 1.00 0.00 C ATOM 167 C VAL A 12 -13.456 -0.967 -1.187 1.00 0.00 C ATOM 168 O VAL A 12 -13.743 -1.150 -0.019 1.00 0.00 O ATOM 169 CB VAL A 12 -12.410 1.243 -1.692 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.335 0.757 -2.666 1.00 0.00 C ATOM 171 CG2 VAL A 12 -12.741 2.706 -1.992 1.00 0.00 C ATOM 172 H VAL A 12 -14.681 1.726 -0.497 1.00 0.00 H ATOM 173 HA VAL A 12 -13.867 0.246 -2.907 1.00 0.00 H ATOM 174 HB VAL A 12 -12.043 1.156 -0.678 1.00 0.00 H ATOM 175 HG11 VAL A 12 -11.731 0.766 -3.670 1.00 0.00 H ATOM 176 HG12 VAL A 12 -10.476 1.409 -2.610 1.00 0.00 H ATOM 177 HG13 VAL A 12 -11.042 -0.249 -2.405 1.00 0.00 H ATOM 178 HG21 VAL A 12 -13.572 2.752 -2.681 1.00 0.00 H ATOM 179 HG22 VAL A 12 -13.006 3.210 -1.074 1.00 0.00 H ATOM 180 HG23 VAL A 12 -11.880 3.186 -2.432 1.00 0.00 H ATOM 181 N GLU A 13 -12.951 -1.922 -1.919 1.00 0.00 N ATOM 182 CA GLU A 13 -12.715 -3.270 -1.332 1.00 0.00 C ATOM 183 C GLU A 13 -11.248 -3.658 -1.525 1.00 0.00 C ATOM 184 O GLU A 13 -10.508 -2.995 -2.226 1.00 0.00 O ATOM 185 CB GLU A 13 -13.610 -4.294 -2.034 1.00 0.00 C ATOM 186 CG GLU A 13 -15.003 -4.275 -1.401 1.00 0.00 C ATOM 187 CD GLU A 13 -15.826 -5.444 -1.943 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.279 -5.349 -3.072 1.00 0.00 O ATOM 189 OE2 GLU A 13 -15.988 -6.414 -1.222 1.00 0.00 O ATOM 190 H GLU A 13 -12.726 -1.751 -2.857 1.00 0.00 H ATOM 191 HA GLU A 13 -12.948 -3.251 -0.278 1.00 0.00 H ATOM 192 HB2 GLU A 13 -13.688 -4.044 -3.083 1.00 0.00 H ATOM 193 HB3 GLU A 13 -13.183 -5.279 -1.929 1.00 0.00 H ATOM 194 HG2 GLU A 13 -14.910 -4.365 -0.327 1.00 0.00 H ATOM 195 HG3 GLU A 13 -15.496 -3.346 -1.642 1.00 0.00 H ATOM 196 N CYS A 14 -10.821 -4.727 -0.909 1.00 0.00 N ATOM 197 CA CYS A 14 -9.404 -5.155 -1.056 1.00 0.00 C ATOM 198 C CYS A 14 -9.254 -6.007 -2.326 1.00 0.00 C ATOM 199 O CYS A 14 -9.824 -7.074 -2.417 1.00 0.00 O ATOM 200 CB CYS A 14 -8.995 -5.994 0.159 1.00 0.00 C ATOM 201 SG CYS A 14 -7.234 -6.395 0.042 1.00 0.00 S ATOM 202 H CYS A 14 -11.433 -5.246 -0.350 1.00 0.00 H ATOM 203 HA CYS A 14 -8.771 -4.285 -1.118 1.00 0.00 H ATOM 204 HB2 CYS A 14 -9.177 -5.432 1.063 1.00 0.00 H ATOM 205 HB3 CYS A 14 -9.572 -6.907 0.178 1.00 0.00 H ATOM 206 N PRO A 15 -8.486 -5.516 -3.267 1.00 0.00 N ATOM 207 CA PRO A 15 -8.239 -6.226 -4.534 1.00 0.00 C ATOM 208 C PRO A 15 -7.181 -7.316 -4.330 1.00 0.00 C ATOM 209 O PRO A 15 -6.725 -7.939 -5.267 1.00 0.00 O ATOM 210 CB PRO A 15 -7.712 -5.129 -5.463 1.00 0.00 C ATOM 211 CG PRO A 15 -7.152 -4.014 -4.548 1.00 0.00 C ATOM 212 CD PRO A 15 -7.799 -4.212 -3.164 1.00 0.00 C ATOM 213 HA PRO A 15 -9.152 -6.642 -4.928 1.00 0.00 H ATOM 214 HB2 PRO A 15 -6.930 -5.525 -6.095 1.00 0.00 H ATOM 215 HB3 PRO A 15 -8.516 -4.736 -6.065 1.00 0.00 H ATOM 216 HG2 PRO A 15 -6.077 -4.104 -4.474 1.00 0.00 H ATOM 217 HG3 PRO A 15 -7.418 -3.045 -4.939 1.00 0.00 H ATOM 218 HD2 PRO A 15 -7.040 -4.240 -2.394 1.00 0.00 H ATOM 219 HD3 PRO A 15 -8.513 -3.430 -2.965 1.00 0.00 H ATOM 220 N LEU A 16 -6.781 -7.541 -3.107 1.00 0.00 N ATOM 221 CA LEU A 16 -5.747 -8.577 -2.829 1.00 0.00 C ATOM 222 C LEU A 16 -6.404 -9.817 -2.213 1.00 0.00 C ATOM 223 O LEU A 16 -6.039 -10.937 -2.514 1.00 0.00 O ATOM 224 CB LEU A 16 -4.719 -8.007 -1.846 1.00 0.00 C ATOM 225 CG LEU A 16 -3.702 -7.132 -2.589 1.00 0.00 C ATOM 226 CD1 LEU A 16 -2.670 -8.022 -3.283 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.415 -6.268 -3.636 1.00 0.00 C ATOM 228 H LEU A 16 -7.158 -7.021 -2.370 1.00 0.00 H ATOM 229 HA LEU A 16 -5.253 -8.850 -3.749 1.00 0.00 H ATOM 230 HB2 LEU A 16 -5.229 -7.410 -1.103 1.00 0.00 H ATOM 231 HB3 LEU A 16 -4.202 -8.820 -1.359 1.00 0.00 H ATOM 232 HG LEU A 16 -3.201 -6.493 -1.878 1.00 0.00 H ATOM 233 HD11 LEU A 16 -2.348 -8.797 -2.603 1.00 0.00 H ATOM 234 HD12 LEU A 16 -3.113 -8.473 -4.157 1.00 0.00 H ATOM 235 HD13 LEU A 16 -1.819 -7.424 -3.576 1.00 0.00 H ATOM 236 HD21 LEU A 16 -5.329 -5.874 -3.216 1.00 0.00 H ATOM 237 HD22 LEU A 16 -3.771 -5.450 -3.930 1.00 0.00 H ATOM 238 HD23 LEU A 16 -4.648 -6.870 -4.502 1.00 0.00 H ATOM 239 N CYS A 17 -7.367 -9.631 -1.349 1.00 0.00 N ATOM 240 CA CYS A 17 -8.038 -10.807 -0.715 1.00 0.00 C ATOM 241 C CYS A 17 -9.555 -10.692 -0.882 1.00 0.00 C ATOM 242 O CYS A 17 -10.275 -11.662 -0.754 1.00 0.00 O ATOM 243 CB CYS A 17 -7.691 -10.853 0.777 1.00 0.00 C ATOM 244 SG CYS A 17 -8.538 -9.506 1.646 1.00 0.00 S ATOM 245 H CYS A 17 -7.647 -8.720 -1.115 1.00 0.00 H ATOM 246 HA CYS A 17 -7.693 -11.713 -1.189 1.00 0.00 H ATOM 247 HB2 CYS A 17 -8.007 -11.799 1.188 1.00 0.00 H ATOM 248 HB3 CYS A 17 -6.625 -10.747 0.901 1.00 0.00 H ATOM 249 N MET A 18 -10.038 -9.511 -1.160 1.00 0.00 N ATOM 250 CA MET A 18 -11.502 -9.304 -1.339 1.00 0.00 C ATOM 251 C MET A 18 -12.163 -9.098 0.026 1.00 0.00 C ATOM 252 O MET A 18 -12.344 -10.028 0.788 1.00 0.00 O ATOM 253 CB MET A 18 -12.127 -10.517 -2.036 1.00 0.00 C ATOM 254 CG MET A 18 -13.093 -10.041 -3.122 1.00 0.00 C ATOM 255 SD MET A 18 -12.413 -10.443 -4.751 1.00 0.00 S ATOM 256 CE MET A 18 -12.337 -8.750 -5.388 1.00 0.00 C ATOM 257 H MET A 18 -9.432 -8.751 -1.251 1.00 0.00 H ATOM 258 HA MET A 18 -11.656 -8.424 -1.945 1.00 0.00 H ATOM 259 HB2 MET A 18 -11.347 -11.116 -2.483 1.00 0.00 H ATOM 260 HB3 MET A 18 -12.667 -11.109 -1.312 1.00 0.00 H ATOM 261 HG2 MET A 18 -14.046 -10.534 -2.998 1.00 0.00 H ATOM 262 HG3 MET A 18 -13.226 -8.971 -3.042 1.00 0.00 H ATOM 263 HE1 MET A 18 -13.285 -8.260 -5.217 1.00 0.00 H ATOM 264 HE2 MET A 18 -11.557 -8.208 -4.880 1.00 0.00 H ATOM 265 HE3 MET A 18 -12.124 -8.776 -6.448 1.00 0.00 H ATOM 266 N GLU A 19 -12.522 -7.883 0.339 1.00 0.00 N ATOM 267 CA GLU A 19 -13.168 -7.603 1.652 1.00 0.00 C ATOM 268 C GLU A 19 -13.567 -6.125 1.706 1.00 0.00 C ATOM 269 O GLU A 19 -13.065 -5.325 0.943 1.00 0.00 O ATOM 270 CB GLU A 19 -12.176 -7.915 2.778 1.00 0.00 C ATOM 271 CG GLU A 19 -10.985 -6.958 2.693 1.00 0.00 C ATOM 272 CD GLU A 19 -10.382 -6.767 4.086 1.00 0.00 C ATOM 273 OE1 GLU A 19 -9.662 -7.649 4.525 1.00 0.00 O ATOM 274 OE2 GLU A 19 -10.650 -5.743 4.691 1.00 0.00 O ATOM 275 H GLU A 19 -12.363 -7.150 -0.292 1.00 0.00 H ATOM 276 HA GLU A 19 -14.047 -8.221 1.762 1.00 0.00 H ATOM 277 HB2 GLU A 19 -12.664 -7.798 3.733 1.00 0.00 H ATOM 278 HB3 GLU A 19 -11.825 -8.931 2.676 1.00 0.00 H ATOM 279 HG2 GLU A 19 -10.239 -7.370 2.029 1.00 0.00 H ATOM 280 HG3 GLU A 19 -11.316 -6.004 2.313 1.00 0.00 H ATOM 281 N PRO A 20 -14.459 -5.800 2.607 1.00 0.00 N ATOM 282 CA PRO A 20 -14.938 -4.418 2.776 1.00 0.00 C ATOM 283 C PRO A 20 -13.892 -3.579 3.516 1.00 0.00 C ATOM 284 O PRO A 20 -13.607 -3.803 4.676 1.00 0.00 O ATOM 285 CB PRO A 20 -16.213 -4.579 3.608 1.00 0.00 C ATOM 286 CG PRO A 20 -16.094 -5.941 4.331 1.00 0.00 C ATOM 287 CD PRO A 20 -15.069 -6.773 3.536 1.00 0.00 C ATOM 288 HA PRO A 20 -15.174 -3.978 1.821 1.00 0.00 H ATOM 289 HB2 PRO A 20 -16.288 -3.775 4.329 1.00 0.00 H ATOM 290 HB3 PRO A 20 -17.078 -4.583 2.964 1.00 0.00 H ATOM 291 HG2 PRO A 20 -15.748 -5.790 5.345 1.00 0.00 H ATOM 292 HG3 PRO A 20 -17.049 -6.443 4.335 1.00 0.00 H ATOM 293 HD2 PRO A 20 -14.327 -7.186 4.202 1.00 0.00 H ATOM 294 HD3 PRO A 20 -15.565 -7.557 2.984 1.00 0.00 H ATOM 295 N LEU A 21 -13.317 -2.617 2.848 1.00 0.00 N ATOM 296 CA LEU A 21 -12.285 -1.762 3.500 1.00 0.00 C ATOM 297 C LEU A 21 -12.950 -0.851 4.534 1.00 0.00 C ATOM 298 O LEU A 21 -14.116 -0.997 4.847 1.00 0.00 O ATOM 299 CB LEU A 21 -11.592 -0.903 2.439 1.00 0.00 C ATOM 300 CG LEU A 21 -10.657 -1.774 1.598 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.333 -1.054 0.287 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.363 -2.029 2.374 1.00 0.00 C ATOM 303 H LEU A 21 -13.562 -2.459 1.913 1.00 0.00 H ATOM 304 HA LEU A 21 -11.554 -2.389 3.989 1.00 0.00 H ATOM 305 HB2 LEU A 21 -12.338 -0.453 1.799 1.00 0.00 H ATOM 306 HB3 LEU A 21 -11.020 -0.126 2.923 1.00 0.00 H ATOM 307 HG LEU A 21 -11.141 -2.716 1.381 1.00 0.00 H ATOM 308 HD11 LEU A 21 -11.251 -0.812 -0.226 1.00 0.00 H ATOM 309 HD12 LEU A 21 -9.789 -0.146 0.501 1.00 0.00 H ATOM 310 HD13 LEU A 21 -9.729 -1.697 -0.337 1.00 0.00 H ATOM 311 HD21 LEU A 21 -9.590 -2.150 3.423 1.00 0.00 H ATOM 312 HD22 LEU A 21 -8.891 -2.926 2.001 1.00 0.00 H ATOM 313 HD23 LEU A 21 -8.694 -1.190 2.245 1.00 0.00 H ATOM 314 N GLU A 22 -12.217 0.088 5.067 1.00 0.00 N ATOM 315 CA GLU A 22 -12.805 1.009 6.080 1.00 0.00 C ATOM 316 C GLU A 22 -12.189 2.402 5.925 1.00 0.00 C ATOM 317 O GLU A 22 -11.850 2.823 4.836 1.00 0.00 O ATOM 318 CB GLU A 22 -12.513 0.473 7.483 1.00 0.00 C ATOM 319 CG GLU A 22 -13.637 0.896 8.433 1.00 0.00 C ATOM 320 CD GLU A 22 -14.467 -0.329 8.823 1.00 0.00 C ATOM 321 OE1 GLU A 22 -14.006 -1.434 8.586 1.00 0.00 O ATOM 322 OE2 GLU A 22 -15.550 -0.142 9.352 1.00 0.00 O ATOM 323 H GLU A 22 -11.280 0.188 4.800 1.00 0.00 H ATOM 324 HA GLU A 22 -13.873 1.070 5.934 1.00 0.00 H ATOM 325 HB2 GLU A 22 -12.451 -0.604 7.452 1.00 0.00 H ATOM 326 HB3 GLU A 22 -11.576 0.879 7.836 1.00 0.00 H ATOM 327 HG2 GLU A 22 -13.209 1.339 9.321 1.00 0.00 H ATOM 328 HG3 GLU A 22 -14.272 1.616 7.940 1.00 0.00 H ATOM 329 N ILE A 23 -12.043 3.123 7.004 1.00 0.00 N ATOM 330 CA ILE A 23 -11.452 4.490 6.914 1.00 0.00 C ATOM 331 C ILE A 23 -9.924 4.393 6.968 1.00 0.00 C ATOM 332 O ILE A 23 -9.227 4.952 6.145 1.00 0.00 O ATOM 333 CB ILE A 23 -11.959 5.340 8.086 1.00 0.00 C ATOM 334 CG1 ILE A 23 -13.394 5.791 7.800 1.00 0.00 C ATOM 335 CG2 ILE A 23 -11.068 6.574 8.261 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.363 4.653 8.128 1.00 0.00 C ATOM 337 H ILE A 23 -12.325 2.768 7.873 1.00 0.00 H ATOM 338 HA ILE A 23 -11.750 4.949 5.983 1.00 0.00 H ATOM 339 HB ILE A 23 -11.939 4.751 8.991 1.00 0.00 H ATOM 340 HG12 ILE A 23 -13.629 6.651 8.411 1.00 0.00 H ATOM 341 HG13 ILE A 23 -13.489 6.053 6.758 1.00 0.00 H ATOM 342 HG21 ILE A 23 -10.046 6.261 8.418 1.00 0.00 H ATOM 343 HG22 ILE A 23 -11.125 7.188 7.374 1.00 0.00 H ATOM 344 HG23 ILE A 23 -11.406 7.144 9.114 1.00 0.00 H ATOM 345 HD11 ILE A 23 -13.816 3.823 8.551 1.00 0.00 H ATOM 346 HD12 ILE A 23 -15.098 5.000 8.838 1.00 0.00 H ATOM 347 HD13 ILE A 23 -14.859 4.333 7.224 1.00 0.00 H ATOM 348 N ASP A 24 -9.397 3.693 7.936 1.00 0.00 N ATOM 349 CA ASP A 24 -7.916 3.568 8.045 1.00 0.00 C ATOM 350 C ASP A 24 -7.427 2.412 7.168 1.00 0.00 C ATOM 351 O ASP A 24 -6.324 1.926 7.329 1.00 0.00 O ATOM 352 CB ASP A 24 -7.532 3.298 9.502 1.00 0.00 C ATOM 353 CG ASP A 24 -6.009 3.218 9.621 1.00 0.00 C ATOM 354 OD1 ASP A 24 -5.348 4.127 9.147 1.00 0.00 O ATOM 355 OD2 ASP A 24 -5.529 2.247 10.185 1.00 0.00 O ATOM 356 H ASP A 24 -9.976 3.254 8.594 1.00 0.00 H ATOM 357 HA ASP A 24 -7.453 4.487 7.716 1.00 0.00 H ATOM 358 HB2 ASP A 24 -7.900 4.099 10.125 1.00 0.00 H ATOM 359 HB3 ASP A 24 -7.966 2.363 9.821 1.00 0.00 H ATOM 360 N ASP A 25 -8.232 1.966 6.243 1.00 0.00 N ATOM 361 CA ASP A 25 -7.804 0.842 5.364 1.00 0.00 C ATOM 362 C ASP A 25 -7.826 1.296 3.902 1.00 0.00 C ATOM 363 O ASP A 25 -7.020 0.871 3.097 1.00 0.00 O ATOM 364 CB ASP A 25 -8.755 -0.341 5.548 1.00 0.00 C ATOM 365 CG ASP A 25 -8.206 -1.270 6.634 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.769 -0.762 7.654 1.00 0.00 O ATOM 367 OD2 ASP A 25 -8.229 -2.472 6.426 1.00 0.00 O ATOM 368 H ASP A 25 -9.118 2.369 6.127 1.00 0.00 H ATOM 369 HA ASP A 25 -6.801 0.540 5.630 1.00 0.00 H ATOM 370 HB2 ASP A 25 -9.729 0.023 5.843 1.00 0.00 H ATOM 371 HB3 ASP A 25 -8.839 -0.886 4.621 1.00 0.00 H ATOM 372 N ILE A 26 -8.740 2.161 3.552 1.00 0.00 N ATOM 373 CA ILE A 26 -8.809 2.645 2.145 1.00 0.00 C ATOM 374 C ILE A 26 -7.566 3.489 1.846 1.00 0.00 C ATOM 375 O ILE A 26 -6.659 3.052 1.167 1.00 0.00 O ATOM 376 CB ILE A 26 -10.085 3.480 1.961 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.264 2.540 1.707 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.930 4.429 0.767 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.572 3.258 2.042 1.00 0.00 C ATOM 380 H ILE A 26 -9.378 2.494 4.217 1.00 0.00 H ATOM 381 HA ILE A 26 -8.835 1.797 1.475 1.00 0.00 H ATOM 382 HB ILE A 26 -10.269 4.055 2.857 1.00 0.00 H ATOM 383 HG12 ILE A 26 -11.271 2.245 0.667 1.00 0.00 H ATOM 384 HG13 ILE A 26 -11.168 1.662 2.329 1.00 0.00 H ATOM 385 HG21 ILE A 26 -9.166 4.053 0.104 1.00 0.00 H ATOM 386 HG22 ILE A 26 -10.869 4.494 0.236 1.00 0.00 H ATOM 387 HG23 ILE A 26 -9.650 5.410 1.121 1.00 0.00 H ATOM 388 HD11 ILE A 26 -12.505 3.686 3.030 1.00 0.00 H ATOM 389 HD12 ILE A 26 -12.748 4.041 1.320 1.00 0.00 H ATOM 390 HD13 ILE A 26 -13.388 2.550 2.012 1.00 0.00 H ATOM 391 N ASN A 27 -7.511 4.690 2.352 1.00 0.00 N ATOM 392 CA ASN A 27 -6.319 5.547 2.097 1.00 0.00 C ATOM 393 C ASN A 27 -5.061 4.786 2.518 1.00 0.00 C ATOM 394 O ASN A 27 -3.964 5.100 2.100 1.00 0.00 O ATOM 395 CB ASN A 27 -6.433 6.838 2.909 1.00 0.00 C ATOM 396 CG ASN A 27 -7.646 7.637 2.431 1.00 0.00 C ATOM 397 OD1 ASN A 27 -8.699 7.079 2.188 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.544 8.929 2.284 1.00 0.00 N ATOM 399 H ASN A 27 -8.249 5.027 2.903 1.00 0.00 H ATOM 400 HA ASN A 27 -6.262 5.785 1.045 1.00 0.00 H ATOM 401 HB2 ASN A 27 -6.549 6.597 3.955 1.00 0.00 H ATOM 402 HB3 ASN A 27 -5.539 7.429 2.772 1.00 0.00 H ATOM 403 HD21 ASN A 27 -6.696 9.379 2.478 1.00 0.00 H ATOM 404 HD22 ASN A 27 -8.316 9.449 1.977 1.00 0.00 H ATOM 405 N PHE A 28 -5.212 3.785 3.343 1.00 0.00 N ATOM 406 CA PHE A 28 -4.028 3.001 3.791 1.00 0.00 C ATOM 407 C PHE A 28 -3.576 2.076 2.658 1.00 0.00 C ATOM 408 O PHE A 28 -4.073 0.978 2.503 1.00 0.00 O ATOM 409 CB PHE A 28 -4.404 2.167 5.023 1.00 0.00 C ATOM 410 CG PHE A 28 -3.397 1.056 5.222 1.00 0.00 C ATOM 411 CD1 PHE A 28 -2.106 1.352 5.677 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.755 -0.269 4.945 1.00 0.00 C ATOM 413 CE1 PHE A 28 -1.173 0.323 5.855 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.822 -1.298 5.125 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.531 -1.002 5.580 1.00 0.00 C ATOM 416 H PHE A 28 -6.106 3.550 3.668 1.00 0.00 H ATOM 417 HA PHE A 28 -3.226 3.677 4.046 1.00 0.00 H ATOM 418 HB2 PHE A 28 -4.413 2.803 5.897 1.00 0.00 H ATOM 419 HB3 PHE A 28 -5.386 1.741 4.881 1.00 0.00 H ATOM 420 HD1 PHE A 28 -1.830 2.374 5.889 1.00 0.00 H ATOM 421 HD2 PHE A 28 -4.750 -0.498 4.594 1.00 0.00 H ATOM 422 HE1 PHE A 28 -0.177 0.551 6.205 1.00 0.00 H ATOM 423 HE2 PHE A 28 -3.098 -2.320 4.912 1.00 0.00 H ATOM 424 HZ PHE A 28 -0.812 -1.795 5.717 1.00 0.00 H ATOM 425 N PHE A 29 -2.630 2.507 1.869 1.00 0.00 N ATOM 426 CA PHE A 29 -2.143 1.648 0.754 1.00 0.00 C ATOM 427 C PHE A 29 -0.680 1.283 1.003 1.00 0.00 C ATOM 428 O PHE A 29 0.070 2.068 1.546 1.00 0.00 O ATOM 429 CB PHE A 29 -2.249 2.406 -0.570 1.00 0.00 C ATOM 430 CG PHE A 29 -1.998 3.871 -0.326 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.698 4.332 -0.078 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.070 4.769 -0.345 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.475 5.694 0.153 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.847 6.129 -0.115 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.549 6.594 0.134 1.00 0.00 C ATOM 436 H PHE A 29 -2.238 3.393 2.012 1.00 0.00 H ATOM 437 HA PHE A 29 -2.740 0.749 0.704 1.00 0.00 H ATOM 438 HB2 PHE A 29 -1.513 2.024 -1.263 1.00 0.00 H ATOM 439 HB3 PHE A 29 -3.237 2.274 -0.983 1.00 0.00 H ATOM 440 HD1 PHE A 29 0.133 3.636 -0.061 1.00 0.00 H ATOM 441 HD2 PHE A 29 -4.070 4.412 -0.540 1.00 0.00 H ATOM 442 HE1 PHE A 29 0.526 6.052 0.346 1.00 0.00 H ATOM 443 HE2 PHE A 29 -3.676 6.821 -0.129 1.00 0.00 H ATOM 444 HZ PHE A 29 -1.377 7.645 0.312 1.00 0.00 H ATOM 445 N PRO A 30 -0.315 0.100 0.588 1.00 0.00 N ATOM 446 CA PRO A 30 1.057 -0.399 0.741 1.00 0.00 C ATOM 447 C PRO A 30 1.962 0.227 -0.322 1.00 0.00 C ATOM 448 O PRO A 30 3.161 0.051 -0.306 1.00 0.00 O ATOM 449 CB PRO A 30 0.919 -1.907 0.524 1.00 0.00 C ATOM 450 CG PRO A 30 -0.383 -2.111 -0.286 1.00 0.00 C ATOM 451 CD PRO A 30 -1.236 -0.849 -0.071 1.00 0.00 C ATOM 452 HA PRO A 30 1.431 -0.199 1.732 1.00 0.00 H ATOM 453 HB2 PRO A 30 1.769 -2.281 -0.031 1.00 0.00 H ATOM 454 HB3 PRO A 30 0.839 -2.415 1.472 1.00 0.00 H ATOM 455 HG2 PRO A 30 -0.150 -2.230 -1.336 1.00 0.00 H ATOM 456 HG3 PRO A 30 -0.914 -2.975 0.077 1.00 0.00 H ATOM 457 HD2 PRO A 30 -1.574 -0.455 -1.020 1.00 0.00 H ATOM 458 HD3 PRO A 30 -2.074 -1.062 0.574 1.00 0.00 H ATOM 459 N CYS A 31 1.394 0.953 -1.247 1.00 0.00 N ATOM 460 CA CYS A 31 2.221 1.585 -2.315 1.00 0.00 C ATOM 461 C CYS A 31 1.721 3.006 -2.589 1.00 0.00 C ATOM 462 O CYS A 31 0.586 3.339 -2.313 1.00 0.00 O ATOM 463 CB CYS A 31 2.115 0.752 -3.590 1.00 0.00 C ATOM 464 SG CYS A 31 3.190 1.456 -4.862 1.00 0.00 S ATOM 465 H CYS A 31 0.422 1.080 -1.242 1.00 0.00 H ATOM 466 HA CYS A 31 3.253 1.621 -1.996 1.00 0.00 H ATOM 467 HB2 CYS A 31 2.421 -0.264 -3.383 1.00 0.00 H ATOM 468 HB3 CYS A 31 1.093 0.756 -3.940 1.00 0.00 H ATOM 469 N THR A 32 2.567 3.850 -3.121 1.00 0.00 N ATOM 470 CA THR A 32 2.150 5.255 -3.403 1.00 0.00 C ATOM 471 C THR A 32 1.584 5.373 -4.824 1.00 0.00 C ATOM 472 O THR A 32 1.576 6.440 -5.405 1.00 0.00 O ATOM 473 CB THR A 32 3.361 6.180 -3.269 1.00 0.00 C ATOM 474 OG1 THR A 32 2.948 7.526 -3.459 1.00 0.00 O ATOM 475 CG2 THR A 32 4.405 5.811 -4.325 1.00 0.00 C ATOM 476 H THR A 32 3.480 3.561 -3.328 1.00 0.00 H ATOM 477 HA THR A 32 1.394 5.553 -2.692 1.00 0.00 H ATOM 478 HB THR A 32 3.794 6.070 -2.288 1.00 0.00 H ATOM 479 HG1 THR A 32 2.470 7.803 -2.674 1.00 0.00 H ATOM 480 HG21 THR A 32 4.461 4.737 -4.416 1.00 0.00 H ATOM 481 HG22 THR A 32 4.123 6.239 -5.276 1.00 0.00 H ATOM 482 HG23 THR A 32 5.369 6.197 -4.028 1.00 0.00 H ATOM 483 N CYS A 33 1.110 4.298 -5.395 1.00 0.00 N ATOM 484 CA CYS A 33 0.554 4.387 -6.777 1.00 0.00 C ATOM 485 C CYS A 33 -0.975 4.365 -6.724 1.00 0.00 C ATOM 486 O CYS A 33 -1.640 4.411 -7.740 1.00 0.00 O ATOM 487 CB CYS A 33 1.062 3.210 -7.616 1.00 0.00 C ATOM 488 SG CYS A 33 0.239 1.682 -7.100 1.00 0.00 S ATOM 489 H CYS A 33 1.119 3.441 -4.920 1.00 0.00 H ATOM 490 HA CYS A 33 0.879 5.312 -7.230 1.00 0.00 H ATOM 491 HB2 CYS A 33 0.849 3.397 -8.660 1.00 0.00 H ATOM 492 HB3 CYS A 33 2.128 3.108 -7.480 1.00 0.00 H ATOM 493 N GLY A 34 -1.539 4.294 -5.551 1.00 0.00 N ATOM 494 CA GLY A 34 -3.024 4.271 -5.440 1.00 0.00 C ATOM 495 C GLY A 34 -3.493 2.855 -5.109 1.00 0.00 C ATOM 496 O GLY A 34 -4.408 2.661 -4.334 1.00 0.00 O ATOM 497 H GLY A 34 -0.986 4.258 -4.742 1.00 0.00 H ATOM 498 HA2 GLY A 34 -3.460 4.581 -6.377 1.00 0.00 H ATOM 499 HA3 GLY A 34 -3.336 4.947 -4.655 1.00 0.00 H ATOM 500 N TYR A 35 -2.876 1.859 -5.685 1.00 0.00 N ATOM 501 CA TYR A 35 -3.296 0.460 -5.389 1.00 0.00 C ATOM 502 C TYR A 35 -3.256 0.259 -3.873 1.00 0.00 C ATOM 503 O TYR A 35 -2.199 0.174 -3.280 1.00 0.00 O ATOM 504 CB TYR A 35 -2.331 -0.517 -6.067 1.00 0.00 C ATOM 505 CG TYR A 35 -3.076 -1.770 -6.470 1.00 0.00 C ATOM 506 CD1 TYR A 35 -4.037 -1.709 -7.487 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.804 -2.990 -5.836 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.726 -2.865 -7.870 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.493 -4.147 -6.222 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.455 -4.085 -7.238 1.00 0.00 C ATOM 511 OH TYR A 35 -5.134 -5.225 -7.617 1.00 0.00 O ATOM 512 H TYR A 35 -2.138 2.031 -6.306 1.00 0.00 H ATOM 513 HA TYR A 35 -4.300 0.296 -5.753 1.00 0.00 H ATOM 514 HB2 TYR A 35 -1.905 -0.053 -6.944 1.00 0.00 H ATOM 515 HB3 TYR A 35 -1.542 -0.777 -5.378 1.00 0.00 H ATOM 516 HD1 TYR A 35 -4.247 -0.769 -7.975 1.00 0.00 H ATOM 517 HD2 TYR A 35 -2.063 -3.042 -5.053 1.00 0.00 H ATOM 518 HE1 TYR A 35 -5.467 -2.817 -8.655 1.00 0.00 H ATOM 519 HE2 TYR A 35 -3.284 -5.088 -5.734 1.00 0.00 H ATOM 520 HH TYR A 35 -5.071 -5.859 -6.899 1.00 0.00 H ATOM 521 N GLN A 36 -4.394 0.195 -3.238 1.00 0.00 N ATOM 522 CA GLN A 36 -4.404 0.014 -1.756 1.00 0.00 C ATOM 523 C GLN A 36 -4.896 -1.390 -1.411 1.00 0.00 C ATOM 524 O GLN A 36 -5.526 -2.054 -2.210 1.00 0.00 O ATOM 525 CB GLN A 36 -5.332 1.045 -1.087 1.00 0.00 C ATOM 526 CG GLN A 36 -5.793 2.106 -2.092 1.00 0.00 C ATOM 527 CD GLN A 36 -6.944 2.911 -1.485 1.00 0.00 C ATOM 528 OE1 GLN A 36 -7.817 2.357 -0.848 1.00 0.00 O ATOM 529 NE2 GLN A 36 -6.983 4.204 -1.658 1.00 0.00 N ATOM 530 H GLN A 36 -5.235 0.270 -3.732 1.00 0.00 H ATOM 531 HA GLN A 36 -3.401 0.141 -1.376 1.00 0.00 H ATOM 532 HB2 GLN A 36 -6.196 0.536 -0.688 1.00 0.00 H ATOM 533 HB3 GLN A 36 -4.802 1.531 -0.280 1.00 0.00 H ATOM 534 HG2 GLN A 36 -4.971 2.768 -2.321 1.00 0.00 H ATOM 535 HG3 GLN A 36 -6.134 1.627 -2.996 1.00 0.00 H ATOM 536 HE21 GLN A 36 -6.278 4.651 -2.171 1.00 0.00 H ATOM 537 HE22 GLN A 36 -7.716 4.727 -1.271 1.00 0.00 H ATOM 538 N ILE A 37 -4.616 -1.845 -0.222 1.00 0.00 N ATOM 539 CA ILE A 37 -5.070 -3.202 0.183 1.00 0.00 C ATOM 540 C ILE A 37 -5.581 -3.152 1.625 1.00 0.00 C ATOM 541 O ILE A 37 -5.632 -2.105 2.239 1.00 0.00 O ATOM 542 CB ILE A 37 -3.901 -4.183 0.083 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.915 -3.921 1.225 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.192 -3.995 -1.259 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.815 -4.982 1.202 1.00 0.00 C ATOM 546 H ILE A 37 -4.110 -1.289 0.408 1.00 0.00 H ATOM 547 HA ILE A 37 -5.868 -3.523 -0.469 1.00 0.00 H ATOM 548 HB ILE A 37 -4.274 -5.195 0.153 1.00 0.00 H ATOM 549 HG12 ILE A 37 -2.475 -2.941 1.103 1.00 0.00 H ATOM 550 HG13 ILE A 37 -3.437 -3.967 2.168 1.00 0.00 H ATOM 551 HG21 ILE A 37 -3.139 -2.942 -1.494 1.00 0.00 H ATOM 552 HG22 ILE A 37 -2.192 -4.400 -1.199 1.00 0.00 H ATOM 553 HG23 ILE A 37 -3.742 -4.510 -2.032 1.00 0.00 H ATOM 554 HD11 ILE A 37 -2.261 -5.958 1.092 1.00 0.00 H ATOM 555 HD12 ILE A 37 -1.149 -4.796 0.373 1.00 0.00 H ATOM 556 HD13 ILE A 37 -1.258 -4.945 2.126 1.00 0.00 H ATOM 557 N CYS A 38 -5.954 -4.275 2.171 1.00 0.00 N ATOM 558 CA CYS A 38 -6.454 -4.292 3.571 1.00 0.00 C ATOM 559 C CYS A 38 -5.274 -4.535 4.516 1.00 0.00 C ATOM 560 O CYS A 38 -4.231 -5.009 4.109 1.00 0.00 O ATOM 561 CB CYS A 38 -7.515 -5.393 3.729 1.00 0.00 C ATOM 562 SG CYS A 38 -6.727 -7.021 3.827 1.00 0.00 S ATOM 563 H CYS A 38 -5.897 -5.107 1.664 1.00 0.00 H ATOM 564 HA CYS A 38 -6.897 -3.334 3.800 1.00 0.00 H ATOM 565 HB2 CYS A 38 -8.081 -5.218 4.630 1.00 0.00 H ATOM 566 HB3 CYS A 38 -8.181 -5.370 2.878 1.00 0.00 H ATOM 567 N ARG A 39 -5.417 -4.203 5.769 1.00 0.00 N ATOM 568 CA ARG A 39 -4.292 -4.406 6.723 1.00 0.00 C ATOM 569 C ARG A 39 -3.989 -5.900 6.861 1.00 0.00 C ATOM 570 O ARG A 39 -2.932 -6.287 7.318 1.00 0.00 O ATOM 571 CB ARG A 39 -4.665 -3.832 8.091 1.00 0.00 C ATOM 572 CG ARG A 39 -3.703 -2.697 8.443 1.00 0.00 C ATOM 573 CD ARG A 39 -4.498 -1.482 8.924 1.00 0.00 C ATOM 574 NE ARG A 39 -3.633 -0.639 9.795 1.00 0.00 N ATOM 575 CZ ARG A 39 -3.222 -1.097 10.945 1.00 0.00 C ATOM 576 NH1 ARG A 39 -3.974 -1.917 11.628 1.00 0.00 N ATOM 577 NH2 ARG A 39 -2.059 -0.736 11.413 1.00 0.00 N ATOM 578 H ARG A 39 -6.260 -3.811 6.079 1.00 0.00 H ATOM 579 HA ARG A 39 -3.414 -3.899 6.351 1.00 0.00 H ATOM 580 HB2 ARG A 39 -5.676 -3.453 8.059 1.00 0.00 H ATOM 581 HB3 ARG A 39 -4.594 -4.607 8.840 1.00 0.00 H ATOM 582 HG2 ARG A 39 -3.034 -3.024 9.225 1.00 0.00 H ATOM 583 HG3 ARG A 39 -3.130 -2.428 7.568 1.00 0.00 H ATOM 584 HD2 ARG A 39 -4.823 -0.905 8.071 1.00 0.00 H ATOM 585 HD3 ARG A 39 -5.360 -1.814 9.483 1.00 0.00 H ATOM 586 HE ARG A 39 -3.372 0.260 9.504 1.00 0.00 H ATOM 587 HH11 ARG A 39 -4.866 -2.194 11.269 1.00 0.00 H ATOM 588 HH12 ARG A 39 -3.658 -2.269 12.509 1.00 0.00 H ATOM 589 HH21 ARG A 39 -1.483 -0.108 10.891 1.00 0.00 H ATOM 590 HH22 ARG A 39 -1.744 -1.088 12.295 1.00 0.00 H ATOM 591 N PHE A 40 -4.903 -6.744 6.471 1.00 0.00 N ATOM 592 CA PHE A 40 -4.655 -8.209 6.586 1.00 0.00 C ATOM 593 C PHE A 40 -3.802 -8.676 5.405 1.00 0.00 C ATOM 594 O PHE A 40 -3.158 -9.704 5.460 1.00 0.00 O ATOM 595 CB PHE A 40 -5.988 -8.955 6.585 1.00 0.00 C ATOM 596 CG PHE A 40 -6.511 -9.041 7.999 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.886 -9.885 8.924 1.00 0.00 C ATOM 598 CD2 PHE A 40 -7.616 -8.275 8.386 1.00 0.00 C ATOM 599 CE1 PHE A 40 -6.365 -9.964 10.236 1.00 0.00 C ATOM 600 CE2 PHE A 40 -8.097 -8.354 9.698 1.00 0.00 C ATOM 601 CZ PHE A 40 -7.471 -9.199 10.624 1.00 0.00 C ATOM 602 H PHE A 40 -5.751 -6.416 6.105 1.00 0.00 H ATOM 603 HA PHE A 40 -4.131 -8.411 7.509 1.00 0.00 H ATOM 604 HB2 PHE A 40 -6.699 -8.425 5.968 1.00 0.00 H ATOM 605 HB3 PHE A 40 -5.844 -9.950 6.194 1.00 0.00 H ATOM 606 HD1 PHE A 40 -5.032 -10.477 8.625 1.00 0.00 H ATOM 607 HD2 PHE A 40 -8.099 -7.624 7.672 1.00 0.00 H ATOM 608 HE1 PHE A 40 -5.882 -10.617 10.950 1.00 0.00 H ATOM 609 HE2 PHE A 40 -8.949 -7.763 9.999 1.00 0.00 H ATOM 610 HZ PHE A 40 -7.840 -9.259 11.637 1.00 0.00 H ATOM 611 N CYS A 41 -3.786 -7.922 4.341 1.00 0.00 N ATOM 612 CA CYS A 41 -2.967 -8.314 3.161 1.00 0.00 C ATOM 613 C CYS A 41 -1.579 -7.688 3.300 1.00 0.00 C ATOM 614 O CYS A 41 -0.604 -8.188 2.776 1.00 0.00 O ATOM 615 CB CYS A 41 -3.636 -7.811 1.877 1.00 0.00 C ATOM 616 SG CYS A 41 -4.867 -9.018 1.323 1.00 0.00 S ATOM 617 H CYS A 41 -4.304 -7.093 4.322 1.00 0.00 H ATOM 618 HA CYS A 41 -2.877 -9.389 3.126 1.00 0.00 H ATOM 619 HB2 CYS A 41 -4.120 -6.864 2.067 1.00 0.00 H ATOM 620 HB3 CYS A 41 -2.889 -7.687 1.109 1.00 0.00 H ATOM 621 N TRP A 42 -1.486 -6.596 4.008 1.00 0.00 N ATOM 622 CA TRP A 42 -0.165 -5.934 4.193 1.00 0.00 C ATOM 623 C TRP A 42 0.571 -6.596 5.359 1.00 0.00 C ATOM 624 O TRP A 42 1.756 -6.404 5.549 1.00 0.00 O ATOM 625 CB TRP A 42 -0.381 -4.449 4.497 1.00 0.00 C ATOM 626 CG TRP A 42 0.932 -3.801 4.790 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.834 -3.418 3.857 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.506 -3.451 6.082 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.925 -2.854 4.496 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.769 -2.853 5.868 1.00 0.00 C ATOM 631 CE3 TRP A 42 1.055 -3.594 7.406 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.559 -2.412 6.931 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.846 -3.152 8.479 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.096 -2.562 8.242 1.00 0.00 C ATOM 635 H TRP A 42 -2.287 -6.214 4.424 1.00 0.00 H ATOM 636 HA TRP A 42 0.419 -6.036 3.291 1.00 0.00 H ATOM 637 HB2 TRP A 42 -0.837 -3.968 3.646 1.00 0.00 H ATOM 638 HB3 TRP A 42 -1.029 -4.349 5.356 1.00 0.00 H ATOM 639 HD1 TRP A 42 1.721 -3.531 2.789 1.00 0.00 H ATOM 640 HE1 TRP A 42 3.719 -2.496 4.047 1.00 0.00 H ATOM 641 HE3 TRP A 42 0.094 -4.047 7.600 1.00 0.00 H ATOM 642 HZ2 TRP A 42 4.521 -1.958 6.742 1.00 0.00 H ATOM 643 HZ3 TRP A 42 1.489 -3.267 9.492 1.00 0.00 H ATOM 644 HH2 TRP A 42 3.699 -2.223 9.071 1.00 0.00 H ATOM 645 N HIS A 43 -0.125 -7.376 6.142 1.00 0.00 N ATOM 646 CA HIS A 43 0.530 -8.053 7.297 1.00 0.00 C ATOM 647 C HIS A 43 1.158 -9.370 6.831 1.00 0.00 C ATOM 648 O HIS A 43 1.689 -10.128 7.618 1.00 0.00 O ATOM 649 CB HIS A 43 -0.515 -8.343 8.378 1.00 0.00 C ATOM 650 CG HIS A 43 -0.210 -7.526 9.604 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.976 -7.668 10.308 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.923 -6.556 10.261 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.940 -6.803 11.338 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.195 -6.101 11.357 1.00 0.00 N ATOM 655 H HIS A 43 -1.079 -7.515 5.970 1.00 0.00 H ATOM 656 HA HIS A 43 1.299 -7.412 7.702 1.00 0.00 H ATOM 657 HB2 HIS A 43 -1.496 -8.084 8.009 1.00 0.00 H ATOM 658 HB3 HIS A 43 -0.490 -9.393 8.630 1.00 0.00 H ATOM 659 HD1 HIS A 43 1.705 -8.287 10.096 1.00 0.00 H ATOM 660 HD2 HIS A 43 -1.901 -6.200 9.974 1.00 0.00 H ATOM 661 HE1 HIS A 43 1.735 -6.690 12.062 1.00 0.00 H ATOM 662 N ARG A 44 1.100 -9.652 5.556 1.00 0.00 N ATOM 663 CA ARG A 44 1.693 -10.921 5.044 1.00 0.00 C ATOM 664 C ARG A 44 2.526 -10.631 3.794 1.00 0.00 C ATOM 665 O ARG A 44 3.651 -11.074 3.669 1.00 0.00 O ATOM 666 CB ARG A 44 0.572 -11.901 4.692 1.00 0.00 C ATOM 667 CG ARG A 44 0.863 -13.261 5.328 1.00 0.00 C ATOM 668 CD ARG A 44 0.802 -14.351 4.256 1.00 0.00 C ATOM 669 NE ARG A 44 -0.620 -14.607 3.889 1.00 0.00 N ATOM 670 CZ ARG A 44 -1.147 -14.003 2.860 1.00 0.00 C ATOM 671 NH1 ARG A 44 -1.740 -12.850 3.013 1.00 0.00 N ATOM 672 NH2 ARG A 44 -1.084 -14.551 1.677 1.00 0.00 N ATOM 673 H ARG A 44 0.667 -9.030 4.935 1.00 0.00 H ATOM 674 HA ARG A 44 2.324 -11.355 5.805 1.00 0.00 H ATOM 675 HB2 ARG A 44 -0.367 -11.522 5.066 1.00 0.00 H ATOM 676 HB3 ARG A 44 0.515 -12.013 3.620 1.00 0.00 H ATOM 677 HG2 ARG A 44 1.849 -13.247 5.772 1.00 0.00 H ATOM 678 HG3 ARG A 44 0.127 -13.468 6.091 1.00 0.00 H ATOM 679 HD2 ARG A 44 1.347 -14.027 3.382 1.00 0.00 H ATOM 680 HD3 ARG A 44 1.243 -15.259 4.638 1.00 0.00 H ATOM 681 HE ARG A 44 -1.159 -15.228 4.422 1.00 0.00 H ATOM 682 HH11 ARG A 44 -1.789 -12.431 3.920 1.00 0.00 H ATOM 683 HH12 ARG A 44 -2.145 -12.387 2.225 1.00 0.00 H ATOM 684 HH21 ARG A 44 -0.630 -15.435 1.560 1.00 0.00 H ATOM 685 HH22 ARG A 44 -1.489 -14.088 0.889 1.00 0.00 H ATOM 686 N ILE A 45 1.983 -9.892 2.866 1.00 0.00 N ATOM 687 CA ILE A 45 2.746 -9.574 1.626 1.00 0.00 C ATOM 688 C ILE A 45 4.147 -9.087 2.003 1.00 0.00 C ATOM 689 O ILE A 45 5.103 -9.295 1.282 1.00 0.00 O ATOM 690 CB ILE A 45 2.014 -8.481 0.844 1.00 0.00 C ATOM 691 CG1 ILE A 45 0.670 -9.023 0.346 1.00 0.00 C ATOM 692 CG2 ILE A 45 2.860 -8.051 -0.356 1.00 0.00 C ATOM 693 CD1 ILE A 45 -0.241 -7.856 -0.039 1.00 0.00 C ATOM 694 H ILE A 45 1.074 -9.546 2.984 1.00 0.00 H ATOM 695 HA ILE A 45 2.827 -10.462 1.015 1.00 0.00 H ATOM 696 HB ILE A 45 1.844 -7.630 1.488 1.00 0.00 H ATOM 697 HG12 ILE A 45 0.834 -9.652 -0.518 1.00 0.00 H ATOM 698 HG13 ILE A 45 0.202 -9.601 1.128 1.00 0.00 H ATOM 699 HG21 ILE A 45 3.882 -8.370 -0.210 1.00 0.00 H ATOM 700 HG22 ILE A 45 2.468 -8.503 -1.255 1.00 0.00 H ATOM 701 HG23 ILE A 45 2.829 -6.975 -0.451 1.00 0.00 H ATOM 702 HD11 ILE A 45 0.337 -6.946 -0.080 1.00 0.00 H ATOM 703 HD12 ILE A 45 -0.681 -8.048 -1.007 1.00 0.00 H ATOM 704 HD13 ILE A 45 -1.023 -7.753 0.699 1.00 0.00 H ATOM 705 N ARG A 46 4.276 -8.438 3.129 1.00 0.00 N ATOM 706 CA ARG A 46 5.615 -7.938 3.552 1.00 0.00 C ATOM 707 C ARG A 46 6.345 -9.029 4.342 1.00 0.00 C ATOM 708 O ARG A 46 7.558 -9.099 4.348 1.00 0.00 O ATOM 709 CB ARG A 46 5.441 -6.698 4.435 1.00 0.00 C ATOM 710 CG ARG A 46 6.763 -6.378 5.139 1.00 0.00 C ATOM 711 CD ARG A 46 6.841 -4.879 5.431 1.00 0.00 C ATOM 712 NE ARG A 46 8.099 -4.585 6.174 1.00 0.00 N ATOM 713 CZ ARG A 46 8.177 -4.841 7.450 1.00 0.00 C ATOM 714 NH1 ARG A 46 7.168 -4.574 8.233 1.00 0.00 N ATOM 715 NH2 ARG A 46 9.264 -5.367 7.945 1.00 0.00 N ATOM 716 H ARG A 46 3.494 -8.282 3.696 1.00 0.00 H ATOM 717 HA ARG A 46 6.195 -7.678 2.678 1.00 0.00 H ATOM 718 HB2 ARG A 46 5.147 -5.858 3.821 1.00 0.00 H ATOM 719 HB3 ARG A 46 4.678 -6.888 5.175 1.00 0.00 H ATOM 720 HG2 ARG A 46 6.818 -6.930 6.066 1.00 0.00 H ATOM 721 HG3 ARG A 46 7.587 -6.662 4.502 1.00 0.00 H ATOM 722 HD2 ARG A 46 6.833 -4.330 4.501 1.00 0.00 H ATOM 723 HD3 ARG A 46 5.992 -4.585 6.031 1.00 0.00 H ATOM 724 HE ARG A 46 8.867 -4.198 5.703 1.00 0.00 H ATOM 725 HH11 ARG A 46 6.334 -4.173 7.853 1.00 0.00 H ATOM 726 HH12 ARG A 46 7.228 -4.771 9.211 1.00 0.00 H ATOM 727 HH21 ARG A 46 10.037 -5.574 7.346 1.00 0.00 H ATOM 728 HH22 ARG A 46 9.323 -5.562 8.924 1.00 0.00 H ATOM 729 N THR A 47 5.615 -9.876 5.014 1.00 0.00 N ATOM 730 CA THR A 47 6.266 -10.957 5.811 1.00 0.00 C ATOM 731 C THR A 47 6.410 -12.219 4.955 1.00 0.00 C ATOM 732 O THR A 47 7.496 -12.594 4.558 1.00 0.00 O ATOM 733 CB THR A 47 5.405 -11.271 7.037 1.00 0.00 C ATOM 734 OG1 THR A 47 4.714 -10.096 7.439 1.00 0.00 O ATOM 735 CG2 THR A 47 6.297 -11.758 8.181 1.00 0.00 C ATOM 736 H THR A 47 4.639 -9.799 5.003 1.00 0.00 H ATOM 737 HA THR A 47 7.244 -10.627 6.132 1.00 0.00 H ATOM 738 HB THR A 47 4.692 -12.041 6.788 1.00 0.00 H ATOM 739 HG1 THR A 47 4.381 -10.240 8.327 1.00 0.00 H ATOM 740 HG21 THR A 47 7.022 -10.996 8.422 1.00 0.00 H ATOM 741 HG22 THR A 47 5.688 -11.963 9.048 1.00 0.00 H ATOM 742 HG23 THR A 47 6.809 -12.660 7.879 1.00 0.00 H ATOM 743 N ASP A 48 5.321 -12.883 4.676 1.00 0.00 N ATOM 744 CA ASP A 48 5.392 -14.125 3.856 1.00 0.00 C ATOM 745 C ASP A 48 5.973 -13.805 2.477 1.00 0.00 C ATOM 746 O ASP A 48 6.548 -14.653 1.825 1.00 0.00 O ATOM 747 CB ASP A 48 3.987 -14.708 3.694 1.00 0.00 C ATOM 748 CG ASP A 48 3.766 -15.803 4.739 1.00 0.00 C ATOM 749 OD1 ASP A 48 4.277 -15.658 5.838 1.00 0.00 O ATOM 750 OD2 ASP A 48 3.090 -16.769 4.423 1.00 0.00 O ATOM 751 H ASP A 48 4.456 -12.567 5.011 1.00 0.00 H ATOM 752 HA ASP A 48 6.024 -14.847 4.352 1.00 0.00 H ATOM 753 HB2 ASP A 48 3.256 -13.925 3.830 1.00 0.00 H ATOM 754 HB3 ASP A 48 3.885 -15.131 2.706 1.00 0.00 H ATOM 755 N GLU A 49 5.827 -12.590 2.026 1.00 0.00 N ATOM 756 CA GLU A 49 6.371 -12.226 0.688 1.00 0.00 C ATOM 757 C GLU A 49 7.411 -11.116 0.842 1.00 0.00 C ATOM 758 O GLU A 49 7.887 -10.842 1.926 1.00 0.00 O ATOM 759 CB GLU A 49 5.233 -11.736 -0.208 1.00 0.00 C ATOM 760 CG GLU A 49 4.936 -12.789 -1.277 1.00 0.00 C ATOM 761 CD GLU A 49 4.599 -14.120 -0.603 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.764 -14.116 0.287 1.00 0.00 O ATOM 763 OE2 GLU A 49 5.182 -15.121 -0.986 1.00 0.00 O ATOM 764 H GLU A 49 5.358 -11.920 2.563 1.00 0.00 H ATOM 765 HA GLU A 49 6.833 -13.092 0.239 1.00 0.00 H ATOM 766 HB2 GLU A 49 4.350 -11.570 0.391 1.00 0.00 H ATOM 767 HB3 GLU A 49 5.524 -10.812 -0.686 1.00 0.00 H ATOM 768 HG2 GLU A 49 4.098 -12.465 -1.876 1.00 0.00 H ATOM 769 HG3 GLU A 49 5.804 -12.917 -1.908 1.00 0.00 H ATOM 770 N ASN A 50 7.767 -10.475 -0.237 1.00 0.00 N ATOM 771 CA ASN A 50 8.776 -9.384 -0.158 1.00 0.00 C ATOM 772 C ASN A 50 8.094 -8.090 0.294 1.00 0.00 C ATOM 773 O ASN A 50 8.582 -7.391 1.159 1.00 0.00 O ATOM 774 CB ASN A 50 9.410 -9.175 -1.535 1.00 0.00 C ATOM 775 CG ASN A 50 10.927 -9.335 -1.427 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.432 -9.777 -0.413 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.681 -8.994 -2.435 1.00 0.00 N ATOM 778 H ASN A 50 7.369 -10.713 -1.101 1.00 0.00 H ATOM 779 HA ASN A 50 9.542 -9.654 0.554 1.00 0.00 H ATOM 780 HB2 ASN A 50 9.017 -9.906 -2.226 1.00 0.00 H ATOM 781 HB3 ASN A 50 9.180 -8.182 -1.891 1.00 0.00 H ATOM 782 HD21 ASN A 50 11.274 -8.637 -3.252 1.00 0.00 H ATOM 783 HD22 ASN A 50 12.655 -9.094 -2.376 1.00 0.00 H ATOM 784 N GLY A 51 6.969 -7.768 -0.284 1.00 0.00 N ATOM 785 CA GLY A 51 6.258 -6.520 0.114 1.00 0.00 C ATOM 786 C GLY A 51 6.265 -5.534 -1.055 1.00 0.00 C ATOM 787 O GLY A 51 6.232 -4.333 -0.869 1.00 0.00 O ATOM 788 H GLY A 51 6.591 -8.346 -0.980 1.00 0.00 H ATOM 789 HA2 GLY A 51 6.760 -6.074 0.959 1.00 0.00 H ATOM 790 HA3 GLY A 51 5.238 -6.756 0.382 1.00 0.00 H ATOM 791 N LEU A 52 6.311 -6.032 -2.261 1.00 0.00 N ATOM 792 CA LEU A 52 6.323 -5.123 -3.441 1.00 0.00 C ATOM 793 C LEU A 52 4.890 -4.861 -3.905 1.00 0.00 C ATOM 794 O LEU A 52 3.942 -5.408 -3.376 1.00 0.00 O ATOM 795 CB LEU A 52 7.109 -5.774 -4.583 1.00 0.00 C ATOM 796 CG LEU A 52 8.611 -5.648 -4.324 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.378 -6.048 -5.586 1.00 0.00 C ATOM 798 CD2 LEU A 52 8.953 -4.200 -3.965 1.00 0.00 C ATOM 799 H LEU A 52 6.339 -7.003 -2.389 1.00 0.00 H ATOM 800 HA LEU A 52 6.786 -4.188 -3.170 1.00 0.00 H ATOM 801 HB2 LEU A 52 6.842 -6.819 -4.650 1.00 0.00 H ATOM 802 HB3 LEU A 52 6.864 -5.281 -5.512 1.00 0.00 H ATOM 803 HG LEU A 52 8.893 -6.300 -3.509 1.00 0.00 H ATOM 804 HD11 LEU A 52 8.718 -5.997 -6.439 1.00 0.00 H ATOM 805 HD12 LEU A 52 10.208 -5.372 -5.731 1.00 0.00 H ATOM 806 HD13 LEU A 52 9.749 -7.057 -5.477 1.00 0.00 H ATOM 807 HD21 LEU A 52 8.196 -3.542 -4.366 1.00 0.00 H ATOM 808 HD22 LEU A 52 8.988 -4.094 -2.891 1.00 0.00 H ATOM 809 HD23 LEU A 52 9.913 -3.942 -4.384 1.00 0.00 H ATOM 810 N CYS A 53 4.730 -4.026 -4.893 1.00 0.00 N ATOM 811 CA CYS A 53 3.362 -3.716 -5.405 1.00 0.00 C ATOM 812 C CYS A 53 2.992 -4.699 -6.525 1.00 0.00 C ATOM 813 O CYS A 53 3.654 -4.745 -7.543 1.00 0.00 O ATOM 814 CB CYS A 53 3.341 -2.294 -5.967 1.00 0.00 C ATOM 815 SG CYS A 53 1.637 -1.692 -6.051 1.00 0.00 S ATOM 816 H CYS A 53 5.513 -3.600 -5.300 1.00 0.00 H ATOM 817 HA CYS A 53 2.652 -3.793 -4.599 1.00 0.00 H ATOM 818 HB2 CYS A 53 3.920 -1.646 -5.328 1.00 0.00 H ATOM 819 HB3 CYS A 53 3.768 -2.295 -6.959 1.00 0.00 H ATOM 820 N PRO A 54 1.938 -5.447 -6.312 1.00 0.00 N ATOM 821 CA PRO A 54 1.456 -6.424 -7.303 1.00 0.00 C ATOM 822 C PRO A 54 0.693 -5.705 -8.420 1.00 0.00 C ATOM 823 O PRO A 54 0.195 -6.321 -9.341 1.00 0.00 O ATOM 824 CB PRO A 54 0.521 -7.326 -6.493 1.00 0.00 C ATOM 825 CG PRO A 54 0.079 -6.502 -5.261 1.00 0.00 C ATOM 826 CD PRO A 54 1.133 -5.394 -5.075 1.00 0.00 C ATOM 827 HA PRO A 54 2.275 -7.000 -7.704 1.00 0.00 H ATOM 828 HB2 PRO A 54 -0.339 -7.597 -7.091 1.00 0.00 H ATOM 829 HB3 PRO A 54 1.045 -8.211 -6.169 1.00 0.00 H ATOM 830 HG2 PRO A 54 -0.894 -6.065 -5.438 1.00 0.00 H ATOM 831 HG3 PRO A 54 0.052 -7.130 -4.384 1.00 0.00 H ATOM 832 HD2 PRO A 54 0.653 -4.429 -4.973 1.00 0.00 H ATOM 833 HD3 PRO A 54 1.754 -5.602 -4.217 1.00 0.00 H ATOM 834 N ALA A 55 0.595 -4.402 -8.341 1.00 0.00 N ATOM 835 CA ALA A 55 -0.139 -3.642 -9.394 1.00 0.00 C ATOM 836 C ALA A 55 0.847 -2.812 -10.224 1.00 0.00 C ATOM 837 O ALA A 55 0.866 -2.890 -11.436 1.00 0.00 O ATOM 838 CB ALA A 55 -1.156 -2.709 -8.734 1.00 0.00 C ATOM 839 H ALA A 55 1.001 -3.924 -7.588 1.00 0.00 H ATOM 840 HA ALA A 55 -0.657 -4.335 -10.040 1.00 0.00 H ATOM 841 HB1 ALA A 55 -0.993 -2.696 -7.666 1.00 0.00 H ATOM 842 HB2 ALA A 55 -1.036 -1.710 -9.129 1.00 0.00 H ATOM 843 HB3 ALA A 55 -2.155 -3.060 -8.942 1.00 0.00 H ATOM 844 N CYS A 56 1.662 -2.012 -9.586 1.00 0.00 N ATOM 845 CA CYS A 56 2.632 -1.179 -10.355 1.00 0.00 C ATOM 846 C CYS A 56 4.054 -1.725 -10.166 1.00 0.00 C ATOM 847 O CYS A 56 4.982 -1.304 -10.826 1.00 0.00 O ATOM 848 CB CYS A 56 2.549 0.282 -9.875 1.00 0.00 C ATOM 849 SG CYS A 56 3.601 0.543 -8.417 1.00 0.00 S ATOM 850 H CYS A 56 1.631 -1.956 -8.609 1.00 0.00 H ATOM 851 HA CYS A 56 2.378 -1.221 -11.404 1.00 0.00 H ATOM 852 HB2 CYS A 56 2.875 0.937 -10.667 1.00 0.00 H ATOM 853 HB3 CYS A 56 1.525 0.514 -9.621 1.00 0.00 H ATOM 854 N ARG A 57 4.230 -2.648 -9.260 1.00 0.00 N ATOM 855 CA ARG A 57 5.590 -3.211 -9.019 1.00 0.00 C ATOM 856 C ARG A 57 6.479 -2.135 -8.395 1.00 0.00 C ATOM 857 O ARG A 57 7.346 -1.576 -9.036 1.00 0.00 O ATOM 858 CB ARG A 57 6.199 -3.684 -10.339 1.00 0.00 C ATOM 859 CG ARG A 57 6.120 -5.210 -10.412 1.00 0.00 C ATOM 860 CD ARG A 57 7.526 -5.788 -10.584 1.00 0.00 C ATOM 861 NE ARG A 57 7.436 -7.120 -11.248 1.00 0.00 N ATOM 862 CZ ARG A 57 8.519 -7.711 -11.674 1.00 0.00 C ATOM 863 NH1 ARG A 57 9.071 -8.654 -10.960 1.00 0.00 N ATOM 864 NH2 ARG A 57 9.050 -7.357 -12.812 1.00 0.00 N ATOM 865 H ARG A 57 3.468 -2.966 -8.731 1.00 0.00 H ATOM 866 HA ARG A 57 5.513 -4.048 -8.340 1.00 0.00 H ATOM 867 HB2 ARG A 57 5.651 -3.254 -11.165 1.00 0.00 H ATOM 868 HB3 ARG A 57 7.232 -3.376 -10.391 1.00 0.00 H ATOM 869 HG2 ARG A 57 5.684 -5.590 -9.500 1.00 0.00 H ATOM 870 HG3 ARG A 57 5.509 -5.499 -11.253 1.00 0.00 H ATOM 871 HD2 ARG A 57 8.118 -5.121 -11.193 1.00 0.00 H ATOM 872 HD3 ARG A 57 7.991 -5.900 -9.615 1.00 0.00 H ATOM 873 HE ARG A 57 6.564 -7.551 -11.363 1.00 0.00 H ATOM 874 HH11 ARG A 57 8.665 -8.924 -10.088 1.00 0.00 H ATOM 875 HH12 ARG A 57 9.900 -9.107 -11.288 1.00 0.00 H ATOM 876 HH21 ARG A 57 8.628 -6.633 -13.357 1.00 0.00 H ATOM 877 HH22 ARG A 57 9.879 -7.810 -13.138 1.00 0.00 H ATOM 878 N LYS A 58 6.268 -1.851 -7.142 1.00 0.00 N ATOM 879 CA LYS A 58 7.087 -0.823 -6.447 1.00 0.00 C ATOM 880 C LYS A 58 7.216 -1.225 -4.978 1.00 0.00 C ATOM 881 O LYS A 58 6.366 -1.915 -4.453 1.00 0.00 O ATOM 882 CB LYS A 58 6.397 0.541 -6.550 1.00 0.00 C ATOM 883 CG LYS A 58 6.782 1.209 -7.873 1.00 0.00 C ATOM 884 CD LYS A 58 6.575 2.721 -7.764 1.00 0.00 C ATOM 885 CE LYS A 58 7.890 3.390 -7.360 1.00 0.00 C ATOM 886 NZ LYS A 58 8.545 3.966 -8.569 1.00 0.00 N ATOM 887 H LYS A 58 5.568 -2.324 -6.650 1.00 0.00 H ATOM 888 HA LYS A 58 8.067 -0.773 -6.898 1.00 0.00 H ATOM 889 HB2 LYS A 58 5.326 0.407 -6.512 1.00 0.00 H ATOM 890 HB3 LYS A 58 6.712 1.166 -5.729 1.00 0.00 H ATOM 891 HG2 LYS A 58 7.819 1.002 -8.093 1.00 0.00 H ATOM 892 HG3 LYS A 58 6.161 0.820 -8.667 1.00 0.00 H ATOM 893 HD2 LYS A 58 6.251 3.109 -8.719 1.00 0.00 H ATOM 894 HD3 LYS A 58 5.823 2.929 -7.017 1.00 0.00 H ATOM 895 HE2 LYS A 58 7.689 4.178 -6.649 1.00 0.00 H ATOM 896 HE3 LYS A 58 8.544 2.657 -6.910 1.00 0.00 H ATOM 897 HZ1 LYS A 58 8.412 3.324 -9.375 1.00 0.00 H ATOM 898 HZ2 LYS A 58 8.118 4.887 -8.789 1.00 0.00 H ATOM 899 HZ3 LYS A 58 9.563 4.088 -8.386 1.00 0.00 H ATOM 900 N PRO A 59 8.273 -0.791 -4.356 1.00 0.00 N ATOM 901 CA PRO A 59 8.532 -1.109 -2.944 1.00 0.00 C ATOM 902 C PRO A 59 7.619 -0.284 -2.032 1.00 0.00 C ATOM 903 O PRO A 59 7.611 0.931 -2.075 1.00 0.00 O ATOM 904 CB PRO A 59 10.006 -0.738 -2.757 1.00 0.00 C ATOM 905 CG PRO A 59 10.348 0.270 -3.881 1.00 0.00 C ATOM 906 CD PRO A 59 9.301 0.058 -4.991 1.00 0.00 C ATOM 907 HA PRO A 59 8.391 -2.165 -2.767 1.00 0.00 H ATOM 908 HB2 PRO A 59 10.152 -0.282 -1.787 1.00 0.00 H ATOM 909 HB3 PRO A 59 10.626 -1.615 -2.854 1.00 0.00 H ATOM 910 HG2 PRO A 59 10.291 1.281 -3.501 1.00 0.00 H ATOM 911 HG3 PRO A 59 11.336 0.073 -4.269 1.00 0.00 H ATOM 912 HD2 PRO A 59 8.878 1.006 -5.296 1.00 0.00 H ATOM 913 HD3 PRO A 59 9.738 -0.453 -5.833 1.00 0.00 H ATOM 914 N TYR A 60 6.844 -0.941 -1.210 1.00 0.00 N ATOM 915 CA TYR A 60 5.922 -0.208 -0.297 1.00 0.00 C ATOM 916 C TYR A 60 6.697 0.861 0.476 1.00 0.00 C ATOM 917 O TYR A 60 7.903 0.781 0.598 1.00 0.00 O ATOM 918 CB TYR A 60 5.294 -1.196 0.692 1.00 0.00 C ATOM 919 CG TYR A 60 4.434 -2.199 -0.048 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.157 -2.023 -1.411 1.00 0.00 C ATOM 921 CD2 TYR A 60 3.911 -3.305 0.633 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.361 -2.949 -2.089 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.112 -4.233 -0.048 1.00 0.00 C ATOM 924 CZ TYR A 60 2.838 -4.054 -1.409 1.00 0.00 C ATOM 925 OH TYR A 60 2.051 -4.965 -2.080 1.00 0.00 O ATOM 926 H TYR A 60 6.864 -1.922 -1.199 1.00 0.00 H ATOM 927 HA TYR A 60 5.144 0.264 -0.877 1.00 0.00 H ATOM 928 HB2 TYR A 60 6.078 -1.719 1.222 1.00 0.00 H ATOM 929 HB3 TYR A 60 4.684 -0.656 1.401 1.00 0.00 H ATOM 930 HD1 TYR A 60 4.560 -1.170 -1.938 1.00 0.00 H ATOM 931 HD2 TYR A 60 4.123 -3.443 1.683 1.00 0.00 H ATOM 932 HE1 TYR A 60 3.149 -2.809 -3.137 1.00 0.00 H ATOM 933 HE2 TYR A 60 2.710 -5.086 0.477 1.00 0.00 H ATOM 934 HH TYR A 60 1.423 -4.477 -2.617 1.00 0.00 H ATOM 935 N PRO A 61 5.976 1.832 0.981 1.00 0.00 N ATOM 936 CA PRO A 61 6.567 2.935 1.756 1.00 0.00 C ATOM 937 C PRO A 61 6.904 2.470 3.178 1.00 0.00 C ATOM 938 O PRO A 61 7.060 1.291 3.435 1.00 0.00 O ATOM 939 CB PRO A 61 5.465 3.998 1.769 1.00 0.00 C ATOM 940 CG PRO A 61 4.136 3.252 1.508 1.00 0.00 C ATOM 941 CD PRO A 61 4.505 1.922 0.826 1.00 0.00 C ATOM 942 HA PRO A 61 7.445 3.319 1.262 1.00 0.00 H ATOM 943 HB2 PRO A 61 5.436 4.490 2.733 1.00 0.00 H ATOM 944 HB3 PRO A 61 5.636 4.721 0.988 1.00 0.00 H ATOM 945 HG2 PRO A 61 3.629 3.064 2.444 1.00 0.00 H ATOM 946 HG3 PRO A 61 3.506 3.834 0.853 1.00 0.00 H ATOM 947 HD2 PRO A 61 4.015 1.096 1.324 1.00 0.00 H ATOM 948 HD3 PRO A 61 4.238 1.947 -0.219 1.00 0.00 H