USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 640 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 445 THR OG1 : rot -13:sc= 1.12 USER MOD Set 1.2: A 508 THR OG1 : rot -34:sc= 1.27 USER MOD Single : A 444 SER OG : rot -20:sc= 0.362 USER MOD Single : A 447 MET CE :methyl -111:sc= -0.941 (180deg=-1.98) USER MOD Single : A 451 ASN : amide:sc= -3.79! C(o=-3.8!,f=-7!) USER MOD Single : A 452 MET CE :methyl -98:sc= -0.179 (180deg=-1.38!) USER MOD Single : A 456 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0545) USER MOD Single : A 467 THR OG1 : rot 91:sc= 1.17 USER MOD Single : A 470 CYS SG : rot 81:sc= -0.0343 USER MOD Single : A 472 LYS NZ :NH3+ -160:sc= -0.0283 (180deg=-0.53) USER MOD Single : A 477 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 482 TYR OH : rot 180:sc= 0 USER MOD Single : A 483 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 485 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 497 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 503 SER OG : rot 180:sc= 0 USER MOD Single : A 506 SER OG : rot 180:sc= 0 USER MOD Single : A 509 HIS : no HD1:sc= 0 X(o=0,f=-0.0097) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 513 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 516 ASN : amide:sc= -1.21! C(o=-1.2!,f=-1!) USER MOD Single : A 524 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 530 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 204 N SER A 444 1.598 14.016 9.091 1.00 0.00 N ATOM 205 CA SER A 444 2.078 12.709 8.657 1.00 0.00 C ATOM 206 C SER A 444 0.910 11.775 8.352 1.00 0.00 C ATOM 207 O SER A 444 0.477 11.002 9.208 1.00 0.00 O ATOM 208 CB SER A 444 2.974 12.089 9.730 1.00 0.00 C ATOM 209 OG SER A 444 2.440 12.299 11.025 1.00 0.00 O ATOM 0 HA SER A 444 2.658 12.847 7.745 1.00 0.00 H new ATOM 0 HB2 SER A 444 3.080 11.020 9.546 1.00 0.00 H new ATOM 0 HB3 SER A 444 3.972 12.523 9.670 1.00 0.00 H new ATOM 0 HG SER A 444 1.804 13.044 11.000 1.00 0.00 H new ATOM 215 N THR A 445 0.403 11.853 7.126 1.00 0.00 N ATOM 216 CA THR A 445 -0.715 11.017 6.707 1.00 0.00 C ATOM 217 C THR A 445 -0.225 9.733 6.049 1.00 0.00 C ATOM 218 O THR A 445 -0.986 9.040 5.372 1.00 0.00 O ATOM 219 CB THR A 445 -1.638 11.764 5.724 1.00 0.00 C ATOM 220 OG1 THR A 445 -2.653 10.880 5.237 1.00 0.00 O ATOM 221 CG2 THR A 445 -0.842 12.324 4.555 1.00 0.00 C ATOM 0 H THR A 445 0.749 12.487 6.406 1.00 0.00 H new ATOM 0 HA THR A 445 -1.278 10.769 7.607 1.00 0.00 H new ATOM 0 HB THR A 445 -2.104 12.593 6.256 1.00 0.00 H new ATOM 0 HG1 THR A 445 -2.423 9.957 5.472 1.00 0.00 H new ATOM 0 HG21 THR A 445 -1.514 12.847 3.874 1.00 0.00 H new ATOM 0 HG22 THR A 445 -0.089 13.019 4.927 1.00 0.00 H new ATOM 0 HG23 THR A 445 -0.351 11.508 4.025 1.00 0.00 H new ATOM 229 N VAL A 446 1.050 9.418 6.252 1.00 0.00 N ATOM 230 CA VAL A 446 1.642 8.215 5.680 1.00 0.00 C ATOM 231 C VAL A 446 1.807 7.128 6.736 1.00 0.00 C ATOM 232 O VAL A 446 2.607 7.265 7.662 1.00 0.00 O ATOM 233 CB VAL A 446 3.013 8.511 5.044 1.00 0.00 C ATOM 234 CG1 VAL A 446 3.619 7.241 4.465 1.00 0.00 C ATOM 235 CG2 VAL A 446 2.883 9.585 3.975 1.00 0.00 C ATOM 0 H VAL A 446 1.693 9.980 6.809 1.00 0.00 H new ATOM 0 HA VAL A 446 0.960 7.864 4.906 1.00 0.00 H new ATOM 0 HB VAL A 446 3.682 8.882 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 446 4.587 7.470 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 446 3.749 6.505 5.259 1.00 0.00 H new ATOM 0 HG13 VAL A 446 2.955 6.837 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 446 3.861 9.782 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 446 2.199 9.244 3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 446 2.496 10.500 4.424 1.00 0.00 H new ATOM 245 N MET A 447 1.046 6.048 6.591 1.00 0.00 N ATOM 246 CA MET A 447 1.110 4.936 7.532 1.00 0.00 C ATOM 247 C MET A 447 1.975 3.807 6.982 1.00 0.00 C ATOM 248 O MET A 447 2.208 3.721 5.776 1.00 0.00 O ATOM 249 CB MET A 447 -0.296 4.416 7.836 1.00 0.00 C ATOM 250 CG MET A 447 -0.309 3.031 8.462 1.00 0.00 C ATOM 251 SD MET A 447 -1.950 2.537 9.023 1.00 0.00 S ATOM 252 CE MET A 447 -2.706 2.051 7.474 1.00 0.00 C ATOM 0 H MET A 447 0.378 5.919 5.831 1.00 0.00 H new ATOM 0 HA MET A 447 1.562 5.299 8.455 1.00 0.00 H new ATOM 0 HB2 MET A 447 -0.795 5.114 8.508 1.00 0.00 H new ATOM 0 HB3 MET A 447 -0.874 4.394 6.912 1.00 0.00 H new ATOM 0 HG2 MET A 447 0.056 2.305 7.736 1.00 0.00 H new ATOM 0 HG3 MET A 447 0.380 3.012 9.306 1.00 0.00 H new ATOM 0 HE1 MET A 447 -3.485 2.766 7.209 1.00 0.00 H new ATOM 0 HE2 MET A 447 -1.949 2.032 6.690 1.00 0.00 H new ATOM 0 HE3 MET A 447 -3.145 1.059 7.579 1.00 0.00 H new ATOM 262 N VAL A 448 2.449 2.942 7.873 1.00 0.00 N ATOM 263 CA VAL A 448 3.288 1.817 7.476 1.00 0.00 C ATOM 264 C VAL A 448 2.890 0.546 8.218 1.00 0.00 C ATOM 265 O VAL A 448 2.766 0.543 9.444 1.00 0.00 O ATOM 266 CB VAL A 448 4.777 2.108 7.738 1.00 0.00 C ATOM 267 CG1 VAL A 448 4.976 2.646 9.147 1.00 0.00 C ATOM 268 CG2 VAL A 448 5.611 0.855 7.515 1.00 0.00 C ATOM 0 H VAL A 448 2.266 2.999 8.875 1.00 0.00 H new ATOM 0 HA VAL A 448 3.137 1.671 6.406 1.00 0.00 H new ATOM 0 HB VAL A 448 5.110 2.870 7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 448 6.034 2.846 9.314 1.00 0.00 H new ATOM 0 HG12 VAL A 448 4.409 3.569 9.267 1.00 0.00 H new ATOM 0 HG13 VAL A 448 4.627 1.909 9.870 1.00 0.00 H new ATOM 0 HG21 VAL A 448 6.661 1.078 7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 448 5.278 0.071 8.195 1.00 0.00 H new ATOM 0 HG23 VAL A 448 5.492 0.517 6.486 1.00 0.00 H new ATOM 278 N LEU A 449 2.692 -0.532 7.469 1.00 0.00 N ATOM 279 CA LEU A 449 2.309 -1.812 8.056 1.00 0.00 C ATOM 280 C LEU A 449 3.463 -2.807 7.993 1.00 0.00 C ATOM 281 O LEU A 449 4.041 -3.037 6.931 1.00 0.00 O ATOM 282 CB LEU A 449 1.089 -2.383 7.332 1.00 0.00 C ATOM 283 CG LEU A 449 -0.101 -1.435 7.172 1.00 0.00 C ATOM 284 CD1 LEU A 449 -1.239 -2.127 6.438 1.00 0.00 C ATOM 285 CD2 LEU A 449 -0.567 -0.931 8.530 1.00 0.00 C ATOM 0 H LEU A 449 2.790 -0.546 6.454 1.00 0.00 H new ATOM 0 HA LEU A 449 2.056 -1.642 9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 449 1.401 -2.713 6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 449 0.753 -3.268 7.872 1.00 0.00 H new ATOM 0 HG LEU A 449 0.218 -0.578 6.579 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -2.077 -1.438 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -0.899 -2.438 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -1.558 -3.002 7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -1.414 -0.258 8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -0.869 -1.777 9.148 1.00 0.00 H new ATOM 0 HD23 LEU A 449 0.248 -0.397 9.019 1.00 0.00 H new ATOM 297 N ARG A 450 3.793 -3.396 9.138 1.00 0.00 N ATOM 298 CA ARG A 450 4.877 -4.368 9.213 1.00 0.00 C ATOM 299 C ARG A 450 4.437 -5.617 9.972 1.00 0.00 C ATOM 300 O ARG A 450 3.642 -5.538 10.908 1.00 0.00 O ATOM 301 CB ARG A 450 6.099 -3.749 9.894 1.00 0.00 C ATOM 302 CG ARG A 450 5.753 -2.642 10.877 1.00 0.00 C ATOM 303 CD ARG A 450 6.806 -2.515 11.967 1.00 0.00 C ATOM 304 NE ARG A 450 6.872 -3.710 12.805 1.00 0.00 N ATOM 305 CZ ARG A 450 7.922 -4.023 13.555 1.00 0.00 C ATOM 306 NH1 ARG A 450 8.988 -3.235 13.573 1.00 0.00 N ATOM 307 NH2 ARG A 450 7.907 -5.127 14.291 1.00 0.00 N ATOM 0 H ARG A 450 3.325 -3.217 10.026 1.00 0.00 H new ATOM 0 HA ARG A 450 5.143 -4.657 8.196 1.00 0.00 H new ATOM 0 HB2 ARG A 450 6.647 -4.531 10.419 1.00 0.00 H new ATOM 0 HB3 ARG A 450 6.767 -3.350 9.130 1.00 0.00 H new ATOM 0 HG2 ARG A 450 5.664 -1.695 10.344 1.00 0.00 H new ATOM 0 HG3 ARG A 450 4.782 -2.846 11.329 1.00 0.00 H new ATOM 0 HD2 ARG A 450 7.780 -2.337 11.511 1.00 0.00 H new ATOM 0 HD3 ARG A 450 6.582 -1.648 12.589 1.00 0.00 H new ATOM 0 HE ARG A 450 6.068 -4.338 12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 450 9.003 -2.385 13.009 1.00 0.00 H new ATOM 0 HH12 ARG A 450 9.793 -3.479 14.150 1.00 0.00 H new ATOM 0 HH21 ARG A 450 7.089 -5.736 14.281 1.00 0.00 H new ATOM 0 HH22 ARG A 450 8.714 -5.367 14.867 1.00 0.00 H new ATOM 321 N ASN A 451 4.959 -6.767 9.560 1.00 0.00 N ATOM 322 CA ASN A 451 4.619 -8.033 10.200 1.00 0.00 C ATOM 323 C ASN A 451 3.211 -8.477 9.815 1.00 0.00 C ATOM 324 O ASN A 451 2.562 -9.222 10.548 1.00 0.00 O ATOM 325 CB ASN A 451 4.727 -7.905 11.721 1.00 0.00 C ATOM 326 CG ASN A 451 4.803 -9.253 12.411 1.00 0.00 C ATOM 327 OD1 ASN A 451 5.092 -10.270 11.781 1.00 0.00 O ATOM 328 ND2 ASN A 451 4.543 -9.266 13.713 1.00 0.00 N ATOM 0 H ASN A 451 5.619 -6.849 8.786 1.00 0.00 H new ATOM 0 HA ASN A 451 5.326 -8.787 9.854 1.00 0.00 H new ATOM 0 HB2 ASN A 451 5.613 -7.321 11.972 1.00 0.00 H new ATOM 0 HB3 ASN A 451 3.865 -7.355 12.099 1.00 0.00 H new ATOM 0 HD21 ASN A 451 4.579 -10.144 14.231 1.00 0.00 H new ATOM 0 HD22 ASN A 451 4.308 -8.398 14.195 1.00 0.00 H new ATOM 335 N MET A 452 2.746 -8.013 8.659 1.00 0.00 N ATOM 336 CA MET A 452 1.416 -8.364 8.175 1.00 0.00 C ATOM 337 C MET A 452 1.460 -9.637 7.336 1.00 0.00 C ATOM 338 O MET A 452 0.807 -10.629 7.660 1.00 0.00 O ATOM 339 CB MET A 452 0.831 -7.215 7.351 1.00 0.00 C ATOM 340 CG MET A 452 -0.628 -7.419 6.975 1.00 0.00 C ATOM 341 SD MET A 452 -1.244 -6.139 5.864 1.00 0.00 S ATOM 342 CE MET A 452 -2.021 -7.136 4.595 1.00 0.00 C ATOM 0 H MET A 452 3.270 -7.394 8.041 1.00 0.00 H new ATOM 0 HA MET A 452 0.777 -8.543 9.040 1.00 0.00 H new ATOM 0 HB2 MET A 452 0.926 -6.288 7.916 1.00 0.00 H new ATOM 0 HB3 MET A 452 1.419 -7.095 6.441 1.00 0.00 H new ATOM 0 HG2 MET A 452 -0.744 -8.393 6.500 1.00 0.00 H new ATOM 0 HG3 MET A 452 -1.234 -7.431 7.881 1.00 0.00 H new ATOM 0 HE1 MET A 452 -1.340 -7.246 3.751 1.00 0.00 H new ATOM 0 HE2 MET A 452 -2.259 -8.120 5.000 1.00 0.00 H new ATOM 0 HE3 MET A 452 -2.938 -6.650 4.261 1.00 0.00 H new ATOM 352 N VAL A 453 2.235 -9.602 6.256 1.00 0.00 N ATOM 353 CA VAL A 453 2.365 -10.753 5.371 1.00 0.00 C ATOM 354 C VAL A 453 3.808 -10.933 4.913 1.00 0.00 C ATOM 355 O VAL A 453 4.595 -9.987 4.921 1.00 0.00 O ATOM 356 CB VAL A 453 1.458 -10.615 4.134 1.00 0.00 C ATOM 357 CG1 VAL A 453 -0.001 -10.809 4.517 1.00 0.00 C ATOM 358 CG2 VAL A 453 1.667 -9.263 3.468 1.00 0.00 C ATOM 0 H VAL A 453 2.782 -8.789 5.973 1.00 0.00 H new ATOM 0 HA VAL A 453 2.056 -11.629 5.942 1.00 0.00 H new ATOM 0 HB VAL A 453 1.728 -11.392 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -0.627 -10.708 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -0.136 -11.802 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -0.288 -10.056 5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 453 1.018 -9.183 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 453 1.426 -8.468 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 453 2.707 -9.168 3.156 1.00 0.00 H new ATOM 368 N ASP A 454 4.147 -12.153 4.512 1.00 0.00 N ATOM 369 CA ASP A 454 5.495 -12.458 4.047 1.00 0.00 C ATOM 370 C ASP A 454 5.663 -12.078 2.579 1.00 0.00 C ATOM 371 O ASP A 454 4.692 -11.905 1.843 1.00 0.00 O ATOM 372 CB ASP A 454 5.801 -13.944 4.240 1.00 0.00 C ATOM 373 CG ASP A 454 6.421 -14.237 5.592 1.00 0.00 C ATOM 374 OD1 ASP A 454 7.036 -13.319 6.174 1.00 0.00 O ATOM 375 OD2 ASP A 454 6.294 -15.385 6.068 1.00 0.00 O ATOM 0 H ASP A 454 3.507 -12.947 4.500 1.00 0.00 H new ATOM 0 HA ASP A 454 6.198 -11.871 4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 454 4.881 -14.518 4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 454 6.478 -14.278 3.453 1.00 0.00 H new ATOM 380 N PRO A 455 6.925 -11.943 2.143 1.00 0.00 N ATOM 381 CA PRO A 455 7.250 -11.581 0.761 1.00 0.00 C ATOM 382 C PRO A 455 6.926 -12.700 -0.223 1.00 0.00 C ATOM 383 O PRO A 455 7.184 -12.583 -1.421 1.00 0.00 O ATOM 384 CB PRO A 455 8.759 -11.329 0.805 1.00 0.00 C ATOM 385 CG PRO A 455 9.245 -12.140 1.957 1.00 0.00 C ATOM 386 CD PRO A 455 8.131 -12.134 2.967 1.00 0.00 C ATOM 0 HA PRO A 455 6.671 -10.724 0.418 1.00 0.00 H new ATOM 0 HB2 PRO A 455 9.239 -11.635 -0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 455 8.980 -10.271 0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 455 9.484 -13.157 1.645 1.00 0.00 H new ATOM 0 HG3 PRO A 455 10.156 -11.714 2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 455 8.091 -13.068 3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 455 8.252 -11.331 3.694 1.00 0.00 H new ATOM 394 N LYS A 456 6.358 -13.786 0.290 1.00 0.00 N ATOM 395 CA LYS A 456 5.996 -14.927 -0.543 1.00 0.00 C ATOM 396 C LYS A 456 4.566 -14.794 -1.056 1.00 0.00 C ATOM 397 O LYS A 456 4.273 -15.136 -2.202 1.00 0.00 O ATOM 398 CB LYS A 456 6.146 -16.229 0.247 1.00 0.00 C ATOM 399 CG LYS A 456 7.548 -16.454 0.788 1.00 0.00 C ATOM 400 CD LYS A 456 7.711 -17.858 1.347 1.00 0.00 C ATOM 401 CE LYS A 456 9.105 -18.071 1.918 1.00 0.00 C ATOM 402 NZ LYS A 456 9.316 -17.295 3.170 1.00 0.00 N ATOM 0 H LYS A 456 6.138 -13.900 1.279 1.00 0.00 H new ATOM 0 HA LYS A 456 6.670 -14.948 -1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 456 5.441 -16.223 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 456 5.874 -17.067 -0.395 1.00 0.00 H new ATOM 0 HG2 LYS A 456 8.276 -16.291 -0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 456 7.759 -15.724 1.569 1.00 0.00 H new ATOM 0 HD2 LYS A 456 6.967 -18.030 2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 456 7.523 -18.588 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 456 9.257 -19.132 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 456 9.849 -17.776 1.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 456 10.222 -17.569 3.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 456 9.331 -16.279 2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 456 8.543 -17.494 3.836 1.00 0.00 H new ATOM 416 N ASP A 457 3.679 -14.294 -0.202 1.00 0.00 N ATOM 417 CA ASP A 457 2.280 -14.113 -0.571 1.00 0.00 C ATOM 418 C ASP A 457 2.103 -12.872 -1.440 1.00 0.00 C ATOM 419 O ASP A 457 1.107 -12.737 -2.151 1.00 0.00 O ATOM 420 CB ASP A 457 1.411 -14.002 0.682 1.00 0.00 C ATOM 421 CG ASP A 457 0.908 -15.351 1.160 1.00 0.00 C ATOM 422 OD1 ASP A 457 0.517 -16.174 0.306 1.00 0.00 O ATOM 423 OD2 ASP A 457 0.907 -15.582 2.386 1.00 0.00 O ATOM 0 H ASP A 457 3.904 -14.007 0.750 1.00 0.00 H new ATOM 0 HA ASP A 457 1.966 -14.984 -1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 457 1.986 -13.529 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 457 0.560 -13.353 0.474 1.00 0.00 H new ATOM 428 N ILE A 458 3.075 -11.968 -1.376 1.00 0.00 N ATOM 429 CA ILE A 458 3.025 -10.738 -2.156 1.00 0.00 C ATOM 430 C ILE A 458 2.675 -11.025 -3.612 1.00 0.00 C ATOM 431 O ILE A 458 3.348 -11.809 -4.281 1.00 0.00 O ATOM 432 CB ILE A 458 4.367 -9.983 -2.102 1.00 0.00 C ATOM 433 CG1 ILE A 458 4.771 -9.720 -0.650 1.00 0.00 C ATOM 434 CG2 ILE A 458 4.270 -8.676 -2.875 1.00 0.00 C ATOM 435 CD1 ILE A 458 3.798 -8.836 0.098 1.00 0.00 C ATOM 0 H ILE A 458 3.906 -12.064 -0.792 1.00 0.00 H new ATOM 0 HA ILE A 458 2.248 -10.115 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 458 5.135 -10.602 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 458 4.859 -10.673 -0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 458 5.757 -9.256 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 458 5.226 -8.154 -2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 458 4.022 -8.886 -3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 458 3.493 -8.051 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 458 4.148 -8.693 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 458 3.728 -7.869 -0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 458 2.816 -9.308 0.114 1.00 0.00 H new ATOM 447 N ASP A 459 1.618 -10.382 -4.098 1.00 0.00 N ATOM 448 CA ASP A 459 1.179 -10.566 -5.477 1.00 0.00 C ATOM 449 C ASP A 459 0.223 -9.453 -5.895 1.00 0.00 C ATOM 450 O ASP A 459 -0.270 -8.698 -5.058 1.00 0.00 O ATOM 451 CB ASP A 459 0.502 -11.927 -5.642 1.00 0.00 C ATOM 452 CG ASP A 459 0.630 -12.471 -7.051 1.00 0.00 C ATOM 453 OD1 ASP A 459 1.666 -12.206 -7.697 1.00 0.00 O ATOM 454 OD2 ASP A 459 -0.305 -13.160 -7.509 1.00 0.00 O ATOM 0 H ASP A 459 1.050 -9.729 -3.558 1.00 0.00 H new ATOM 0 HA ASP A 459 2.058 -10.527 -6.121 1.00 0.00 H new ATOM 0 HB2 ASP A 459 0.942 -12.636 -4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 459 -0.553 -11.838 -5.385 1.00 0.00 H new ATOM 459 N ASP A 460 -0.033 -9.358 -7.195 1.00 0.00 N ATOM 460 CA ASP A 460 -0.930 -8.338 -7.725 1.00 0.00 C ATOM 461 C ASP A 460 -2.291 -8.402 -7.040 1.00 0.00 C ATOM 462 O ASP A 460 -3.030 -7.417 -7.010 1.00 0.00 O ATOM 463 CB ASP A 460 -1.097 -8.510 -9.236 1.00 0.00 C ATOM 464 CG ASP A 460 -1.792 -9.808 -9.597 1.00 0.00 C ATOM 465 OD1 ASP A 460 -1.106 -10.849 -9.670 1.00 0.00 O ATOM 466 OD2 ASP A 460 -3.023 -9.782 -9.806 1.00 0.00 O ATOM 0 H ASP A 460 0.368 -9.975 -7.901 1.00 0.00 H new ATOM 0 HA ASP A 460 -0.488 -7.362 -7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 460 -1.670 -7.672 -9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 460 -0.117 -8.481 -9.713 1.00 0.00 H new ATOM 471 N ASP A 461 -2.617 -9.567 -6.492 1.00 0.00 N ATOM 472 CA ASP A 461 -3.890 -9.761 -5.806 1.00 0.00 C ATOM 473 C ASP A 461 -3.898 -9.042 -4.461 1.00 0.00 C ATOM 474 O ASP A 461 -4.880 -8.394 -4.096 1.00 0.00 O ATOM 475 CB ASP A 461 -4.163 -11.252 -5.603 1.00 0.00 C ATOM 476 CG ASP A 461 -4.794 -11.896 -6.822 1.00 0.00 C ATOM 477 OD1 ASP A 461 -4.518 -11.432 -7.948 1.00 0.00 O ATOM 478 OD2 ASP A 461 -5.565 -12.863 -6.649 1.00 0.00 O ATOM 0 H ASP A 461 -2.017 -10.392 -6.509 1.00 0.00 H new ATOM 0 HA ASP A 461 -4.678 -9.337 -6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 461 -3.228 -11.761 -5.370 1.00 0.00 H new ATOM 0 HB3 ASP A 461 -4.821 -11.384 -4.744 1.00 0.00 H new ATOM 483 N LEU A 462 -2.797 -9.160 -3.727 1.00 0.00 N ATOM 484 CA LEU A 462 -2.677 -8.522 -2.420 1.00 0.00 C ATOM 485 C LEU A 462 -2.855 -7.012 -2.533 1.00 0.00 C ATOM 486 O LEU A 462 -3.698 -6.425 -1.855 1.00 0.00 O ATOM 487 CB LEU A 462 -1.316 -8.841 -1.799 1.00 0.00 C ATOM 488 CG LEU A 462 -1.122 -8.404 -0.346 1.00 0.00 C ATOM 489 CD1 LEU A 462 -1.958 -9.266 0.587 1.00 0.00 C ATOM 490 CD2 LEU A 462 0.348 -8.469 0.039 1.00 0.00 C ATOM 0 H LEU A 462 -1.975 -9.691 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 462 -3.465 -8.915 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 462 -1.155 -9.917 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 462 -0.543 -8.370 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 462 -1.456 -7.371 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 462 -1.807 -8.940 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 462 -3.012 -9.168 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 462 -1.655 -10.308 0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 462 0.467 -8.155 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 462 0.709 -9.491 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 462 0.923 -7.808 -0.609 1.00 0.00 H new ATOM 502 N GLU A 463 -2.058 -6.389 -3.396 1.00 0.00 N ATOM 503 CA GLU A 463 -2.130 -4.947 -3.598 1.00 0.00 C ATOM 504 C GLU A 463 -3.575 -4.461 -3.541 1.00 0.00 C ATOM 505 O GLU A 463 -3.892 -3.501 -2.840 1.00 0.00 O ATOM 506 CB GLU A 463 -1.505 -4.566 -4.942 1.00 0.00 C ATOM 507 CG GLU A 463 -1.537 -3.074 -5.227 1.00 0.00 C ATOM 508 CD GLU A 463 -0.882 -2.718 -6.548 1.00 0.00 C ATOM 509 OE1 GLU A 463 0.343 -2.473 -6.555 1.00 0.00 O ATOM 510 OE2 GLU A 463 -1.593 -2.685 -7.573 1.00 0.00 O ATOM 0 H GLU A 463 -1.356 -6.860 -3.966 1.00 0.00 H new ATOM 0 HA GLU A 463 -1.571 -4.465 -2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 463 -0.471 -4.909 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 463 -2.031 -5.091 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 463 -2.572 -2.732 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 463 -1.032 -2.543 -4.420 1.00 0.00 H new ATOM 517 N GLY A 464 -4.449 -5.133 -4.285 1.00 0.00 N ATOM 518 CA GLY A 464 -5.850 -4.755 -4.306 1.00 0.00 C ATOM 519 C GLY A 464 -6.538 -5.004 -2.978 1.00 0.00 C ATOM 520 O GLY A 464 -7.254 -4.141 -2.472 1.00 0.00 O ATOM 0 H GLY A 464 -4.212 -5.932 -4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -5.934 -3.699 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -6.363 -5.315 -5.088 1.00 0.00 H new ATOM 524 N GLU A 465 -6.321 -6.188 -2.414 1.00 0.00 N ATOM 525 CA GLU A 465 -6.928 -6.549 -1.138 1.00 0.00 C ATOM 526 C GLU A 465 -6.641 -5.487 -0.080 1.00 0.00 C ATOM 527 O GLU A 465 -7.538 -5.062 0.648 1.00 0.00 O ATOM 528 CB GLU A 465 -6.408 -7.908 -0.666 1.00 0.00 C ATOM 529 CG GLU A 465 -6.817 -9.062 -1.566 1.00 0.00 C ATOM 530 CD GLU A 465 -6.844 -10.390 -0.836 1.00 0.00 C ATOM 531 OE1 GLU A 465 -7.131 -10.393 0.380 1.00 0.00 O ATOM 532 OE2 GLU A 465 -6.577 -11.427 -1.478 1.00 0.00 O ATOM 0 H GLU A 465 -5.730 -6.913 -2.820 1.00 0.00 H new ATOM 0 HA GLU A 465 -8.007 -6.612 -1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 465 -5.320 -7.871 -0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 465 -6.775 -8.097 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 465 -7.804 -8.861 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 465 -6.124 -9.127 -2.405 1.00 0.00 H new ATOM 539 N VAL A 466 -5.384 -5.063 -0.002 1.00 0.00 N ATOM 540 CA VAL A 466 -4.978 -4.051 0.966 1.00 0.00 C ATOM 541 C VAL A 466 -5.623 -2.705 0.657 1.00 0.00 C ATOM 542 O VAL A 466 -6.099 -2.010 1.556 1.00 0.00 O ATOM 543 CB VAL A 466 -3.447 -3.880 0.991 1.00 0.00 C ATOM 544 CG1 VAL A 466 -3.045 -2.812 1.996 1.00 0.00 C ATOM 545 CG2 VAL A 466 -2.769 -5.204 1.307 1.00 0.00 C ATOM 0 H VAL A 466 -4.629 -5.404 -0.597 1.00 0.00 H new ATOM 0 HA VAL A 466 -5.314 -4.396 1.944 1.00 0.00 H new ATOM 0 HB VAL A 466 -3.119 -3.556 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 466 -1.960 -2.706 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 466 -3.502 -1.862 1.720 1.00 0.00 H new ATOM 0 HG13 VAL A 466 -3.384 -3.102 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 466 -1.688 -5.065 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 466 -3.102 -5.559 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 466 -3.031 -5.938 0.545 1.00 0.00 H new ATOM 555 N THR A 467 -5.637 -2.341 -0.621 1.00 0.00 N ATOM 556 CA THR A 467 -6.224 -1.077 -1.050 1.00 0.00 C ATOM 557 C THR A 467 -7.651 -0.930 -0.533 1.00 0.00 C ATOM 558 O THR A 467 -8.005 0.092 0.055 1.00 0.00 O ATOM 559 CB THR A 467 -6.231 -0.953 -2.585 1.00 0.00 C ATOM 560 OG1 THR A 467 -4.915 -1.180 -3.101 1.00 0.00 O ATOM 561 CG2 THR A 467 -6.720 0.422 -3.014 1.00 0.00 C ATOM 0 H THR A 467 -5.248 -2.904 -1.378 1.00 0.00 H new ATOM 0 HA THR A 467 -5.605 -0.283 -0.632 1.00 0.00 H new ATOM 0 HB THR A 467 -6.912 -1.704 -2.985 1.00 0.00 H new ATOM 0 HG1 THR A 467 -4.801 -2.133 -3.300 1.00 0.00 H new ATOM 0 HG21 THR A 467 -6.716 0.486 -4.102 1.00 0.00 H new ATOM 0 HG22 THR A 467 -7.733 0.579 -2.645 1.00 0.00 H new ATOM 0 HG23 THR A 467 -6.061 1.187 -2.603 1.00 0.00 H new ATOM 569 N GLU A 468 -8.465 -1.957 -0.755 1.00 0.00 N ATOM 570 CA GLU A 468 -9.854 -1.940 -0.310 1.00 0.00 C ATOM 571 C GLU A 468 -9.938 -1.982 1.213 1.00 0.00 C ATOM 572 O GLU A 468 -10.608 -1.155 1.830 1.00 0.00 O ATOM 573 CB GLU A 468 -10.618 -3.124 -0.908 1.00 0.00 C ATOM 574 CG GLU A 468 -10.695 -3.095 -2.425 1.00 0.00 C ATOM 575 CD GLU A 468 -11.014 -4.453 -3.018 1.00 0.00 C ATOM 576 OE1 GLU A 468 -10.585 -5.471 -2.437 1.00 0.00 O ATOM 577 OE2 GLU A 468 -11.693 -4.498 -4.066 1.00 0.00 O ATOM 0 H GLU A 468 -8.187 -2.810 -1.240 1.00 0.00 H new ATOM 0 HA GLU A 468 -10.309 -1.012 -0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -10.138 -4.051 -0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -11.629 -3.136 -0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -11.458 -2.380 -2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -9.746 -2.741 -2.827 1.00 0.00 H new ATOM 584 N GLU A 469 -9.254 -2.953 1.811 1.00 0.00 N ATOM 585 CA GLU A 469 -9.253 -3.104 3.261 1.00 0.00 C ATOM 586 C GLU A 469 -8.998 -1.765 3.947 1.00 0.00 C ATOM 587 O GLU A 469 -9.611 -1.452 4.968 1.00 0.00 O ATOM 588 CB GLU A 469 -8.191 -4.119 3.690 1.00 0.00 C ATOM 589 CG GLU A 469 -8.702 -5.550 3.737 1.00 0.00 C ATOM 590 CD GLU A 469 -7.985 -6.391 4.775 1.00 0.00 C ATOM 591 OE1 GLU A 469 -6.763 -6.202 4.949 1.00 0.00 O ATOM 592 OE2 GLU A 469 -8.645 -7.238 5.412 1.00 0.00 O ATOM 0 H GLU A 469 -8.694 -3.646 1.314 1.00 0.00 H new ATOM 0 HA GLU A 469 -10.235 -3.467 3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 469 -7.349 -4.065 3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 469 -7.814 -3.844 4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 469 -9.770 -5.544 3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 469 -8.579 -6.008 2.756 1.00 0.00 H new ATOM 599 N CYS A 470 -8.088 -0.980 3.380 1.00 0.00 N ATOM 600 CA CYS A 470 -7.750 0.325 3.937 1.00 0.00 C ATOM 601 C CYS A 470 -8.851 1.341 3.650 1.00 0.00 C ATOM 602 O CYS A 470 -9.159 2.190 4.485 1.00 0.00 O ATOM 603 CB CYS A 470 -6.421 0.819 3.363 1.00 0.00 C ATOM 604 SG CYS A 470 -4.976 -0.090 3.959 1.00 0.00 S ATOM 0 H CYS A 470 -7.571 -1.225 2.535 1.00 0.00 H new ATOM 0 HA CYS A 470 -7.653 0.217 5.017 1.00 0.00 H new ATOM 0 HB2 CYS A 470 -6.458 0.748 2.276 1.00 0.00 H new ATOM 0 HB3 CYS A 470 -6.301 1.874 3.610 1.00 0.00 H new ATOM 0 HG CYS A 470 -4.852 -1.196 3.287 1.00 0.00 H new ATOM 610 N GLY A 471 -9.440 1.247 2.462 1.00 0.00 N ATOM 611 CA GLY A 471 -10.499 2.165 2.085 1.00 0.00 C ATOM 612 C GLY A 471 -11.507 2.376 3.197 1.00 0.00 C ATOM 613 O GLY A 471 -12.154 3.421 3.269 1.00 0.00 O ATOM 0 H GLY A 471 -9.203 0.552 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 471 -10.062 3.124 1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 471 -11.011 1.781 1.203 1.00 0.00 H new ATOM 617 N LYS A 472 -11.642 1.381 4.067 1.00 0.00 N ATOM 618 CA LYS A 472 -12.579 1.461 5.182 1.00 0.00 C ATOM 619 C LYS A 472 -12.239 2.635 6.095 1.00 0.00 C ATOM 620 O LYS A 472 -13.084 3.489 6.365 1.00 0.00 O ATOM 621 CB LYS A 472 -12.562 0.157 5.983 1.00 0.00 C ATOM 622 CG LYS A 472 -13.425 -0.938 5.380 1.00 0.00 C ATOM 623 CD LYS A 472 -12.839 -1.455 4.077 1.00 0.00 C ATOM 624 CE LYS A 472 -13.631 -2.637 3.540 1.00 0.00 C ATOM 625 NZ LYS A 472 -12.890 -3.362 2.471 1.00 0.00 N ATOM 0 H LYS A 472 -11.114 0.509 4.022 1.00 0.00 H new ATOM 0 HA LYS A 472 -13.578 1.618 4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 472 -11.535 -0.201 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 472 -12.903 0.359 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 472 -13.519 -1.760 6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 472 -14.429 -0.554 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 472 -12.832 -0.654 3.337 1.00 0.00 H new ATOM 0 HD3 LYS A 472 -11.802 -1.752 4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 472 -13.856 -3.324 4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 472 -14.585 -2.286 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 472 -13.558 -3.924 1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 472 -12.408 -2.676 1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 472 -12.186 -3.994 2.904 1.00 0.00 H new ATOM 639 N PHE A 473 -10.996 2.673 6.565 1.00 0.00 N ATOM 640 CA PHE A 473 -10.545 3.743 7.447 1.00 0.00 C ATOM 641 C PHE A 473 -10.905 5.110 6.872 1.00 0.00 C ATOM 642 O PHE A 473 -11.376 5.992 7.589 1.00 0.00 O ATOM 643 CB PHE A 473 -9.033 3.650 7.663 1.00 0.00 C ATOM 644 CG PHE A 473 -8.565 2.274 8.042 1.00 0.00 C ATOM 645 CD1 PHE A 473 -8.860 1.746 9.288 1.00 0.00 C ATOM 646 CD2 PHE A 473 -7.829 1.509 7.152 1.00 0.00 C ATOM 647 CE1 PHE A 473 -8.431 0.480 9.640 1.00 0.00 C ATOM 648 CE2 PHE A 473 -7.397 0.242 7.497 1.00 0.00 C ATOM 649 CZ PHE A 473 -7.698 -0.272 8.743 1.00 0.00 C ATOM 0 H PHE A 473 -10.284 1.975 6.350 1.00 0.00 H new ATOM 0 HA PHE A 473 -11.050 3.628 8.406 1.00 0.00 H new ATOM 0 HB2 PHE A 473 -8.524 3.960 6.750 1.00 0.00 H new ATOM 0 HB3 PHE A 473 -8.742 4.352 8.444 1.00 0.00 H new ATOM 0 HD1 PHE A 473 -9.432 2.331 9.993 1.00 0.00 H new ATOM 0 HD2 PHE A 473 -7.590 1.907 6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 473 -8.669 0.080 10.615 1.00 0.00 H new ATOM 0 HE2 PHE A 473 -6.825 -0.345 6.793 1.00 0.00 H new ATOM 0 HZ PHE A 473 -7.361 -1.261 9.016 1.00 0.00 H new ATOM 659 N GLY A 474 -10.679 5.277 5.573 1.00 0.00 N ATOM 660 CA GLY A 474 -10.984 6.538 4.923 1.00 0.00 C ATOM 661 C GLY A 474 -10.669 6.518 3.441 1.00 0.00 C ATOM 662 O GLY A 474 -10.954 5.539 2.752 1.00 0.00 O ATOM 0 H GLY A 474 -10.290 4.561 4.959 1.00 0.00 H new ATOM 0 HA2 GLY A 474 -12.040 6.770 5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 474 -10.416 7.336 5.401 1.00 0.00 H new ATOM 666 N ALA A 475 -10.080 7.603 2.948 1.00 0.00 N ATOM 667 CA ALA A 475 -9.725 7.706 1.538 1.00 0.00 C ATOM 668 C ALA A 475 -8.258 7.357 1.314 1.00 0.00 C ATOM 669 O ALA A 475 -7.363 8.079 1.754 1.00 0.00 O ATOM 670 CB ALA A 475 -10.022 9.105 1.020 1.00 0.00 C ATOM 0 H ALA A 475 -9.839 8.423 3.505 1.00 0.00 H new ATOM 0 HA ALA A 475 -10.330 6.989 0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 475 -9.752 9.168 -0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 475 -11.085 9.318 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 475 -9.442 9.834 1.587 1.00 0.00 H new ATOM 676 N VAL A 476 -8.017 6.244 0.627 1.00 0.00 N ATOM 677 CA VAL A 476 -6.657 5.800 0.345 1.00 0.00 C ATOM 678 C VAL A 476 -6.051 6.586 -0.812 1.00 0.00 C ATOM 679 O VAL A 476 -6.545 6.535 -1.937 1.00 0.00 O ATOM 680 CB VAL A 476 -6.616 4.298 0.007 1.00 0.00 C ATOM 681 CG1 VAL A 476 -5.207 3.875 -0.378 1.00 0.00 C ATOM 682 CG2 VAL A 476 -7.128 3.474 1.179 1.00 0.00 C ATOM 0 H VAL A 476 -8.746 5.634 0.256 1.00 0.00 H new ATOM 0 HA VAL A 476 -6.072 5.978 1.248 1.00 0.00 H new ATOM 0 HB VAL A 476 -7.269 4.118 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.198 2.811 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -4.882 4.442 -1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -4.529 4.068 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -7.092 2.415 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -6.503 3.657 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -8.156 3.758 1.402 1.00 0.00 H new ATOM 692 N ASN A 477 -4.976 7.314 -0.526 1.00 0.00 N ATOM 693 CA ASN A 477 -4.302 8.113 -1.543 1.00 0.00 C ATOM 694 C ASN A 477 -3.470 7.228 -2.467 1.00 0.00 C ATOM 695 O ASN A 477 -3.609 7.284 -3.689 1.00 0.00 O ATOM 696 CB ASN A 477 -3.407 9.165 -0.885 1.00 0.00 C ATOM 697 CG ASN A 477 -3.207 10.385 -1.764 1.00 0.00 C ATOM 698 OD1 ASN A 477 -2.330 10.403 -2.628 1.00 0.00 O ATOM 699 ND2 ASN A 477 -4.020 11.411 -1.545 1.00 0.00 N ATOM 0 H ASN A 477 -4.553 7.367 0.401 1.00 0.00 H new ATOM 0 HA ASN A 477 -5.064 8.615 -2.139 1.00 0.00 H new ATOM 0 HB2 ASN A 477 -3.848 9.472 0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 477 -2.438 8.722 -0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 477 -3.932 12.260 -2.104 1.00 0.00 H new ATOM 0 HD22 ASN A 477 -4.733 11.351 -0.818 1.00 0.00 H new ATOM 706 N ARG A 478 -2.606 6.410 -1.874 1.00 0.00 N ATOM 707 CA ARG A 478 -1.751 5.513 -2.642 1.00 0.00 C ATOM 708 C ARG A 478 -1.157 4.429 -1.748 1.00 0.00 C ATOM 709 O ARG A 478 -1.081 4.587 -0.529 1.00 0.00 O ATOM 710 CB ARG A 478 -0.630 6.301 -3.321 1.00 0.00 C ATOM 711 CG ARG A 478 0.426 6.813 -2.355 1.00 0.00 C ATOM 712 CD ARG A 478 1.645 7.344 -3.093 1.00 0.00 C ATOM 713 NE ARG A 478 2.293 6.311 -3.896 1.00 0.00 N ATOM 714 CZ ARG A 478 3.564 6.366 -4.278 1.00 0.00 C ATOM 715 NH1 ARG A 478 4.320 7.399 -3.932 1.00 0.00 N ATOM 716 NH2 ARG A 478 4.082 5.387 -5.008 1.00 0.00 N ATOM 0 H ARG A 478 -2.480 6.350 -0.864 1.00 0.00 H new ATOM 0 HA ARG A 478 -2.363 5.033 -3.406 1.00 0.00 H new ATOM 0 HB2 ARG A 478 -0.151 5.666 -4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 478 -1.064 7.147 -3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 478 0.002 7.603 -1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 478 0.727 6.009 -1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 478 1.346 8.170 -3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 478 2.359 7.744 -2.373 1.00 0.00 H new ATOM 0 HE ARG A 478 1.739 5.503 -4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 478 3.926 8.154 -3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 478 5.296 7.438 -4.227 1.00 0.00 H new ATOM 0 HH21 ARG A 478 3.504 4.591 -5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 478 5.058 5.431 -5.301 1.00 0.00 H new ATOM 730 N VAL A 479 -0.737 3.327 -2.361 1.00 0.00 N ATOM 731 CA VAL A 479 -0.150 2.217 -1.622 1.00 0.00 C ATOM 732 C VAL A 479 1.217 1.844 -2.184 1.00 0.00 C ATOM 733 O VAL A 479 1.460 1.967 -3.385 1.00 0.00 O ATOM 734 CB VAL A 479 -1.061 0.976 -1.653 1.00 0.00 C ATOM 735 CG1 VAL A 479 -0.356 -0.221 -1.034 1.00 0.00 C ATOM 736 CG2 VAL A 479 -2.373 1.261 -0.938 1.00 0.00 C ATOM 0 H VAL A 479 -0.793 3.180 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 479 -0.037 2.550 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 479 -1.284 0.737 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 479 -1.016 -1.088 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 479 0.554 -0.437 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 479 -0.100 0.003 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 479 -3.005 0.373 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 479 -2.172 1.526 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 479 -2.884 2.088 -1.431 1.00 0.00 H new ATOM 746 N ILE A 480 2.107 1.388 -1.309 1.00 0.00 N ATOM 747 CA ILE A 480 3.450 0.996 -1.719 1.00 0.00 C ATOM 748 C ILE A 480 3.942 -0.202 -0.914 1.00 0.00 C ATOM 749 O ILE A 480 3.756 -0.265 0.302 1.00 0.00 O ATOM 750 CB ILE A 480 4.449 2.156 -1.556 1.00 0.00 C ATOM 751 CG1 ILE A 480 4.030 3.345 -2.422 1.00 0.00 C ATOM 752 CG2 ILE A 480 5.854 1.699 -1.919 1.00 0.00 C ATOM 753 CD1 ILE A 480 4.712 4.640 -2.041 1.00 0.00 C ATOM 0 H ILE A 480 1.922 1.281 -0.312 1.00 0.00 H new ATOM 0 HA ILE A 480 3.392 0.723 -2.773 1.00 0.00 H new ATOM 0 HB ILE A 480 4.448 2.473 -0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 480 4.252 3.120 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 480 2.951 3.476 -2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 480 6.549 2.530 -1.799 1.00 0.00 H new ATOM 0 HG22 ILE A 480 6.151 0.880 -1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 480 5.870 1.359 -2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 480 4.367 5.439 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 480 4.470 4.888 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 480 5.791 4.527 -2.144 1.00 0.00 H new ATOM 765 N ILE A 481 4.573 -1.150 -1.600 1.00 0.00 N ATOM 766 CA ILE A 481 5.095 -2.344 -0.948 1.00 0.00 C ATOM 767 C ILE A 481 6.612 -2.423 -1.079 1.00 0.00 C ATOM 768 O ILE A 481 7.139 -2.716 -2.152 1.00 0.00 O ATOM 769 CB ILE A 481 4.473 -3.624 -1.536 1.00 0.00 C ATOM 770 CG1 ILE A 481 2.949 -3.581 -1.409 1.00 0.00 C ATOM 771 CG2 ILE A 481 5.034 -4.855 -0.839 1.00 0.00 C ATOM 772 CD1 ILE A 481 2.238 -4.535 -2.343 1.00 0.00 C ATOM 0 H ILE A 481 4.735 -1.114 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 481 4.827 -2.271 0.106 1.00 0.00 H new ATOM 0 HB ILE A 481 4.729 -3.682 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 481 2.671 -3.817 -0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 481 2.604 -2.566 -1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 481 4.584 -5.751 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 481 6.115 -4.890 -0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 481 4.805 -4.806 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 481 1.161 -4.451 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 481 2.486 -4.287 -3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 481 2.554 -5.556 -2.130 1.00 0.00 H new ATOM 784 N TYR A 482 7.310 -2.161 0.021 1.00 0.00 N ATOM 785 CA TYR A 482 8.767 -2.202 0.029 1.00 0.00 C ATOM 786 C TYR A 482 9.274 -3.412 0.809 1.00 0.00 C ATOM 787 O TYR A 482 8.734 -3.756 1.860 1.00 0.00 O ATOM 788 CB TYR A 482 9.331 -0.917 0.638 1.00 0.00 C ATOM 789 CG TYR A 482 10.717 -0.570 0.144 1.00 0.00 C ATOM 790 CD1 TYR A 482 10.904 0.037 -1.092 1.00 0.00 C ATOM 791 CD2 TYR A 482 11.840 -0.850 0.912 1.00 0.00 C ATOM 792 CE1 TYR A 482 12.169 0.354 -1.548 1.00 0.00 C ATOM 793 CE2 TYR A 482 13.108 -0.535 0.465 1.00 0.00 C ATOM 794 CZ TYR A 482 13.268 0.067 -0.766 1.00 0.00 C ATOM 795 OH TYR A 482 14.530 0.382 -1.215 1.00 0.00 O ATOM 0 H TYR A 482 6.890 -1.918 0.918 1.00 0.00 H new ATOM 0 HA TYR A 482 9.108 -2.288 -1.003 1.00 0.00 H new ATOM 0 HB2 TYR A 482 8.657 -0.091 0.412 1.00 0.00 H new ATOM 0 HB3 TYR A 482 9.356 -1.020 1.723 1.00 0.00 H new ATOM 0 HD1 TYR A 482 10.046 0.265 -1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 482 11.719 -1.322 1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 482 12.297 0.824 -2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 482 13.970 -0.759 1.076 1.00 0.00 H new ATOM 0 HH TYR A 482 15.192 0.115 -0.544 1.00 0.00 H new ATOM 805 N GLN A 483 10.315 -4.051 0.286 1.00 0.00 N ATOM 806 CA GLN A 483 10.895 -5.222 0.932 1.00 0.00 C ATOM 807 C GLN A 483 12.403 -5.276 0.709 1.00 0.00 C ATOM 808 O GLN A 483 12.871 -5.270 -0.429 1.00 0.00 O ATOM 809 CB GLN A 483 10.243 -6.500 0.401 1.00 0.00 C ATOM 810 CG GLN A 483 10.310 -6.633 -1.112 1.00 0.00 C ATOM 811 CD GLN A 483 9.588 -7.865 -1.621 1.00 0.00 C ATOM 812 OE1 GLN A 483 10.209 -8.888 -1.910 1.00 0.00 O ATOM 813 NE2 GLN A 483 8.268 -7.773 -1.735 1.00 0.00 N ATOM 0 H GLN A 483 10.774 -3.778 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 483 10.707 -5.145 2.003 1.00 0.00 H new ATOM 0 HB2 GLN A 483 10.730 -7.363 0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 483 9.199 -6.522 0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 483 9.874 -5.745 -1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 483 11.354 -6.673 -1.424 1.00 0.00 H new ATOM 0 HE21 GLN A 483 7.794 -6.906 -1.484 1.00 0.00 H new ATOM 0 HE22 GLN A 483 7.729 -8.570 -2.073 1.00 0.00 H new ATOM 822 N GLU A 484 13.157 -5.328 1.803 1.00 0.00 N ATOM 823 CA GLU A 484 14.612 -5.382 1.725 1.00 0.00 C ATOM 824 C GLU A 484 15.169 -6.441 2.672 1.00 0.00 C ATOM 825 O GLU A 484 14.555 -6.766 3.688 1.00 0.00 O ATOM 826 CB GLU A 484 15.213 -4.016 2.060 1.00 0.00 C ATOM 827 CG GLU A 484 16.714 -3.940 1.836 1.00 0.00 C ATOM 828 CD GLU A 484 17.082 -3.871 0.367 1.00 0.00 C ATOM 829 OE1 GLU A 484 16.706 -2.880 -0.294 1.00 0.00 O ATOM 830 OE2 GLU A 484 17.748 -4.808 -0.122 1.00 0.00 O ATOM 0 H GLU A 484 12.785 -5.334 2.753 1.00 0.00 H new ATOM 0 HA GLU A 484 14.886 -5.652 0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 484 14.724 -3.255 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 484 14.997 -3.779 3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 484 17.110 -3.063 2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 484 17.189 -4.812 2.285 1.00 0.00 H new ATOM 837 N LYS A 485 16.336 -6.976 2.331 1.00 0.00 N ATOM 838 CA LYS A 485 16.978 -7.998 3.149 1.00 0.00 C ATOM 839 C LYS A 485 17.405 -7.427 4.497 1.00 0.00 C ATOM 840 O LYS A 485 18.109 -6.419 4.558 1.00 0.00 O ATOM 841 CB LYS A 485 18.193 -8.576 2.419 1.00 0.00 C ATOM 842 CG LYS A 485 18.803 -9.782 3.114 1.00 0.00 C ATOM 843 CD LYS A 485 19.643 -10.610 2.156 1.00 0.00 C ATOM 844 CE LYS A 485 18.774 -11.463 1.246 1.00 0.00 C ATOM 845 NZ LYS A 485 19.572 -12.485 0.514 1.00 0.00 N ATOM 0 H LYS A 485 16.857 -6.719 1.493 1.00 0.00 H new ATOM 0 HA LYS A 485 16.255 -8.795 3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 485 17.898 -8.860 1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 485 18.952 -7.800 2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 485 19.422 -9.449 3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 485 18.010 -10.401 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 485 20.265 -9.949 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 485 20.317 -11.252 2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 485 18.005 -11.959 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 485 18.260 -10.822 0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 485 18.943 -13.046 -0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 485 20.289 -12.011 -0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 485 20.042 -13.113 1.197 1.00 0.00 H new ATOM 950 N GLU A 493 16.582 -13.325 6.781 1.00 0.00 N ATOM 951 CA GLU A 493 15.148 -13.069 6.825 1.00 0.00 C ATOM 952 C GLU A 493 14.788 -11.842 5.991 1.00 0.00 C ATOM 953 O GLU A 493 15.610 -10.945 5.803 1.00 0.00 O ATOM 954 CB GLU A 493 14.687 -12.869 8.270 1.00 0.00 C ATOM 955 CG GLU A 493 13.224 -12.478 8.394 1.00 0.00 C ATOM 956 CD GLU A 493 12.675 -12.704 9.789 1.00 0.00 C ATOM 957 OE1 GLU A 493 12.876 -13.810 10.334 1.00 0.00 O ATOM 958 OE2 GLU A 493 12.045 -11.775 10.337 1.00 0.00 O ATOM 0 HA GLU A 493 14.638 -13.936 6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 493 14.857 -13.790 8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 493 15.301 -12.098 8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 493 13.109 -11.427 8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 493 12.636 -13.054 7.679 1.00 0.00 H new ATOM 965 N ILE A 494 13.557 -11.812 5.494 1.00 0.00 N ATOM 966 CA ILE A 494 13.088 -10.697 4.681 1.00 0.00 C ATOM 967 C ILE A 494 11.862 -10.039 5.305 1.00 0.00 C ATOM 968 O ILE A 494 10.970 -10.720 5.812 1.00 0.00 O ATOM 969 CB ILE A 494 12.742 -11.149 3.250 1.00 0.00 C ATOM 970 CG1 ILE A 494 13.935 -11.868 2.617 1.00 0.00 C ATOM 971 CG2 ILE A 494 12.326 -9.956 2.403 1.00 0.00 C ATOM 972 CD1 ILE A 494 15.174 -11.006 2.513 1.00 0.00 C ATOM 0 H ILE A 494 12.866 -12.548 5.640 1.00 0.00 H new ATOM 0 HA ILE A 494 13.903 -9.974 4.637 1.00 0.00 H new ATOM 0 HB ILE A 494 11.905 -11.845 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 494 14.168 -12.756 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 494 13.656 -12.210 1.621 1.00 0.00 H new ATOM 0 HG21 ILE A 494 12.085 -10.292 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 494 11.450 -9.482 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 494 13.144 -9.237 2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 494 15.979 -11.580 2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 494 14.958 -10.131 1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 494 15.478 -10.685 3.509 1.00 0.00 H new ATOM 984 N ILE A 495 11.824 -8.711 5.262 1.00 0.00 N ATOM 985 CA ILE A 495 10.705 -7.962 5.820 1.00 0.00 C ATOM 986 C ILE A 495 9.818 -7.394 4.716 1.00 0.00 C ATOM 987 O ILE A 495 10.116 -7.538 3.530 1.00 0.00 O ATOM 988 CB ILE A 495 11.192 -6.808 6.716 1.00 0.00 C ATOM 989 CG1 ILE A 495 11.995 -5.798 5.893 1.00 0.00 C ATOM 990 CG2 ILE A 495 12.029 -7.347 7.866 1.00 0.00 C ATOM 991 CD1 ILE A 495 11.141 -4.944 4.983 1.00 0.00 C ATOM 0 H ILE A 495 12.554 -8.133 4.847 1.00 0.00 H new ATOM 0 HA ILE A 495 10.127 -8.661 6.424 1.00 0.00 H new ATOM 0 HB ILE A 495 10.323 -6.299 7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 495 12.550 -5.149 6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 495 12.729 -6.334 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 495 12.366 -6.519 8.490 1.00 0.00 H new ATOM 0 HG22 ILE A 495 11.427 -8.031 8.464 1.00 0.00 H new ATOM 0 HG23 ILE A 495 12.894 -7.877 7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 495 11.777 -4.252 4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 495 10.605 -5.583 4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 495 10.424 -4.380 5.580 1.00 0.00 H new ATOM 1003 N VAL A 496 8.728 -6.748 5.115 1.00 0.00 N ATOM 1004 CA VAL A 496 7.798 -6.155 4.160 1.00 0.00 C ATOM 1005 C VAL A 496 7.070 -4.963 4.770 1.00 0.00 C ATOM 1006 O VAL A 496 6.190 -5.124 5.615 1.00 0.00 O ATOM 1007 CB VAL A 496 6.760 -7.184 3.676 1.00 0.00 C ATOM 1008 CG1 VAL A 496 5.755 -6.529 2.741 1.00 0.00 C ATOM 1009 CG2 VAL A 496 7.449 -8.356 2.994 1.00 0.00 C ATOM 0 H VAL A 496 8.466 -6.621 6.093 1.00 0.00 H new ATOM 0 HA VAL A 496 8.389 -5.818 3.309 1.00 0.00 H new ATOM 0 HB VAL A 496 6.220 -7.564 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 496 5.029 -7.271 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 496 5.238 -5.726 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 496 6.276 -6.119 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 496 6.700 -9.073 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 496 8.016 -7.995 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 496 8.125 -8.840 3.698 1.00 0.00 H new ATOM 1019 N LYS A 497 7.443 -3.764 4.336 1.00 0.00 N ATOM 1020 CA LYS A 497 6.825 -2.542 4.836 1.00 0.00 C ATOM 1021 C LYS A 497 5.809 -1.997 3.837 1.00 0.00 C ATOM 1022 O LYS A 497 6.176 -1.509 2.768 1.00 0.00 O ATOM 1023 CB LYS A 497 7.894 -1.484 5.120 1.00 0.00 C ATOM 1024 CG LYS A 497 8.503 -1.592 6.507 1.00 0.00 C ATOM 1025 CD LYS A 497 9.392 -0.399 6.820 1.00 0.00 C ATOM 1026 CE LYS A 497 10.810 -0.613 6.314 1.00 0.00 C ATOM 1027 NZ LYS A 497 11.484 0.675 5.992 1.00 0.00 N ATOM 0 H LYS A 497 8.171 -3.612 3.638 1.00 0.00 H new ATOM 0 HA LYS A 497 6.304 -2.782 5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 497 8.686 -1.571 4.377 1.00 0.00 H new ATOM 0 HB3 LYS A 497 7.454 -0.494 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 497 7.708 -1.660 7.250 1.00 0.00 H new ATOM 0 HG3 LYS A 497 9.086 -2.510 6.579 1.00 0.00 H new ATOM 0 HD2 LYS A 497 8.973 0.498 6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 497 9.410 -0.230 7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 497 11.388 -1.147 7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 497 10.787 -1.243 5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 497 12.448 0.486 5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 497 10.947 1.173 5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 497 11.529 1.266 6.846 1.00 0.00 H new ATOM 1041 N ILE A 498 4.531 -2.083 4.194 1.00 0.00 N ATOM 1042 CA ILE A 498 3.463 -1.596 3.329 1.00 0.00 C ATOM 1043 C ILE A 498 3.056 -0.176 3.706 1.00 0.00 C ATOM 1044 O ILE A 498 2.444 0.050 4.750 1.00 0.00 O ATOM 1045 CB ILE A 498 2.225 -2.509 3.397 1.00 0.00 C ATOM 1046 CG1 ILE A 498 2.607 -3.951 3.054 1.00 0.00 C ATOM 1047 CG2 ILE A 498 1.143 -2.004 2.454 1.00 0.00 C ATOM 1048 CD1 ILE A 498 1.579 -4.969 3.494 1.00 0.00 C ATOM 0 H ILE A 498 4.211 -2.485 5.075 1.00 0.00 H new ATOM 0 HA ILE A 498 3.853 -1.601 2.311 1.00 0.00 H new ATOM 0 HB ILE A 498 1.833 -2.489 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 498 2.751 -4.034 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 498 3.563 -4.186 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 498 0.274 -2.659 2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 498 0.855 -0.992 2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 498 1.524 -1.998 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 498 1.916 -5.968 3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 498 1.452 -4.914 4.575 1.00 0.00 H new ATOM 0 HD13 ILE A 498 0.627 -4.759 3.006 1.00 0.00 H new ATOM 1060 N PHE A 499 3.397 0.779 2.847 1.00 0.00 N ATOM 1061 CA PHE A 499 3.066 2.178 3.088 1.00 0.00 C ATOM 1062 C PHE A 499 1.686 2.515 2.531 1.00 0.00 C ATOM 1063 O PHE A 499 1.386 2.231 1.371 1.00 0.00 O ATOM 1064 CB PHE A 499 4.120 3.090 2.456 1.00 0.00 C ATOM 1065 CG PHE A 499 5.520 2.792 2.910 1.00 0.00 C ATOM 1066 CD1 PHE A 499 6.018 3.351 4.076 1.00 0.00 C ATOM 1067 CD2 PHE A 499 6.339 1.954 2.171 1.00 0.00 C ATOM 1068 CE1 PHE A 499 7.307 3.079 4.496 1.00 0.00 C ATOM 1069 CE2 PHE A 499 7.628 1.678 2.585 1.00 0.00 C ATOM 1070 CZ PHE A 499 8.112 2.241 3.750 1.00 0.00 C ATOM 0 H PHE A 499 3.903 0.609 1.978 1.00 0.00 H new ATOM 0 HA PHE A 499 3.053 2.341 4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 499 4.070 2.993 1.372 1.00 0.00 H new ATOM 0 HB3 PHE A 499 3.882 4.127 2.695 1.00 0.00 H new ATOM 0 HD1 PHE A 499 5.392 4.007 4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 499 5.965 1.511 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 499 7.684 3.521 5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 499 8.256 1.023 1.999 1.00 0.00 H new ATOM 0 HZ PHE A 499 9.119 2.026 4.077 1.00 0.00 H new ATOM 1080 N VAL A 500 0.849 3.121 3.367 1.00 0.00 N ATOM 1081 CA VAL A 500 -0.500 3.496 2.959 1.00 0.00 C ATOM 1082 C VAL A 500 -0.756 4.979 3.207 1.00 0.00 C ATOM 1083 O VAL A 500 -1.038 5.390 4.331 1.00 0.00 O ATOM 1084 CB VAL A 500 -1.563 2.671 3.708 1.00 0.00 C ATOM 1085 CG1 VAL A 500 -2.962 3.086 3.278 1.00 0.00 C ATOM 1086 CG2 VAL A 500 -1.344 1.184 3.476 1.00 0.00 C ATOM 0 H VAL A 500 1.081 3.363 4.330 1.00 0.00 H new ATOM 0 HA VAL A 500 -0.577 3.290 1.891 1.00 0.00 H new ATOM 0 HB VAL A 500 -1.464 2.867 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 500 -3.700 2.492 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 500 -3.113 4.142 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 500 -3.077 2.921 2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 500 -2.104 0.616 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 500 -1.415 0.968 2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 500 -0.356 0.901 3.839 1.00 0.00 H new ATOM 1096 N GLU A 501 -0.655 5.776 2.147 1.00 0.00 N ATOM 1097 CA GLU A 501 -0.876 7.214 2.251 1.00 0.00 C ATOM 1098 C GLU A 501 -2.347 7.555 2.034 1.00 0.00 C ATOM 1099 O GLU A 501 -2.946 7.163 1.032 1.00 0.00 O ATOM 1100 CB GLU A 501 -0.012 7.959 1.231 1.00 0.00 C ATOM 1101 CG GLU A 501 -0.356 9.434 1.104 1.00 0.00 C ATOM 1102 CD GLU A 501 0.246 10.270 2.217 1.00 0.00 C ATOM 1103 OE1 GLU A 501 0.075 9.901 3.397 1.00 0.00 O ATOM 1104 OE2 GLU A 501 0.889 11.295 1.906 1.00 0.00 O ATOM 0 H GLU A 501 -0.422 5.451 1.209 1.00 0.00 H new ATOM 0 HA GLU A 501 -0.593 7.528 3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 501 1.036 7.862 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 501 -0.123 7.483 0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 501 -0.000 9.805 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 501 -1.439 9.553 1.111 1.00 0.00 H new ATOM 1111 N PHE A 502 -2.924 8.288 2.981 1.00 0.00 N ATOM 1112 CA PHE A 502 -4.325 8.682 2.896 1.00 0.00 C ATOM 1113 C PHE A 502 -4.454 10.155 2.519 1.00 0.00 C ATOM 1114 O PHE A 502 -3.455 10.843 2.308 1.00 0.00 O ATOM 1115 CB PHE A 502 -5.032 8.420 4.227 1.00 0.00 C ATOM 1116 CG PHE A 502 -4.971 6.985 4.666 1.00 0.00 C ATOM 1117 CD1 PHE A 502 -3.809 6.463 5.212 1.00 0.00 C ATOM 1118 CD2 PHE A 502 -6.075 6.159 4.534 1.00 0.00 C ATOM 1119 CE1 PHE A 502 -3.750 5.143 5.616 1.00 0.00 C ATOM 1120 CE2 PHE A 502 -6.022 4.838 4.937 1.00 0.00 C ATOM 1121 CZ PHE A 502 -4.858 4.329 5.480 1.00 0.00 C ATOM 0 H PHE A 502 -2.442 8.621 3.816 1.00 0.00 H new ATOM 0 HA PHE A 502 -4.798 8.084 2.118 1.00 0.00 H new ATOM 0 HB2 PHE A 502 -4.583 9.047 4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 502 -6.076 8.721 4.140 1.00 0.00 H new ATOM 0 HD1 PHE A 502 -2.940 7.095 5.323 1.00 0.00 H new ATOM 0 HD2 PHE A 502 -6.988 6.552 4.111 1.00 0.00 H new ATOM 0 HE1 PHE A 502 -2.838 4.748 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 502 -6.890 4.204 4.828 1.00 0.00 H new ATOM 0 HZ PHE A 502 -4.814 3.298 5.797 1.00 0.00 H new ATOM 1131 N SER A 503 -5.692 10.632 2.437 1.00 0.00 N ATOM 1132 CA SER A 503 -5.953 12.022 2.082 1.00 0.00 C ATOM 1133 C SER A 503 -5.680 12.946 3.265 1.00 0.00 C ATOM 1134 O SER A 503 -5.139 14.040 3.100 1.00 0.00 O ATOM 1135 CB SER A 503 -7.401 12.188 1.616 1.00 0.00 C ATOM 1136 OG SER A 503 -7.612 13.472 1.055 1.00 0.00 O ATOM 0 H SER A 503 -6.530 10.077 2.611 1.00 0.00 H new ATOM 0 HA SER A 503 -5.282 12.295 1.267 1.00 0.00 H new ATOM 0 HB2 SER A 503 -7.639 11.422 0.878 1.00 0.00 H new ATOM 0 HB3 SER A 503 -8.077 12.040 2.458 1.00 0.00 H new ATOM 0 HG SER A 503 -8.544 13.553 0.764 1.00 0.00 H new ATOM 1142 N ILE A 504 -6.057 12.497 4.458 1.00 0.00 N ATOM 1143 CA ILE A 504 -5.852 13.282 5.669 1.00 0.00 C ATOM 1144 C ILE A 504 -5.142 12.463 6.741 1.00 0.00 C ATOM 1145 O ILE A 504 -5.314 11.247 6.823 1.00 0.00 O ATOM 1146 CB ILE A 504 -7.186 13.803 6.235 1.00 0.00 C ATOM 1147 CG1 ILE A 504 -8.224 12.680 6.267 1.00 0.00 C ATOM 1148 CG2 ILE A 504 -7.691 14.975 5.407 1.00 0.00 C ATOM 1149 CD1 ILE A 504 -9.529 13.082 6.918 1.00 0.00 C ATOM 0 H ILE A 504 -6.506 11.594 4.611 1.00 0.00 H new ATOM 0 HA ILE A 504 -5.228 14.132 5.392 1.00 0.00 H new ATOM 0 HB ILE A 504 -7.021 14.149 7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 504 -8.422 12.350 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 504 -7.808 11.827 6.802 1.00 0.00 H new ATOM 0 HG21 ILE A 504 -8.635 15.332 5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 504 -6.957 15.780 5.431 1.00 0.00 H new ATOM 0 HG23 ILE A 504 -7.844 14.654 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 504 -10.217 12.237 6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 504 -9.344 13.384 7.949 1.00 0.00 H new ATOM 0 HD13 ILE A 504 -9.968 13.915 6.369 1.00 0.00 H new ATOM 1161 N ALA A 505 -4.345 13.137 7.563 1.00 0.00 N ATOM 1162 CA ALA A 505 -3.613 12.473 8.634 1.00 0.00 C ATOM 1163 C ALA A 505 -4.562 11.747 9.581 1.00 0.00 C ATOM 1164 O ALA A 505 -4.241 10.678 10.099 1.00 0.00 O ATOM 1165 CB ALA A 505 -2.768 13.480 9.400 1.00 0.00 C ATOM 0 H ALA A 505 -4.190 14.144 7.508 1.00 0.00 H new ATOM 0 HA ALA A 505 -2.954 11.731 8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 505 -2.227 12.970 10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 505 -2.056 13.949 8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 505 -3.415 14.244 9.832 1.00 0.00 H new ATOM 1171 N SER A 506 -5.734 12.335 9.802 1.00 0.00 N ATOM 1172 CA SER A 506 -6.729 11.747 10.691 1.00 0.00 C ATOM 1173 C SER A 506 -6.993 10.290 10.322 1.00 0.00 C ATOM 1174 O SER A 506 -6.729 9.382 11.109 1.00 0.00 O ATOM 1175 CB SER A 506 -8.033 12.544 10.631 1.00 0.00 C ATOM 1176 OG SER A 506 -9.068 11.883 11.337 1.00 0.00 O ATOM 0 H SER A 506 -6.017 13.218 9.377 1.00 0.00 H new ATOM 0 HA SER A 506 -6.337 11.782 11.708 1.00 0.00 H new ATOM 0 HB2 SER A 506 -7.876 13.536 11.054 1.00 0.00 H new ATOM 0 HB3 SER A 506 -8.330 12.684 9.592 1.00 0.00 H new ATOM 0 HG SER A 506 -9.890 12.414 11.285 1.00 0.00 H new ATOM 1182 N GLU A 507 -7.516 10.077 9.118 1.00 0.00 N ATOM 1183 CA GLU A 507 -7.816 8.731 8.645 1.00 0.00 C ATOM 1184 C GLU A 507 -6.667 7.776 8.953 1.00 0.00 C ATOM 1185 O GLU A 507 -6.882 6.651 9.407 1.00 0.00 O ATOM 1186 CB GLU A 507 -8.092 8.745 7.140 1.00 0.00 C ATOM 1187 CG GLU A 507 -9.374 9.468 6.763 1.00 0.00 C ATOM 1188 CD GLU A 507 -9.472 9.746 5.275 1.00 0.00 C ATOM 1189 OE1 GLU A 507 -8.466 9.533 4.566 1.00 0.00 O ATOM 1190 OE2 GLU A 507 -10.552 10.175 4.821 1.00 0.00 O ATOM 0 H GLU A 507 -7.740 10.818 8.454 1.00 0.00 H new ATOM 0 HA GLU A 507 -8.706 8.381 9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 507 -7.254 9.220 6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 507 -8.145 7.718 6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 507 -10.230 8.868 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 507 -9.430 10.410 7.309 1.00 0.00 H new ATOM 1197 N THR A 508 -5.443 8.231 8.702 1.00 0.00 N ATOM 1198 CA THR A 508 -4.259 7.419 8.951 1.00 0.00 C ATOM 1199 C THR A 508 -4.188 6.983 10.410 1.00 0.00 C ATOM 1200 O THR A 508 -4.156 5.789 10.711 1.00 0.00 O ATOM 1201 CB THR A 508 -2.969 8.180 8.591 1.00 0.00 C ATOM 1202 OG1 THR A 508 -3.042 8.658 7.243 1.00 0.00 O ATOM 1203 CG2 THR A 508 -1.750 7.285 8.752 1.00 0.00 C ATOM 0 H THR A 508 -5.246 9.159 8.326 1.00 0.00 H new ATOM 0 HA THR A 508 -4.341 6.538 8.315 1.00 0.00 H new ATOM 0 HB THR A 508 -2.871 9.026 9.271 1.00 0.00 H new ATOM 0 HG1 THR A 508 -3.545 8.019 6.696 1.00 0.00 H new ATOM 0 HG21 THR A 508 -0.851 7.844 8.492 1.00 0.00 H new ATOM 0 HG22 THR A 508 -1.681 6.947 9.786 1.00 0.00 H new ATOM 0 HG23 THR A 508 -1.843 6.421 8.093 1.00 0.00 H new ATOM 1211 N HIS A 509 -4.163 7.957 11.314 1.00 0.00 N ATOM 1212 CA HIS A 509 -4.097 7.673 12.743 1.00 0.00 C ATOM 1213 C HIS A 509 -5.068 6.558 13.120 1.00 0.00 C ATOM 1214 O HIS A 509 -4.723 5.650 13.878 1.00 0.00 O ATOM 1215 CB HIS A 509 -4.411 8.933 13.550 1.00 0.00 C ATOM 1216 CG HIS A 509 -3.247 9.866 13.680 1.00 0.00 C ATOM 1217 ND1 HIS A 509 -2.819 10.371 14.890 1.00 0.00 N ATOM 1218 CD2 HIS A 509 -2.418 10.384 12.744 1.00 0.00 C ATOM 1219 CE1 HIS A 509 -1.779 11.161 14.692 1.00 0.00 C ATOM 1220 NE2 HIS A 509 -1.515 11.185 13.398 1.00 0.00 N ATOM 0 H HIS A 509 -4.187 8.950 11.082 1.00 0.00 H new ATOM 0 HA HIS A 509 -3.084 7.344 12.977 1.00 0.00 H new ATOM 0 HB2 HIS A 509 -5.238 9.461 13.076 1.00 0.00 H new ATOM 0 HB3 HIS A 509 -4.746 8.643 14.546 1.00 0.00 H new ATOM 0 HD2 HIS A 509 -2.459 10.201 11.680 1.00 0.00 H new ATOM 0 HE1 HIS A 509 -1.237 11.696 15.458 1.00 0.00 H new ATOM 0 HE2 HIS A 509 -0.762 11.713 12.956 1.00 0.00 H new ATOM 1228 N LYS A 510 -6.283 6.632 12.588 1.00 0.00 N ATOM 1229 CA LYS A 510 -7.304 5.630 12.868 1.00 0.00 C ATOM 1230 C LYS A 510 -6.829 4.240 12.457 1.00 0.00 C ATOM 1231 O LYS A 510 -6.712 3.342 13.290 1.00 0.00 O ATOM 1232 CB LYS A 510 -8.602 5.975 12.134 1.00 0.00 C ATOM 1233 CG LYS A 510 -9.726 4.986 12.388 1.00 0.00 C ATOM 1234 CD LYS A 510 -11.087 5.607 12.121 1.00 0.00 C ATOM 1235 CE LYS A 510 -11.595 6.379 13.329 1.00 0.00 C ATOM 1236 NZ LYS A 510 -12.198 5.477 14.349 1.00 0.00 N ATOM 0 H LYS A 510 -6.585 7.377 11.960 1.00 0.00 H new ATOM 0 HA LYS A 510 -7.491 5.628 13.942 1.00 0.00 H new ATOM 0 HB2 LYS A 510 -8.929 6.969 12.439 1.00 0.00 H new ATOM 0 HB3 LYS A 510 -8.403 6.019 11.063 1.00 0.00 H new ATOM 0 HG2 LYS A 510 -9.593 4.111 11.751 1.00 0.00 H new ATOM 0 HG3 LYS A 510 -9.680 4.639 13.420 1.00 0.00 H new ATOM 0 HD2 LYS A 510 -11.021 6.275 11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 510 -11.800 4.825 11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 510 -10.772 6.935 13.777 1.00 0.00 H new ATOM 0 HE3 LYS A 510 -12.336 7.111 13.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 510 -12.532 6.041 15.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 510 -13.000 4.965 13.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 510 -11.484 4.795 14.675 1.00 0.00 H new ATOM 1250 N ALA A 511 -6.557 4.071 11.167 1.00 0.00 N ATOM 1251 CA ALA A 511 -6.091 2.791 10.646 1.00 0.00 C ATOM 1252 C ALA A 511 -4.972 2.221 11.511 1.00 0.00 C ATOM 1253 O ALA A 511 -4.861 1.006 11.678 1.00 0.00 O ATOM 1254 CB ALA A 511 -5.623 2.946 9.207 1.00 0.00 C ATOM 0 H ALA A 511 -6.651 4.804 10.464 1.00 0.00 H new ATOM 0 HA ALA A 511 -6.926 2.091 10.671 1.00 0.00 H new ATOM 0 HB1 ALA A 511 -5.278 1.983 8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 511 -6.450 3.301 8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 511 -4.805 3.666 9.166 1.00 0.00 H new ATOM 1260 N ILE A 512 -4.144 3.105 12.057 1.00 0.00 N ATOM 1261 CA ILE A 512 -3.033 2.689 12.904 1.00 0.00 C ATOM 1262 C ILE A 512 -3.533 2.156 14.243 1.00 0.00 C ATOM 1263 O ILE A 512 -3.256 1.014 14.609 1.00 0.00 O ATOM 1264 CB ILE A 512 -2.054 3.850 13.160 1.00 0.00 C ATOM 1265 CG1 ILE A 512 -1.330 4.229 11.866 1.00 0.00 C ATOM 1266 CG2 ILE A 512 -1.054 3.471 14.242 1.00 0.00 C ATOM 1267 CD1 ILE A 512 -0.510 5.495 11.982 1.00 0.00 C ATOM 0 H ILE A 512 -4.221 4.114 11.928 1.00 0.00 H new ATOM 0 HA ILE A 512 -2.510 1.895 12.371 1.00 0.00 H new ATOM 0 HB ILE A 512 -2.621 4.715 13.504 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -0.677 3.408 11.571 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -2.065 4.353 11.071 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -0.369 4.302 14.411 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -1.586 3.245 15.166 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -0.489 2.594 13.925 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -0.025 5.703 11.028 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -1.162 6.328 12.247 1.00 0.00 H new ATOM 0 HD13 ILE A 512 0.248 5.368 12.755 1.00 0.00 H new ATOM 1279 N GLN A 513 -4.272 2.991 14.967 1.00 0.00 N ATOM 1280 CA GLN A 513 -4.811 2.603 16.265 1.00 0.00 C ATOM 1281 C GLN A 513 -5.501 1.245 16.184 1.00 0.00 C ATOM 1282 O GLN A 513 -5.577 0.517 17.173 1.00 0.00 O ATOM 1283 CB GLN A 513 -5.796 3.659 16.768 1.00 0.00 C ATOM 1284 CG GLN A 513 -5.147 5.000 17.072 1.00 0.00 C ATOM 1285 CD GLN A 513 -4.414 5.007 18.398 1.00 0.00 C ATOM 1286 OE1 GLN A 513 -4.982 4.669 19.437 1.00 0.00 O ATOM 1287 NE2 GLN A 513 -3.143 5.393 18.370 1.00 0.00 N ATOM 0 H GLN A 513 -4.511 3.939 14.677 1.00 0.00 H new ATOM 0 HA GLN A 513 -3.981 2.527 16.967 1.00 0.00 H new ATOM 0 HB2 GLN A 513 -6.575 3.803 16.019 1.00 0.00 H new ATOM 0 HB3 GLN A 513 -6.284 3.288 17.669 1.00 0.00 H new ATOM 0 HG2 GLN A 513 -4.448 5.250 16.274 1.00 0.00 H new ATOM 0 HG3 GLN A 513 -5.912 5.776 17.080 1.00 0.00 H new ATOM 0 HE21 GLN A 513 -2.712 5.665 17.486 1.00 0.00 H new ATOM 0 HE22 GLN A 513 -2.598 5.417 19.232 1.00 0.00 H new ATOM 1296 N ALA A 514 -6.002 0.911 14.999 1.00 0.00 N ATOM 1297 CA ALA A 514 -6.684 -0.360 14.789 1.00 0.00 C ATOM 1298 C ALA A 514 -5.686 -1.478 14.507 1.00 0.00 C ATOM 1299 O ALA A 514 -5.697 -2.516 15.171 1.00 0.00 O ATOM 1300 CB ALA A 514 -7.682 -0.240 13.647 1.00 0.00 C ATOM 0 H ALA A 514 -5.948 1.503 14.170 1.00 0.00 H new ATOM 0 HA ALA A 514 -7.222 -0.611 15.703 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -8.184 -1.196 13.501 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -8.420 0.525 13.888 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -7.157 0.038 12.733 1.00 0.00 H new ATOM 1306 N LEU A 515 -4.825 -1.261 13.519 1.00 0.00 N ATOM 1307 CA LEU A 515 -3.821 -2.252 13.148 1.00 0.00 C ATOM 1308 C LEU A 515 -2.522 -2.023 13.915 1.00 0.00 C ATOM 1309 O LEU A 515 -1.448 -2.425 13.470 1.00 0.00 O ATOM 1310 CB LEU A 515 -3.554 -2.198 11.643 1.00 0.00 C ATOM 1311 CG LEU A 515 -4.787 -2.246 10.740 1.00 0.00 C ATOM 1312 CD1 LEU A 515 -4.436 -1.791 9.332 1.00 0.00 C ATOM 1313 CD2 LEU A 515 -5.377 -3.649 10.718 1.00 0.00 C ATOM 0 H LEU A 515 -4.802 -0.408 12.960 1.00 0.00 H new ATOM 0 HA LEU A 515 -4.206 -3.238 13.407 1.00 0.00 H new ATOM 0 HB2 LEU A 515 -3.004 -1.283 11.425 1.00 0.00 H new ATOM 0 HB3 LEU A 515 -2.903 -3.032 11.380 1.00 0.00 H new ATOM 0 HG LEU A 515 -5.536 -1.564 11.143 1.00 0.00 H new ATOM 0 HD11 LEU A 515 -5.326 -1.832 8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 515 -4.061 -0.768 9.363 1.00 0.00 H new ATOM 0 HD13 LEU A 515 -3.670 -2.446 8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 515 -6.254 -3.665 10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 515 -4.634 -4.350 10.339 1.00 0.00 H new ATOM 0 HD23 LEU A 515 -5.667 -3.938 11.728 1.00 0.00 H new ATOM 1325 N ASN A 516 -2.629 -1.377 15.071 1.00 0.00 N ATOM 1326 CA ASN A 516 -1.463 -1.096 15.901 1.00 0.00 C ATOM 1327 C ASN A 516 -1.138 -2.284 16.802 1.00 0.00 C ATOM 1328 O ASN A 516 -0.187 -2.244 17.580 1.00 0.00 O ATOM 1329 CB ASN A 516 -1.706 0.152 16.752 1.00 0.00 C ATOM 1330 CG ASN A 516 -0.811 0.200 17.976 1.00 0.00 C ATOM 1331 OD1 ASN A 516 -1.289 0.160 19.110 1.00 0.00 O ATOM 1332 ND2 ASN A 516 0.495 0.286 17.751 1.00 0.00 N ATOM 0 H ASN A 516 -3.511 -1.038 15.455 1.00 0.00 H new ATOM 0 HA ASN A 516 -0.613 -0.919 15.242 1.00 0.00 H new ATOM 0 HB2 ASN A 516 -1.535 1.041 16.145 1.00 0.00 H new ATOM 0 HB3 ASN A 516 -2.749 0.176 17.067 1.00 0.00 H new ATOM 0 HD21 ASN A 516 1.146 0.322 18.535 1.00 0.00 H new ATOM 0 HD22 ASN A 516 0.847 0.316 16.794 1.00 0.00 H new ATOM 1339 N GLY A 517 -1.936 -3.342 16.688 1.00 0.00 N ATOM 1340 CA GLY A 517 -1.717 -4.527 17.497 1.00 0.00 C ATOM 1341 C GLY A 517 -2.714 -5.628 17.195 1.00 0.00 C ATOM 1342 O GLY A 517 -3.179 -6.319 18.101 1.00 0.00 O ATOM 0 H GLY A 517 -2.730 -3.399 16.050 1.00 0.00 H new ATOM 0 HA2 GLY A 517 -0.707 -4.899 17.325 1.00 0.00 H new ATOM 0 HA3 GLY A 517 -1.783 -4.260 18.552 1.00 0.00 H new ATOM 1346 N ARG A 518 -3.044 -5.791 15.918 1.00 0.00 N ATOM 1347 CA ARG A 518 -3.994 -6.814 15.499 1.00 0.00 C ATOM 1348 C ARG A 518 -3.335 -8.190 15.472 1.00 0.00 C ATOM 1349 O ARG A 518 -2.111 -8.304 15.538 1.00 0.00 O ATOM 1350 CB ARG A 518 -4.559 -6.480 14.117 1.00 0.00 C ATOM 1351 CG ARG A 518 -5.819 -5.630 14.163 1.00 0.00 C ATOM 1352 CD ARG A 518 -6.938 -6.334 14.914 1.00 0.00 C ATOM 1353 NE ARG A 518 -6.918 -6.026 16.342 1.00 0.00 N ATOM 1354 CZ ARG A 518 -7.648 -6.672 17.244 1.00 0.00 C ATOM 1355 NH1 ARG A 518 -8.453 -7.657 16.868 1.00 0.00 N ATOM 1356 NH2 ARG A 518 -7.575 -6.334 18.525 1.00 0.00 N ATOM 0 H ARG A 518 -2.667 -5.228 15.156 1.00 0.00 H new ATOM 0 HA ARG A 518 -4.809 -6.835 16.222 1.00 0.00 H new ATOM 0 HB2 ARG A 518 -3.798 -5.955 13.540 1.00 0.00 H new ATOM 0 HB3 ARG A 518 -4.776 -7.408 13.589 1.00 0.00 H new ATOM 0 HG2 ARG A 518 -5.599 -4.677 14.645 1.00 0.00 H new ATOM 0 HG3 ARG A 518 -6.145 -5.406 13.147 1.00 0.00 H new ATOM 0 HD2 ARG A 518 -7.899 -6.038 14.493 1.00 0.00 H new ATOM 0 HD3 ARG A 518 -6.847 -7.411 14.774 1.00 0.00 H new ATOM 0 HE ARG A 518 -6.310 -5.273 16.664 1.00 0.00 H new ATOM 0 HH11 ARG A 518 -8.512 -7.920 15.884 1.00 0.00 H new ATOM 0 HH12 ARG A 518 -9.013 -8.152 17.563 1.00 0.00 H new ATOM 0 HH21 ARG A 518 -6.958 -5.577 18.818 1.00 0.00 H new ATOM 0 HH22 ARG A 518 -8.136 -6.831 19.216 1.00 0.00 H new ATOM 1370 N TRP A 519 -4.155 -9.231 15.375 1.00 0.00 N ATOM 1371 CA TRP A 519 -3.651 -10.599 15.340 1.00 0.00 C ATOM 1372 C TRP A 519 -3.843 -11.214 13.958 1.00 0.00 C ATOM 1373 O TRP A 519 -4.950 -11.609 13.592 1.00 0.00 O ATOM 1374 CB TRP A 519 -4.359 -11.452 16.394 1.00 0.00 C ATOM 1375 CG TRP A 519 -3.635 -11.497 17.705 1.00 0.00 C ATOM 1376 CD1 TRP A 519 -3.983 -10.850 18.857 1.00 0.00 C ATOM 1377 CD2 TRP A 519 -2.438 -12.227 17.999 1.00 0.00 C ATOM 1378 NE1 TRP A 519 -3.075 -11.133 19.848 1.00 0.00 N ATOM 1379 CE2 TRP A 519 -2.118 -11.977 19.348 1.00 0.00 C ATOM 1380 CE3 TRP A 519 -1.608 -13.069 17.255 1.00 0.00 C ATOM 1381 CZ2 TRP A 519 -1.003 -12.538 19.964 1.00 0.00 C ATOM 1382 CZ3 TRP A 519 -0.501 -13.625 17.868 1.00 0.00 C ATOM 1383 CH2 TRP A 519 -0.207 -13.358 19.212 1.00 0.00 C ATOM 0 H TRP A 519 -5.171 -9.154 15.319 1.00 0.00 H new ATOM 0 HA TRP A 519 -2.584 -10.573 15.561 1.00 0.00 H new ATOM 0 HB2 TRP A 519 -5.363 -11.059 16.555 1.00 0.00 H new ATOM 0 HB3 TRP A 519 -4.471 -12.467 16.014 1.00 0.00 H new ATOM 0 HD1 TRP A 519 -4.845 -10.210 18.972 1.00 0.00 H new ATOM 0 HE1 TRP A 519 -3.108 -10.773 20.802 1.00 0.00 H new ATOM 0 HE3 TRP A 519 -1.827 -13.282 16.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 519 -0.774 -12.333 20.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 519 0.148 -14.276 17.302 1.00 0.00 H new ATOM 0 HH2 TRP A 519 0.665 -13.808 19.663 1.00 0.00 H new ATOM 1394 N PHE A 520 -2.758 -11.293 13.195 1.00 0.00 N ATOM 1395 CA PHE A 520 -2.807 -11.860 11.852 1.00 0.00 C ATOM 1396 C PHE A 520 -2.813 -13.385 11.905 1.00 0.00 C ATOM 1397 O PHE A 520 -2.385 -13.984 12.892 1.00 0.00 O ATOM 1398 CB PHE A 520 -1.617 -11.372 11.025 1.00 0.00 C ATOM 1399 CG PHE A 520 -1.769 -11.619 9.551 1.00 0.00 C ATOM 1400 CD1 PHE A 520 -1.372 -12.824 8.993 1.00 0.00 C ATOM 1401 CD2 PHE A 520 -2.307 -10.647 8.724 1.00 0.00 C ATOM 1402 CE1 PHE A 520 -1.511 -13.055 7.637 1.00 0.00 C ATOM 1403 CE2 PHE A 520 -2.449 -10.872 7.368 1.00 0.00 C ATOM 1404 CZ PHE A 520 -2.049 -12.078 6.823 1.00 0.00 C ATOM 0 H PHE A 520 -1.834 -10.972 13.484 1.00 0.00 H new ATOM 0 HA PHE A 520 -3.730 -11.527 11.378 1.00 0.00 H new ATOM 0 HB2 PHE A 520 -1.481 -10.304 11.194 1.00 0.00 H new ATOM 0 HB3 PHE A 520 -0.712 -11.868 11.377 1.00 0.00 H new ATOM 0 HD1 PHE A 520 -0.949 -13.591 9.625 1.00 0.00 H new ATOM 0 HD2 PHE A 520 -2.619 -9.702 9.144 1.00 0.00 H new ATOM 0 HE1 PHE A 520 -1.199 -13.999 7.215 1.00 0.00 H new ATOM 0 HE2 PHE A 520 -2.872 -10.106 6.734 1.00 0.00 H new ATOM 0 HZ PHE A 520 -2.157 -12.255 5.763 1.00 0.00 H new ATOM 1414 N ALA A 521 -3.300 -14.007 10.837 1.00 0.00 N ATOM 1415 CA ALA A 521 -3.360 -15.462 10.760 1.00 0.00 C ATOM 1416 C ALA A 521 -2.024 -16.087 11.148 1.00 0.00 C ATOM 1417 O ALA A 521 -1.118 -16.198 10.324 1.00 0.00 O ATOM 1418 CB ALA A 521 -3.764 -15.901 9.361 1.00 0.00 C ATOM 0 H ALA A 521 -3.659 -13.526 10.012 1.00 0.00 H new ATOM 0 HA ALA A 521 -4.113 -15.808 11.468 1.00 0.00 H new ATOM 0 HB1 ALA A 521 -3.805 -16.989 9.319 1.00 0.00 H new ATOM 0 HB2 ALA A 521 -4.745 -15.492 9.120 1.00 0.00 H new ATOM 0 HB3 ALA A 521 -3.032 -15.537 8.640 1.00 0.00 H new ATOM 1424 N GLY A 522 -1.910 -16.494 12.409 1.00 0.00 N ATOM 1425 CA GLY A 522 -0.681 -17.102 12.883 1.00 0.00 C ATOM 1426 C GLY A 522 0.483 -16.130 12.890 1.00 0.00 C ATOM 1427 O GLY A 522 1.635 -16.530 12.722 1.00 0.00 O ATOM 0 H GLY A 522 -2.647 -16.413 13.110 1.00 0.00 H new ATOM 0 HA2 GLY A 522 -0.835 -17.487 13.891 1.00 0.00 H new ATOM 0 HA3 GLY A 522 -0.434 -17.955 12.251 1.00 0.00 H new ATOM 1431 N ARG A 523 0.181 -14.850 13.082 1.00 0.00 N ATOM 1432 CA ARG A 523 1.211 -13.818 13.106 1.00 0.00 C ATOM 1433 C ARG A 523 0.689 -12.545 13.766 1.00 0.00 C ATOM 1434 O ARG A 523 -0.518 -12.374 13.942 1.00 0.00 O ATOM 1435 CB ARG A 523 1.688 -13.510 11.686 1.00 0.00 C ATOM 1436 CG ARG A 523 2.516 -14.624 11.066 1.00 0.00 C ATOM 1437 CD ARG A 523 3.361 -14.113 9.910 1.00 0.00 C ATOM 1438 NE ARG A 523 4.423 -13.218 10.362 1.00 0.00 N ATOM 1439 CZ ARG A 523 5.517 -12.960 9.654 1.00 0.00 C ATOM 1440 NH1 ARG A 523 5.692 -13.524 8.468 1.00 0.00 N ATOM 1441 NH2 ARG A 523 6.439 -12.134 10.133 1.00 0.00 N ATOM 0 H ARG A 523 -0.768 -14.503 13.223 1.00 0.00 H new ATOM 0 HA ARG A 523 2.051 -14.192 13.691 1.00 0.00 H new ATOM 0 HB2 ARG A 523 0.821 -13.319 11.054 1.00 0.00 H new ATOM 0 HB3 ARG A 523 2.279 -12.595 11.701 1.00 0.00 H new ATOM 0 HG2 ARG A 523 3.163 -15.063 11.825 1.00 0.00 H new ATOM 0 HG3 ARG A 523 1.856 -15.416 10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 523 3.800 -14.959 9.381 1.00 0.00 H new ATOM 0 HD3 ARG A 523 2.723 -13.588 9.199 1.00 0.00 H new ATOM 0 HE ARG A 523 4.319 -12.767 11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 523 4.985 -14.159 8.096 1.00 0.00 H new ATOM 0 HH12 ARG A 523 6.533 -13.324 7.927 1.00 0.00 H new ATOM 0 HH21 ARG A 523 6.308 -11.697 11.045 1.00 0.00 H new ATOM 0 HH22 ARG A 523 7.279 -11.936 9.589 1.00 0.00 H new ATOM 1455 N LYS A 524 1.606 -11.655 14.131 1.00 0.00 N ATOM 1456 CA LYS A 524 1.240 -10.398 14.771 1.00 0.00 C ATOM 1457 C LYS A 524 1.316 -9.240 13.780 1.00 0.00 C ATOM 1458 O LYS A 524 2.192 -9.206 12.916 1.00 0.00 O ATOM 1459 CB LYS A 524 2.158 -10.123 15.964 1.00 0.00 C ATOM 1460 CG LYS A 524 1.535 -9.223 17.017 1.00 0.00 C ATOM 1461 CD LYS A 524 0.625 -10.004 17.950 1.00 0.00 C ATOM 1462 CE LYS A 524 0.008 -9.105 19.010 1.00 0.00 C ATOM 1463 NZ LYS A 524 0.935 -8.879 20.153 1.00 0.00 N ATOM 0 H LYS A 524 2.609 -11.782 13.994 1.00 0.00 H new ATOM 0 HA LYS A 524 0.212 -10.485 15.123 1.00 0.00 H new ATOM 0 HB2 LYS A 524 2.434 -11.071 16.426 1.00 0.00 H new ATOM 0 HB3 LYS A 524 3.079 -9.664 15.605 1.00 0.00 H new ATOM 0 HG2 LYS A 524 2.322 -8.739 17.595 1.00 0.00 H new ATOM 0 HG3 LYS A 524 0.965 -8.432 16.530 1.00 0.00 H new ATOM 0 HD2 LYS A 524 -0.166 -10.482 17.372 1.00 0.00 H new ATOM 0 HD3 LYS A 524 1.193 -10.799 18.432 1.00 0.00 H new ATOM 0 HE2 LYS A 524 -0.258 -8.147 18.564 1.00 0.00 H new ATOM 0 HE3 LYS A 524 -0.916 -9.555 19.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 524 0.478 -8.262 20.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 524 1.170 -9.791 20.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 524 1.806 -8.427 19.809 1.00 0.00 H new ATOM 1477 N VAL A 525 0.393 -8.293 13.912 1.00 0.00 N ATOM 1478 CA VAL A 525 0.357 -7.133 13.030 1.00 0.00 C ATOM 1479 C VAL A 525 0.939 -5.902 13.716 1.00 0.00 C ATOM 1480 O VAL A 525 0.767 -5.709 14.920 1.00 0.00 O ATOM 1481 CB VAL A 525 -1.079 -6.820 12.571 1.00 0.00 C ATOM 1482 CG1 VAL A 525 -1.076 -5.732 11.509 1.00 0.00 C ATOM 1483 CG2 VAL A 525 -1.759 -8.079 12.055 1.00 0.00 C ATOM 0 H VAL A 525 -0.340 -8.306 14.621 1.00 0.00 H new ATOM 0 HA VAL A 525 0.963 -7.380 12.158 1.00 0.00 H new ATOM 0 HB VAL A 525 -1.644 -6.454 13.428 1.00 0.00 H new ATOM 0 HG11 VAL A 525 -2.100 -5.525 11.197 1.00 0.00 H new ATOM 0 HG12 VAL A 525 -0.631 -4.825 11.918 1.00 0.00 H new ATOM 0 HG13 VAL A 525 -0.495 -6.065 10.649 1.00 0.00 H new ATOM 0 HG21 VAL A 525 -2.773 -7.840 11.735 1.00 0.00 H new ATOM 0 HG22 VAL A 525 -1.196 -8.477 11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 525 -1.796 -8.824 12.850 1.00 0.00 H new ATOM 1493 N VAL A 526 1.630 -5.070 12.943 1.00 0.00 N ATOM 1494 CA VAL A 526 2.237 -3.857 13.476 1.00 0.00 C ATOM 1495 C VAL A 526 1.975 -2.665 12.562 1.00 0.00 C ATOM 1496 O VAL A 526 2.376 -2.662 11.398 1.00 0.00 O ATOM 1497 CB VAL A 526 3.756 -4.023 13.661 1.00 0.00 C ATOM 1498 CG1 VAL A 526 4.365 -2.760 14.251 1.00 0.00 C ATOM 1499 CG2 VAL A 526 4.056 -5.229 14.539 1.00 0.00 C ATOM 0 H VAL A 526 1.783 -5.214 11.945 1.00 0.00 H new ATOM 0 HA VAL A 526 1.779 -3.675 14.448 1.00 0.00 H new ATOM 0 HB VAL A 526 4.207 -4.191 12.683 1.00 0.00 H new ATOM 0 HG11 VAL A 526 5.439 -2.897 14.374 1.00 0.00 H new ATOM 0 HG12 VAL A 526 4.181 -1.920 13.581 1.00 0.00 H new ATOM 0 HG13 VAL A 526 3.912 -2.556 15.221 1.00 0.00 H new ATOM 0 HG21 VAL A 526 5.134 -5.332 14.660 1.00 0.00 H new ATOM 0 HG22 VAL A 526 3.593 -5.092 15.516 1.00 0.00 H new ATOM 0 HG23 VAL A 526 3.656 -6.128 14.071 1.00 0.00 H new ATOM 1509 N ALA A 527 1.301 -1.652 13.097 1.00 0.00 N ATOM 1510 CA ALA A 527 0.988 -0.453 12.331 1.00 0.00 C ATOM 1511 C ALA A 527 1.497 0.799 13.038 1.00 0.00 C ATOM 1512 O ALA A 527 1.375 0.927 14.255 1.00 0.00 O ATOM 1513 CB ALA A 527 -0.512 -0.354 12.094 1.00 0.00 C ATOM 0 H ALA A 527 0.961 -1.638 14.059 1.00 0.00 H new ATOM 0 HA ALA A 527 1.493 -0.526 11.368 1.00 0.00 H new ATOM 0 HB1 ALA A 527 -0.731 0.547 11.521 1.00 0.00 H new ATOM 0 HB2 ALA A 527 -0.851 -1.229 11.539 1.00 0.00 H new ATOM 0 HB3 ALA A 527 -1.030 -0.309 13.052 1.00 0.00 H new ATOM 1519 N GLU A 528 2.068 1.718 12.265 1.00 0.00 N ATOM 1520 CA GLU A 528 2.597 2.959 12.820 1.00 0.00 C ATOM 1521 C GLU A 528 2.704 4.034 11.742 1.00 0.00 C ATOM 1522 O GLU A 528 2.727 3.733 10.549 1.00 0.00 O ATOM 1523 CB GLU A 528 3.968 2.717 13.453 1.00 0.00 C ATOM 1524 CG GLU A 528 5.059 2.406 12.442 1.00 0.00 C ATOM 1525 CD GLU A 528 5.127 0.933 12.091 1.00 0.00 C ATOM 1526 OE1 GLU A 528 4.899 0.098 12.991 1.00 0.00 O ATOM 1527 OE2 GLU A 528 5.409 0.614 10.917 1.00 0.00 O ATOM 0 H GLU A 528 2.176 1.627 11.255 1.00 0.00 H new ATOM 0 HA GLU A 528 1.907 3.307 13.589 1.00 0.00 H new ATOM 0 HB2 GLU A 528 4.255 3.599 14.025 1.00 0.00 H new ATOM 0 HB3 GLU A 528 3.892 1.890 14.159 1.00 0.00 H new ATOM 0 HG2 GLU A 528 4.884 2.984 11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 528 6.021 2.725 12.842 1.00 0.00 H new ATOM 1534 N VAL A 529 2.771 5.290 12.172 1.00 0.00 N ATOM 1535 CA VAL A 529 2.877 6.411 11.245 1.00 0.00 C ATOM 1536 C VAL A 529 4.331 6.689 10.884 1.00 0.00 C ATOM 1537 O VAL A 529 5.152 6.987 11.752 1.00 0.00 O ATOM 1538 CB VAL A 529 2.252 7.689 11.837 1.00 0.00 C ATOM 1539 CG1 VAL A 529 3.064 8.179 13.026 1.00 0.00 C ATOM 1540 CG2 VAL A 529 2.145 8.770 10.772 1.00 0.00 C ATOM 0 H VAL A 529 2.754 5.557 13.156 1.00 0.00 H new ATOM 0 HA VAL A 529 2.330 6.131 10.345 1.00 0.00 H new ATOM 0 HB VAL A 529 1.247 7.454 12.187 1.00 0.00 H new ATOM 0 HG11 VAL A 529 2.608 9.082 13.431 1.00 0.00 H new ATOM 0 HG12 VAL A 529 3.085 7.407 13.795 1.00 0.00 H new ATOM 0 HG13 VAL A 529 4.082 8.399 12.705 1.00 0.00 H new ATOM 0 HG21 VAL A 529 1.702 9.666 11.206 1.00 0.00 H new ATOM 0 HG22 VAL A 529 3.139 9.005 10.391 1.00 0.00 H new ATOM 0 HG23 VAL A 529 1.518 8.415 9.954 1.00 0.00 H new ATOM 1550 N TYR A 530 4.644 6.591 9.596 1.00 0.00 N ATOM 1551 CA TYR A 530 6.001 6.830 9.119 1.00 0.00 C ATOM 1552 C TYR A 530 6.363 8.308 9.227 1.00 0.00 C ATOM 1553 O TYR A 530 5.527 9.140 9.578 1.00 0.00 O ATOM 1554 CB TYR A 530 6.144 6.363 7.670 1.00 0.00 C ATOM 1555 CG TYR A 530 7.525 5.847 7.333 1.00 0.00 C ATOM 1556 CD1 TYR A 530 8.148 4.900 8.136 1.00 0.00 C ATOM 1557 CD2 TYR A 530 8.205 6.306 6.212 1.00 0.00 C ATOM 1558 CE1 TYR A 530 9.410 4.426 7.832 1.00 0.00 C ATOM 1559 CE2 TYR A 530 9.467 5.837 5.900 1.00 0.00 C ATOM 1560 CZ TYR A 530 10.065 4.897 6.714 1.00 0.00 C ATOM 1561 OH TYR A 530 11.321 4.427 6.408 1.00 0.00 O ATOM 0 H TYR A 530 3.976 6.348 8.864 1.00 0.00 H new ATOM 0 HA TYR A 530 6.686 6.260 9.747 1.00 0.00 H new ATOM 0 HB2 TYR A 530 5.414 5.576 7.477 1.00 0.00 H new ATOM 0 HB3 TYR A 530 5.903 7.192 7.005 1.00 0.00 H new ATOM 0 HD1 TYR A 530 7.638 4.528 9.012 1.00 0.00 H new ATOM 0 HD2 TYR A 530 7.739 7.042 5.573 1.00 0.00 H new ATOM 0 HE1 TYR A 530 9.881 3.690 8.467 1.00 0.00 H new ATOM 0 HE2 TYR A 530 9.982 6.204 5.024 1.00 0.00 H new ATOM 0 HH TYR A 530 11.641 4.859 5.589 1.00 0.00 H new