USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 416 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 62 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 26 CYS SG : rot 49:sc= -0.647! USER MOD Set 2.2: A 29 CYS SG : rot -47:sc= -0.662 USER MOD Set 2.3: A 35 CYS SG : rot -135:sc= -1.7 USER MOD Set 2.4: A 50 CYS SG : rot 131:sc= 1.64 USER MOD Set 2.5: A 53 CYS SG : rot -60:sc= 0.383 USER MOD Single : A 23 GLN : amide:sc= -3.58! C(o=-3.6!,f=-14!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -3.45! C(o=-3.5!,f=-3.6!) USER MOD Single : A 31 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-0.68) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -140:sc= -0.166 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -174:sc= -0.11 (180deg=-0.194) USER MOD Single : A 44 ASN : amide:sc= -1.79 K(o=-1.8,f=-6.5!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -90:sc= 0.854 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.953 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.314 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 127:sc= 0.343 USER MOD ----------------------------------------------------------------- ATOM 320 N GLN A 23 1.334 -5.335 -2.971 1.00 0.00 N ATOM 321 CA GLN A 23 0.299 -4.932 -3.916 1.00 0.00 C ATOM 322 C GLN A 23 -0.897 -4.326 -3.188 1.00 0.00 C ATOM 323 O GLN A 23 -1.281 -4.788 -2.113 1.00 0.00 O ATOM 324 CB GLN A 23 -0.152 -6.130 -4.753 1.00 0.00 C ATOM 325 CG GLN A 23 0.294 -6.060 -6.205 1.00 0.00 C ATOM 326 CD GLN A 23 -0.872 -5.987 -7.171 1.00 0.00 C ATOM 327 OE1 GLN A 23 -1.643 -5.028 -7.159 1.00 0.00 O ATOM 328 NE2 GLN A 23 -1.007 -7.004 -8.014 1.00 0.00 N ATOM 0 HA GLN A 23 0.721 -4.175 -4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.239 -7.044 -4.305 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.239 -6.198 -4.718 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.931 -5.186 -6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.899 -6.936 -6.438 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.344 -7.779 -7.989 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.774 -7.010 -8.687 1.00 0.00 H new ATOM 337 N PHE A 24 -1.481 -3.290 -3.780 1.00 0.00 N ATOM 338 CA PHE A 24 -2.632 -2.620 -3.187 1.00 0.00 C ATOM 339 C PHE A 24 -3.618 -2.176 -4.265 1.00 0.00 C ATOM 340 O PHE A 24 -3.253 -2.023 -5.431 1.00 0.00 O ATOM 341 CB PHE A 24 -2.179 -1.412 -2.366 1.00 0.00 C ATOM 342 CG PHE A 24 -1.175 -1.753 -1.302 1.00 0.00 C ATOM 343 CD1 PHE A 24 0.166 -1.899 -1.618 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.573 -1.926 0.014 1.00 0.00 C ATOM 345 CE1 PHE A 24 1.091 -2.214 -0.640 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.652 -2.240 0.996 1.00 0.00 C ATOM 347 CZ PHE A 24 0.682 -2.383 0.668 1.00 0.00 C ATOM 0 H PHE A 24 -1.176 -2.896 -4.670 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.134 -3.329 -2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.748 -0.668 -3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.050 -0.953 -1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.492 -1.765 -2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.615 -1.814 0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.133 -2.328 -0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.975 -2.373 2.018 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.404 -2.627 1.433 1.00 0.00 H new ATOM 357 N THR A 25 -4.869 -1.972 -3.866 1.00 0.00 N ATOM 358 CA THR A 25 -5.908 -1.548 -4.796 1.00 0.00 C ATOM 359 C THR A 25 -5.645 -0.136 -5.308 1.00 0.00 C ATOM 360 O THR A 25 -4.921 0.638 -4.681 1.00 0.00 O ATOM 361 CB THR A 25 -7.301 -1.592 -4.140 1.00 0.00 C ATOM 362 OG1 THR A 25 -7.462 -2.815 -3.414 1.00 0.00 O ATOM 363 CG2 THR A 25 -8.397 -1.471 -5.188 1.00 0.00 C ATOM 0 H THR A 25 -5.187 -2.094 -2.905 1.00 0.00 H new ATOM 0 HA THR A 25 -5.886 -2.245 -5.633 1.00 0.00 H new ATOM 0 HB THR A 25 -7.382 -0.749 -3.454 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.349 -2.834 -2.999 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.372 -1.505 -4.701 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.289 -0.525 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.316 -2.296 -5.896 1.00 0.00 H new ATOM 371 N CYS A 26 -6.237 0.194 -6.451 1.00 0.00 N ATOM 372 CA CYS A 26 -6.067 1.513 -7.048 1.00 0.00 C ATOM 373 C CYS A 26 -7.379 2.292 -7.029 1.00 0.00 C ATOM 374 O CYS A 26 -8.384 1.877 -7.607 1.00 0.00 O ATOM 375 CB CYS A 26 -5.558 1.383 -8.485 1.00 0.00 C ATOM 376 SG CYS A 26 -5.151 2.973 -9.276 1.00 0.00 S ATOM 0 H CYS A 26 -6.839 -0.435 -6.983 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.332 2.060 -6.458 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.671 0.750 -8.489 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.315 0.875 -9.083 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.402 3.675 -8.479 1.00 0.00 H new ATOM 381 N PRO A 27 -7.371 3.448 -6.349 1.00 0.00 N ATOM 382 CA PRO A 27 -8.552 4.310 -6.239 1.00 0.00 C ATOM 383 C PRO A 27 -8.907 4.977 -7.563 1.00 0.00 C ATOM 384 O PRO A 27 -10.016 5.484 -7.736 1.00 0.00 O ATOM 385 CB PRO A 27 -8.130 5.359 -5.208 1.00 0.00 C ATOM 386 CG PRO A 27 -6.644 5.402 -5.297 1.00 0.00 C ATOM 387 CD PRO A 27 -6.209 4.003 -5.636 1.00 0.00 C ATOM 0 HA PRO A 27 -9.442 3.748 -5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.568 6.332 -5.431 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.459 5.084 -4.206 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.319 6.108 -6.061 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.206 5.729 -4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.316 4.000 -6.260 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.974 3.427 -4.741 1.00 0.00 H new ATOM 395 N PHE A 28 -7.960 4.974 -8.496 1.00 0.00 N ATOM 396 CA PHE A 28 -8.174 5.580 -9.805 1.00 0.00 C ATOM 397 C PHE A 28 -9.045 4.687 -10.682 1.00 0.00 C ATOM 398 O PHE A 28 -10.128 5.085 -11.113 1.00 0.00 O ATOM 399 CB PHE A 28 -6.833 5.841 -10.495 1.00 0.00 C ATOM 400 CG PHE A 28 -6.027 6.930 -9.847 1.00 0.00 C ATOM 401 CD1 PHE A 28 -5.554 6.783 -8.553 1.00 0.00 C ATOM 402 CD2 PHE A 28 -5.743 8.100 -10.531 1.00 0.00 C ATOM 403 CE1 PHE A 28 -4.812 7.784 -7.953 1.00 0.00 C ATOM 404 CE2 PHE A 28 -5.000 9.104 -9.938 1.00 0.00 C ATOM 405 CZ PHE A 28 -4.535 8.946 -8.647 1.00 0.00 C ATOM 0 H PHE A 28 -7.037 4.559 -8.370 1.00 0.00 H new ATOM 0 HA PHE A 28 -8.690 6.529 -9.658 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.249 4.920 -10.497 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -7.015 6.105 -11.537 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.767 5.876 -8.007 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.106 8.230 -11.540 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.450 7.658 -6.943 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.783 10.011 -10.484 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.956 9.729 -8.181 1.00 0.00 H new ATOM 415 N CYS A 29 -8.565 3.476 -10.944 1.00 0.00 N ATOM 416 CA CYS A 29 -9.298 2.524 -11.771 1.00 0.00 C ATOM 417 C CYS A 29 -9.924 1.428 -10.913 1.00 0.00 C ATOM 418 O CYS A 29 -11.025 0.958 -11.195 1.00 0.00 O ATOM 419 CB CYS A 29 -8.368 1.902 -12.815 1.00 0.00 C ATOM 420 SG CYS A 29 -6.940 1.021 -12.107 1.00 0.00 S ATOM 0 H CYS A 29 -7.671 3.130 -10.595 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.097 3.062 -12.281 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.941 1.208 -13.429 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -8.005 2.688 -13.477 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.378 1.764 -11.200 1.00 0.00 H new ATOM 425 N ASN A 30 -9.213 1.026 -9.865 1.00 0.00 N ATOM 426 CA ASN A 30 -9.698 -0.015 -8.966 1.00 0.00 C ATOM 427 C ASN A 30 -9.853 -1.342 -9.704 1.00 0.00 C ATOM 428 O ASN A 30 -10.953 -1.711 -10.115 1.00 0.00 O ATOM 429 CB ASN A 30 -11.036 0.397 -8.349 1.00 0.00 C ATOM 430 CG ASN A 30 -10.897 1.569 -7.397 1.00 0.00 C ATOM 431 OD1 ASN A 30 -10.643 1.389 -6.206 1.00 0.00 O ATOM 432 ND2 ASN A 30 -11.063 2.779 -7.919 1.00 0.00 N ATOM 0 H ASN A 30 -8.299 1.405 -9.617 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.964 -0.145 -8.171 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.734 0.659 -9.144 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.464 -0.452 -7.816 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.981 3.605 -7.327 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.272 2.882 -8.912 1.00 0.00 H new ATOM 439 N HIS A 31 -8.743 -2.055 -9.867 1.00 0.00 N ATOM 440 CA HIS A 31 -8.755 -3.341 -10.554 1.00 0.00 C ATOM 441 C HIS A 31 -8.349 -4.467 -9.607 1.00 0.00 C ATOM 442 O HIS A 31 -7.578 -5.352 -9.976 1.00 0.00 O ATOM 443 CB HIS A 31 -7.815 -3.309 -11.759 1.00 0.00 C ATOM 444 CG HIS A 31 -8.453 -3.779 -13.030 1.00 0.00 C ATOM 445 ND1 HIS A 31 -8.313 -5.062 -13.513 1.00 0.00 N ATOM 446 CD2 HIS A 31 -9.241 -3.128 -13.918 1.00 0.00 C ATOM 447 CE1 HIS A 31 -8.985 -5.181 -14.644 1.00 0.00 C ATOM 448 NE2 HIS A 31 -9.558 -4.021 -14.912 1.00 0.00 N ATOM 0 H HIS A 31 -7.824 -1.764 -9.533 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.771 -3.530 -10.901 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.452 -2.291 -11.899 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.945 -3.931 -11.547 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -9.561 -2.098 -13.856 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.054 -6.074 -15.247 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -10.141 -3.821 -15.725 1.00 0.00 H new ATOM 456 N GLU A 32 -8.873 -4.424 -8.386 1.00 0.00 N ATOM 457 CA GLU A 32 -8.562 -5.439 -7.387 1.00 0.00 C ATOM 458 C GLU A 32 -7.054 -5.592 -7.216 1.00 0.00 C ATOM 459 O GLU A 32 -6.419 -6.402 -7.891 1.00 0.00 O ATOM 460 CB GLU A 32 -9.180 -6.782 -7.783 1.00 0.00 C ATOM 461 CG GLU A 32 -9.886 -7.489 -6.639 1.00 0.00 C ATOM 462 CD GLU A 32 -10.256 -8.921 -6.976 1.00 0.00 C ATOM 463 OE1 GLU A 32 -10.818 -9.145 -8.069 1.00 0.00 O ATOM 464 OE2 GLU A 32 -9.984 -9.815 -6.149 1.00 0.00 O ATOM 0 H GLU A 32 -9.514 -3.698 -8.065 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.987 -5.117 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.891 -6.620 -8.593 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.396 -7.432 -8.172 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.242 -7.482 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.789 -6.937 -6.377 1.00 0.00 H new ATOM 471 N LYS A 33 -6.485 -4.805 -6.308 1.00 0.00 N ATOM 472 CA LYS A 33 -5.051 -4.851 -6.046 1.00 0.00 C ATOM 473 C LYS A 33 -4.261 -4.887 -7.350 1.00 0.00 C ATOM 474 O LYS A 33 -3.980 -5.958 -7.888 1.00 0.00 O ATOM 475 CB LYS A 33 -4.706 -6.074 -5.194 1.00 0.00 C ATOM 476 CG LYS A 33 -5.422 -6.104 -3.855 1.00 0.00 C ATOM 477 CD LYS A 33 -5.151 -7.398 -3.106 1.00 0.00 C ATOM 478 CE LYS A 33 -6.340 -8.344 -3.178 1.00 0.00 C ATOM 479 NZ LYS A 33 -6.925 -8.602 -1.833 1.00 0.00 N ATOM 0 H LYS A 33 -6.995 -4.128 -5.741 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.777 -3.948 -5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.957 -6.977 -5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.630 -6.094 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.098 -5.257 -3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.495 -5.992 -4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.271 -7.885 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.925 -7.175 -2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.103 -7.920 -3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.027 -9.288 -3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.733 -9.251 -1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.204 -9.030 -1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.247 -7.705 -1.417 1.00 0.00 H new ATOM 493 N SER A 34 -3.903 -3.710 -7.853 1.00 0.00 N ATOM 494 CA SER A 34 -3.146 -3.607 -9.095 1.00 0.00 C ATOM 495 C SER A 34 -2.160 -2.445 -9.036 1.00 0.00 C ATOM 496 O SER A 34 -2.028 -1.678 -9.991 1.00 0.00 O ATOM 497 CB SER A 34 -4.095 -3.425 -10.282 1.00 0.00 C ATOM 498 OG SER A 34 -4.834 -4.609 -10.529 1.00 0.00 O ATOM 0 H SER A 34 -4.125 -2.814 -7.419 1.00 0.00 H new ATOM 0 HA SER A 34 -2.584 -4.532 -9.226 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.779 -2.600 -10.082 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.524 -3.157 -11.171 1.00 0.00 H new ATOM 0 HG SER A 34 -4.909 -4.752 -11.496 1.00 0.00 H new ATOM 504 N CYS A 35 -1.469 -2.320 -7.908 1.00 0.00 N ATOM 505 CA CYS A 35 -0.494 -1.251 -7.722 1.00 0.00 C ATOM 506 C CYS A 35 0.769 -1.778 -7.050 1.00 0.00 C ATOM 507 O CYS A 35 0.722 -2.744 -6.288 1.00 0.00 O ATOM 508 CB CYS A 35 -1.098 -0.122 -6.887 1.00 0.00 C ATOM 509 SG CYS A 35 -2.163 1.001 -7.823 1.00 0.00 S ATOM 0 H CYS A 35 -1.566 -2.946 -7.108 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.225 -0.863 -8.704 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.675 -0.557 -6.071 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.290 0.453 -6.435 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.880 2.230 -7.508 1.00 0.00 H new ATOM 515 N ASP A 36 1.897 -1.138 -7.337 1.00 0.00 N ATOM 516 CA ASP A 36 3.174 -1.542 -6.761 1.00 0.00 C ATOM 517 C ASP A 36 3.788 -0.406 -5.949 1.00 0.00 C ATOM 518 O ASP A 36 3.881 0.728 -6.419 1.00 0.00 O ATOM 519 CB ASP A 36 4.141 -1.977 -7.863 1.00 0.00 C ATOM 520 CG ASP A 36 5.061 -0.855 -8.303 1.00 0.00 C ATOM 521 OD1 ASP A 36 5.866 -0.388 -7.470 1.00 0.00 O ATOM 522 OD2 ASP A 36 4.976 -0.446 -9.479 1.00 0.00 O ATOM 0 H ASP A 36 1.953 -0.337 -7.966 1.00 0.00 H new ATOM 0 HA ASP A 36 2.992 -2.385 -6.094 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.740 -2.815 -7.507 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.572 -2.334 -8.721 1.00 0.00 H new ATOM 527 N VAL A 37 4.204 -0.718 -4.725 1.00 0.00 N ATOM 528 CA VAL A 37 4.809 0.277 -3.847 1.00 0.00 C ATOM 529 C VAL A 37 6.326 0.131 -3.815 1.00 0.00 C ATOM 530 O VAL A 37 6.853 -0.911 -3.427 1.00 0.00 O ATOM 531 CB VAL A 37 4.263 0.164 -2.412 1.00 0.00 C ATOM 532 CG1 VAL A 37 4.886 1.226 -1.518 1.00 0.00 C ATOM 533 CG2 VAL A 37 2.746 0.276 -2.409 1.00 0.00 C ATOM 0 H VAL A 37 4.133 -1.651 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 37 4.550 1.256 -4.251 1.00 0.00 H new ATOM 0 HB VAL A 37 4.533 -0.815 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.488 1.130 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.968 1.094 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.649 2.215 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.377 0.194 -1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.451 1.240 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.321 -0.525 -3.013 1.00 0.00 H new ATOM 543 N LYS A 38 7.025 1.185 -4.225 1.00 0.00 N ATOM 544 CA LYS A 38 8.483 1.177 -4.242 1.00 0.00 C ATOM 545 C LYS A 38 9.045 1.930 -3.041 1.00 0.00 C ATOM 546 O LYS A 38 9.029 3.160 -3.005 1.00 0.00 O ATOM 547 CB LYS A 38 9.002 1.803 -5.539 1.00 0.00 C ATOM 548 CG LYS A 38 9.872 0.868 -6.360 1.00 0.00 C ATOM 549 CD LYS A 38 10.086 1.398 -7.768 1.00 0.00 C ATOM 550 CE LYS A 38 8.847 1.209 -8.629 1.00 0.00 C ATOM 551 NZ LYS A 38 8.353 2.501 -9.182 1.00 0.00 N ATOM 0 H LYS A 38 6.605 2.056 -4.550 1.00 0.00 H new ATOM 0 HA LYS A 38 8.817 0.141 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.153 2.121 -6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.574 2.699 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.836 0.741 -5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.406 -0.116 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.342 2.457 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.931 0.884 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.075 0.527 -9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.060 0.743 -8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.508 2.329 -9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.112 3.143 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.095 2.933 -9.769 1.00 0.00 H new ATOM 565 N MET A 39 9.543 1.183 -2.060 1.00 0.00 N ATOM 566 CA MET A 39 10.112 1.782 -0.859 1.00 0.00 C ATOM 567 C MET A 39 11.591 2.099 -1.058 1.00 0.00 C ATOM 568 O MET A 39 12.451 1.238 -0.869 1.00 0.00 O ATOM 569 CB MET A 39 9.937 0.843 0.337 1.00 0.00 C ATOM 570 CG MET A 39 8.514 0.337 0.507 1.00 0.00 C ATOM 571 SD MET A 39 7.366 1.640 0.991 1.00 0.00 S ATOM 572 CE MET A 39 7.711 1.762 2.745 1.00 0.00 C ATOM 0 H MET A 39 9.564 0.163 -2.074 1.00 0.00 H new ATOM 0 HA MET A 39 9.582 2.714 -0.662 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.606 -0.010 0.220 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.240 1.364 1.245 1.00 0.00 H new ATOM 0 HG2 MET A 39 8.177 -0.109 -0.429 1.00 0.00 H new ATOM 0 HG3 MET A 39 8.500 -0.452 1.259 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.005 2.452 3.208 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.612 0.779 3.205 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.726 2.130 2.891 1.00 0.00 H new ATOM 582 N ASP A 40 11.880 3.338 -1.441 1.00 0.00 N ATOM 583 CA ASP A 40 13.255 3.768 -1.665 1.00 0.00 C ATOM 584 C ASP A 40 13.845 4.381 -0.399 1.00 0.00 C ATOM 585 O ASP A 40 13.522 5.512 -0.036 1.00 0.00 O ATOM 586 CB ASP A 40 13.315 4.778 -2.812 1.00 0.00 C ATOM 587 CG ASP A 40 14.705 4.897 -3.406 1.00 0.00 C ATOM 588 OD1 ASP A 40 15.426 3.878 -3.437 1.00 0.00 O ATOM 589 OD2 ASP A 40 15.070 6.008 -3.842 1.00 0.00 O ATOM 0 H ASP A 40 11.180 4.062 -1.603 1.00 0.00 H new ATOM 0 HA ASP A 40 13.846 2.892 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.614 4.480 -3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.993 5.754 -2.450 1.00 0.00 H new ATOM 594 N ARG A 41 14.712 3.627 0.269 1.00 0.00 N ATOM 595 CA ARG A 41 15.346 4.095 1.495 1.00 0.00 C ATOM 596 C ARG A 41 16.405 5.150 1.191 1.00 0.00 C ATOM 597 O ARG A 41 16.352 6.265 1.710 1.00 0.00 O ATOM 598 CB ARG A 41 15.979 2.923 2.247 1.00 0.00 C ATOM 599 CG ARG A 41 14.974 1.881 2.709 1.00 0.00 C ATOM 600 CD ARG A 41 14.416 2.215 4.084 1.00 0.00 C ATOM 601 NE ARG A 41 14.300 1.031 4.930 1.00 0.00 N ATOM 602 CZ ARG A 41 13.263 0.202 4.896 1.00 0.00 C ATOM 603 NH1 ARG A 41 12.258 0.426 4.061 1.00 0.00 N ATOM 604 NH2 ARG A 41 13.230 -0.855 5.697 1.00 0.00 N ATOM 0 H ARG A 41 14.991 2.689 -0.019 1.00 0.00 H new ATOM 0 HA ARG A 41 14.577 4.547 2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.716 2.444 1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.516 3.307 3.114 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.158 1.818 1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 41 15.451 0.901 2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 41 15.063 2.946 4.570 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.436 2.680 3.974 1.00 0.00 H new ATOM 0 HE ARG A 41 15.057 0.829 5.583 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.280 1.237 3.442 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.463 -0.212 4.037 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.002 -1.032 6.340 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.433 -1.491 5.670 1.00 0.00 H new ATOM 618 N ALA A 42 17.367 4.790 0.348 1.00 0.00 N ATOM 619 CA ALA A 42 18.438 5.705 -0.026 1.00 0.00 C ATOM 620 C ALA A 42 17.929 7.140 -0.111 1.00 0.00 C ATOM 621 O ALA A 42 18.624 8.079 0.276 1.00 0.00 O ATOM 622 CB ALA A 42 19.054 5.283 -1.352 1.00 0.00 C ATOM 0 H ALA A 42 17.426 3.870 -0.089 1.00 0.00 H new ATOM 0 HA ALA A 42 19.204 5.664 0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 42 19.852 5.975 -1.619 1.00 0.00 H new ATOM 0 HB2 ALA A 42 19.462 4.277 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 42 18.289 5.294 -2.129 1.00 0.00 H new ATOM 628 N ARG A 43 16.712 7.302 -0.619 1.00 0.00 N ATOM 629 CA ARG A 43 16.111 8.623 -0.756 1.00 0.00 C ATOM 630 C ARG A 43 15.002 8.825 0.272 1.00 0.00 C ATOM 631 O ARG A 43 14.600 9.954 0.553 1.00 0.00 O ATOM 632 CB ARG A 43 15.551 8.809 -2.168 1.00 0.00 C ATOM 633 CG ARG A 43 16.532 8.432 -3.266 1.00 0.00 C ATOM 634 CD ARG A 43 17.732 9.366 -3.286 1.00 0.00 C ATOM 635 NE ARG A 43 18.947 8.707 -2.814 1.00 0.00 N ATOM 636 CZ ARG A 43 20.169 9.192 -3.006 1.00 0.00 C ATOM 637 NH1 ARG A 43 20.337 10.335 -3.657 1.00 0.00 N ATOM 638 NH2 ARG A 43 21.225 8.534 -2.547 1.00 0.00 N ATOM 0 H ARG A 43 16.123 6.535 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 43 16.888 9.367 -0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.650 8.206 -2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 43 15.255 9.850 -2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 43 16.870 7.407 -3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 43 16.028 8.464 -4.232 1.00 0.00 H new ATOM 0 HD2 ARG A 43 17.889 9.732 -4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 43 17.525 10.235 -2.662 1.00 0.00 H new ATOM 0 HE ARG A 43 18.852 7.826 -2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 43 19.527 10.844 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 43 21.276 10.705 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 43 21.100 7.654 -2.046 1.00 0.00 H new ATOM 0 HH22 ARG A 43 22.163 8.907 -2.695 1.00 0.00 H new ATOM 652 N ASN A 44 14.511 7.723 0.830 1.00 0.00 N ATOM 653 CA ASN A 44 13.448 7.779 1.827 1.00 0.00 C ATOM 654 C ASN A 44 12.171 8.362 1.228 1.00 0.00 C ATOM 655 O ASN A 44 11.541 9.242 1.816 1.00 0.00 O ATOM 656 CB ASN A 44 13.890 8.617 3.028 1.00 0.00 C ATOM 657 CG ASN A 44 15.295 8.277 3.485 1.00 0.00 C ATOM 658 OD1 ASN A 44 16.273 8.584 2.803 1.00 0.00 O ATOM 659 ND2 ASN A 44 15.402 7.639 4.645 1.00 0.00 N ATOM 0 H ASN A 44 14.832 6.781 0.609 1.00 0.00 H new ATOM 0 HA ASN A 44 13.241 6.762 2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.842 9.674 2.767 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.195 8.460 3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.322 7.384 5.004 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.564 7.404 5.177 1.00 0.00 H new ATOM 666 N THR A 45 11.794 7.865 0.054 1.00 0.00 N ATOM 667 CA THR A 45 10.594 8.336 -0.625 1.00 0.00 C ATOM 668 C THR A 45 9.858 7.185 -1.302 1.00 0.00 C ATOM 669 O THR A 45 10.360 6.587 -2.252 1.00 0.00 O ATOM 670 CB THR A 45 10.929 9.407 -1.681 1.00 0.00 C ATOM 671 OG1 THR A 45 11.402 10.596 -1.039 1.00 0.00 O ATOM 672 CG2 THR A 45 9.708 9.733 -2.527 1.00 0.00 C ATOM 0 H THR A 45 12.303 7.136 -0.446 1.00 0.00 H new ATOM 0 HA THR A 45 9.952 8.777 0.138 1.00 0.00 H new ATOM 0 HB THR A 45 11.708 9.012 -2.333 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.614 11.271 -1.717 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.969 10.491 -3.265 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.368 8.832 -3.037 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.911 10.110 -1.886 1.00 0.00 H new ATOM 680 N GLY A 46 8.662 6.880 -0.805 1.00 0.00 N ATOM 681 CA GLY A 46 7.876 5.802 -1.375 1.00 0.00 C ATOM 682 C GLY A 46 7.160 6.215 -2.646 1.00 0.00 C ATOM 683 O GLY A 46 6.473 7.236 -2.676 1.00 0.00 O ATOM 0 H GLY A 46 8.225 7.360 -0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.528 4.955 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.143 5.464 -0.642 1.00 0.00 H new ATOM 687 N VAL A 47 7.322 5.420 -3.699 1.00 0.00 N ATOM 688 CA VAL A 47 6.686 5.709 -4.979 1.00 0.00 C ATOM 689 C VAL A 47 5.793 4.555 -5.422 1.00 0.00 C ATOM 690 O VAL A 47 6.277 3.467 -5.733 1.00 0.00 O ATOM 691 CB VAL A 47 7.732 5.985 -6.076 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.049 6.289 -7.400 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.647 7.128 -5.664 1.00 0.00 C ATOM 0 H VAL A 47 7.888 4.571 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 47 6.077 6.601 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 47 8.342 5.091 -6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.803 6.481 -8.163 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.440 5.436 -7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.414 7.168 -7.288 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.380 7.309 -6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.055 8.029 -5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.163 6.866 -4.741 1.00 0.00 H new ATOM 703 N ILE A 48 4.488 4.801 -5.448 1.00 0.00 N ATOM 704 CA ILE A 48 3.527 3.783 -5.854 1.00 0.00 C ATOM 705 C ILE A 48 3.083 3.992 -7.298 1.00 0.00 C ATOM 706 O ILE A 48 3.136 5.105 -7.820 1.00 0.00 O ATOM 707 CB ILE A 48 2.286 3.784 -4.942 1.00 0.00 C ATOM 708 CG1 ILE A 48 1.418 2.556 -5.224 1.00 0.00 C ATOM 709 CG2 ILE A 48 1.485 5.062 -5.139 1.00 0.00 C ATOM 710 CD1 ILE A 48 0.332 2.334 -4.195 1.00 0.00 C ATOM 0 H ILE A 48 4.072 5.696 -5.193 1.00 0.00 H new ATOM 0 HA ILE A 48 4.031 2.820 -5.766 1.00 0.00 H new ATOM 0 HB ILE A 48 2.616 3.742 -3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.959 2.663 -6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.055 1.672 -5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.611 5.048 -4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.107 5.923 -4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.162 5.133 -6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.243 1.447 -4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.784 2.194 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.329 3.201 -4.170 1.00 0.00 H new ATOM 722 N SER A 49 2.643 2.913 -7.938 1.00 0.00 N ATOM 723 CA SER A 49 2.191 2.977 -9.323 1.00 0.00 C ATOM 724 C SER A 49 1.138 1.908 -9.600 1.00 0.00 C ATOM 725 O SER A 49 1.036 0.917 -8.876 1.00 0.00 O ATOM 726 CB SER A 49 3.374 2.803 -10.276 1.00 0.00 C ATOM 727 OG SER A 49 3.720 1.435 -10.416 1.00 0.00 O ATOM 0 H SER A 49 2.590 1.984 -7.520 1.00 0.00 H new ATOM 0 HA SER A 49 1.742 3.956 -9.488 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.123 3.220 -11.252 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.232 3.362 -9.902 1.00 0.00 H new ATOM 0 HG SER A 49 4.387 1.195 -9.740 1.00 0.00 H new ATOM 733 N CYS A 50 0.356 2.116 -10.654 1.00 0.00 N ATOM 734 CA CYS A 50 -0.690 1.172 -11.029 1.00 0.00 C ATOM 735 C CYS A 50 -0.248 0.312 -12.210 1.00 0.00 C ATOM 736 O CYS A 50 0.739 0.616 -12.880 1.00 0.00 O ATOM 737 CB CYS A 50 -1.977 1.919 -11.382 1.00 0.00 C ATOM 738 SG CYS A 50 -3.440 0.845 -11.542 1.00 0.00 S ATOM 0 H CYS A 50 0.427 2.930 -11.264 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.879 0.519 -10.177 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.172 2.668 -10.615 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.828 2.454 -12.320 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.421 1.342 -10.848 1.00 0.00 H new ATOM 743 N THR A 51 -0.988 -0.765 -12.460 1.00 0.00 N ATOM 744 CA THR A 51 -0.673 -1.670 -13.558 1.00 0.00 C ATOM 745 C THR A 51 -1.857 -1.815 -14.507 1.00 0.00 C ATOM 746 O THR A 51 -1.888 -2.718 -15.344 1.00 0.00 O ATOM 747 CB THR A 51 -0.271 -3.064 -13.039 1.00 0.00 C ATOM 748 OG1 THR A 51 -1.392 -3.695 -12.412 1.00 0.00 O ATOM 749 CG2 THR A 51 0.880 -2.962 -12.049 1.00 0.00 C ATOM 0 H THR A 51 -1.809 -1.031 -11.917 1.00 0.00 H new ATOM 0 HA THR A 51 0.169 -1.234 -14.096 1.00 0.00 H new ATOM 0 HB THR A 51 0.054 -3.664 -13.889 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.129 -4.581 -12.086 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.146 -3.959 -11.696 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.742 -2.508 -12.538 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.578 -2.346 -11.202 1.00 0.00 H new ATOM 757 N VAL A 52 -2.831 -0.921 -14.372 1.00 0.00 N ATOM 758 CA VAL A 52 -4.017 -0.949 -15.219 1.00 0.00 C ATOM 759 C VAL A 52 -4.235 0.396 -15.904 1.00 0.00 C ATOM 760 O VAL A 52 -4.396 0.466 -17.123 1.00 0.00 O ATOM 761 CB VAL A 52 -5.277 -1.310 -14.410 1.00 0.00 C ATOM 762 CG1 VAL A 52 -6.526 -1.133 -15.259 1.00 0.00 C ATOM 763 CG2 VAL A 52 -5.179 -2.733 -13.880 1.00 0.00 C ATOM 0 H VAL A 52 -2.822 -0.168 -13.684 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.848 -1.716 -15.975 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.348 -0.633 -13.558 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.406 -1.393 -14.670 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.601 -0.095 -15.585 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.468 -1.784 -16.132 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.077 -2.972 -13.311 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.084 -3.427 -14.715 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.306 -2.821 -13.234 1.00 0.00 H new ATOM 773 N CYS A 53 -4.238 1.463 -15.113 1.00 0.00 N ATOM 774 CA CYS A 53 -4.436 2.807 -15.641 1.00 0.00 C ATOM 775 C CYS A 53 -3.097 3.478 -15.936 1.00 0.00 C ATOM 776 O CYS A 53 -3.038 4.486 -16.642 1.00 0.00 O ATOM 777 CB CYS A 53 -5.237 3.655 -14.650 1.00 0.00 C ATOM 778 SG CYS A 53 -4.403 3.916 -13.052 1.00 0.00 S ATOM 0 H CYS A 53 -4.105 1.423 -14.102 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.995 2.725 -16.573 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.444 4.625 -15.102 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.199 3.175 -14.472 1.00 0.00 H new ATOM 0 HG CYS A 53 -4.187 2.768 -12.482 1.00 0.00 H new ATOM 783 N LEU A 54 -2.026 2.913 -15.391 1.00 0.00 N ATOM 784 CA LEU A 54 -0.687 3.455 -15.595 1.00 0.00 C ATOM 785 C LEU A 54 -0.510 4.768 -14.839 1.00 0.00 C ATOM 786 O LEU A 54 -0.237 5.808 -15.437 1.00 0.00 O ATOM 787 CB LEU A 54 -0.426 3.674 -17.087 1.00 0.00 C ATOM 788 CG LEU A 54 -0.871 2.546 -18.018 1.00 0.00 C ATOM 789 CD1 LEU A 54 -0.971 3.045 -19.451 1.00 0.00 C ATOM 790 CD2 LEU A 54 0.090 1.369 -17.927 1.00 0.00 C ATOM 0 H LEU A 54 -2.058 2.079 -14.804 1.00 0.00 H new ATOM 0 HA LEU A 54 0.033 2.734 -15.208 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.930 4.591 -17.393 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.643 3.835 -17.229 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.858 2.209 -17.703 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.289 2.228 -20.099 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.698 3.855 -19.504 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.003 3.410 -19.778 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.242 0.575 -18.596 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.090 1.693 -18.216 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.111 0.995 -16.903 1.00 0.00 H new ATOM 802 N GLU A 55 -0.666 4.711 -13.520 1.00 0.00 N ATOM 803 CA GLU A 55 -0.522 5.895 -12.682 1.00 0.00 C ATOM 804 C GLU A 55 0.736 5.804 -11.822 1.00 0.00 C ATOM 805 O GLU A 55 1.459 4.810 -11.867 1.00 0.00 O ATOM 806 CB GLU A 55 -1.752 6.069 -11.789 1.00 0.00 C ATOM 807 CG GLU A 55 -2.905 6.783 -12.473 1.00 0.00 C ATOM 808 CD GLU A 55 -2.699 8.283 -12.550 1.00 0.00 C ATOM 809 OE1 GLU A 55 -2.034 8.837 -11.650 1.00 0.00 O ATOM 810 OE2 GLU A 55 -3.202 8.903 -13.510 1.00 0.00 O ATOM 0 H GLU A 55 -0.892 3.858 -13.009 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.432 6.762 -13.336 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.090 5.088 -11.455 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.467 6.628 -10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.028 6.385 -13.480 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.828 6.574 -11.933 1.00 0.00 H new ATOM 817 N GLU A 56 0.989 6.850 -11.042 1.00 0.00 N ATOM 818 CA GLU A 56 2.159 6.888 -10.173 1.00 0.00 C ATOM 819 C GLU A 56 2.046 8.020 -9.156 1.00 0.00 C ATOM 820 O GLU A 56 1.472 9.071 -9.442 1.00 0.00 O ATOM 821 CB GLU A 56 3.433 7.060 -11.004 1.00 0.00 C ATOM 822 CG GLU A 56 4.691 7.209 -10.165 1.00 0.00 C ATOM 823 CD GLU A 56 5.845 7.809 -10.945 1.00 0.00 C ATOM 824 OE1 GLU A 56 6.525 7.056 -11.673 1.00 0.00 O ATOM 825 OE2 GLU A 56 6.067 9.032 -10.828 1.00 0.00 O ATOM 0 H GLU A 56 0.400 7.681 -10.994 1.00 0.00 H new ATOM 0 HA GLU A 56 2.210 5.942 -9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.546 6.199 -11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.325 7.938 -11.641 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.475 7.838 -9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.985 6.232 -9.782 1.00 0.00 H new ATOM 832 N PHE A 57 2.596 7.797 -7.967 1.00 0.00 N ATOM 833 CA PHE A 57 2.555 8.797 -6.906 1.00 0.00 C ATOM 834 C PHE A 57 3.825 8.745 -6.062 1.00 0.00 C ATOM 835 O PHE A 57 4.438 7.689 -5.908 1.00 0.00 O ATOM 836 CB PHE A 57 1.329 8.578 -6.017 1.00 0.00 C ATOM 837 CG PHE A 57 1.346 9.400 -4.760 1.00 0.00 C ATOM 838 CD1 PHE A 57 1.234 10.780 -4.818 1.00 0.00 C ATOM 839 CD2 PHE A 57 1.473 8.793 -3.522 1.00 0.00 C ATOM 840 CE1 PHE A 57 1.250 11.539 -3.662 1.00 0.00 C ATOM 841 CE2 PHE A 57 1.490 9.546 -2.363 1.00 0.00 C ATOM 842 CZ PHE A 57 1.377 10.921 -2.433 1.00 0.00 C ATOM 0 H PHE A 57 3.075 6.933 -7.714 1.00 0.00 H new ATOM 0 HA PHE A 57 2.487 9.781 -7.370 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.430 8.817 -6.586 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.267 7.523 -5.751 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.133 11.268 -5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.560 7.718 -3.461 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.163 12.614 -3.720 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.592 9.060 -1.404 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.388 11.512 -1.529 1.00 0.00 H new ATOM 852 N GLN A 58 4.214 9.894 -5.518 1.00 0.00 N ATOM 853 CA GLN A 58 5.411 9.980 -4.690 1.00 0.00 C ATOM 854 C GLN A 58 5.067 10.456 -3.283 1.00 0.00 C ATOM 855 O GLN A 58 4.141 11.245 -3.091 1.00 0.00 O ATOM 856 CB GLN A 58 6.430 10.928 -5.327 1.00 0.00 C ATOM 857 CG GLN A 58 6.723 10.615 -6.785 1.00 0.00 C ATOM 858 CD GLN A 58 7.764 11.541 -7.383 1.00 0.00 C ATOM 859 OE1 GLN A 58 7.460 12.355 -8.256 1.00 0.00 O ATOM 860 NE2 GLN A 58 9.001 11.423 -6.915 1.00 0.00 N ATOM 0 H GLN A 58 3.718 10.777 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 58 5.846 8.983 -4.620 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.060 11.950 -5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.360 10.883 -4.760 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.068 9.584 -6.869 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.801 10.691 -7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.209 10.735 -6.191 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.743 12.020 -7.279 1.00 0.00 H new ATOM 869 N THR A 59 5.819 9.972 -2.299 1.00 0.00 N ATOM 870 CA THR A 59 5.592 10.346 -0.909 1.00 0.00 C ATOM 871 C THR A 59 6.803 10.010 -0.045 1.00 0.00 C ATOM 872 O THR A 59 7.449 8.976 -0.214 1.00 0.00 O ATOM 873 CB THR A 59 4.352 9.638 -0.331 1.00 0.00 C ATOM 874 OG1 THR A 59 4.046 10.165 0.964 1.00 0.00 O ATOM 875 CG2 THR A 59 4.583 8.137 -0.232 1.00 0.00 C ATOM 0 H THR A 59 6.591 9.320 -2.440 1.00 0.00 H new ATOM 0 HA THR A 59 5.425 11.423 -0.895 1.00 0.00 H new ATOM 0 HB THR A 59 3.513 9.817 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.256 9.711 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.694 7.658 0.179 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.787 7.734 -1.224 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.434 7.942 0.420 1.00 0.00 H new ATOM 883 N PRO A 60 7.119 10.904 0.904 1.00 0.00 N ATOM 884 CA PRO A 60 8.254 10.723 1.814 1.00 0.00 C ATOM 885 C PRO A 60 8.021 9.596 2.815 1.00 0.00 C ATOM 886 O PRO A 60 6.967 9.523 3.446 1.00 0.00 O ATOM 887 CB PRO A 60 8.346 12.069 2.537 1.00 0.00 C ATOM 888 CG PRO A 60 6.969 12.632 2.468 1.00 0.00 C ATOM 889 CD PRO A 60 6.393 12.158 1.162 1.00 0.00 C ATOM 0 HA PRO A 60 9.164 10.446 1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 60 8.670 11.942 3.570 1.00 0.00 H new ATOM 0 HB3 PRO A 60 9.068 12.729 2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.365 12.290 3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.990 13.721 2.513 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.318 11.992 1.233 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.551 12.885 0.366 1.00 0.00 H new ATOM 897 N ILE A 61 9.011 8.721 2.954 1.00 0.00 N ATOM 898 CA ILE A 61 8.914 7.599 3.879 1.00 0.00 C ATOM 899 C ILE A 61 10.215 7.409 4.651 1.00 0.00 C ATOM 900 O ILE A 61 11.138 8.216 4.543 1.00 0.00 O ATOM 901 CB ILE A 61 8.572 6.290 3.142 1.00 0.00 C ATOM 902 CG1 ILE A 61 9.642 5.973 2.095 1.00 0.00 C ATOM 903 CG2 ILE A 61 7.200 6.392 2.492 1.00 0.00 C ATOM 904 CD1 ILE A 61 10.589 4.871 2.514 1.00 0.00 C ATOM 0 H ILE A 61 9.889 8.767 2.438 1.00 0.00 H new ATOM 0 HA ILE A 61 8.111 7.834 4.577 1.00 0.00 H new ATOM 0 HB ILE A 61 8.550 5.477 3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.154 5.687 1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.217 6.876 1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.972 5.460 1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.447 6.575 3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.197 7.214 1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.320 4.700 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.105 5.163 3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.026 3.955 2.692 1.00 0.00 H new ATOM 916 N THR A 62 10.282 6.334 5.432 1.00 0.00 N ATOM 917 CA THR A 62 11.469 6.037 6.223 1.00 0.00 C ATOM 918 C THR A 62 11.529 4.559 6.591 1.00 0.00 C ATOM 919 O THR A 62 10.508 3.870 6.601 1.00 0.00 O ATOM 920 CB THR A 62 11.510 6.878 7.513 1.00 0.00 C ATOM 921 OG1 THR A 62 10.183 7.069 8.015 1.00 0.00 O ATOM 922 CG2 THR A 62 12.161 8.229 7.258 1.00 0.00 C ATOM 0 H THR A 62 9.527 5.655 5.533 1.00 0.00 H new ATOM 0 HA THR A 62 12.331 6.290 5.606 1.00 0.00 H new ATOM 0 HB THR A 62 12.104 6.341 8.252 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.218 7.603 8.836 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.179 8.805 8.183 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.181 8.080 6.904 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.591 8.771 6.504 1.00 0.00 H new ATOM 930 N TYR A 63 12.729 4.077 6.892 1.00 0.00 N ATOM 931 CA TYR A 63 12.922 2.679 7.260 1.00 0.00 C ATOM 932 C TYR A 63 11.800 2.197 8.173 1.00 0.00 C ATOM 933 O TYR A 63 11.456 1.014 8.183 1.00 0.00 O ATOM 934 CB TYR A 63 14.273 2.494 7.951 1.00 0.00 C ATOM 935 CG TYR A 63 14.279 1.389 8.984 1.00 0.00 C ATOM 936 CD1 TYR A 63 13.543 1.505 10.157 1.00 0.00 C ATOM 937 CD2 TYR A 63 15.019 0.230 8.787 1.00 0.00 C ATOM 938 CE1 TYR A 63 13.545 0.499 11.104 1.00 0.00 C ATOM 939 CE2 TYR A 63 15.026 -0.781 9.727 1.00 0.00 C ATOM 940 CZ TYR A 63 14.288 -0.643 10.884 1.00 0.00 C ATOM 941 OH TYR A 63 14.293 -1.648 11.824 1.00 0.00 O ATOM 0 H TYR A 63 13.584 4.634 6.889 1.00 0.00 H new ATOM 0 HA TYR A 63 12.904 2.083 6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 63 15.031 2.279 7.197 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.557 3.430 8.431 1.00 0.00 H new ATOM 0 HD1 TYR A 63 12.959 2.397 10.331 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.599 0.118 7.883 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.969 0.606 12.011 1.00 0.00 H new ATOM 0 HE2 TYR A 63 15.607 -1.676 9.557 1.00 0.00 H new ATOM 0 HH TYR A 63 14.865 -2.382 11.515 1.00 0.00 H new ATOM 951 N LEU A 64 11.231 3.121 8.940 1.00 0.00 N ATOM 952 CA LEU A 64 10.146 2.792 9.858 1.00 0.00 C ATOM 953 C LEU A 64 8.842 2.565 9.101 1.00 0.00 C ATOM 954 O LEU A 64 8.155 1.566 9.312 1.00 0.00 O ATOM 955 CB LEU A 64 9.965 3.910 10.886 1.00 0.00 C ATOM 956 CG LEU A 64 11.002 3.965 12.008 1.00 0.00 C ATOM 957 CD1 LEU A 64 12.276 4.640 11.525 1.00 0.00 C ATOM 958 CD2 LEU A 64 10.438 4.691 13.221 1.00 0.00 C ATOM 0 H LEU A 64 11.503 4.104 8.944 1.00 0.00 H new ATOM 0 HA LEU A 64 10.408 1.870 10.376 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.977 4.865 10.360 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.978 3.806 11.336 1.00 0.00 H new ATOM 0 HG LEU A 64 11.245 2.944 12.302 1.00 0.00 H new ATOM 0 HD11 LEU A 64 13.002 4.670 12.337 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.691 4.078 10.688 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.050 5.656 11.203 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.190 4.720 14.010 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.165 5.709 12.942 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.554 4.165 13.582 1.00 0.00 H new ATOM 970 N SER A 65 8.508 3.499 8.216 1.00 0.00 N ATOM 971 CA SER A 65 7.285 3.402 7.428 1.00 0.00 C ATOM 972 C SER A 65 7.130 2.005 6.834 1.00 0.00 C ATOM 973 O SER A 65 8.075 1.217 6.820 1.00 0.00 O ATOM 974 CB SER A 65 7.290 4.446 6.309 1.00 0.00 C ATOM 975 OG SER A 65 7.291 5.760 6.838 1.00 0.00 O ATOM 0 H SER A 65 9.067 4.331 8.027 1.00 0.00 H new ATOM 0 HA SER A 65 6.440 3.592 8.090 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.168 4.304 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.415 4.307 5.674 1.00 0.00 H new ATOM 0 HG SER A 65 7.296 6.408 6.103 1.00 0.00 H new ATOM 981 N GLU A 66 5.930 1.706 6.346 1.00 0.00 N ATOM 982 CA GLU A 66 5.651 0.404 5.752 1.00 0.00 C ATOM 983 C GLU A 66 5.032 0.559 4.366 1.00 0.00 C ATOM 984 O GLU A 66 4.484 1.605 4.017 1.00 0.00 O ATOM 985 CB GLU A 66 4.715 -0.403 6.654 1.00 0.00 C ATOM 986 CG GLU A 66 5.436 -1.173 7.747 1.00 0.00 C ATOM 987 CD GLU A 66 4.502 -2.057 8.551 1.00 0.00 C ATOM 988 OE1 GLU A 66 3.651 -2.733 7.936 1.00 0.00 O ATOM 989 OE2 GLU A 66 4.623 -2.073 9.794 1.00 0.00 O ATOM 0 H GLU A 66 5.137 2.347 6.350 1.00 0.00 H new ATOM 0 HA GLU A 66 6.596 -0.130 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.994 0.274 7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.149 -1.104 6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.216 -1.788 7.299 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.930 -0.469 8.417 1.00 0.00 H new ATOM 996 N PRO A 67 5.120 -0.507 3.556 1.00 0.00 N ATOM 997 CA PRO A 67 4.574 -0.514 2.195 1.00 0.00 C ATOM 998 C PRO A 67 3.049 -0.507 2.183 1.00 0.00 C ATOM 999 O PRO A 67 2.427 -0.382 1.127 1.00 0.00 O ATOM 1000 CB PRO A 67 5.107 -1.822 1.606 1.00 0.00 C ATOM 1001 CG PRO A 67 5.344 -2.700 2.786 1.00 0.00 C ATOM 1002 CD PRO A 67 5.758 -1.786 3.906 1.00 0.00 C ATOM 0 HA PRO A 67 4.867 0.373 1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.389 -2.268 0.918 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.026 -1.657 1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.442 -3.254 3.047 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.120 -3.436 2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 67 5.415 -2.155 4.873 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.842 -1.691 3.967 1.00 0.00 H new ATOM 1010 N VAL A 68 2.451 -0.642 3.362 1.00 0.00 N ATOM 1011 CA VAL A 68 0.998 -0.649 3.487 1.00 0.00 C ATOM 1012 C VAL A 68 0.466 0.745 3.798 1.00 0.00 C ATOM 1013 O VAL A 68 -0.641 1.102 3.395 1.00 0.00 O ATOM 1014 CB VAL A 68 0.534 -1.621 4.588 1.00 0.00 C ATOM 1015 CG1 VAL A 68 1.086 -1.198 5.941 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -0.984 -1.701 4.623 1.00 0.00 C ATOM 0 H VAL A 68 2.950 -0.748 4.245 1.00 0.00 H new ATOM 0 HA VAL A 68 0.600 -0.981 2.528 1.00 0.00 H new ATOM 0 HB VAL A 68 0.921 -2.614 4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.748 -1.896 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.175 -1.198 5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.731 -0.196 6.182 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.294 -2.392 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.396 -0.713 4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.352 -2.056 3.660 1.00 0.00 H new ATOM 1026 N ASP A 69 1.262 1.530 4.515 1.00 0.00 N ATOM 1027 CA ASP A 69 0.872 2.887 4.880 1.00 0.00 C ATOM 1028 C ASP A 69 0.833 3.789 3.650 1.00 0.00 C ATOM 1029 O ASP A 69 -0.146 4.499 3.419 1.00 0.00 O ATOM 1030 CB ASP A 69 1.841 3.458 5.916 1.00 0.00 C ATOM 1031 CG ASP A 69 1.127 4.007 7.135 1.00 0.00 C ATOM 1032 OD1 ASP A 69 0.111 4.711 6.960 1.00 0.00 O ATOM 1033 OD2 ASP A 69 1.585 3.733 8.265 1.00 0.00 O ATOM 0 H ASP A 69 2.182 1.250 4.855 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.128 2.848 5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.537 2.679 6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.433 4.250 5.458 1.00 0.00 H new ATOM 1038 N VAL A 70 1.905 3.758 2.865 1.00 0.00 N ATOM 1039 CA VAL A 70 1.993 4.572 1.659 1.00 0.00 C ATOM 1040 C VAL A 70 0.697 4.513 0.859 1.00 0.00 C ATOM 1041 O VAL A 70 0.230 5.525 0.337 1.00 0.00 O ATOM 1042 CB VAL A 70 3.159 4.120 0.760 1.00 0.00 C ATOM 1043 CG1 VAL A 70 3.210 4.955 -0.510 1.00 0.00 C ATOM 1044 CG2 VAL A 70 4.477 4.203 1.515 1.00 0.00 C ATOM 0 H VAL A 70 2.725 3.178 3.043 1.00 0.00 H new ATOM 0 HA VAL A 70 2.170 5.598 1.983 1.00 0.00 H new ATOM 0 HB VAL A 70 2.993 3.081 0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.040 4.621 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.276 4.839 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.351 6.004 -0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.290 3.880 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.652 5.232 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.435 3.557 2.392 1.00 0.00 H new ATOM 1054 N TYR A 71 0.119 3.320 0.768 1.00 0.00 N ATOM 1055 CA TYR A 71 -1.124 3.128 0.030 1.00 0.00 C ATOM 1056 C TYR A 71 -2.226 4.031 0.573 1.00 0.00 C ATOM 1057 O TYR A 71 -2.865 4.770 -0.176 1.00 0.00 O ATOM 1058 CB TYR A 71 -1.565 1.665 0.105 1.00 0.00 C ATOM 1059 CG TYR A 71 -2.978 1.433 -0.380 1.00 0.00 C ATOM 1060 CD1 TYR A 71 -3.432 2.011 -1.559 1.00 0.00 C ATOM 1061 CD2 TYR A 71 -3.859 0.635 0.340 1.00 0.00 C ATOM 1062 CE1 TYR A 71 -4.722 1.803 -2.006 1.00 0.00 C ATOM 1063 CE2 TYR A 71 -5.150 0.420 -0.100 1.00 0.00 C ATOM 1064 CZ TYR A 71 -5.577 1.006 -1.274 1.00 0.00 C ATOM 1065 OH TYR A 71 -6.864 0.795 -1.715 1.00 0.00 O ATOM 0 H TYR A 71 0.491 2.472 1.196 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.943 3.394 -1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -0.882 1.057 -0.488 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.483 1.322 1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.764 2.634 -2.136 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.528 0.175 1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.059 2.262 -2.924 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.822 -0.203 0.471 1.00 0.00 H new ATOM 0 HH TYR A 71 -7.334 0.210 -1.085 1.00 0.00 H new ATOM 1075 N SER A 72 -2.442 3.967 1.883 1.00 0.00 N ATOM 1076 CA SER A 72 -3.469 4.777 2.529 1.00 0.00 C ATOM 1077 C SER A 72 -3.271 6.257 2.215 1.00 0.00 C ATOM 1078 O SER A 72 -4.226 6.970 1.906 1.00 0.00 O ATOM 1079 CB SER A 72 -3.445 4.557 4.043 1.00 0.00 C ATOM 1080 OG SER A 72 -4.657 3.979 4.494 1.00 0.00 O ATOM 0 H SER A 72 -1.920 3.363 2.518 1.00 0.00 H new ATOM 0 HA SER A 72 -4.439 4.468 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.609 3.908 4.306 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.282 5.508 4.549 1.00 0.00 H new ATOM 0 HG SER A 72 -4.615 3.847 5.464 1.00 0.00 H new ATOM 1086 N ASP A 73 -2.025 6.711 2.297 1.00 0.00 N ATOM 1087 CA ASP A 73 -1.700 8.105 2.021 1.00 0.00 C ATOM 1088 C ASP A 73 -2.157 8.503 0.621 1.00 0.00 C ATOM 1089 O ASP A 73 -2.819 9.525 0.441 1.00 0.00 O ATOM 1090 CB ASP A 73 -0.195 8.338 2.165 1.00 0.00 C ATOM 1091 CG ASP A 73 0.239 8.439 3.614 1.00 0.00 C ATOM 1092 OD1 ASP A 73 -0.612 8.765 4.467 1.00 0.00 O ATOM 1093 OD2 ASP A 73 1.431 8.192 3.894 1.00 0.00 O ATOM 0 H ASP A 73 -1.224 6.134 2.552 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.227 8.726 2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.344 7.522 1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.080 9.254 1.642 1.00 0.00 H new ATOM 1098 N TRP A 74 -1.799 7.690 -0.366 1.00 0.00 N ATOM 1099 CA TRP A 74 -2.172 7.958 -1.750 1.00 0.00 C ATOM 1100 C TRP A 74 -3.665 8.245 -1.866 1.00 0.00 C ATOM 1101 O TRP A 74 -4.085 9.085 -2.663 1.00 0.00 O ATOM 1102 CB TRP A 74 -1.798 6.772 -2.640 1.00 0.00 C ATOM 1103 CG TRP A 74 -1.933 7.061 -4.104 1.00 0.00 C ATOM 1104 CD1 TRP A 74 -1.807 8.277 -4.714 1.00 0.00 C ATOM 1105 CD2 TRP A 74 -2.222 6.117 -5.141 1.00 0.00 C ATOM 1106 NE1 TRP A 74 -2.001 8.145 -6.068 1.00 0.00 N ATOM 1107 CE2 TRP A 74 -2.255 6.830 -6.356 1.00 0.00 C ATOM 1108 CE3 TRP A 74 -2.452 4.739 -5.163 1.00 0.00 C ATOM 1109 CZ2 TRP A 74 -2.512 6.210 -7.576 1.00 0.00 C ATOM 1110 CZ3 TRP A 74 -2.707 4.126 -6.374 1.00 0.00 C ATOM 1111 CH2 TRP A 74 -2.735 4.860 -7.567 1.00 0.00 C ATOM 0 H TRP A 74 -1.251 6.840 -0.234 1.00 0.00 H new ATOM 0 HA TRP A 74 -1.624 8.840 -2.083 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -0.770 6.478 -2.428 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.431 5.922 -2.385 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.587 9.205 -4.207 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.962 8.904 -6.749 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.431 4.164 -4.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -2.535 6.774 -8.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.888 3.062 -6.402 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.937 4.350 -8.498 1.00 0.00 H new ATOM 1122 N ILE A 75 -4.462 7.544 -1.067 1.00 0.00 N ATOM 1123 CA ILE A 75 -5.908 7.726 -1.080 1.00 0.00 C ATOM 1124 C ILE A 75 -6.286 9.153 -0.700 1.00 0.00 C ATOM 1125 O ILE A 75 -6.839 9.896 -1.511 1.00 0.00 O ATOM 1126 CB ILE A 75 -6.607 6.748 -0.116 1.00 0.00 C ATOM 1127 CG1 ILE A 75 -6.116 5.319 -0.360 1.00 0.00 C ATOM 1128 CG2 ILE A 75 -8.117 6.831 -0.281 1.00 0.00 C ATOM 1129 CD1 ILE A 75 -6.235 4.878 -1.802 1.00 0.00 C ATOM 0 H ILE A 75 -4.131 6.845 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.242 7.523 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.357 7.028 0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.074 5.244 -0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.686 4.635 0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.597 6.134 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.452 7.845 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.386 6.573 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.869 3.856 -1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.280 4.921 -2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.642 5.539 -2.435 1.00 0.00 H new ATOM 1141 N ASP A 76 -5.983 9.531 0.537 1.00 0.00 N ATOM 1142 CA ASP A 76 -6.288 10.871 1.024 1.00 0.00 C ATOM 1143 C ASP A 76 -5.561 11.928 0.198 1.00 0.00 C ATOM 1144 O ASP A 76 -6.018 13.065 0.087 1.00 0.00 O ATOM 1145 CB ASP A 76 -5.901 11.002 2.498 1.00 0.00 C ATOM 1146 CG ASP A 76 -7.096 11.276 3.389 1.00 0.00 C ATOM 1147 OD1 ASP A 76 -8.022 11.982 2.938 1.00 0.00 O ATOM 1148 OD2 ASP A 76 -7.106 10.784 4.537 1.00 0.00 O ATOM 0 H ASP A 76 -5.526 8.928 1.221 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.361 11.032 0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.411 10.085 2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.176 11.808 2.610 1.00 0.00 H new ATOM 1153 N ALA A 77 -4.427 11.544 -0.378 1.00 0.00 N ATOM 1154 CA ALA A 77 -3.637 12.458 -1.194 1.00 0.00 C ATOM 1155 C ALA A 77 -4.395 12.864 -2.453 1.00 0.00 C ATOM 1156 O ALA A 77 -4.285 14.000 -2.916 1.00 0.00 O ATOM 1157 CB ALA A 77 -2.304 11.822 -1.559 1.00 0.00 C ATOM 0 H ALA A 77 -4.035 10.606 -0.295 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.449 13.358 -0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.725 12.516 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.751 11.589 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.480 10.905 -2.121 1.00 0.00 H new ATOM 1163 N CYS A 78 -5.163 11.930 -3.003 1.00 0.00 N ATOM 1164 CA CYS A 78 -5.938 12.190 -4.210 1.00 0.00 C ATOM 1165 C CYS A 78 -7.251 12.889 -3.873 1.00 0.00 C ATOM 1166 O CYS A 78 -7.641 13.849 -4.537 1.00 0.00 O ATOM 1167 CB CYS A 78 -6.218 10.883 -4.953 1.00 0.00 C ATOM 1168 SG CYS A 78 -6.823 11.108 -6.642 1.00 0.00 S ATOM 0 H CYS A 78 -5.265 10.986 -2.632 1.00 0.00 H new ATOM 0 HA CYS A 78 -5.353 12.847 -4.853 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -5.303 10.291 -4.982 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -6.952 10.307 -4.389 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.088 10.417 -7.462 1.00 0.00 H new ATOM 1174 N GLU A 79 -7.928 12.399 -2.839 1.00 0.00 N ATOM 1175 CA GLU A 79 -9.199 12.976 -2.417 1.00 0.00 C ATOM 1176 C GLU A 79 -9.173 14.497 -2.540 1.00 0.00 C ATOM 1177 O GLU A 79 -10.114 15.105 -3.049 1.00 0.00 O ATOM 1178 CB GLU A 79 -9.512 12.575 -0.974 1.00 0.00 C ATOM 1179 CG GLU A 79 -9.977 11.136 -0.829 1.00 0.00 C ATOM 1180 CD GLU A 79 -11.283 11.018 -0.068 1.00 0.00 C ATOM 1181 OE1 GLU A 79 -12.352 11.139 -0.700 1.00 0.00 O ATOM 1182 OE2 GLU A 79 -11.234 10.805 1.162 1.00 0.00 O ATOM 0 H GLU A 79 -7.618 11.605 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.980 12.589 -3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -8.621 12.723 -0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.282 13.238 -0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.097 10.695 -1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.208 10.560 -0.315 1.00 0.00 H new