USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 653 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 101 ASN : amide:sc= -0.273 X(o=-0.82,f=-0.95) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -0.548 K(o=-0.82,f=-1.6) USER MOD Set 2.1: A 72 CYS SG : rot 170:sc= 0.538 USER MOD Set 2.2: A 93 THR OG1 : rot 171:sc= -0.423 USER MOD Set 3.1: A 81 ASN : amide:sc= -0.193 X(o=-0.2,f=-0.0041) USER MOD Set 3.2: A 85 THR OG1 : rot 180:sc= -0.0041 USER MOD Set 3.3: A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -128:sc= -0.481 (180deg=-2.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.188 K(o=-0.19,f=-0.75) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00383) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0779 USER MOD Single : A 67 THR OG1 : rot 102:sc= -0.789 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 31:sc= 0.26 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc=-0.00805 USER MOD Single : A 89 SER OG : rot 180:sc= -0.0619 USER MOD Single : A 90 TYR OH : rot 171:sc= 0.454 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot -23:sc= 0.61 USER MOD Single : A 112 SER OG : rot -112:sc= -0.12 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl 171:sc= -0.0588 (180deg=-0.275) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.400 19.110 -0.892 1.00 0.00 N ATOM 363 CA PRO A 29 2.651 17.856 -0.774 1.00 0.00 C ATOM 364 C PRO A 29 1.199 18.083 -0.366 1.00 0.00 C ATOM 365 O PRO A 29 0.921 18.554 0.737 1.00 0.00 O ATOM 366 CB PRO A 29 3.401 17.095 0.322 1.00 0.00 C ATOM 367 CG PRO A 29 4.060 18.155 1.136 1.00 0.00 C ATOM 368 CD PRO A 29 4.404 19.260 0.176 1.00 0.00 C ATOM 0 HA PRO A 29 2.599 17.323 -1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.719 16.498 0.927 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.134 16.409 -0.103 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.395 18.514 1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.955 17.771 1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.342 20.239 0.651 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.419 19.156 -0.209 1.00 0.00 H new ATOM 376 N ASP A 30 0.278 17.747 -1.263 1.00 0.00 N ATOM 377 CA ASP A 30 -1.145 17.914 -0.995 1.00 0.00 C ATOM 378 C ASP A 30 -1.882 16.584 -1.126 1.00 0.00 C ATOM 379 O ASP A 30 -2.299 16.182 -2.212 1.00 0.00 O ATOM 380 CB ASP A 30 -1.749 18.942 -1.953 1.00 0.00 C ATOM 381 CG ASP A 30 -1.252 20.348 -1.682 1.00 0.00 C ATOM 382 OD1 ASP A 30 -1.741 20.976 -0.719 1.00 0.00 O ATOM 383 OD2 ASP A 30 -0.372 20.820 -2.431 1.00 0.00 O ATOM 0 H ASP A 30 0.492 17.358 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.257 18.272 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.506 18.665 -2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.835 18.921 -1.866 1.00 0.00 H new ATOM 388 N PRO A 31 -2.046 15.884 0.007 1.00 0.00 N ATOM 389 CA PRO A 31 -2.732 14.589 0.045 1.00 0.00 C ATOM 390 C PRO A 31 -4.230 14.719 -0.207 1.00 0.00 C ATOM 391 O PRO A 31 -4.857 13.816 -0.760 1.00 0.00 O ATOM 392 CB PRO A 31 -2.470 14.091 1.468 1.00 0.00 C ATOM 393 CG PRO A 31 -2.241 15.328 2.267 1.00 0.00 C ATOM 394 CD PRO A 31 -1.574 16.303 1.337 1.00 0.00 C ATOM 0 HA PRO A 31 -2.371 13.914 -0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.318 13.524 1.851 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.603 13.431 1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.182 15.729 2.644 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.612 15.122 3.133 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.861 17.331 1.560 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.488 16.251 1.412 1.00 0.00 H new ATOM 402 N SER A 32 -4.798 15.849 0.203 1.00 0.00 N ATOM 403 CA SER A 32 -6.224 16.096 0.025 1.00 0.00 C ATOM 404 C SER A 32 -6.614 15.990 -1.447 1.00 0.00 C ATOM 405 O SER A 32 -7.771 15.728 -1.778 1.00 0.00 O ATOM 406 CB SER A 32 -6.596 17.478 0.564 1.00 0.00 C ATOM 407 OG SER A 32 -5.779 18.485 -0.008 1.00 0.00 O ATOM 0 H SER A 32 -4.292 16.608 0.661 1.00 0.00 H new ATOM 0 HA SER A 32 -6.771 15.337 0.584 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.643 17.687 0.346 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.488 17.490 1.649 1.00 0.00 H new ATOM 0 HG SER A 32 -6.038 19.359 0.351 1.00 0.00 H new ATOM 413 N LYS A 33 -5.640 16.196 -2.326 1.00 0.00 N ATOM 414 CA LYS A 33 -5.878 16.123 -3.763 1.00 0.00 C ATOM 415 C LYS A 33 -5.646 14.708 -4.282 1.00 0.00 C ATOM 416 O LYS A 33 -6.360 14.235 -5.167 1.00 0.00 O ATOM 417 CB LYS A 33 -4.966 17.105 -4.502 1.00 0.00 C ATOM 418 CG LYS A 33 -5.124 18.544 -4.045 1.00 0.00 C ATOM 419 CD LYS A 33 -6.489 19.100 -4.414 1.00 0.00 C ATOM 420 CE LYS A 33 -6.600 19.358 -5.908 1.00 0.00 C ATOM 421 NZ LYS A 33 -7.119 18.168 -6.639 1.00 0.00 N ATOM 0 H LYS A 33 -4.678 16.415 -2.069 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.918 16.393 -3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.929 16.800 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.174 17.047 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.987 18.601 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.346 19.158 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.264 18.398 -4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.665 20.028 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.260 20.208 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.621 19.629 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.480 17.939 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.172 17.357 -5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.068 18.376 -7.011 1.00 0.00 H new ATOM 435 N VAL A 34 -4.645 14.034 -3.725 1.00 0.00 N ATOM 436 CA VAL A 34 -4.321 12.672 -4.129 1.00 0.00 C ATOM 437 C VAL A 34 -5.551 11.774 -4.072 1.00 0.00 C ATOM 438 O VAL A 34 -6.070 11.480 -2.994 1.00 0.00 O ATOM 439 CB VAL A 34 -3.217 12.069 -3.240 1.00 0.00 C ATOM 440 CG1 VAL A 34 -3.010 10.599 -3.568 1.00 0.00 C ATOM 441 CG2 VAL A 34 -1.920 12.848 -3.399 1.00 0.00 C ATOM 0 H VAL A 34 -4.044 14.410 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.961 12.725 -5.156 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.532 12.143 -2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.226 10.191 -2.930 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.938 10.054 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.717 10.497 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.151 12.408 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.597 12.809 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.081 13.886 -3.108 1.00 0.00 H new ATOM 451 N LYS A 35 -6.016 11.340 -5.239 1.00 0.00 N ATOM 452 CA LYS A 35 -7.185 10.473 -5.323 1.00 0.00 C ATOM 453 C LYS A 35 -6.822 9.129 -5.945 1.00 0.00 C ATOM 454 O LYS A 35 -6.087 9.068 -6.930 1.00 0.00 O ATOM 455 CB LYS A 35 -8.286 11.147 -6.146 1.00 0.00 C ATOM 456 CG LYS A 35 -9.144 12.109 -5.341 1.00 0.00 C ATOM 457 CD LYS A 35 -10.206 12.766 -6.207 1.00 0.00 C ATOM 458 CE LYS A 35 -9.600 13.800 -7.143 1.00 0.00 C ATOM 459 NZ LYS A 35 -10.571 14.244 -8.181 1.00 0.00 N ATOM 0 H LYS A 35 -5.600 11.575 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.551 10.298 -4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.829 11.687 -6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.926 10.379 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.622 11.573 -4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.511 12.876 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.724 12.005 -6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.952 13.242 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.266 14.662 -6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.718 13.380 -7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.120 14.949 -8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.870 13.426 -8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.402 14.668 -7.721 1.00 0.00 H new ATOM 473 N ALA A 36 -7.344 8.053 -5.364 1.00 0.00 N ATOM 474 CA ALA A 36 -7.077 6.710 -5.864 1.00 0.00 C ATOM 475 C ALA A 36 -8.365 6.022 -6.304 1.00 0.00 C ATOM 476 O ALA A 36 -9.275 5.812 -5.501 1.00 0.00 O ATOM 477 CB ALA A 36 -6.371 5.882 -4.801 1.00 0.00 C ATOM 0 H ALA A 36 -7.954 8.086 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.426 6.796 -6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.178 4.881 -5.188 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.426 6.358 -4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.002 5.813 -3.915 1.00 0.00 H new ATOM 483 N HIS A 37 -8.437 5.674 -7.585 1.00 0.00 N ATOM 484 CA HIS A 37 -9.615 5.010 -8.132 1.00 0.00 C ATOM 485 C HIS A 37 -9.213 3.824 -9.004 1.00 0.00 C ATOM 486 O HIS A 37 -8.351 3.944 -9.874 1.00 0.00 O ATOM 487 CB HIS A 37 -10.451 5.997 -8.946 1.00 0.00 C ATOM 488 CG HIS A 37 -9.638 6.856 -9.864 1.00 0.00 C ATOM 489 ND1 HIS A 37 -9.264 6.460 -11.131 1.00 0.00 N ATOM 490 CD2 HIS A 37 -9.128 8.099 -9.695 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.558 7.421 -11.700 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.461 8.427 -10.849 1.00 0.00 N ATOM 0 H HIS A 37 -7.694 5.841 -8.263 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.213 4.640 -7.299 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.183 5.442 -9.534 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.010 6.637 -8.263 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.228 8.718 -8.815 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -8.133 7.390 -12.692 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.970 9.304 -11.021 1.00 0.00 H new ATOM 501 N GLY A 38 -9.845 2.679 -8.765 1.00 0.00 N ATOM 502 CA GLY A 38 -9.540 1.488 -9.537 1.00 0.00 C ATOM 503 C GLY A 38 -10.111 0.231 -8.912 1.00 0.00 C ATOM 504 O GLY A 38 -10.685 0.258 -7.824 1.00 0.00 O ATOM 0 H GLY A 38 -10.563 2.555 -8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.937 1.601 -10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.459 1.385 -9.629 1.00 0.00 H new ATOM 508 N PRO A 39 -9.957 -0.904 -9.611 1.00 0.00 N ATOM 509 CA PRO A 39 -10.456 -2.199 -9.138 1.00 0.00 C ATOM 510 C PRO A 39 -9.675 -2.717 -7.936 1.00 0.00 C ATOM 511 O PRO A 39 -10.254 -3.251 -6.991 1.00 0.00 O ATOM 512 CB PRO A 39 -10.254 -3.119 -10.345 1.00 0.00 C ATOM 513 CG PRO A 39 -9.142 -2.494 -11.115 1.00 0.00 C ATOM 514 CD PRO A 39 -9.282 -1.011 -10.916 1.00 0.00 C ATOM 0 HA PRO A 39 -11.490 -2.139 -8.799 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.999 -4.132 -10.033 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.161 -3.189 -10.946 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.174 -2.846 -10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.205 -2.753 -12.172 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.312 -0.513 -10.909 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.870 -0.553 -11.711 1.00 0.00 H new ATOM 522 N GLY A 40 -8.356 -2.556 -7.978 1.00 0.00 N ATOM 523 CA GLY A 40 -7.517 -3.014 -6.886 1.00 0.00 C ATOM 524 C GLY A 40 -8.000 -2.518 -5.537 1.00 0.00 C ATOM 525 O GLY A 40 -7.786 -3.170 -4.515 1.00 0.00 O ATOM 0 H GLY A 40 -7.853 -2.116 -8.749 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.494 -4.104 -6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.494 -2.674 -7.050 1.00 0.00 H new ATOM 529 N LEU A 41 -8.653 -1.361 -5.533 1.00 0.00 N ATOM 530 CA LEU A 41 -9.167 -0.777 -4.299 1.00 0.00 C ATOM 531 C LEU A 41 -10.418 -1.512 -3.829 1.00 0.00 C ATOM 532 O LEU A 41 -10.507 -1.929 -2.675 1.00 0.00 O ATOM 533 CB LEU A 41 -9.479 0.706 -4.506 1.00 0.00 C ATOM 534 CG LEU A 41 -8.337 1.564 -5.050 1.00 0.00 C ATOM 535 CD1 LEU A 41 -8.819 2.977 -5.337 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.172 1.584 -4.071 1.00 0.00 C ATOM 0 H LEU A 41 -8.839 -0.809 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.400 -0.877 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.324 0.787 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.799 1.126 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.992 1.124 -5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.992 3.572 -5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.619 2.945 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.192 3.428 -4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.368 2.200 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.504 1.999 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.809 0.568 -3.917 1.00 0.00 H new ATOM 548 N GLU A 42 -11.382 -1.667 -4.732 1.00 0.00 N ATOM 549 CA GLU A 42 -12.627 -2.353 -4.409 1.00 0.00 C ATOM 550 C GLU A 42 -12.364 -3.805 -4.020 1.00 0.00 C ATOM 551 O GLU A 42 -13.048 -4.363 -3.163 1.00 0.00 O ATOM 552 CB GLU A 42 -13.589 -2.298 -5.598 1.00 0.00 C ATOM 553 CG GLU A 42 -14.016 -0.889 -5.971 1.00 0.00 C ATOM 554 CD GLU A 42 -15.318 -0.860 -6.748 1.00 0.00 C ATOM 555 OE1 GLU A 42 -16.230 -1.641 -6.407 1.00 0.00 O ATOM 556 OE2 GLU A 42 -15.424 -0.056 -7.697 1.00 0.00 O ATOM 0 H GLU A 42 -11.324 -1.327 -5.692 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.082 -1.844 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.114 -2.765 -6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.476 -2.887 -5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.125 -0.294 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.232 -0.421 -6.566 1.00 0.00 H new ATOM 563 N GLY A 43 -11.366 -4.410 -4.657 1.00 0.00 N ATOM 564 CA GLY A 43 -11.029 -5.791 -4.365 1.00 0.00 C ATOM 565 C GLY A 43 -10.631 -6.566 -5.606 1.00 0.00 C ATOM 566 O GLY A 43 -10.388 -5.980 -6.660 1.00 0.00 O ATOM 0 H GLY A 43 -10.785 -3.969 -5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.210 -5.818 -3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.883 -6.278 -3.894 1.00 0.00 H new ATOM 570 N GLY A 44 -10.562 -7.887 -5.480 1.00 0.00 N ATOM 571 CA GLY A 44 -10.188 -8.721 -6.608 1.00 0.00 C ATOM 572 C GLY A 44 -10.356 -10.199 -6.317 1.00 0.00 C ATOM 573 O GLY A 44 -11.390 -10.624 -5.798 1.00 0.00 O ATOM 0 H GLY A 44 -10.758 -8.395 -4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.796 -8.453 -7.472 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.150 -8.522 -6.875 1.00 0.00 H new ATOM 577 N LEU A 45 -9.340 -10.986 -6.653 1.00 0.00 N ATOM 578 CA LEU A 45 -9.381 -12.427 -6.427 1.00 0.00 C ATOM 579 C LEU A 45 -8.091 -12.912 -5.772 1.00 0.00 C ATOM 580 O LEU A 45 -7.053 -12.257 -5.862 1.00 0.00 O ATOM 581 CB LEU A 45 -9.604 -13.165 -7.748 1.00 0.00 C ATOM 582 CG LEU A 45 -10.918 -12.865 -8.470 1.00 0.00 C ATOM 583 CD1 LEU A 45 -10.807 -13.210 -9.947 1.00 0.00 C ATOM 584 CD2 LEU A 45 -12.066 -13.630 -7.828 1.00 0.00 C ATOM 0 H LEU A 45 -8.478 -10.651 -7.083 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.212 -12.641 -5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.780 -12.924 -8.420 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.555 -14.237 -7.555 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.123 -11.798 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.752 -12.990 -10.444 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.012 -12.618 -10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.578 -14.270 -10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.993 -13.404 -8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.867 -14.700 -7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -12.161 -13.334 -6.783 1.00 0.00 H new ATOM 596 N VAL A 46 -8.164 -14.065 -5.116 1.00 0.00 N ATOM 597 CA VAL A 46 -7.002 -14.640 -4.449 1.00 0.00 C ATOM 598 C VAL A 46 -5.936 -15.049 -5.459 1.00 0.00 C ATOM 599 O VAL A 46 -6.248 -15.454 -6.578 1.00 0.00 O ATOM 600 CB VAL A 46 -7.391 -15.868 -3.603 1.00 0.00 C ATOM 601 CG1 VAL A 46 -6.178 -16.413 -2.866 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.503 -15.513 -2.629 1.00 0.00 C ATOM 0 H VAL A 46 -9.016 -14.620 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.599 -13.869 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.760 -16.646 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.471 -17.280 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.416 -16.708 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.776 -15.643 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.765 -16.392 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.164 -14.718 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.378 -15.174 -3.184 1.00 0.00 H new ATOM 612 N GLY A 47 -4.673 -14.941 -5.055 1.00 0.00 N ATOM 613 CA GLY A 47 -3.579 -15.303 -5.936 1.00 0.00 C ATOM 614 C GLY A 47 -3.678 -14.631 -7.291 1.00 0.00 C ATOM 615 O GLY A 47 -3.190 -15.157 -8.291 1.00 0.00 O ATOM 0 H GLY A 47 -4.389 -14.609 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.634 -15.030 -5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.568 -16.385 -6.070 1.00 0.00 H new ATOM 619 N LYS A 48 -4.315 -13.465 -7.326 1.00 0.00 N ATOM 620 CA LYS A 48 -4.478 -12.719 -8.568 1.00 0.00 C ATOM 621 C LYS A 48 -4.000 -11.279 -8.405 1.00 0.00 C ATOM 622 O LYS A 48 -4.150 -10.666 -7.348 1.00 0.00 O ATOM 623 CB LYS A 48 -5.944 -12.734 -9.007 1.00 0.00 C ATOM 624 CG LYS A 48 -6.327 -13.967 -9.807 1.00 0.00 C ATOM 625 CD LYS A 48 -7.437 -13.665 -10.799 1.00 0.00 C ATOM 626 CE LYS A 48 -7.490 -14.703 -11.909 1.00 0.00 C ATOM 627 NZ LYS A 48 -7.812 -16.059 -11.385 1.00 0.00 N ATOM 0 H LYS A 48 -4.727 -13.016 -6.508 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.870 -13.200 -9.334 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.580 -12.672 -8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.144 -11.846 -9.606 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.453 -14.342 -10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.649 -14.757 -9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.394 -13.638 -10.278 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.281 -12.676 -11.231 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.239 -14.410 -12.644 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.531 -14.732 -12.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.856 -16.735 -12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.074 -16.356 -10.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.731 -16.034 -10.899 1.00 0.00 H new ATOM 641 N PRO A 49 -3.411 -10.726 -9.475 1.00 0.00 N ATOM 642 CA PRO A 49 -2.900 -9.352 -9.476 1.00 0.00 C ATOM 643 C PRO A 49 -4.020 -8.318 -9.435 1.00 0.00 C ATOM 644 O PRO A 49 -5.005 -8.427 -10.164 1.00 0.00 O ATOM 645 CB PRO A 49 -2.134 -9.258 -10.797 1.00 0.00 C ATOM 646 CG PRO A 49 -2.769 -10.280 -11.676 1.00 0.00 C ATOM 647 CD PRO A 49 -3.198 -11.399 -10.767 1.00 0.00 C ATOM 0 HA PRO A 49 -2.288 -9.144 -8.598 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.211 -8.261 -11.230 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.073 -9.462 -10.655 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.623 -9.861 -12.208 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.067 -10.637 -12.430 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.108 -11.880 -11.124 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.435 -12.174 -10.696 1.00 0.00 H new ATOM 655 N ALA A 50 -3.862 -7.314 -8.578 1.00 0.00 N ATOM 656 CA ALA A 50 -4.859 -6.259 -8.445 1.00 0.00 C ATOM 657 C ALA A 50 -4.197 -4.899 -8.251 1.00 0.00 C ATOM 658 O ALA A 50 -3.406 -4.710 -7.328 1.00 0.00 O ATOM 659 CB ALA A 50 -5.796 -6.562 -7.284 1.00 0.00 C ATOM 0 H ALA A 50 -3.053 -7.209 -7.966 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.439 -6.223 -9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.536 -5.766 -7.196 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.303 -7.510 -7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.221 -6.627 -6.360 1.00 0.00 H new ATOM 665 N GLU A 51 -4.525 -3.956 -9.129 1.00 0.00 N ATOM 666 CA GLU A 51 -3.960 -2.614 -9.054 1.00 0.00 C ATOM 667 C GLU A 51 -5.047 -1.556 -9.217 1.00 0.00 C ATOM 668 O GLU A 51 -6.219 -1.879 -9.413 1.00 0.00 O ATOM 669 CB GLU A 51 -2.886 -2.428 -10.129 1.00 0.00 C ATOM 670 CG GLU A 51 -3.315 -2.906 -11.506 1.00 0.00 C ATOM 671 CD GLU A 51 -2.291 -2.588 -12.579 1.00 0.00 C ATOM 672 OE1 GLU A 51 -1.112 -2.961 -12.401 1.00 0.00 O ATOM 673 OE2 GLU A 51 -2.668 -1.968 -13.594 1.00 0.00 O ATOM 0 H GLU A 51 -5.178 -4.097 -9.900 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.505 -2.494 -8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.620 -1.372 -10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.987 -2.967 -9.830 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.483 -3.983 -11.477 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.266 -2.442 -11.768 1.00 0.00 H new ATOM 680 N PHE A 52 -4.650 -0.290 -9.134 1.00 0.00 N ATOM 681 CA PHE A 52 -5.589 0.816 -9.271 1.00 0.00 C ATOM 682 C PHE A 52 -4.914 2.029 -9.905 1.00 0.00 C ATOM 683 O PHE A 52 -3.719 2.004 -10.202 1.00 0.00 O ATOM 684 CB PHE A 52 -6.166 1.195 -7.905 1.00 0.00 C ATOM 685 CG PHE A 52 -5.169 1.095 -6.786 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.687 -0.138 -6.378 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.716 2.235 -6.140 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.770 -0.234 -5.348 1.00 0.00 C ATOM 689 CE2 PHE A 52 -3.799 2.145 -5.110 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.326 0.910 -4.713 1.00 0.00 C ATOM 0 H PHE A 52 -3.684 -0.005 -8.972 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.400 0.492 -9.923 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.548 2.215 -7.951 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.014 0.547 -7.685 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.032 -1.035 -6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.084 3.204 -6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.401 -1.201 -5.040 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.452 3.040 -4.616 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.610 0.838 -3.907 1.00 0.00 H new ATOM 700 N THR A 53 -5.687 3.090 -10.110 1.00 0.00 N ATOM 701 CA THR A 53 -5.165 4.312 -10.710 1.00 0.00 C ATOM 702 C THR A 53 -5.062 5.430 -9.678 1.00 0.00 C ATOM 703 O THR A 53 -6.055 5.806 -9.055 1.00 0.00 O ATOM 704 CB THR A 53 -6.050 4.787 -11.878 1.00 0.00 C ATOM 705 OG1 THR A 53 -6.336 3.690 -12.753 1.00 0.00 O ATOM 706 CG2 THR A 53 -5.366 5.900 -12.657 1.00 0.00 C ATOM 0 H THR A 53 -6.677 3.128 -9.869 1.00 0.00 H new ATOM 0 HA THR A 53 -4.170 4.078 -11.090 1.00 0.00 H new ATOM 0 HB THR A 53 -6.982 5.174 -11.466 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.900 4.000 -13.492 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.010 6.219 -13.477 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.177 6.745 -11.994 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.421 5.535 -13.059 1.00 0.00 H new ATOM 714 N ILE A 54 -3.855 5.957 -9.504 1.00 0.00 N ATOM 715 CA ILE A 54 -3.623 7.034 -8.549 1.00 0.00 C ATOM 716 C ILE A 54 -3.403 8.364 -9.263 1.00 0.00 C ATOM 717 O ILE A 54 -2.735 8.423 -10.295 1.00 0.00 O ATOM 718 CB ILE A 54 -2.407 6.738 -7.652 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.662 5.490 -6.805 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.102 7.935 -6.763 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.470 5.070 -5.973 1.00 0.00 C ATOM 0 H ILE A 54 -3.023 5.656 -10.011 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.515 7.102 -7.927 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.541 6.551 -8.288 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.509 5.676 -6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.945 4.667 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.240 7.711 -6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.882 8.803 -7.384 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.965 8.149 -6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.723 4.179 -5.399 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.627 4.852 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.200 5.876 -5.291 1.00 0.00 H new ATOM 733 N ASP A 55 -3.969 9.428 -8.705 1.00 0.00 N ATOM 734 CA ASP A 55 -3.832 10.759 -9.286 1.00 0.00 C ATOM 735 C ASP A 55 -3.044 11.679 -8.359 1.00 0.00 C ATOM 736 O ASP A 55 -3.598 12.262 -7.426 1.00 0.00 O ATOM 737 CB ASP A 55 -5.210 11.359 -9.569 1.00 0.00 C ATOM 738 CG ASP A 55 -5.180 12.372 -10.697 1.00 0.00 C ATOM 739 OD1 ASP A 55 -4.523 13.421 -10.535 1.00 0.00 O ATOM 740 OD2 ASP A 55 -5.814 12.114 -11.741 1.00 0.00 O ATOM 0 H ASP A 55 -4.527 9.395 -7.852 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.285 10.664 -10.224 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.906 10.559 -9.821 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.587 11.837 -8.665 1.00 0.00 H new ATOM 745 N THR A 56 -1.746 11.803 -8.620 1.00 0.00 N ATOM 746 CA THR A 56 -0.881 12.649 -7.808 1.00 0.00 C ATOM 747 C THR A 56 -0.345 13.825 -8.617 1.00 0.00 C ATOM 748 O THR A 56 0.710 14.378 -8.306 1.00 0.00 O ATOM 749 CB THR A 56 0.306 11.853 -7.235 1.00 0.00 C ATOM 750 OG1 THR A 56 0.689 10.818 -8.148 1.00 0.00 O ATOM 751 CG2 THR A 56 -0.052 11.241 -5.889 1.00 0.00 C ATOM 0 H THR A 56 -1.271 11.328 -9.388 1.00 0.00 H new ATOM 0 HA THR A 56 -1.489 13.024 -6.985 1.00 0.00 H new ATOM 0 HB THR A 56 1.141 12.540 -7.094 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.446 10.318 -7.777 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.802 10.684 -5.504 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.315 12.033 -5.188 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.900 10.567 -6.010 1.00 0.00 H new ATOM 759 N LYS A 57 -1.079 14.204 -9.658 1.00 0.00 N ATOM 760 CA LYS A 57 -0.680 15.316 -10.512 1.00 0.00 C ATOM 761 C LYS A 57 -0.869 16.649 -9.795 1.00 0.00 C ATOM 762 O LYS A 57 0.051 17.462 -9.722 1.00 0.00 O ATOM 763 CB LYS A 57 -1.489 15.305 -11.811 1.00 0.00 C ATOM 764 CG LYS A 57 -1.390 13.998 -12.578 1.00 0.00 C ATOM 765 CD LYS A 57 -2.490 13.878 -13.620 1.00 0.00 C ATOM 766 CE LYS A 57 -2.195 12.767 -14.616 1.00 0.00 C ATOM 767 NZ LYS A 57 -3.244 12.673 -15.669 1.00 0.00 N ATOM 0 H LYS A 57 -1.954 13.757 -9.930 1.00 0.00 H new ATOM 0 HA LYS A 57 0.377 15.197 -10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.536 15.502 -11.579 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.146 16.118 -12.450 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.417 13.934 -13.066 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.454 13.161 -11.882 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.441 13.682 -13.125 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.596 14.825 -14.150 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.227 12.946 -15.083 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.124 11.816 -14.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.006 11.904 -16.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.164 12.477 -15.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.295 13.572 -16.190 1.00 0.00 H new ATOM 781 N GLY A 58 -2.069 16.865 -9.264 1.00 0.00 N ATOM 782 CA GLY A 58 -2.356 18.100 -8.557 1.00 0.00 C ATOM 783 C GLY A 58 -2.198 17.959 -7.056 1.00 0.00 C ATOM 784 O GLY A 58 -2.947 18.561 -6.288 1.00 0.00 O ATOM 0 H GLY A 58 -2.847 16.207 -9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.690 18.884 -8.917 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.374 18.417 -8.784 1.00 0.00 H new ATOM 788 N ALA A 59 -1.221 17.161 -6.638 1.00 0.00 N ATOM 789 CA ALA A 59 -0.967 16.944 -5.219 1.00 0.00 C ATOM 790 C ALA A 59 0.383 17.520 -4.808 1.00 0.00 C ATOM 791 O ALA A 59 0.500 18.180 -3.777 1.00 0.00 O ATOM 792 CB ALA A 59 -1.031 15.459 -4.893 1.00 0.00 C ATOM 0 H ALA A 59 -0.593 16.654 -7.262 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.741 17.463 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.839 15.311 -3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.021 15.075 -5.140 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.279 14.926 -5.475 1.00 0.00 H new ATOM 798 N GLY A 60 1.403 17.265 -5.623 1.00 0.00 N ATOM 799 CA GLY A 60 2.732 17.766 -5.326 1.00 0.00 C ATOM 800 C GLY A 60 3.783 16.674 -5.356 1.00 0.00 C ATOM 801 O GLY A 60 3.750 15.792 -6.215 1.00 0.00 O ATOM 0 H GLY A 60 1.332 16.721 -6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.995 18.539 -6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.729 18.236 -4.342 1.00 0.00 H new ATOM 805 N THR A 61 4.722 16.731 -4.416 1.00 0.00 N ATOM 806 CA THR A 61 5.789 15.742 -4.340 1.00 0.00 C ATOM 807 C THR A 61 6.178 15.464 -2.893 1.00 0.00 C ATOM 808 O THR A 61 5.849 16.234 -1.992 1.00 0.00 O ATOM 809 CB THR A 61 7.037 16.200 -5.116 1.00 0.00 C ATOM 810 OG1 THR A 61 7.986 15.130 -5.196 1.00 0.00 O ATOM 811 CG2 THR A 61 7.680 17.405 -4.445 1.00 0.00 C ATOM 0 H THR A 61 4.764 17.453 -3.696 1.00 0.00 H new ATOM 0 HA THR A 61 5.405 14.828 -4.793 1.00 0.00 H new ATOM 0 HB THR A 61 6.727 16.486 -6.121 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.776 15.430 -5.693 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.560 17.710 -5.011 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.966 18.228 -4.413 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.976 17.141 -3.430 1.00 0.00 H new ATOM 819 N GLY A 62 6.883 14.357 -2.676 1.00 0.00 N ATOM 820 CA GLY A 62 7.306 13.997 -1.335 1.00 0.00 C ATOM 821 C GLY A 62 7.578 12.513 -1.191 1.00 0.00 C ATOM 822 O GLY A 62 8.493 11.979 -1.817 1.00 0.00 O ATOM 0 H GLY A 62 7.169 13.703 -3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.207 14.555 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.536 14.293 -0.623 1.00 0.00 H new ATOM 826 N GLY A 63 6.781 11.844 -0.363 1.00 0.00 N ATOM 827 CA GLY A 63 6.958 10.419 -0.152 1.00 0.00 C ATOM 828 C GLY A 63 5.678 9.734 0.283 1.00 0.00 C ATOM 829 O GLY A 63 5.201 9.944 1.399 1.00 0.00 O ATOM 0 H GLY A 63 6.016 12.264 0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.317 9.960 -1.073 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.727 10.260 0.604 1.00 0.00 H new ATOM 833 N LEU A 64 5.118 8.915 -0.600 1.00 0.00 N ATOM 834 CA LEU A 64 3.883 8.197 -0.302 1.00 0.00 C ATOM 835 C LEU A 64 4.180 6.837 0.320 1.00 0.00 C ATOM 836 O LEU A 64 5.006 6.078 -0.187 1.00 0.00 O ATOM 837 CB LEU A 64 3.053 8.019 -1.574 1.00 0.00 C ATOM 838 CG LEU A 64 1.729 7.272 -1.413 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.643 8.211 -0.912 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.316 6.630 -2.730 1.00 0.00 C ATOM 0 H LEU A 64 5.499 8.731 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 64 3.313 8.787 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.843 9.005 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.659 7.488 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 64 1.867 6.483 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.292 7.661 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.936 8.623 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.506 9.023 -1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.371 6.102 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.196 7.403 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.084 5.925 -3.048 1.00 0.00 H new ATOM 852 N GLY A 65 3.500 6.533 1.421 1.00 0.00 N ATOM 853 CA GLY A 65 3.704 5.263 2.093 1.00 0.00 C ATOM 854 C GLY A 65 2.538 4.313 1.903 1.00 0.00 C ATOM 855 O GLY A 65 1.430 4.575 2.373 1.00 0.00 O ATOM 0 H GLY A 65 2.811 7.144 1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.614 4.797 1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.855 5.439 3.158 1.00 0.00 H new ATOM 859 N LEU A 66 2.785 3.206 1.210 1.00 0.00 N ATOM 860 CA LEU A 66 1.746 2.214 0.957 1.00 0.00 C ATOM 861 C LEU A 66 2.009 0.936 1.748 1.00 0.00 C ATOM 862 O LEU A 66 3.030 0.275 1.559 1.00 0.00 O ATOM 863 CB LEU A 66 1.670 1.896 -0.537 1.00 0.00 C ATOM 864 CG LEU A 66 0.359 1.279 -1.026 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.725 2.341 -1.129 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.562 0.590 -2.368 1.00 0.00 C ATOM 0 H LEU A 66 3.696 2.973 0.814 1.00 0.00 H new ATOM 0 HA LEU A 66 0.793 2.631 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.845 2.817 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.484 1.215 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 66 0.039 0.531 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.651 1.883 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.889 2.789 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.413 3.112 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.381 0.157 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.906 1.318 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.307 -0.199 -2.263 1.00 0.00 H new ATOM 878 N THR A 67 1.079 0.593 2.634 1.00 0.00 N ATOM 879 CA THR A 67 1.210 -0.606 3.453 1.00 0.00 C ATOM 880 C THR A 67 -0.112 -1.360 3.538 1.00 0.00 C ATOM 881 O THR A 67 -1.144 -0.787 3.891 1.00 0.00 O ATOM 882 CB THR A 67 1.685 -0.264 4.878 1.00 0.00 C ATOM 883 OG1 THR A 67 0.963 0.868 5.377 1.00 0.00 O ATOM 884 CG2 THR A 67 3.177 0.033 4.894 1.00 0.00 C ATOM 0 H THR A 67 0.227 1.128 2.803 1.00 0.00 H new ATOM 0 HA THR A 67 1.956 -1.238 2.971 1.00 0.00 H new ATOM 0 HB THR A 67 1.495 -1.126 5.517 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.267 0.565 5.996 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.490 0.272 5.911 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.726 -0.840 4.541 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.386 0.881 4.242 1.00 0.00 H new ATOM 892 N VAL A 68 -0.075 -2.648 3.214 1.00 0.00 N ATOM 893 CA VAL A 68 -1.271 -3.482 3.255 1.00 0.00 C ATOM 894 C VAL A 68 -1.481 -4.072 4.645 1.00 0.00 C ATOM 895 O VAL A 68 -0.680 -4.879 5.115 1.00 0.00 O ATOM 896 CB VAL A 68 -1.191 -4.629 2.230 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.398 -5.545 2.359 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.083 -4.073 0.818 1.00 0.00 C ATOM 0 H VAL A 68 0.770 -3.137 2.920 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.114 -2.839 3.004 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.296 -5.216 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.324 -6.349 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.427 -5.969 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.309 -4.974 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.027 -4.896 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.959 -3.463 0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.185 -3.461 0.736 1.00 0.00 H new ATOM 908 N GLU A 69 -2.565 -3.663 5.298 1.00 0.00 N ATOM 909 CA GLU A 69 -2.881 -4.151 6.635 1.00 0.00 C ATOM 910 C GLU A 69 -3.802 -5.366 6.567 1.00 0.00 C ATOM 911 O GLU A 69 -4.614 -5.594 7.463 1.00 0.00 O ATOM 912 CB GLU A 69 -3.537 -3.046 7.464 1.00 0.00 C ATOM 913 CG GLU A 69 -2.545 -2.203 8.249 1.00 0.00 C ATOM 914 CD GLU A 69 -3.133 -1.658 9.536 1.00 0.00 C ATOM 915 OE1 GLU A 69 -4.342 -1.346 9.552 1.00 0.00 O ATOM 916 OE2 GLU A 69 -2.383 -1.544 10.528 1.00 0.00 O ATOM 0 H GLU A 69 -3.238 -2.995 4.923 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.949 -4.449 7.114 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.108 -2.396 6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.247 -3.497 8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.666 -2.805 8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.208 -1.373 7.628 1.00 0.00 H new ATOM 923 N GLY A 70 -3.668 -6.144 5.497 1.00 0.00 N ATOM 924 CA GLY A 70 -4.495 -7.325 5.331 1.00 0.00 C ATOM 925 C GLY A 70 -4.238 -8.367 6.401 1.00 0.00 C ATOM 926 O GLY A 70 -3.360 -8.213 7.250 1.00 0.00 O ATOM 0 H GLY A 70 -3.002 -5.978 4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.546 -7.035 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.307 -7.762 4.350 1.00 0.00 H new ATOM 930 N PRO A 71 -5.018 -9.458 6.370 1.00 0.00 N ATOM 931 CA PRO A 71 -4.890 -10.551 7.338 1.00 0.00 C ATOM 932 C PRO A 71 -3.603 -11.346 7.149 1.00 0.00 C ATOM 933 O PRO A 71 -3.194 -12.102 8.031 1.00 0.00 O ATOM 934 CB PRO A 71 -6.109 -11.429 7.045 1.00 0.00 C ATOM 935 CG PRO A 71 -6.443 -11.150 5.620 1.00 0.00 C ATOM 936 CD PRO A 71 -6.084 -9.709 5.385 1.00 0.00 C ATOM 0 HA PRO A 71 -4.848 -10.184 8.363 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.883 -12.484 7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.942 -11.182 7.703 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.883 -11.805 4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.501 -11.325 5.426 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.736 -9.543 4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.939 -9.051 5.542 1.00 0.00 H new ATOM 944 N CYS A 72 -2.969 -11.170 5.995 1.00 0.00 N ATOM 945 CA CYS A 72 -1.727 -11.872 5.690 1.00 0.00 C ATOM 946 C CYS A 72 -0.742 -10.950 4.980 1.00 0.00 C ATOM 947 O CYS A 72 -1.070 -9.810 4.651 1.00 0.00 O ATOM 948 CB CYS A 72 -2.010 -13.100 4.824 1.00 0.00 C ATOM 949 SG CYS A 72 -0.808 -14.436 5.020 1.00 0.00 S ATOM 0 H CYS A 72 -3.294 -10.548 5.255 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.281 -12.195 6.631 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.002 -13.481 5.066 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.031 -12.796 3.778 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.243 -15.503 4.418 1.00 0.00 H new ATOM 955 N GLU A 73 0.468 -11.451 4.748 1.00 0.00 N ATOM 956 CA GLU A 73 1.502 -10.670 4.078 1.00 0.00 C ATOM 957 C GLU A 73 1.351 -10.753 2.562 1.00 0.00 C ATOM 958 O GLU A 73 1.599 -11.797 1.959 1.00 0.00 O ATOM 959 CB GLU A 73 2.891 -11.161 4.491 1.00 0.00 C ATOM 960 CG GLU A 73 4.017 -10.241 4.053 1.00 0.00 C ATOM 961 CD GLU A 73 5.389 -10.804 4.372 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.528 -12.044 4.407 1.00 0.00 O ATOM 963 OE2 GLU A 73 6.322 -10.003 4.588 1.00 0.00 O ATOM 0 H GLU A 73 0.756 -12.393 5.014 1.00 0.00 H new ATOM 0 HA GLU A 73 1.388 -9.629 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.922 -11.268 5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.057 -12.152 4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.941 -10.066 2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.902 -9.274 4.543 1.00 0.00 H new ATOM 970 N ALA A 74 0.941 -9.646 1.952 1.00 0.00 N ATOM 971 CA ALA A 74 0.758 -9.592 0.507 1.00 0.00 C ATOM 972 C ALA A 74 1.813 -8.707 -0.147 1.00 0.00 C ATOM 973 O ALA A 74 2.150 -7.641 0.367 1.00 0.00 O ATOM 974 CB ALA A 74 -0.638 -9.090 0.170 1.00 0.00 C ATOM 0 H ALA A 74 0.729 -8.774 2.437 1.00 0.00 H new ATOM 0 HA ALA A 74 0.874 -10.602 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.761 -9.055 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.380 -9.764 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.775 -8.091 0.583 1.00 0.00 H new ATOM 980 N LYS A 75 2.332 -9.156 -1.285 1.00 0.00 N ATOM 981 CA LYS A 75 3.349 -8.405 -2.012 1.00 0.00 C ATOM 982 C LYS A 75 2.762 -7.129 -2.606 1.00 0.00 C ATOM 983 O LYS A 75 1.561 -7.048 -2.863 1.00 0.00 O ATOM 984 CB LYS A 75 3.952 -9.267 -3.123 1.00 0.00 C ATOM 985 CG LYS A 75 5.369 -8.872 -3.499 1.00 0.00 C ATOM 986 CD LYS A 75 6.102 -10.011 -4.188 1.00 0.00 C ATOM 987 CE LYS A 75 7.137 -9.491 -5.174 1.00 0.00 C ATOM 988 NZ LYS A 75 7.635 -10.568 -6.074 1.00 0.00 N ATOM 0 H LYS A 75 2.065 -10.037 -1.724 1.00 0.00 H new ATOM 0 HA LYS A 75 4.134 -8.129 -1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.947 -10.310 -2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.318 -9.200 -4.007 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.343 -8.004 -4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.915 -8.576 -2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.591 -10.635 -3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.385 -10.643 -4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.700 -8.691 -5.772 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.975 -9.058 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.338 -10.174 -6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.075 -11.320 -5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.840 -10.964 -6.615 1.00 0.00 H new ATOM 1002 N ILE A 76 3.617 -6.135 -2.822 1.00 0.00 N ATOM 1003 CA ILE A 76 3.183 -4.864 -3.388 1.00 0.00 C ATOM 1004 C ILE A 76 4.169 -4.365 -4.439 1.00 0.00 C ATOM 1005 O ILE A 76 5.292 -3.980 -4.116 1.00 0.00 O ATOM 1006 CB ILE A 76 3.022 -3.788 -2.298 1.00 0.00 C ATOM 1007 CG1 ILE A 76 2.100 -4.291 -1.186 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.481 -2.500 -2.901 1.00 0.00 C ATOM 1009 CD1 ILE A 76 2.159 -3.455 0.073 1.00 0.00 C ATOM 0 H ILE A 76 4.614 -6.185 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 76 2.215 -5.041 -3.857 1.00 0.00 H new ATOM 0 HB ILE A 76 4.001 -3.580 -1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.074 -4.306 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.366 -5.320 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.373 -1.749 -2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.173 -2.135 -3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.510 -2.692 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.480 -3.870 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.176 -3.460 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.864 -2.431 -0.156 1.00 0.00 H new ATOM 1021 N GLU A 77 3.739 -4.372 -5.697 1.00 0.00 N ATOM 1022 CA GLU A 77 4.585 -3.918 -6.795 1.00 0.00 C ATOM 1023 C GLU A 77 4.189 -2.514 -7.242 1.00 0.00 C ATOM 1024 O GLU A 77 3.207 -2.335 -7.963 1.00 0.00 O ATOM 1025 CB GLU A 77 4.490 -4.887 -7.975 1.00 0.00 C ATOM 1026 CG GLU A 77 4.971 -6.291 -7.650 1.00 0.00 C ATOM 1027 CD GLU A 77 4.790 -7.253 -8.808 1.00 0.00 C ATOM 1028 OE1 GLU A 77 5.337 -6.981 -9.897 1.00 0.00 O ATOM 1029 OE2 GLU A 77 4.101 -8.278 -8.625 1.00 0.00 O ATOM 0 H GLU A 77 2.811 -4.687 -5.981 1.00 0.00 H new ATOM 0 HA GLU A 77 5.615 -3.890 -6.439 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.454 -4.936 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.077 -4.494 -8.805 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.025 -6.255 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.427 -6.666 -6.783 1.00 0.00 H new ATOM 1036 N CYS A 78 4.959 -1.523 -6.809 1.00 0.00 N ATOM 1037 CA CYS A 78 4.689 -0.134 -7.163 1.00 0.00 C ATOM 1038 C CYS A 78 5.509 0.287 -8.379 1.00 0.00 C ATOM 1039 O CYS A 78 6.737 0.211 -8.368 1.00 0.00 O ATOM 1040 CB CYS A 78 4.999 0.786 -5.981 1.00 0.00 C ATOM 1041 SG CYS A 78 6.728 0.751 -5.453 1.00 0.00 S ATOM 0 H CYS A 78 5.776 -1.655 -6.212 1.00 0.00 H new ATOM 0 HA CYS A 78 3.631 -0.048 -7.413 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.733 1.808 -6.250 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.367 0.504 -5.139 1.00 0.00 H new ATOM 0 HG CYS A 78 7.489 0.501 -6.477 1.00 0.00 H new ATOM 1047 N SER A 79 4.820 0.729 -9.426 1.00 0.00 N ATOM 1048 CA SER A 79 5.484 1.157 -10.652 1.00 0.00 C ATOM 1049 C SER A 79 4.871 2.450 -11.179 1.00 0.00 C ATOM 1050 O SER A 79 3.657 2.548 -11.357 1.00 0.00 O ATOM 1051 CB SER A 79 5.388 0.063 -11.717 1.00 0.00 C ATOM 1052 OG SER A 79 6.328 0.278 -12.756 1.00 0.00 O ATOM 0 H SER A 79 3.803 0.800 -9.450 1.00 0.00 H new ATOM 0 HA SER A 79 6.534 1.340 -10.422 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.564 -0.911 -11.259 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.380 0.043 -12.132 1.00 0.00 H new ATOM 0 HG SER A 79 6.247 -0.436 -13.423 1.00 0.00 H new ATOM 1058 N ASP A 80 5.720 3.442 -11.427 1.00 0.00 N ATOM 1059 CA ASP A 80 5.263 4.730 -11.935 1.00 0.00 C ATOM 1060 C ASP A 80 5.135 4.701 -13.455 1.00 0.00 C ATOM 1061 O ASP A 80 5.810 3.925 -14.130 1.00 0.00 O ATOM 1062 CB ASP A 80 6.228 5.839 -11.514 1.00 0.00 C ATOM 1063 CG ASP A 80 7.649 5.578 -11.976 1.00 0.00 C ATOM 1064 OD1 ASP A 80 8.097 4.415 -11.888 1.00 0.00 O ATOM 1065 OD2 ASP A 80 8.311 6.535 -12.425 1.00 0.00 O ATOM 0 H ASP A 80 6.728 3.378 -11.284 1.00 0.00 H new ATOM 0 HA ASP A 80 4.280 4.932 -11.509 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.885 6.789 -11.923 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.214 5.936 -10.428 1.00 0.00 H new ATOM 1070 N ASN A 81 4.263 5.551 -13.987 1.00 0.00 N ATOM 1071 CA ASN A 81 4.045 5.622 -15.427 1.00 0.00 C ATOM 1072 C ASN A 81 4.996 6.625 -16.073 1.00 0.00 C ATOM 1073 O ASN A 81 5.568 6.362 -17.130 1.00 0.00 O ATOM 1074 CB ASN A 81 2.596 6.010 -15.726 1.00 0.00 C ATOM 1075 CG ASN A 81 1.616 4.910 -15.367 1.00 0.00 C ATOM 1076 OD1 ASN A 81 1.130 4.188 -16.238 1.00 0.00 O ATOM 1077 ND2 ASN A 81 1.322 4.777 -14.079 1.00 0.00 N ATOM 0 H ASN A 81 3.696 6.200 -13.442 1.00 0.00 H new ATOM 0 HA ASN A 81 4.244 4.637 -15.848 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.343 6.913 -15.171 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.498 6.249 -16.785 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.669 4.054 -13.777 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.749 5.398 -13.392 1.00 0.00 H new ATOM 1084 N GLY A 82 5.160 7.776 -15.429 1.00 0.00 N ATOM 1085 CA GLY A 82 6.043 8.801 -15.954 1.00 0.00 C ATOM 1086 C GLY A 82 5.289 10.026 -16.432 1.00 0.00 C ATOM 1087 O GLY A 82 5.868 11.103 -16.577 1.00 0.00 O ATOM 0 H GLY A 82 4.697 8.017 -14.553 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.754 9.094 -15.182 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.622 8.389 -16.781 1.00 0.00 H new ATOM 1091 N ASP A 83 3.993 9.863 -16.678 1.00 0.00 N ATOM 1092 CA ASP A 83 3.159 10.965 -17.143 1.00 0.00 C ATOM 1093 C ASP A 83 2.524 11.699 -15.966 1.00 0.00 C ATOM 1094 O ASP A 83 2.105 12.849 -16.092 1.00 0.00 O ATOM 1095 CB ASP A 83 2.070 10.446 -18.084 1.00 0.00 C ATOM 1096 CG ASP A 83 2.560 10.301 -19.511 1.00 0.00 C ATOM 1097 OD1 ASP A 83 3.328 11.175 -19.967 1.00 0.00 O ATOM 1098 OD2 ASP A 83 2.176 9.314 -20.173 1.00 0.00 O ATOM 0 H ASP A 83 3.498 8.979 -16.563 1.00 0.00 H new ATOM 0 HA ASP A 83 3.794 11.666 -17.686 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.714 9.480 -17.725 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.220 11.128 -18.062 1.00 0.00 H new ATOM 1103 N GLY A 84 2.454 11.025 -14.822 1.00 0.00 N ATOM 1104 CA GLY A 84 1.867 11.629 -13.640 1.00 0.00 C ATOM 1105 C GLY A 84 0.902 10.699 -12.932 1.00 0.00 C ATOM 1106 O GLY A 84 -0.045 11.148 -12.286 1.00 0.00 O ATOM 0 H GLY A 84 2.793 10.072 -14.693 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.661 11.917 -12.951 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.344 12.542 -13.924 1.00 0.00 H new ATOM 1110 N THR A 85 1.141 9.397 -13.054 1.00 0.00 N ATOM 1111 CA THR A 85 0.285 8.400 -12.423 1.00 0.00 C ATOM 1112 C THR A 85 1.108 7.256 -11.843 1.00 0.00 C ATOM 1113 O THR A 85 2.292 7.114 -12.148 1.00 0.00 O ATOM 1114 CB THR A 85 -0.739 7.827 -13.421 1.00 0.00 C ATOM 1115 OG1 THR A 85 -0.085 7.471 -14.644 1.00 0.00 O ATOM 1116 CG2 THR A 85 -1.842 8.835 -13.705 1.00 0.00 C ATOM 0 H THR A 85 1.921 9.008 -13.584 1.00 0.00 H new ATOM 0 HA THR A 85 -0.247 8.905 -11.617 1.00 0.00 H new ATOM 0 HB THR A 85 -1.187 6.938 -12.977 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.743 7.106 -15.272 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.553 8.407 -14.412 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.358 9.081 -12.777 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.407 9.740 -14.130 1.00 0.00 H new ATOM 1124 N CYS A 86 0.473 6.443 -11.006 1.00 0.00 N ATOM 1125 CA CYS A 86 1.148 5.310 -10.382 1.00 0.00 C ATOM 1126 C CYS A 86 0.277 4.059 -10.441 1.00 0.00 C ATOM 1127 O CYS A 86 -0.894 4.087 -10.064 1.00 0.00 O ATOM 1128 CB CYS A 86 1.497 5.634 -8.929 1.00 0.00 C ATOM 1129 SG CYS A 86 2.640 7.022 -8.737 1.00 0.00 S ATOM 0 H CYS A 86 -0.507 6.547 -10.744 1.00 0.00 H new ATOM 0 HA CYS A 86 2.068 5.118 -10.935 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.578 5.856 -8.387 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.935 4.750 -8.466 1.00 0.00 H new ATOM 0 HG CYS A 86 2.873 7.221 -7.474 1.00 0.00 H new ATOM 1135 N SER A 87 0.857 2.962 -10.919 1.00 0.00 N ATOM 1136 CA SER A 87 0.133 1.702 -11.033 1.00 0.00 C ATOM 1137 C SER A 87 0.697 0.662 -10.071 1.00 0.00 C ATOM 1138 O SER A 87 1.650 -0.048 -10.393 1.00 0.00 O ATOM 1139 CB SER A 87 0.204 1.177 -12.469 1.00 0.00 C ATOM 1140 OG SER A 87 -0.750 1.821 -13.295 1.00 0.00 O ATOM 0 H SER A 87 1.826 2.921 -11.233 1.00 0.00 H new ATOM 0 HA SER A 87 -0.909 1.885 -10.771 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.205 1.339 -12.870 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.028 0.101 -12.475 1.00 0.00 H new ATOM 0 HG SER A 87 -0.683 1.469 -14.207 1.00 0.00 H new ATOM 1146 N VAL A 88 0.101 0.577 -8.885 1.00 0.00 N ATOM 1147 CA VAL A 88 0.543 -0.376 -7.874 1.00 0.00 C ATOM 1148 C VAL A 88 -0.274 -1.662 -7.938 1.00 0.00 C ATOM 1149 O VAL A 88 -1.497 -1.640 -7.799 1.00 0.00 O ATOM 1150 CB VAL A 88 0.435 0.218 -6.457 1.00 0.00 C ATOM 1151 CG1 VAL A 88 0.886 -0.796 -5.417 1.00 0.00 C ATOM 1152 CG2 VAL A 88 1.249 1.499 -6.354 1.00 0.00 C ATOM 0 H VAL A 88 -0.689 1.157 -8.601 1.00 0.00 H new ATOM 0 HA VAL A 88 1.588 -0.601 -8.086 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.609 0.462 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.803 -0.358 -4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.256 -1.683 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.923 -1.074 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.162 1.906 -5.346 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.296 1.283 -6.569 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.874 2.227 -7.073 1.00 0.00 H new ATOM 1162 N SER A 89 0.410 -2.782 -8.148 1.00 0.00 N ATOM 1163 CA SER A 89 -0.252 -4.078 -8.233 1.00 0.00 C ATOM 1164 C SER A 89 0.157 -4.975 -7.068 1.00 0.00 C ATOM 1165 O SER A 89 1.344 -5.147 -6.790 1.00 0.00 O ATOM 1166 CB SER A 89 0.085 -4.760 -9.560 1.00 0.00 C ATOM 1167 OG SER A 89 1.480 -4.731 -9.809 1.00 0.00 O ATOM 0 H SER A 89 1.423 -2.818 -8.262 1.00 0.00 H new ATOM 0 HA SER A 89 -1.328 -3.913 -8.181 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.263 -5.793 -9.540 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.443 -4.262 -10.373 1.00 0.00 H new ATOM 0 HG SER A 89 1.669 -5.175 -10.662 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.834 -5.543 -6.391 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.579 -6.421 -5.255 1.00 0.00 C ATOM 1175 C TYR A 90 -1.138 -7.818 -5.509 1.00 0.00 C ATOM 1176 O TYR A 90 -1.908 -8.030 -6.446 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.196 -5.836 -3.983 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.707 -5.864 -3.976 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.399 -6.991 -3.549 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.444 -4.763 -4.394 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.780 -7.022 -3.541 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.826 -4.784 -4.388 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.489 -5.915 -3.961 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.865 -5.941 -3.953 1.00 0.00 O ATOM 0 H TYR A 90 -1.822 -5.411 -6.609 1.00 0.00 H new ATOM 0 HA TYR A 90 0.500 -6.500 -5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.827 -6.392 -3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.859 -4.806 -3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.847 -7.858 -3.217 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.928 -3.875 -4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.302 -7.907 -3.208 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.384 -3.919 -4.716 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.210 -5.042 -4.134 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.744 -8.767 -4.667 1.00 0.00 N ATOM 1195 CA LEU A 91 -1.206 -10.145 -4.798 1.00 0.00 C ATOM 1196 C LEU A 91 -1.577 -10.726 -3.437 1.00 0.00 C ATOM 1197 O LEU A 91 -0.717 -11.057 -2.621 1.00 0.00 O ATOM 1198 CB LEU A 91 -0.125 -11.005 -5.455 1.00 0.00 C ATOM 1199 CG LEU A 91 -0.189 -11.114 -6.979 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.204 -11.305 -7.559 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -1.103 -12.257 -7.394 1.00 0.00 C ATOM 0 H LEU A 91 -0.106 -8.608 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.096 -10.146 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.849 -10.601 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.183 -12.010 -5.036 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.600 -10.185 -7.374 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.139 -11.381 -8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.829 -10.453 -7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.643 -12.218 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.136 -12.320 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.721 -13.194 -6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.107 -12.078 -7.010 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.888 -10.856 -3.187 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.403 -11.401 -1.927 1.00 0.00 C ATOM 1215 C PRO A 92 -3.128 -12.894 -1.786 1.00 0.00 C ATOM 1216 O PRO A 92 -2.963 -13.603 -2.779 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.908 -11.141 -2.017 1.00 0.00 C ATOM 1218 CG PRO A 92 -5.195 -11.076 -3.478 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.969 -10.482 -4.114 1.00 0.00 C ATOM 0 HA PRO A 92 -2.928 -10.942 -1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.477 -11.937 -1.537 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.179 -10.210 -1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.402 -12.068 -3.880 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.074 -10.462 -3.676 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.799 -10.885 -5.113 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.054 -9.400 -4.217 1.00 0.00 H new ATOM 1227 N THR A 93 -3.080 -13.368 -0.544 1.00 0.00 N ATOM 1228 CA THR A 93 -2.824 -14.777 -0.273 1.00 0.00 C ATOM 1229 C THR A 93 -4.121 -15.525 0.013 1.00 0.00 C ATOM 1230 O THR A 93 -4.342 -16.623 -0.498 1.00 0.00 O ATOM 1231 CB THR A 93 -1.868 -14.954 0.921 1.00 0.00 C ATOM 1232 OG1 THR A 93 -2.433 -14.357 2.094 1.00 0.00 O ATOM 1233 CG2 THR A 93 -0.514 -14.326 0.629 1.00 0.00 C ATOM 0 H THR A 93 -3.215 -12.796 0.290 1.00 0.00 H new ATOM 0 HA THR A 93 -2.358 -15.192 -1.166 1.00 0.00 H new ATOM 0 HB THR A 93 -1.727 -16.022 1.089 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.895 -14.600 2.876 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.144 -14.464 1.487 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.073 -14.803 -0.247 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.641 -13.261 0.437 1.00 0.00 H new ATOM 1241 N LYS A 94 -4.977 -14.925 0.833 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.254 -15.534 1.186 1.00 0.00 C ATOM 1243 C LYS A 94 -7.411 -14.590 0.875 1.00 0.00 C ATOM 1244 O LYS A 94 -7.286 -13.368 0.954 1.00 0.00 O ATOM 1245 CB LYS A 94 -6.271 -15.907 2.670 1.00 0.00 C ATOM 1246 CG LYS A 94 -6.389 -14.709 3.597 1.00 0.00 C ATOM 1247 CD LYS A 94 -6.528 -15.139 5.048 1.00 0.00 C ATOM 1248 CE LYS A 94 -7.978 -15.421 5.409 1.00 0.00 C ATOM 1249 NZ LYS A 94 -8.671 -14.203 5.914 1.00 0.00 N ATOM 0 H LYS A 94 -4.809 -14.017 1.266 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.375 -16.438 0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.105 -16.584 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.358 -16.453 2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.509 -14.075 3.487 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.253 -14.109 3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.928 -16.032 5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.135 -14.358 5.699 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.503 -15.801 4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.018 -16.202 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.657 -14.437 6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.185 -13.855 6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.656 -13.466 5.181 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.566 -15.168 0.513 1.00 0.00 N ATOM 1264 CA PRO A 95 -9.769 -14.396 0.185 1.00 0.00 C ATOM 1265 C PRO A 95 -10.377 -13.721 1.409 1.00 0.00 C ATOM 1266 O PRO A 95 -11.037 -14.366 2.222 1.00 0.00 O ATOM 1267 CB PRO A 95 -10.726 -15.452 -0.374 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.279 -16.733 0.242 1.00 0.00 C ATOM 1269 CD PRO A 95 -8.788 -16.619 0.397 1.00 0.00 C ATOM 0 HA PRO A 95 -9.555 -13.584 -0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.760 -15.227 -0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.674 -15.497 -1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.761 -16.891 1.207 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.542 -17.582 -0.389 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.434 -17.151 1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.262 -17.039 -0.460 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.149 -12.417 1.535 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.681 -11.676 2.663 1.00 0.00 C ATOM 1279 C GLY A 96 -10.805 -10.193 2.377 1.00 0.00 C ATOM 1280 O GLY A 96 -11.632 -9.778 1.567 1.00 0.00 O ATOM 0 H GLY A 96 -9.605 -11.861 0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.661 -12.075 2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.034 -11.823 3.528 1.00 0.00 H new ATOM 1284 N GLU A 97 -9.980 -9.392 3.045 1.00 0.00 N ATOM 1285 CA GLU A 97 -10.003 -7.946 2.859 1.00 0.00 C ATOM 1286 C GLU A 97 -8.631 -7.339 3.140 1.00 0.00 C ATOM 1287 O GLU A 97 -8.004 -7.639 4.157 1.00 0.00 O ATOM 1288 CB GLU A 97 -11.051 -7.309 3.773 1.00 0.00 C ATOM 1289 CG GLU A 97 -10.721 -7.423 5.251 1.00 0.00 C ATOM 1290 CD GLU A 97 -10.804 -8.849 5.759 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -11.916 -9.416 5.759 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -9.755 -9.399 6.156 1.00 0.00 O ATOM 0 H GLU A 97 -9.288 -9.720 3.719 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.265 -7.743 1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.155 -6.256 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.016 -7.780 3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.717 -7.037 5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.407 -6.797 5.822 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.171 -6.486 2.232 1.00 0.00 N ATOM 1300 CA TYR A 98 -6.873 -5.839 2.380 1.00 0.00 C ATOM 1301 C TYR A 98 -7.025 -4.323 2.460 1.00 0.00 C ATOM 1302 O TYR A 98 -7.534 -3.689 1.535 1.00 0.00 O ATOM 1303 CB TYR A 98 -5.958 -6.210 1.211 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.700 -7.695 1.093 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.699 -8.562 0.669 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.457 -8.231 1.405 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.468 -9.920 0.559 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.216 -9.587 1.297 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.224 -10.427 0.874 1.00 0.00 C ATOM 1310 OH TYR A 98 -4.989 -11.779 0.767 1.00 0.00 O ATOM 0 H TYR A 98 -8.678 -6.226 1.386 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.425 -6.190 3.309 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.404 -5.852 0.283 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.006 -5.692 1.327 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.673 -8.168 0.421 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.665 -7.576 1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.256 -10.580 0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.243 -9.987 1.543 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.838 -12.264 0.827 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.580 -3.748 3.572 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.666 -2.307 3.775 1.00 0.00 C ATOM 1322 C PHE A 99 -5.389 -1.614 3.309 1.00 0.00 C ATOM 1323 O PHE A 99 -4.353 -1.685 3.971 1.00 0.00 O ATOM 1324 CB PHE A 99 -6.921 -1.992 5.251 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.273 -2.432 5.733 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.562 -3.777 5.895 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -9.256 -1.500 6.024 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -9.806 -4.185 6.337 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.502 -1.901 6.468 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.777 -3.245 6.626 1.00 0.00 C ATOM 0 H PHE A 99 -6.156 -4.258 4.347 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.499 -1.932 3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.154 -2.476 5.855 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.820 -0.918 5.408 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.806 -4.516 5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.046 -0.448 5.902 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.019 -5.237 6.456 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.259 -1.164 6.691 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.749 -3.561 6.975 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.470 -0.945 2.163 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.322 -0.239 1.607 1.00 0.00 C ATOM 1342 C VAL A 100 -4.137 1.120 2.273 1.00 0.00 C ATOM 1343 O VAL A 100 -4.925 2.040 2.058 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.469 -0.038 0.087 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.222 0.617 -0.488 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -4.749 -1.365 -0.601 1.00 0.00 C ATOM 0 H VAL A 100 -6.319 -0.877 1.602 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.446 -0.858 1.801 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.315 0.625 -0.094 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.344 0.751 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.070 1.588 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.357 -0.018 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.850 -1.204 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -3.925 -2.053 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.673 -1.790 -0.209 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.090 1.239 3.082 1.00 0.00 N ATOM 1357 CA ASN A 101 -2.801 2.487 3.780 1.00 0.00 C ATOM 1358 C ASN A 101 -2.062 3.462 2.868 1.00 0.00 C ATOM 1359 O ASN A 101 -0.888 3.265 2.553 1.00 0.00 O ATOM 1360 CB ASN A 101 -1.968 2.213 5.034 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.740 1.437 6.084 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.180 1.998 7.087 1.00 0.00 O ATOM 1363 ND2 ASN A 101 -2.908 0.140 5.856 1.00 0.00 N ATOM 0 H ASN A 101 -2.427 0.487 3.271 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.749 2.938 4.073 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.074 1.654 4.758 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.634 3.160 5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.420 -0.434 6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.526 -0.283 5.010 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.758 4.514 2.449 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.168 5.520 1.575 1.00 0.00 C ATOM 1372 C ILE A 102 -1.965 6.839 2.314 1.00 0.00 C ATOM 1373 O ILE A 102 -2.929 7.525 2.657 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.042 5.769 0.332 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.256 4.465 -0.438 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.403 6.821 -0.563 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.195 4.605 -1.616 1.00 0.00 C ATOM 0 H ILE A 102 -3.730 4.691 2.701 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.200 5.133 1.256 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.014 6.139 0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.292 4.100 -0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.651 3.711 0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.033 6.986 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.298 7.754 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.420 6.477 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.299 3.641 -2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.171 4.940 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.792 5.335 -2.318 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.707 7.189 2.554 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.377 8.428 3.250 1.00 0.00 C ATOM 1391 C LEU A 103 0.706 9.201 2.503 1.00 0.00 C ATOM 1392 O LEU A 103 1.729 8.637 2.114 1.00 0.00 O ATOM 1393 CB LEU A 103 0.088 8.126 4.676 1.00 0.00 C ATOM 1394 CG LEU A 103 0.787 6.782 4.884 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.287 6.923 4.680 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.484 6.233 6.270 1.00 0.00 C ATOM 0 H LEU A 103 0.102 6.633 2.277 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.275 9.044 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.767 8.918 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.779 8.168 5.336 1.00 0.00 H new ATOM 0 HG LEU A 103 0.406 6.077 4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.767 5.956 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.485 7.271 3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.685 7.643 5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.989 5.276 6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.837 6.936 7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.591 6.093 6.379 1.00 0.00 H new ATOM 1408 N PHE A 104 0.474 10.494 2.308 1.00 0.00 N ATOM 1409 CA PHE A 104 1.429 11.346 1.609 1.00 0.00 C ATOM 1410 C PHE A 104 2.193 12.227 2.592 1.00 0.00 C ATOM 1411 O PHE A 104 1.635 13.163 3.164 1.00 0.00 O ATOM 1412 CB PHE A 104 0.709 12.217 0.578 1.00 0.00 C ATOM 1413 CG PHE A 104 1.590 12.653 -0.559 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.398 11.739 -1.216 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.610 13.976 -0.969 1.00 0.00 C ATOM 1416 CE1 PHE A 104 3.209 12.136 -2.262 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.419 14.379 -2.014 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.220 13.458 -2.661 1.00 0.00 C ATOM 0 H PHE A 104 -0.368 10.976 2.624 1.00 0.00 H new ATOM 0 HA PHE A 104 2.143 10.703 1.095 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.141 11.664 0.177 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.309 13.100 1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.394 10.704 -0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.986 14.700 -0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.833 11.414 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.425 15.413 -2.325 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.854 13.771 -3.477 1.00 0.00 H new ATOM 1428 N GLU A 105 3.472 11.921 2.783 1.00 0.00 N ATOM 1429 CA GLU A 105 4.312 12.685 3.698 1.00 0.00 C ATOM 1430 C GLU A 105 3.760 12.627 5.119 1.00 0.00 C ATOM 1431 O GLU A 105 3.652 13.650 5.795 1.00 0.00 O ATOM 1432 CB GLU A 105 4.415 14.140 3.237 1.00 0.00 C ATOM 1433 CG GLU A 105 5.319 14.335 2.032 1.00 0.00 C ATOM 1434 CD GLU A 105 5.985 15.697 2.016 1.00 0.00 C ATOM 1435 OE1 GLU A 105 6.032 16.348 3.081 1.00 0.00 O ATOM 1436 OE2 GLU A 105 6.460 16.112 0.938 1.00 0.00 O ATOM 0 H GLU A 105 3.949 11.150 2.317 1.00 0.00 H new ATOM 0 HA GLU A 105 5.307 12.240 3.695 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.418 14.507 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.787 14.748 4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.085 13.560 2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.735 14.210 1.120 1.00 0.00 H new ATOM 1443 N GLU A 106 3.412 11.424 5.565 1.00 0.00 N ATOM 1444 CA GLU A 106 2.870 11.234 6.905 1.00 0.00 C ATOM 1445 C GLU A 106 1.476 11.843 7.019 1.00 0.00 C ATOM 1446 O GLU A 106 1.059 12.272 8.095 1.00 0.00 O ATOM 1447 CB GLU A 106 3.798 11.858 7.948 1.00 0.00 C ATOM 1448 CG GLU A 106 5.257 11.466 7.779 1.00 0.00 C ATOM 1449 CD GLU A 106 6.085 11.750 9.016 1.00 0.00 C ATOM 1450 OE1 GLU A 106 6.179 10.859 9.886 1.00 0.00 O ATOM 1451 OE2 GLU A 106 6.640 12.864 9.115 1.00 0.00 O ATOM 0 H GLU A 106 3.496 10.567 5.018 1.00 0.00 H new ATOM 0 HA GLU A 106 2.796 10.162 7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.714 12.943 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.464 11.562 8.942 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.319 10.404 7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.679 12.007 6.932 1.00 0.00 H new ATOM 1458 N VAL A 107 0.758 11.877 5.901 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.590 12.433 5.874 1.00 0.00 C ATOM 1460 C VAL A 107 -1.552 11.505 5.141 1.00 0.00 C ATOM 1461 O VAL A 107 -1.516 11.398 3.915 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.613 13.817 5.199 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.969 14.481 5.388 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.501 14.695 5.747 1.00 0.00 C ATOM 0 H VAL A 107 1.087 11.526 5.002 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.910 12.538 6.911 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.447 13.684 4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.966 15.458 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.745 13.858 4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.169 14.604 6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.470 15.669 5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.368 14.823 6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.464 14.223 5.554 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.414 10.836 5.900 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.389 9.917 5.322 1.00 0.00 C ATOM 1476 C HIS A 108 -4.293 10.639 4.327 1.00 0.00 C ATOM 1477 O HIS A 108 -4.923 11.643 4.662 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.232 9.276 6.424 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.656 7.998 6.952 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.191 6.759 6.672 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.584 7.773 7.748 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.474 5.826 7.273 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.493 6.415 7.932 1.00 0.00 N ATOM 0 H HIS A 108 -2.457 10.913 6.916 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.845 9.136 4.791 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.339 9.984 7.246 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.233 9.082 6.038 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.924 8.521 8.161 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.659 4.763 7.232 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.783 5.939 8.488 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.351 10.122 3.105 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.179 10.718 2.063 1.00 0.00 C ATOM 1494 C ILE A 109 -6.659 10.459 2.322 1.00 0.00 C ATOM 1495 O ILE A 109 -7.042 9.470 2.947 1.00 0.00 O ATOM 1496 CB ILE A 109 -4.809 10.173 0.671 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.086 8.670 0.597 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.349 10.463 0.358 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.454 8.190 -0.789 1.00 0.00 C ATOM 0 H ILE A 109 -3.835 9.292 2.812 1.00 0.00 H new ATOM 0 HA ILE A 109 -4.992 11.792 2.085 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.426 10.675 -0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.203 8.129 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -5.895 8.424 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.104 10.071 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.181 11.540 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.715 9.986 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.636 7.116 -0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.355 8.704 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.636 8.404 -1.477 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.513 11.368 1.828 1.00 0.00 N ATOM 1512 CA PRO A 110 -8.966 11.259 1.991 1.00 0.00 C ATOM 1513 C PRO A 110 -9.557 10.115 1.173 1.00 0.00 C ATOM 1514 O PRO A 110 -10.077 10.326 0.079 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.483 12.605 1.478 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.435 13.076 0.529 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.127 12.571 1.073 1.00 0.00 C ATOM 0 HA PRO A 110 -9.245 11.045 3.023 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.447 12.496 0.981 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.624 13.312 2.295 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.615 12.690 -0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.434 14.164 0.457 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.424 12.336 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.646 13.310 1.714 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.473 8.903 1.713 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.004 7.744 1.019 1.00 0.00 C ATOM 1527 C GLY A 111 -9.392 6.445 1.507 1.00 0.00 C ATOM 1528 O GLY A 111 -9.928 5.366 1.256 1.00 0.00 O ATOM 0 H GLY A 111 -9.047 8.703 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.085 7.707 1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.821 7.849 -0.050 1.00 0.00 H new ATOM 1532 N SER A 112 -8.266 6.549 2.205 1.00 0.00 N ATOM 1533 CA SER A 112 -7.577 5.374 2.725 1.00 0.00 C ATOM 1534 C SER A 112 -7.786 5.243 4.230 1.00 0.00 C ATOM 1535 O SER A 112 -8.057 6.217 4.932 1.00 0.00 O ATOM 1536 CB SER A 112 -6.082 5.452 2.411 1.00 0.00 C ATOM 1537 OG SER A 112 -5.310 4.897 3.461 1.00 0.00 O ATOM 0 H SER A 112 -7.811 7.435 2.424 1.00 0.00 H new ATOM 0 HA SER A 112 -7.997 4.493 2.240 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.874 4.920 1.483 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.794 6.492 2.254 1.00 0.00 H new ATOM 0 HG SER A 112 -4.802 5.608 3.904 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.656 4.009 4.740 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.334 2.841 3.914 1.00 0.00 C ATOM 1545 C PRO A 113 -8.483 2.447 2.993 1.00 0.00 C ATOM 1546 O PRO A 113 -9.643 2.765 3.260 1.00 0.00 O ATOM 1547 CB PRO A 113 -7.071 1.740 4.944 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.844 2.155 6.147 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.815 3.658 6.161 1.00 0.00 C ATOM 0 HA PRO A 113 -6.491 3.032 3.249 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.401 0.768 4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.008 1.653 5.167 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.868 1.785 6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.400 1.748 7.055 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.732 4.074 6.577 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.990 4.038 6.764 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.156 1.752 1.909 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.162 1.314 0.948 1.00 0.00 C ATOM 1559 C PHE A 114 -9.430 -0.181 1.086 1.00 0.00 C ATOM 1560 O PHE A 114 -8.739 -1.006 0.487 1.00 0.00 O ATOM 1561 CB PHE A 114 -8.709 1.634 -0.478 1.00 0.00 C ATOM 1562 CG PHE A 114 -8.878 3.079 -0.851 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -7.927 4.018 -0.486 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -9.988 3.497 -1.567 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -8.080 5.349 -0.828 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -10.146 4.826 -1.912 1.00 0.00 C ATOM 1567 CZ PHE A 114 -9.191 5.753 -1.542 1.00 0.00 C ATOM 0 H PHE A 114 -7.202 1.480 1.674 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.087 1.852 1.157 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -7.660 1.359 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.275 1.018 -1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.056 3.707 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.738 2.777 -1.859 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.332 6.072 -0.537 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -11.016 5.140 -2.471 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.313 6.792 -1.811 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.439 -0.525 1.880 1.00 0.00 N ATOM 1578 CA LYS A 115 -10.802 -1.920 2.097 1.00 0.00 C ATOM 1579 C LYS A 115 -11.158 -2.601 0.780 1.00 0.00 C ATOM 1580 O LYS A 115 -12.174 -2.285 0.162 1.00 0.00 O ATOM 1581 CB LYS A 115 -11.980 -2.017 3.069 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.420 -3.443 3.351 1.00 0.00 C ATOM 1583 CD LYS A 115 -13.414 -3.503 4.499 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.794 -3.033 4.066 1.00 0.00 C ATOM 1585 NZ LYS A 115 -15.846 -3.426 5.043 1.00 0.00 N ATOM 0 H LYS A 115 -11.020 0.145 2.384 1.00 0.00 H new ATOM 0 HA LYS A 115 -9.941 -2.430 2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.705 -1.538 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.823 -1.459 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -12.871 -3.869 2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -11.549 -4.053 3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.477 -4.525 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.059 -2.883 5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.790 -1.949 3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.031 -3.454 3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.772 -3.087 4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -15.868 -4.462 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.634 -3.004 5.970 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.316 -3.539 0.356 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.545 -4.267 -0.885 1.00 0.00 C ATOM 1601 C ALA A 116 -11.061 -5.675 -0.609 1.00 0.00 C ATOM 1602 O ALA A 116 -10.317 -6.539 -0.147 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.266 -4.323 -1.707 1.00 0.00 C ATOM 0 H ALA A 116 -9.469 -3.812 0.855 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.307 -3.735 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.451 -4.870 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -8.941 -3.310 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.488 -4.830 -1.136 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.340 -5.897 -0.895 1.00 0.00 N ATOM 1610 CA ASP A 117 -12.955 -7.201 -0.677 1.00 0.00 C ATOM 1611 C ASP A 117 -12.506 -8.198 -1.741 1.00 0.00 C ATOM 1612 O ASP A 117 -12.858 -8.069 -2.914 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.480 -7.077 -0.688 1.00 0.00 C ATOM 1614 CG ASP A 117 -15.156 -8.186 0.094 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -14.830 -9.366 -0.147 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -16.013 -7.873 0.948 1.00 0.00 O ATOM 0 H ASP A 117 -12.970 -5.192 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.635 -7.568 0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.766 -6.113 -0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -14.836 -7.094 -1.718 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.728 -9.191 -1.323 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.232 -10.210 -2.240 1.00 0.00 C ATOM 1623 C ILE A 118 -12.149 -11.428 -2.258 1.00 0.00 C ATOM 1624 O ILE A 118 -12.579 -11.907 -1.210 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.807 -10.659 -1.864 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.848 -9.468 -1.895 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.331 -11.754 -2.807 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.748 -8.808 -3.253 1.00 0.00 C ATOM 0 H ILE A 118 -11.428 -9.312 -0.356 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.213 -9.759 -3.232 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.824 -11.061 -0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.176 -8.729 -1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.857 -9.802 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.323 -12.061 -2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -10.003 -12.610 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.326 -11.377 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.051 -7.972 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.391 -9.533 -3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.730 -8.443 -3.553 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.442 -11.923 -3.456 1.00 0.00 N ATOM 1641 CA GLU A 119 -13.308 -13.086 -3.610 1.00 0.00 C ATOM 1642 C GLU A 119 -12.533 -14.270 -4.180 1.00 0.00 C ATOM 1643 O GLU A 119 -11.411 -14.116 -4.663 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.492 -12.752 -4.520 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.359 -11.618 -4.000 1.00 0.00 C ATOM 1646 CD GLU A 119 -16.539 -11.324 -4.905 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -16.340 -10.666 -5.947 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -17.664 -11.752 -4.570 1.00 0.00 O ATOM 0 H GLU A 119 -12.093 -11.537 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.683 -13.360 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -14.116 -12.487 -5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -15.108 -13.643 -4.642 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -15.724 -11.871 -3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -14.752 -10.719 -3.898 1.00 0.00 H new ATOM 1655 N MET A 120 -13.138 -15.452 -4.118 1.00 0.00 N ATOM 1656 CA MET A 120 -12.505 -16.662 -4.628 1.00 0.00 C ATOM 1657 C MET A 120 -12.734 -16.804 -6.129 1.00 0.00 C ATOM 1658 O MET A 120 -13.811 -16.509 -6.648 1.00 0.00 O ATOM 1659 CB MET A 120 -13.047 -17.893 -3.899 1.00 0.00 C ATOM 1660 CG MET A 120 -12.688 -17.933 -2.423 1.00 0.00 C ATOM 1661 SD MET A 120 -13.636 -19.165 -1.510 1.00 0.00 S ATOM 1662 CE MET A 120 -12.864 -19.060 0.103 1.00 0.00 C ATOM 0 H MET A 120 -14.066 -15.597 -3.720 1.00 0.00 H new ATOM 0 HA MET A 120 -11.433 -16.585 -4.448 1.00 0.00 H new ATOM 0 HB2 MET A 120 -14.132 -17.917 -4.001 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.661 -18.790 -4.383 1.00 0.00 H new ATOM 0 HG2 MET A 120 -11.625 -18.147 -2.318 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.860 -16.950 -1.985 1.00 0.00 H new ATOM 0 HE1 MET A 120 -13.441 -19.643 0.821 1.00 0.00 H new ATOM 0 HE2 MET A 120 -11.849 -19.454 0.047 1.00 0.00 H new ATOM 0 HE3 MET A 120 -12.832 -18.019 0.424 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.698 -17.266 -6.846 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.762 -17.457 -8.298 1.00 0.00 C ATOM 1674 C PRO A 121 -12.676 -18.613 -8.690 1.00 0.00 C ATOM 1675 O PRO A 121 -12.943 -19.507 -7.886 1.00 0.00 O ATOM 1676 CB PRO A 121 -10.313 -17.768 -8.679 1.00 0.00 C ATOM 1677 CG PRO A 121 -9.708 -18.335 -7.441 1.00 0.00 C ATOM 1678 CD PRO A 121 -10.384 -17.637 -6.293 1.00 0.00 C ATOM 0 HA PRO A 121 -12.173 -16.585 -8.807 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.265 -18.478 -9.504 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.787 -16.869 -9.001 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.864 -19.413 -7.389 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.631 -18.167 -7.420 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -10.483 -18.291 -5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.823 -16.761 -5.968 1.00 0.00 H new