USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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 Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00381 USER MOD Single : A 43 SER OG : rot 77:sc= 1.12 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 55 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.49) USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.53! K(o=-1.5!,f=-1) USER MOD Single : A 64 THR OG1 : rot 3:sc= -1.65! USER MOD Single : A 65 HIS : no HD1:sc= -0.888 K(o=-0.89,f=-0.11) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0156 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -10:sc= -0.376 USER MOD Single : A 98 TYR OH : rot 180:sc= 0.9 USER MOD Single : A 103 THR OG1 : rot 170:sc= -1.84 USER MOD Single : A 105 GLN : amide:sc= -3.5! C(o=-3.5!,f=-5.7!) USER MOD Single : A 106 THR OG1 : rot 120:sc= -1.32 USER MOD Single : A 108 LYS NZ :NH3+ -152:sc= 1.21 (180deg=0.366) USER MOD Single : A 120 THR OG1 : rot 162:sc= 1.21 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 350 N VAL A 27 13.806 9.491 -1.820 1.00 0.00 N ATOM 351 CA VAL A 27 12.801 8.449 -1.944 1.00 0.00 C ATOM 352 C VAL A 27 12.831 7.885 -3.366 1.00 0.00 C ATOM 353 O VAL A 27 13.327 8.535 -4.285 1.00 0.00 O ATOM 354 CB VAL A 27 11.428 8.995 -1.547 1.00 0.00 C ATOM 355 CG1 VAL A 27 11.323 9.159 -0.029 1.00 0.00 C ATOM 356 CG2 VAL A 27 11.135 10.315 -2.263 1.00 0.00 C ATOM 0 HA VAL A 27 13.018 7.627 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 27 10.675 8.271 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.338 9.548 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.467 8.192 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.089 9.854 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.153 10.681 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.894 11.050 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.149 10.155 -3.341 1.00 0.00 H new ATOM 366 N PRO A 28 12.279 6.650 -3.507 1.00 0.00 N ATOM 367 CA PRO A 28 12.238 5.991 -4.801 1.00 0.00 C ATOM 368 C PRO A 28 11.164 6.611 -5.698 1.00 0.00 C ATOM 369 O PRO A 28 10.286 7.326 -5.217 1.00 0.00 O ATOM 370 CB PRO A 28 11.978 4.527 -4.489 1.00 0.00 C ATOM 371 CG PRO A 28 11.423 4.494 -3.074 1.00 0.00 C ATOM 372 CD PRO A 28 11.682 5.851 -2.441 1.00 0.00 C ATOM 0 HA PRO A 28 13.166 6.106 -5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 28 11.269 4.097 -5.197 1.00 0.00 H new ATOM 0 HB3 PRO A 28 12.896 3.943 -4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.355 4.277 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 28 11.902 3.705 -2.494 1.00 0.00 H new ATOM 0 HD2 PRO A 28 10.758 6.302 -2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.353 5.767 -1.586 1.00 0.00 H new ATOM 380 N GLY A 29 11.269 6.314 -6.985 1.00 0.00 N ATOM 381 CA GLY A 29 10.318 6.833 -7.953 1.00 0.00 C ATOM 382 C GLY A 29 9.011 6.038 -7.918 1.00 0.00 C ATOM 383 O GLY A 29 8.827 5.177 -7.060 1.00 0.00 O ATOM 0 H GLY A 29 11.998 5.720 -7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.115 7.883 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.749 6.787 -8.953 1.00 0.00 H new ATOM 387 N PRO A 30 8.114 6.364 -8.887 1.00 0.00 N ATOM 388 CA PRO A 30 6.830 5.690 -8.976 1.00 0.00 C ATOM 389 C PRO A 30 6.989 4.280 -9.549 1.00 0.00 C ATOM 390 O PRO A 30 7.770 4.067 -10.475 1.00 0.00 O ATOM 391 CB PRO A 30 5.972 6.592 -9.848 1.00 0.00 C ATOM 392 CG PRO A 30 6.940 7.495 -10.593 1.00 0.00 C ATOM 393 CD PRO A 30 8.298 7.379 -9.921 1.00 0.00 C ATOM 0 HA PRO A 30 6.365 5.541 -8.002 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.371 6.006 -10.543 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.280 7.177 -9.242 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.006 7.201 -11.641 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.591 8.527 -10.573 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.068 7.084 -10.633 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.610 8.331 -9.491 1.00 0.00 H new ATOM 401 N PRO A 31 6.217 3.329 -8.958 1.00 0.00 N ATOM 402 CA PRO A 31 6.264 1.946 -9.400 1.00 0.00 C ATOM 403 C PRO A 31 5.527 1.769 -10.729 1.00 0.00 C ATOM 404 O PRO A 31 4.303 1.879 -10.783 1.00 0.00 O ATOM 405 CB PRO A 31 5.642 1.149 -8.265 1.00 0.00 C ATOM 406 CG PRO A 31 4.851 2.149 -7.438 1.00 0.00 C ATOM 407 CD PRO A 31 5.281 3.545 -7.859 1.00 0.00 C ATOM 0 HA PRO A 31 7.279 1.603 -9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.994 0.362 -8.650 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.410 0.664 -7.662 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.781 2.015 -7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.037 1.997 -6.375 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.427 4.143 -8.178 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.754 4.079 -7.035 1.00 0.00 H new ATOM 415 N MET A 32 6.303 1.497 -11.768 1.00 0.00 N ATOM 416 CA MET A 32 5.740 1.303 -13.093 1.00 0.00 C ATOM 417 C MET A 32 5.453 -0.176 -13.356 1.00 0.00 C ATOM 418 O MET A 32 5.986 -1.047 -12.670 1.00 0.00 O ATOM 419 CB MET A 32 6.717 1.829 -14.145 1.00 0.00 C ATOM 420 CG MET A 32 8.074 1.131 -14.030 1.00 0.00 C ATOM 421 SD MET A 32 8.976 1.292 -15.562 1.00 0.00 S ATOM 422 CE MET A 32 10.621 0.892 -14.998 1.00 0.00 C ATOM 0 H MET A 32 7.318 1.406 -11.719 1.00 0.00 H new ATOM 0 HA MET A 32 4.800 1.852 -13.151 1.00 0.00 H new ATOM 0 HB2 MET A 32 6.305 1.669 -15.141 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.845 2.904 -14.022 1.00 0.00 H new ATOM 0 HG2 MET A 32 8.648 1.567 -13.213 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.931 0.077 -13.792 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.316 0.945 -15.836 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.925 1.602 -14.229 1.00 0.00 H new ATOM 0 HE3 MET A 32 10.629 -0.116 -14.584 1.00 0.00 H new ATOM 432 N GLY A 33 4.611 -0.415 -14.351 1.00 0.00 N ATOM 433 CA GLY A 33 4.246 -1.774 -14.713 1.00 0.00 C ATOM 434 C GLY A 33 3.062 -2.265 -13.878 1.00 0.00 C ATOM 435 O GLY A 33 3.111 -3.352 -13.304 1.00 0.00 O ATOM 0 H GLY A 33 4.171 0.310 -14.918 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.991 -1.816 -15.772 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.100 -2.435 -14.564 1.00 0.00 H new ATOM 439 N ILE A 34 2.026 -1.441 -13.836 1.00 0.00 N ATOM 440 CA ILE A 34 0.831 -1.777 -13.081 1.00 0.00 C ATOM 441 C ILE A 34 -0.188 -2.435 -14.014 1.00 0.00 C ATOM 442 O ILE A 34 -0.618 -1.829 -14.995 1.00 0.00 O ATOM 443 CB ILE A 34 0.292 -0.545 -12.353 1.00 0.00 C ATOM 444 CG1 ILE A 34 1.436 0.318 -11.815 1.00 0.00 C ATOM 445 CG2 ILE A 34 -0.691 -0.945 -11.251 1.00 0.00 C ATOM 446 CD1 ILE A 34 2.368 -0.502 -10.921 1.00 0.00 C ATOM 0 H ILE A 34 1.989 -0.540 -14.313 1.00 0.00 H new ATOM 0 HA ILE A 34 1.065 -2.502 -12.301 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.259 0.062 -13.071 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.001 0.739 -12.647 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.029 1.157 -11.250 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.059 -0.050 -10.749 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.529 -1.486 -11.690 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.186 -1.585 -10.527 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.172 0.135 -10.552 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.805 -0.901 -10.077 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.792 -1.325 -11.496 1.00 0.00 H new ATOM 458 N LEU A 35 -0.545 -3.665 -13.676 1.00 0.00 N ATOM 459 CA LEU A 35 -1.506 -4.411 -14.471 1.00 0.00 C ATOM 460 C LEU A 35 -2.399 -5.236 -13.542 1.00 0.00 C ATOM 461 O LEU A 35 -1.977 -5.625 -12.454 1.00 0.00 O ATOM 462 CB LEU A 35 -0.789 -5.244 -15.535 1.00 0.00 C ATOM 463 CG LEU A 35 0.038 -4.460 -16.556 1.00 0.00 C ATOM 464 CD1 LEU A 35 0.935 -5.395 -17.370 1.00 0.00 C ATOM 465 CD2 LEU A 35 -0.863 -3.606 -17.451 1.00 0.00 C ATOM 0 H LEU A 35 -0.186 -4.164 -12.862 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.158 -3.730 -15.018 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.131 -5.952 -15.031 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.535 -5.829 -16.073 1.00 0.00 H new ATOM 0 HG LEU A 35 0.693 -3.778 -16.014 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.512 -4.812 -18.088 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.615 -5.921 -16.700 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.318 -6.119 -17.903 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.251 -3.059 -18.168 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.560 -4.251 -17.987 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.421 -2.899 -16.837 1.00 0.00 H new ATOM 477 N PHE A 36 -3.616 -5.479 -14.005 1.00 0.00 N ATOM 478 CA PHE A 36 -4.572 -6.251 -13.230 1.00 0.00 C ATOM 479 C PHE A 36 -4.911 -7.567 -13.931 1.00 0.00 C ATOM 480 O PHE A 36 -5.831 -7.621 -14.747 1.00 0.00 O ATOM 481 CB PHE A 36 -5.842 -5.405 -13.115 1.00 0.00 C ATOM 482 CG PHE A 36 -5.712 -4.214 -12.164 1.00 0.00 C ATOM 483 CD1 PHE A 36 -6.003 -4.363 -10.843 1.00 0.00 C ATOM 484 CD2 PHE A 36 -5.306 -3.006 -12.638 1.00 0.00 C ATOM 485 CE1 PHE A 36 -5.883 -3.258 -9.961 1.00 0.00 C ATOM 486 CE2 PHE A 36 -5.186 -1.900 -11.755 1.00 0.00 C ATOM 487 CZ PHE A 36 -5.477 -2.049 -10.435 1.00 0.00 C ATOM 0 H PHE A 36 -3.962 -5.155 -14.908 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.152 -6.489 -12.253 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.113 -5.038 -14.105 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.660 -6.040 -12.775 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.325 -5.322 -10.466 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.075 -2.887 -13.686 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.114 -3.377 -8.913 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.864 -0.941 -12.132 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.386 -1.208 -9.763 1.00 0.00 H new ATOM 497 N PRO A 37 -4.131 -8.624 -13.580 1.00 0.00 N ATOM 498 CA PRO A 37 -4.340 -9.937 -14.167 1.00 0.00 C ATOM 499 C PRO A 37 -5.579 -10.611 -13.575 1.00 0.00 C ATOM 500 O PRO A 37 -6.432 -11.106 -14.311 1.00 0.00 O ATOM 501 CB PRO A 37 -3.057 -10.702 -13.887 1.00 0.00 C ATOM 502 CG PRO A 37 -2.365 -9.956 -12.758 1.00 0.00 C ATOM 503 CD PRO A 37 -3.033 -8.598 -12.618 1.00 0.00 C ATOM 0 HA PRO A 37 -4.536 -9.892 -15.238 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.271 -11.732 -13.601 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.425 -10.742 -14.774 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.442 -10.517 -11.827 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.303 -9.839 -12.973 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.399 -8.439 -11.604 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.335 -7.789 -12.835 1.00 0.00 H new ATOM 511 N GLU A 38 -5.640 -10.609 -12.252 1.00 0.00 N ATOM 512 CA GLU A 38 -6.760 -11.215 -11.553 1.00 0.00 C ATOM 513 C GLU A 38 -7.571 -10.143 -10.821 1.00 0.00 C ATOM 514 O GLU A 38 -7.055 -9.471 -9.929 1.00 0.00 O ATOM 515 CB GLU A 38 -6.282 -12.298 -10.584 1.00 0.00 C ATOM 516 CG GLU A 38 -7.386 -12.674 -9.594 1.00 0.00 C ATOM 517 CD GLU A 38 -6.875 -13.676 -8.557 1.00 0.00 C ATOM 518 OE1 GLU A 38 -6.441 -14.767 -8.987 1.00 0.00 O ATOM 519 OE2 GLU A 38 -6.929 -13.329 -7.357 1.00 0.00 O ATOM 0 H GLU A 38 -4.931 -10.197 -11.645 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.406 -11.693 -12.289 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.974 -13.181 -11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.406 -11.944 -10.040 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.749 -11.778 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.232 -13.102 -10.132 1.00 0.00 H new ATOM 526 N VAL A 39 -8.826 -10.017 -11.225 1.00 0.00 N ATOM 527 CA VAL A 39 -9.713 -9.038 -10.619 1.00 0.00 C ATOM 528 C VAL A 39 -11.109 -9.646 -10.467 1.00 0.00 C ATOM 529 O VAL A 39 -11.735 -10.027 -11.455 1.00 0.00 O ATOM 530 CB VAL A 39 -9.709 -7.748 -11.441 1.00 0.00 C ATOM 531 CG1 VAL A 39 -10.754 -6.761 -10.917 1.00 0.00 C ATOM 532 CG2 VAL A 39 -8.317 -7.114 -11.460 1.00 0.00 C ATOM 0 H VAL A 39 -9.250 -10.577 -11.965 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.364 -8.772 -9.621 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.974 -8.004 -12.467 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -10.730 -5.852 -11.519 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.744 -7.212 -10.980 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.533 -6.514 -9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.342 -6.199 -12.051 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.010 -6.879 -10.441 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.605 -7.812 -11.902 1.00 0.00 H new ATOM 542 N ARG A 40 -11.556 -9.718 -9.222 1.00 0.00 N ATOM 543 CA ARG A 40 -12.866 -10.274 -8.928 1.00 0.00 C ATOM 544 C ARG A 40 -13.842 -9.158 -8.547 1.00 0.00 C ATOM 545 O ARG A 40 -13.562 -7.981 -8.769 1.00 0.00 O ATOM 546 CB ARG A 40 -12.791 -11.288 -7.786 1.00 0.00 C ATOM 547 CG ARG A 40 -11.508 -12.117 -7.872 1.00 0.00 C ATOM 548 CD ARG A 40 -11.488 -12.965 -9.146 1.00 0.00 C ATOM 549 NE ARG A 40 -10.298 -13.845 -9.149 1.00 0.00 N ATOM 550 CZ ARG A 40 -10.193 -14.964 -9.878 1.00 0.00 C ATOM 551 NH1 ARG A 40 -11.207 -15.347 -10.667 1.00 0.00 N ATOM 552 NH2 ARG A 40 -9.075 -15.701 -9.819 1.00 0.00 N ATOM 0 H ARG A 40 -11.034 -9.401 -8.405 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.220 -10.781 -9.825 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.828 -10.767 -6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.658 -11.948 -7.823 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.642 -11.456 -7.857 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.430 -12.764 -6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.395 -13.566 -9.207 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.475 -12.318 -10.023 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.508 -13.583 -8.559 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.058 -14.786 -10.712 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.127 -16.199 -11.222 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.303 -15.410 -9.219 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.996 -16.553 -10.374 1.00 0.00 H new ATOM 566 N THR A 41 -14.967 -9.568 -7.981 1.00 0.00 N ATOM 567 CA THR A 41 -15.986 -8.618 -7.567 1.00 0.00 C ATOM 568 C THR A 41 -15.595 -7.960 -6.242 1.00 0.00 C ATOM 569 O THR A 41 -15.184 -6.802 -6.218 1.00 0.00 O ATOM 570 CB THR A 41 -17.325 -9.357 -7.507 1.00 0.00 C ATOM 571 OG1 THR A 41 -16.974 -10.726 -7.685 1.00 0.00 O ATOM 572 CG2 THR A 41 -18.221 -9.043 -8.706 1.00 0.00 C ATOM 0 H THR A 41 -15.196 -10.545 -7.799 1.00 0.00 H new ATOM 0 HA THR A 41 -16.081 -7.802 -8.283 1.00 0.00 H new ATOM 0 HB THR A 41 -17.845 -9.092 -6.586 1.00 0.00 H new ATOM 0 HG1 THR A 41 -17.784 -11.277 -7.658 1.00 0.00 H new ATOM 0 HG21 THR A 41 -19.158 -9.593 -8.614 1.00 0.00 H new ATOM 0 HG22 THR A 41 -18.429 -7.973 -8.734 1.00 0.00 H new ATOM 0 HG23 THR A 41 -17.716 -9.339 -9.625 1.00 0.00 H new ATOM 580 N THR A 42 -15.738 -8.729 -5.172 1.00 0.00 N ATOM 581 CA THR A 42 -15.405 -8.235 -3.847 1.00 0.00 C ATOM 582 C THR A 42 -13.940 -8.532 -3.519 1.00 0.00 C ATOM 583 O THR A 42 -13.583 -8.705 -2.355 1.00 0.00 O ATOM 584 CB THR A 42 -16.387 -8.854 -2.851 1.00 0.00 C ATOM 585 OG1 THR A 42 -16.117 -10.252 -2.920 1.00 0.00 O ATOM 586 CG2 THR A 42 -17.842 -8.732 -3.310 1.00 0.00 C ATOM 0 H THR A 42 -16.080 -9.690 -5.196 1.00 0.00 H new ATOM 0 HA THR A 42 -15.504 -7.151 -3.793 1.00 0.00 H new ATOM 0 HB THR A 42 -16.271 -8.372 -1.880 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.709 -10.730 -2.303 1.00 0.00 H new ATOM 0 HG21 THR A 42 -18.497 -9.187 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 42 -18.100 -7.679 -3.425 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.966 -9.243 -4.265 1.00 0.00 H new ATOM 594 N SER A 43 -13.131 -8.581 -4.568 1.00 0.00 N ATOM 595 CA SER A 43 -11.713 -8.854 -4.406 1.00 0.00 C ATOM 596 C SER A 43 -11.003 -8.746 -5.757 1.00 0.00 C ATOM 597 O SER A 43 -11.619 -8.942 -6.804 1.00 0.00 O ATOM 598 CB SER A 43 -11.484 -10.237 -3.795 1.00 0.00 C ATOM 599 OG SER A 43 -10.167 -10.720 -4.045 1.00 0.00 O ATOM 0 H SER A 43 -13.430 -8.436 -5.532 1.00 0.00 H new ATOM 0 HA SER A 43 -11.298 -8.113 -3.723 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.655 -10.191 -2.719 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.211 -10.939 -4.204 1.00 0.00 H new ATOM 0 HG SER A 43 -9.535 -10.271 -3.446 1.00 0.00 H new ATOM 605 N VAL A 44 -9.716 -8.436 -5.690 1.00 0.00 N ATOM 606 CA VAL A 44 -8.915 -8.301 -6.895 1.00 0.00 C ATOM 607 C VAL A 44 -7.457 -8.631 -6.573 1.00 0.00 C ATOM 608 O VAL A 44 -7.111 -8.866 -5.416 1.00 0.00 O ATOM 609 CB VAL A 44 -9.095 -6.902 -7.488 1.00 0.00 C ATOM 610 CG1 VAL A 44 -10.571 -6.501 -7.512 1.00 0.00 C ATOM 611 CG2 VAL A 44 -8.259 -5.872 -6.725 1.00 0.00 C ATOM 0 H VAL A 44 -9.208 -8.275 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.247 -9.007 -7.656 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.739 -6.927 -8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.670 -5.503 -7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.131 -7.212 -8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.965 -6.502 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.405 -4.886 -7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.571 -5.852 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.205 -6.143 -6.784 1.00 0.00 H new ATOM 621 N ARG A 45 -6.641 -8.639 -7.617 1.00 0.00 N ATOM 622 CA ARG A 45 -5.227 -8.937 -7.459 1.00 0.00 C ATOM 623 C ARG A 45 -4.424 -8.321 -8.606 1.00 0.00 C ATOM 624 O ARG A 45 -4.433 -8.838 -9.723 1.00 0.00 O ATOM 625 CB ARG A 45 -4.983 -10.447 -7.428 1.00 0.00 C ATOM 626 CG ARG A 45 -3.495 -10.758 -7.249 1.00 0.00 C ATOM 627 CD ARG A 45 -3.127 -12.081 -7.923 1.00 0.00 C ATOM 628 NE ARG A 45 -3.173 -13.183 -6.936 1.00 0.00 N ATOM 629 CZ ARG A 45 -2.269 -13.358 -5.963 1.00 0.00 C ATOM 630 NH1 ARG A 45 -1.243 -12.505 -5.840 1.00 0.00 N ATOM 631 NH2 ARG A 45 -2.391 -14.386 -5.112 1.00 0.00 N ATOM 0 H ARG A 45 -6.932 -8.444 -8.575 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.901 -8.508 -6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.552 -10.894 -6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.344 -10.896 -8.353 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.897 -9.951 -7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.255 -10.808 -6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.817 -12.286 -8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.130 -12.012 -8.357 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.941 -13.851 -7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.150 -11.722 -6.487 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.555 -12.638 -5.099 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.172 -15.035 -5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.703 -14.519 -4.371 1.00 0.00 H new ATOM 645 N LEU A 46 -3.748 -7.226 -8.292 1.00 0.00 N ATOM 646 CA LEU A 46 -2.941 -6.534 -9.282 1.00 0.00 C ATOM 647 C LEU A 46 -1.462 -6.824 -9.021 1.00 0.00 C ATOM 648 O LEU A 46 -1.110 -7.398 -7.992 1.00 0.00 O ATOM 649 CB LEU A 46 -3.281 -5.043 -9.303 1.00 0.00 C ATOM 650 CG LEU A 46 -2.433 -4.148 -8.396 1.00 0.00 C ATOM 651 CD1 LEU A 46 -2.417 -2.706 -8.908 1.00 0.00 C ATOM 652 CD2 LEU A 46 -2.905 -4.236 -6.944 1.00 0.00 C ATOM 0 H LEU A 46 -3.743 -6.801 -7.365 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.167 -6.903 -10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.185 -4.683 -10.327 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.327 -4.925 -9.021 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.405 -4.510 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.808 -2.091 -8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.997 -2.682 -9.914 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.435 -2.316 -8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.286 -3.591 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.944 -3.914 -6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.821 -5.266 -6.596 1.00 0.00 H new ATOM 664 N ILE A 47 -0.634 -6.413 -9.971 1.00 0.00 N ATOM 665 CA ILE A 47 0.799 -6.622 -9.857 1.00 0.00 C ATOM 666 C ILE A 47 1.532 -5.363 -10.325 1.00 0.00 C ATOM 667 O ILE A 47 1.034 -4.632 -11.180 1.00 0.00 O ATOM 668 CB ILE A 47 1.217 -7.890 -10.603 1.00 0.00 C ATOM 669 CG1 ILE A 47 1.386 -7.616 -12.099 1.00 0.00 C ATOM 670 CG2 ILE A 47 0.234 -9.032 -10.337 1.00 0.00 C ATOM 671 CD1 ILE A 47 0.047 -7.253 -12.744 1.00 0.00 C ATOM 0 H ILE A 47 -0.929 -5.936 -10.823 1.00 0.00 H new ATOM 0 HA ILE A 47 1.078 -6.786 -8.816 1.00 0.00 H new ATOM 0 HB ILE A 47 2.188 -8.206 -10.222 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.097 -6.803 -12.245 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.803 -8.496 -12.589 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.554 -9.922 -10.879 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.207 -9.248 -9.269 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.761 -8.741 -10.673 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.195 -7.063 -13.807 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.654 -8.078 -12.617 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.355 -6.359 -12.268 1.00 0.00 H new ATOM 683 N TRP A 48 2.703 -5.148 -9.744 1.00 0.00 N ATOM 684 CA TRP A 48 3.510 -3.991 -10.091 1.00 0.00 C ATOM 685 C TRP A 48 4.974 -4.432 -10.140 1.00 0.00 C ATOM 686 O TRP A 48 5.276 -5.613 -9.974 1.00 0.00 O ATOM 687 CB TRP A 48 3.264 -2.839 -9.115 1.00 0.00 C ATOM 688 CG TRP A 48 3.757 -3.113 -7.693 1.00 0.00 C ATOM 689 CD1 TRP A 48 4.910 -2.727 -7.130 1.00 0.00 C ATOM 690 CD2 TRP A 48 3.059 -3.852 -6.669 1.00 0.00 C ATOM 691 NE1 TRP A 48 5.006 -3.162 -5.824 1.00 0.00 N ATOM 692 CE2 TRP A 48 3.845 -3.868 -5.535 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.805 -4.487 -6.700 1.00 0.00 C ATOM 694 CZ2 TRP A 48 3.464 -4.505 -4.347 1.00 0.00 C ATOM 695 CZ3 TRP A 48 1.439 -5.119 -5.505 1.00 0.00 C ATOM 696 CH2 TRP A 48 2.219 -5.144 -4.355 1.00 0.00 C ATOM 0 H TRP A 48 3.112 -5.756 -9.035 1.00 0.00 H new ATOM 0 HA TRP A 48 3.231 -3.606 -11.072 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.757 -1.944 -9.494 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.196 -2.625 -9.083 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.669 -2.148 -7.635 1.00 0.00 H new ATOM 0 HE1 TRP A 48 5.786 -2.996 -5.188 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.174 -4.487 -7.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.097 -4.503 -3.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.484 -5.622 -5.475 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.866 -5.654 -3.471 1.00 0.00 H new ATOM 707 N GLN A 49 5.845 -3.459 -10.367 1.00 0.00 N ATOM 708 CA GLN A 49 7.270 -3.732 -10.438 1.00 0.00 C ATOM 709 C GLN A 49 8.057 -2.640 -9.712 1.00 0.00 C ATOM 710 O GLN A 49 7.537 -1.552 -9.470 1.00 0.00 O ATOM 711 CB GLN A 49 7.730 -3.865 -11.892 1.00 0.00 C ATOM 712 CG GLN A 49 7.492 -5.283 -12.415 1.00 0.00 C ATOM 713 CD GLN A 49 7.543 -5.320 -13.943 1.00 0.00 C ATOM 714 OE1 GLN A 49 7.909 -4.359 -14.601 1.00 0.00 O ATOM 715 NE2 GLN A 49 7.157 -6.478 -14.470 1.00 0.00 N ATOM 0 H GLN A 49 5.591 -2.481 -10.504 1.00 0.00 H new ATOM 0 HA GLN A 49 7.463 -4.683 -9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.193 -3.149 -12.514 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.789 -3.619 -11.966 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.245 -5.956 -12.006 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.522 -5.643 -12.071 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.862 -7.242 -13.862 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.155 -6.602 -15.482 1.00 0.00 H new ATOM 724 N PRO A 50 9.331 -2.977 -9.376 1.00 0.00 N ATOM 725 CA PRO A 50 10.195 -2.037 -8.682 1.00 0.00 C ATOM 726 C PRO A 50 10.697 -0.948 -9.632 1.00 0.00 C ATOM 727 O PRO A 50 10.827 -1.180 -10.833 1.00 0.00 O ATOM 728 CB PRO A 50 11.317 -2.886 -8.106 1.00 0.00 C ATOM 729 CG PRO A 50 11.294 -4.191 -8.884 1.00 0.00 C ATOM 730 CD PRO A 50 9.980 -4.256 -9.646 1.00 0.00 C ATOM 0 HA PRO A 50 9.677 -1.495 -7.891 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.279 -2.385 -8.212 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.165 -3.063 -7.041 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.137 -4.240 -9.573 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.385 -5.041 -8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 50 10.148 -4.397 -10.714 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.367 -5.091 -9.307 1.00 0.00 H new ATOM 738 N PRO A 51 10.973 0.246 -9.044 1.00 0.00 N ATOM 739 CA PRO A 51 11.457 1.371 -9.825 1.00 0.00 C ATOM 740 C PRO A 51 12.927 1.181 -10.207 1.00 0.00 C ATOM 741 O PRO A 51 13.778 0.990 -9.340 1.00 0.00 O ATOM 742 CB PRO A 51 11.225 2.590 -8.947 1.00 0.00 C ATOM 743 CG PRO A 51 11.052 2.058 -7.533 1.00 0.00 C ATOM 744 CD PRO A 51 10.831 0.557 -7.624 1.00 0.00 C ATOM 0 HA PRO A 51 10.936 1.477 -10.776 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.068 3.279 -9.005 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.341 3.140 -9.268 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.934 2.278 -6.932 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.205 2.540 -7.045 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.561 0.012 -7.025 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.844 0.279 -7.255 1.00 0.00 H new ATOM 752 N ALA A 52 13.180 1.241 -11.506 1.00 0.00 N ATOM 753 CA ALA A 52 14.532 1.077 -12.014 1.00 0.00 C ATOM 754 C ALA A 52 15.489 1.940 -11.189 1.00 0.00 C ATOM 755 O ALA A 52 16.668 1.614 -11.059 1.00 0.00 O ATOM 756 CB ALA A 52 14.564 1.430 -13.502 1.00 0.00 C ATOM 0 H ALA A 52 12.472 1.401 -12.222 1.00 0.00 H new ATOM 0 HA ALA A 52 14.856 0.041 -11.918 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.578 1.307 -13.883 1.00 0.00 H new ATOM 0 HB2 ALA A 52 13.889 0.770 -14.047 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.248 2.464 -13.637 1.00 0.00 H new ATOM 762 N ALA A 53 14.946 3.023 -10.653 1.00 0.00 N ATOM 763 CA ALA A 53 15.737 3.935 -9.844 1.00 0.00 C ATOM 764 C ALA A 53 15.189 3.950 -8.416 1.00 0.00 C ATOM 765 O ALA A 53 14.371 4.801 -8.071 1.00 0.00 O ATOM 766 CB ALA A 53 15.731 5.323 -10.486 1.00 0.00 C ATOM 0 H ALA A 53 13.968 3.290 -10.763 1.00 0.00 H new ATOM 0 HA ALA A 53 16.774 3.603 -9.795 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.324 6.007 -9.879 1.00 0.00 H new ATOM 0 HB2 ALA A 53 16.158 5.263 -11.487 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.707 5.690 -10.550 1.00 0.00 H new ATOM 772 N PRO A 54 15.674 2.973 -7.604 1.00 0.00 N ATOM 773 CA PRO A 54 15.240 2.867 -6.221 1.00 0.00 C ATOM 774 C PRO A 54 15.887 3.953 -5.358 1.00 0.00 C ATOM 775 O PRO A 54 15.267 4.460 -4.425 1.00 0.00 O ATOM 776 CB PRO A 54 15.629 1.460 -5.794 1.00 0.00 C ATOM 777 CG PRO A 54 16.674 0.995 -6.795 1.00 0.00 C ATOM 778 CD PRO A 54 16.643 1.948 -7.978 1.00 0.00 C ATOM 0 HA PRO A 54 14.168 3.024 -6.104 1.00 0.00 H new ATOM 0 HB2 PRO A 54 16.030 1.456 -4.780 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.763 0.798 -5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.663 0.986 -6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.464 -0.024 -7.120 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.626 2.381 -8.163 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.344 1.435 -8.892 1.00 0.00 H new ATOM 786 N ASN A 55 17.125 4.277 -5.701 1.00 0.00 N ATOM 787 CA ASN A 55 17.862 5.293 -4.970 1.00 0.00 C ATOM 788 C ASN A 55 17.589 5.137 -3.473 1.00 0.00 C ATOM 789 O ASN A 55 17.353 6.122 -2.776 1.00 0.00 O ATOM 790 CB ASN A 55 17.423 6.699 -5.387 1.00 0.00 C ATOM 791 CG ASN A 55 17.104 6.752 -6.882 1.00 0.00 C ATOM 792 OD1 ASN A 55 17.964 6.599 -7.733 1.00 0.00 O ATOM 793 ND2 ASN A 55 15.822 6.978 -7.154 1.00 0.00 N ATOM 0 H ASN A 55 17.636 3.854 -6.476 1.00 0.00 H new ATOM 0 HA ASN A 55 18.922 5.166 -5.191 1.00 0.00 H new ATOM 0 HB2 ASN A 55 16.545 6.995 -4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 55 18.212 7.414 -5.154 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.508 7.032 -8.123 1.00 0.00 H new ATOM 0 HD22 ASN A 55 15.153 7.097 -6.394 1.00 0.00 H new ATOM 800 N GLY A 56 17.631 3.892 -3.023 1.00 0.00 N ATOM 801 CA GLY A 56 17.391 3.594 -1.621 1.00 0.00 C ATOM 802 C GLY A 56 16.901 2.156 -1.442 1.00 0.00 C ATOM 803 O GLY A 56 16.033 1.695 -2.182 1.00 0.00 O ATOM 0 H GLY A 56 17.828 3.077 -3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 56 18.309 3.743 -1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.651 4.287 -1.220 1.00 0.00 H new ATOM 807 N ILE A 57 17.480 1.486 -0.456 1.00 0.00 N ATOM 808 CA ILE A 57 17.113 0.109 -0.171 1.00 0.00 C ATOM 809 C ILE A 57 15.643 0.054 0.247 1.00 0.00 C ATOM 810 O ILE A 57 15.277 0.548 1.312 1.00 0.00 O ATOM 811 CB ILE A 57 18.069 -0.497 0.859 1.00 0.00 C ATOM 812 CG1 ILE A 57 19.376 -0.942 0.200 1.00 0.00 C ATOM 813 CG2 ILE A 57 17.396 -1.638 1.626 1.00 0.00 C ATOM 814 CD1 ILE A 57 19.815 0.055 -0.874 1.00 0.00 C ATOM 0 H ILE A 57 18.200 1.871 0.155 1.00 0.00 H new ATOM 0 HA ILE A 57 17.213 -0.506 -1.066 1.00 0.00 H new ATOM 0 HB ILE A 57 18.322 0.275 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.156 -1.034 0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.246 -1.928 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.096 -2.052 2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.517 -1.258 2.146 1.00 0.00 H new ATOM 0 HG23 ILE A 57 17.095 -2.418 0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.746 -0.285 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.044 0.127 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.968 1.034 -0.421 1.00 0.00 H new ATOM 826 N ILE A 58 14.838 -0.553 -0.614 1.00 0.00 N ATOM 827 CA ILE A 58 13.416 -0.679 -0.347 1.00 0.00 C ATOM 828 C ILE A 58 13.213 -1.420 0.976 1.00 0.00 C ATOM 829 O ILE A 58 13.886 -2.413 1.245 1.00 0.00 O ATOM 830 CB ILE A 58 12.705 -1.334 -1.533 1.00 0.00 C ATOM 831 CG1 ILE A 58 12.976 -0.566 -2.828 1.00 0.00 C ATOM 832 CG2 ILE A 58 11.207 -1.484 -1.259 1.00 0.00 C ATOM 833 CD1 ILE A 58 12.456 0.870 -2.733 1.00 0.00 C ATOM 0 H ILE A 58 15.144 -0.963 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 58 12.961 0.305 -0.235 1.00 0.00 H new ATOM 0 HB ILE A 58 13.111 -2.337 -1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 58 14.047 -0.556 -3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.497 -1.075 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.725 -1.952 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.059 -2.106 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.768 -0.501 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.661 1.394 -3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.381 0.857 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.955 1.384 -1.911 1.00 0.00 H new ATOM 845 N LEU A 59 12.283 -0.907 1.768 1.00 0.00 N ATOM 846 CA LEU A 59 11.983 -1.507 3.057 1.00 0.00 C ATOM 847 C LEU A 59 10.595 -2.148 3.006 1.00 0.00 C ATOM 848 O LEU A 59 10.300 -3.061 3.776 1.00 0.00 O ATOM 849 CB LEU A 59 12.143 -0.477 4.177 1.00 0.00 C ATOM 850 CG LEU A 59 13.410 0.380 4.124 1.00 0.00 C ATOM 851 CD1 LEU A 59 13.374 1.477 5.190 1.00 0.00 C ATOM 852 CD2 LEU A 59 14.665 -0.488 4.237 1.00 0.00 C ATOM 0 H LEU A 59 11.727 -0.082 1.542 1.00 0.00 H new ATOM 0 HA LEU A 59 12.694 -2.302 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.278 0.187 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.123 -1.002 5.132 1.00 0.00 H new ATOM 0 HG LEU A 59 13.448 0.875 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.286 2.072 5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.510 2.120 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 59 13.301 1.022 6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 59 15.551 0.146 4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 59 14.649 -1.029 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.690 -1.200 3.412 1.00 0.00 H new ATOM 864 N ALA A 60 9.779 -1.645 2.091 1.00 0.00 N ATOM 865 CA ALA A 60 8.429 -2.158 1.929 1.00 0.00 C ATOM 866 C ALA A 60 7.683 -1.303 0.903 1.00 0.00 C ATOM 867 O ALA A 60 8.285 -0.468 0.230 1.00 0.00 O ATOM 868 CB ALA A 60 7.726 -2.184 3.288 1.00 0.00 C ATOM 0 H ALA A 60 10.027 -0.888 1.454 1.00 0.00 H new ATOM 0 HA ALA A 60 8.450 -3.181 1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.713 -2.569 3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.279 -2.828 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.684 -1.174 3.695 1.00 0.00 H new ATOM 874 N TYR A 61 6.382 -1.540 0.816 1.00 0.00 N ATOM 875 CA TYR A 61 5.548 -0.803 -0.117 1.00 0.00 C ATOM 876 C TYR A 61 4.181 -0.492 0.497 1.00 0.00 C ATOM 877 O TYR A 61 3.835 -1.025 1.550 1.00 0.00 O ATOM 878 CB TYR A 61 5.354 -1.720 -1.326 1.00 0.00 C ATOM 879 CG TYR A 61 6.505 -1.673 -2.333 1.00 0.00 C ATOM 880 CD1 TYR A 61 7.688 -2.331 -2.060 1.00 0.00 C ATOM 881 CD2 TYR A 61 6.361 -0.974 -3.514 1.00 0.00 C ATOM 882 CE1 TYR A 61 8.771 -2.287 -3.008 1.00 0.00 C ATOM 883 CE2 TYR A 61 7.444 -0.931 -4.462 1.00 0.00 C ATOM 884 CZ TYR A 61 8.596 -1.590 -4.162 1.00 0.00 C ATOM 885 OH TYR A 61 9.619 -1.548 -5.057 1.00 0.00 O ATOM 0 H TYR A 61 5.885 -2.232 1.377 1.00 0.00 H new ATOM 0 HA TYR A 61 6.016 0.145 -0.383 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.233 -2.745 -0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.429 -1.445 -1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.801 -2.878 -1.136 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.436 -0.459 -3.727 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.702 -2.796 -2.807 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.344 -0.388 -5.390 1.00 0.00 H new ATOM 0 HH TYR A 61 10.147 -2.371 -4.990 1.00 0.00 H new ATOM 895 N GLN A 62 3.442 0.368 -0.188 1.00 0.00 N ATOM 896 CA GLN A 62 2.121 0.755 0.277 1.00 0.00 C ATOM 897 C GLN A 62 1.107 0.660 -0.865 1.00 0.00 C ATOM 898 O GLN A 62 1.362 1.143 -1.968 1.00 0.00 O ATOM 899 CB GLN A 62 2.141 2.163 0.876 1.00 0.00 C ATOM 900 CG GLN A 62 0.773 2.533 1.452 1.00 0.00 C ATOM 901 CD GLN A 62 0.824 3.892 2.154 1.00 0.00 C ATOM 902 OE1 GLN A 62 1.873 4.384 2.535 1.00 0.00 O ATOM 903 NE2 GLN A 62 -0.366 4.468 2.304 1.00 0.00 N ATOM 0 H GLN A 62 3.733 0.808 -1.061 1.00 0.00 H new ATOM 0 HA GLN A 62 1.818 0.065 1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.897 2.218 1.660 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.424 2.884 0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.033 2.560 0.652 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.452 1.767 2.158 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.206 4.001 1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.439 5.377 2.762 1.00 0.00 H new ATOM 912 N ILE A 63 -0.021 0.034 -0.563 1.00 0.00 N ATOM 913 CA ILE A 63 -1.074 -0.130 -1.551 1.00 0.00 C ATOM 914 C ILE A 63 -2.374 0.464 -1.007 1.00 0.00 C ATOM 915 O ILE A 63 -3.012 -0.124 -0.135 1.00 0.00 O ATOM 916 CB ILE A 63 -1.194 -1.598 -1.966 1.00 0.00 C ATOM 917 CG1 ILE A 63 -0.711 -1.803 -3.403 1.00 0.00 C ATOM 918 CG2 ILE A 63 -2.622 -2.109 -1.763 1.00 0.00 C ATOM 919 CD1 ILE A 63 0.134 -3.072 -3.522 1.00 0.00 C ATOM 0 H ILE A 63 -0.229 -0.366 0.352 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.831 0.416 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.545 -2.190 -1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.569 -1.869 -4.073 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.125 -0.940 -3.720 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.681 -3.155 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.894 -2.019 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.310 -1.517 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.464 -3.194 -4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.003 -2.993 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.463 -3.935 -3.228 1.00 0.00 H new ATOM 931 N THR A 64 -2.729 1.622 -1.544 1.00 0.00 N ATOM 932 CA THR A 64 -3.942 2.302 -1.124 1.00 0.00 C ATOM 933 C THR A 64 -5.074 2.038 -2.118 1.00 0.00 C ATOM 934 O THR A 64 -4.952 2.352 -3.301 1.00 0.00 O ATOM 935 CB THR A 64 -3.616 3.788 -0.954 1.00 0.00 C ATOM 936 OG1 THR A 64 -3.518 4.276 -2.290 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.222 4.019 -0.369 1.00 0.00 C ATOM 0 H THR A 64 -2.197 2.107 -2.267 1.00 0.00 H new ATOM 0 HA THR A 64 -4.298 1.921 -0.167 1.00 0.00 H new ATOM 0 HB THR A 64 -4.361 4.252 -0.308 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.732 3.555 -2.918 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.042 5.089 -0.269 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.156 3.547 0.611 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.473 3.585 -1.031 1.00 0.00 H new ATOM 945 N HIS A 65 -6.150 1.462 -1.602 1.00 0.00 N ATOM 946 CA HIS A 65 -7.303 1.152 -2.429 1.00 0.00 C ATOM 947 C HIS A 65 -8.511 1.958 -1.949 1.00 0.00 C ATOM 948 O HIS A 65 -8.726 2.105 -0.747 1.00 0.00 O ATOM 949 CB HIS A 65 -7.566 -0.355 -2.451 1.00 0.00 C ATOM 950 CG HIS A 65 -8.245 -0.878 -1.208 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.588 -1.642 -0.259 1.00 0.00 N ATOM 952 CD2 HIS A 65 -9.529 -0.739 -0.768 1.00 0.00 C ATOM 953 CE1 HIS A 65 -8.447 -1.943 0.703 1.00 0.00 C ATOM 954 NE2 HIS A 65 -9.649 -1.383 0.386 1.00 0.00 N ATOM 0 H HIS A 65 -6.247 1.202 -0.621 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.104 1.442 -3.461 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.183 -0.593 -3.317 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.618 -0.877 -2.582 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.315 -0.197 -1.273 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -8.233 -2.529 1.584 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -10.500 -1.448 0.944 1.00 0.00 H new ATOM 962 N ARG A 66 -9.269 2.459 -2.914 1.00 0.00 N ATOM 963 CA ARG A 66 -10.450 3.246 -2.605 1.00 0.00 C ATOM 964 C ARG A 66 -11.391 3.287 -3.811 1.00 0.00 C ATOM 965 O ARG A 66 -10.950 3.156 -4.952 1.00 0.00 O ATOM 966 CB ARG A 66 -10.073 4.676 -2.213 1.00 0.00 C ATOM 967 CG ARG A 66 -9.693 5.500 -3.445 1.00 0.00 C ATOM 968 CD ARG A 66 -9.076 6.840 -3.039 1.00 0.00 C ATOM 969 NE ARG A 66 -8.398 7.458 -4.200 1.00 0.00 N ATOM 970 CZ ARG A 66 -7.839 8.675 -4.184 1.00 0.00 C ATOM 971 NH1 ARG A 66 -7.873 9.413 -3.066 1.00 0.00 N ATOM 972 NH2 ARG A 66 -7.245 9.155 -5.285 1.00 0.00 N ATOM 0 H ARG A 66 -9.088 2.335 -3.910 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.953 2.771 -1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.910 5.149 -1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.238 4.657 -1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.986 4.940 -4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.577 5.674 -4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.851 7.507 -2.663 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.363 6.691 -2.228 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.354 6.923 -5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.325 9.048 -2.227 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.447 10.340 -3.054 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.218 8.593 -6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.820 10.082 -5.272 1.00 0.00 H new ATOM 986 N LEU A 67 -12.670 3.470 -3.517 1.00 0.00 N ATOM 987 CA LEU A 67 -13.677 3.530 -4.563 1.00 0.00 C ATOM 988 C LEU A 67 -13.634 4.907 -5.228 1.00 0.00 C ATOM 989 O LEU A 67 -14.020 5.906 -4.622 1.00 0.00 O ATOM 990 CB LEU A 67 -15.052 3.159 -4.005 1.00 0.00 C ATOM 991 CG LEU A 67 -15.536 1.738 -4.301 1.00 0.00 C ATOM 992 CD1 LEU A 67 -17.014 1.575 -3.942 1.00 0.00 C ATOM 993 CD2 LEU A 67 -15.254 1.355 -5.755 1.00 0.00 C ATOM 0 H LEU A 67 -13.032 3.579 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.465 2.794 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.032 3.297 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.785 3.861 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.974 1.048 -3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.332 0.556 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.155 1.777 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.610 2.275 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.608 0.341 -5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.772 2.046 -6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -14.182 1.405 -5.943 1.00 0.00 H new ATOM 1139 N GLU A 78 -2.645 -0.511 2.782 1.00 0.00 N ATOM 1140 CA GLU A 78 -1.944 -1.632 3.386 1.00 0.00 C ATOM 1141 C GLU A 78 -0.459 -1.589 3.021 1.00 0.00 C ATOM 1142 O GLU A 78 -0.106 -1.341 1.869 1.00 0.00 O ATOM 1143 CB GLU A 78 -2.573 -2.962 2.966 1.00 0.00 C ATOM 1144 CG GLU A 78 -1.631 -4.131 3.259 1.00 0.00 C ATOM 1145 CD GLU A 78 -2.377 -5.281 3.938 1.00 0.00 C ATOM 1146 OE1 GLU A 78 -3.258 -4.973 4.770 1.00 0.00 O ATOM 1147 OE2 GLU A 78 -2.051 -6.442 3.609 1.00 0.00 O ATOM 0 HA GLU A 78 -2.034 -1.550 4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.514 -3.107 3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.808 -2.937 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.182 -4.483 2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.816 -3.794 3.899 1.00 0.00 H new ATOM 1154 N VAL A 79 0.371 -1.834 4.024 1.00 0.00 N ATOM 1155 CA VAL A 79 1.810 -1.826 3.824 1.00 0.00 C ATOM 1156 C VAL A 79 2.276 -3.233 3.442 1.00 0.00 C ATOM 1157 O VAL A 79 1.924 -4.207 4.105 1.00 0.00 O ATOM 1158 CB VAL A 79 2.510 -1.282 5.071 1.00 0.00 C ATOM 1159 CG1 VAL A 79 3.873 -1.948 5.269 1.00 0.00 C ATOM 1160 CG2 VAL A 79 2.647 0.240 5.003 1.00 0.00 C ATOM 0 H VAL A 79 0.074 -2.039 4.978 1.00 0.00 H new ATOM 0 HA VAL A 79 2.077 -1.161 3.003 1.00 0.00 H new ATOM 0 HB VAL A 79 1.891 -1.524 5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.349 -1.543 6.162 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.739 -3.024 5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.503 -1.752 4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.148 0.601 5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.233 0.514 4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.657 0.692 4.933 1.00 0.00 H new ATOM 1170 N LEU A 80 3.059 -3.294 2.376 1.00 0.00 N ATOM 1171 CA LEU A 80 3.576 -4.565 1.898 1.00 0.00 C ATOM 1172 C LEU A 80 5.081 -4.630 2.164 1.00 0.00 C ATOM 1173 O LEU A 80 5.690 -3.637 2.558 1.00 0.00 O ATOM 1174 CB LEU A 80 3.201 -4.779 0.431 1.00 0.00 C ATOM 1175 CG LEU A 80 1.728 -5.089 0.153 1.00 0.00 C ATOM 1176 CD1 LEU A 80 1.223 -4.309 -1.062 1.00 0.00 C ATOM 1177 CD2 LEU A 80 1.504 -6.595 0.002 1.00 0.00 C ATOM 0 H LEU A 80 3.348 -2.483 1.829 1.00 0.00 H new ATOM 0 HA LEU A 80 3.119 -5.391 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.475 -3.884 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.804 -5.597 0.038 1.00 0.00 H new ATOM 0 HG LEU A 80 1.142 -4.761 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.174 -4.548 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.326 -3.240 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.809 -4.583 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.449 -6.788 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.103 -6.971 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.800 -7.101 0.921 1.00 0.00 H new ATOM 1189 N ALA A 81 5.639 -5.811 1.937 1.00 0.00 N ATOM 1190 CA ALA A 81 7.062 -6.019 2.147 1.00 0.00 C ATOM 1191 C ALA A 81 7.840 -5.410 0.978 1.00 0.00 C ATOM 1192 O ALA A 81 7.253 -5.040 -0.037 1.00 0.00 O ATOM 1193 CB ALA A 81 7.340 -7.514 2.317 1.00 0.00 C ATOM 0 H ALA A 81 5.131 -6.633 1.610 1.00 0.00 H new ATOM 0 HA ALA A 81 7.393 -5.521 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.407 -7.670 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.787 -7.891 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.024 -8.047 1.420 1.00 0.00 H new ATOM 1199 N PRO A 82 9.184 -5.323 1.166 1.00 0.00 N ATOM 1200 CA PRO A 82 10.048 -4.765 0.139 1.00 0.00 C ATOM 1201 C PRO A 82 10.238 -5.754 -1.013 1.00 0.00 C ATOM 1202 O PRO A 82 10.828 -5.412 -2.037 1.00 0.00 O ATOM 1203 CB PRO A 82 11.346 -4.432 0.857 1.00 0.00 C ATOM 1204 CG PRO A 82 11.329 -5.237 2.146 1.00 0.00 C ATOM 1205 CD PRO A 82 9.914 -5.750 2.356 1.00 0.00 C ATOM 0 HA PRO A 82 9.627 -3.875 -0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.209 -4.694 0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.414 -3.364 1.065 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.032 -6.068 2.086 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.639 -4.617 2.987 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.898 -6.835 2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.472 -5.334 3.262 1.00 0.00 H new ATOM 1213 N SER A 83 9.728 -6.959 -0.807 1.00 0.00 N ATOM 1214 CA SER A 83 9.834 -7.999 -1.816 1.00 0.00 C ATOM 1215 C SER A 83 8.442 -8.376 -2.328 1.00 0.00 C ATOM 1216 O SER A 83 8.189 -9.536 -2.649 1.00 0.00 O ATOM 1217 CB SER A 83 10.548 -9.233 -1.262 1.00 0.00 C ATOM 1218 OG SER A 83 9.804 -9.857 -0.219 1.00 0.00 O ATOM 0 H SER A 83 9.240 -7.239 0.044 1.00 0.00 H new ATOM 0 HA SER A 83 10.426 -7.612 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.713 -9.948 -2.068 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.529 -8.945 -0.885 1.00 0.00 H new ATOM 0 HG SER A 83 10.292 -10.642 0.107 1.00 0.00 H new ATOM 1224 N ALA A 84 7.577 -7.374 -2.387 1.00 0.00 N ATOM 1225 CA ALA A 84 6.218 -7.586 -2.854 1.00 0.00 C ATOM 1226 C ALA A 84 6.097 -7.097 -4.299 1.00 0.00 C ATOM 1227 O ALA A 84 6.328 -5.922 -4.581 1.00 0.00 O ATOM 1228 CB ALA A 84 5.239 -6.878 -1.915 1.00 0.00 C ATOM 0 H ALA A 84 7.791 -6.413 -2.119 1.00 0.00 H new ATOM 0 HA ALA A 84 5.970 -8.647 -2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.219 -7.037 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.344 -7.282 -0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.456 -5.810 -1.902 1.00 0.00 H new ATOM 1234 N ARG A 85 5.737 -8.022 -5.176 1.00 0.00 N ATOM 1235 CA ARG A 85 5.583 -7.700 -6.584 1.00 0.00 C ATOM 1236 C ARG A 85 4.100 -7.608 -6.949 1.00 0.00 C ATOM 1237 O ARG A 85 3.749 -7.107 -8.016 1.00 0.00 O ATOM 1238 CB ARG A 85 6.254 -8.754 -7.467 1.00 0.00 C ATOM 1239 CG ARG A 85 7.137 -8.098 -8.530 1.00 0.00 C ATOM 1240 CD ARG A 85 6.448 -8.104 -9.896 1.00 0.00 C ATOM 1241 NE ARG A 85 6.843 -9.310 -10.657 1.00 0.00 N ATOM 1242 CZ ARG A 85 6.320 -9.656 -11.841 1.00 0.00 C ATOM 1243 NH1 ARG A 85 5.378 -8.890 -12.407 1.00 0.00 N ATOM 1244 NH2 ARG A 85 6.740 -10.769 -12.459 1.00 0.00 N ATOM 0 H ARG A 85 5.547 -8.996 -4.938 1.00 0.00 H new ATOM 0 HA ARG A 85 6.064 -6.737 -6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.856 -9.421 -6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.493 -9.367 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.363 -7.073 -8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.087 -8.628 -8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.366 -8.084 -9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.719 -7.207 -10.453 1.00 0.00 H new ATOM 0 HE ARG A 85 7.558 -9.916 -10.255 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.059 -8.043 -11.937 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.980 -9.154 -13.308 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.457 -11.352 -12.028 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.342 -11.033 -13.360 1.00 0.00 H new ATOM 1258 N GLN A 86 3.269 -8.099 -6.041 1.00 0.00 N ATOM 1259 CA GLN A 86 1.832 -8.078 -6.254 1.00 0.00 C ATOM 1260 C GLN A 86 1.096 -8.078 -4.912 1.00 0.00 C ATOM 1261 O GLN A 86 1.691 -8.366 -3.874 1.00 0.00 O ATOM 1262 CB GLN A 86 1.389 -9.258 -7.122 1.00 0.00 C ATOM 1263 CG GLN A 86 1.667 -10.589 -6.420 1.00 0.00 C ATOM 1264 CD GLN A 86 1.840 -11.719 -7.437 1.00 0.00 C ATOM 1265 OE1 GLN A 86 1.382 -11.649 -8.566 1.00 0.00 O ATOM 1266 NE2 GLN A 86 2.525 -12.762 -6.976 1.00 0.00 N ATOM 0 H GLN A 86 3.563 -8.513 -5.157 1.00 0.00 H new ATOM 0 HA GLN A 86 1.577 -7.162 -6.786 1.00 0.00 H new ATOM 0 HB2 GLN A 86 0.325 -9.174 -7.341 1.00 0.00 H new ATOM 0 HB3 GLN A 86 1.914 -9.229 -8.077 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.567 -10.502 -5.811 1.00 0.00 H new ATOM 0 HG3 GLN A 86 0.846 -10.826 -5.744 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.881 -12.756 -6.020 1.00 0.00 H new ATOM 0 HE22 GLN A 86 2.694 -13.567 -7.578 1.00 0.00 H new ATOM 1275 N TYR A 87 -0.186 -7.752 -4.976 1.00 0.00 N ATOM 1276 CA TYR A 87 -1.009 -7.710 -3.779 1.00 0.00 C ATOM 1277 C TYR A 87 -2.430 -8.195 -4.073 1.00 0.00 C ATOM 1278 O TYR A 87 -2.907 -8.084 -5.202 1.00 0.00 O ATOM 1279 CB TYR A 87 -1.062 -6.241 -3.355 1.00 0.00 C ATOM 1280 CG TYR A 87 -2.097 -5.945 -2.268 1.00 0.00 C ATOM 1281 CD1 TYR A 87 -1.843 -6.296 -0.958 1.00 0.00 C ATOM 1282 CD2 TYR A 87 -3.285 -5.325 -2.599 1.00 0.00 C ATOM 1283 CE1 TYR A 87 -2.818 -6.017 0.064 1.00 0.00 C ATOM 1284 CE2 TYR A 87 -4.260 -5.046 -1.576 1.00 0.00 C ATOM 1285 CZ TYR A 87 -3.978 -5.405 -0.295 1.00 0.00 C ATOM 1286 OH TYR A 87 -4.899 -5.141 0.670 1.00 0.00 O ATOM 0 H TYR A 87 -0.676 -7.514 -5.839 1.00 0.00 H new ATOM 0 HA TYR A 87 -0.593 -8.354 -3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.077 -5.941 -2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -1.283 -5.629 -4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.913 -6.780 -0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.483 -5.049 -3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.632 -6.288 1.093 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.194 -4.562 -1.821 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.677 -4.701 0.268 1.00 0.00 H new ATOM 1296 N THR A 88 -3.067 -8.723 -3.038 1.00 0.00 N ATOM 1297 CA THR A 88 -4.423 -9.226 -3.172 1.00 0.00 C ATOM 1298 C THR A 88 -5.386 -8.394 -2.321 1.00 0.00 C ATOM 1299 O THR A 88 -5.145 -8.181 -1.134 1.00 0.00 O ATOM 1300 CB THR A 88 -4.416 -10.711 -2.804 1.00 0.00 C ATOM 1301 OG1 THR A 88 -3.492 -11.291 -3.722 1.00 0.00 O ATOM 1302 CG2 THR A 88 -5.743 -11.400 -3.126 1.00 0.00 C ATOM 0 H THR A 88 -2.669 -8.813 -2.103 1.00 0.00 H new ATOM 0 HA THR A 88 -4.780 -9.133 -4.198 1.00 0.00 H new ATOM 0 HB THR A 88 -4.199 -10.821 -1.742 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.424 -12.254 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.684 -12.452 -2.846 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.547 -10.920 -2.568 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.945 -11.320 -4.194 1.00 0.00 H new ATOM 1310 N ALA A 89 -6.456 -7.947 -2.962 1.00 0.00 N ATOM 1311 CA ALA A 89 -7.456 -7.144 -2.279 1.00 0.00 C ATOM 1312 C ALA A 89 -8.687 -8.005 -1.993 1.00 0.00 C ATOM 1313 O ALA A 89 -9.091 -8.814 -2.827 1.00 0.00 O ATOM 1314 CB ALA A 89 -7.788 -5.914 -3.126 1.00 0.00 C ATOM 0 H ALA A 89 -6.652 -8.126 -3.947 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.074 -6.788 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.538 -5.311 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.886 -5.321 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.177 -6.232 -4.093 1.00 0.00 H new ATOM 1320 N THR A 90 -9.250 -7.803 -0.810 1.00 0.00 N ATOM 1321 CA THR A 90 -10.427 -8.551 -0.404 1.00 0.00 C ATOM 1322 C THR A 90 -11.359 -7.668 0.429 1.00 0.00 C ATOM 1323 O THR A 90 -10.905 -6.935 1.306 1.00 0.00 O ATOM 1324 CB THR A 90 -9.958 -9.806 0.336 1.00 0.00 C ATOM 1325 OG1 THR A 90 -8.917 -9.337 1.189 1.00 0.00 O ATOM 1326 CG2 THR A 90 -9.260 -10.804 -0.590 1.00 0.00 C ATOM 0 H THR A 90 -8.912 -7.132 -0.120 1.00 0.00 H new ATOM 0 HA THR A 90 -11.013 -8.865 -1.268 1.00 0.00 H new ATOM 0 HB THR A 90 -10.812 -10.288 0.812 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.557 -10.086 1.708 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.947 -11.676 -0.016 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.949 -11.115 -1.375 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.386 -10.333 -1.040 1.00 0.00 H new ATOM 1334 N GLY A 91 -12.644 -7.767 0.124 1.00 0.00 N ATOM 1335 CA GLY A 91 -13.644 -6.987 0.832 1.00 0.00 C ATOM 1336 C GLY A 91 -13.929 -5.671 0.106 1.00 0.00 C ATOM 1337 O GLY A 91 -13.928 -4.605 0.720 1.00 0.00 O ATOM 0 H GLY A 91 -13.016 -8.376 -0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.564 -7.564 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.299 -6.780 1.845 1.00 0.00 H new ATOM 1341 N LEU A 92 -14.166 -5.788 -1.192 1.00 0.00 N ATOM 1342 CA LEU A 92 -14.452 -4.621 -2.010 1.00 0.00 C ATOM 1343 C LEU A 92 -15.885 -4.712 -2.537 1.00 0.00 C ATOM 1344 O LEU A 92 -16.510 -5.769 -2.467 1.00 0.00 O ATOM 1345 CB LEU A 92 -13.400 -4.467 -3.110 1.00 0.00 C ATOM 1346 CG LEU A 92 -11.954 -4.755 -2.702 1.00 0.00 C ATOM 1347 CD1 LEU A 92 -11.107 -5.139 -3.916 1.00 0.00 C ATOM 1348 CD2 LEU A 92 -11.356 -3.574 -1.935 1.00 0.00 C ATOM 0 H LEU A 92 -14.166 -6.674 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 92 -14.389 -3.712 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.664 -5.132 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.452 -3.448 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.953 -5.611 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.084 -5.338 -3.597 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.523 -6.033 -4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.110 -4.320 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.328 -3.804 -1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.371 -2.685 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -11.943 -3.390 -1.035 1.00 0.00 H new ATOM 1360 N LYS A 93 -16.364 -3.589 -3.052 1.00 0.00 N ATOM 1361 CA LYS A 93 -17.713 -3.528 -3.591 1.00 0.00 C ATOM 1362 C LYS A 93 -17.671 -3.819 -5.092 1.00 0.00 C ATOM 1363 O LYS A 93 -16.913 -3.191 -5.829 1.00 0.00 O ATOM 1364 CB LYS A 93 -18.369 -2.191 -3.242 1.00 0.00 C ATOM 1365 CG LYS A 93 -19.782 -2.106 -3.822 1.00 0.00 C ATOM 1366 CD LYS A 93 -20.019 -0.751 -4.492 1.00 0.00 C ATOM 1367 CE LYS A 93 -19.866 0.392 -3.487 1.00 0.00 C ATOM 1368 NZ LYS A 93 -21.138 0.624 -2.768 1.00 0.00 N ATOM 0 H LYS A 93 -15.843 -2.714 -3.108 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.341 -4.293 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -18.409 -2.073 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -17.763 -1.372 -3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -19.930 -2.905 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -20.514 -2.257 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -19.312 -0.617 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -21.018 -0.726 -4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -19.077 0.154 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -19.563 1.302 -4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -21.016 1.403 -2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -21.882 0.872 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -21.411 -0.240 -2.257 1.00 0.00 H new ATOM 1382 N PRO A 94 -18.517 -4.798 -5.511 1.00 0.00 N ATOM 1383 CA PRO A 94 -18.584 -5.180 -6.912 1.00 0.00 C ATOM 1384 C PRO A 94 -19.336 -4.130 -7.731 1.00 0.00 C ATOM 1385 O PRO A 94 -20.140 -3.373 -7.189 1.00 0.00 O ATOM 1386 CB PRO A 94 -19.266 -6.539 -6.917 1.00 0.00 C ATOM 1387 CG PRO A 94 -19.970 -6.656 -5.575 1.00 0.00 C ATOM 1388 CD PRO A 94 -19.429 -5.564 -4.667 1.00 0.00 C ATOM 0 HA PRO A 94 -17.601 -5.241 -7.379 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -19.977 -6.616 -7.739 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -18.539 -7.341 -7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -21.048 -6.550 -5.699 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.795 -7.638 -5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -20.232 -4.936 -4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.911 -5.986 -3.806 1.00 0.00 H new ATOM 1396 N GLU A 95 -19.050 -4.119 -9.025 1.00 0.00 N ATOM 1397 CA GLU A 95 -19.690 -3.174 -9.925 1.00 0.00 C ATOM 1398 C GLU A 95 -19.280 -1.743 -9.571 1.00 0.00 C ATOM 1399 O GLU A 95 -20.132 -0.897 -9.306 1.00 0.00 O ATOM 1400 CB GLU A 95 -21.211 -3.332 -9.894 1.00 0.00 C ATOM 1401 CG GLU A 95 -21.670 -4.415 -10.872 1.00 0.00 C ATOM 1402 CD GLU A 95 -22.291 -3.794 -12.125 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -23.355 -3.156 -11.975 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -21.687 -3.972 -13.205 1.00 0.00 O ATOM 0 H GLU A 95 -18.384 -4.749 -9.472 1.00 0.00 H new ATOM 0 HA GLU A 95 -19.356 -3.386 -10.941 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -21.533 -3.588 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -21.684 -2.383 -10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -20.822 -5.039 -11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -22.397 -5.065 -10.385 1.00 0.00 H new ATOM 1411 N SER A 96 -17.974 -1.517 -9.580 1.00 0.00 N ATOM 1412 CA SER A 96 -17.441 -0.203 -9.263 1.00 0.00 C ATOM 1413 C SER A 96 -15.983 -0.107 -9.716 1.00 0.00 C ATOM 1414 O SER A 96 -15.460 -1.031 -10.338 1.00 0.00 O ATOM 1415 CB SER A 96 -17.552 0.091 -7.766 1.00 0.00 C ATOM 1416 OG SER A 96 -18.907 0.125 -7.327 1.00 0.00 O ATOM 0 H SER A 96 -17.270 -2.221 -9.802 1.00 0.00 H new ATOM 0 HA SER A 96 -18.031 0.543 -9.796 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.009 -0.670 -7.206 1.00 0.00 H new ATOM 0 HB3 SER A 96 -17.076 1.047 -7.548 1.00 0.00 H new ATOM 0 HG SER A 96 -19.503 0.109 -8.105 1.00 0.00 H new ATOM 1422 N VAL A 97 -15.367 1.020 -9.388 1.00 0.00 N ATOM 1423 CA VAL A 97 -13.980 1.248 -9.754 1.00 0.00 C ATOM 1424 C VAL A 97 -13.166 1.543 -8.492 1.00 0.00 C ATOM 1425 O VAL A 97 -13.625 2.266 -7.609 1.00 0.00 O ATOM 1426 CB VAL A 97 -13.890 2.363 -10.797 1.00 0.00 C ATOM 1427 CG1 VAL A 97 -12.500 2.407 -11.435 1.00 0.00 C ATOM 1428 CG2 VAL A 97 -14.977 2.206 -11.862 1.00 0.00 C ATOM 0 H VAL A 97 -15.803 1.785 -8.873 1.00 0.00 H new ATOM 0 HA VAL A 97 -13.555 0.356 -10.214 1.00 0.00 H new ATOM 0 HB VAL A 97 -14.054 3.312 -10.287 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -12.463 3.209 -12.173 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.751 2.589 -10.664 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -12.294 1.455 -11.923 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -14.891 3.011 -12.591 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -14.858 1.246 -12.365 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -15.958 2.248 -11.389 1.00 0.00 H new ATOM 1438 N TYR A 98 -11.973 0.968 -8.447 1.00 0.00 N ATOM 1439 CA TYR A 98 -11.092 1.161 -7.308 1.00 0.00 C ATOM 1440 C TYR A 98 -9.715 1.653 -7.758 1.00 0.00 C ATOM 1441 O TYR A 98 -9.136 1.114 -8.700 1.00 0.00 O ATOM 1442 CB TYR A 98 -10.941 -0.214 -6.655 1.00 0.00 C ATOM 1443 CG TYR A 98 -12.041 -0.548 -5.646 1.00 0.00 C ATOM 1444 CD1 TYR A 98 -13.245 -1.062 -6.082 1.00 0.00 C ATOM 1445 CD2 TYR A 98 -11.829 -0.336 -4.298 1.00 0.00 C ATOM 1446 CE1 TYR A 98 -14.281 -1.376 -5.132 1.00 0.00 C ATOM 1447 CE2 TYR A 98 -12.865 -0.650 -3.348 1.00 0.00 C ATOM 1448 CZ TYR A 98 -14.039 -1.155 -3.812 1.00 0.00 C ATOM 1449 OH TYR A 98 -15.018 -1.451 -2.915 1.00 0.00 O ATOM 0 H TYR A 98 -11.596 0.368 -9.181 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.503 1.905 -6.626 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.934 -0.976 -7.434 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.975 -0.262 -6.153 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -13.411 -1.229 -7.136 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.886 0.065 -3.956 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -15.228 -1.778 -5.460 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.713 -0.488 -2.291 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.706 -1.244 -2.010 1.00 0.00 H new ATOM 1459 N LEU A 99 -9.229 2.671 -7.062 1.00 0.00 N ATOM 1460 CA LEU A 99 -7.931 3.242 -7.378 1.00 0.00 C ATOM 1461 C LEU A 99 -6.868 2.610 -6.476 1.00 0.00 C ATOM 1462 O LEU A 99 -6.957 2.697 -5.252 1.00 0.00 O ATOM 1463 CB LEU A 99 -7.982 4.768 -7.293 1.00 0.00 C ATOM 1464 CG LEU A 99 -6.636 5.490 -7.384 1.00 0.00 C ATOM 1465 CD1 LEU A 99 -5.901 5.452 -6.042 1.00 0.00 C ATOM 1466 CD2 LEU A 99 -5.784 4.921 -8.520 1.00 0.00 C ATOM 0 H LEU A 99 -9.711 3.115 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.654 3.013 -8.407 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -8.624 5.135 -8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.457 5.044 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.826 6.538 -7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.948 5.972 -6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.509 5.941 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.723 4.416 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.833 5.452 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.601 3.861 -8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.311 5.044 -9.466 1.00 0.00 H new ATOM 1478 N PHE A 100 -5.888 1.989 -7.115 1.00 0.00 N ATOM 1479 CA PHE A 100 -4.810 1.344 -6.386 1.00 0.00 C ATOM 1480 C PHE A 100 -3.510 2.141 -6.510 1.00 0.00 C ATOM 1481 O PHE A 100 -2.935 2.233 -7.594 1.00 0.00 O ATOM 1482 CB PHE A 100 -4.609 -0.037 -7.013 1.00 0.00 C ATOM 1483 CG PHE A 100 -5.663 -1.067 -6.601 1.00 0.00 C ATOM 1484 CD1 PHE A 100 -6.932 -0.970 -7.080 1.00 0.00 C ATOM 1485 CD2 PHE A 100 -5.331 -2.078 -5.755 1.00 0.00 C ATOM 1486 CE1 PHE A 100 -7.910 -1.926 -6.697 1.00 0.00 C ATOM 1487 CE2 PHE A 100 -6.308 -3.034 -5.372 1.00 0.00 C ATOM 1488 CZ PHE A 100 -7.578 -2.938 -5.851 1.00 0.00 C ATOM 0 H PHE A 100 -5.818 1.919 -8.130 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.065 1.278 -5.328 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.619 0.063 -8.098 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.623 -0.410 -6.736 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -7.196 -0.166 -7.751 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.323 -2.154 -5.374 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.918 -1.849 -7.078 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.043 -3.837 -4.701 1.00 0.00 H new ATOM 0 HZ PHE A 100 -8.322 -3.665 -5.560 1.00 0.00 H new ATOM 1498 N ARG A 101 -3.084 2.697 -5.385 1.00 0.00 N ATOM 1499 CA ARG A 101 -1.863 3.484 -5.355 1.00 0.00 C ATOM 1500 C ARG A 101 -0.728 2.677 -4.721 1.00 0.00 C ATOM 1501 O ARG A 101 -0.781 2.347 -3.537 1.00 0.00 O ATOM 1502 CB ARG A 101 -2.061 4.779 -4.565 1.00 0.00 C ATOM 1503 CG ARG A 101 -1.319 5.943 -5.225 1.00 0.00 C ATOM 1504 CD ARG A 101 -2.067 7.260 -5.013 1.00 0.00 C ATOM 1505 NE ARG A 101 -2.225 7.525 -3.565 1.00 0.00 N ATOM 1506 CZ ARG A 101 -1.307 8.143 -2.810 1.00 0.00 C ATOM 1507 NH1 ARG A 101 -0.160 8.564 -3.360 1.00 0.00 N ATOM 1508 NH2 ARG A 101 -1.536 8.341 -1.505 1.00 0.00 N ATOM 0 H ARG A 101 -3.563 2.618 -4.488 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.605 3.736 -6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.124 5.011 -4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -1.701 4.645 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.314 6.020 -4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.209 5.751 -6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.521 8.078 -5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -3.045 7.213 -5.491 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.087 7.218 -3.114 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.014 8.414 -4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.539 9.035 -2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.409 8.021 -1.086 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.837 8.812 -0.930 1.00 0.00 H new ATOM 1522 N ILE A 102 0.273 2.382 -5.538 1.00 0.00 N ATOM 1523 CA ILE A 102 1.419 1.620 -5.072 1.00 0.00 C ATOM 1524 C ILE A 102 2.557 2.581 -4.720 1.00 0.00 C ATOM 1525 O ILE A 102 2.789 3.559 -5.428 1.00 0.00 O ATOM 1526 CB ILE A 102 1.809 0.556 -6.100 1.00 0.00 C ATOM 1527 CG1 ILE A 102 0.714 -0.504 -6.235 1.00 0.00 C ATOM 1528 CG2 ILE A 102 3.167 -0.063 -5.761 1.00 0.00 C ATOM 1529 CD1 ILE A 102 0.727 -1.132 -7.630 1.00 0.00 C ATOM 0 H ILE A 102 0.314 2.657 -6.519 1.00 0.00 H new ATOM 0 HA ILE A 102 1.169 1.075 -4.162 1.00 0.00 H new ATOM 0 HB ILE A 102 1.909 1.041 -7.071 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.858 -1.279 -5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.260 -0.052 -6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.420 -0.816 -6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.931 0.715 -5.757 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.119 -0.529 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.061 -1.882 -7.699 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.558 -0.358 -8.379 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.693 -1.604 -7.808 1.00 0.00 H new ATOM 1541 N THR A 103 3.236 2.268 -3.626 1.00 0.00 N ATOM 1542 CA THR A 103 4.343 3.092 -3.172 1.00 0.00 C ATOM 1543 C THR A 103 5.401 2.229 -2.482 1.00 0.00 C ATOM 1544 O THR A 103 5.114 1.113 -2.051 1.00 0.00 O ATOM 1545 CB THR A 103 3.776 4.193 -2.273 1.00 0.00 C ATOM 1546 OG1 THR A 103 2.629 4.660 -2.978 1.00 0.00 O ATOM 1547 CG2 THR A 103 4.691 5.416 -2.197 1.00 0.00 C ATOM 0 H THR A 103 3.041 1.455 -3.041 1.00 0.00 H new ATOM 0 HA THR A 103 4.852 3.568 -4.010 1.00 0.00 H new ATOM 0 HB THR A 103 3.617 3.797 -1.270 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.110 5.258 -2.400 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.242 6.167 -1.547 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.660 5.121 -1.795 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.824 5.833 -3.195 1.00 0.00 H new ATOM 1555 N ALA A 104 6.604 2.779 -2.398 1.00 0.00 N ATOM 1556 CA ALA A 104 7.707 2.074 -1.767 1.00 0.00 C ATOM 1557 C ALA A 104 8.093 2.792 -0.473 1.00 0.00 C ATOM 1558 O ALA A 104 7.768 3.964 -0.289 1.00 0.00 O ATOM 1559 CB ALA A 104 8.876 1.972 -2.749 1.00 0.00 C ATOM 0 H ALA A 104 6.839 3.705 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 104 7.413 1.058 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.703 1.443 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.558 1.427 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.200 2.973 -3.034 1.00 0.00 H new ATOM 1565 N GLN A 105 8.781 2.060 0.391 1.00 0.00 N ATOM 1566 CA GLN A 105 9.215 2.613 1.662 1.00 0.00 C ATOM 1567 C GLN A 105 10.730 2.469 1.815 1.00 0.00 C ATOM 1568 O GLN A 105 11.257 1.357 1.790 1.00 0.00 O ATOM 1569 CB GLN A 105 8.480 1.948 2.828 1.00 0.00 C ATOM 1570 CG GLN A 105 9.077 2.380 4.170 1.00 0.00 C ATOM 1571 CD GLN A 105 7.996 2.946 5.093 1.00 0.00 C ATOM 1572 OE1 GLN A 105 7.811 4.147 5.211 1.00 0.00 O ATOM 1573 NE2 GLN A 105 7.296 2.019 5.739 1.00 0.00 N ATOM 0 H GLN A 105 9.049 1.088 0.235 1.00 0.00 H new ATOM 0 HA GLN A 105 8.968 3.675 1.677 1.00 0.00 H new ATOM 0 HB2 GLN A 105 7.423 2.212 2.794 1.00 0.00 H new ATOM 0 HB3 GLN A 105 8.541 0.864 2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 105 9.560 1.528 4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 105 9.849 3.132 4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.503 1.031 5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.552 2.296 6.380 1.00 0.00 H new ATOM 1582 N THR A 106 11.389 3.608 1.969 1.00 0.00 N ATOM 1583 CA THR A 106 12.833 3.622 2.125 1.00 0.00 C ATOM 1584 C THR A 106 13.222 4.329 3.425 1.00 0.00 C ATOM 1585 O THR A 106 12.367 4.604 4.266 1.00 0.00 O ATOM 1586 CB THR A 106 13.437 4.270 0.878 1.00 0.00 C ATOM 1587 OG1 THR A 106 12.509 5.295 0.535 1.00 0.00 O ATOM 1588 CG2 THR A 106 13.423 3.334 -0.333 1.00 0.00 C ATOM 0 H THR A 106 10.949 4.528 1.989 1.00 0.00 H new ATOM 0 HA THR A 106 13.231 2.611 2.209 1.00 0.00 H new ATOM 0 HB THR A 106 14.462 4.576 1.088 1.00 0.00 H new ATOM 0 HG1 THR A 106 12.959 6.165 0.560 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.863 3.843 -1.191 1.00 0.00 H new ATOM 0 HG22 THR A 106 14.001 2.438 -0.107 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.395 3.054 -0.565 1.00 0.00 H new ATOM 1596 N ARG A 107 14.512 4.603 3.550 1.00 0.00 N ATOM 1597 CA ARG A 107 15.025 5.272 4.733 1.00 0.00 C ATOM 1598 C ARG A 107 14.736 6.773 4.660 1.00 0.00 C ATOM 1599 O ARG A 107 15.134 7.529 5.546 1.00 0.00 O ATOM 1600 CB ARG A 107 16.532 5.056 4.879 1.00 0.00 C ATOM 1601 CG ARG A 107 17.291 5.673 3.702 1.00 0.00 C ATOM 1602 CD ARG A 107 18.613 4.941 3.458 1.00 0.00 C ATOM 1603 NE ARG A 107 19.712 5.631 4.169 1.00 0.00 N ATOM 1604 CZ ARG A 107 20.951 5.138 4.296 1.00 0.00 C ATOM 1605 NH1 ARG A 107 21.256 3.948 3.760 1.00 0.00 N ATOM 1606 NH2 ARG A 107 21.885 5.834 4.959 1.00 0.00 N ATOM 0 H ARG A 107 15.218 4.373 2.851 1.00 0.00 H new ATOM 0 HA ARG A 107 14.523 4.843 5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.878 5.500 5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.746 3.989 4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.675 5.628 2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 107 17.486 6.727 3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.536 3.910 3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 107 18.826 4.905 2.390 1.00 0.00 H new ATOM 0 HE ARG A 107 19.514 6.539 4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 107 20.545 3.418 3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 107 22.199 3.572 3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 107 21.652 6.739 5.367 1.00 0.00 H new ATOM 0 HH22 ARG A 107 22.828 5.458 5.056 1.00 0.00 H new ATOM 1620 N LYS A 108 14.048 7.160 3.597 1.00 0.00 N ATOM 1621 CA LYS A 108 13.702 8.558 3.397 1.00 0.00 C ATOM 1622 C LYS A 108 12.230 8.770 3.757 1.00 0.00 C ATOM 1623 O LYS A 108 11.891 9.721 4.460 1.00 0.00 O ATOM 1624 CB LYS A 108 14.058 9.000 1.976 1.00 0.00 C ATOM 1625 CG LYS A 108 15.508 9.483 1.900 1.00 0.00 C ATOM 1626 CD LYS A 108 16.461 8.316 1.636 1.00 0.00 C ATOM 1627 CE LYS A 108 15.993 7.484 0.441 1.00 0.00 C ATOM 1628 NZ LYS A 108 17.137 6.785 -0.185 1.00 0.00 N ATOM 0 H LYS A 108 13.720 6.531 2.864 1.00 0.00 H new ATOM 0 HA LYS A 108 14.288 9.195 4.060 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.911 8.170 1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.387 9.800 1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 108 15.607 10.225 1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.780 9.976 2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.465 8.697 1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.522 7.684 2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.249 6.757 0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.509 8.130 -0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.940 6.632 -1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.995 7.364 -0.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.281 5.867 0.282 1.00 0.00 H new ATOM 1642 N GLY A 109 11.396 7.870 3.258 1.00 0.00 N ATOM 1643 CA GLY A 109 9.968 7.947 3.518 1.00 0.00 C ATOM 1644 C GLY A 109 9.176 7.171 2.464 1.00 0.00 C ATOM 1645 O GLY A 109 9.377 5.970 2.292 1.00 0.00 O ATOM 0 H GLY A 109 11.681 7.083 2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 109 9.753 7.545 4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.651 8.990 3.521 1.00 0.00 H new ATOM 1649 N TRP A 110 8.293 7.890 1.787 1.00 0.00 N ATOM 1650 CA TRP A 110 7.470 7.283 0.754 1.00 0.00 C ATOM 1651 C TRP A 110 7.595 8.135 -0.511 1.00 0.00 C ATOM 1652 O TRP A 110 7.084 9.253 -0.564 1.00 0.00 O ATOM 1653 CB TRP A 110 6.024 7.126 1.228 1.00 0.00 C ATOM 1654 CG TRP A 110 5.835 6.057 2.307 1.00 0.00 C ATOM 1655 CD1 TRP A 110 5.859 6.214 3.637 1.00 0.00 C ATOM 1656 CD2 TRP A 110 5.592 4.651 2.090 1.00 0.00 C ATOM 1657 NE1 TRP A 110 5.649 5.018 4.292 1.00 0.00 N ATOM 1658 CE2 TRP A 110 5.482 4.037 3.321 1.00 0.00 C ATOM 1659 CE3 TRP A 110 5.469 3.922 0.894 1.00 0.00 C ATOM 1660 CZ2 TRP A 110 5.244 2.666 3.475 1.00 0.00 C ATOM 1661 CZ3 TRP A 110 5.231 2.553 1.065 1.00 0.00 C ATOM 1662 CH2 TRP A 110 5.118 1.920 2.297 1.00 0.00 C ATOM 0 H TRP A 110 8.129 8.886 1.933 1.00 0.00 H new ATOM 0 HA TRP A 110 7.814 6.273 0.529 1.00 0.00 H new ATOM 0 HB2 TRP A 110 5.673 8.083 1.614 1.00 0.00 H new ATOM 0 HB3 TRP A 110 5.397 6.878 0.372 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.022 7.159 4.134 1.00 0.00 H new ATOM 0 HE1 TRP A 110 5.621 4.879 5.302 1.00 0.00 H new ATOM 0 HE3 TRP A 110 5.552 4.382 -0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 5.162 2.209 4.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 5.128 1.946 0.177 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.934 0.857 2.346 1.00 0.00 H new ATOM 1673 N GLY A 111 8.277 7.574 -1.498 1.00 0.00 N ATOM 1674 CA GLY A 111 8.476 8.268 -2.759 1.00 0.00 C ATOM 1675 C GLY A 111 7.186 8.291 -3.582 1.00 0.00 C ATOM 1676 O GLY A 111 6.104 8.042 -3.052 1.00 0.00 O ATOM 0 H GLY A 111 8.699 6.647 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.808 9.289 -2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.266 7.777 -3.328 1.00 0.00 H new ATOM 1680 N GLU A 112 7.343 8.593 -4.862 1.00 0.00 N ATOM 1681 CA GLU A 112 6.204 8.652 -5.762 1.00 0.00 C ATOM 1682 C GLU A 112 5.319 7.417 -5.581 1.00 0.00 C ATOM 1683 O GLU A 112 5.744 6.427 -4.988 1.00 0.00 O ATOM 1684 CB GLU A 112 6.661 8.791 -7.216 1.00 0.00 C ATOM 1685 CG GLU A 112 5.947 9.954 -7.907 1.00 0.00 C ATOM 1686 CD GLU A 112 6.941 11.044 -8.314 1.00 0.00 C ATOM 1687 OE1 GLU A 112 7.497 11.678 -7.392 1.00 0.00 O ATOM 1688 OE2 GLU A 112 7.122 11.217 -9.539 1.00 0.00 O ATOM 0 H GLU A 112 8.242 8.800 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 112 5.616 9.535 -5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.739 8.951 -7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.460 7.865 -7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.420 9.590 -8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 112 5.196 10.373 -7.238 1.00 0.00 H new ATOM 1695 N ALA A 113 4.106 7.516 -6.103 1.00 0.00 N ATOM 1696 CA ALA A 113 3.158 6.419 -6.006 1.00 0.00 C ATOM 1697 C ALA A 113 2.476 6.219 -7.361 1.00 0.00 C ATOM 1698 O ALA A 113 2.105 7.188 -8.023 1.00 0.00 O ATOM 1699 CB ALA A 113 2.156 6.707 -4.886 1.00 0.00 C ATOM 0 H ALA A 113 3.757 8.339 -6.595 1.00 0.00 H new ATOM 0 HA ALA A 113 3.670 5.490 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.445 5.884 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.688 6.812 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.621 7.631 -5.105 1.00 0.00 H new ATOM 1705 N ALA A 114 2.330 4.956 -7.734 1.00 0.00 N ATOM 1706 CA ALA A 114 1.699 4.617 -8.998 1.00 0.00 C ATOM 1707 C ALA A 114 0.208 4.364 -8.767 1.00 0.00 C ATOM 1708 O ALA A 114 -0.163 3.482 -7.993 1.00 0.00 O ATOM 1709 CB ALA A 114 2.407 3.408 -9.614 1.00 0.00 C ATOM 0 H ALA A 114 2.638 4.155 -7.183 1.00 0.00 H new ATOM 0 HA ALA A 114 1.788 5.442 -9.705 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.934 3.153 -10.562 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.456 3.649 -9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.336 2.559 -8.934 1.00 0.00 H new ATOM 1715 N GLU A 115 -0.607 5.153 -9.451 1.00 0.00 N ATOM 1716 CA GLU A 115 -2.049 5.026 -9.330 1.00 0.00 C ATOM 1717 C GLU A 115 -2.605 4.175 -10.474 1.00 0.00 C ATOM 1718 O GLU A 115 -2.383 4.481 -11.644 1.00 0.00 O ATOM 1719 CB GLU A 115 -2.720 6.401 -9.294 1.00 0.00 C ATOM 1720 CG GLU A 115 -2.931 6.870 -7.853 1.00 0.00 C ATOM 1721 CD GLU A 115 -3.946 8.014 -7.792 1.00 0.00 C ATOM 1722 OE1 GLU A 115 -3.971 8.802 -8.762 1.00 0.00 O ATOM 1723 OE2 GLU A 115 -4.673 8.074 -6.777 1.00 0.00 O ATOM 0 H GLU A 115 -0.296 5.883 -10.091 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.272 4.525 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.105 7.124 -9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.679 6.355 -9.810 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.280 6.037 -7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.981 7.199 -7.431 1.00 0.00 H new ATOM 1730 N ALA A 116 -3.316 3.123 -10.095 1.00 0.00 N ATOM 1731 CA ALA A 116 -3.905 2.226 -11.074 1.00 0.00 C ATOM 1732 C ALA A 116 -5.340 1.895 -10.658 1.00 0.00 C ATOM 1733 O ALA A 116 -5.573 1.403 -9.555 1.00 0.00 O ATOM 1734 CB ALA A 116 -3.034 0.975 -11.209 1.00 0.00 C ATOM 0 H ALA A 116 -3.497 2.872 -9.123 1.00 0.00 H new ATOM 0 HA ALA A 116 -3.947 2.702 -12.054 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.476 0.302 -11.944 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.034 1.261 -11.534 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -2.971 0.470 -10.245 1.00 0.00 H new ATOM 1740 N LEU A 117 -6.264 2.178 -11.564 1.00 0.00 N ATOM 1741 CA LEU A 117 -7.670 1.917 -11.306 1.00 0.00 C ATOM 1742 C LEU A 117 -8.025 0.516 -11.807 1.00 0.00 C ATOM 1743 O LEU A 117 -7.375 -0.007 -12.712 1.00 0.00 O ATOM 1744 CB LEU A 117 -8.540 3.023 -11.906 1.00 0.00 C ATOM 1745 CG LEU A 117 -8.567 4.346 -11.138 1.00 0.00 C ATOM 1746 CD1 LEU A 117 -8.491 5.537 -12.095 1.00 0.00 C ATOM 1747 CD2 LEU A 117 -9.790 4.423 -10.222 1.00 0.00 C ATOM 0 H LEU A 117 -6.067 2.586 -12.478 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.869 1.933 -10.234 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.193 3.221 -12.920 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.562 2.651 -11.986 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.684 4.389 -10.500 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.512 6.465 -11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.565 5.485 -12.668 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.342 5.511 -12.776 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -9.785 5.373 -9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -10.698 4.348 -10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.759 3.603 -9.504 1.00 0.00 H new ATOM 1759 N VAL A 118 -9.054 -0.053 -11.198 1.00 0.00 N ATOM 1760 CA VAL A 118 -9.503 -1.384 -11.571 1.00 0.00 C ATOM 1761 C VAL A 118 -10.971 -1.553 -11.174 1.00 0.00 C ATOM 1762 O VAL A 118 -11.332 -1.345 -10.017 1.00 0.00 O ATOM 1763 CB VAL A 118 -8.589 -2.439 -10.945 1.00 0.00 C ATOM 1764 CG1 VAL A 118 -8.476 -2.239 -9.432 1.00 0.00 C ATOM 1765 CG2 VAL A 118 -9.075 -3.852 -11.277 1.00 0.00 C ATOM 0 H VAL A 118 -9.590 0.383 -10.448 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.441 -1.519 -12.651 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.594 -2.317 -11.374 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -7.821 -3.002 -9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -8.063 -1.252 -9.225 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.464 -2.320 -8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.408 -4.583 -10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -10.084 -3.990 -10.890 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.079 -3.991 -12.358 1.00 0.00 H new ATOM 1775 N VAL A 119 -11.777 -1.927 -12.156 1.00 0.00 N ATOM 1776 CA VAL A 119 -13.198 -2.126 -11.924 1.00 0.00 C ATOM 1777 C VAL A 119 -13.423 -3.517 -11.328 1.00 0.00 C ATOM 1778 O VAL A 119 -12.688 -4.454 -11.636 1.00 0.00 O ATOM 1779 CB VAL A 119 -13.978 -1.897 -13.220 1.00 0.00 C ATOM 1780 CG1 VAL A 119 -15.309 -2.650 -13.199 1.00 0.00 C ATOM 1781 CG2 VAL A 119 -14.196 -0.404 -13.472 1.00 0.00 C ATOM 0 H VAL A 119 -11.473 -2.098 -13.115 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.572 -1.399 -11.203 1.00 0.00 H new ATOM 0 HB VAL A 119 -13.383 -2.292 -14.043 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.844 -2.470 -14.132 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.121 -3.718 -13.089 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.912 -2.299 -12.362 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.753 -0.269 -14.399 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -14.760 0.026 -12.644 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -13.231 0.096 -13.552 1.00 0.00 H new ATOM 1791 N THR A 120 -14.442 -3.608 -10.486 1.00 0.00 N ATOM 1792 CA THR A 120 -14.773 -4.869 -9.845 1.00 0.00 C ATOM 1793 C THR A 120 -15.967 -5.525 -10.543 1.00 0.00 C ATOM 1794 O THR A 120 -17.083 -5.012 -10.484 1.00 0.00 O ATOM 1795 CB THR A 120 -15.013 -4.595 -8.359 1.00 0.00 C ATOM 1796 OG1 THR A 120 -15.754 -3.379 -8.345 1.00 0.00 O ATOM 1797 CG2 THR A 120 -13.723 -4.254 -7.611 1.00 0.00 C ATOM 0 H THR A 120 -15.049 -2.829 -10.233 1.00 0.00 H new ATOM 0 HA THR A 120 -13.954 -5.583 -9.931 1.00 0.00 H new ATOM 0 HB THR A 120 -15.479 -5.467 -7.900 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.198 -3.277 -7.478 1.00 0.00 H new ATOM 0 HG21 THR A 120 -13.949 -4.069 -6.561 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.025 -5.088 -7.690 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.274 -3.362 -8.048 1.00 0.00 H new ATOM 1805 N THR A 121 -15.690 -6.649 -11.187 1.00 0.00 N ATOM 1806 CA THR A 121 -16.727 -7.380 -11.895 1.00 0.00 C ATOM 1807 C THR A 121 -16.167 -8.687 -12.461 1.00 0.00 C ATOM 1808 O THR A 121 -14.953 -8.882 -12.496 1.00 0.00 O ATOM 1809 CB THR A 121 -17.311 -6.456 -12.965 1.00 0.00 C ATOM 1810 OG1 THR A 121 -18.303 -7.251 -13.608 1.00 0.00 O ATOM 1811 CG2 THR A 121 -16.308 -6.140 -14.077 1.00 0.00 C ATOM 0 H THR A 121 -14.763 -7.071 -11.233 1.00 0.00 H new ATOM 0 HA THR A 121 -17.533 -7.673 -11.222 1.00 0.00 H new ATOM 0 HB THR A 121 -17.642 -5.527 -12.500 1.00 0.00 H new ATOM 0 HG1 THR A 121 -18.734 -6.728 -14.316 1.00 0.00 H new ATOM 0 HG21 THR A 121 -16.773 -5.481 -14.810 1.00 0.00 H new ATOM 0 HG22 THR A 121 -15.434 -5.648 -13.650 1.00 0.00 H new ATOM 0 HG23 THR A 121 -16.001 -7.066 -14.564 1.00 0.00 H new