USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 833 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 47 THR OG1 : rot 180:sc= -0.321 USER MOD Set 1.2: A 71 GLN : amide:sc= 0.00358 K(o=-0.32,f=-0.98) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -153:sc= 1.21 (180deg=0) USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 25 GLN : amide:sc= -0.0962 X(o=-0.096,f=-0.0073) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0655) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.17) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0318 USER MOD Single : A 38 THR OG1 : rot 46:sc= -0.216 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 161:sc= 2.3 (180deg=1.51) USER MOD Single : A 49 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-5.1!) USER MOD Single : A 50 TYR OH : rot 171:sc= -0.341 USER MOD Single : A 58 LYS NZ :NH3+ 171:sc=-0.00537 (180deg=-0.0868) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 62 SER OG : rot 2:sc= 0.186 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0617 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0471) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 89 THR OG1 : rot -41:sc= 0.719 USER MOD Single : A 90 MET CE :methyl 167:sc= -3.31! (180deg=-4.19!) USER MOD Single : A 91 THR OG1 : rot -50:sc= 0.25 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0.334 (180deg=0.334) USER MOD Single : A 99 THR OG1 : rot 65:sc= 1.69 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.172 USER MOD ----------------------------------------------------------------- ATOM 345 N GLN A 25 -17.173 -4.207 -32.833 1.00 52.11 N ATOM 346 CA GLN A 25 -15.751 -4.210 -32.488 1.00 33.31 C ATOM 347 C GLN A 25 -15.020 -3.232 -33.406 1.00 11.54 C ATOM 348 O GLN A 25 -15.268 -3.219 -34.613 1.00 33.33 O ATOM 349 CB GLN A 25 -15.164 -5.625 -32.643 1.00 24.32 C ATOM 350 CG GLN A 25 -15.757 -6.658 -31.687 1.00 62.34 C ATOM 351 CD GLN A 25 -15.331 -6.437 -30.244 1.00 50.24 C ATOM 352 OE1 GLN A 25 -14.332 -6.989 -29.786 1.00 54.31 O ATOM 353 NE2 GLN A 25 -16.081 -5.622 -29.522 1.00 0.52 N ATOM 0 HA GLN A 25 -15.627 -3.903 -31.449 1.00 33.31 H new ATOM 0 HB2 GLN A 25 -15.323 -5.962 -33.667 1.00 24.32 H new ATOM 0 HB3 GLN A 25 -14.086 -5.578 -32.486 1.00 24.32 H new ATOM 0 HG2 GLN A 25 -16.845 -6.622 -31.750 1.00 62.34 H new ATOM 0 HG3 GLN A 25 -15.452 -7.656 -32.003 1.00 62.34 H new ATOM 0 HE21 GLN A 25 -16.902 -5.183 -29.937 1.00 0.52 H new ATOM 0 HE22 GLN A 25 -15.838 -5.433 -28.550 1.00 0.52 H new ATOM 362 N LEU A 26 -14.138 -2.414 -32.840 1.00 30.13 N ATOM 363 CA LEU A 26 -13.449 -1.381 -33.614 1.00 12.14 C ATOM 364 C LEU A 26 -12.027 -1.161 -33.093 1.00 51.43 C ATOM 365 O LEU A 26 -11.830 -0.665 -31.979 1.00 61.15 O ATOM 366 CB LEU A 26 -14.260 -0.065 -33.570 1.00 71.53 C ATOM 367 CG LEU A 26 -13.914 0.999 -34.641 1.00 4.02 C ATOM 368 CD1 LEU A 26 -12.557 1.655 -34.381 1.00 1.33 C ATOM 369 CD2 LEU A 26 -13.958 0.388 -36.043 1.00 14.44 C ATOM 0 H LEU A 26 -13.883 -2.444 -31.853 1.00 30.13 H new ATOM 0 HA LEU A 26 -13.373 -1.714 -34.649 1.00 12.14 H new ATOM 0 HB2 LEU A 26 -15.317 -0.313 -33.665 1.00 71.53 H new ATOM 0 HB3 LEU A 26 -14.126 0.385 -32.587 1.00 71.53 H new ATOM 0 HG LEU A 26 -14.670 1.782 -34.576 1.00 4.02 H new ATOM 0 HD11 LEU A 26 -12.356 2.394 -35.156 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -12.570 2.145 -33.407 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -11.777 0.894 -34.394 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -13.712 1.152 -36.781 1.00 14.44 H new ATOM 0 HD22 LEU A 26 -13.235 -0.425 -36.108 1.00 14.44 H new ATOM 0 HD23 LEU A 26 -14.958 0.002 -36.240 1.00 14.44 H new ATOM 381 N GLU A 27 -11.042 -1.544 -33.898 1.00 2.20 N ATOM 382 CA GLU A 27 -9.648 -1.195 -33.638 1.00 14.02 C ATOM 383 C GLU A 27 -9.024 -0.587 -34.889 1.00 65.33 C ATOM 384 O GLU A 27 -9.292 -1.032 -36.011 1.00 60.33 O ATOM 385 CB GLU A 27 -8.829 -2.414 -33.186 1.00 53.11 C ATOM 386 CG GLU A 27 -9.201 -2.936 -31.801 1.00 1.14 C ATOM 387 CD GLU A 27 -8.164 -3.898 -31.242 1.00 4.22 C ATOM 388 OE1 GLU A 27 -7.054 -3.437 -30.892 1.00 43.34 O ATOM 389 OE2 GLU A 27 -8.448 -5.109 -31.132 1.00 35.30 O ATOM 0 H GLU A 27 -11.184 -2.100 -34.741 1.00 2.20 H new ATOM 0 HA GLU A 27 -9.634 -0.466 -32.828 1.00 14.02 H new ATOM 0 HB2 GLU A 27 -8.961 -3.216 -33.912 1.00 53.11 H new ATOM 0 HB3 GLU A 27 -7.772 -2.150 -33.191 1.00 53.11 H new ATOM 0 HG2 GLU A 27 -9.316 -2.094 -31.118 1.00 1.14 H new ATOM 0 HG3 GLU A 27 -10.167 -3.438 -31.853 1.00 1.14 H new ATOM 396 N LYS A 28 -8.211 0.445 -34.688 1.00 20.23 N ATOM 397 CA LYS A 28 -7.475 1.080 -35.774 1.00 1.42 C ATOM 398 C LYS A 28 -6.057 1.407 -35.308 1.00 24.22 C ATOM 399 O LYS A 28 -5.855 2.251 -34.431 1.00 43.22 O ATOM 400 CB LYS A 28 -8.202 2.347 -36.268 1.00 13.42 C ATOM 401 CG LYS A 28 -8.460 3.405 -35.196 1.00 53.12 C ATOM 402 CD LYS A 28 -9.151 4.635 -35.774 1.00 50.34 C ATOM 403 CE LYS A 28 -9.361 5.723 -34.725 1.00 71.00 C ATOM 404 NZ LYS A 28 -10.265 5.280 -33.632 1.00 31.34 N ATOM 0 H LYS A 28 -8.045 0.863 -33.772 1.00 20.23 H new ATOM 0 HA LYS A 28 -7.419 0.389 -36.615 1.00 1.42 H new ATOM 0 HB2 LYS A 28 -7.613 2.797 -37.067 1.00 13.42 H new ATOM 0 HB3 LYS A 28 -9.157 2.053 -36.704 1.00 13.42 H new ATOM 0 HG2 LYS A 28 -9.077 2.979 -34.405 1.00 53.12 H new ATOM 0 HG3 LYS A 28 -7.515 3.699 -34.740 1.00 53.12 H new ATOM 0 HD2 LYS A 28 -8.554 5.034 -36.594 1.00 50.34 H new ATOM 0 HD3 LYS A 28 -10.115 4.345 -36.193 1.00 50.34 H new ATOM 0 HE2 LYS A 28 -8.398 6.010 -34.304 1.00 71.00 H new ATOM 0 HE3 LYS A 28 -9.778 6.610 -35.202 1.00 71.00 H new ATOM 0 HZ1 LYS A 28 -10.474 6.084 -33.007 1.00 31.34 H new ATOM 0 HZ2 LYS A 28 -11.151 4.919 -34.039 1.00 31.34 H new ATOM 0 HZ3 LYS A 28 -9.803 4.526 -33.084 1.00 31.34 H new ATOM 418 N LYS A 29 -5.080 0.713 -35.873 1.00 10.31 N ATOM 419 CA LYS A 29 -3.686 0.888 -35.485 1.00 4.51 C ATOM 420 C LYS A 29 -2.842 1.112 -36.736 1.00 32.22 C ATOM 421 O LYS A 29 -2.774 0.245 -37.612 1.00 50.14 O ATOM 422 CB LYS A 29 -3.207 -0.348 -34.693 1.00 34.44 C ATOM 423 CG LYS A 29 -2.037 -0.091 -33.733 1.00 63.44 C ATOM 424 CD LYS A 29 -0.702 0.096 -34.452 1.00 73.32 C ATOM 425 CE LYS A 29 -0.276 -1.162 -35.204 1.00 34.34 C ATOM 426 NZ LYS A 29 1.046 -0.987 -35.863 1.00 5.41 N ATOM 0 H LYS A 29 -5.227 0.019 -36.606 1.00 10.31 H new ATOM 0 HA LYS A 29 -3.581 1.760 -34.839 1.00 4.51 H new ATOM 0 HB2 LYS A 29 -4.047 -0.742 -34.121 1.00 34.44 H new ATOM 0 HB3 LYS A 29 -2.913 -1.123 -35.401 1.00 34.44 H new ATOM 0 HG2 LYS A 29 -2.251 0.798 -33.139 1.00 63.44 H new ATOM 0 HG3 LYS A 29 -1.955 -0.927 -33.038 1.00 63.44 H new ATOM 0 HD2 LYS A 29 -0.781 0.928 -35.152 1.00 73.32 H new ATOM 0 HD3 LYS A 29 0.066 0.362 -33.726 1.00 73.32 H new ATOM 0 HE2 LYS A 29 -0.229 -2.002 -34.511 1.00 34.34 H new ATOM 0 HE3 LYS A 29 -1.027 -1.409 -35.954 1.00 34.34 H new ATOM 0 HZ1 LYS A 29 1.226 -1.790 -36.499 1.00 5.41 H new ATOM 0 HZ2 LYS A 29 1.046 -0.104 -36.412 1.00 5.41 H new ATOM 0 HZ3 LYS A 29 1.792 -0.945 -35.139 1.00 5.41 H new ATOM 440 N VAL A 30 -2.223 2.287 -36.824 1.00 1.11 N ATOM 441 CA VAL A 30 -1.413 2.646 -37.984 1.00 62.04 C ATOM 442 C VAL A 30 -0.214 1.706 -38.120 1.00 61.23 C ATOM 443 O VAL A 30 0.438 1.358 -37.132 1.00 52.32 O ATOM 444 CB VAL A 30 -0.931 4.123 -37.918 1.00 12.12 C ATOM 445 CG1 VAL A 30 -0.028 4.363 -36.709 1.00 33.10 C ATOM 446 CG2 VAL A 30 -0.232 4.532 -39.215 1.00 70.43 C ATOM 0 H VAL A 30 -2.268 3.008 -36.104 1.00 1.11 H new ATOM 0 HA VAL A 30 -2.047 2.541 -38.864 1.00 62.04 H new ATOM 0 HB VAL A 30 -1.814 4.751 -37.799 1.00 12.12 H new ATOM 0 HG11 VAL A 30 0.290 5.405 -36.694 1.00 33.10 H new ATOM 0 HG12 VAL A 30 -0.577 4.138 -35.795 1.00 33.10 H new ATOM 0 HG13 VAL A 30 0.848 3.717 -36.775 1.00 33.10 H new ATOM 0 HG21 VAL A 30 0.095 5.569 -39.141 1.00 70.43 H new ATOM 0 HG22 VAL A 30 0.633 3.890 -39.380 1.00 70.43 H new ATOM 0 HG23 VAL A 30 -0.925 4.429 -40.050 1.00 70.43 H new ATOM 456 N LEU A 31 0.048 1.270 -39.346 1.00 3.31 N ATOM 457 CA LEU A 31 1.157 0.362 -39.632 1.00 51.44 C ATOM 458 C LEU A 31 2.335 1.137 -40.221 1.00 63.53 C ATOM 459 O LEU A 31 3.495 0.746 -40.072 1.00 71.22 O ATOM 460 CB LEU A 31 0.689 -0.734 -40.604 1.00 73.13 C ATOM 461 CG LEU A 31 1.719 -1.833 -40.921 1.00 33.10 C ATOM 462 CD1 LEU A 31 2.166 -2.551 -39.648 1.00 41.32 C ATOM 463 CD2 LEU A 31 1.156 -2.832 -41.930 1.00 61.33 C ATOM 0 H LEU A 31 -0.497 1.533 -40.167 1.00 3.31 H new ATOM 0 HA LEU A 31 1.487 -0.107 -38.705 1.00 51.44 H new ATOM 0 HB2 LEU A 31 -0.201 -1.206 -40.188 1.00 73.13 H new ATOM 0 HB3 LEU A 31 0.391 -0.261 -41.540 1.00 73.13 H new ATOM 0 HG LEU A 31 2.592 -1.353 -41.364 1.00 33.10 H new ATOM 0 HD11 LEU A 31 2.893 -3.322 -39.902 1.00 41.32 H new ATOM 0 HD12 LEU A 31 2.621 -1.833 -38.966 1.00 41.32 H new ATOM 0 HD13 LEU A 31 1.303 -3.011 -39.167 1.00 41.32 H new ATOM 0 HD21 LEU A 31 1.902 -3.599 -42.138 1.00 61.33 H new ATOM 0 HD22 LEU A 31 0.261 -3.299 -41.519 1.00 61.33 H new ATOM 0 HD23 LEU A 31 0.903 -2.312 -42.854 1.00 61.33 H new ATOM 475 N THR A 32 2.022 2.236 -40.891 1.00 73.42 N ATOM 476 CA THR A 32 3.020 3.127 -41.466 1.00 63.14 C ATOM 477 C THR A 32 2.432 4.537 -41.572 1.00 74.03 C ATOM 478 O THR A 32 1.487 4.749 -42.333 1.00 24.43 O ATOM 479 CB THR A 32 3.469 2.644 -42.871 1.00 71.24 C ATOM 480 OG1 THR A 32 3.936 1.285 -42.804 1.00 42.12 O ATOM 481 CG2 THR A 32 4.576 3.533 -43.431 1.00 61.24 C ATOM 0 H THR A 32 1.061 2.537 -41.052 1.00 73.42 H new ATOM 0 HA THR A 32 3.895 3.130 -40.816 1.00 63.14 H new ATOM 0 HB THR A 32 2.606 2.702 -43.534 1.00 71.24 H new ATOM 0 HG1 THR A 32 4.215 0.991 -43.696 1.00 42.12 H new ATOM 0 HG21 THR A 32 4.870 3.171 -44.416 1.00 61.24 H new ATOM 0 HG22 THR A 32 4.213 4.557 -43.515 1.00 61.24 H new ATOM 0 HG23 THR A 32 5.437 3.507 -42.763 1.00 61.24 H new ATOM 489 N PRO A 33 2.948 5.504 -40.785 1.00 53.10 N ATOM 490 CA PRO A 33 2.449 6.888 -40.800 1.00 31.44 C ATOM 491 C PRO A 33 2.661 7.554 -42.160 1.00 3.51 C ATOM 492 O PRO A 33 3.735 7.445 -42.754 1.00 22.31 O ATOM 493 CB PRO A 33 3.275 7.588 -39.706 1.00 1.05 C ATOM 494 CG PRO A 33 4.492 6.740 -39.544 1.00 71.12 C ATOM 495 CD PRO A 33 4.051 5.329 -39.821 1.00 42.35 C ATOM 0 HA PRO A 33 1.375 6.941 -40.622 1.00 31.44 H new ATOM 0 HB2 PRO A 33 3.538 8.605 -39.999 1.00 1.05 H new ATOM 0 HB3 PRO A 33 2.716 7.659 -38.773 1.00 1.05 H new ATOM 0 HG2 PRO A 33 5.277 7.047 -40.235 1.00 71.12 H new ATOM 0 HG3 PRO A 33 4.900 6.831 -38.538 1.00 71.12 H new ATOM 0 HD2 PRO A 33 4.860 4.729 -40.239 1.00 42.35 H new ATOM 0 HD3 PRO A 33 3.717 4.826 -38.914 1.00 42.35 H new ATOM 503 N GLY A 34 1.631 8.238 -42.647 1.00 1.22 N ATOM 504 CA GLY A 34 1.692 8.862 -43.958 1.00 71.12 C ATOM 505 C GLY A 34 2.326 10.234 -43.936 1.00 51.22 C ATOM 506 O GLY A 34 2.693 10.742 -42.871 1.00 33.52 O ATOM 0 H GLY A 34 0.748 8.372 -42.154 1.00 1.22 H new ATOM 0 HA2 GLY A 34 2.256 8.219 -44.633 1.00 71.12 H new ATOM 0 HA3 GLY A 34 0.683 8.942 -44.363 1.00 71.12 H new ATOM 510 N ASP A 35 2.449 10.834 -45.119 1.00 1.32 N ATOM 511 CA ASP A 35 3.059 12.154 -45.259 1.00 65.45 C ATOM 512 C ASP A 35 2.216 13.216 -44.545 1.00 14.34 C ATOM 513 O ASP A 35 2.740 14.223 -44.065 1.00 32.43 O ATOM 514 CB ASP A 35 3.237 12.505 -46.741 1.00 64.24 C ATOM 515 CG ASP A 35 4.057 13.769 -46.945 1.00 72.41 C ATOM 516 OD1 ASP A 35 5.277 13.748 -46.667 1.00 4.21 O ATOM 517 OD2 ASP A 35 3.494 14.783 -47.395 1.00 51.11 O ATOM 0 H ASP A 35 2.132 10.424 -45.998 1.00 1.32 H new ATOM 0 HA ASP A 35 4.043 12.133 -44.791 1.00 65.45 H new ATOM 0 HB2 ASP A 35 3.723 11.674 -47.252 1.00 64.24 H new ATOM 0 HB3 ASP A 35 2.257 12.633 -47.201 1.00 64.24 H new ATOM 522 N GLY A 36 0.903 12.986 -44.490 1.00 33.03 N ATOM 523 CA GLY A 36 0.028 13.783 -43.639 1.00 42.44 C ATOM 524 C GLY A 36 -0.548 15.029 -44.300 1.00 51.13 C ATOM 525 O GLY A 36 -1.647 15.459 -43.944 1.00 23.41 O ATOM 0 H GLY A 36 0.427 12.258 -45.023 1.00 33.03 H new ATOM 0 HA2 GLY A 36 -0.796 13.155 -43.301 1.00 42.44 H new ATOM 0 HA3 GLY A 36 0.584 14.084 -42.751 1.00 42.44 H new ATOM 529 N VAL A 37 0.173 15.620 -45.254 1.00 62.44 N ATOM 530 CA VAL A 37 -0.248 16.903 -45.831 1.00 70.24 C ATOM 531 C VAL A 37 -1.163 16.721 -47.044 1.00 51.32 C ATOM 532 O VAL A 37 -1.939 17.620 -47.380 1.00 73.24 O ATOM 533 CB VAL A 37 0.962 17.783 -46.229 1.00 11.24 C ATOM 534 CG1 VAL A 37 1.953 17.893 -45.073 1.00 11.54 C ATOM 535 CG2 VAL A 37 1.641 17.255 -47.491 1.00 52.31 C ATOM 0 H VAL A 37 1.038 15.241 -45.640 1.00 62.44 H new ATOM 0 HA VAL A 37 -0.810 17.410 -45.046 1.00 70.24 H new ATOM 0 HB VAL A 37 0.591 18.783 -46.452 1.00 11.24 H new ATOM 0 HG11 VAL A 37 2.796 18.516 -45.374 1.00 11.54 H new ATOM 0 HG12 VAL A 37 1.459 18.343 -44.212 1.00 11.54 H new ATOM 0 HG13 VAL A 37 2.313 16.899 -44.807 1.00 11.54 H new ATOM 0 HG21 VAL A 37 2.487 17.895 -47.744 1.00 52.31 H new ATOM 0 HG22 VAL A 37 1.994 16.239 -47.316 1.00 52.31 H new ATOM 0 HG23 VAL A 37 0.927 17.254 -48.315 1.00 52.31 H new ATOM 545 N THR A 38 -1.073 15.563 -47.692 1.00 10.01 N ATOM 546 CA THR A 38 -1.860 15.291 -48.892 1.00 12.05 C ATOM 547 C THR A 38 -3.358 15.310 -48.583 1.00 25.34 C ATOM 548 O THR A 38 -3.822 14.596 -47.691 1.00 54.22 O ATOM 549 CB THR A 38 -1.476 13.928 -49.504 1.00 44.23 C ATOM 550 OG1 THR A 38 -1.542 12.908 -48.494 1.00 15.11 O ATOM 551 CG2 THR A 38 -0.073 13.976 -50.100 1.00 33.03 C ATOM 0 H THR A 38 -0.463 14.797 -47.406 1.00 10.01 H new ATOM 0 HA THR A 38 -1.640 16.078 -49.613 1.00 12.05 H new ATOM 0 HB THR A 38 -2.181 13.697 -50.303 1.00 44.23 H new ATOM 0 HG1 THR A 38 -2.376 13.002 -47.988 1.00 15.11 H new ATOM 0 HG21 THR A 38 0.175 13.004 -50.525 1.00 33.03 H new ATOM 0 HG22 THR A 38 -0.036 14.734 -50.882 1.00 33.03 H new ATOM 0 HG23 THR A 38 0.646 14.224 -49.319 1.00 33.03 H new ATOM 559 N LYS A 39 -4.103 16.124 -49.324 1.00 43.31 N ATOM 560 CA LYS A 39 -5.533 16.296 -49.086 1.00 13.11 C ATOM 561 C LYS A 39 -6.367 15.464 -50.073 1.00 41.21 C ATOM 562 O LYS A 39 -6.162 15.529 -51.291 1.00 63.14 O ATOM 563 CB LYS A 39 -5.905 17.787 -49.174 1.00 22.03 C ATOM 564 CG LYS A 39 -5.481 18.462 -50.477 1.00 14.54 C ATOM 565 CD LYS A 39 -5.766 19.964 -50.467 1.00 41.50 C ATOM 566 CE LYS A 39 -4.988 20.681 -49.367 1.00 4.21 C ATOM 567 NZ LYS A 39 -5.188 22.154 -49.415 1.00 32.51 N ATOM 0 H LYS A 39 -3.738 16.678 -50.099 1.00 43.31 H new ATOM 0 HA LYS A 39 -5.760 15.936 -48.083 1.00 13.11 H new ATOM 0 HB2 LYS A 39 -6.984 17.888 -49.060 1.00 22.03 H new ATOM 0 HB3 LYS A 39 -5.445 18.315 -48.338 1.00 22.03 H new ATOM 0 HG2 LYS A 39 -4.416 18.297 -50.640 1.00 14.54 H new ATOM 0 HG3 LYS A 39 -6.007 17.999 -51.312 1.00 14.54 H new ATOM 0 HD2 LYS A 39 -5.503 20.390 -51.435 1.00 41.50 H new ATOM 0 HD3 LYS A 39 -6.834 20.130 -50.325 1.00 41.50 H new ATOM 0 HE2 LYS A 39 -5.303 20.303 -48.394 1.00 4.21 H new ATOM 0 HE3 LYS A 39 -3.926 20.455 -49.467 1.00 4.21 H new ATOM 0 HZ1 LYS A 39 -4.643 22.603 -48.652 1.00 32.51 H new ATOM 0 HZ2 LYS A 39 -4.863 22.519 -50.333 1.00 32.51 H new ATOM 0 HZ3 LYS A 39 -6.198 22.371 -49.294 1.00 32.51 H new ATOM 581 N PRO A 40 -7.293 14.637 -49.555 1.00 42.33 N ATOM 582 CA PRO A 40 -8.233 13.882 -50.372 1.00 34.02 C ATOM 583 C PRO A 40 -9.528 14.662 -50.619 1.00 15.53 C ATOM 584 O PRO A 40 -9.845 15.600 -49.885 1.00 20.24 O ATOM 585 CB PRO A 40 -8.490 12.648 -49.506 1.00 14.44 C ATOM 586 CG PRO A 40 -8.412 13.151 -48.099 1.00 71.04 C ATOM 587 CD PRO A 40 -7.484 14.349 -48.116 1.00 13.23 C ATOM 0 HA PRO A 40 -7.853 13.654 -51.368 1.00 34.02 H new ATOM 0 HB2 PRO A 40 -9.466 12.212 -49.717 1.00 14.44 H new ATOM 0 HB3 PRO A 40 -7.747 11.872 -49.691 1.00 14.44 H new ATOM 0 HG2 PRO A 40 -9.400 13.432 -47.733 1.00 71.04 H new ATOM 0 HG3 PRO A 40 -8.033 12.377 -47.432 1.00 71.04 H new ATOM 0 HD2 PRO A 40 -7.922 15.200 -47.594 1.00 13.23 H new ATOM 0 HD3 PRO A 40 -6.537 14.127 -47.625 1.00 13.23 H new ATOM 595 N GLN A 41 -10.269 14.273 -51.651 1.00 71.30 N ATOM 596 CA GLN A 41 -11.538 14.920 -51.980 1.00 74.23 C ATOM 597 C GLN A 41 -12.412 13.975 -52.798 1.00 54.51 C ATOM 598 O GLN A 41 -11.906 13.034 -53.422 1.00 73.51 O ATOM 599 CB GLN A 41 -11.305 16.221 -52.765 1.00 32.32 C ATOM 600 CG GLN A 41 -10.788 16.000 -54.183 1.00 20.14 C ATOM 601 CD GLN A 41 -10.616 17.294 -54.960 1.00 75.11 C ATOM 602 OE1 GLN A 41 -9.552 17.906 -54.939 1.00 42.13 O ATOM 603 NE2 GLN A 41 -11.664 17.719 -55.652 1.00 32.25 N ATOM 0 H GLN A 41 -10.013 13.510 -52.277 1.00 71.30 H new ATOM 0 HA GLN A 41 -12.045 15.165 -51.047 1.00 74.23 H new ATOM 0 HB2 GLN A 41 -12.240 16.778 -52.812 1.00 32.32 H new ATOM 0 HB3 GLN A 41 -10.592 16.840 -52.221 1.00 32.32 H new ATOM 0 HG2 GLN A 41 -9.831 15.480 -54.138 1.00 20.14 H new ATOM 0 HG3 GLN A 41 -11.480 15.350 -54.719 1.00 20.14 H new ATOM 0 HE21 GLN A 41 -12.532 17.183 -55.645 1.00 32.25 H new ATOM 0 HE22 GLN A 41 -11.603 18.582 -56.192 1.00 32.25 H new ATOM 612 N ALA A 42 -13.715 14.235 -52.797 1.00 32.14 N ATOM 613 CA ALA A 42 -14.661 13.441 -53.569 1.00 64.43 C ATOM 614 C ALA A 42 -14.543 13.775 -55.055 1.00 53.00 C ATOM 615 O ALA A 42 -14.912 14.872 -55.483 1.00 74.42 O ATOM 616 CB ALA A 42 -16.086 13.680 -53.076 1.00 22.33 C ATOM 0 H ALA A 42 -14.141 14.995 -52.266 1.00 32.14 H new ATOM 0 HA ALA A 42 -14.424 12.386 -53.432 1.00 64.43 H new ATOM 0 HB1 ALA A 42 -16.780 13.079 -53.664 1.00 22.33 H new ATOM 0 HB2 ALA A 42 -16.160 13.397 -52.026 1.00 22.33 H new ATOM 0 HB3 ALA A 42 -16.337 14.735 -53.186 1.00 22.33 H new ATOM 622 N GLY A 43 -14.016 12.840 -55.833 1.00 22.23 N ATOM 623 CA GLY A 43 -13.883 13.053 -57.265 1.00 40.21 C ATOM 624 C GLY A 43 -12.540 12.607 -57.812 1.00 65.14 C ATOM 625 O GLY A 43 -12.407 12.355 -59.011 1.00 43.04 O ATOM 0 H GLY A 43 -13.677 11.937 -55.501 1.00 22.23 H new ATOM 0 HA2 GLY A 43 -14.676 12.513 -57.782 1.00 40.21 H new ATOM 0 HA3 GLY A 43 -14.024 14.112 -57.483 1.00 40.21 H new ATOM 629 N LYS A 44 -11.536 12.506 -56.941 1.00 15.02 N ATOM 630 CA LYS A 44 -10.208 12.082 -57.374 1.00 4.12 C ATOM 631 C LYS A 44 -10.118 10.562 -57.417 1.00 2.42 C ATOM 632 O LYS A 44 -10.504 9.873 -56.465 1.00 21.32 O ATOM 633 CB LYS A 44 -9.098 12.650 -56.464 1.00 74.43 C ATOM 634 CG LYS A 44 -8.880 14.155 -56.622 1.00 13.21 C ATOM 635 CD LYS A 44 -7.533 14.612 -56.053 1.00 25.44 C ATOM 636 CE LYS A 44 -7.415 14.386 -54.545 1.00 74.31 C ATOM 637 NZ LYS A 44 -6.112 14.877 -54.016 1.00 24.40 N ATOM 0 H LYS A 44 -11.616 12.709 -55.945 1.00 15.02 H new ATOM 0 HA LYS A 44 -10.054 12.479 -58.377 1.00 4.12 H new ATOM 0 HB2 LYS A 44 -9.348 12.436 -55.425 1.00 74.43 H new ATOM 0 HB3 LYS A 44 -8.163 12.132 -56.680 1.00 74.43 H new ATOM 0 HG2 LYS A 44 -8.933 14.418 -57.678 1.00 13.21 H new ATOM 0 HG3 LYS A 44 -9.685 14.691 -56.119 1.00 13.21 H new ATOM 0 HD2 LYS A 44 -6.730 14.076 -56.559 1.00 25.44 H new ATOM 0 HD3 LYS A 44 -7.394 15.672 -56.268 1.00 25.44 H new ATOM 0 HE2 LYS A 44 -8.231 14.898 -54.035 1.00 74.31 H new ATOM 0 HE3 LYS A 44 -7.519 13.323 -54.327 1.00 74.31 H new ATOM 0 HZ1 LYS A 44 -6.183 15.010 -52.987 1.00 24.40 H new ATOM 0 HZ2 LYS A 44 -5.368 14.181 -54.225 1.00 24.40 H new ATOM 0 HZ3 LYS A 44 -5.874 15.784 -54.466 1.00 24.40 H new ATOM 651 N LYS A 45 -9.635 10.050 -58.545 1.00 31.54 N ATOM 652 CA LYS A 45 -9.341 8.636 -58.691 1.00 2.24 C ATOM 653 C LYS A 45 -8.092 8.322 -57.881 1.00 43.32 C ATOM 654 O LYS A 45 -6.996 8.780 -58.218 1.00 1.42 O ATOM 655 CB LYS A 45 -9.116 8.286 -60.172 1.00 23.45 C ATOM 656 CG LYS A 45 -8.961 6.791 -60.447 1.00 51.53 C ATOM 657 CD LYS A 45 -10.277 6.038 -60.265 1.00 61.23 C ATOM 658 CE LYS A 45 -11.334 6.495 -61.264 1.00 43.20 C ATOM 659 NZ LYS A 45 -12.618 5.759 -61.106 1.00 55.24 N ATOM 0 H LYS A 45 -9.438 10.605 -59.378 1.00 31.54 H new ATOM 0 HA LYS A 45 -10.181 8.043 -58.329 1.00 2.24 H new ATOM 0 HB2 LYS A 45 -9.955 8.666 -60.755 1.00 23.45 H new ATOM 0 HB3 LYS A 45 -8.223 8.803 -60.524 1.00 23.45 H new ATOM 0 HG2 LYS A 45 -8.597 6.645 -61.464 1.00 51.53 H new ATOM 0 HG3 LYS A 45 -8.209 6.375 -59.777 1.00 51.53 H new ATOM 0 HD2 LYS A 45 -10.103 4.969 -60.384 1.00 61.23 H new ATOM 0 HD3 LYS A 45 -10.646 6.190 -59.251 1.00 61.23 H new ATOM 0 HE2 LYS A 45 -11.512 7.563 -61.138 1.00 43.20 H new ATOM 0 HE3 LYS A 45 -10.959 6.352 -62.277 1.00 43.20 H new ATOM 0 HZ1 LYS A 45 -13.122 5.741 -62.016 1.00 55.24 H new ATOM 0 HZ2 LYS A 45 -12.424 4.785 -60.798 1.00 55.24 H new ATOM 0 HZ3 LYS A 45 -13.207 6.237 -60.394 1.00 55.24 H new ATOM 673 N VAL A 46 -8.255 7.568 -56.807 1.00 62.24 N ATOM 674 CA VAL A 46 -7.160 7.294 -55.887 1.00 12.10 C ATOM 675 C VAL A 46 -6.658 5.867 -56.050 1.00 64.05 C ATOM 676 O VAL A 46 -7.436 4.946 -56.328 1.00 45.11 O ATOM 677 CB VAL A 46 -7.580 7.536 -54.413 1.00 33.35 C ATOM 678 CG1 VAL A 46 -8.006 8.989 -54.206 1.00 13.43 C ATOM 679 CG2 VAL A 46 -8.695 6.578 -53.990 1.00 33.14 C ATOM 0 H VAL A 46 -9.140 7.132 -56.548 1.00 62.24 H new ATOM 0 HA VAL A 46 -6.354 7.985 -56.133 1.00 12.10 H new ATOM 0 HB VAL A 46 -6.714 7.338 -53.781 1.00 33.35 H new ATOM 0 HG11 VAL A 46 -8.297 9.138 -53.166 1.00 13.43 H new ATOM 0 HG12 VAL A 46 -7.174 9.650 -54.449 1.00 13.43 H new ATOM 0 HG13 VAL A 46 -8.851 9.216 -54.855 1.00 13.43 H new ATOM 0 HG21 VAL A 46 -8.967 6.772 -52.953 1.00 33.14 H new ATOM 0 HG22 VAL A 46 -9.566 6.729 -54.628 1.00 33.14 H new ATOM 0 HG23 VAL A 46 -8.347 5.550 -54.087 1.00 33.14 H new ATOM 689 N THR A 47 -5.348 5.707 -55.905 1.00 20.33 N ATOM 690 CA THR A 47 -4.705 4.406 -55.974 1.00 43.45 C ATOM 691 C THR A 47 -4.424 3.901 -54.562 1.00 3.34 C ATOM 692 O THR A 47 -3.588 4.464 -53.846 1.00 53.32 O ATOM 693 CB THR A 47 -3.383 4.476 -56.771 1.00 31.33 C ATOM 694 OG1 THR A 47 -3.621 5.055 -58.066 1.00 10.14 O ATOM 695 CG2 THR A 47 -2.766 3.092 -56.937 1.00 54.21 C ATOM 0 H THR A 47 -4.703 6.479 -55.736 1.00 20.33 H new ATOM 0 HA THR A 47 -5.377 3.720 -56.489 1.00 43.45 H new ATOM 0 HB THR A 47 -2.685 5.100 -56.212 1.00 31.33 H new ATOM 0 HG1 THR A 47 -2.779 5.098 -58.565 1.00 10.14 H new ATOM 0 HG21 THR A 47 -1.837 3.173 -57.502 1.00 54.21 H new ATOM 0 HG22 THR A 47 -2.558 2.666 -55.955 1.00 54.21 H new ATOM 0 HG23 THR A 47 -3.461 2.446 -57.473 1.00 54.21 H new ATOM 703 N VAL A 48 -5.135 2.856 -54.169 1.00 1.43 N ATOM 704 CA VAL A 48 -5.058 2.307 -52.823 1.00 41.03 C ATOM 705 C VAL A 48 -4.636 0.841 -52.864 1.00 2.14 C ATOM 706 O VAL A 48 -4.431 0.269 -53.934 1.00 5.01 O ATOM 707 CB VAL A 48 -6.420 2.436 -52.102 1.00 25.31 C ATOM 708 CG1 VAL A 48 -6.846 3.899 -52.017 1.00 2.44 C ATOM 709 CG2 VAL A 48 -7.485 1.607 -52.815 1.00 31.14 C ATOM 0 H VAL A 48 -5.786 2.361 -54.778 1.00 1.43 H new ATOM 0 HA VAL A 48 -4.310 2.876 -52.271 1.00 41.03 H new ATOM 0 HB VAL A 48 -6.309 2.052 -51.088 1.00 25.31 H new ATOM 0 HG11 VAL A 48 -7.807 3.969 -51.507 1.00 2.44 H new ATOM 0 HG12 VAL A 48 -6.098 4.464 -51.461 1.00 2.44 H new ATOM 0 HG13 VAL A 48 -6.939 4.310 -53.022 1.00 2.44 H new ATOM 0 HG21 VAL A 48 -8.436 1.710 -52.293 1.00 31.14 H new ATOM 0 HG22 VAL A 48 -7.594 1.959 -53.841 1.00 31.14 H new ATOM 0 HG23 VAL A 48 -7.186 0.559 -52.821 1.00 31.14 H new ATOM 719 N HIS A 49 -4.495 0.246 -51.692 1.00 0.12 N ATOM 720 CA HIS A 49 -4.077 -1.144 -51.567 1.00 21.40 C ATOM 721 C HIS A 49 -4.747 -1.762 -50.340 1.00 62.51 C ATOM 722 O HIS A 49 -4.816 -1.126 -49.291 1.00 12.42 O ATOM 723 CB HIS A 49 -2.545 -1.197 -51.450 1.00 65.53 C ATOM 724 CG HIS A 49 -1.947 -2.570 -51.508 1.00 3.22 C ATOM 725 ND1 HIS A 49 -0.754 -2.890 -50.899 1.00 4.14 N ATOM 726 CD2 HIS A 49 -2.356 -3.695 -52.143 1.00 44.34 C ATOM 727 CE1 HIS A 49 -0.453 -4.146 -51.158 1.00 71.41 C ATOM 728 NE2 HIS A 49 -1.409 -4.660 -51.910 1.00 60.41 N ATOM 0 H HIS A 49 -4.666 0.710 -50.800 1.00 0.12 H new ATOM 0 HA HIS A 49 -4.378 -1.715 -52.446 1.00 21.40 H new ATOM 0 HB2 HIS A 49 -2.115 -0.597 -52.252 1.00 65.53 H new ATOM 0 HB3 HIS A 49 -2.252 -0.730 -50.510 1.00 65.53 H new ATOM 0 HD1 HIS A 49 -0.191 -2.253 -50.335 1.00 4.14 H new ATOM 0 HD2 HIS A 49 -3.259 -3.810 -52.724 1.00 44.34 H new ATOM 0 HE1 HIS A 49 0.428 -4.668 -50.813 1.00 71.41 H new ATOM 737 N TYR A 50 -5.256 -2.988 -50.477 1.00 14.34 N ATOM 738 CA TYR A 50 -5.995 -3.647 -49.395 1.00 11.42 C ATOM 739 C TYR A 50 -5.412 -5.022 -49.091 1.00 70.24 C ATOM 740 O TYR A 50 -4.818 -5.663 -49.963 1.00 63.33 O ATOM 741 CB TYR A 50 -7.474 -3.839 -49.774 1.00 61.52 C ATOM 742 CG TYR A 50 -8.225 -2.568 -50.120 1.00 44.20 C ATOM 743 CD1 TYR A 50 -8.601 -1.668 -49.131 1.00 71.34 C ATOM 744 CD2 TYR A 50 -8.586 -2.285 -51.434 1.00 44.43 C ATOM 745 CE1 TYR A 50 -9.308 -0.523 -49.439 1.00 2.23 C ATOM 746 CE2 TYR A 50 -9.290 -1.139 -51.748 1.00 51.13 C ATOM 747 CZ TYR A 50 -9.652 -0.264 -50.748 1.00 62.13 C ATOM 748 OH TYR A 50 -10.358 0.875 -51.057 1.00 33.15 O ATOM 0 H TYR A 50 -5.171 -3.546 -51.327 1.00 14.34 H new ATOM 0 HA TYR A 50 -5.912 -3.003 -48.520 1.00 11.42 H new ATOM 0 HB2 TYR A 50 -7.529 -4.517 -50.626 1.00 61.52 H new ATOM 0 HB3 TYR A 50 -7.984 -4.328 -48.944 1.00 61.52 H new ATOM 0 HD1 TYR A 50 -8.336 -1.867 -48.103 1.00 71.34 H new ATOM 0 HD2 TYR A 50 -8.311 -2.972 -52.220 1.00 44.43 H new ATOM 0 HE1 TYR A 50 -9.590 0.167 -48.657 1.00 2.23 H new ATOM 0 HE2 TYR A 50 -9.556 -0.930 -52.774 1.00 51.13 H new ATOM 0 HH TYR A 50 -10.395 0.983 -52.030 1.00 33.15 H new ATOM 758 N ASP A 51 -5.578 -5.457 -47.845 1.00 4.52 N ATOM 759 CA ASP A 51 -5.347 -6.849 -47.464 1.00 51.23 C ATOM 760 C ASP A 51 -6.361 -7.238 -46.382 1.00 52.23 C ATOM 761 O ASP A 51 -6.865 -6.365 -45.667 1.00 72.43 O ATOM 762 CB ASP A 51 -3.902 -7.060 -46.971 1.00 43.42 C ATOM 763 CG ASP A 51 -3.410 -8.492 -47.181 1.00 52.30 C ATOM 764 OD1 ASP A 51 -4.225 -9.430 -47.117 1.00 54.15 O ATOM 765 OD2 ASP A 51 -2.205 -8.681 -47.449 1.00 62.22 O ATOM 0 H ASP A 51 -5.875 -4.859 -47.074 1.00 4.52 H new ATOM 0 HA ASP A 51 -5.482 -7.489 -48.336 1.00 51.23 H new ATOM 0 HB2 ASP A 51 -3.239 -6.372 -47.496 1.00 43.42 H new ATOM 0 HB3 ASP A 51 -3.844 -6.812 -45.911 1.00 43.42 H new ATOM 770 N GLY A 52 -6.664 -8.532 -46.265 1.00 64.23 N ATOM 771 CA GLY A 52 -7.728 -8.985 -45.374 1.00 20.04 C ATOM 772 C GLY A 52 -7.217 -9.848 -44.235 1.00 41.33 C ATOM 773 O GLY A 52 -6.450 -10.789 -44.455 1.00 22.22 O ATOM 0 H GLY A 52 -6.190 -9.279 -46.773 1.00 64.23 H new ATOM 0 HA2 GLY A 52 -8.244 -8.118 -44.963 1.00 20.04 H new ATOM 0 HA3 GLY A 52 -8.462 -9.549 -45.950 1.00 20.04 H new ATOM 777 N ARG A 53 -7.658 -9.542 -43.018 1.00 44.32 N ATOM 778 CA ARG A 53 -7.229 -10.267 -41.828 1.00 1.42 C ATOM 779 C ARG A 53 -8.395 -10.449 -40.848 1.00 33.53 C ATOM 780 O ARG A 53 -9.270 -9.582 -40.719 1.00 63.13 O ATOM 781 CB ARG A 53 -6.080 -9.515 -41.137 1.00 71.31 C ATOM 782 CG ARG A 53 -5.462 -10.270 -39.962 1.00 52.10 C ATOM 783 CD ARG A 53 -4.441 -9.428 -39.203 1.00 42.02 C ATOM 784 NE ARG A 53 -3.329 -8.985 -40.051 1.00 21.24 N ATOM 785 CZ ARG A 53 -2.064 -9.387 -39.907 1.00 61.51 C ATOM 786 NH1 ARG A 53 -1.747 -10.316 -39.011 1.00 32.45 N ATOM 787 NH2 ARG A 53 -1.117 -8.867 -40.671 1.00 4.41 N ATOM 0 H ARG A 53 -8.319 -8.788 -42.830 1.00 44.32 H new ATOM 0 HA ARG A 53 -6.880 -11.252 -42.137 1.00 1.42 H new ATOM 0 HB2 ARG A 53 -5.302 -9.307 -41.871 1.00 71.31 H new ATOM 0 HB3 ARG A 53 -6.450 -8.553 -40.783 1.00 71.31 H new ATOM 0 HG2 ARG A 53 -6.252 -10.582 -39.279 1.00 52.10 H new ATOM 0 HG3 ARG A 53 -4.981 -11.177 -40.329 1.00 52.10 H new ATOM 0 HD2 ARG A 53 -4.939 -8.556 -38.779 1.00 42.02 H new ATOM 0 HD3 ARG A 53 -4.047 -10.008 -38.368 1.00 42.02 H new ATOM 0 HE ARG A 53 -3.536 -8.326 -40.801 1.00 21.24 H new ATOM 0 HH11 ARG A 53 -2.473 -10.729 -38.426 1.00 32.45 H new ATOM 0 HH12 ARG A 53 -0.778 -10.616 -38.909 1.00 32.45 H new ATOM 0 HH21 ARG A 53 -1.354 -8.161 -41.368 1.00 4.41 H new ATOM 0 HH22 ARG A 53 -0.150 -9.172 -40.563 1.00 4.41 H new ATOM 801 N PHE A 54 -8.403 -11.588 -40.166 1.00 54.13 N ATOM 802 CA PHE A 54 -9.383 -11.866 -39.122 1.00 71.03 C ATOM 803 C PHE A 54 -8.952 -11.185 -37.820 1.00 14.50 C ATOM 804 O PHE A 54 -7.755 -11.051 -37.557 1.00 62.12 O ATOM 805 CB PHE A 54 -9.532 -13.381 -38.914 1.00 75.12 C ATOM 806 CG PHE A 54 -10.062 -14.111 -40.127 1.00 4.21 C ATOM 807 CD1 PHE A 54 -9.198 -14.582 -41.106 1.00 10.32 C ATOM 808 CD2 PHE A 54 -11.423 -14.328 -40.286 1.00 43.03 C ATOM 809 CE1 PHE A 54 -9.677 -15.251 -42.215 1.00 10.31 C ATOM 810 CE2 PHE A 54 -11.910 -14.997 -41.395 1.00 64.24 C ATOM 811 CZ PHE A 54 -11.035 -15.460 -42.360 1.00 33.43 C ATOM 0 H PHE A 54 -7.734 -12.342 -40.320 1.00 54.13 H new ATOM 0 HA PHE A 54 -10.351 -11.469 -39.427 1.00 71.03 H new ATOM 0 HB2 PHE A 54 -8.562 -13.799 -38.644 1.00 75.12 H new ATOM 0 HB3 PHE A 54 -10.201 -13.559 -38.072 1.00 75.12 H new ATOM 0 HD1 PHE A 54 -8.135 -14.423 -40.999 1.00 10.32 H new ATOM 0 HD2 PHE A 54 -12.111 -13.970 -39.535 1.00 43.03 H new ATOM 0 HE1 PHE A 54 -8.991 -15.610 -42.968 1.00 10.31 H new ATOM 0 HE2 PHE A 54 -12.972 -15.157 -41.507 1.00 64.24 H new ATOM 0 HZ PHE A 54 -11.412 -15.984 -43.226 1.00 33.43 H new ATOM 821 N PRO A 55 -9.920 -10.737 -36.991 1.00 32.51 N ATOM 822 CA PRO A 55 -9.640 -9.950 -35.776 1.00 12.25 C ATOM 823 C PRO A 55 -8.653 -10.630 -34.822 1.00 74.21 C ATOM 824 O PRO A 55 -7.977 -9.959 -34.037 1.00 2.34 O ATOM 825 CB PRO A 55 -11.025 -9.789 -35.112 1.00 42.22 C ATOM 826 CG PRO A 55 -11.898 -10.804 -35.771 1.00 14.43 C ATOM 827 CD PRO A 55 -11.368 -10.950 -37.170 1.00 41.45 C ATOM 0 HA PRO A 55 -9.160 -9.003 -36.024 1.00 12.25 H new ATOM 0 HB2 PRO A 55 -10.968 -9.958 -34.037 1.00 42.22 H new ATOM 0 HB3 PRO A 55 -11.415 -8.782 -35.256 1.00 42.22 H new ATOM 0 HG2 PRO A 55 -11.864 -11.754 -35.238 1.00 14.43 H new ATOM 0 HG3 PRO A 55 -12.939 -10.480 -35.778 1.00 14.43 H new ATOM 0 HD2 PRO A 55 -11.584 -11.935 -37.584 1.00 41.45 H new ATOM 0 HD3 PRO A 55 -11.805 -10.216 -37.847 1.00 41.45 H new ATOM 835 N ASP A 56 -8.563 -11.955 -34.888 1.00 72.30 N ATOM 836 CA ASP A 56 -7.682 -12.703 -33.993 1.00 2.21 C ATOM 837 C ASP A 56 -6.222 -12.532 -34.411 1.00 31.10 C ATOM 838 O ASP A 56 -5.326 -12.484 -33.565 1.00 51.45 O ATOM 839 CB ASP A 56 -8.053 -14.191 -33.976 1.00 33.21 C ATOM 840 CG ASP A 56 -7.547 -14.940 -35.199 1.00 3.34 C ATOM 841 OD1 ASP A 56 -8.073 -14.703 -36.305 1.00 33.45 O ATOM 842 OD2 ASP A 56 -6.604 -15.752 -35.062 1.00 1.05 O ATOM 0 H ASP A 56 -9.086 -12.531 -35.548 1.00 72.30 H new ATOM 0 HA ASP A 56 -7.809 -12.304 -32.987 1.00 2.21 H new ATOM 0 HB2 ASP A 56 -7.643 -14.653 -33.078 1.00 33.21 H new ATOM 0 HB3 ASP A 56 -9.137 -14.290 -33.918 1.00 33.21 H new ATOM 847 N GLY A 57 -5.994 -12.436 -35.721 1.00 5.43 N ATOM 848 CA GLY A 57 -4.645 -12.292 -36.249 1.00 3.42 C ATOM 849 C GLY A 57 -4.381 -13.201 -37.439 1.00 52.54 C ATOM 850 O GLY A 57 -3.373 -13.046 -38.134 1.00 13.40 O ATOM 0 H GLY A 57 -6.726 -12.456 -36.431 1.00 5.43 H new ATOM 0 HA2 GLY A 57 -4.484 -11.256 -36.546 1.00 3.42 H new ATOM 0 HA3 GLY A 57 -3.925 -12.513 -35.461 1.00 3.42 H new ATOM 854 N LYS A 58 -5.279 -14.156 -37.666 1.00 22.23 N ATOM 855 CA LYS A 58 -5.162 -15.085 -38.788 1.00 64.14 C ATOM 856 C LYS A 58 -5.539 -14.393 -40.101 1.00 44.42 C ATOM 857 O LYS A 58 -6.394 -13.507 -40.118 1.00 32.12 O ATOM 858 CB LYS A 58 -6.076 -16.299 -38.549 1.00 2.04 C ATOM 859 CG LYS A 58 -6.045 -17.345 -39.663 1.00 64.13 C ATOM 860 CD LYS A 58 -7.031 -18.481 -39.395 1.00 2.12 C ATOM 861 CE LYS A 58 -7.037 -19.511 -40.520 1.00 51.22 C ATOM 862 NZ LYS A 58 -5.717 -20.184 -40.670 1.00 12.14 N ATOM 0 H LYS A 58 -6.102 -14.308 -37.083 1.00 22.23 H new ATOM 0 HA LYS A 58 -4.128 -15.420 -38.862 1.00 64.14 H new ATOM 0 HB2 LYS A 58 -5.788 -16.776 -37.612 1.00 2.04 H new ATOM 0 HB3 LYS A 58 -7.101 -15.948 -38.426 1.00 2.04 H new ATOM 0 HG2 LYS A 58 -6.285 -16.871 -40.615 1.00 64.13 H new ATOM 0 HG3 LYS A 58 -5.037 -17.751 -39.754 1.00 64.13 H new ATOM 0 HD2 LYS A 58 -6.773 -18.971 -38.456 1.00 2.12 H new ATOM 0 HD3 LYS A 58 -8.033 -18.070 -39.275 1.00 2.12 H new ATOM 0 HE2 LYS A 58 -7.805 -20.259 -40.322 1.00 51.22 H new ATOM 0 HE3 LYS A 58 -7.303 -19.022 -41.457 1.00 51.22 H new ATOM 0 HZ1 LYS A 58 -5.806 -20.977 -41.337 1.00 12.14 H new ATOM 0 HZ2 LYS A 58 -5.019 -19.503 -41.033 1.00 12.14 H new ATOM 0 HZ3 LYS A 58 -5.403 -20.542 -39.746 1.00 12.14 H new ATOM 876 N GLN A 59 -4.895 -14.789 -41.195 1.00 62.31 N ATOM 877 CA GLN A 59 -5.231 -14.275 -42.521 1.00 30.32 C ATOM 878 C GLN A 59 -5.248 -15.423 -43.532 1.00 0.55 C ATOM 879 O GLN A 59 -4.293 -16.199 -43.626 1.00 71.44 O ATOM 880 CB GLN A 59 -4.255 -13.164 -42.948 1.00 41.23 C ATOM 881 CG GLN A 59 -2.780 -13.543 -42.856 1.00 10.35 C ATOM 882 CD GLN A 59 -1.853 -12.404 -43.257 1.00 72.33 C ATOM 883 OE1 GLN A 59 -2.182 -11.229 -43.097 1.00 24.21 O ATOM 884 NE2 GLN A 59 -0.679 -12.745 -43.769 1.00 55.00 N ATOM 0 H GLN A 59 -4.134 -15.468 -41.190 1.00 62.31 H new ATOM 0 HA GLN A 59 -6.226 -13.831 -42.485 1.00 30.32 H new ATOM 0 HB2 GLN A 59 -4.479 -12.877 -43.975 1.00 41.23 H new ATOM 0 HB3 GLN A 59 -4.430 -12.286 -42.326 1.00 41.23 H new ATOM 0 HG2 GLN A 59 -2.551 -13.850 -41.835 1.00 10.35 H new ATOM 0 HG3 GLN A 59 -2.590 -14.403 -43.498 1.00 10.35 H new ATOM 0 HE21 GLN A 59 -0.441 -13.730 -43.887 1.00 55.00 H new ATOM 0 HE22 GLN A 59 -0.014 -12.023 -44.045 1.00 55.00 H new ATOM 893 N PHE A 60 -6.353 -15.533 -44.264 1.00 4.41 N ATOM 894 CA PHE A 60 -6.569 -16.640 -45.198 1.00 50.42 C ATOM 895 C PHE A 60 -5.602 -16.574 -46.382 1.00 13.13 C ATOM 896 O PHE A 60 -5.141 -17.605 -46.878 1.00 51.22 O ATOM 897 CB PHE A 60 -8.025 -16.640 -45.694 1.00 41.42 C ATOM 898 CG PHE A 60 -8.428 -15.385 -46.439 1.00 61.13 C ATOM 899 CD1 PHE A 60 -8.784 -14.233 -45.752 1.00 40.54 C ATOM 900 CD2 PHE A 60 -8.446 -15.360 -47.828 1.00 12.31 C ATOM 901 CE1 PHE A 60 -9.146 -13.085 -46.432 1.00 73.53 C ATOM 902 CE2 PHE A 60 -8.810 -14.216 -48.513 1.00 10.14 C ATOM 903 CZ PHE A 60 -9.159 -13.077 -47.814 1.00 13.11 C ATOM 0 H PHE A 60 -7.121 -14.863 -44.229 1.00 4.41 H new ATOM 0 HA PHE A 60 -6.374 -17.570 -44.664 1.00 50.42 H new ATOM 0 HB2 PHE A 60 -8.174 -17.500 -46.347 1.00 41.42 H new ATOM 0 HB3 PHE A 60 -8.688 -16.770 -44.839 1.00 41.42 H new ATOM 0 HD1 PHE A 60 -8.778 -14.233 -44.672 1.00 40.54 H new ATOM 0 HD2 PHE A 60 -8.172 -16.247 -48.380 1.00 12.31 H new ATOM 0 HE1 PHE A 60 -9.418 -12.195 -45.884 1.00 73.53 H new ATOM 0 HE2 PHE A 60 -8.822 -14.213 -49.593 1.00 10.14 H new ATOM 0 HZ PHE A 60 -9.442 -12.181 -48.347 1.00 13.11 H new ATOM 913 N ASP A 61 -5.309 -15.359 -46.832 1.00 72.13 N ATOM 914 CA ASP A 61 -4.404 -15.144 -47.958 1.00 21.25 C ATOM 915 C ASP A 61 -3.988 -13.680 -48.013 1.00 45.30 C ATOM 916 O ASP A 61 -4.834 -12.790 -47.932 1.00 20.32 O ATOM 917 CB ASP A 61 -5.072 -15.558 -49.279 1.00 71.44 C ATOM 918 CG ASP A 61 -4.195 -15.288 -50.494 1.00 31.53 C ATOM 919 OD1 ASP A 61 -3.103 -15.892 -50.594 1.00 45.10 O ATOM 920 OD2 ASP A 61 -4.602 -14.492 -51.367 1.00 42.41 O ATOM 0 H ASP A 61 -5.688 -14.501 -46.431 1.00 72.13 H new ATOM 0 HA ASP A 61 -3.518 -15.762 -47.817 1.00 21.25 H new ATOM 0 HB2 ASP A 61 -5.315 -16.620 -49.241 1.00 71.44 H new ATOM 0 HB3 ASP A 61 -6.013 -15.020 -49.389 1.00 71.44 H new ATOM 925 N SER A 62 -2.691 -13.439 -48.140 1.00 2.52 N ATOM 926 CA SER A 62 -2.159 -12.085 -48.125 1.00 22.13 C ATOM 927 C SER A 62 -2.202 -11.471 -49.525 1.00 22.13 C ATOM 928 O SER A 62 -1.469 -11.889 -50.430 1.00 25.20 O ATOM 929 CB SER A 62 -0.725 -12.084 -47.579 1.00 73.41 C ATOM 930 OG SER A 62 -0.278 -10.760 -47.339 1.00 51.41 O ATOM 0 H SER A 62 -1.986 -14.167 -48.255 1.00 2.52 H new ATOM 0 HA SER A 62 -2.781 -11.477 -47.469 1.00 22.13 H new ATOM 0 HB2 SER A 62 -0.683 -12.660 -46.655 1.00 73.41 H new ATOM 0 HB3 SER A 62 -0.060 -12.574 -48.290 1.00 73.41 H new ATOM 0 HG SER A 62 -0.998 -10.129 -47.547 1.00 51.41 H new ATOM 936 N SER A 63 -3.059 -10.472 -49.698 1.00 2.54 N ATOM 937 CA SER A 63 -3.230 -9.813 -50.987 1.00 61.15 C ATOM 938 C SER A 63 -2.110 -8.801 -51.246 1.00 30.33 C ATOM 939 O SER A 63 -1.900 -8.366 -52.382 1.00 20.53 O ATOM 940 CB SER A 63 -4.602 -9.131 -51.040 1.00 5.12 C ATOM 941 OG SER A 63 -5.641 -10.076 -50.817 1.00 11.23 O ATOM 0 H SER A 63 -3.650 -10.098 -48.956 1.00 2.54 H new ATOM 0 HA SER A 63 -3.177 -10.567 -51.772 1.00 61.15 H new ATOM 0 HB2 SER A 63 -4.652 -8.344 -50.288 1.00 5.12 H new ATOM 0 HB3 SER A 63 -4.739 -8.654 -52.010 1.00 5.12 H new ATOM 0 HG SER A 63 -6.509 -9.622 -50.853 1.00 11.23 H new ATOM 947 N ARG A 64 -1.378 -8.443 -50.195 1.00 62.05 N ATOM 948 CA ARG A 64 -0.302 -7.461 -50.309 1.00 51.31 C ATOM 949 C ARG A 64 0.853 -8.017 -51.141 1.00 11.31 C ATOM 950 O ARG A 64 1.510 -7.281 -51.875 1.00 41.21 O ATOM 951 CB ARG A 64 0.183 -7.022 -48.913 1.00 11.31 C ATOM 952 CG ARG A 64 1.150 -7.993 -48.233 1.00 31.34 C ATOM 953 CD ARG A 64 1.269 -7.719 -46.734 1.00 61.25 C ATOM 954 NE ARG A 64 0.037 -8.082 -46.036 1.00 63.21 N ATOM 955 CZ ARG A 64 -0.429 -7.495 -44.935 1.00 44.35 C ATOM 956 NH1 ARG A 64 0.203 -6.458 -44.397 1.00 70.45 N ATOM 957 NH2 ARG A 64 -1.554 -7.937 -44.392 1.00 74.42 N ATOM 0 H ARG A 64 -1.509 -8.817 -49.255 1.00 62.05 H new ATOM 0 HA ARG A 64 -0.693 -6.583 -50.823 1.00 51.31 H new ATOM 0 HB2 ARG A 64 0.669 -6.050 -49.002 1.00 11.31 H new ATOM 0 HB3 ARG A 64 -0.686 -6.886 -48.269 1.00 11.31 H new ATOM 0 HG2 ARG A 64 0.808 -9.016 -48.389 1.00 31.34 H new ATOM 0 HG3 ARG A 64 2.133 -7.911 -48.697 1.00 31.34 H new ATOM 0 HD2 ARG A 64 2.105 -8.285 -46.322 1.00 61.25 H new ATOM 0 HD3 ARG A 64 1.487 -6.664 -46.570 1.00 61.25 H new ATOM 0 HE ARG A 64 -0.512 -8.849 -46.425 1.00 63.21 H new ATOM 0 HH11 ARG A 64 1.056 -6.102 -44.827 1.00 70.45 H new ATOM 0 HH12 ARG A 64 -0.165 -6.018 -43.554 1.00 70.45 H new ATOM 0 HH21 ARG A 64 -2.053 -8.718 -44.817 1.00 74.42 H new ATOM 0 HH22 ARG A 64 -1.921 -7.496 -43.549 1.00 74.42 H new ATOM 971 N SER A 65 1.057 -9.329 -51.056 1.00 10.31 N ATOM 972 CA SER A 65 2.176 -9.983 -51.728 1.00 43.24 C ATOM 973 C SER A 65 2.015 -9.931 -53.253 1.00 30.11 C ATOM 974 O SER A 65 2.997 -10.037 -53.992 1.00 40.21 O ATOM 975 CB SER A 65 2.295 -11.436 -51.252 1.00 13.31 C ATOM 976 OG SER A 65 3.478 -12.047 -51.747 1.00 52.33 O ATOM 0 H SER A 65 0.459 -9.963 -50.526 1.00 10.31 H new ATOM 0 HA SER A 65 3.090 -9.447 -51.471 1.00 43.24 H new ATOM 0 HB2 SER A 65 2.297 -11.465 -50.162 1.00 13.31 H new ATOM 0 HB3 SER A 65 1.425 -12.002 -51.584 1.00 13.31 H new ATOM 0 HG SER A 65 3.528 -12.972 -51.426 1.00 52.33 H new ATOM 982 N ARG A 66 0.776 -9.757 -53.721 1.00 45.31 N ATOM 983 CA ARG A 66 0.506 -9.676 -55.159 1.00 14.00 C ATOM 984 C ARG A 66 0.915 -8.312 -55.722 1.00 1.23 C ATOM 985 O ARG A 66 0.906 -8.104 -56.938 1.00 33.32 O ATOM 986 CB ARG A 66 -0.972 -9.995 -55.450 1.00 41.14 C ATOM 987 CG ARG A 66 -1.281 -11.493 -55.383 1.00 42.33 C ATOM 988 CD ARG A 66 -2.739 -11.816 -55.706 1.00 1.51 C ATOM 989 NE ARG A 66 -3.644 -11.528 -54.588 1.00 14.23 N ATOM 990 CZ ARG A 66 -3.926 -12.397 -53.613 1.00 13.50 C ATOM 991 NH1 ARG A 66 -3.360 -13.598 -53.597 1.00 2.55 N ATOM 992 NH2 ARG A 66 -4.788 -12.071 -52.660 1.00 75.44 N ATOM 0 H ARG A 66 -0.051 -9.670 -53.130 1.00 45.31 H new ATOM 0 HA ARG A 66 1.113 -10.426 -55.666 1.00 14.00 H new ATOM 0 HB2 ARG A 66 -1.601 -9.467 -54.733 1.00 41.14 H new ATOM 0 HB3 ARG A 66 -1.232 -9.619 -56.440 1.00 41.14 H new ATOM 0 HG2 ARG A 66 -0.634 -12.024 -56.081 1.00 42.33 H new ATOM 0 HG3 ARG A 66 -1.045 -11.863 -54.385 1.00 42.33 H new ATOM 0 HD2 ARG A 66 -3.050 -11.240 -56.577 1.00 1.51 H new ATOM 0 HD3 ARG A 66 -2.823 -12.869 -55.974 1.00 1.51 H new ATOM 0 HE ARG A 66 -4.085 -10.609 -54.553 1.00 14.23 H new ATOM 0 HH11 ARG A 66 -2.705 -13.863 -54.332 1.00 2.55 H new ATOM 0 HH12 ARG A 66 -3.580 -14.256 -52.849 1.00 2.55 H new ATOM 0 HH21 ARG A 66 -5.237 -11.155 -52.670 1.00 75.44 H new ATOM 0 HH22 ARG A 66 -5.002 -12.736 -51.917 1.00 75.44 H new ATOM 1006 N GLY A 67 1.256 -7.389 -54.821 1.00 34.51 N ATOM 1007 CA GLY A 67 1.881 -6.125 -55.198 1.00 34.10 C ATOM 1008 C GLY A 67 1.072 -5.260 -56.157 1.00 63.33 C ATOM 1009 O GLY A 67 1.577 -4.246 -56.649 1.00 1.24 O ATOM 0 H GLY A 67 1.107 -7.497 -53.818 1.00 34.51 H new ATOM 0 HA2 GLY A 67 2.076 -5.550 -54.292 1.00 34.10 H new ATOM 0 HA3 GLY A 67 2.848 -6.338 -55.654 1.00 34.10 H new ATOM 1013 N LYS A 68 -0.174 -5.637 -56.427 1.00 75.34 N ATOM 1014 CA LYS A 68 -1.027 -4.850 -57.312 1.00 45.14 C ATOM 1015 C LYS A 68 -1.971 -3.976 -56.489 1.00 23.21 C ATOM 1016 O LYS A 68 -2.627 -4.461 -55.563 1.00 4.34 O ATOM 1017 CB LYS A 68 -1.827 -5.751 -58.271 1.00 40.24 C ATOM 1018 CG LYS A 68 -2.776 -4.969 -59.182 1.00 60.33 C ATOM 1019 CD LYS A 68 -3.374 -5.829 -60.293 1.00 74.22 C ATOM 1020 CE LYS A 68 -2.307 -6.347 -61.250 1.00 64.14 C ATOM 1021 NZ LYS A 68 -2.901 -6.941 -62.473 1.00 71.10 N ATOM 0 H LYS A 68 -0.613 -6.476 -56.049 1.00 75.34 H new ATOM 0 HA LYS A 68 -0.386 -4.210 -57.918 1.00 45.14 H new ATOM 0 HB2 LYS A 68 -1.132 -6.323 -58.886 1.00 40.24 H new ATOM 0 HB3 LYS A 68 -2.403 -6.470 -57.688 1.00 40.24 H new ATOM 0 HG2 LYS A 68 -3.582 -4.547 -58.582 1.00 60.33 H new ATOM 0 HG3 LYS A 68 -2.238 -4.132 -59.627 1.00 60.33 H new ATOM 0 HD2 LYS A 68 -3.906 -6.672 -59.852 1.00 74.22 H new ATOM 0 HD3 LYS A 68 -4.107 -5.245 -60.849 1.00 74.22 H new ATOM 0 HE2 LYS A 68 -1.643 -5.529 -61.530 1.00 64.14 H new ATOM 0 HE3 LYS A 68 -1.697 -7.095 -60.743 1.00 64.14 H new ATOM 0 HZ1 LYS A 68 -2.142 -7.281 -63.097 1.00 71.10 H new ATOM 0 HZ2 LYS A 68 -3.515 -7.738 -62.209 1.00 71.10 H new ATOM 0 HZ3 LYS A 68 -3.463 -6.221 -62.971 1.00 71.10 H new ATOM 1035 N PRO A 69 -2.017 -2.666 -56.790 1.00 1.43 N ATOM 1036 CA PRO A 69 -2.947 -1.740 -56.151 1.00 41.05 C ATOM 1037 C PRO A 69 -4.300 -1.704 -56.867 1.00 63.34 C ATOM 1038 O PRO A 69 -4.496 -2.370 -57.884 1.00 73.21 O ATOM 1039 CB PRO A 69 -2.219 -0.403 -56.286 1.00 65.54 C ATOM 1040 CG PRO A 69 -1.481 -0.510 -57.582 1.00 33.42 C ATOM 1041 CD PRO A 69 -1.156 -1.976 -57.775 1.00 34.41 C ATOM 0 HA PRO A 69 -3.185 -2.013 -55.123 1.00 41.05 H new ATOM 0 HB2 PRO A 69 -2.920 0.432 -56.296 1.00 65.54 H new ATOM 0 HB3 PRO A 69 -1.536 -0.236 -55.453 1.00 65.54 H new ATOM 0 HG2 PRO A 69 -2.089 -0.136 -58.406 1.00 33.42 H new ATOM 0 HG3 PRO A 69 -0.571 0.089 -57.560 1.00 33.42 H new ATOM 0 HD2 PRO A 69 -1.373 -2.302 -58.792 1.00 34.41 H new ATOM 0 HD3 PRO A 69 -0.100 -2.178 -57.593 1.00 34.41 H new ATOM 1049 N PHE A 70 -5.219 -0.911 -56.334 1.00 41.12 N ATOM 1050 CA PHE A 70 -6.556 -0.765 -56.897 1.00 52.04 C ATOM 1051 C PHE A 70 -6.928 0.712 -56.947 1.00 55.23 C ATOM 1052 O PHE A 70 -6.725 1.440 -55.976 1.00 31.10 O ATOM 1053 CB PHE A 70 -7.574 -1.550 -56.053 1.00 51.25 C ATOM 1054 CG PHE A 70 -9.007 -1.391 -56.504 1.00 44.01 C ATOM 1055 CD1 PHE A 70 -9.467 -2.021 -57.656 1.00 50.33 C ATOM 1056 CD2 PHE A 70 -9.897 -0.609 -55.778 1.00 54.02 C ATOM 1057 CE1 PHE A 70 -10.778 -1.872 -58.069 1.00 71.23 C ATOM 1058 CE2 PHE A 70 -11.207 -0.458 -56.189 1.00 42.20 C ATOM 1059 CZ PHE A 70 -11.649 -1.090 -57.336 1.00 20.44 C ATOM 0 H PHE A 70 -5.059 -0.349 -55.498 1.00 41.12 H new ATOM 0 HA PHE A 70 -6.568 -1.168 -57.910 1.00 52.04 H new ATOM 0 HB2 PHE A 70 -7.312 -2.608 -56.079 1.00 51.25 H new ATOM 0 HB3 PHE A 70 -7.494 -1.227 -55.015 1.00 51.25 H new ATOM 0 HD1 PHE A 70 -8.792 -2.634 -58.235 1.00 50.33 H new ATOM 0 HD2 PHE A 70 -9.560 -0.112 -54.880 1.00 54.02 H new ATOM 0 HE1 PHE A 70 -11.121 -2.367 -58.965 1.00 71.23 H new ATOM 0 HE2 PHE A 70 -11.886 0.154 -55.614 1.00 42.20 H new ATOM 0 HZ PHE A 70 -12.673 -0.973 -57.658 1.00 20.44 H new ATOM 1069 N GLN A 71 -7.454 1.154 -58.080 1.00 45.33 N ATOM 1070 CA GLN A 71 -7.831 2.553 -58.262 1.00 52.35 C ATOM 1071 C GLN A 71 -9.345 2.703 -58.223 1.00 12.44 C ATOM 1072 O GLN A 71 -10.062 1.936 -58.868 1.00 73.44 O ATOM 1073 CB GLN A 71 -7.297 3.086 -59.597 1.00 41.45 C ATOM 1074 CG GLN A 71 -5.780 3.039 -59.725 1.00 24.22 C ATOM 1075 CD GLN A 71 -5.293 3.527 -61.081 1.00 52.53 C ATOM 1076 OE1 GLN A 71 -5.989 3.389 -62.091 1.00 33.44 O ATOM 1077 NE2 GLN A 71 -4.097 4.096 -61.119 1.00 75.03 N ATOM 0 H GLN A 71 -7.631 0.563 -58.892 1.00 45.33 H new ATOM 0 HA GLN A 71 -7.392 3.131 -57.449 1.00 52.35 H new ATOM 0 HB2 GLN A 71 -7.737 2.507 -60.409 1.00 41.45 H new ATOM 0 HB3 GLN A 71 -7.630 4.116 -59.723 1.00 41.45 H new ATOM 0 HG2 GLN A 71 -5.334 3.651 -58.941 1.00 24.22 H new ATOM 0 HG3 GLN A 71 -5.437 2.017 -59.566 1.00 24.22 H new ATOM 0 HE21 GLN A 71 -3.551 4.193 -60.263 1.00 75.03 H new ATOM 0 HE22 GLN A 71 -3.723 4.438 -62.004 1.00 75.03 H new ATOM 1086 N PHE A 72 -9.832 3.689 -57.473 1.00 73.33 N ATOM 1087 CA PHE A 72 -11.265 3.987 -57.440 1.00 2.55 C ATOM 1088 C PHE A 72 -11.495 5.459 -57.112 1.00 20.34 C ATOM 1089 O PHE A 72 -10.642 6.106 -56.505 1.00 61.22 O ATOM 1090 CB PHE A 72 -11.999 3.083 -56.430 1.00 25.13 C ATOM 1091 CG PHE A 72 -11.799 3.458 -54.981 1.00 43.44 C ATOM 1092 CD1 PHE A 72 -10.679 3.032 -54.283 1.00 1.40 C ATOM 1093 CD2 PHE A 72 -12.741 4.233 -54.314 1.00 73.40 C ATOM 1094 CE1 PHE A 72 -10.504 3.374 -52.957 1.00 5.31 C ATOM 1095 CE2 PHE A 72 -12.567 4.574 -52.991 1.00 1.11 C ATOM 1096 CZ PHE A 72 -11.448 4.146 -52.312 1.00 32.03 C ATOM 0 H PHE A 72 -9.260 4.293 -56.882 1.00 73.33 H new ATOM 0 HA PHE A 72 -11.675 3.783 -58.429 1.00 2.55 H new ATOM 0 HB2 PHE A 72 -13.066 3.105 -56.652 1.00 25.13 H new ATOM 0 HB3 PHE A 72 -11.665 2.056 -56.574 1.00 25.13 H new ATOM 0 HD1 PHE A 72 -9.936 2.427 -54.782 1.00 1.40 H new ATOM 0 HD2 PHE A 72 -13.621 4.572 -54.840 1.00 73.40 H new ATOM 0 HE1 PHE A 72 -9.627 3.037 -52.424 1.00 5.31 H new ATOM 0 HE2 PHE A 72 -13.308 5.177 -52.486 1.00 1.11 H new ATOM 0 HZ PHE A 72 -11.310 4.415 -51.275 1.00 32.03 H new ATOM 1106 N THR A 73 -12.634 5.989 -57.534 1.00 51.11 N ATOM 1107 CA THR A 73 -12.972 7.381 -57.281 1.00 1.20 C ATOM 1108 C THR A 73 -13.375 7.573 -55.817 1.00 62.13 C ATOM 1109 O THR A 73 -14.424 7.090 -55.386 1.00 74.23 O ATOM 1110 CB THR A 73 -14.118 7.842 -58.207 1.00 52.41 C ATOM 1111 OG1 THR A 73 -13.749 7.606 -59.575 1.00 54.54 O ATOM 1112 CG2 THR A 73 -14.439 9.320 -57.999 1.00 75.20 C ATOM 0 H THR A 73 -13.342 5.473 -58.056 1.00 51.11 H new ATOM 0 HA THR A 73 -12.091 7.988 -57.489 1.00 1.20 H new ATOM 0 HB THR A 73 -15.012 7.269 -57.962 1.00 52.41 H new ATOM 0 HG1 THR A 73 -14.476 7.896 -60.165 1.00 54.54 H new ATOM 0 HG21 THR A 73 -15.250 9.614 -58.666 1.00 75.20 H new ATOM 0 HG22 THR A 73 -14.742 9.485 -56.965 1.00 75.20 H new ATOM 0 HG23 THR A 73 -13.555 9.919 -58.218 1.00 75.20 H new ATOM 1120 N LEU A 74 -12.529 8.259 -55.054 1.00 41.42 N ATOM 1121 CA LEU A 74 -12.786 8.489 -53.637 1.00 2.01 C ATOM 1122 C LEU A 74 -13.993 9.407 -53.455 1.00 50.22 C ATOM 1123 O LEU A 74 -14.135 10.404 -54.171 1.00 44.43 O ATOM 1124 CB LEU A 74 -11.547 9.093 -52.965 1.00 4.02 C ATOM 1125 CG LEU A 74 -11.680 9.366 -51.456 1.00 75.13 C ATOM 1126 CD1 LEU A 74 -12.015 8.081 -50.699 1.00 51.31 C ATOM 1127 CD2 LEU A 74 -10.402 9.997 -50.907 1.00 40.31 C ATOM 0 H LEU A 74 -11.658 8.666 -55.395 1.00 41.42 H new ATOM 0 HA LEU A 74 -13.008 7.532 -53.164 1.00 2.01 H new ATOM 0 HB2 LEU A 74 -10.705 8.419 -53.122 1.00 4.02 H new ATOM 0 HB3 LEU A 74 -11.303 10.030 -53.466 1.00 4.02 H new ATOM 0 HG LEU A 74 -12.499 10.070 -51.310 1.00 75.13 H new ATOM 0 HD11 LEU A 74 -12.104 8.298 -49.635 1.00 51.31 H new ATOM 0 HD12 LEU A 74 -12.958 7.677 -51.067 1.00 51.31 H new ATOM 0 HD13 LEU A 74 -11.222 7.350 -50.855 1.00 51.31 H new ATOM 0 HD21 LEU A 74 -10.517 10.182 -49.839 1.00 40.31 H new ATOM 0 HD22 LEU A 74 -9.563 9.320 -51.070 1.00 40.31 H new ATOM 0 HD23 LEU A 74 -10.212 10.940 -51.420 1.00 40.31 H new ATOM 1139 N GLY A 75 -14.860 9.059 -52.505 1.00 21.12 N ATOM 1140 CA GLY A 75 -16.054 9.847 -52.248 1.00 51.53 C ATOM 1141 C GLY A 75 -17.224 9.421 -53.116 1.00 33.31 C ATOM 1142 O GLY A 75 -18.301 10.026 -53.061 1.00 41.10 O ATOM 0 H GLY A 75 -14.755 8.240 -51.906 1.00 21.12 H new ATOM 0 HA2 GLY A 75 -16.330 9.752 -51.198 1.00 51.53 H new ATOM 0 HA3 GLY A 75 -15.837 10.900 -52.426 1.00 51.53 H new ATOM 1146 N ALA A 76 -17.014 8.381 -53.918 1.00 23.41 N ATOM 1147 CA ALA A 76 -18.053 7.848 -54.795 1.00 10.02 C ATOM 1148 C ALA A 76 -18.379 6.408 -54.410 1.00 2.44 C ATOM 1149 O ALA A 76 -17.639 5.783 -53.649 1.00 74.43 O ATOM 1150 CB ALA A 76 -17.610 7.928 -56.254 1.00 13.12 C ATOM 0 H ALA A 76 -16.124 7.886 -53.979 1.00 23.41 H new ATOM 0 HA ALA A 76 -18.954 8.450 -54.678 1.00 10.02 H new ATOM 0 HB1 ALA A 76 -18.395 7.527 -56.895 1.00 13.12 H new ATOM 0 HB2 ALA A 76 -17.420 8.968 -56.520 1.00 13.12 H new ATOM 0 HB3 ALA A 76 -16.698 7.346 -56.390 1.00 13.12 H new ATOM 1156 N GLY A 77 -19.477 5.882 -54.946 1.00 45.30 N ATOM 1157 CA GLY A 77 -19.900 4.524 -54.628 1.00 54.35 C ATOM 1158 C GLY A 77 -19.128 3.477 -55.411 1.00 33.32 C ATOM 1159 O GLY A 77 -19.719 2.594 -56.040 1.00 54.41 O ATOM 0 H GLY A 77 -20.087 6.374 -55.599 1.00 45.30 H new ATOM 0 HA2 GLY A 77 -19.768 4.346 -53.561 1.00 54.35 H new ATOM 0 HA3 GLY A 77 -20.964 4.419 -54.839 1.00 54.35 H new ATOM 1163 N GLU A 78 -17.805 3.584 -55.384 1.00 32.55 N ATOM 1164 CA GLU A 78 -16.930 2.657 -56.092 1.00 75.44 C ATOM 1165 C GLU A 78 -16.779 1.369 -55.291 1.00 54.02 C ATOM 1166 O GLU A 78 -16.889 0.267 -55.829 1.00 2.52 O ATOM 1167 CB GLU A 78 -15.556 3.300 -56.305 1.00 2.50 C ATOM 1168 CG GLU A 78 -15.607 4.649 -57.014 1.00 4.04 C ATOM 1169 CD GLU A 78 -15.982 4.542 -58.482 1.00 63.04 C ATOM 1170 OE1 GLU A 78 -17.188 4.430 -58.792 1.00 75.43 O ATOM 1171 OE2 GLU A 78 -15.069 4.580 -59.338 1.00 1.53 O ATOM 0 H GLU A 78 -17.309 4.314 -54.872 1.00 32.55 H new ATOM 0 HA GLU A 78 -17.370 2.423 -57.061 1.00 75.44 H new ATOM 0 HB2 GLU A 78 -15.072 3.428 -55.337 1.00 2.50 H new ATOM 0 HB3 GLU A 78 -14.933 2.619 -56.885 1.00 2.50 H new ATOM 0 HG2 GLU A 78 -16.328 5.291 -56.508 1.00 4.04 H new ATOM 0 HG3 GLU A 78 -14.634 5.133 -56.929 1.00 4.04 H new ATOM 1178 N VAL A 79 -16.534 1.531 -53.994 1.00 13.45 N ATOM 1179 CA VAL A 79 -16.366 0.411 -53.075 1.00 1.34 C ATOM 1180 C VAL A 79 -17.221 0.629 -51.832 1.00 20.50 C ATOM 1181 O VAL A 79 -17.849 1.682 -51.683 1.00 12.22 O ATOM 1182 CB VAL A 79 -14.880 0.237 -52.650 1.00 22.51 C ATOM 1183 CG1 VAL A 79 -14.000 -0.085 -53.857 1.00 2.53 C ATOM 1184 CG2 VAL A 79 -14.375 1.488 -51.926 1.00 32.01 C ATOM 0 H VAL A 79 -16.446 2.445 -53.550 1.00 13.45 H new ATOM 0 HA VAL A 79 -16.682 -0.494 -53.594 1.00 1.34 H new ATOM 0 HB VAL A 79 -14.822 -0.604 -51.959 1.00 22.51 H new ATOM 0 HG11 VAL A 79 -12.966 -0.202 -53.533 1.00 2.53 H new ATOM 0 HG12 VAL A 79 -14.342 -1.011 -54.320 1.00 2.53 H new ATOM 0 HG13 VAL A 79 -14.064 0.728 -54.581 1.00 2.53 H new ATOM 0 HG21 VAL A 79 -13.334 1.346 -51.637 1.00 32.01 H new ATOM 0 HG22 VAL A 79 -14.453 2.349 -52.590 1.00 32.01 H new ATOM 0 HG23 VAL A 79 -14.978 1.661 -51.035 1.00 32.01 H new ATOM 1194 N ILE A 80 -17.253 -0.366 -50.951 1.00 75.42 N ATOM 1195 CA ILE A 80 -17.990 -0.257 -49.694 1.00 23.41 C ATOM 1196 C ILE A 80 -17.484 0.926 -48.861 1.00 60.52 C ATOM 1197 O ILE A 80 -16.280 1.217 -48.828 1.00 13.14 O ATOM 1198 CB ILE A 80 -17.891 -1.558 -48.856 1.00 73.33 C ATOM 1199 CG1 ILE A 80 -16.419 -1.910 -48.571 1.00 72.25 C ATOM 1200 CG2 ILE A 80 -18.602 -2.708 -49.568 1.00 24.01 C ATOM 1201 CD1 ILE A 80 -16.233 -3.150 -47.722 1.00 43.25 C ATOM 0 H ILE A 80 -16.777 -1.258 -51.083 1.00 75.42 H new ATOM 0 HA ILE A 80 -19.036 -0.092 -49.954 1.00 23.41 H new ATOM 0 HB ILE A 80 -18.388 -1.393 -47.900 1.00 73.33 H new ATOM 0 HG12 ILE A 80 -15.900 -2.051 -49.519 1.00 72.25 H new ATOM 0 HG13 ILE A 80 -15.945 -1.066 -48.071 1.00 72.25 H new ATOM 0 HG21 ILE A 80 -18.523 -3.613 -48.966 1.00 24.01 H new ATOM 0 HG22 ILE A 80 -19.653 -2.456 -49.707 1.00 24.01 H new ATOM 0 HG23 ILE A 80 -18.138 -2.877 -50.540 1.00 24.01 H new ATOM 0 HD11 ILE A 80 -15.169 -3.329 -47.567 1.00 43.25 H new ATOM 0 HD12 ILE A 80 -16.721 -3.007 -46.758 1.00 43.25 H new ATOM 0 HD13 ILE A 80 -16.675 -4.008 -48.229 1.00 43.25 H new ATOM 1213 N LYS A 81 -18.414 1.599 -48.184 1.00 23.20 N ATOM 1214 CA LYS A 81 -18.093 2.768 -47.362 1.00 11.25 C ATOM 1215 C LYS A 81 -17.029 2.449 -46.309 1.00 2.21 C ATOM 1216 O LYS A 81 -16.341 3.350 -45.831 1.00 14.32 O ATOM 1217 CB LYS A 81 -19.363 3.328 -46.697 1.00 0.11 C ATOM 1218 CG LYS A 81 -20.190 4.239 -47.607 1.00 41.11 C ATOM 1219 CD LYS A 81 -19.412 5.500 -47.990 1.00 62.14 C ATOM 1220 CE LYS A 81 -20.230 6.444 -48.866 1.00 73.31 C ATOM 1221 NZ LYS A 81 -20.578 5.834 -50.180 1.00 30.33 N ATOM 0 H LYS A 81 -19.404 1.353 -48.189 1.00 23.20 H new ATOM 0 HA LYS A 81 -17.680 3.529 -48.024 1.00 11.25 H new ATOM 0 HB2 LYS A 81 -19.986 2.496 -46.369 1.00 0.11 H new ATOM 0 HB3 LYS A 81 -19.078 3.885 -45.804 1.00 0.11 H new ATOM 0 HG2 LYS A 81 -20.472 3.696 -48.509 1.00 41.11 H new ATOM 0 HG3 LYS A 81 -21.114 4.519 -47.101 1.00 41.11 H new ATOM 0 HD2 LYS A 81 -19.105 6.023 -47.084 1.00 62.14 H new ATOM 0 HD3 LYS A 81 -18.502 5.216 -48.518 1.00 62.14 H new ATOM 0 HE2 LYS A 81 -21.145 6.721 -48.342 1.00 73.31 H new ATOM 0 HE3 LYS A 81 -19.667 7.362 -49.032 1.00 73.31 H new ATOM 0 HZ1 LYS A 81 -21.029 6.549 -50.786 1.00 30.33 H new ATOM 0 HZ2 LYS A 81 -19.713 5.485 -50.641 1.00 30.33 H new ATOM 0 HZ3 LYS A 81 -21.235 5.042 -50.032 1.00 30.33 H new ATOM 1235 N GLY A 82 -16.900 1.174 -45.951 1.00 34.43 N ATOM 1236 CA GLY A 82 -15.838 0.762 -45.051 1.00 31.53 C ATOM 1237 C GLY A 82 -14.468 1.090 -45.615 1.00 11.44 C ATOM 1238 O GLY A 82 -13.650 1.740 -44.957 1.00 11.05 O ATOM 0 H GLY A 82 -17.511 0.421 -46.268 1.00 34.43 H new ATOM 0 HA2 GLY A 82 -15.964 1.257 -44.088 1.00 31.53 H new ATOM 0 HA3 GLY A 82 -15.910 -0.310 -44.869 1.00 31.53 H new ATOM 1242 N TRP A 83 -14.229 0.662 -46.854 1.00 20.04 N ATOM 1243 CA TRP A 83 -12.958 0.914 -47.524 1.00 54.32 C ATOM 1244 C TRP A 83 -12.828 2.393 -47.871 1.00 71.34 C ATOM 1245 O TRP A 83 -11.748 2.969 -47.752 1.00 52.20 O ATOM 1246 CB TRP A 83 -12.832 0.059 -48.795 1.00 1.15 C ATOM 1247 CG TRP A 83 -12.748 -1.422 -48.532 1.00 60.24 C ATOM 1248 CD1 TRP A 83 -12.515 -2.036 -47.331 1.00 62.11 C ATOM 1249 CD2 TRP A 83 -12.881 -2.473 -49.498 1.00 23.23 C ATOM 1250 NE1 TRP A 83 -12.508 -3.400 -47.493 1.00 5.04 N ATOM 1251 CE2 TRP A 83 -12.727 -3.694 -48.814 1.00 4.34 C ATOM 1252 CE3 TRP A 83 -13.122 -2.501 -50.875 1.00 42.12 C ATOM 1253 CZ2 TRP A 83 -12.803 -4.926 -49.458 1.00 13.44 C ATOM 1254 CZ3 TRP A 83 -13.197 -3.725 -51.515 1.00 3.14 C ATOM 1255 CH2 TRP A 83 -13.038 -4.924 -50.806 1.00 54.32 C ATOM 0 H TRP A 83 -14.902 0.138 -47.414 1.00 20.04 H new ATOM 0 HA TRP A 83 -12.153 0.638 -46.843 1.00 54.32 H new ATOM 0 HB2 TRP A 83 -13.689 0.255 -49.439 1.00 1.15 H new ATOM 0 HB3 TRP A 83 -11.943 0.371 -49.344 1.00 1.15 H new ATOM 0 HD1 TRP A 83 -12.359 -1.523 -46.393 1.00 62.11 H new ATOM 0 HE1 TRP A 83 -12.363 -4.084 -46.750 1.00 5.04 H new ATOM 0 HE3 TRP A 83 -13.247 -1.583 -51.429 1.00 42.12 H new ATOM 0 HZ2 TRP A 83 -12.681 -5.850 -48.913 1.00 13.44 H new ATOM 0 HZ3 TRP A 83 -13.381 -3.758 -52.579 1.00 3.14 H new ATOM 0 HH2 TRP A 83 -13.102 -5.864 -51.334 1.00 54.32 H new ATOM 1266 N ASP A 84 -13.942 2.999 -48.287 1.00 72.43 N ATOM 1267 CA ASP A 84 -13.977 4.434 -48.596 1.00 32.24 C ATOM 1268 C ASP A 84 -13.415 5.242 -47.425 1.00 32.32 C ATOM 1269 O ASP A 84 -12.468 6.013 -47.587 1.00 11.55 O ATOM 1270 CB ASP A 84 -15.415 4.879 -48.911 1.00 51.14 C ATOM 1271 CG ASP A 84 -15.564 6.396 -49.034 1.00 24.20 C ATOM 1272 OD1 ASP A 84 -15.315 6.943 -50.130 1.00 41.55 O ATOM 1273 OD2 ASP A 84 -15.955 7.039 -48.031 1.00 3.24 O ATOM 0 H ASP A 84 -14.833 2.520 -48.418 1.00 72.43 H new ATOM 0 HA ASP A 84 -13.358 4.616 -49.474 1.00 32.24 H new ATOM 0 HB2 ASP A 84 -15.737 4.412 -49.842 1.00 51.14 H new ATOM 0 HB3 ASP A 84 -16.080 4.518 -48.127 1.00 51.14 H new ATOM 1278 N GLN A 85 -13.980 5.029 -46.239 1.00 53.44 N ATOM 1279 CA GLN A 85 -13.518 5.713 -45.034 1.00 73.31 C ATOM 1280 C GLN A 85 -12.085 5.303 -44.698 1.00 50.41 C ATOM 1281 O GLN A 85 -11.253 6.148 -44.356 1.00 43.23 O ATOM 1282 CB GLN A 85 -14.441 5.406 -43.849 1.00 11.22 C ATOM 1283 CG GLN A 85 -15.858 5.933 -44.018 1.00 25.14 C ATOM 1284 CD GLN A 85 -16.731 5.682 -42.801 1.00 22.14 C ATOM 1285 OE1 GLN A 85 -16.244 5.614 -41.670 1.00 20.15 O ATOM 1286 NE2 GLN A 85 -18.029 5.564 -43.021 1.00 2.41 N ATOM 0 H GLN A 85 -14.759 4.388 -46.087 1.00 53.44 H new ATOM 0 HA GLN A 85 -13.540 6.786 -45.226 1.00 73.31 H new ATOM 0 HB2 GLN A 85 -14.480 4.327 -43.702 1.00 11.22 H new ATOM 0 HB3 GLN A 85 -14.010 5.835 -42.945 1.00 11.22 H new ATOM 0 HG2 GLN A 85 -15.821 7.004 -44.217 1.00 25.14 H new ATOM 0 HG3 GLN A 85 -16.314 5.462 -44.889 1.00 25.14 H new ATOM 0 HE21 GLN A 85 -18.393 5.626 -43.972 1.00 2.41 H new ATOM 0 HE22 GLN A 85 -18.667 5.411 -42.240 1.00 2.41 H new ATOM 1295 N GLY A 86 -11.808 4.003 -44.811 1.00 70.40 N ATOM 1296 CA GLY A 86 -10.486 3.480 -44.494 1.00 62.34 C ATOM 1297 C GLY A 86 -9.376 4.213 -45.226 1.00 13.43 C ATOM 1298 O GLY A 86 -8.380 4.612 -44.621 1.00 1.43 O ATOM 0 H GLY A 86 -12.480 3.300 -45.118 1.00 70.40 H new ATOM 0 HA2 GLY A 86 -10.318 3.554 -43.420 1.00 62.34 H new ATOM 0 HA3 GLY A 86 -10.447 2.421 -44.750 1.00 62.34 H new ATOM 1302 N VAL A 87 -9.541 4.385 -46.529 1.00 54.13 N ATOM 1303 CA VAL A 87 -8.567 5.120 -47.328 1.00 50.24 C ATOM 1304 C VAL A 87 -8.690 6.631 -47.099 1.00 54.40 C ATOM 1305 O VAL A 87 -7.696 7.356 -47.115 1.00 10.11 O ATOM 1306 CB VAL A 87 -8.705 4.799 -48.834 1.00 55.44 C ATOM 1307 CG1 VAL A 87 -8.596 3.291 -49.066 1.00 34.31 C ATOM 1308 CG2 VAL A 87 -10.015 5.341 -49.401 1.00 62.31 C ATOM 0 H VAL A 87 -10.338 4.027 -47.056 1.00 54.13 H new ATOM 0 HA VAL A 87 -7.579 4.797 -47.001 1.00 50.24 H new ATOM 0 HB VAL A 87 -7.890 5.294 -49.361 1.00 55.44 H new ATOM 0 HG11 VAL A 87 -8.695 3.079 -50.131 1.00 34.31 H new ATOM 0 HG12 VAL A 87 -7.627 2.938 -48.714 1.00 34.31 H new ATOM 0 HG13 VAL A 87 -9.389 2.780 -48.519 1.00 34.31 H new ATOM 0 HG21 VAL A 87 -10.080 5.098 -50.462 1.00 62.31 H new ATOM 0 HG22 VAL A 87 -10.855 4.889 -48.873 1.00 62.31 H new ATOM 0 HG23 VAL A 87 -10.046 6.423 -49.274 1.00 62.31 H new ATOM 1318 N ALA A 88 -9.917 7.100 -46.868 1.00 43.42 N ATOM 1319 CA ALA A 88 -10.177 8.528 -46.685 1.00 63.54 C ATOM 1320 C ALA A 88 -9.693 9.027 -45.323 1.00 61.41 C ATOM 1321 O ALA A 88 -9.631 10.235 -45.087 1.00 62.12 O ATOM 1322 CB ALA A 88 -11.664 8.821 -46.857 1.00 72.34 C ATOM 0 H ALA A 88 -10.747 6.511 -46.803 1.00 43.42 H new ATOM 0 HA ALA A 88 -9.614 9.064 -47.449 1.00 63.54 H new ATOM 0 HB1 ALA A 88 -11.843 9.887 -46.718 1.00 72.34 H new ATOM 0 HB2 ALA A 88 -11.979 8.527 -47.858 1.00 72.34 H new ATOM 0 HB3 ALA A 88 -12.234 8.258 -46.118 1.00 72.34 H new ATOM 1328 N THR A 89 -9.382 8.103 -44.416 1.00 71.10 N ATOM 1329 CA THR A 89 -8.855 8.475 -43.103 1.00 21.14 C ATOM 1330 C THR A 89 -7.320 8.423 -43.082 1.00 72.32 C ATOM 1331 O THR A 89 -6.705 8.510 -42.013 1.00 61.43 O ATOM 1332 CB THR A 89 -9.430 7.576 -41.973 1.00 10.23 C ATOM 1333 OG1 THR A 89 -9.046 8.082 -40.683 1.00 70.41 O ATOM 1334 CG2 THR A 89 -8.953 6.134 -42.106 1.00 23.35 C ATOM 0 H THR A 89 -9.484 7.099 -44.563 1.00 71.10 H new ATOM 0 HA THR A 89 -9.174 9.501 -42.917 1.00 21.14 H new ATOM 0 HB THR A 89 -10.516 7.594 -42.068 1.00 10.23 H new ATOM 0 HG1 THR A 89 -8.112 8.378 -40.712 1.00 70.41 H new ATOM 0 HG21 THR A 89 -9.375 5.535 -41.299 1.00 23.35 H new ATOM 0 HG22 THR A 89 -9.277 5.730 -43.065 1.00 23.35 H new ATOM 0 HG23 THR A 89 -7.865 6.104 -42.049 1.00 23.35 H new ATOM 1342 N MET A 90 -6.696 8.309 -44.259 1.00 23.21 N ATOM 1343 CA MET A 90 -5.234 8.272 -44.347 1.00 52.35 C ATOM 1344 C MET A 90 -4.711 9.206 -45.440 1.00 34.44 C ATOM 1345 O MET A 90 -5.479 9.923 -46.084 1.00 64.34 O ATOM 1346 CB MET A 90 -4.726 6.844 -44.591 1.00 2.44 C ATOM 1347 CG MET A 90 -5.202 6.213 -45.892 1.00 20.52 C ATOM 1348 SD MET A 90 -4.280 4.721 -46.310 1.00 33.02 S ATOM 1349 CE MET A 90 -4.242 3.889 -44.725 1.00 71.33 C ATOM 0 H MET A 90 -7.176 8.241 -45.156 1.00 23.21 H new ATOM 0 HA MET A 90 -4.850 8.619 -43.388 1.00 52.35 H new ATOM 0 HB2 MET A 90 -3.636 6.855 -44.586 1.00 2.44 H new ATOM 0 HB3 MET A 90 -5.042 6.213 -43.760 1.00 2.44 H new ATOM 0 HG2 MET A 90 -6.261 5.971 -45.809 1.00 20.52 H new ATOM 0 HG3 MET A 90 -5.103 6.937 -46.701 1.00 20.52 H new ATOM 0 HE1 MET A 90 -3.915 2.858 -44.863 1.00 71.33 H new ATOM 0 HE2 MET A 90 -3.549 4.404 -44.060 1.00 71.33 H new ATOM 0 HE3 MET A 90 -5.240 3.897 -44.286 1.00 71.33 H new ATOM 1359 N THR A 91 -3.390 9.192 -45.630 1.00 54.53 N ATOM 1360 CA THR A 91 -2.719 10.077 -46.580 1.00 60.53 C ATOM 1361 C THR A 91 -1.668 9.320 -47.401 1.00 4.54 C ATOM 1362 O THR A 91 -1.473 8.119 -47.213 1.00 62.15 O ATOM 1363 CB THR A 91 -2.050 11.268 -45.851 1.00 2.34 C ATOM 1364 OG1 THR A 91 -1.242 10.793 -44.763 1.00 75.53 O ATOM 1365 CG2 THR A 91 -3.093 12.249 -45.323 1.00 54.53 C ATOM 0 H THR A 91 -2.758 8.567 -45.130 1.00 54.53 H new ATOM 0 HA THR A 91 -3.482 10.459 -47.258 1.00 60.53 H new ATOM 0 HB THR A 91 -1.420 11.789 -46.572 1.00 2.34 H new ATOM 0 HG1 THR A 91 -1.764 10.169 -44.216 1.00 75.53 H new ATOM 0 HG21 THR A 91 -2.593 13.074 -44.816 1.00 54.53 H new ATOM 0 HG22 THR A 91 -3.681 12.637 -46.155 1.00 54.53 H new ATOM 0 HG23 THR A 91 -3.751 11.737 -44.621 1.00 54.53 H new ATOM 1373 N LEU A 92 -1.006 10.035 -48.316 1.00 74.01 N ATOM 1374 CA LEU A 92 0.004 9.452 -49.208 1.00 25.41 C ATOM 1375 C LEU A 92 1.053 8.660 -48.413 1.00 32.24 C ATOM 1376 O LEU A 92 1.673 9.191 -47.483 1.00 31.23 O ATOM 1377 CB LEU A 92 0.682 10.576 -50.024 1.00 14.43 C ATOM 1378 CG LEU A 92 1.412 10.159 -51.324 1.00 74.12 C ATOM 1379 CD1 LEU A 92 2.650 9.306 -51.045 1.00 1.01 C ATOM 1380 CD2 LEU A 92 0.457 9.431 -52.263 1.00 24.41 C ATOM 0 H LEU A 92 -1.154 11.034 -48.460 1.00 74.01 H new ATOM 0 HA LEU A 92 -0.490 8.758 -49.888 1.00 25.41 H new ATOM 0 HB2 LEU A 92 -0.079 11.312 -50.284 1.00 14.43 H new ATOM 0 HB3 LEU A 92 1.402 11.077 -49.377 1.00 14.43 H new ATOM 0 HG LEU A 92 1.756 11.073 -51.809 1.00 74.12 H new ATOM 0 HD11 LEU A 92 3.128 9.039 -51.988 1.00 1.01 H new ATOM 0 HD12 LEU A 92 3.351 9.872 -50.431 1.00 1.01 H new ATOM 0 HD13 LEU A 92 2.355 8.399 -50.517 1.00 1.01 H new ATOM 0 HD21 LEU A 92 0.987 9.145 -53.172 1.00 24.41 H new ATOM 0 HD22 LEU A 92 0.073 8.537 -51.771 1.00 24.41 H new ATOM 0 HD23 LEU A 92 -0.373 10.089 -52.519 1.00 24.41 H new ATOM 1392 N GLY A 93 1.227 7.386 -48.779 1.00 34.21 N ATOM 1393 CA GLY A 93 2.269 6.557 -48.189 1.00 5.55 C ATOM 1394 C GLY A 93 1.842 5.913 -46.886 1.00 72.25 C ATOM 1395 O GLY A 93 2.600 5.150 -46.281 1.00 64.11 O ATOM 0 H GLY A 93 0.658 6.912 -49.480 1.00 34.21 H new ATOM 0 HA2 GLY A 93 2.552 5.779 -48.898 1.00 5.55 H new ATOM 0 HA3 GLY A 93 3.156 7.166 -48.014 1.00 5.55 H new ATOM 1399 N GLU A 94 0.618 6.206 -46.465 1.00 71.34 N ATOM 1400 CA GLU A 94 0.122 5.746 -45.177 1.00 13.03 C ATOM 1401 C GLU A 94 -0.516 4.370 -45.304 1.00 35.11 C ATOM 1402 O GLU A 94 -1.152 4.055 -46.313 1.00 11.33 O ATOM 1403 CB GLU A 94 -0.877 6.762 -44.614 1.00 33.44 C ATOM 1404 CG GLU A 94 -1.244 6.545 -43.147 1.00 42.11 C ATOM 1405 CD GLU A 94 -1.601 7.844 -42.444 1.00 1.35 C ATOM 1406 OE1 GLU A 94 -2.393 8.630 -43.000 1.00 1.51 O ATOM 1407 OE2 GLU A 94 -1.060 8.107 -41.348 1.00 22.02 O ATOM 0 H GLU A 94 -0.050 6.762 -46.999 1.00 71.34 H new ATOM 0 HA GLU A 94 0.961 5.660 -44.486 1.00 13.03 H new ATOM 0 HB2 GLU A 94 -0.460 7.763 -44.727 1.00 33.44 H new ATOM 0 HB3 GLU A 94 -1.788 6.727 -45.212 1.00 33.44 H new ATOM 0 HG2 GLU A 94 -2.087 5.857 -43.084 1.00 42.11 H new ATOM 0 HG3 GLU A 94 -0.408 6.073 -42.631 1.00 42.11 H new ATOM 1414 N LYS A 95 -0.318 3.553 -44.282 1.00 63.35 N ATOM 1415 CA LYS A 95 -0.867 2.206 -44.231 1.00 74.54 C ATOM 1416 C LYS A 95 -1.297 1.899 -42.803 1.00 2.34 C ATOM 1417 O LYS A 95 -0.552 2.171 -41.860 1.00 24.43 O ATOM 1418 CB LYS A 95 0.180 1.200 -44.730 1.00 62.30 C ATOM 1419 CG LYS A 95 -0.254 -0.266 -44.653 1.00 64.33 C ATOM 1420 CD LYS A 95 0.669 -1.163 -45.477 1.00 65.41 C ATOM 1421 CE LYS A 95 2.134 -0.979 -45.095 1.00 1.24 C ATOM 1422 NZ LYS A 95 3.049 -1.641 -46.060 1.00 21.52 N ATOM 0 H LYS A 95 0.231 3.806 -43.460 1.00 63.35 H new ATOM 0 HA LYS A 95 -1.739 2.129 -44.880 1.00 74.54 H new ATOM 0 HB2 LYS A 95 0.428 1.437 -45.764 1.00 62.30 H new ATOM 0 HB3 LYS A 95 1.092 1.326 -44.147 1.00 62.30 H new ATOM 0 HG2 LYS A 95 -0.251 -0.594 -43.614 1.00 64.33 H new ATOM 0 HG3 LYS A 95 -1.278 -0.364 -45.015 1.00 64.33 H new ATOM 0 HD2 LYS A 95 0.385 -2.205 -45.333 1.00 65.41 H new ATOM 0 HD3 LYS A 95 0.540 -0.941 -46.536 1.00 65.41 H new ATOM 0 HE2 LYS A 95 2.365 0.085 -45.048 1.00 1.24 H new ATOM 0 HE3 LYS A 95 2.302 -1.386 -44.098 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 4.034 -1.491 -45.763 1.00 21.52 H new ATOM 0 HZ2 LYS A 95 2.847 -2.661 -46.087 1.00 21.52 H new ATOM 0 HZ3 LYS A 95 2.908 -1.235 -47.007 1.00 21.52 H new ATOM 1436 N ALA A 96 -2.493 1.349 -42.635 1.00 20.50 N ATOM 1437 CA ALA A 96 -3.044 1.122 -41.302 1.00 55.24 C ATOM 1438 C ALA A 96 -3.923 -0.121 -41.259 1.00 22.35 C ATOM 1439 O ALA A 96 -4.573 -0.474 -42.247 1.00 52.31 O ATOM 1440 CB ALA A 96 -3.834 2.347 -40.840 1.00 14.21 C ATOM 0 H ALA A 96 -3.099 1.053 -43.400 1.00 20.50 H new ATOM 0 HA ALA A 96 -2.208 0.958 -40.622 1.00 55.24 H new ATOM 0 HB1 ALA A 96 -4.239 2.164 -39.845 1.00 14.21 H new ATOM 0 HB2 ALA A 96 -3.175 3.215 -40.810 1.00 14.21 H new ATOM 0 HB3 ALA A 96 -4.652 2.536 -41.536 1.00 14.21 H new ATOM 1446 N LEU A 97 -3.925 -0.776 -40.103 1.00 62.33 N ATOM 1447 CA LEU A 97 -4.783 -1.923 -39.849 1.00 4.54 C ATOM 1448 C LEU A 97 -6.093 -1.423 -39.246 1.00 23.15 C ATOM 1449 O LEU A 97 -6.112 -0.928 -38.113 1.00 2.53 O ATOM 1450 CB LEU A 97 -4.056 -2.909 -38.905 1.00 62.35 C ATOM 1451 CG LEU A 97 -4.845 -4.166 -38.470 1.00 23.42 C ATOM 1452 CD1 LEU A 97 -3.896 -5.340 -38.222 1.00 52.33 C ATOM 1453 CD2 LEU A 97 -5.669 -3.885 -37.211 1.00 12.41 C ATOM 0 H LEU A 97 -3.329 -0.524 -39.315 1.00 62.33 H new ATOM 0 HA LEU A 97 -5.007 -2.455 -40.773 1.00 4.54 H new ATOM 0 HB2 LEU A 97 -3.139 -3.236 -39.396 1.00 62.35 H new ATOM 0 HB3 LEU A 97 -3.761 -2.365 -38.008 1.00 62.35 H new ATOM 0 HG LEU A 97 -5.526 -4.429 -39.279 1.00 23.42 H new ATOM 0 HD11 LEU A 97 -4.471 -6.214 -37.917 1.00 52.33 H new ATOM 0 HD12 LEU A 97 -3.350 -5.566 -39.138 1.00 52.33 H new ATOM 0 HD13 LEU A 97 -3.190 -5.077 -37.434 1.00 52.33 H new ATOM 0 HD21 LEU A 97 -6.215 -4.784 -36.925 1.00 12.41 H new ATOM 0 HD22 LEU A 97 -5.004 -3.591 -36.399 1.00 12.41 H new ATOM 0 HD23 LEU A 97 -6.376 -3.080 -37.411 1.00 12.41 H new ATOM 1465 N PHE A 98 -7.180 -1.515 -40.015 1.00 33.43 N ATOM 1466 CA PHE A 98 -8.469 -0.965 -39.593 1.00 22.33 C ATOM 1467 C PHE A 98 -9.543 -2.052 -39.567 1.00 65.01 C ATOM 1468 O PHE A 98 -9.660 -2.855 -40.495 1.00 52.24 O ATOM 1469 CB PHE A 98 -8.886 0.181 -40.532 1.00 14.23 C ATOM 1470 CG PHE A 98 -10.175 0.865 -40.137 1.00 54.22 C ATOM 1471 CD1 PHE A 98 -10.244 1.623 -38.978 1.00 54.43 C ATOM 1472 CD2 PHE A 98 -11.311 0.752 -40.924 1.00 1.45 C ATOM 1473 CE1 PHE A 98 -11.420 2.250 -38.611 1.00 53.50 C ATOM 1474 CE2 PHE A 98 -12.489 1.376 -40.562 1.00 61.40 C ATOM 1475 CZ PHE A 98 -12.544 2.127 -39.404 1.00 43.13 C ATOM 0 H PHE A 98 -7.193 -1.964 -40.931 1.00 33.43 H new ATOM 0 HA PHE A 98 -8.362 -0.572 -38.582 1.00 22.33 H new ATOM 0 HB2 PHE A 98 -8.088 0.922 -40.560 1.00 14.23 H new ATOM 0 HB3 PHE A 98 -8.991 -0.212 -41.543 1.00 14.23 H new ATOM 0 HD1 PHE A 98 -9.368 1.725 -38.354 1.00 54.43 H new ATOM 0 HD2 PHE A 98 -11.274 0.168 -41.832 1.00 1.45 H new ATOM 0 HE1 PHE A 98 -11.460 2.836 -37.705 1.00 53.50 H new ATOM 0 HE2 PHE A 98 -13.366 1.277 -41.184 1.00 61.40 H new ATOM 0 HZ PHE A 98 -13.464 2.617 -39.119 1.00 43.13 H new ATOM 1485 N THR A 99 -10.319 -2.073 -38.490 1.00 0.52 N ATOM 1486 CA THR A 99 -11.410 -3.025 -38.348 1.00 41.40 C ATOM 1487 C THR A 99 -12.626 -2.560 -39.149 1.00 32.20 C ATOM 1488 O THR A 99 -13.137 -1.463 -38.921 1.00 23.33 O ATOM 1489 CB THR A 99 -11.806 -3.187 -36.865 1.00 71.14 C ATOM 1490 OG1 THR A 99 -10.636 -3.432 -36.073 1.00 32.31 O ATOM 1491 CG2 THR A 99 -12.800 -4.332 -36.681 1.00 45.34 C ATOM 0 H THR A 99 -10.211 -1.438 -37.699 1.00 0.52 H new ATOM 0 HA THR A 99 -11.069 -3.987 -38.730 1.00 41.40 H new ATOM 0 HB THR A 99 -12.284 -2.263 -36.539 1.00 71.14 H new ATOM 0 HG1 THR A 99 -10.051 -2.647 -36.103 1.00 32.31 H new ATOM 0 HG21 THR A 99 -13.060 -4.422 -35.626 1.00 45.34 H new ATOM 0 HG22 THR A 99 -13.700 -4.129 -37.261 1.00 45.34 H new ATOM 0 HG23 THR A 99 -12.350 -5.263 -37.024 1.00 45.34 H new ATOM 1499 N ILE A 100 -13.070 -3.383 -40.097 1.00 21.32 N ATOM 1500 CA ILE A 100 -14.251 -3.078 -40.898 1.00 55.40 C ATOM 1501 C ILE A 100 -15.468 -3.822 -40.342 1.00 14.24 C ATOM 1502 O ILE A 100 -15.565 -5.052 -40.471 1.00 1.33 O ATOM 1503 CB ILE A 100 -14.047 -3.461 -42.387 1.00 12.11 C ATOM 1504 CG1 ILE A 100 -12.875 -2.672 -42.992 1.00 60.11 C ATOM 1505 CG2 ILE A 100 -15.324 -3.222 -43.193 1.00 11.45 C ATOM 1506 CD1 ILE A 100 -13.119 -1.179 -43.088 1.00 2.12 C ATOM 0 H ILE A 100 -12.626 -4.271 -40.329 1.00 21.32 H new ATOM 0 HA ILE A 100 -14.418 -2.002 -40.843 1.00 55.40 H new ATOM 0 HB ILE A 100 -13.810 -4.524 -42.432 1.00 12.11 H new ATOM 0 HG12 ILE A 100 -11.984 -2.846 -42.389 1.00 60.11 H new ATOM 0 HG13 ILE A 100 -12.666 -3.060 -43.989 1.00 60.11 H new ATOM 0 HG21 ILE A 100 -15.154 -3.498 -44.234 1.00 11.45 H new ATOM 0 HG22 ILE A 100 -16.132 -3.829 -42.783 1.00 11.45 H new ATOM 0 HG23 ILE A 100 -15.598 -2.168 -43.137 1.00 11.45 H new ATOM 0 HD11 ILE A 100 -12.246 -0.695 -43.525 1.00 2.12 H new ATOM 0 HD12 ILE A 100 -13.990 -0.992 -43.717 1.00 2.12 H new ATOM 0 HD13 ILE A 100 -13.297 -0.775 -42.092 1.00 2.12 H new ATOM 1518 N PRO A 101 -16.397 -3.089 -39.689 1.00 5.44 N ATOM 1519 CA PRO A 101 -17.636 -3.668 -39.162 1.00 42.13 C ATOM 1520 C PRO A 101 -18.496 -4.247 -40.282 1.00 14.34 C ATOM 1521 O PRO A 101 -18.531 -3.702 -41.390 1.00 14.05 O ATOM 1522 CB PRO A 101 -18.347 -2.480 -38.483 1.00 51.24 C ATOM 1523 CG PRO A 101 -17.280 -1.458 -38.275 1.00 0.42 C ATOM 1524 CD PRO A 101 -16.310 -1.643 -39.411 1.00 24.24 C ATOM 0 HA PRO A 101 -17.448 -4.494 -38.476 1.00 42.13 H new ATOM 0 HB2 PRO A 101 -19.150 -2.090 -39.109 1.00 51.24 H new ATOM 0 HB3 PRO A 101 -18.797 -2.778 -37.536 1.00 51.24 H new ATOM 0 HG2 PRO A 101 -17.697 -0.451 -38.277 1.00 0.42 H new ATOM 0 HG3 PRO A 101 -16.787 -1.597 -37.313 1.00 0.42 H new ATOM 0 HD2 PRO A 101 -16.588 -1.047 -40.280 1.00 24.24 H new ATOM 0 HD3 PRO A 101 -15.299 -1.346 -39.131 1.00 24.24 H new ATOM 1532 N TYR A 102 -19.203 -5.333 -39.986 1.00 62.24 N ATOM 1533 CA TYR A 102 -20.006 -6.028 -40.991 1.00 42.32 C ATOM 1534 C TYR A 102 -20.984 -5.078 -41.680 1.00 55.45 C ATOM 1535 O TYR A 102 -21.232 -5.191 -42.879 1.00 63.25 O ATOM 1536 CB TYR A 102 -20.764 -7.203 -40.357 1.00 22.34 C ATOM 1537 CG TYR A 102 -21.734 -6.818 -39.247 1.00 74.23 C ATOM 1538 CD1 TYR A 102 -23.053 -6.474 -39.534 1.00 52.43 C ATOM 1539 CD2 TYR A 102 -21.335 -6.817 -37.913 1.00 34.34 C ATOM 1540 CE1 TYR A 102 -23.940 -6.138 -38.529 1.00 11.43 C ATOM 1541 CE2 TYR A 102 -22.219 -6.486 -36.902 1.00 44.51 C ATOM 1542 CZ TYR A 102 -23.519 -6.148 -37.216 1.00 3.53 C ATOM 1543 OH TYR A 102 -24.404 -5.819 -36.211 1.00 60.43 O ATOM 0 H TYR A 102 -19.237 -5.753 -39.057 1.00 62.24 H new ATOM 0 HA TYR A 102 -19.324 -6.415 -41.748 1.00 42.32 H new ATOM 0 HB2 TYR A 102 -21.318 -7.723 -41.139 1.00 22.34 H new ATOM 0 HB3 TYR A 102 -20.038 -7.910 -39.956 1.00 22.34 H new ATOM 0 HD1 TYR A 102 -23.388 -6.470 -40.561 1.00 52.43 H new ATOM 0 HD2 TYR A 102 -20.318 -7.079 -37.663 1.00 34.34 H new ATOM 0 HE1 TYR A 102 -24.958 -5.869 -38.771 1.00 11.43 H new ATOM 0 HE2 TYR A 102 -21.893 -6.492 -35.872 1.00 44.51 H new ATOM 0 HH TYR A 102 -23.950 -5.876 -35.344 1.00 60.43 H new ATOM 1553 N GLN A 103 -21.511 -4.120 -40.920 1.00 54.01 N ATOM 1554 CA GLN A 103 -22.514 -3.188 -41.430 1.00 73.14 C ATOM 1555 C GLN A 103 -21.939 -2.308 -42.544 1.00 73.11 C ATOM 1556 O GLN A 103 -22.672 -1.840 -43.417 1.00 64.20 O ATOM 1557 CB GLN A 103 -23.055 -2.314 -40.288 1.00 20.21 C ATOM 1558 CG GLN A 103 -21.999 -1.421 -39.639 1.00 52.32 C ATOM 1559 CD GLN A 103 -22.532 -0.635 -38.452 1.00 12.35 C ATOM 1560 OE1 GLN A 103 -23.425 -1.093 -37.738 1.00 44.32 O ATOM 1561 NE2 GLN A 103 -21.997 0.556 -38.237 1.00 41.41 N ATOM 0 H GLN A 103 -21.258 -3.969 -39.943 1.00 54.01 H new ATOM 0 HA GLN A 103 -23.333 -3.771 -41.851 1.00 73.14 H new ATOM 0 HB2 GLN A 103 -23.860 -1.688 -40.673 1.00 20.21 H new ATOM 0 HB3 GLN A 103 -23.490 -2.959 -39.525 1.00 20.21 H new ATOM 0 HG2 GLN A 103 -21.161 -2.037 -39.313 1.00 52.32 H new ATOM 0 HG3 GLN A 103 -21.612 -0.725 -40.384 1.00 52.32 H new ATOM 0 HE21 GLN A 103 -21.259 0.902 -38.850 1.00 41.41 H new ATOM 0 HE22 GLN A 103 -22.323 1.128 -37.458 1.00 41.41 H new ATOM 1570 N LEU A 104 -20.625 -2.100 -42.518 1.00 62.14 N ATOM 1571 CA LEU A 104 -19.956 -1.241 -43.499 1.00 32.30 C ATOM 1572 C LEU A 104 -19.317 -2.072 -44.609 1.00 63.52 C ATOM 1573 O LEU A 104 -18.537 -1.556 -45.413 1.00 31.32 O ATOM 1574 CB LEU A 104 -18.887 -0.379 -42.809 1.00 72.14 C ATOM 1575 CG LEU A 104 -19.412 0.610 -41.755 1.00 20.21 C ATOM 1576 CD1 LEU A 104 -18.261 1.375 -41.106 1.00 1.30 C ATOM 1577 CD2 LEU A 104 -20.424 1.577 -42.377 1.00 71.42 C ATOM 0 H LEU A 104 -19.999 -2.514 -41.828 1.00 62.14 H new ATOM 0 HA LEU A 104 -20.707 -0.590 -43.946 1.00 32.30 H new ATOM 0 HB2 LEU A 104 -18.164 -1.041 -42.332 1.00 72.14 H new ATOM 0 HB3 LEU A 104 -18.350 0.183 -43.573 1.00 72.14 H new ATOM 0 HG LEU A 104 -19.919 0.039 -40.977 1.00 20.21 H new ATOM 0 HD11 LEU A 104 -18.657 2.068 -40.364 1.00 1.30 H new ATOM 0 HD12 LEU A 104 -17.585 0.672 -40.620 1.00 1.30 H new ATOM 0 HD13 LEU A 104 -17.718 1.932 -41.870 1.00 1.30 H new ATOM 0 HD21 LEU A 104 -20.783 2.268 -41.614 1.00 71.42 H new ATOM 0 HD22 LEU A 104 -19.945 2.139 -43.179 1.00 71.42 H new ATOM 0 HD23 LEU A 104 -21.265 1.013 -42.781 1.00 71.42 H new ATOM 1589 N ALA A 105 -19.661 -3.358 -44.656 1.00 62.01 N ATOM 1590 CA ALA A 105 -19.089 -4.276 -45.637 1.00 15.02 C ATOM 1591 C ALA A 105 -20.116 -5.311 -46.081 1.00 14.10 C ATOM 1592 O ALA A 105 -21.278 -5.270 -45.670 1.00 75.53 O ATOM 1593 CB ALA A 105 -17.861 -4.967 -45.055 1.00 53.05 C ATOM 0 H ALA A 105 -20.336 -3.788 -44.023 1.00 62.01 H new ATOM 0 HA ALA A 105 -18.791 -3.698 -46.512 1.00 15.02 H new ATOM 0 HB1 ALA A 105 -17.443 -5.649 -45.795 1.00 53.05 H new ATOM 0 HB2 ALA A 105 -17.115 -4.219 -44.788 1.00 53.05 H new ATOM 0 HB3 ALA A 105 -18.147 -5.528 -44.165 1.00 53.05 H new ATOM 1599 N TYR A 106 -19.672 -6.239 -46.928 1.00 54.43 N ATOM 1600 CA TYR A 106 -20.510 -7.341 -47.399 1.00 22.33 C ATOM 1601 C TYR A 106 -20.697 -8.390 -46.299 1.00 52.22 C ATOM 1602 O TYR A 106 -21.538 -9.285 -46.414 1.00 2.43 O ATOM 1603 CB TYR A 106 -19.883 -7.985 -48.649 1.00 62.33 C ATOM 1604 CG TYR A 106 -18.452 -8.461 -48.443 1.00 72.41 C ATOM 1605 CD1 TYR A 106 -17.375 -7.601 -48.649 1.00 61.54 C ATOM 1606 CD2 TYR A 106 -18.177 -9.765 -48.036 1.00 15.41 C ATOM 1607 CE1 TYR A 106 -16.073 -8.026 -48.457 1.00 50.11 C ATOM 1608 CE2 TYR A 106 -16.879 -10.195 -47.839 1.00 43.13 C ATOM 1609 CZ TYR A 106 -15.831 -9.322 -48.052 1.00 60.03 C ATOM 1610 OH TYR A 106 -14.535 -9.744 -47.853 1.00 3.12 O ATOM 0 H TYR A 106 -18.725 -6.248 -47.306 1.00 54.43 H new ATOM 0 HA TYR A 106 -21.490 -6.942 -47.660 1.00 22.33 H new ATOM 0 HB2 TYR A 106 -20.497 -8.832 -48.957 1.00 62.33 H new ATOM 0 HB3 TYR A 106 -19.902 -7.264 -49.466 1.00 62.33 H new ATOM 0 HD1 TYR A 106 -17.560 -6.585 -48.964 1.00 61.54 H new ATOM 0 HD2 TYR A 106 -18.994 -10.452 -47.872 1.00 15.41 H new ATOM 0 HE1 TYR A 106 -15.250 -7.347 -48.623 1.00 50.11 H new ATOM 0 HE2 TYR A 106 -16.685 -11.208 -47.520 1.00 43.13 H new ATOM 0 HH TYR A 106 -14.536 -10.682 -47.568 1.00 3.12 H new ATOM 1620 N GLY A 107 -19.901 -8.265 -45.234 1.00 75.14 N ATOM 1621 CA GLY A 107 -19.981 -9.186 -44.113 1.00 10.44 C ATOM 1622 C GLY A 107 -21.311 -9.097 -43.388 1.00 30.53 C ATOM 1623 O GLY A 107 -21.648 -9.968 -42.591 1.00 60.22 O ATOM 0 H GLY A 107 -19.197 -7.534 -45.131 1.00 75.14 H new ATOM 0 HA2 GLY A 107 -19.833 -10.205 -44.471 1.00 10.44 H new ATOM 0 HA3 GLY A 107 -19.173 -8.974 -43.413 1.00 10.44 H new ATOM 1627 N GLU A 108 -22.051 -8.026 -43.663 1.00 42.23 N ATOM 1628 CA GLU A 108 -23.394 -7.836 -43.119 1.00 2.53 C ATOM 1629 C GLU A 108 -24.278 -9.027 -43.488 1.00 1.12 C ATOM 1630 O GLU A 108 -24.844 -9.690 -42.613 1.00 70.21 O ATOM 1631 CB GLU A 108 -23.974 -6.510 -43.650 1.00 42.32 C ATOM 1632 CG GLU A 108 -25.421 -6.207 -43.250 1.00 4.21 C ATOM 1633 CD GLU A 108 -26.453 -6.873 -44.154 1.00 31.05 C ATOM 1634 OE1 GLU A 108 -26.482 -6.554 -45.361 1.00 42.51 O ATOM 1635 OE2 GLU A 108 -27.244 -7.708 -43.663 1.00 64.21 O ATOM 0 H GLU A 108 -21.738 -7.267 -44.268 1.00 42.23 H new ATOM 0 HA GLU A 108 -23.354 -7.780 -42.031 1.00 2.53 H new ATOM 0 HB2 GLU A 108 -23.342 -5.693 -43.301 1.00 42.32 H new ATOM 0 HB3 GLU A 108 -23.912 -6.518 -44.738 1.00 42.32 H new ATOM 0 HG2 GLU A 108 -25.582 -6.536 -42.223 1.00 4.21 H new ATOM 0 HG3 GLU A 108 -25.576 -5.128 -43.267 1.00 4.21 H new ATOM 1642 N ARG A 109 -24.367 -9.304 -44.784 1.00 41.24 N ATOM 1643 CA ARG A 109 -25.166 -10.418 -45.284 1.00 2.14 C ATOM 1644 C ARG A 109 -24.357 -11.710 -45.275 1.00 64.15 C ATOM 1645 O ARG A 109 -24.865 -12.767 -44.898 1.00 50.12 O ATOM 1646 CB ARG A 109 -25.658 -10.123 -46.706 1.00 42.44 C ATOM 1647 CG ARG A 109 -26.471 -11.251 -47.339 1.00 24.32 C ATOM 1648 CD ARG A 109 -27.731 -11.569 -46.541 1.00 60.10 C ATOM 1649 NE ARG A 109 -28.595 -10.396 -46.390 1.00 12.51 N ATOM 1650 CZ ARG A 109 -29.924 -10.420 -46.496 1.00 71.52 C ATOM 1651 NH1 ARG A 109 -30.559 -11.543 -46.819 1.00 63.01 N ATOM 1652 NH2 ARG A 109 -30.620 -9.313 -46.293 1.00 72.20 N ATOM 0 H ARG A 109 -23.893 -8.769 -45.512 1.00 41.24 H new ATOM 0 HA ARG A 109 -26.027 -10.541 -44.626 1.00 2.14 H new ATOM 0 HB2 ARG A 109 -26.267 -9.219 -46.687 1.00 42.44 H new ATOM 0 HB3 ARG A 109 -24.796 -9.913 -47.339 1.00 42.44 H new ATOM 0 HG2 ARG A 109 -26.747 -10.971 -48.356 1.00 24.32 H new ATOM 0 HG3 ARG A 109 -25.853 -12.146 -47.411 1.00 24.32 H new ATOM 0 HD2 ARG A 109 -28.284 -12.365 -47.039 1.00 60.10 H new ATOM 0 HD3 ARG A 109 -27.452 -11.943 -45.556 1.00 60.10 H new ATOM 0 HE ARG A 109 -28.150 -9.500 -46.190 1.00 12.51 H new ATOM 0 HH11 ARG A 109 -30.029 -12.398 -46.989 1.00 63.01 H new ATOM 0 HH12 ARG A 109 -31.576 -11.549 -46.897 1.00 63.01 H new ATOM 0 HH21 ARG A 109 -30.140 -8.445 -46.056 1.00 72.20 H new ATOM 0 HH22 ARG A 109 -31.637 -9.328 -46.373 1.00 72.20 H new ATOM 1666 N GLY A 110 -23.096 -11.612 -45.685 1.00 51.44 N ATOM 1667 CA GLY A 110 -22.264 -12.792 -45.816 1.00 74.31 C ATOM 1668 C GLY A 110 -22.546 -13.534 -47.110 1.00 44.44 C ATOM 1669 O GLY A 110 -23.692 -13.595 -47.560 1.00 52.23 O ATOM 0 H GLY A 110 -22.636 -10.735 -45.929 1.00 51.44 H new ATOM 0 HA2 GLY A 110 -21.214 -12.503 -45.783 1.00 74.31 H new ATOM 0 HA3 GLY A 110 -22.438 -13.456 -44.970 1.00 74.31 H new ATOM 1673 N TYR A 111 -21.501 -14.087 -47.720 1.00 14.34 N ATOM 1674 CA TYR A 111 -21.632 -14.811 -48.988 1.00 51.25 C ATOM 1675 C TYR A 111 -20.691 -16.023 -49.021 1.00 15.01 C ATOM 1676 O TYR A 111 -21.133 -17.134 -49.320 1.00 51.22 O ATOM 1677 CB TYR A 111 -21.384 -13.882 -50.195 1.00 51.01 C ATOM 1678 CG TYR A 111 -22.454 -12.815 -50.374 1.00 1.55 C ATOM 1679 CD1 TYR A 111 -23.653 -13.110 -51.015 1.00 14.33 C ATOM 1680 CD2 TYR A 111 -22.269 -11.521 -49.892 1.00 62.24 C ATOM 1681 CE1 TYR A 111 -24.635 -12.151 -51.170 1.00 51.32 C ATOM 1682 CE2 TYR A 111 -23.248 -10.556 -50.047 1.00 42.35 C ATOM 1683 CZ TYR A 111 -24.428 -10.877 -50.685 1.00 75.40 C ATOM 1684 OH TYR A 111 -25.410 -9.920 -50.837 1.00 34.13 O ATOM 0 H TYR A 111 -20.548 -14.049 -47.357 1.00 14.34 H new ATOM 0 HA TYR A 111 -22.657 -15.175 -49.061 1.00 51.25 H new ATOM 0 HB2 TYR A 111 -20.415 -13.397 -50.076 1.00 51.01 H new ATOM 0 HB3 TYR A 111 -21.329 -14.485 -51.101 1.00 51.01 H new ATOM 0 HD1 TYR A 111 -23.819 -14.106 -51.398 1.00 14.33 H new ATOM 0 HD2 TYR A 111 -21.347 -11.267 -49.390 1.00 62.24 H new ATOM 0 HE1 TYR A 111 -25.561 -12.398 -51.669 1.00 51.32 H new ATOM 0 HE2 TYR A 111 -23.089 -9.556 -49.670 1.00 42.35 H new ATOM 0 HH TYR A 111 -25.109 -9.076 -50.440 1.00 34.13 H new ATOM 1694 N PRO A 112 -19.377 -15.847 -48.733 1.00 71.14 N ATOM 1695 CA PRO A 112 -18.466 -16.983 -48.584 1.00 74.05 C ATOM 1696 C PRO A 112 -18.573 -17.585 -47.180 1.00 44.53 C ATOM 1697 O PRO A 112 -18.658 -16.850 -46.200 1.00 35.22 O ATOM 1698 CB PRO A 112 -17.090 -16.352 -48.819 1.00 3.14 C ATOM 1699 CG PRO A 112 -17.229 -14.952 -48.319 1.00 55.31 C ATOM 1700 CD PRO A 112 -18.672 -14.556 -48.549 1.00 34.32 C ATOM 0 HA PRO A 112 -18.679 -17.805 -49.268 1.00 74.05 H new ATOM 0 HB2 PRO A 112 -16.310 -16.890 -48.281 1.00 3.14 H new ATOM 0 HB3 PRO A 112 -16.820 -16.371 -49.875 1.00 3.14 H new ATOM 0 HG2 PRO A 112 -16.974 -14.890 -47.261 1.00 55.31 H new ATOM 0 HG3 PRO A 112 -16.553 -14.281 -48.850 1.00 55.31 H new ATOM 0 HD2 PRO A 112 -19.073 -14.000 -47.701 1.00 34.32 H new ATOM 0 HD3 PRO A 112 -18.775 -13.917 -49.426 1.00 34.32 H new ATOM 1708 N PRO A 113 -18.569 -18.924 -47.059 1.00 75.52 N ATOM 1709 CA PRO A 113 -18.746 -19.612 -45.765 1.00 14.13 C ATOM 1710 C PRO A 113 -17.724 -19.185 -44.705 1.00 51.33 C ATOM 1711 O PRO A 113 -17.950 -19.358 -43.505 1.00 50.55 O ATOM 1712 CB PRO A 113 -18.568 -21.093 -46.124 1.00 71.32 C ATOM 1713 CG PRO A 113 -18.907 -21.171 -47.573 1.00 43.15 C ATOM 1714 CD PRO A 113 -18.411 -19.884 -48.170 1.00 14.23 C ATOM 0 HA PRO A 113 -19.711 -19.376 -45.317 1.00 14.13 H new ATOM 0 HB2 PRO A 113 -17.547 -21.426 -45.937 1.00 71.32 H new ATOM 0 HB3 PRO A 113 -19.225 -21.727 -45.528 1.00 71.32 H new ATOM 0 HG2 PRO A 113 -18.430 -22.031 -48.042 1.00 43.15 H new ATOM 0 HG3 PRO A 113 -19.981 -21.283 -47.719 1.00 43.15 H new ATOM 0 HD2 PRO A 113 -17.373 -19.962 -48.492 1.00 14.23 H new ATOM 0 HD3 PRO A 113 -18.995 -19.592 -49.043 1.00 14.23 H new ATOM 1722 N VAL A 114 -16.596 -18.638 -45.160 1.00 63.42 N ATOM 1723 CA VAL A 114 -15.551 -18.147 -44.258 1.00 23.21 C ATOM 1724 C VAL A 114 -15.964 -16.818 -43.618 1.00 74.31 C ATOM 1725 O VAL A 114 -15.498 -16.463 -42.535 1.00 2.15 O ATOM 1726 CB VAL A 114 -14.194 -17.974 -44.998 1.00 34.22 C ATOM 1727 CG1 VAL A 114 -13.698 -19.317 -45.534 1.00 33.32 C ATOM 1728 CG2 VAL A 114 -14.310 -16.950 -46.129 1.00 53.14 C ATOM 0 H VAL A 114 -16.381 -18.523 -46.151 1.00 63.42 H new ATOM 0 HA VAL A 114 -15.423 -18.895 -43.475 1.00 23.21 H new ATOM 0 HB VAL A 114 -13.465 -17.599 -44.280 1.00 34.22 H new ATOM 0 HG11 VAL A 114 -12.748 -19.175 -46.048 1.00 33.32 H new ATOM 0 HG12 VAL A 114 -13.562 -20.012 -44.705 1.00 33.32 H new ATOM 0 HG13 VAL A 114 -14.431 -19.723 -46.231 1.00 33.32 H new ATOM 0 HG21 VAL A 114 -13.347 -16.849 -46.629 1.00 53.14 H new ATOM 0 HG22 VAL A 114 -15.058 -17.285 -46.847 1.00 53.14 H new ATOM 0 HG23 VAL A 114 -14.608 -15.986 -45.718 1.00 53.14 H new ATOM 1738 N ILE A 115 -16.851 -16.096 -44.303 1.00 51.04 N ATOM 1739 CA ILE A 115 -17.388 -14.826 -43.817 1.00 15.41 C ATOM 1740 C ILE A 115 -18.916 -14.917 -43.754 1.00 5.40 C ATOM 1741 O ILE A 115 -19.609 -14.609 -44.731 1.00 35.31 O ATOM 1742 CB ILE A 115 -16.966 -13.633 -44.726 1.00 64.33 C ATOM 1743 CG1 ILE A 115 -15.431 -13.512 -44.786 1.00 53.33 C ATOM 1744 CG2 ILE A 115 -17.589 -12.323 -44.237 1.00 50.30 C ATOM 1745 CD1 ILE A 115 -14.779 -13.249 -43.441 1.00 54.20 C ATOM 0 H ILE A 115 -17.218 -16.376 -45.212 1.00 51.04 H new ATOM 0 HA ILE A 115 -16.980 -14.642 -42.823 1.00 15.41 H new ATOM 0 HB ILE A 115 -17.337 -13.829 -45.732 1.00 64.33 H new ATOM 0 HG12 ILE A 115 -15.020 -14.431 -45.204 1.00 53.33 H new ATOM 0 HG13 ILE A 115 -15.167 -12.706 -45.470 1.00 53.33 H new ATOM 0 HG21 ILE A 115 -17.278 -11.507 -44.889 1.00 50.30 H new ATOM 0 HG22 ILE A 115 -18.676 -12.408 -44.255 1.00 50.30 H new ATOM 0 HG23 ILE A 115 -17.257 -12.120 -43.219 1.00 50.30 H new ATOM 0 HD11 ILE A 115 -13.699 -13.177 -43.568 1.00 54.20 H new ATOM 0 HD12 ILE A 115 -15.159 -12.314 -43.029 1.00 54.20 H new ATOM 0 HD13 ILE A 115 -15.010 -14.067 -42.758 1.00 54.20 H new ATOM 1757 N PRO A 116 -19.455 -15.391 -42.617 1.00 1.54 N ATOM 1758 CA PRO A 116 -20.899 -15.585 -42.439 1.00 4.42 C ATOM 1759 C PRO A 116 -21.644 -14.264 -42.194 1.00 1.54 C ATOM 1760 O PRO A 116 -21.020 -13.208 -42.074 1.00 44.24 O ATOM 1761 CB PRO A 116 -20.962 -16.494 -41.205 1.00 0.11 C ATOM 1762 CG PRO A 116 -19.767 -16.110 -40.403 1.00 2.34 C ATOM 1763 CD PRO A 116 -18.693 -15.773 -41.407 1.00 73.41 C ATOM 0 HA PRO A 116 -21.379 -16.004 -43.323 1.00 4.42 H new ATOM 0 HB2 PRO A 116 -21.884 -16.340 -40.644 1.00 0.11 H new ATOM 0 HB3 PRO A 116 -20.932 -17.547 -41.485 1.00 0.11 H new ATOM 0 HG2 PRO A 116 -19.984 -15.257 -39.761 1.00 2.34 H new ATOM 0 HG3 PRO A 116 -19.453 -16.927 -39.753 1.00 2.34 H new ATOM 0 HD2 PRO A 116 -18.060 -14.957 -41.058 1.00 73.41 H new ATOM 0 HD3 PRO A 116 -18.040 -16.625 -41.597 1.00 73.41 H new ATOM 1771 N PRO A 117 -22.995 -14.304 -42.148 1.00 32.11 N ATOM 1772 CA PRO A 117 -23.811 -13.123 -41.837 1.00 23.42 C ATOM 1773 C PRO A 117 -23.321 -12.372 -40.595 1.00 61.41 C ATOM 1774 O PRO A 117 -23.052 -12.979 -39.550 1.00 22.34 O ATOM 1775 CB PRO A 117 -25.206 -13.712 -41.595 1.00 44.33 C ATOM 1776 CG PRO A 117 -25.242 -14.936 -42.442 1.00 52.33 C ATOM 1777 CD PRO A 117 -23.837 -15.490 -42.429 1.00 32.41 C ATOM 0 HA PRO A 117 -23.775 -12.384 -42.638 1.00 23.42 H new ATOM 0 HB2 PRO A 117 -25.359 -13.952 -40.543 1.00 44.33 H new ATOM 0 HB3 PRO A 117 -25.989 -13.009 -41.879 1.00 44.33 H new ATOM 0 HG2 PRO A 117 -25.952 -15.663 -42.048 1.00 52.33 H new ATOM 0 HG3 PRO A 117 -25.559 -14.699 -43.458 1.00 52.33 H new ATOM 0 HD2 PRO A 117 -23.716 -16.257 -41.664 1.00 32.41 H new ATOM 0 HD3 PRO A 117 -23.578 -15.948 -43.384 1.00 32.41 H new ATOM 1785 N LYS A 118 -23.211 -11.054 -40.731 1.00 12.23 N ATOM 1786 CA LYS A 118 -22.804 -10.163 -39.645 1.00 22.13 C ATOM 1787 C LYS A 118 -21.383 -10.472 -39.162 1.00 41.51 C ATOM 1788 O LYS A 118 -21.083 -10.376 -37.969 1.00 20.11 O ATOM 1789 CB LYS A 118 -23.801 -10.222 -38.476 1.00 64.12 C ATOM 1790 CG LYS A 118 -25.229 -9.847 -38.872 1.00 0.22 C ATOM 1791 CD LYS A 118 -26.102 -9.537 -37.657 1.00 12.22 C ATOM 1792 CE LYS A 118 -26.140 -10.687 -36.656 1.00 54.44 C ATOM 1793 NZ LYS A 118 -27.014 -10.372 -35.497 1.00 73.32 N ATOM 0 H LYS A 118 -23.404 -10.568 -41.607 1.00 12.23 H new ATOM 0 HA LYS A 118 -22.805 -9.148 -40.043 1.00 22.13 H new ATOM 0 HB2 LYS A 118 -23.801 -11.229 -38.059 1.00 64.12 H new ATOM 0 HB3 LYS A 118 -23.463 -9.550 -37.687 1.00 64.12 H new ATOM 0 HG2 LYS A 118 -25.205 -8.979 -39.531 1.00 0.22 H new ATOM 0 HG3 LYS A 118 -25.674 -10.665 -39.438 1.00 0.22 H new ATOM 0 HD2 LYS A 118 -25.726 -8.641 -37.162 1.00 12.22 H new ATOM 0 HD3 LYS A 118 -27.116 -9.315 -37.989 1.00 12.22 H new ATOM 0 HE2 LYS A 118 -26.501 -11.589 -37.150 1.00 54.44 H new ATOM 0 HE3 LYS A 118 -25.130 -10.898 -36.305 1.00 54.44 H new ATOM 0 HZ1 LYS A 118 -27.017 -11.175 -34.836 1.00 73.32 H new ATOM 0 HZ2 LYS A 118 -26.655 -9.525 -35.011 1.00 73.32 H new ATOM 0 HZ3 LYS A 118 -27.983 -10.195 -35.831 1.00 73.32 H new ATOM 1807 N ALA A 119 -20.507 -10.814 -40.101 1.00 25.12 N ATOM 1808 CA ALA A 119 -19.103 -11.064 -39.789 1.00 55.24 C ATOM 1809 C ALA A 119 -18.266 -9.801 -40.005 1.00 12.24 C ATOM 1810 O ALA A 119 -18.148 -9.304 -41.128 1.00 74.12 O ATOM 1811 CB ALA A 119 -18.561 -12.208 -40.637 1.00 71.50 C ATOM 0 H ALA A 119 -20.745 -10.925 -41.087 1.00 25.12 H new ATOM 0 HA ALA A 119 -19.035 -11.347 -38.739 1.00 55.24 H new ATOM 0 HB1 ALA A 119 -17.513 -12.379 -40.390 1.00 71.50 H new ATOM 0 HB2 ALA A 119 -19.134 -13.113 -40.436 1.00 71.50 H new ATOM 0 HB3 ALA A 119 -18.648 -11.951 -41.693 1.00 71.50 H new ATOM 1817 N THR A 120 -17.714 -9.276 -38.916 1.00 51.12 N ATOM 1818 CA THR A 120 -16.806 -8.133 -38.968 1.00 71.23 C ATOM 1819 C THR A 120 -15.391 -8.606 -39.313 1.00 20.24 C ATOM 1820 O THR A 120 -14.922 -9.614 -38.773 1.00 3.02 O ATOM 1821 CB THR A 120 -16.811 -7.384 -37.611 1.00 65.31 C ATOM 1822 OG1 THR A 120 -18.112 -6.817 -37.376 1.00 65.31 O ATOM 1823 CG2 THR A 120 -15.757 -6.284 -37.566 1.00 44.33 C ATOM 0 H THR A 120 -17.882 -9.629 -37.974 1.00 51.12 H new ATOM 0 HA THR A 120 -17.144 -7.445 -39.743 1.00 71.23 H new ATOM 0 HB THR A 120 -16.571 -8.107 -36.831 1.00 65.31 H new ATOM 0 HG1 THR A 120 -18.113 -6.346 -36.517 1.00 65.31 H new ATOM 0 HG21 THR A 120 -15.794 -5.784 -36.598 1.00 44.33 H new ATOM 0 HG22 THR A 120 -14.769 -6.721 -37.711 1.00 44.33 H new ATOM 0 HG23 THR A 120 -15.953 -5.560 -38.356 1.00 44.33 H new ATOM 1831 N LEU A 121 -14.710 -7.878 -40.202 1.00 2.41 N ATOM 1832 CA LEU A 121 -13.415 -8.323 -40.733 1.00 73.03 C ATOM 1833 C LEU A 121 -12.421 -7.158 -40.711 1.00 70.13 C ATOM 1834 O LEU A 121 -12.807 -6.009 -40.916 1.00 70.31 O ATOM 1835 CB LEU A 121 -13.612 -8.876 -42.167 1.00 5.25 C ATOM 1836 CG LEU A 121 -12.526 -9.839 -42.705 1.00 44.23 C ATOM 1837 CD1 LEU A 121 -11.253 -9.097 -43.105 1.00 63.11 C ATOM 1838 CD2 LEU A 121 -12.217 -10.929 -41.678 1.00 11.54 C ATOM 0 H LEU A 121 -15.030 -6.982 -40.569 1.00 2.41 H new ATOM 0 HA LEU A 121 -13.008 -9.121 -40.112 1.00 73.03 H new ATOM 0 HB2 LEU A 121 -14.571 -9.394 -42.202 1.00 5.25 H new ATOM 0 HB3 LEU A 121 -13.682 -8.029 -42.850 1.00 5.25 H new ATOM 0 HG LEU A 121 -12.923 -10.309 -43.605 1.00 44.23 H new ATOM 0 HD11 LEU A 121 -10.518 -9.810 -43.477 1.00 63.11 H new ATOM 0 HD12 LEU A 121 -11.484 -8.373 -43.887 1.00 63.11 H new ATOM 0 HD13 LEU A 121 -10.847 -8.577 -42.237 1.00 63.11 H new ATOM 0 HD21 LEU A 121 -11.451 -11.596 -42.074 1.00 11.54 H new ATOM 0 HD22 LEU A 121 -11.857 -10.470 -40.757 1.00 11.54 H new ATOM 0 HD23 LEU A 121 -13.122 -11.499 -41.469 1.00 11.54 H new ATOM 1850 N VAL A 122 -11.143 -7.449 -40.457 1.00 31.41 N ATOM 1851 CA VAL A 122 -10.131 -6.402 -40.331 1.00 43.23 C ATOM 1852 C VAL A 122 -9.336 -6.272 -41.627 1.00 70.11 C ATOM 1853 O VAL A 122 -8.718 -7.232 -42.080 1.00 44.44 O ATOM 1854 CB VAL A 122 -9.162 -6.695 -39.158 1.00 61.11 C ATOM 1855 CG1 VAL A 122 -8.111 -5.598 -39.032 1.00 50.24 C ATOM 1856 CG2 VAL A 122 -9.934 -6.865 -37.848 1.00 74.23 C ATOM 0 H VAL A 122 -10.787 -8.397 -40.335 1.00 31.41 H new ATOM 0 HA VAL A 122 -10.650 -5.465 -40.127 1.00 43.23 H new ATOM 0 HB VAL A 122 -8.645 -7.631 -39.371 1.00 61.11 H new ATOM 0 HG11 VAL A 122 -7.443 -5.827 -38.201 1.00 50.24 H new ATOM 0 HG12 VAL A 122 -7.535 -5.539 -39.955 1.00 50.24 H new ATOM 0 HG13 VAL A 122 -8.603 -4.642 -38.849 1.00 50.24 H new ATOM 0 HG21 VAL A 122 -9.235 -7.070 -37.037 1.00 74.23 H new ATOM 0 HG22 VAL A 122 -10.485 -5.950 -37.629 1.00 74.23 H new ATOM 0 HG23 VAL A 122 -10.633 -7.696 -37.943 1.00 74.23 H new ATOM 1866 N PHE A 123 -9.361 -5.090 -42.226 1.00 33.02 N ATOM 1867 CA PHE A 123 -8.648 -4.850 -43.478 1.00 14.15 C ATOM 1868 C PHE A 123 -7.464 -3.910 -43.265 1.00 24.01 C ATOM 1869 O PHE A 123 -7.586 -2.865 -42.613 1.00 14.25 O ATOM 1870 CB PHE A 123 -9.593 -4.272 -44.545 1.00 30.11 C ATOM 1871 CG PHE A 123 -10.554 -5.279 -45.134 1.00 10.14 C ATOM 1872 CD1 PHE A 123 -11.778 -5.536 -44.533 1.00 51.11 C ATOM 1873 CD2 PHE A 123 -10.235 -5.959 -46.303 1.00 52.10 C ATOM 1874 CE1 PHE A 123 -12.662 -6.446 -45.085 1.00 23.22 C ATOM 1875 CE2 PHE A 123 -11.113 -6.873 -46.855 1.00 34.12 C ATOM 1876 CZ PHE A 123 -12.328 -7.116 -46.246 1.00 24.21 C ATOM 0 H PHE A 123 -9.867 -4.280 -41.867 1.00 33.02 H new ATOM 0 HA PHE A 123 -8.269 -5.810 -43.829 1.00 14.15 H new ATOM 0 HB2 PHE A 123 -10.165 -3.456 -44.104 1.00 30.11 H new ATOM 0 HB3 PHE A 123 -8.995 -3.844 -45.350 1.00 30.11 H new ATOM 0 HD1 PHE A 123 -12.044 -5.019 -43.623 1.00 51.11 H new ATOM 0 HD2 PHE A 123 -9.288 -5.771 -46.787 1.00 52.10 H new ATOM 0 HE1 PHE A 123 -13.613 -6.633 -44.608 1.00 23.22 H new ATOM 0 HE2 PHE A 123 -10.849 -7.397 -47.762 1.00 34.12 H new ATOM 0 HZ PHE A 123 -13.016 -7.829 -46.676 1.00 24.21 H new ATOM 1886 N GLU A 124 -6.315 -4.304 -43.798 1.00 64.31 N ATOM 1887 CA GLU A 124 -5.142 -3.446 -43.825 1.00 51.31 C ATOM 1888 C GLU A 124 -5.156 -2.633 -45.114 1.00 24.30 C ATOM 1889 O GLU A 124 -5.121 -3.191 -46.217 1.00 64.22 O ATOM 1890 CB GLU A 124 -3.855 -4.275 -43.707 1.00 15.04 C ATOM 1891 CG GLU A 124 -3.653 -4.888 -42.323 1.00 23.21 C ATOM 1892 CD GLU A 124 -2.423 -5.778 -42.243 1.00 12.02 C ATOM 1893 OE1 GLU A 124 -1.295 -5.267 -42.404 1.00 32.21 O ATOM 1894 OE2 GLU A 124 -2.580 -7.000 -42.031 1.00 21.31 O ATOM 0 H GLU A 124 -6.172 -5.221 -44.221 1.00 64.31 H new ATOM 0 HA GLU A 124 -5.167 -2.768 -42.972 1.00 51.31 H new ATOM 0 HB2 GLU A 124 -3.876 -5.072 -44.450 1.00 15.04 H new ATOM 0 HB3 GLU A 124 -3.000 -3.641 -43.944 1.00 15.04 H new ATOM 0 HG2 GLU A 124 -3.565 -4.089 -41.587 1.00 23.21 H new ATOM 0 HG3 GLU A 124 -4.535 -5.471 -42.057 1.00 23.21 H new ATOM 1901 N VAL A 125 -5.246 -1.317 -44.963 1.00 22.33 N ATOM 1902 CA VAL A 125 -5.360 -0.406 -46.096 1.00 0.42 C ATOM 1903 C VAL A 125 -4.074 0.399 -46.274 1.00 41.00 C ATOM 1904 O VAL A 125 -3.368 0.679 -45.300 1.00 20.15 O ATOM 1905 CB VAL A 125 -6.567 0.556 -45.921 1.00 20.05 C ATOM 1906 CG1 VAL A 125 -7.886 -0.210 -46.005 1.00 34.15 C ATOM 1907 CG2 VAL A 125 -6.480 1.305 -44.593 1.00 11.44 C ATOM 0 H VAL A 125 -5.242 -0.852 -44.055 1.00 22.33 H new ATOM 0 HA VAL A 125 -5.525 -1.009 -46.989 1.00 0.42 H new ATOM 0 HB VAL A 125 -6.533 1.284 -46.732 1.00 20.05 H new ATOM 0 HG11 VAL A 125 -8.718 0.483 -45.880 1.00 34.15 H new ATOM 0 HG12 VAL A 125 -7.963 -0.697 -46.977 1.00 34.15 H new ATOM 0 HG13 VAL A 125 -7.920 -0.963 -45.218 1.00 34.15 H new ATOM 0 HG21 VAL A 125 -7.337 1.972 -44.495 1.00 11.44 H new ATOM 0 HG22 VAL A 125 -6.481 0.589 -43.771 1.00 11.44 H new ATOM 0 HG23 VAL A 125 -5.560 1.889 -44.564 1.00 11.44 H new ATOM 1917 N GLU A 126 -3.783 0.759 -47.522 1.00 43.13 N ATOM 1918 CA GLU A 126 -2.571 1.501 -47.873 1.00 63.02 C ATOM 1919 C GLU A 126 -2.860 2.474 -49.023 1.00 75.21 C ATOM 1920 O GLU A 126 -3.494 2.101 -50.012 1.00 73.13 O ATOM 1921 CB GLU A 126 -1.456 0.513 -48.261 1.00 51.44 C ATOM 1922 CG GLU A 126 -0.155 1.170 -48.712 1.00 43.20 C ATOM 1923 CD GLU A 126 0.945 0.152 -48.985 1.00 3.30 C ATOM 1924 OE1 GLU A 126 0.799 -0.656 -49.930 1.00 32.43 O ATOM 1925 OE2 GLU A 126 1.959 0.142 -48.251 1.00 33.31 O ATOM 0 H GLU A 126 -4.381 0.545 -48.320 1.00 43.13 H new ATOM 0 HA GLU A 126 -2.241 2.082 -47.012 1.00 63.02 H new ATOM 0 HB2 GLU A 126 -1.246 -0.131 -47.407 1.00 51.44 H new ATOM 0 HB3 GLU A 126 -1.820 -0.129 -49.063 1.00 51.44 H new ATOM 0 HG2 GLU A 126 -0.339 1.753 -49.615 1.00 43.20 H new ATOM 0 HG3 GLU A 126 0.181 1.868 -47.945 1.00 43.20 H new ATOM 1932 N LEU A 127 -2.402 3.717 -48.881 1.00 44.31 N ATOM 1933 CA LEU A 127 -2.637 4.766 -49.877 1.00 71.21 C ATOM 1934 C LEU A 127 -1.378 4.983 -50.724 1.00 21.13 C ATOM 1935 O LEU A 127 -0.334 5.401 -50.213 1.00 72.31 O ATOM 1936 CB LEU A 127 -3.049 6.069 -49.155 1.00 2.35 C ATOM 1937 CG LEU A 127 -3.732 7.163 -50.009 1.00 62.44 C ATOM 1938 CD1 LEU A 127 -2.773 7.771 -51.027 1.00 31.13 C ATOM 1939 CD2 LEU A 127 -4.976 6.611 -50.703 1.00 41.12 C ATOM 0 H LEU A 127 -1.859 4.027 -48.075 1.00 44.31 H new ATOM 0 HA LEU A 127 -3.442 4.463 -50.546 1.00 71.21 H new ATOM 0 HB2 LEU A 127 -3.724 5.805 -48.341 1.00 2.35 H new ATOM 0 HB3 LEU A 127 -2.157 6.501 -48.702 1.00 2.35 H new ATOM 0 HG LEU A 127 -4.037 7.960 -49.331 1.00 62.44 H new ATOM 0 HD11 LEU A 127 -3.293 8.535 -51.606 1.00 31.13 H new ATOM 0 HD12 LEU A 127 -1.928 8.222 -50.507 1.00 31.13 H new ATOM 0 HD13 LEU A 127 -2.412 6.991 -51.697 1.00 31.13 H new ATOM 0 HD21 LEU A 127 -5.440 7.398 -51.298 1.00 41.12 H new ATOM 0 HD22 LEU A 127 -4.693 5.783 -51.353 1.00 41.12 H new ATOM 0 HD23 LEU A 127 -5.684 6.257 -49.954 1.00 41.12 H new ATOM 1951 N LEU A 128 -1.484 4.699 -52.022 1.00 14.43 N ATOM 1952 CA LEU A 128 -0.356 4.840 -52.947 1.00 30.41 C ATOM 1953 C LEU A 128 -0.407 6.180 -53.686 1.00 2.23 C ATOM 1954 O LEU A 128 0.632 6.790 -53.940 1.00 15.42 O ATOM 1955 CB LEU A 128 -0.327 3.688 -53.968 1.00 73.21 C ATOM 1956 CG LEU A 128 0.036 2.300 -53.411 1.00 25.15 C ATOM 1957 CD1 LEU A 128 1.383 2.338 -52.695 1.00 61.42 C ATOM 1958 CD2 LEU A 128 -1.060 1.776 -52.488 1.00 51.52 C ATOM 0 H LEU A 128 -2.344 4.368 -52.460 1.00 14.43 H new ATOM 0 HA LEU A 128 0.555 4.804 -52.349 1.00 30.41 H new ATOM 0 HB2 LEU A 128 -1.307 3.623 -54.440 1.00 73.21 H new ATOM 0 HB3 LEU A 128 0.388 3.941 -54.751 1.00 73.21 H new ATOM 0 HG LEU A 128 0.120 1.611 -54.252 1.00 25.15 H new ATOM 0 HD11 LEU A 128 1.618 1.346 -52.310 1.00 61.42 H new ATOM 0 HD12 LEU A 128 2.159 2.649 -53.395 1.00 61.42 H new ATOM 0 HD13 LEU A 128 1.336 3.046 -51.868 1.00 61.42 H new ATOM 0 HD21 LEU A 128 -0.778 0.794 -52.109 1.00 51.52 H new ATOM 0 HD22 LEU A 128 -1.192 2.464 -51.653 1.00 51.52 H new ATOM 0 HD23 LEU A 128 -1.995 1.696 -53.042 1.00 51.52 H new ATOM 1970 N ALA A 129 -1.613 6.625 -54.044 1.00 4.43 N ATOM 1971 CA ALA A 129 -1.787 7.898 -54.752 1.00 1.24 C ATOM 1972 C ALA A 129 -3.171 8.486 -54.489 1.00 55.22 C ATOM 1973 O ALA A 129 -4.155 7.750 -54.414 1.00 1.51 O ATOM 1974 CB ALA A 129 -1.565 7.709 -56.251 1.00 14.11 C ATOM 0 H ALA A 129 -2.482 6.125 -53.857 1.00 4.43 H new ATOM 0 HA ALA A 129 -1.043 8.600 -54.374 1.00 1.24 H new ATOM 0 HB1 ALA A 129 -1.698 8.663 -56.762 1.00 14.11 H new ATOM 0 HB2 ALA A 129 -0.554 7.342 -56.426 1.00 14.11 H new ATOM 0 HB3 ALA A 129 -2.285 6.987 -56.637 1.00 14.11 H new ATOM 1980 N VAL A 130 -3.239 9.812 -54.357 1.00 71.35 N ATOM 1981 CA VAL A 130 -4.499 10.503 -54.097 1.00 3.33 C ATOM 1982 C VAL A 130 -4.571 11.824 -54.889 1.00 10.44 C ATOM 1983 O VAL A 130 -4.098 12.873 -54.398 1.00 70.32 O ATOM 1984 CB VAL A 130 -4.714 10.735 -52.566 1.00 20.24 C ATOM 1985 CG1 VAL A 130 -3.496 11.394 -51.912 1.00 51.34 C ATOM 1986 CG2 VAL A 130 -5.984 11.545 -52.306 1.00 32.12 C ATOM 1987 OXT VAL A 130 -5.087 11.800 -56.028 1.00 0.00 O ATOM 0 H VAL A 130 -2.430 10.430 -54.427 1.00 71.35 H new ATOM 0 HA VAL A 130 -5.313 9.865 -54.442 1.00 3.33 H new ATOM 0 HB VAL A 130 -4.837 9.755 -52.105 1.00 20.24 H new ATOM 0 HG11 VAL A 130 -3.687 11.537 -50.848 1.00 51.34 H new ATOM 0 HG12 VAL A 130 -2.623 10.754 -52.041 1.00 51.34 H new ATOM 0 HG13 VAL A 130 -3.310 12.360 -52.381 1.00 51.34 H new ATOM 0 HG21 VAL A 130 -6.109 11.691 -51.233 1.00 32.12 H new ATOM 0 HG22 VAL A 130 -5.904 12.515 -52.798 1.00 32.12 H new ATOM 0 HG23 VAL A 130 -6.846 11.007 -52.702 1.00 32.12 H new