USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=26 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 102 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 103 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Set 2.1: A 47 THR OG1 : rot 170:sc= -0.317 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.0157 K(o=-0.3,f=-0.92) USER MOD Set 3.1: A 62 SER OG : rot -170:sc= 0.797 USER MOD Set 3.2: A 65 SER OG : rot 124:sc= 0.902 USER MOD Set 4.1: A 28 LYS NZ :NH3+ -154:sc= 0.183! (180deg=0) USER MOD Set 4.2: A 89 THR OG1 : rot -39:sc= -0.0544! USER MOD Single : A 25 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.14) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc=-0.00421 (180deg=-0.133) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00582 USER MOD Single : A 38 THR OG1 : rot -139:sc= -2.61! USER MOD Single : A 39 LYS NZ :NH3+ 172:sc=-0.00165 (180deg=-0.0714) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= 1.21 (180deg=0.711) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -0.0283 (180deg=-0.255) USER MOD Single : A 49 HIS : no HE2:sc= -0.276 K(o=-0.28,f=-4.7!) USER MOD Single : A 50 TYR OH : rot 175:sc= -0.0162 USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0.28 (180deg=0.268) USER MOD Single : A 59 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.79) USER MOD Single : A 63 SER OG : rot 19:sc= 0.0242 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 1.18 (180deg=1.08) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 81 LYS NZ :NH3+ -132:sc= 1.18 (180deg=-0.354) USER MOD Single : A 85 GLN : amide:sc= -0.0752 X(o=-0.075,f=-0.56) USER MOD Single : A 90 MET CE :methyl -102:sc= -3.38! (180deg=-6.38!) USER MOD Single : A 91 THR OG1 : rot -60:sc= 0.823 USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= 1.09 (180deg=0.974) USER MOD Single : A 99 THR OG1 : rot 81:sc= 0 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 USER MOD ----------------------------------------------------------------- ATOM 345 N GLN A 25 -18.217 -1.277 -33.746 1.00 52.11 N ATOM 346 CA GLN A 25 -16.817 -1.182 -33.343 1.00 33.31 C ATOM 347 C GLN A 25 -15.967 -0.682 -34.504 1.00 11.54 C ATOM 348 O GLN A 25 -16.189 -1.066 -35.655 1.00 33.33 O ATOM 349 CB GLN A 25 -16.302 -2.544 -32.853 1.00 24.32 C ATOM 350 CG GLN A 25 -16.903 -2.982 -31.522 1.00 62.34 C ATOM 351 CD GLN A 25 -16.574 -2.027 -30.379 1.00 50.24 C ATOM 352 OE1 GLN A 25 -17.365 -1.856 -29.450 1.00 54.31 O ATOM 353 NE2 GLN A 25 -15.402 -1.410 -30.427 1.00 0.52 N ATOM 0 HA GLN A 25 -16.742 -0.470 -32.521 1.00 33.31 H new ATOM 0 HB2 GLN A 25 -16.523 -3.299 -33.608 1.00 24.32 H new ATOM 0 HB3 GLN A 25 -15.217 -2.499 -32.755 1.00 24.32 H new ATOM 0 HG2 GLN A 25 -17.985 -3.058 -31.625 1.00 62.34 H new ATOM 0 HG3 GLN A 25 -16.536 -3.978 -31.274 1.00 62.34 H new ATOM 0 HE21 GLN A 25 -14.771 -1.575 -31.211 1.00 0.52 H new ATOM 0 HE22 GLN A 25 -15.131 -0.771 -29.680 1.00 0.52 H new ATOM 362 N LEU A 26 -15.016 0.188 -34.200 1.00 30.13 N ATOM 363 CA LEU A 26 -14.138 0.752 -35.210 1.00 12.14 C ATOM 364 C LEU A 26 -12.747 0.985 -34.630 1.00 51.43 C ATOM 365 O LEU A 26 -12.522 1.957 -33.904 1.00 61.15 O ATOM 366 CB LEU A 26 -14.720 2.067 -35.747 1.00 71.53 C ATOM 367 CG LEU A 26 -13.941 2.700 -36.910 1.00 4.02 C ATOM 368 CD1 LEU A 26 -13.934 1.773 -38.120 1.00 1.33 C ATOM 369 CD2 LEU A 26 -14.526 4.063 -37.271 1.00 14.44 C ATOM 0 H LEU A 26 -14.833 0.520 -33.253 1.00 30.13 H new ATOM 0 HA LEU A 26 -14.057 0.045 -36.036 1.00 12.14 H new ATOM 0 HB2 LEU A 26 -15.744 1.886 -36.073 1.00 71.53 H new ATOM 0 HB3 LEU A 26 -14.768 2.786 -34.929 1.00 71.53 H new ATOM 0 HG LEU A 26 -12.909 2.848 -36.592 1.00 4.02 H new ATOM 0 HD11 LEU A 26 -13.377 2.240 -38.933 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -13.461 0.828 -37.852 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -14.959 1.587 -38.442 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -13.960 4.495 -38.097 1.00 14.44 H new ATOM 0 HD22 LEU A 26 -15.568 3.945 -37.568 1.00 14.44 H new ATOM 0 HD23 LEU A 26 -14.468 4.724 -36.407 1.00 14.44 H new ATOM 381 N GLU A 27 -11.822 0.088 -34.945 1.00 2.20 N ATOM 382 CA GLU A 27 -10.440 0.215 -34.503 1.00 14.02 C ATOM 383 C GLU A 27 -9.523 0.368 -35.716 1.00 65.33 C ATOM 384 O GLU A 27 -9.527 -0.476 -36.614 1.00 60.33 O ATOM 385 CB GLU A 27 -10.001 -1.007 -33.671 1.00 53.11 C ATOM 386 CG GLU A 27 -10.771 -1.208 -32.360 1.00 1.14 C ATOM 387 CD GLU A 27 -12.204 -1.689 -32.567 1.00 4.22 C ATOM 388 OE1 GLU A 27 -12.385 -2.774 -33.153 1.00 43.34 O ATOM 389 OE2 GLU A 27 -13.146 -0.992 -32.126 1.00 35.30 O ATOM 0 H GLU A 27 -12.006 -0.741 -35.509 1.00 2.20 H new ATOM 0 HA GLU A 27 -10.367 1.100 -33.870 1.00 14.02 H new ATOM 0 HB2 GLU A 27 -10.113 -1.903 -34.282 1.00 53.11 H new ATOM 0 HB3 GLU A 27 -8.940 -0.909 -33.441 1.00 53.11 H new ATOM 0 HG2 GLU A 27 -10.239 -1.931 -31.742 1.00 1.14 H new ATOM 0 HG3 GLU A 27 -10.787 -0.268 -31.809 1.00 1.14 H new ATOM 396 N LYS A 28 -8.755 1.453 -35.757 1.00 20.23 N ATOM 397 CA LYS A 28 -7.795 1.672 -36.834 1.00 1.42 C ATOM 398 C LYS A 28 -6.407 1.937 -36.255 1.00 24.22 C ATOM 399 O LYS A 28 -6.203 2.890 -35.500 1.00 43.22 O ATOM 400 CB LYS A 28 -8.244 2.822 -37.757 1.00 13.42 C ATOM 401 CG LYS A 28 -8.440 4.174 -37.068 1.00 53.12 C ATOM 402 CD LYS A 28 -8.866 5.255 -38.066 1.00 50.34 C ATOM 403 CE LYS A 28 -9.027 6.621 -37.405 1.00 71.00 C ATOM 404 NZ LYS A 28 -9.436 7.662 -38.386 1.00 31.34 N ATOM 0 H LYS A 28 -8.779 2.194 -35.057 1.00 20.23 H new ATOM 0 HA LYS A 28 -7.748 0.769 -37.442 1.00 1.42 H new ATOM 0 HB2 LYS A 28 -7.505 2.940 -38.549 1.00 13.42 H new ATOM 0 HB3 LYS A 28 -9.181 2.537 -38.236 1.00 13.42 H new ATOM 0 HG2 LYS A 28 -9.195 4.080 -36.287 1.00 53.12 H new ATOM 0 HG3 LYS A 28 -7.512 4.473 -36.580 1.00 53.12 H new ATOM 0 HD2 LYS A 28 -8.125 5.324 -38.862 1.00 50.34 H new ATOM 0 HD3 LYS A 28 -9.808 4.966 -38.532 1.00 50.34 H new ATOM 0 HE2 LYS A 28 -9.772 6.556 -36.612 1.00 71.00 H new ATOM 0 HE3 LYS A 28 -8.087 6.912 -36.937 1.00 71.00 H new ATOM 0 HZ1 LYS A 28 -9.122 8.596 -38.053 1.00 31.34 H new ATOM 0 HZ2 LYS A 28 -9.001 7.459 -39.309 1.00 31.34 H new ATOM 0 HZ3 LYS A 28 -10.471 7.660 -38.483 1.00 31.34 H new ATOM 418 N LYS A 29 -5.465 1.071 -36.603 1.00 10.31 N ATOM 419 CA LYS A 29 -4.094 1.164 -36.110 1.00 4.51 C ATOM 420 C LYS A 29 -3.157 1.599 -37.235 1.00 32.22 C ATOM 421 O LYS A 29 -2.929 0.847 -38.181 1.00 50.14 O ATOM 422 CB LYS A 29 -3.653 -0.203 -35.548 1.00 34.44 C ATOM 423 CG LYS A 29 -2.158 -0.314 -35.243 1.00 63.44 C ATOM 424 CD LYS A 29 -1.724 0.607 -34.106 1.00 73.32 C ATOM 425 CE LYS A 29 -0.215 0.550 -33.883 1.00 34.34 C ATOM 426 NZ LYS A 29 0.257 -0.826 -33.560 1.00 5.41 N ATOM 0 H LYS A 29 -5.627 0.286 -37.233 1.00 10.31 H new ATOM 0 HA LYS A 29 -4.050 1.909 -35.315 1.00 4.51 H new ATOM 0 HB2 LYS A 29 -4.213 -0.403 -34.634 1.00 34.44 H new ATOM 0 HB3 LYS A 29 -3.923 -0.980 -36.264 1.00 34.44 H new ATOM 0 HG2 LYS A 29 -1.919 -1.345 -34.982 1.00 63.44 H new ATOM 0 HG3 LYS A 29 -1.588 -0.072 -36.140 1.00 63.44 H new ATOM 0 HD2 LYS A 29 -2.021 1.631 -34.333 1.00 73.32 H new ATOM 0 HD3 LYS A 29 -2.239 0.322 -33.189 1.00 73.32 H new ATOM 0 HE2 LYS A 29 0.296 0.906 -34.777 1.00 34.34 H new ATOM 0 HE3 LYS A 29 0.056 1.225 -33.071 1.00 34.34 H new ATOM 0 HZ1 LYS A 29 1.250 -0.789 -33.252 1.00 5.41 H new ATOM 0 HZ2 LYS A 29 -0.328 -1.223 -32.797 1.00 5.41 H new ATOM 0 HZ3 LYS A 29 0.179 -1.427 -34.405 1.00 5.41 H new ATOM 440 N VAL A 30 -2.633 2.819 -37.142 1.00 1.11 N ATOM 441 CA VAL A 30 -1.654 3.301 -38.110 1.00 62.04 C ATOM 442 C VAL A 30 -0.406 2.414 -38.069 1.00 61.23 C ATOM 443 O VAL A 30 0.331 2.396 -37.081 1.00 52.32 O ATOM 444 CB VAL A 30 -1.280 4.790 -37.862 1.00 12.12 C ATOM 445 CG1 VAL A 30 -0.783 5.017 -36.429 1.00 33.10 C ATOM 446 CG2 VAL A 30 -0.240 5.264 -38.886 1.00 70.43 C ATOM 0 H VAL A 30 -2.869 3.488 -36.409 1.00 1.11 H new ATOM 0 HA VAL A 30 -2.102 3.245 -39.102 1.00 62.04 H new ATOM 0 HB VAL A 30 -2.184 5.385 -37.990 1.00 12.12 H new ATOM 0 HG11 VAL A 30 -0.531 6.069 -36.294 1.00 33.10 H new ATOM 0 HG12 VAL A 30 -1.566 4.737 -35.724 1.00 33.10 H new ATOM 0 HG13 VAL A 30 0.102 4.406 -36.250 1.00 33.10 H new ATOM 0 HG21 VAL A 30 0.008 6.308 -38.696 1.00 70.43 H new ATOM 0 HG22 VAL A 30 0.660 4.655 -38.799 1.00 70.43 H new ATOM 0 HG23 VAL A 30 -0.649 5.166 -39.892 1.00 70.43 H new ATOM 456 N LEU A 31 -0.200 1.647 -39.136 1.00 3.31 N ATOM 457 CA LEU A 31 0.898 0.687 -39.196 1.00 51.44 C ATOM 458 C LEU A 31 2.094 1.304 -39.913 1.00 63.53 C ATOM 459 O LEU A 31 3.240 0.911 -39.693 1.00 71.22 O ATOM 460 CB LEU A 31 0.435 -0.595 -39.908 1.00 73.13 C ATOM 461 CG LEU A 31 1.444 -1.758 -39.914 1.00 33.10 C ATOM 462 CD1 LEU A 31 1.847 -2.130 -38.489 1.00 41.32 C ATOM 463 CD2 LEU A 31 0.865 -2.970 -40.641 1.00 61.33 C ATOM 0 H LEU A 31 -0.781 1.672 -39.974 1.00 3.31 H new ATOM 0 HA LEU A 31 1.204 0.427 -38.182 1.00 51.44 H new ATOM 0 HB2 LEU A 31 -0.485 -0.939 -39.435 1.00 73.13 H new ATOM 0 HB3 LEU A 31 0.189 -0.346 -40.940 1.00 73.13 H new ATOM 0 HG LEU A 31 2.336 -1.432 -40.448 1.00 33.10 H new ATOM 0 HD11 LEU A 31 2.560 -2.954 -38.516 1.00 41.32 H new ATOM 0 HD12 LEU A 31 2.306 -1.268 -38.004 1.00 41.32 H new ATOM 0 HD13 LEU A 31 0.963 -2.434 -37.928 1.00 41.32 H new ATOM 0 HD21 LEU A 31 1.594 -3.781 -40.634 1.00 61.33 H new ATOM 0 HD22 LEU A 31 -0.045 -3.296 -40.137 1.00 61.33 H new ATOM 0 HD23 LEU A 31 0.633 -2.700 -41.671 1.00 61.33 H new ATOM 475 N THR A 32 1.817 2.281 -40.766 1.00 73.42 N ATOM 476 CA THR A 32 2.856 3.005 -41.485 1.00 63.14 C ATOM 477 C THR A 32 2.401 4.441 -41.741 1.00 74.03 C ATOM 478 O THR A 32 1.474 4.662 -42.515 1.00 24.43 O ATOM 479 CB THR A 32 3.188 2.313 -42.832 1.00 71.24 C ATOM 480 OG1 THR A 32 3.553 0.943 -42.601 1.00 42.12 O ATOM 481 CG2 THR A 32 4.325 3.026 -43.563 1.00 61.24 C ATOM 0 H THR A 32 0.869 2.593 -40.978 1.00 73.42 H new ATOM 0 HA THR A 32 3.757 3.009 -40.872 1.00 63.14 H new ATOM 0 HB THR A 32 2.297 2.359 -43.458 1.00 71.24 H new ATOM 0 HG1 THR A 32 3.760 0.511 -43.456 1.00 42.12 H new ATOM 0 HG21 THR A 32 4.531 2.514 -44.503 1.00 61.24 H new ATOM 0 HG22 THR A 32 4.036 4.057 -43.767 1.00 61.24 H new ATOM 0 HG23 THR A 32 5.220 3.016 -42.941 1.00 61.24 H new ATOM 489 N PRO A 33 3.027 5.431 -41.076 1.00 53.10 N ATOM 490 CA PRO A 33 2.648 6.840 -41.228 1.00 31.44 C ATOM 491 C PRO A 33 3.073 7.405 -42.582 1.00 3.51 C ATOM 492 O PRO A 33 4.206 7.197 -43.027 1.00 22.31 O ATOM 493 CB PRO A 33 3.392 7.533 -40.079 1.00 1.05 C ATOM 494 CG PRO A 33 4.581 6.667 -39.818 1.00 71.12 C ATOM 495 CD PRO A 33 4.146 5.256 -40.124 1.00 42.35 C ATOM 0 HA PRO A 33 1.569 6.987 -41.192 1.00 31.44 H new ATOM 0 HB2 PRO A 33 3.692 8.544 -40.355 1.00 1.05 H new ATOM 0 HB3 PRO A 33 2.762 7.617 -39.194 1.00 1.05 H new ATOM 0 HG2 PRO A 33 5.422 6.960 -40.446 1.00 71.12 H new ATOM 0 HG3 PRO A 33 4.909 6.758 -38.783 1.00 71.12 H new ATOM 0 HD2 PRO A 33 4.957 4.673 -40.562 1.00 42.35 H new ATOM 0 HD3 PRO A 33 3.827 4.731 -39.223 1.00 42.35 H new ATOM 503 N GLY A 34 2.157 8.114 -43.232 1.00 1.22 N ATOM 504 CA GLY A 34 2.438 8.702 -44.530 1.00 71.12 C ATOM 505 C GLY A 34 2.885 10.143 -44.410 1.00 51.22 C ATOM 506 O GLY A 34 3.463 10.532 -43.389 1.00 33.52 O ATOM 0 H GLY A 34 1.217 8.293 -42.880 1.00 1.22 H new ATOM 0 HA2 GLY A 34 3.213 8.122 -45.032 1.00 71.12 H new ATOM 0 HA3 GLY A 34 1.546 8.649 -45.154 1.00 71.12 H new ATOM 510 N ASP A 35 2.625 10.943 -45.442 1.00 1.32 N ATOM 511 CA ASP A 35 3.016 12.357 -45.428 1.00 65.45 C ATOM 512 C ASP A 35 2.284 13.123 -44.333 1.00 14.34 C ATOM 513 O ASP A 35 2.840 14.038 -43.727 1.00 32.43 O ATOM 514 CB ASP A 35 2.745 13.033 -46.776 1.00 64.24 C ATOM 515 CG ASP A 35 3.622 12.501 -47.893 1.00 72.41 C ATOM 516 OD1 ASP A 35 4.850 12.705 -47.841 1.00 4.21 O ATOM 517 OD2 ASP A 35 3.086 11.880 -48.830 1.00 51.11 O ATOM 0 H ASP A 35 2.150 10.643 -46.293 1.00 1.32 H new ATOM 0 HA ASP A 35 4.088 12.380 -45.230 1.00 65.45 H new ATOM 0 HB2 ASP A 35 1.698 12.890 -47.044 1.00 64.24 H new ATOM 0 HB3 ASP A 35 2.905 14.107 -46.676 1.00 64.24 H new ATOM 522 N GLY A 36 1.026 12.762 -44.098 1.00 33.03 N ATOM 523 CA GLY A 36 0.211 13.462 -43.117 1.00 42.44 C ATOM 524 C GLY A 36 -0.391 14.745 -43.670 1.00 51.13 C ATOM 525 O GLY A 36 -1.475 15.155 -43.258 1.00 23.41 O ATOM 0 H GLY A 36 0.553 11.993 -44.572 1.00 33.03 H new ATOM 0 HA2 GLY A 36 -0.590 12.805 -42.779 1.00 42.44 H new ATOM 0 HA3 GLY A 36 0.820 13.697 -42.244 1.00 42.44 H new ATOM 529 N VAL A 37 0.307 15.377 -44.613 1.00 62.44 N ATOM 530 CA VAL A 37 -0.160 16.621 -45.224 1.00 70.24 C ATOM 531 C VAL A 37 -0.982 16.351 -46.489 1.00 51.32 C ATOM 532 O VAL A 37 -1.826 17.162 -46.879 1.00 73.24 O ATOM 533 CB VAL A 37 1.026 17.562 -45.572 1.00 11.24 C ATOM 534 CG1 VAL A 37 1.769 17.988 -44.304 1.00 11.54 C ATOM 535 CG2 VAL A 37 1.981 16.889 -46.558 1.00 52.31 C ATOM 0 H VAL A 37 1.202 15.046 -44.972 1.00 62.44 H new ATOM 0 HA VAL A 37 -0.797 17.112 -44.488 1.00 70.24 H new ATOM 0 HB VAL A 37 0.622 18.456 -46.047 1.00 11.24 H new ATOM 0 HG11 VAL A 37 2.596 18.647 -44.571 1.00 11.54 H new ATOM 0 HG12 VAL A 37 1.084 18.516 -43.641 1.00 11.54 H new ATOM 0 HG13 VAL A 37 2.158 17.105 -43.796 1.00 11.54 H new ATOM 0 HG21 VAL A 37 2.804 17.566 -46.787 1.00 52.31 H new ATOM 0 HG22 VAL A 37 2.376 15.975 -46.115 1.00 52.31 H new ATOM 0 HG23 VAL A 37 1.445 16.646 -47.475 1.00 52.31 H new ATOM 545 N THR A 38 -0.736 15.208 -47.122 1.00 10.01 N ATOM 546 CA THR A 38 -1.433 14.838 -48.350 1.00 12.05 C ATOM 547 C THR A 38 -2.820 14.269 -48.035 1.00 25.34 C ATOM 548 O THR A 38 -2.963 13.087 -47.716 1.00 54.22 O ATOM 549 CB THR A 38 -0.595 13.816 -49.155 1.00 44.23 C ATOM 550 OG1 THR A 38 -0.056 12.825 -48.266 1.00 15.11 O ATOM 551 CG2 THR A 38 0.547 14.505 -49.899 1.00 33.03 C ATOM 0 H THR A 38 -0.055 14.518 -46.803 1.00 10.01 H new ATOM 0 HA THR A 38 -1.564 15.734 -48.956 1.00 12.05 H new ATOM 0 HB THR A 38 -1.248 13.342 -49.888 1.00 44.23 H new ATOM 0 HG1 THR A 38 0.868 12.622 -48.524 1.00 15.11 H new ATOM 0 HG21 THR A 38 1.119 13.763 -50.456 1.00 33.03 H new ATOM 0 HG22 THR A 38 0.138 15.242 -50.591 1.00 33.03 H new ATOM 0 HG23 THR A 38 1.200 15.003 -49.182 1.00 33.03 H new ATOM 559 N LYS A 39 -3.832 15.126 -48.113 1.00 43.31 N ATOM 560 CA LYS A 39 -5.191 14.770 -47.707 1.00 13.11 C ATOM 561 C LYS A 39 -6.054 14.367 -48.910 1.00 41.21 C ATOM 562 O LYS A 39 -6.181 15.123 -49.877 1.00 63.14 O ATOM 563 CB LYS A 39 -5.841 15.946 -46.955 1.00 22.03 C ATOM 564 CG LYS A 39 -5.820 17.265 -47.730 1.00 14.54 C ATOM 565 CD LYS A 39 -6.476 18.401 -46.949 1.00 41.50 C ATOM 566 CE LYS A 39 -6.364 19.734 -47.685 1.00 4.21 C ATOM 567 NZ LYS A 39 -7.059 19.713 -48.999 1.00 32.51 N ATOM 0 H LYS A 39 -3.737 16.082 -48.457 1.00 43.31 H new ATOM 0 HA LYS A 39 -5.127 13.908 -47.043 1.00 13.11 H new ATOM 0 HB2 LYS A 39 -6.874 15.689 -46.722 1.00 22.03 H new ATOM 0 HB3 LYS A 39 -5.326 16.086 -46.005 1.00 22.03 H new ATOM 0 HG2 LYS A 39 -4.789 17.533 -47.961 1.00 14.54 H new ATOM 0 HG3 LYS A 39 -6.336 17.134 -48.681 1.00 14.54 H new ATOM 0 HD2 LYS A 39 -7.527 18.166 -46.780 1.00 41.50 H new ATOM 0 HD3 LYS A 39 -6.007 18.486 -45.969 1.00 41.50 H new ATOM 0 HE2 LYS A 39 -6.787 20.525 -47.066 1.00 4.21 H new ATOM 0 HE3 LYS A 39 -5.312 19.975 -47.837 1.00 4.21 H new ATOM 0 HZ1 LYS A 39 -7.073 20.673 -49.400 1.00 32.51 H new ATOM 0 HZ2 LYS A 39 -6.556 19.074 -49.648 1.00 32.51 H new ATOM 0 HZ3 LYS A 39 -8.035 19.377 -48.870 1.00 32.51 H new ATOM 581 N PRO A 40 -6.648 13.157 -48.874 1.00 42.33 N ATOM 582 CA PRO A 40 -7.600 12.707 -49.893 1.00 34.02 C ATOM 583 C PRO A 40 -8.964 13.386 -49.723 1.00 15.53 C ATOM 584 O PRO A 40 -9.327 13.800 -48.615 1.00 20.24 O ATOM 585 CB PRO A 40 -7.713 11.183 -49.653 1.00 14.44 C ATOM 586 CG PRO A 40 -6.674 10.855 -48.626 1.00 71.04 C ATOM 587 CD PRO A 40 -6.433 12.122 -47.854 1.00 13.23 C ATOM 0 HA PRO A 40 -7.271 12.954 -50.902 1.00 34.02 H new ATOM 0 HB2 PRO A 40 -8.709 10.915 -49.301 1.00 14.44 H new ATOM 0 HB3 PRO A 40 -7.541 10.628 -50.575 1.00 14.44 H new ATOM 0 HG2 PRO A 40 -7.016 10.057 -47.967 1.00 71.04 H new ATOM 0 HG3 PRO A 40 -5.756 10.507 -49.099 1.00 71.04 H new ATOM 0 HD2 PRO A 40 -7.124 12.226 -47.017 1.00 13.23 H new ATOM 0 HD3 PRO A 40 -5.425 12.161 -47.441 1.00 13.23 H new ATOM 595 N GLN A 41 -9.714 13.495 -50.815 1.00 71.30 N ATOM 596 CA GLN A 41 -11.027 14.139 -50.792 1.00 74.23 C ATOM 597 C GLN A 41 -11.908 13.608 -51.920 1.00 54.51 C ATOM 598 O GLN A 41 -11.457 12.813 -52.747 1.00 73.51 O ATOM 599 CB GLN A 41 -10.877 15.665 -50.893 1.00 32.32 C ATOM 600 CG GLN A 41 -10.072 16.135 -52.103 1.00 20.14 C ATOM 601 CD GLN A 41 -9.932 17.648 -52.164 1.00 75.11 C ATOM 602 OE1 GLN A 41 -10.814 18.386 -51.718 1.00 42.13 O ATOM 603 NE2 GLN A 41 -8.826 18.120 -52.714 1.00 32.25 N ATOM 0 H GLN A 41 -9.435 13.145 -51.732 1.00 71.30 H new ATOM 0 HA GLN A 41 -11.510 13.902 -49.844 1.00 74.23 H new ATOM 0 HB2 GLN A 41 -11.869 16.115 -50.934 1.00 32.32 H new ATOM 0 HB3 GLN A 41 -10.397 16.033 -49.986 1.00 32.32 H new ATOM 0 HG2 GLN A 41 -9.080 15.684 -52.072 1.00 20.14 H new ATOM 0 HG3 GLN A 41 -10.554 15.782 -53.014 1.00 20.14 H new ATOM 0 HE21 GLN A 41 -8.120 17.477 -53.072 1.00 32.25 H new ATOM 0 HE22 GLN A 41 -8.679 19.127 -52.781 1.00 32.25 H new ATOM 612 N ALA A 42 -13.166 14.040 -51.940 1.00 32.14 N ATOM 613 CA ALA A 42 -14.125 13.592 -52.946 1.00 64.43 C ATOM 614 C ALA A 42 -13.717 14.059 -54.344 1.00 53.00 C ATOM 615 O ALA A 42 -13.181 15.160 -54.507 1.00 74.42 O ATOM 616 CB ALA A 42 -15.525 14.095 -52.604 1.00 22.33 C ATOM 0 H ALA A 42 -13.547 14.704 -51.266 1.00 32.14 H new ATOM 0 HA ALA A 42 -14.132 12.502 -52.945 1.00 64.43 H new ATOM 0 HB1 ALA A 42 -16.230 13.754 -53.362 1.00 22.33 H new ATOM 0 HB2 ALA A 42 -15.823 13.707 -51.630 1.00 22.33 H new ATOM 0 HB3 ALA A 42 -15.523 15.185 -52.575 1.00 22.33 H new ATOM 622 N GLY A 43 -13.975 13.217 -55.343 1.00 22.23 N ATOM 623 CA GLY A 43 -13.639 13.543 -56.721 1.00 40.21 C ATOM 624 C GLY A 43 -12.187 13.246 -57.049 1.00 65.14 C ATOM 625 O GLY A 43 -11.658 13.729 -58.055 1.00 43.04 O ATOM 0 H GLY A 43 -14.416 12.305 -55.221 1.00 22.23 H new ATOM 0 HA2 GLY A 43 -14.284 12.976 -57.393 1.00 40.21 H new ATOM 0 HA3 GLY A 43 -13.841 14.599 -56.901 1.00 40.21 H new ATOM 629 N LYS A 44 -11.543 12.451 -56.196 1.00 15.02 N ATOM 630 CA LYS A 44 -10.137 12.085 -56.370 1.00 4.12 C ATOM 631 C LYS A 44 -9.994 10.617 -56.763 1.00 2.42 C ATOM 632 O LYS A 44 -10.454 9.728 -56.045 1.00 21.32 O ATOM 633 CB LYS A 44 -9.354 12.348 -55.072 1.00 74.43 C ATOM 634 CG LYS A 44 -9.069 13.824 -54.796 1.00 13.21 C ATOM 635 CD LYS A 44 -8.000 14.383 -55.734 1.00 25.44 C ATOM 636 CE LYS A 44 -6.665 13.669 -55.549 1.00 74.31 C ATOM 637 NZ LYS A 44 -5.636 14.127 -56.518 1.00 24.40 N ATOM 0 H LYS A 44 -11.978 12.044 -55.368 1.00 15.02 H new ATOM 0 HA LYS A 44 -9.729 12.700 -57.172 1.00 4.12 H new ATOM 0 HB2 LYS A 44 -9.915 11.936 -54.233 1.00 74.43 H new ATOM 0 HB3 LYS A 44 -8.407 11.810 -55.117 1.00 74.43 H new ATOM 0 HG2 LYS A 44 -9.988 14.399 -54.910 1.00 13.21 H new ATOM 0 HG3 LYS A 44 -8.744 13.944 -53.763 1.00 13.21 H new ATOM 0 HD2 LYS A 44 -8.330 14.277 -56.767 1.00 25.44 H new ATOM 0 HD3 LYS A 44 -7.872 15.449 -55.547 1.00 25.44 H new ATOM 0 HE2 LYS A 44 -6.304 13.837 -54.534 1.00 74.31 H new ATOM 0 HE3 LYS A 44 -6.812 12.595 -55.661 1.00 74.31 H new ATOM 0 HZ1 LYS A 44 -4.920 13.383 -56.641 1.00 24.40 H new ATOM 0 HZ2 LYS A 44 -6.087 14.329 -57.433 1.00 24.40 H new ATOM 0 HZ3 LYS A 44 -5.180 14.990 -56.159 1.00 24.40 H new ATOM 651 N LYS A 45 -9.369 10.371 -57.910 1.00 31.54 N ATOM 652 CA LYS A 45 -9.011 9.014 -58.311 1.00 2.24 C ATOM 653 C LYS A 45 -7.822 8.543 -57.478 1.00 43.32 C ATOM 654 O LYS A 45 -6.694 8.996 -57.684 1.00 1.42 O ATOM 655 CB LYS A 45 -8.671 8.954 -59.812 1.00 23.45 C ATOM 656 CG LYS A 45 -8.115 7.601 -60.270 1.00 51.53 C ATOM 657 CD LYS A 45 -9.133 6.471 -60.115 1.00 61.23 C ATOM 658 CE LYS A 45 -10.309 6.620 -61.074 1.00 43.20 C ATOM 659 NZ LYS A 45 -9.880 6.567 -62.498 1.00 55.24 N ATOM 0 H LYS A 45 -9.100 11.093 -58.578 1.00 31.54 H new ATOM 0 HA LYS A 45 -9.863 8.357 -58.137 1.00 2.24 H new ATOM 0 HB2 LYS A 45 -9.569 9.180 -60.387 1.00 23.45 H new ATOM 0 HB3 LYS A 45 -7.942 9.731 -60.041 1.00 23.45 H new ATOM 0 HG2 LYS A 45 -7.810 7.671 -61.314 1.00 51.53 H new ATOM 0 HG3 LYS A 45 -7.222 7.364 -59.692 1.00 51.53 H new ATOM 0 HD2 LYS A 45 -8.641 5.514 -60.292 1.00 61.23 H new ATOM 0 HD3 LYS A 45 -9.502 6.455 -59.090 1.00 61.23 H new ATOM 0 HE2 LYS A 45 -11.033 5.828 -60.884 1.00 43.20 H new ATOM 0 HE3 LYS A 45 -10.814 7.567 -60.883 1.00 43.20 H new ATOM 0 HZ1 LYS A 45 -10.713 6.433 -63.107 1.00 55.24 H new ATOM 0 HZ2 LYS A 45 -9.405 7.457 -62.751 1.00 55.24 H new ATOM 0 HZ3 LYS A 45 -9.222 5.773 -62.633 1.00 55.24 H new ATOM 673 N VAL A 46 -8.077 7.652 -56.530 1.00 62.24 N ATOM 674 CA VAL A 46 -7.047 7.198 -55.607 1.00 12.10 C ATOM 675 C VAL A 46 -6.589 5.775 -55.927 1.00 64.05 C ATOM 676 O VAL A 46 -7.385 4.923 -56.338 1.00 45.11 O ATOM 677 CB VAL A 46 -7.534 7.273 -54.137 1.00 33.35 C ATOM 678 CG1 VAL A 46 -7.818 8.720 -53.736 1.00 13.43 C ATOM 679 CG2 VAL A 46 -8.771 6.403 -53.925 1.00 33.14 C ATOM 0 H VAL A 46 -8.992 7.228 -56.380 1.00 62.24 H new ATOM 0 HA VAL A 46 -6.197 7.869 -55.730 1.00 12.10 H new ATOM 0 HB VAL A 46 -6.738 6.889 -53.499 1.00 33.35 H new ATOM 0 HG11 VAL A 46 -8.159 8.751 -52.701 1.00 13.43 H new ATOM 0 HG12 VAL A 46 -6.907 9.311 -53.836 1.00 13.43 H new ATOM 0 HG13 VAL A 46 -8.591 9.132 -54.385 1.00 13.43 H new ATOM 0 HG21 VAL A 46 -9.092 6.474 -52.886 1.00 33.14 H new ATOM 0 HG22 VAL A 46 -9.574 6.747 -54.577 1.00 33.14 H new ATOM 0 HG23 VAL A 46 -8.531 5.366 -54.161 1.00 33.14 H new ATOM 689 N THR A 47 -5.288 5.551 -55.767 1.00 20.33 N ATOM 690 CA THR A 47 -4.685 4.237 -55.922 1.00 43.45 C ATOM 691 C THR A 47 -4.384 3.659 -54.539 1.00 3.34 C ATOM 692 O THR A 47 -3.478 4.133 -53.840 1.00 53.32 O ATOM 693 CB THR A 47 -3.378 4.327 -56.744 1.00 31.33 C ATOM 694 OG1 THR A 47 -3.615 5.042 -57.968 1.00 10.14 O ATOM 695 CG2 THR A 47 -2.825 2.942 -57.059 1.00 54.21 C ATOM 0 H THR A 47 -4.621 6.283 -55.525 1.00 20.33 H new ATOM 0 HA THR A 47 -5.381 3.589 -56.454 1.00 43.45 H new ATOM 0 HB THR A 47 -2.641 4.861 -56.144 1.00 31.33 H new ATOM 0 HG1 THR A 47 -2.759 5.235 -58.405 1.00 10.14 H new ATOM 0 HG21 THR A 47 -1.906 3.040 -57.638 1.00 54.21 H new ATOM 0 HG22 THR A 47 -2.614 2.414 -56.129 1.00 54.21 H new ATOM 0 HG23 THR A 47 -3.559 2.380 -57.636 1.00 54.21 H new ATOM 703 N VAL A 48 -5.161 2.653 -54.147 1.00 1.43 N ATOM 704 CA VAL A 48 -5.092 2.078 -52.805 1.00 41.03 C ATOM 705 C VAL A 48 -4.686 0.603 -52.840 1.00 2.14 C ATOM 706 O VAL A 48 -4.473 0.027 -53.907 1.00 5.01 O ATOM 707 CB VAL A 48 -6.452 2.206 -52.074 1.00 25.31 C ATOM 708 CG1 VAL A 48 -6.873 3.670 -51.973 1.00 2.44 C ATOM 709 CG2 VAL A 48 -7.521 1.373 -52.779 1.00 31.14 C ATOM 0 H VAL A 48 -5.856 2.213 -54.750 1.00 1.43 H new ATOM 0 HA VAL A 48 -4.331 2.641 -52.264 1.00 41.03 H new ATOM 0 HB VAL A 48 -6.338 1.819 -51.061 1.00 25.31 H new ATOM 0 HG11 VAL A 48 -7.830 3.738 -51.457 1.00 2.44 H new ATOM 0 HG12 VAL A 48 -6.120 4.228 -51.416 1.00 2.44 H new ATOM 0 HG13 VAL A 48 -6.970 4.091 -52.974 1.00 2.44 H new ATOM 0 HG21 VAL A 48 -8.469 1.476 -52.251 1.00 31.14 H new ATOM 0 HG22 VAL A 48 -7.637 1.723 -53.805 1.00 31.14 H new ATOM 0 HG23 VAL A 48 -7.221 0.325 -52.785 1.00 31.14 H new ATOM 719 N HIS A 49 -4.562 0.012 -51.658 1.00 0.12 N ATOM 720 CA HIS A 49 -4.203 -1.396 -51.502 1.00 21.40 C ATOM 721 C HIS A 49 -4.886 -1.958 -50.256 1.00 62.51 C ATOM 722 O HIS A 49 -4.970 -1.276 -49.238 1.00 12.42 O ATOM 723 CB HIS A 49 -2.665 -1.527 -51.420 1.00 65.53 C ATOM 724 CG HIS A 49 -2.145 -2.717 -50.666 1.00 3.22 C ATOM 725 ND1 HIS A 49 -1.138 -2.612 -49.737 1.00 4.14 N ATOM 726 CD2 HIS A 49 -2.475 -4.032 -50.710 1.00 44.34 C ATOM 727 CE1 HIS A 49 -0.875 -3.799 -49.237 1.00 71.41 C ATOM 728 NE2 HIS A 49 -1.673 -4.686 -49.806 1.00 60.41 N ATOM 0 H HIS A 49 -4.708 0.498 -50.773 1.00 0.12 H new ATOM 0 HA HIS A 49 -4.544 -1.973 -52.362 1.00 21.40 H new ATOM 0 HB2 HIS A 49 -2.269 -1.563 -52.435 1.00 65.53 H new ATOM 0 HB3 HIS A 49 -2.268 -0.625 -50.955 1.00 65.53 H new ATOM 0 HD1 HIS A 49 -0.667 -1.746 -49.475 1.00 4.14 H new ATOM 0 HD2 HIS A 49 -3.229 -4.482 -51.339 1.00 44.34 H new ATOM 0 HE1 HIS A 49 -0.130 -4.014 -48.485 1.00 71.41 H new ATOM 737 N TYR A 50 -5.379 -3.196 -50.354 1.00 14.34 N ATOM 738 CA TYR A 50 -6.102 -3.843 -49.252 1.00 11.42 C ATOM 739 C TYR A 50 -5.482 -5.199 -48.928 1.00 70.24 C ATOM 740 O TYR A 50 -4.934 -5.859 -49.813 1.00 63.33 O ATOM 741 CB TYR A 50 -7.579 -4.073 -49.622 1.00 61.52 C ATOM 742 CG TYR A 50 -8.350 -2.826 -50.017 1.00 44.20 C ATOM 743 CD1 TYR A 50 -8.923 -2.002 -49.054 1.00 71.34 C ATOM 744 CD2 TYR A 50 -8.525 -2.490 -51.355 1.00 44.43 C ATOM 745 CE1 TYR A 50 -9.642 -0.878 -49.415 1.00 2.23 C ATOM 746 CE2 TYR A 50 -9.240 -1.368 -51.721 1.00 51.13 C ATOM 747 CZ TYR A 50 -9.798 -0.565 -50.750 1.00 62.13 C ATOM 748 OH TYR A 50 -10.513 0.554 -51.113 1.00 33.15 O ATOM 0 H TYR A 50 -5.290 -3.774 -51.190 1.00 14.34 H new ATOM 0 HA TYR A 50 -6.035 -3.181 -48.389 1.00 11.42 H new ATOM 0 HB2 TYR A 50 -7.623 -4.784 -50.447 1.00 61.52 H new ATOM 0 HB3 TYR A 50 -8.081 -4.537 -48.773 1.00 61.52 H new ATOM 0 HD1 TYR A 50 -8.804 -2.244 -48.008 1.00 71.34 H new ATOM 0 HD2 TYR A 50 -8.094 -3.118 -52.121 1.00 44.43 H new ATOM 0 HE1 TYR A 50 -10.080 -0.247 -48.655 1.00 2.23 H new ATOM 0 HE2 TYR A 50 -9.362 -1.120 -52.765 1.00 51.13 H new ATOM 0 HH TYR A 50 -10.460 0.675 -52.084 1.00 33.15 H new ATOM 758 N ASP A 51 -5.574 -5.604 -47.664 1.00 4.52 N ATOM 759 CA ASP A 51 -5.231 -6.974 -47.253 1.00 51.23 C ATOM 760 C ASP A 51 -6.291 -7.500 -46.288 1.00 52.23 C ATOM 761 O ASP A 51 -6.618 -6.843 -45.300 1.00 72.43 O ATOM 762 CB ASP A 51 -3.846 -7.044 -46.587 1.00 43.42 C ATOM 763 CG ASP A 51 -2.707 -6.729 -47.544 1.00 52.30 C ATOM 764 OD1 ASP A 51 -2.559 -7.442 -48.559 1.00 62.22 O ATOM 765 OD2 ASP A 51 -1.943 -5.780 -47.283 1.00 54.15 O ATOM 0 H ASP A 51 -5.884 -5.004 -46.899 1.00 4.52 H new ATOM 0 HA ASP A 51 -5.200 -7.592 -48.150 1.00 51.23 H new ATOM 0 HB2 ASP A 51 -3.815 -6.344 -45.752 1.00 43.42 H new ATOM 0 HB3 ASP A 51 -3.699 -8.041 -46.172 1.00 43.42 H new ATOM 770 N GLY A 52 -6.827 -8.683 -46.582 1.00 64.23 N ATOM 771 CA GLY A 52 -7.903 -9.241 -45.779 1.00 20.04 C ATOM 772 C GLY A 52 -7.389 -10.148 -44.676 1.00 41.33 C ATOM 773 O GLY A 52 -6.804 -11.203 -44.952 1.00 22.22 O ATOM 0 H GLY A 52 -6.534 -9.267 -47.365 1.00 64.23 H new ATOM 0 HA2 GLY A 52 -8.483 -8.430 -45.338 1.00 20.04 H new ATOM 0 HA3 GLY A 52 -8.580 -9.803 -46.423 1.00 20.04 H new ATOM 777 N ARG A 53 -7.610 -9.748 -43.425 1.00 44.32 N ATOM 778 CA ARG A 53 -7.135 -10.510 -42.275 1.00 1.42 C ATOM 779 C ARG A 53 -8.238 -10.664 -41.228 1.00 33.53 C ATOM 780 O ARG A 53 -9.050 -9.758 -41.023 1.00 63.13 O ATOM 781 CB ARG A 53 -5.931 -9.806 -41.635 1.00 71.31 C ATOM 782 CG ARG A 53 -5.176 -10.674 -40.631 1.00 52.10 C ATOM 783 CD ARG A 53 -4.203 -9.867 -39.780 1.00 42.02 C ATOM 784 NE ARG A 53 -4.838 -9.340 -38.569 1.00 21.24 N ATOM 785 CZ ARG A 53 -4.191 -8.641 -37.635 1.00 61.51 C ATOM 786 NH1 ARG A 53 -2.912 -8.329 -37.794 1.00 32.45 N ATOM 787 NH2 ARG A 53 -4.821 -8.262 -36.532 1.00 4.41 N ATOM 0 H ARG A 53 -8.117 -8.897 -43.183 1.00 44.32 H new ATOM 0 HA ARG A 53 -6.840 -11.498 -42.627 1.00 1.42 H new ATOM 0 HB2 ARG A 53 -5.244 -9.494 -42.421 1.00 71.31 H new ATOM 0 HB3 ARG A 53 -6.274 -8.901 -41.134 1.00 71.31 H new ATOM 0 HG2 ARG A 53 -5.891 -11.178 -39.981 1.00 52.10 H new ATOM 0 HG3 ARG A 53 -4.629 -11.451 -41.166 1.00 52.10 H new ATOM 0 HD2 ARG A 53 -3.358 -10.496 -39.501 1.00 42.02 H new ATOM 0 HD3 ARG A 53 -3.805 -9.041 -40.369 1.00 42.02 H new ATOM 0 HE ARG A 53 -5.833 -9.518 -38.432 1.00 21.24 H new ATOM 0 HH11 ARG A 53 -2.416 -8.624 -38.635 1.00 32.45 H new ATOM 0 HH12 ARG A 53 -2.424 -7.794 -37.075 1.00 32.45 H new ATOM 0 HH21 ARG A 53 -5.802 -8.505 -36.396 1.00 4.41 H new ATOM 0 HH22 ARG A 53 -4.324 -7.728 -35.819 1.00 4.41 H new ATOM 801 N PHE A 54 -8.266 -11.815 -40.569 1.00 54.13 N ATOM 802 CA PHE A 54 -9.143 -12.010 -39.424 1.00 71.03 C ATOM 803 C PHE A 54 -8.571 -11.250 -38.224 1.00 14.50 C ATOM 804 O PHE A 54 -7.348 -11.165 -38.075 1.00 62.12 O ATOM 805 CB PHE A 54 -9.303 -13.507 -39.108 1.00 75.12 C ATOM 806 CG PHE A 54 -10.076 -14.267 -40.161 1.00 4.21 C ATOM 807 CD1 PHE A 54 -9.436 -14.804 -41.270 1.00 10.32 C ATOM 808 CD2 PHE A 54 -11.449 -14.442 -40.041 1.00 43.03 C ATOM 809 CE1 PHE A 54 -10.146 -15.497 -42.233 1.00 10.31 C ATOM 810 CE2 PHE A 54 -12.162 -15.135 -41.000 1.00 64.24 C ATOM 811 CZ PHE A 54 -11.510 -15.662 -42.097 1.00 33.43 C ATOM 0 H PHE A 54 -7.693 -12.625 -40.807 1.00 54.13 H new ATOM 0 HA PHE A 54 -10.135 -11.620 -39.654 1.00 71.03 H new ATOM 0 HB2 PHE A 54 -8.315 -13.955 -39.000 1.00 75.12 H new ATOM 0 HB3 PHE A 54 -9.809 -13.616 -38.149 1.00 75.12 H new ATOM 0 HD1 PHE A 54 -8.369 -14.679 -41.382 1.00 10.32 H new ATOM 0 HD2 PHE A 54 -11.966 -14.031 -39.187 1.00 43.03 H new ATOM 0 HE1 PHE A 54 -9.634 -15.909 -43.090 1.00 10.31 H new ATOM 0 HE2 PHE A 54 -13.229 -15.264 -40.892 1.00 64.24 H new ATOM 0 HZ PHE A 54 -12.067 -16.203 -42.848 1.00 33.43 H new ATOM 821 N PRO A 55 -9.447 -10.681 -37.367 1.00 32.51 N ATOM 822 CA PRO A 55 -9.046 -9.815 -36.245 1.00 12.25 C ATOM 823 C PRO A 55 -7.791 -10.290 -35.508 1.00 74.21 C ATOM 824 O PRO A 55 -6.862 -9.510 -35.289 1.00 2.34 O ATOM 825 CB PRO A 55 -10.268 -9.876 -35.325 1.00 42.22 C ATOM 826 CG PRO A 55 -11.420 -10.009 -36.263 1.00 14.43 C ATOM 827 CD PRO A 55 -10.920 -10.836 -37.426 1.00 41.45 C ATOM 0 HA PRO A 55 -8.779 -8.815 -36.587 1.00 12.25 H new ATOM 0 HB2 PRO A 55 -10.211 -10.723 -34.641 1.00 42.22 H new ATOM 0 HB3 PRO A 55 -10.353 -8.977 -34.714 1.00 42.22 H new ATOM 0 HG2 PRO A 55 -12.266 -10.494 -35.775 1.00 14.43 H new ATOM 0 HG3 PRO A 55 -11.764 -9.031 -36.599 1.00 14.43 H new ATOM 0 HD2 PRO A 55 -11.216 -11.881 -37.330 1.00 41.45 H new ATOM 0 HD3 PRO A 55 -11.322 -10.477 -38.373 1.00 41.45 H new ATOM 835 N ASP A 56 -7.764 -11.573 -35.155 1.00 72.30 N ATOM 836 CA ASP A 56 -6.697 -12.133 -34.321 1.00 2.21 C ATOM 837 C ASP A 56 -5.322 -12.022 -34.984 1.00 31.10 C ATOM 838 O ASP A 56 -4.335 -11.690 -34.321 1.00 51.45 O ATOM 839 CB ASP A 56 -6.997 -13.599 -33.986 1.00 33.21 C ATOM 840 CG ASP A 56 -8.269 -13.764 -33.167 1.00 3.34 C ATOM 841 OD1 ASP A 56 -8.196 -13.699 -31.919 1.00 33.45 O ATOM 842 OD2 ASP A 56 -9.346 -13.965 -33.770 1.00 1.05 O ATOM 0 H ASP A 56 -8.473 -12.251 -35.435 1.00 72.30 H new ATOM 0 HA ASP A 56 -6.667 -11.546 -33.403 1.00 2.21 H new ATOM 0 HB2 ASP A 56 -7.089 -14.168 -34.911 1.00 33.21 H new ATOM 0 HB3 ASP A 56 -6.157 -14.021 -33.434 1.00 33.21 H new ATOM 847 N GLY A 57 -5.254 -12.285 -36.289 1.00 5.43 N ATOM 848 CA GLY A 57 -3.973 -12.246 -36.987 1.00 3.42 C ATOM 849 C GLY A 57 -3.930 -13.153 -38.206 1.00 52.54 C ATOM 850 O GLY A 57 -3.141 -12.930 -39.127 1.00 13.40 O ATOM 0 H GLY A 57 -6.055 -12.523 -36.873 1.00 5.43 H new ATOM 0 HA2 GLY A 57 -3.766 -11.222 -37.296 1.00 3.42 H new ATOM 0 HA3 GLY A 57 -3.181 -12.537 -36.297 1.00 3.42 H new ATOM 854 N LYS A 58 -4.769 -14.184 -38.210 1.00 22.23 N ATOM 855 CA LYS A 58 -4.837 -15.121 -39.332 1.00 64.14 C ATOM 856 C LYS A 58 -5.375 -14.437 -40.592 1.00 44.42 C ATOM 857 O LYS A 58 -6.538 -14.032 -40.636 1.00 32.12 O ATOM 858 CB LYS A 58 -5.718 -16.321 -38.953 1.00 2.04 C ATOM 859 CG LYS A 58 -5.984 -17.299 -40.097 1.00 64.13 C ATOM 860 CD LYS A 58 -6.643 -18.589 -39.607 1.00 2.12 C ATOM 861 CE LYS A 58 -7.932 -18.330 -38.829 1.00 51.22 C ATOM 862 NZ LYS A 58 -8.999 -17.743 -39.681 1.00 12.14 N ATOM 0 H LYS A 58 -5.414 -14.394 -37.448 1.00 22.23 H new ATOM 0 HA LYS A 58 -3.829 -15.472 -39.551 1.00 64.14 H new ATOM 0 HB2 LYS A 58 -5.242 -16.860 -38.134 1.00 2.04 H new ATOM 0 HB3 LYS A 58 -6.673 -15.951 -38.579 1.00 2.04 H new ATOM 0 HG2 LYS A 58 -6.626 -16.823 -40.839 1.00 64.13 H new ATOM 0 HG3 LYS A 58 -5.044 -17.538 -40.595 1.00 64.13 H new ATOM 0 HD2 LYS A 58 -6.861 -19.229 -40.462 1.00 2.12 H new ATOM 0 HD3 LYS A 58 -5.943 -19.132 -38.973 1.00 2.12 H new ATOM 0 HE2 LYS A 58 -8.288 -19.266 -38.399 1.00 51.22 H new ATOM 0 HE3 LYS A 58 -7.723 -17.657 -37.998 1.00 51.22 H new ATOM 0 HZ1 LYS A 58 -9.883 -17.680 -39.136 1.00 12.14 H new ATOM 0 HZ2 LYS A 58 -8.713 -16.792 -39.989 1.00 12.14 H new ATOM 0 HZ3 LYS A 58 -9.149 -18.346 -40.515 1.00 12.14 H new ATOM 876 N GLN A 59 -4.523 -14.296 -41.603 1.00 62.31 N ATOM 877 CA GLN A 59 -4.930 -13.734 -42.892 1.00 30.32 C ATOM 878 C GLN A 59 -5.124 -14.854 -43.913 1.00 0.55 C ATOM 879 O GLN A 59 -4.403 -15.855 -43.889 1.00 71.44 O ATOM 880 CB GLN A 59 -3.894 -12.709 -43.393 1.00 41.23 C ATOM 881 CG GLN A 59 -2.460 -13.233 -43.451 1.00 10.35 C ATOM 882 CD GLN A 59 -1.459 -12.171 -43.890 1.00 72.33 C ATOM 883 OE1 GLN A 59 -1.662 -10.979 -43.667 1.00 24.21 O ATOM 884 NE2 GLN A 59 -0.367 -12.598 -44.503 1.00 55.00 N ATOM 0 H GLN A 59 -3.540 -14.564 -41.556 1.00 62.31 H new ATOM 0 HA GLN A 59 -5.879 -13.213 -42.762 1.00 30.32 H new ATOM 0 HB2 GLN A 59 -4.185 -12.374 -44.388 1.00 41.23 H new ATOM 0 HB3 GLN A 59 -3.922 -11.835 -42.742 1.00 41.23 H new ATOM 0 HG2 GLN A 59 -2.176 -13.609 -42.468 1.00 10.35 H new ATOM 0 HG3 GLN A 59 -2.414 -14.076 -44.141 1.00 10.35 H new ATOM 0 HE21 GLN A 59 -0.233 -13.595 -44.671 1.00 55.00 H new ATOM 0 HE22 GLN A 59 0.341 -11.930 -44.808 1.00 55.00 H new ATOM 893 N PHE A 60 -6.111 -14.692 -44.789 1.00 4.41 N ATOM 894 CA PHE A 60 -6.415 -15.704 -45.803 1.00 50.42 C ATOM 895 C PHE A 60 -5.745 -15.354 -47.129 1.00 13.13 C ATOM 896 O PHE A 60 -5.438 -16.238 -47.935 1.00 51.22 O ATOM 897 CB PHE A 60 -7.935 -15.859 -45.985 1.00 41.42 C ATOM 898 CG PHE A 60 -8.666 -14.581 -46.336 1.00 61.13 C ATOM 899 CD1 PHE A 60 -9.160 -13.750 -45.338 1.00 40.54 C ATOM 900 CD2 PHE A 60 -8.868 -14.218 -47.662 1.00 12.31 C ATOM 901 CE1 PHE A 60 -9.840 -12.589 -45.656 1.00 73.53 C ATOM 902 CE2 PHE A 60 -9.545 -13.056 -47.982 1.00 10.14 C ATOM 903 CZ PHE A 60 -10.032 -12.241 -46.978 1.00 13.11 C ATOM 0 H PHE A 60 -6.715 -13.871 -44.820 1.00 4.41 H new ATOM 0 HA PHE A 60 -6.017 -16.659 -45.460 1.00 50.42 H new ATOM 0 HB2 PHE A 60 -8.120 -16.594 -46.769 1.00 41.42 H new ATOM 0 HB3 PHE A 60 -8.358 -16.262 -45.065 1.00 41.42 H new ATOM 0 HD1 PHE A 60 -9.011 -14.014 -44.301 1.00 40.54 H new ATOM 0 HD2 PHE A 60 -8.492 -14.851 -48.452 1.00 12.31 H new ATOM 0 HE1 PHE A 60 -10.221 -11.954 -44.870 1.00 73.53 H new ATOM 0 HE2 PHE A 60 -9.693 -12.785 -49.017 1.00 10.14 H new ATOM 0 HZ PHE A 60 -10.562 -11.333 -47.227 1.00 13.11 H new ATOM 913 N ASP A 61 -5.512 -14.063 -47.346 1.00 72.13 N ATOM 914 CA ASP A 61 -4.849 -13.586 -48.557 1.00 21.25 C ATOM 915 C ASP A 61 -4.042 -12.334 -48.252 1.00 45.30 C ATOM 916 O ASP A 61 -4.497 -11.463 -47.507 1.00 20.32 O ATOM 917 CB ASP A 61 -5.870 -13.293 -49.666 1.00 71.44 C ATOM 918 CG ASP A 61 -5.215 -12.764 -50.935 1.00 31.53 C ATOM 919 OD1 ASP A 61 -4.510 -13.543 -51.613 1.00 42.41 O ATOM 920 OD2 ASP A 61 -5.403 -11.572 -51.268 1.00 45.10 O ATOM 0 H ASP A 61 -5.774 -13.323 -46.694 1.00 72.13 H new ATOM 0 HA ASP A 61 -4.178 -14.370 -48.908 1.00 21.25 H new ATOM 0 HB2 ASP A 61 -6.421 -14.204 -49.898 1.00 71.44 H new ATOM 0 HB3 ASP A 61 -6.596 -12.565 -49.304 1.00 71.44 H new ATOM 925 N SER A 62 -2.841 -12.256 -48.812 1.00 2.52 N ATOM 926 CA SER A 62 -1.966 -11.114 -48.597 1.00 22.13 C ATOM 927 C SER A 62 -1.558 -10.489 -49.934 1.00 22.13 C ATOM 928 O SER A 62 -0.545 -10.867 -50.533 1.00 25.20 O ATOM 929 CB SER A 62 -0.734 -11.546 -47.790 1.00 73.41 C ATOM 930 OG SER A 62 -0.072 -12.642 -48.405 1.00 51.41 O ATOM 0 H SER A 62 -2.451 -12.975 -49.421 1.00 2.52 H new ATOM 0 HA SER A 62 -2.504 -10.356 -48.027 1.00 22.13 H new ATOM 0 HB2 SER A 62 -0.044 -10.707 -47.698 1.00 73.41 H new ATOM 0 HB3 SER A 62 -1.037 -11.822 -46.780 1.00 73.41 H new ATOM 0 HG SER A 62 0.609 -12.996 -47.796 1.00 51.41 H new ATOM 936 N SER A 63 -2.350 -9.527 -50.398 1.00 2.54 N ATOM 937 CA SER A 63 -2.079 -8.848 -51.661 1.00 61.15 C ATOM 938 C SER A 63 -0.813 -7.991 -51.545 1.00 30.33 C ATOM 939 O SER A 63 -0.206 -7.616 -52.552 1.00 20.53 O ATOM 940 CB SER A 63 -3.289 -7.994 -52.070 1.00 5.12 C ATOM 941 OG SER A 63 -4.436 -8.809 -52.292 1.00 11.23 O ATOM 0 H SER A 63 -3.187 -9.199 -49.916 1.00 2.54 H new ATOM 0 HA SER A 63 -1.909 -9.595 -52.437 1.00 61.15 H new ATOM 0 HB2 SER A 63 -3.503 -7.263 -51.290 1.00 5.12 H new ATOM 0 HB3 SER A 63 -3.055 -7.435 -52.976 1.00 5.12 H new ATOM 0 HG SER A 63 -4.309 -9.678 -51.857 1.00 11.23 H new ATOM 947 N ARG A 64 -0.415 -7.701 -50.304 1.00 62.05 N ATOM 948 CA ARG A 64 0.819 -6.968 -50.026 1.00 51.31 C ATOM 949 C ARG A 64 2.023 -7.724 -50.592 1.00 11.31 C ATOM 950 O ARG A 64 2.974 -7.119 -51.082 1.00 41.21 O ATOM 951 CB ARG A 64 0.996 -6.763 -48.509 1.00 11.31 C ATOM 952 CG ARG A 64 1.311 -8.049 -47.736 1.00 31.34 C ATOM 953 CD ARG A 64 0.332 -8.316 -46.596 1.00 61.25 C ATOM 954 NE ARG A 64 0.352 -7.274 -45.571 1.00 63.21 N ATOM 955 CZ ARG A 64 1.329 -7.123 -44.671 1.00 44.35 C ATOM 956 NH1 ARG A 64 2.454 -7.823 -44.770 1.00 70.45 N ATOM 957 NH2 ARG A 64 1.188 -6.256 -43.683 1.00 74.42 N ATOM 0 H ARG A 64 -0.937 -7.967 -49.469 1.00 62.05 H new ATOM 0 HA ARG A 64 0.754 -5.992 -50.506 1.00 51.31 H new ATOM 0 HB2 ARG A 64 1.799 -6.045 -48.342 1.00 11.31 H new ATOM 0 HB3 ARG A 64 0.085 -6.322 -48.104 1.00 11.31 H new ATOM 0 HG2 ARG A 64 1.296 -8.893 -48.425 1.00 31.34 H new ATOM 0 HG3 ARG A 64 2.321 -7.985 -47.332 1.00 31.34 H new ATOM 0 HD2 ARG A 64 -0.676 -8.399 -47.002 1.00 61.25 H new ATOM 0 HD3 ARG A 64 0.571 -9.275 -46.136 1.00 61.25 H new ATOM 0 HE ARG A 64 -0.430 -6.620 -45.540 1.00 63.21 H new ATOM 0 HH11 ARG A 64 2.578 -8.483 -45.538 1.00 70.45 H new ATOM 0 HH12 ARG A 64 3.193 -7.700 -44.078 1.00 70.45 H new ATOM 0 HH21 ARG A 64 0.334 -5.703 -43.608 1.00 74.42 H new ATOM 0 HH22 ARG A 64 1.933 -6.140 -42.996 1.00 74.42 H new ATOM 971 N SER A 65 1.949 -9.054 -50.539 1.00 10.31 N ATOM 972 CA SER A 65 3.031 -9.911 -51.009 1.00 43.24 C ATOM 973 C SER A 65 3.220 -9.748 -52.518 1.00 30.11 C ATOM 974 O SER A 65 4.324 -9.916 -53.047 1.00 40.21 O ATOM 975 CB SER A 65 2.718 -11.372 -50.655 1.00 13.31 C ATOM 976 OG SER A 65 2.309 -11.486 -49.298 1.00 52.33 O ATOM 0 H SER A 65 1.144 -9.561 -50.172 1.00 10.31 H new ATOM 0 HA SER A 65 3.960 -9.620 -50.519 1.00 43.24 H new ATOM 0 HB2 SER A 65 1.932 -11.749 -51.309 1.00 13.31 H new ATOM 0 HB3 SER A 65 3.600 -11.990 -50.827 1.00 13.31 H new ATOM 0 HG SER A 65 1.428 -11.914 -49.257 1.00 52.33 H new ATOM 982 N ARG A 66 2.133 -9.407 -53.205 1.00 45.31 N ATOM 983 CA ARG A 66 2.162 -9.198 -54.647 1.00 14.00 C ATOM 984 C ARG A 66 2.328 -7.713 -54.966 1.00 1.23 C ATOM 985 O ARG A 66 2.691 -7.346 -56.084 1.00 33.32 O ATOM 986 CB ARG A 66 0.874 -9.727 -55.290 1.00 41.14 C ATOM 987 CG ARG A 66 0.592 -11.204 -55.015 1.00 42.33 C ATOM 988 CD ARG A 66 1.741 -12.105 -55.465 1.00 1.51 C ATOM 989 NE ARG A 66 2.088 -11.898 -56.875 1.00 14.23 N ATOM 990 CZ ARG A 66 2.190 -12.874 -57.778 1.00 13.50 C ATOM 991 NH1 ARG A 66 1.919 -14.132 -57.449 1.00 2.55 N ATOM 992 NH2 ARG A 66 2.558 -12.583 -59.019 1.00 75.44 N ATOM 0 H ARG A 66 1.216 -9.269 -52.781 1.00 45.31 H new ATOM 0 HA ARG A 66 3.012 -9.745 -55.056 1.00 14.00 H new ATOM 0 HB2 ARG A 66 0.033 -9.136 -54.929 1.00 41.14 H new ATOM 0 HB3 ARG A 66 0.931 -9.575 -56.368 1.00 41.14 H new ATOM 0 HG2 ARG A 66 0.417 -11.346 -53.949 1.00 42.33 H new ATOM 0 HG3 ARG A 66 -0.322 -11.500 -55.530 1.00 42.33 H new ATOM 0 HD2 ARG A 66 2.616 -11.912 -54.845 1.00 1.51 H new ATOM 0 HD3 ARG A 66 1.465 -13.148 -55.310 1.00 1.51 H new ATOM 0 HE ARG A 66 2.263 -10.943 -57.186 1.00 14.23 H new ATOM 0 HH11 ARG A 66 1.630 -14.359 -56.498 1.00 2.55 H new ATOM 0 HH12 ARG A 66 2.000 -14.871 -58.148 1.00 2.55 H new ATOM 0 HH21 ARG A 66 2.761 -11.617 -59.278 1.00 75.44 H new ATOM 0 HH22 ARG A 66 2.638 -13.325 -59.714 1.00 75.44 H new ATOM 1006 N GLY A 67 2.070 -6.866 -53.969 1.00 34.51 N ATOM 1007 CA GLY A 67 2.111 -5.428 -54.172 1.00 34.10 C ATOM 1008 C GLY A 67 1.049 -4.970 -55.152 1.00 63.33 C ATOM 1009 O GLY A 67 1.266 -4.044 -55.932 1.00 1.24 O ATOM 0 H GLY A 67 1.832 -7.154 -53.020 1.00 34.51 H new ATOM 0 HA2 GLY A 67 1.968 -4.921 -53.217 1.00 34.10 H new ATOM 0 HA3 GLY A 67 3.095 -5.140 -54.541 1.00 34.10 H new ATOM 1013 N LYS A 68 -0.103 -5.632 -55.105 1.00 75.34 N ATOM 1014 CA LYS A 68 -1.191 -5.372 -56.044 1.00 45.14 C ATOM 1015 C LYS A 68 -2.064 -4.214 -55.538 1.00 23.21 C ATOM 1016 O LYS A 68 -2.670 -4.313 -54.467 1.00 4.34 O ATOM 1017 CB LYS A 68 -2.021 -6.661 -56.233 1.00 40.24 C ATOM 1018 CG LYS A 68 -2.984 -6.648 -57.425 1.00 60.33 C ATOM 1019 CD LYS A 68 -4.224 -5.794 -57.173 1.00 74.22 C ATOM 1020 CE LYS A 68 -5.184 -5.813 -58.355 1.00 64.14 C ATOM 1021 NZ LYS A 68 -6.318 -4.876 -58.150 1.00 71.10 N ATOM 0 H LYS A 68 -0.309 -6.359 -54.420 1.00 75.34 H new ATOM 0 HA LYS A 68 -0.781 -5.078 -57.010 1.00 45.14 H new ATOM 0 HB2 LYS A 68 -1.336 -7.501 -56.349 1.00 40.24 H new ATOM 0 HB3 LYS A 68 -2.595 -6.841 -55.324 1.00 40.24 H new ATOM 0 HG2 LYS A 68 -2.462 -6.272 -58.304 1.00 60.33 H new ATOM 0 HG3 LYS A 68 -3.291 -7.669 -57.650 1.00 60.33 H new ATOM 0 HD2 LYS A 68 -4.738 -6.157 -56.283 1.00 74.22 H new ATOM 0 HD3 LYS A 68 -3.921 -4.767 -56.970 1.00 74.22 H new ATOM 0 HE2 LYS A 68 -4.648 -5.543 -59.265 1.00 64.14 H new ATOM 0 HE3 LYS A 68 -5.567 -6.823 -58.498 1.00 64.14 H new ATOM 0 HZ1 LYS A 68 -6.848 -4.772 -59.039 1.00 71.10 H new ATOM 0 HZ2 LYS A 68 -6.949 -5.250 -57.413 1.00 71.10 H new ATOM 0 HZ3 LYS A 68 -5.953 -3.948 -57.854 1.00 71.10 H new ATOM 1035 N PRO A 69 -2.116 -3.093 -56.291 1.00 1.43 N ATOM 1036 CA PRO A 69 -2.944 -1.937 -55.953 1.00 41.05 C ATOM 1037 C PRO A 69 -4.315 -1.969 -56.644 1.00 63.34 C ATOM 1038 O PRO A 69 -4.590 -2.838 -57.473 1.00 73.21 O ATOM 1039 CB PRO A 69 -2.093 -0.783 -56.488 1.00 65.54 C ATOM 1040 CG PRO A 69 -1.440 -1.339 -57.718 1.00 33.42 C ATOM 1041 CD PRO A 69 -1.345 -2.842 -57.528 1.00 34.41 C ATOM 0 HA PRO A 69 -3.181 -1.878 -54.891 1.00 41.05 H new ATOM 0 HB2 PRO A 69 -2.706 0.087 -56.723 1.00 65.54 H new ATOM 0 HB3 PRO A 69 -1.352 -0.463 -55.755 1.00 65.54 H new ATOM 0 HG2 PRO A 69 -2.023 -1.099 -58.607 1.00 33.42 H new ATOM 0 HG3 PRO A 69 -0.450 -0.905 -57.859 1.00 33.42 H new ATOM 0 HD2 PRO A 69 -1.766 -3.380 -58.377 1.00 34.41 H new ATOM 0 HD3 PRO A 69 -0.310 -3.167 -57.427 1.00 34.41 H new ATOM 1049 N PHE A 70 -5.162 -1.004 -56.306 1.00 41.12 N ATOM 1050 CA PHE A 70 -6.495 -0.888 -56.886 1.00 52.04 C ATOM 1051 C PHE A 70 -6.898 0.583 -56.939 1.00 55.23 C ATOM 1052 O PHE A 70 -6.802 1.288 -55.939 1.00 31.10 O ATOM 1053 CB PHE A 70 -7.506 -1.695 -56.055 1.00 51.25 C ATOM 1054 CG PHE A 70 -8.926 -1.608 -56.558 1.00 44.01 C ATOM 1055 CD1 PHE A 70 -9.343 -2.373 -57.640 1.00 50.33 C ATOM 1056 CD2 PHE A 70 -9.844 -0.762 -55.950 1.00 54.02 C ATOM 1057 CE1 PHE A 70 -10.642 -2.296 -58.103 1.00 71.23 C ATOM 1058 CE2 PHE A 70 -11.144 -0.681 -56.410 1.00 42.20 C ATOM 1059 CZ PHE A 70 -11.544 -1.448 -57.488 1.00 20.44 C ATOM 0 H PHE A 70 -4.944 -0.279 -55.622 1.00 41.12 H new ATOM 0 HA PHE A 70 -6.487 -1.291 -57.899 1.00 52.04 H new ATOM 0 HB2 PHE A 70 -7.199 -2.741 -56.045 1.00 51.25 H new ATOM 0 HB3 PHE A 70 -7.475 -1.344 -55.024 1.00 51.25 H new ATOM 0 HD1 PHE A 70 -8.643 -3.036 -58.125 1.00 50.33 H new ATOM 0 HD2 PHE A 70 -9.538 -0.160 -55.107 1.00 54.02 H new ATOM 0 HE1 PHE A 70 -10.953 -2.898 -58.944 1.00 71.23 H new ATOM 0 HE2 PHE A 70 -11.848 -0.019 -55.928 1.00 42.20 H new ATOM 0 HZ PHE A 70 -12.560 -1.385 -57.849 1.00 20.44 H new ATOM 1069 N GLN A 71 -7.333 1.044 -58.105 1.00 45.33 N ATOM 1070 CA GLN A 71 -7.700 2.448 -58.287 1.00 52.35 C ATOM 1071 C GLN A 71 -9.215 2.615 -58.312 1.00 12.44 C ATOM 1072 O GLN A 71 -9.922 1.827 -58.943 1.00 73.44 O ATOM 1073 CB GLN A 71 -7.109 2.993 -59.594 1.00 41.45 C ATOM 1074 CG GLN A 71 -5.589 2.913 -59.679 1.00 24.22 C ATOM 1075 CD GLN A 71 -5.046 3.491 -60.977 1.00 52.53 C ATOM 1076 OE1 GLN A 71 -5.712 3.455 -62.013 1.00 33.44 O ATOM 1077 NE2 GLN A 71 -3.838 4.034 -60.930 1.00 75.03 N ATOM 0 H GLN A 71 -7.441 0.469 -58.940 1.00 45.33 H new ATOM 0 HA GLN A 71 -7.295 3.009 -57.445 1.00 52.35 H new ATOM 0 HB2 GLN A 71 -7.537 2.440 -60.430 1.00 41.45 H new ATOM 0 HB3 GLN A 71 -7.413 4.033 -59.710 1.00 41.45 H new ATOM 0 HG2 GLN A 71 -5.153 3.449 -58.836 1.00 24.22 H new ATOM 0 HG3 GLN A 71 -5.278 1.872 -59.591 1.00 24.22 H new ATOM 0 HE21 GLN A 71 -3.317 4.045 -60.053 1.00 75.03 H new ATOM 0 HE22 GLN A 71 -3.429 4.441 -61.771 1.00 75.03 H new ATOM 1086 N PHE A 72 -9.707 3.642 -57.629 1.00 73.33 N ATOM 1087 CA PHE A 72 -11.125 3.995 -57.684 1.00 2.55 C ATOM 1088 C PHE A 72 -11.300 5.476 -57.366 1.00 20.34 C ATOM 1089 O PHE A 72 -10.428 6.092 -56.752 1.00 61.22 O ATOM 1090 CB PHE A 72 -11.958 3.129 -56.722 1.00 25.13 C ATOM 1091 CG PHE A 72 -11.753 3.441 -55.259 1.00 43.44 C ATOM 1092 CD1 PHE A 72 -10.715 2.861 -54.545 1.00 1.40 C ATOM 1093 CD2 PHE A 72 -12.612 4.309 -54.595 1.00 73.40 C ATOM 1094 CE1 PHE A 72 -10.538 3.140 -53.203 1.00 5.31 C ATOM 1095 CE2 PHE A 72 -12.436 4.593 -53.258 1.00 1.11 C ATOM 1096 CZ PHE A 72 -11.400 4.007 -52.561 1.00 32.03 C ATOM 0 H PHE A 72 -9.146 4.247 -57.029 1.00 73.33 H new ATOM 0 HA PHE A 72 -11.488 3.801 -58.693 1.00 2.55 H new ATOM 0 HB2 PHE A 72 -13.014 3.255 -56.962 1.00 25.13 H new ATOM 0 HB3 PHE A 72 -11.714 2.081 -56.894 1.00 25.13 H new ATOM 0 HD1 PHE A 72 -10.037 2.184 -55.043 1.00 1.40 H new ATOM 0 HD2 PHE A 72 -13.428 4.767 -55.134 1.00 73.40 H new ATOM 0 HE1 PHE A 72 -9.727 2.681 -52.657 1.00 5.31 H new ATOM 0 HE2 PHE A 72 -13.108 5.273 -52.757 1.00 1.11 H new ATOM 0 HZ PHE A 72 -11.263 4.226 -51.512 1.00 32.03 H new ATOM 1106 N THR A 73 -12.416 6.049 -57.796 1.00 51.11 N ATOM 1107 CA THR A 73 -12.691 7.461 -57.568 1.00 1.20 C ATOM 1108 C THR A 73 -13.374 7.670 -56.217 1.00 62.13 C ATOM 1109 O THR A 73 -14.550 7.331 -56.044 1.00 74.23 O ATOM 1110 CB THR A 73 -13.578 8.037 -58.695 1.00 52.41 C ATOM 1111 OG1 THR A 73 -13.002 7.712 -59.967 1.00 54.54 O ATOM 1112 CG2 THR A 73 -13.721 9.554 -58.570 1.00 75.20 C ATOM 0 H THR A 73 -13.148 5.555 -58.307 1.00 51.11 H new ATOM 0 HA THR A 73 -11.737 7.988 -57.566 1.00 1.20 H new ATOM 0 HB THR A 73 -14.571 7.595 -58.609 1.00 52.41 H new ATOM 0 HG1 THR A 73 -13.564 8.075 -60.683 1.00 54.54 H new ATOM 0 HG21 THR A 73 -14.351 9.928 -59.377 1.00 75.20 H new ATOM 0 HG22 THR A 73 -14.178 9.799 -57.611 1.00 75.20 H new ATOM 0 HG23 THR A 73 -12.737 10.019 -58.632 1.00 75.20 H new ATOM 1120 N LEU A 74 -12.625 8.206 -55.257 1.00 41.42 N ATOM 1121 CA LEU A 74 -13.158 8.491 -53.930 1.00 2.01 C ATOM 1122 C LEU A 74 -14.324 9.474 -54.041 1.00 50.22 C ATOM 1123 O LEU A 74 -14.140 10.635 -54.413 1.00 44.43 O ATOM 1124 CB LEU A 74 -12.058 9.055 -53.015 1.00 4.02 C ATOM 1125 CG LEU A 74 -12.478 9.313 -51.555 1.00 75.13 C ATOM 1126 CD1 LEU A 74 -12.938 8.021 -50.880 1.00 51.31 C ATOM 1127 CD2 LEU A 74 -11.334 9.952 -50.771 1.00 40.31 C ATOM 0 H LEU A 74 -11.642 8.452 -55.376 1.00 41.42 H new ATOM 0 HA LEU A 74 -13.521 7.563 -53.488 1.00 2.01 H new ATOM 0 HB2 LEU A 74 -11.218 8.361 -53.016 1.00 4.02 H new ATOM 0 HB3 LEU A 74 -11.699 9.991 -53.442 1.00 4.02 H new ATOM 0 HG LEU A 74 -13.319 10.006 -51.564 1.00 75.13 H new ATOM 0 HD11 LEU A 74 -13.229 8.232 -49.851 1.00 51.31 H new ATOM 0 HD12 LEU A 74 -13.791 7.611 -51.421 1.00 51.31 H new ATOM 0 HD13 LEU A 74 -12.123 7.297 -50.886 1.00 51.31 H new ATOM 0 HD21 LEU A 74 -11.650 10.126 -49.743 1.00 40.31 H new ATOM 0 HD22 LEU A 74 -10.472 9.285 -50.777 1.00 40.31 H new ATOM 0 HD23 LEU A 74 -11.062 10.901 -51.233 1.00 40.31 H new ATOM 1139 N GLY A 75 -15.522 8.986 -53.745 1.00 21.12 N ATOM 1140 CA GLY A 75 -16.726 9.780 -53.902 1.00 51.53 C ATOM 1141 C GLY A 75 -17.833 8.969 -54.543 1.00 33.31 C ATOM 1142 O GLY A 75 -19.018 9.192 -54.279 1.00 41.10 O ATOM 0 H GLY A 75 -15.682 8.042 -53.394 1.00 21.12 H new ATOM 0 HA2 GLY A 75 -17.055 10.145 -52.929 1.00 51.53 H new ATOM 0 HA3 GLY A 75 -16.511 10.656 -54.514 1.00 51.53 H new ATOM 1146 N ALA A 76 -17.436 8.021 -55.389 1.00 23.41 N ATOM 1147 CA ALA A 76 -18.372 7.102 -56.027 1.00 10.02 C ATOM 1148 C ALA A 76 -18.444 5.800 -55.233 1.00 2.44 C ATOM 1149 O ALA A 76 -17.514 5.471 -54.490 1.00 74.43 O ATOM 1150 CB ALA A 76 -17.951 6.837 -57.471 1.00 13.12 C ATOM 0 H ALA A 76 -16.462 7.870 -55.650 1.00 23.41 H new ATOM 0 HA ALA A 76 -19.364 7.554 -56.041 1.00 10.02 H new ATOM 0 HB1 ALA A 76 -18.658 6.150 -57.936 1.00 13.12 H new ATOM 0 HB2 ALA A 76 -17.940 7.776 -58.025 1.00 13.12 H new ATOM 0 HB3 ALA A 76 -16.954 6.396 -57.484 1.00 13.12 H new ATOM 1156 N GLY A 77 -19.534 5.057 -55.401 1.00 45.30 N ATOM 1157 CA GLY A 77 -19.731 3.824 -54.653 1.00 54.35 C ATOM 1158 C GLY A 77 -18.940 2.653 -55.211 1.00 33.32 C ATOM 1159 O GLY A 77 -19.458 1.539 -55.312 1.00 54.41 O ATOM 0 H GLY A 77 -20.290 5.287 -56.046 1.00 45.30 H new ATOM 0 HA2 GLY A 77 -19.443 3.987 -53.614 1.00 54.35 H new ATOM 0 HA3 GLY A 77 -20.791 3.571 -54.654 1.00 54.35 H new ATOM 1163 N GLU A 78 -17.681 2.899 -55.567 1.00 32.55 N ATOM 1164 CA GLU A 78 -16.805 1.852 -56.090 1.00 75.44 C ATOM 1165 C GLU A 78 -16.435 0.865 -54.983 1.00 54.02 C ATOM 1166 O GLU A 78 -16.089 -0.289 -55.249 1.00 2.52 O ATOM 1167 CB GLU A 78 -15.534 2.468 -56.692 1.00 2.50 C ATOM 1168 CG GLU A 78 -15.797 3.417 -57.858 1.00 4.04 C ATOM 1169 CD GLU A 78 -16.471 2.729 -59.035 1.00 63.04 C ATOM 1170 OE1 GLU A 78 -15.771 2.044 -59.810 1.00 1.53 O ATOM 1171 OE2 GLU A 78 -17.704 2.867 -59.188 1.00 75.43 O ATOM 0 H GLU A 78 -17.243 3.818 -55.503 1.00 32.55 H new ATOM 0 HA GLU A 78 -17.340 1.316 -56.874 1.00 75.44 H new ATOM 0 HB2 GLU A 78 -14.999 3.008 -55.911 1.00 2.50 H new ATOM 0 HB3 GLU A 78 -14.879 1.665 -57.031 1.00 2.50 H new ATOM 0 HG2 GLU A 78 -16.424 4.241 -57.516 1.00 4.04 H new ATOM 0 HG3 GLU A 78 -14.853 3.851 -58.188 1.00 4.04 H new ATOM 1178 N VAL A 79 -16.511 1.332 -53.739 1.00 13.45 N ATOM 1179 CA VAL A 79 -16.192 0.516 -52.569 1.00 1.34 C ATOM 1180 C VAL A 79 -17.244 0.717 -51.482 1.00 20.50 C ATOM 1181 O VAL A 79 -18.078 1.622 -51.572 1.00 12.22 O ATOM 1182 CB VAL A 79 -14.792 0.863 -51.991 1.00 22.51 C ATOM 1183 CG1 VAL A 79 -13.690 0.555 -53.005 1.00 2.53 C ATOM 1184 CG2 VAL A 79 -14.736 2.327 -51.543 1.00 32.01 C ATOM 0 H VAL A 79 -16.795 2.285 -53.513 1.00 13.45 H new ATOM 0 HA VAL A 79 -16.184 -0.525 -52.892 1.00 1.34 H new ATOM 0 HB VAL A 79 -14.623 0.237 -51.115 1.00 22.51 H new ATOM 0 HG11 VAL A 79 -12.720 0.807 -52.576 1.00 2.53 H new ATOM 0 HG12 VAL A 79 -13.712 -0.506 -53.255 1.00 2.53 H new ATOM 0 HG13 VAL A 79 -13.851 1.144 -53.908 1.00 2.53 H new ATOM 0 HG21 VAL A 79 -13.747 2.547 -51.142 1.00 32.01 H new ATOM 0 HG22 VAL A 79 -14.935 2.976 -52.396 1.00 32.01 H new ATOM 0 HG23 VAL A 79 -15.487 2.501 -50.772 1.00 32.01 H new ATOM 1194 N ILE A 80 -17.208 -0.135 -50.464 1.00 75.42 N ATOM 1195 CA ILE A 80 -18.112 -0.020 -49.324 1.00 23.41 C ATOM 1196 C ILE A 80 -17.672 1.126 -48.409 1.00 60.52 C ATOM 1197 O ILE A 80 -16.504 1.523 -48.424 1.00 13.14 O ATOM 1198 CB ILE A 80 -18.170 -1.344 -48.521 1.00 73.33 C ATOM 1199 CG1 ILE A 80 -16.754 -1.780 -48.100 1.00 72.25 C ATOM 1200 CG2 ILE A 80 -18.856 -2.434 -49.343 1.00 24.01 C ATOM 1201 CD1 ILE A 80 -16.697 -3.131 -47.418 1.00 43.25 C ATOM 0 H ILE A 80 -16.558 -0.919 -50.404 1.00 75.42 H new ATOM 0 HA ILE A 80 -19.110 0.192 -49.708 1.00 23.41 H new ATOM 0 HB ILE A 80 -18.756 -1.180 -47.617 1.00 73.33 H new ATOM 0 HG12 ILE A 80 -16.116 -1.804 -48.983 1.00 72.25 H new ATOM 0 HG13 ILE A 80 -16.339 -1.029 -47.428 1.00 72.25 H new ATOM 0 HG21 ILE A 80 -18.889 -3.358 -48.766 1.00 24.01 H new ATOM 0 HG22 ILE A 80 -19.871 -2.121 -49.586 1.00 24.01 H new ATOM 0 HG23 ILE A 80 -18.297 -2.601 -50.264 1.00 24.01 H new ATOM 0 HD11 ILE A 80 -15.665 -3.362 -47.154 1.00 43.25 H new ATOM 0 HD12 ILE A 80 -17.306 -3.108 -46.514 1.00 43.25 H new ATOM 0 HD13 ILE A 80 -17.079 -3.896 -48.094 1.00 43.25 H new ATOM 1213 N LYS A 81 -18.602 1.638 -47.602 1.00 23.20 N ATOM 1214 CA LYS A 81 -18.343 2.812 -46.762 1.00 11.25 C ATOM 1215 C LYS A 81 -17.129 2.569 -45.862 1.00 2.21 C ATOM 1216 O LYS A 81 -16.328 3.475 -45.625 1.00 14.32 O ATOM 1217 CB LYS A 81 -19.595 3.152 -45.924 1.00 0.11 C ATOM 1218 CG LYS A 81 -19.633 4.587 -45.376 1.00 41.11 C ATOM 1219 CD LYS A 81 -18.672 4.805 -44.203 1.00 62.14 C ATOM 1220 CE LYS A 81 -18.580 6.276 -43.802 1.00 73.31 C ATOM 1221 NZ LYS A 81 -18.096 7.131 -44.919 1.00 30.33 N ATOM 0 H LYS A 81 -19.544 1.258 -47.511 1.00 23.20 H new ATOM 0 HA LYS A 81 -18.119 3.664 -47.405 1.00 11.25 H new ATOM 0 HB2 LYS A 81 -20.481 2.989 -46.538 1.00 0.11 H new ATOM 0 HB3 LYS A 81 -19.654 2.457 -45.087 1.00 0.11 H new ATOM 0 HG2 LYS A 81 -19.384 5.283 -46.177 1.00 41.11 H new ATOM 0 HG3 LYS A 81 -20.648 4.821 -45.055 1.00 41.11 H new ATOM 0 HD2 LYS A 81 -19.005 4.217 -43.348 1.00 62.14 H new ATOM 0 HD3 LYS A 81 -17.681 4.441 -44.474 1.00 62.14 H new ATOM 0 HE2 LYS A 81 -19.560 6.625 -43.477 1.00 73.31 H new ATOM 0 HE3 LYS A 81 -17.907 6.378 -42.950 1.00 73.31 H new ATOM 0 HZ1 LYS A 81 -17.340 7.757 -44.575 1.00 30.33 H new ATOM 0 HZ2 LYS A 81 -17.727 6.529 -45.682 1.00 30.33 H new ATOM 0 HZ3 LYS A 81 -18.883 7.706 -45.282 1.00 30.33 H new ATOM 1235 N GLY A 82 -16.994 1.339 -45.374 1.00 34.43 N ATOM 1236 CA GLY A 82 -15.866 0.995 -44.524 1.00 31.53 C ATOM 1237 C GLY A 82 -14.533 1.285 -45.195 1.00 11.44 C ATOM 1238 O GLY A 82 -13.642 1.895 -44.595 1.00 11.05 O ATOM 0 H GLY A 82 -17.645 0.574 -45.552 1.00 34.43 H new ATOM 0 HA2 GLY A 82 -15.931 1.556 -43.592 1.00 31.53 H new ATOM 0 HA3 GLY A 82 -15.918 -0.062 -44.264 1.00 31.53 H new ATOM 1242 N TRP A 83 -14.412 0.873 -46.453 1.00 20.04 N ATOM 1243 CA TRP A 83 -13.174 1.052 -47.208 1.00 54.32 C ATOM 1244 C TRP A 83 -12.992 2.516 -47.595 1.00 71.34 C ATOM 1245 O TRP A 83 -11.877 3.036 -47.558 1.00 52.20 O ATOM 1246 CB TRP A 83 -13.171 0.164 -48.461 1.00 1.15 C ATOM 1247 CG TRP A 83 -13.152 -1.308 -48.158 1.00 60.24 C ATOM 1248 CD1 TRP A 83 -13.021 -1.896 -46.933 1.00 62.11 C ATOM 1249 CD2 TRP A 83 -13.253 -2.381 -49.106 1.00 23.23 C ATOM 1250 NE1 TRP A 83 -13.052 -3.263 -47.058 1.00 5.04 N ATOM 1251 CE2 TRP A 83 -13.189 -3.585 -48.381 1.00 4.34 C ATOM 1252 CE3 TRP A 83 -13.399 -2.437 -50.495 1.00 42.12 C ATOM 1253 CZ2 TRP A 83 -13.263 -4.832 -48.998 1.00 13.44 C ATOM 1254 CZ3 TRP A 83 -13.470 -3.675 -51.108 1.00 3.14 C ATOM 1255 CH2 TRP A 83 -13.405 -4.858 -50.359 1.00 54.32 C ATOM 0 H TRP A 83 -15.158 0.411 -46.973 1.00 20.04 H new ATOM 0 HA TRP A 83 -12.340 0.754 -46.573 1.00 54.32 H new ATOM 0 HB2 TRP A 83 -14.054 0.392 -49.059 1.00 1.15 H new ATOM 0 HB3 TRP A 83 -12.301 0.412 -49.069 1.00 1.15 H new ATOM 0 HD1 TRP A 83 -12.909 -1.363 -46.000 1.00 62.11 H new ATOM 0 HE1 TRP A 83 -12.984 -3.930 -46.289 1.00 5.04 H new ATOM 0 HE3 TRP A 83 -13.455 -1.530 -51.079 1.00 42.12 H new ATOM 0 HZ2 TRP A 83 -13.210 -5.745 -48.423 1.00 13.44 H new ATOM 0 HZ3 TRP A 83 -13.577 -3.731 -52.181 1.00 3.14 H new ATOM 0 HH2 TRP A 83 -13.468 -5.809 -50.866 1.00 54.32 H new ATOM 1266 N ASP A 84 -14.093 3.175 -47.955 1.00 72.43 N ATOM 1267 CA ASP A 84 -14.058 4.596 -48.316 1.00 32.24 C ATOM 1268 C ASP A 84 -13.488 5.416 -47.159 1.00 32.32 C ATOM 1269 O ASP A 84 -12.577 6.230 -47.344 1.00 11.55 O ATOM 1270 CB ASP A 84 -15.469 5.095 -48.726 1.00 51.14 C ATOM 1271 CG ASP A 84 -15.995 6.260 -47.884 1.00 24.20 C ATOM 1272 OD1 ASP A 84 -15.545 7.408 -48.087 1.00 3.24 O ATOM 1273 OD2 ASP A 84 -16.874 6.036 -47.023 1.00 41.55 O ATOM 0 H ASP A 84 -15.019 2.751 -48.005 1.00 72.43 H new ATOM 0 HA ASP A 84 -13.404 4.725 -49.178 1.00 32.24 H new ATOM 0 HB2 ASP A 84 -15.444 5.401 -49.772 1.00 51.14 H new ATOM 0 HB3 ASP A 84 -16.171 4.264 -48.654 1.00 51.14 H new ATOM 1278 N GLN A 85 -14.008 5.178 -45.958 1.00 53.44 N ATOM 1279 CA GLN A 85 -13.523 5.868 -44.774 1.00 73.31 C ATOM 1280 C GLN A 85 -12.077 5.467 -44.494 1.00 50.41 C ATOM 1281 O GLN A 85 -11.228 6.318 -44.215 1.00 43.23 O ATOM 1282 CB GLN A 85 -14.410 5.561 -43.560 1.00 11.22 C ATOM 1283 CG GLN A 85 -14.041 6.369 -42.321 1.00 25.14 C ATOM 1284 CD GLN A 85 -15.008 6.164 -41.169 1.00 22.14 C ATOM 1285 OE1 GLN A 85 -14.811 5.301 -40.316 1.00 20.15 O ATOM 1286 NE2 GLN A 85 -16.063 6.961 -41.137 1.00 2.41 N ATOM 0 H GLN A 85 -14.762 4.514 -45.783 1.00 53.44 H new ATOM 0 HA GLN A 85 -13.564 6.942 -44.957 1.00 73.31 H new ATOM 0 HB2 GLN A 85 -15.450 5.761 -43.819 1.00 11.22 H new ATOM 0 HB3 GLN A 85 -14.339 4.499 -43.327 1.00 11.22 H new ATOM 0 HG2 GLN A 85 -13.037 6.092 -41.999 1.00 25.14 H new ATOM 0 HG3 GLN A 85 -14.012 7.427 -42.580 1.00 25.14 H new ATOM 0 HE21 GLN A 85 -16.192 7.666 -41.863 1.00 2.41 H new ATOM 0 HE22 GLN A 85 -16.747 6.871 -40.386 1.00 2.41 H new ATOM 1295 N GLY A 86 -11.803 4.168 -44.603 1.00 70.40 N ATOM 1296 CA GLY A 86 -10.465 3.651 -44.373 1.00 62.34 C ATOM 1297 C GLY A 86 -9.408 4.364 -45.198 1.00 13.43 C ATOM 1298 O GLY A 86 -8.387 4.803 -44.666 1.00 1.43 O ATOM 0 H GLY A 86 -12.493 3.458 -44.849 1.00 70.40 H new ATOM 0 HA2 GLY A 86 -10.220 3.748 -43.315 1.00 62.34 H new ATOM 0 HA3 GLY A 86 -10.446 2.587 -44.608 1.00 62.34 H new ATOM 1302 N VAL A 87 -9.653 4.484 -46.497 1.00 54.13 N ATOM 1303 CA VAL A 87 -8.702 5.123 -47.404 1.00 50.24 C ATOM 1304 C VAL A 87 -8.720 6.647 -47.247 1.00 54.40 C ATOM 1305 O VAL A 87 -7.691 7.309 -47.396 1.00 10.11 O ATOM 1306 CB VAL A 87 -8.978 4.743 -48.883 1.00 55.44 C ATOM 1307 CG1 VAL A 87 -8.970 3.225 -49.060 1.00 34.31 C ATOM 1308 CG2 VAL A 87 -10.296 5.341 -49.373 1.00 62.31 C ATOM 0 H VAL A 87 -10.503 4.147 -46.949 1.00 54.13 H new ATOM 0 HA VAL A 87 -7.712 4.755 -47.133 1.00 50.24 H new ATOM 0 HB VAL A 87 -8.178 5.164 -49.492 1.00 55.44 H new ATOM 0 HG11 VAL A 87 -9.165 2.979 -50.104 1.00 34.31 H new ATOM 0 HG12 VAL A 87 -7.996 2.830 -48.770 1.00 34.31 H new ATOM 0 HG13 VAL A 87 -9.743 2.781 -48.432 1.00 34.31 H new ATOM 0 HG21 VAL A 87 -10.460 5.057 -50.412 1.00 62.31 H new ATOM 0 HG22 VAL A 87 -11.116 4.966 -48.760 1.00 62.31 H new ATOM 0 HG23 VAL A 87 -10.253 6.427 -49.297 1.00 62.31 H new ATOM 1318 N ALA A 88 -9.889 7.206 -46.941 1.00 43.42 N ATOM 1319 CA ALA A 88 -10.034 8.654 -46.824 1.00 63.54 C ATOM 1320 C ALA A 88 -9.471 9.183 -45.504 1.00 61.41 C ATOM 1321 O ALA A 88 -9.155 10.371 -45.393 1.00 62.12 O ATOM 1322 CB ALA A 88 -11.498 9.049 -46.974 1.00 72.34 C ATOM 0 H ALA A 88 -10.746 6.680 -46.770 1.00 43.42 H new ATOM 0 HA ALA A 88 -9.455 9.108 -47.628 1.00 63.54 H new ATOM 0 HB1 ALA A 88 -11.594 10.131 -46.885 1.00 72.34 H new ATOM 0 HB2 ALA A 88 -11.862 8.732 -47.951 1.00 72.34 H new ATOM 0 HB3 ALA A 88 -12.087 8.567 -46.193 1.00 72.34 H new ATOM 1328 N THR A 89 -9.341 8.306 -44.510 1.00 71.10 N ATOM 1329 CA THR A 89 -8.889 8.715 -43.180 1.00 21.14 C ATOM 1330 C THR A 89 -7.360 8.709 -43.069 1.00 72.32 C ATOM 1331 O THR A 89 -6.810 9.024 -42.009 1.00 61.43 O ATOM 1332 CB THR A 89 -9.501 7.808 -42.077 1.00 10.23 C ATOM 1333 OG1 THR A 89 -9.309 8.398 -40.785 1.00 70.41 O ATOM 1334 CG2 THR A 89 -8.886 6.412 -42.087 1.00 23.35 C ATOM 0 H THR A 89 -9.542 7.310 -44.599 1.00 71.10 H new ATOM 0 HA THR A 89 -9.236 9.737 -43.031 1.00 21.14 H new ATOM 0 HB THR A 89 -10.566 7.716 -42.289 1.00 10.23 H new ATOM 0 HG1 THR A 89 -8.419 8.807 -40.741 1.00 70.41 H new ATOM 0 HG21 THR A 89 -9.340 5.809 -41.301 1.00 23.35 H new ATOM 0 HG22 THR A 89 -9.065 5.943 -43.054 1.00 23.35 H new ATOM 0 HG23 THR A 89 -7.813 6.486 -41.913 1.00 23.35 H new ATOM 1342 N MET A 90 -6.676 8.367 -44.159 1.00 23.21 N ATOM 1343 CA MET A 90 -5.210 8.310 -44.163 1.00 52.35 C ATOM 1344 C MET A 90 -4.623 9.341 -45.125 1.00 34.44 C ATOM 1345 O MET A 90 -5.343 10.197 -45.644 1.00 64.34 O ATOM 1346 CB MET A 90 -4.729 6.909 -44.555 1.00 2.44 C ATOM 1347 CG MET A 90 -5.087 6.510 -45.981 1.00 20.52 C ATOM 1348 SD MET A 90 -4.481 4.868 -46.405 1.00 33.02 S ATOM 1349 CE MET A 90 -5.229 3.903 -45.099 1.00 71.33 C ATOM 0 H MET A 90 -7.109 8.125 -45.050 1.00 23.21 H new ATOM 0 HA MET A 90 -4.866 8.539 -43.154 1.00 52.35 H new ATOM 0 HB2 MET A 90 -3.647 6.860 -44.435 1.00 2.44 H new ATOM 0 HB3 MET A 90 -5.159 6.182 -43.866 1.00 2.44 H new ATOM 0 HG2 MET A 90 -6.170 6.538 -46.102 1.00 20.52 H new ATOM 0 HG3 MET A 90 -4.670 7.239 -46.675 1.00 20.52 H new ATOM 0 HE1 MET A 90 -4.482 3.680 -44.337 1.00 71.33 H new ATOM 0 HE2 MET A 90 -6.046 4.469 -44.651 1.00 71.33 H new ATOM 0 HE3 MET A 90 -5.616 2.971 -45.511 1.00 71.33 H new ATOM 1359 N THR A 91 -3.310 9.258 -45.348 1.00 54.53 N ATOM 1360 CA THR A 91 -2.615 10.150 -46.272 1.00 60.53 C ATOM 1361 C THR A 91 -1.702 9.356 -47.220 1.00 4.54 C ATOM 1362 O THR A 91 -1.621 8.130 -47.133 1.00 62.15 O ATOM 1363 CB THR A 91 -1.796 11.216 -45.505 1.00 2.34 C ATOM 1364 OG1 THR A 91 -0.878 10.586 -44.598 1.00 75.53 O ATOM 1365 CG2 THR A 91 -2.716 12.153 -44.725 1.00 54.53 C ATOM 0 H THR A 91 -2.703 8.574 -44.895 1.00 54.53 H new ATOM 0 HA THR A 91 -3.370 10.662 -46.869 1.00 60.53 H new ATOM 0 HB THR A 91 -1.238 11.799 -46.238 1.00 2.34 H new ATOM 0 HG1 THR A 91 -1.377 10.047 -43.949 1.00 75.53 H new ATOM 0 HG21 THR A 91 -2.117 12.893 -44.195 1.00 54.53 H new ATOM 0 HG22 THR A 91 -3.390 12.660 -45.416 1.00 54.53 H new ATOM 0 HG23 THR A 91 -3.299 11.576 -44.007 1.00 54.53 H new ATOM 1373 N LEU A 92 -1.028 10.062 -48.132 1.00 74.01 N ATOM 1374 CA LEU A 92 -0.167 9.426 -49.138 1.00 25.41 C ATOM 1375 C LEU A 92 0.969 8.643 -48.465 1.00 32.24 C ATOM 1376 O LEU A 92 1.687 9.178 -47.606 1.00 31.23 O ATOM 1377 CB LEU A 92 0.397 10.498 -50.104 1.00 14.43 C ATOM 1378 CG LEU A 92 1.121 9.998 -51.380 1.00 74.12 C ATOM 1379 CD1 LEU A 92 2.513 9.444 -51.077 1.00 1.01 C ATOM 1380 CD2 LEU A 92 0.278 8.956 -52.103 1.00 24.41 C ATOM 0 H LEU A 92 -1.061 11.079 -48.196 1.00 74.01 H new ATOM 0 HA LEU A 92 -0.763 8.718 -49.713 1.00 25.41 H new ATOM 0 HB2 LEU A 92 -0.428 11.139 -50.414 1.00 14.43 H new ATOM 0 HB3 LEU A 92 1.093 11.123 -49.545 1.00 14.43 H new ATOM 0 HG LEU A 92 1.252 10.862 -52.032 1.00 74.12 H new ATOM 0 HD11 LEU A 92 2.980 9.106 -52.002 1.00 1.01 H new ATOM 0 HD12 LEU A 92 3.125 10.225 -50.626 1.00 1.01 H new ATOM 0 HD13 LEU A 92 2.428 8.605 -50.386 1.00 1.01 H new ATOM 0 HD21 LEU A 92 0.804 8.618 -52.996 1.00 24.41 H new ATOM 0 HD22 LEU A 92 0.103 8.107 -51.442 1.00 24.41 H new ATOM 0 HD23 LEU A 92 -0.677 9.396 -52.390 1.00 24.41 H new ATOM 1392 N GLY A 93 1.114 7.373 -48.866 1.00 34.21 N ATOM 1393 CA GLY A 93 2.190 6.524 -48.370 1.00 5.55 C ATOM 1394 C GLY A 93 1.872 5.909 -47.021 1.00 72.25 C ATOM 1395 O GLY A 93 2.727 5.264 -46.405 1.00 64.11 O ATOM 0 H GLY A 93 0.494 6.916 -49.535 1.00 34.21 H new ATOM 0 HA2 GLY A 93 2.383 5.730 -49.091 1.00 5.55 H new ATOM 0 HA3 GLY A 93 3.105 7.112 -48.291 1.00 5.55 H new ATOM 1399 N GLU A 94 0.636 6.093 -46.576 1.00 71.34 N ATOM 1400 CA GLU A 94 0.217 5.682 -45.242 1.00 13.03 C ATOM 1401 C GLU A 94 -0.594 4.386 -45.305 1.00 35.11 C ATOM 1402 O GLU A 94 -1.351 4.162 -46.253 1.00 11.33 O ATOM 1403 CB GLU A 94 -0.596 6.821 -44.610 1.00 33.44 C ATOM 1404 CG GLU A 94 -0.908 6.644 -43.130 1.00 42.11 C ATOM 1405 CD GLU A 94 -1.159 7.976 -42.444 1.00 1.35 C ATOM 1406 OE1 GLU A 94 -2.189 8.616 -42.735 1.00 1.51 O ATOM 1407 OE2 GLU A 94 -0.299 8.409 -41.645 1.00 22.02 O ATOM 0 H GLU A 94 -0.103 6.530 -47.127 1.00 71.34 H new ATOM 0 HA GLU A 94 1.092 5.482 -44.624 1.00 13.03 H new ATOM 0 HB2 GLU A 94 -0.049 7.754 -44.742 1.00 33.44 H new ATOM 0 HB3 GLU A 94 -1.535 6.923 -45.154 1.00 33.44 H new ATOM 0 HG2 GLU A 94 -1.784 6.006 -43.017 1.00 42.11 H new ATOM 0 HG3 GLU A 94 -0.077 6.134 -42.642 1.00 42.11 H new ATOM 1414 N LYS A 95 -0.415 3.530 -44.301 1.00 63.35 N ATOM 1415 CA LYS A 95 -1.152 2.277 -44.209 1.00 74.54 C ATOM 1416 C LYS A 95 -1.622 2.048 -42.779 1.00 2.34 C ATOM 1417 O LYS A 95 -0.903 2.347 -41.815 1.00 24.43 O ATOM 1418 CB LYS A 95 -0.297 1.082 -44.664 1.00 62.30 C ATOM 1419 CG LYS A 95 -1.078 -0.232 -44.670 1.00 64.33 C ATOM 1420 CD LYS A 95 -0.234 -1.425 -45.104 1.00 65.41 C ATOM 1421 CE LYS A 95 0.883 -1.727 -44.114 1.00 1.24 C ATOM 1422 NZ LYS A 95 1.469 -3.071 -44.347 1.00 21.52 N ATOM 0 H LYS A 95 0.240 3.686 -43.535 1.00 63.35 H new ATOM 0 HA LYS A 95 -2.013 2.354 -44.873 1.00 74.54 H new ATOM 0 HB2 LYS A 95 0.088 1.276 -45.665 1.00 62.30 H new ATOM 0 HB3 LYS A 95 0.565 0.985 -44.004 1.00 62.30 H new ATOM 0 HG2 LYS A 95 -1.473 -0.418 -43.671 1.00 64.33 H new ATOM 0 HG3 LYS A 95 -1.933 -0.137 -45.339 1.00 64.33 H new ATOM 0 HD2 LYS A 95 -0.873 -2.302 -45.208 1.00 65.41 H new ATOM 0 HD3 LYS A 95 0.196 -1.226 -46.086 1.00 65.41 H new ATOM 0 HE2 LYS A 95 1.662 -0.969 -44.201 1.00 1.24 H new ATOM 0 HE3 LYS A 95 0.495 -1.670 -43.097 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 2.340 -3.172 -43.787 1.00 21.52 H new ATOM 0 HZ2 LYS A 95 0.787 -3.802 -44.061 1.00 21.52 H new ATOM 0 HZ3 LYS A 95 1.692 -3.182 -45.357 1.00 21.52 H new ATOM 1436 N ALA A 96 -2.819 1.500 -42.646 1.00 20.50 N ATOM 1437 CA ALA A 96 -3.410 1.244 -41.344 1.00 55.24 C ATOM 1438 C ALA A 96 -4.092 -0.118 -41.315 1.00 22.35 C ATOM 1439 O ALA A 96 -4.557 -0.616 -42.344 1.00 52.31 O ATOM 1440 CB ALA A 96 -4.411 2.342 -40.993 1.00 14.21 C ATOM 0 H ALA A 96 -3.405 1.222 -43.433 1.00 20.50 H new ATOM 0 HA ALA A 96 -2.612 1.242 -40.602 1.00 55.24 H new ATOM 0 HB1 ALA A 96 -4.847 2.138 -40.015 1.00 14.21 H new ATOM 0 HB2 ALA A 96 -3.901 3.305 -40.970 1.00 14.21 H new ATOM 0 HB3 ALA A 96 -5.201 2.368 -41.744 1.00 14.21 H new ATOM 1446 N LEU A 97 -4.141 -0.704 -40.125 1.00 62.33 N ATOM 1447 CA LEU A 97 -4.878 -1.937 -39.880 1.00 4.54 C ATOM 1448 C LEU A 97 -6.291 -1.547 -39.456 1.00 23.15 C ATOM 1449 O LEU A 97 -6.503 -1.066 -38.340 1.00 2.53 O ATOM 1450 CB LEU A 97 -4.177 -2.745 -38.767 1.00 62.35 C ATOM 1451 CG LEU A 97 -4.758 -4.139 -38.469 1.00 23.42 C ATOM 1452 CD1 LEU A 97 -4.556 -5.081 -39.653 1.00 52.33 C ATOM 1453 CD2 LEU A 97 -4.132 -4.727 -37.203 1.00 12.41 C ATOM 0 H LEU A 97 -3.669 -0.336 -39.299 1.00 62.33 H new ATOM 0 HA LEU A 97 -4.914 -2.559 -40.774 1.00 4.54 H new ATOM 0 HB2 LEU A 97 -3.128 -2.862 -39.038 1.00 62.35 H new ATOM 0 HB3 LEU A 97 -4.205 -2.159 -37.849 1.00 62.35 H new ATOM 0 HG LEU A 97 -5.830 -4.027 -38.304 1.00 23.42 H new ATOM 0 HD11 LEU A 97 -4.976 -6.059 -39.416 1.00 52.33 H new ATOM 0 HD12 LEU A 97 -5.057 -4.674 -40.531 1.00 52.33 H new ATOM 0 HD13 LEU A 97 -3.491 -5.184 -39.859 1.00 52.33 H new ATOM 0 HD21 LEU A 97 -4.557 -5.712 -37.011 1.00 12.41 H new ATOM 0 HD22 LEU A 97 -3.054 -4.817 -37.338 1.00 12.41 H new ATOM 0 HD23 LEU A 97 -4.338 -4.072 -36.357 1.00 12.41 H new ATOM 1465 N PHE A 98 -7.243 -1.722 -40.367 1.00 33.43 N ATOM 1466 CA PHE A 98 -8.579 -1.155 -40.206 1.00 22.33 C ATOM 1467 C PHE A 98 -9.616 -2.252 -39.954 1.00 65.01 C ATOM 1468 O PHE A 98 -9.932 -3.045 -40.846 1.00 52.24 O ATOM 1469 CB PHE A 98 -8.938 -0.349 -41.466 1.00 14.23 C ATOM 1470 CG PHE A 98 -9.984 0.719 -41.251 1.00 54.22 C ATOM 1471 CD1 PHE A 98 -11.333 0.430 -41.371 1.00 1.45 C ATOM 1472 CD2 PHE A 98 -9.610 2.022 -40.944 1.00 54.43 C ATOM 1473 CE1 PHE A 98 -12.288 1.412 -41.185 1.00 61.40 C ATOM 1474 CE2 PHE A 98 -10.562 3.008 -40.760 1.00 53.50 C ATOM 1475 CZ PHE A 98 -11.902 2.702 -40.881 1.00 43.13 C ATOM 0 H PHE A 98 -7.114 -2.254 -41.228 1.00 33.43 H new ATOM 0 HA PHE A 98 -8.583 -0.496 -39.338 1.00 22.33 H new ATOM 0 HB2 PHE A 98 -8.033 0.120 -41.852 1.00 14.23 H new ATOM 0 HB3 PHE A 98 -9.292 -1.037 -42.233 1.00 14.23 H new ATOM 0 HD1 PHE A 98 -11.643 -0.576 -41.613 1.00 1.45 H new ATOM 0 HD2 PHE A 98 -8.563 2.268 -40.848 1.00 54.43 H new ATOM 0 HE1 PHE A 98 -13.336 1.170 -41.278 1.00 61.40 H new ATOM 0 HE2 PHE A 98 -10.257 4.016 -40.522 1.00 53.50 H new ATOM 0 HZ PHE A 98 -12.647 3.470 -40.738 1.00 43.13 H new ATOM 1485 N THR A 99 -10.125 -2.297 -38.728 1.00 0.52 N ATOM 1486 CA THR A 99 -11.163 -3.247 -38.349 1.00 41.40 C ATOM 1487 C THR A 99 -12.507 -2.851 -38.961 1.00 32.20 C ATOM 1488 O THR A 99 -13.070 -1.809 -38.621 1.00 23.33 O ATOM 1489 CB THR A 99 -11.302 -3.328 -36.809 1.00 71.14 C ATOM 1490 OG1 THR A 99 -10.031 -3.645 -36.223 1.00 32.31 O ATOM 1491 CG2 THR A 99 -12.335 -4.378 -36.395 1.00 45.34 C ATOM 0 H THR A 99 -9.831 -1.679 -37.972 1.00 0.52 H new ATOM 0 HA THR A 99 -10.871 -4.226 -38.730 1.00 41.40 H new ATOM 0 HB THR A 99 -11.643 -2.357 -36.450 1.00 71.14 H new ATOM 0 HG1 THR A 99 -9.490 -2.831 -36.155 1.00 32.31 H new ATOM 0 HG21 THR A 99 -12.407 -4.408 -35.308 1.00 45.34 H new ATOM 0 HG22 THR A 99 -13.306 -4.119 -36.816 1.00 45.34 H new ATOM 0 HG23 THR A 99 -12.028 -5.356 -36.766 1.00 45.34 H new ATOM 1499 N ILE A 100 -13.000 -3.671 -39.883 1.00 21.32 N ATOM 1500 CA ILE A 100 -14.298 -3.444 -40.509 1.00 55.40 C ATOM 1501 C ILE A 100 -15.380 -4.272 -39.809 1.00 14.24 C ATOM 1502 O ILE A 100 -15.366 -5.512 -39.878 1.00 1.33 O ATOM 1503 CB ILE A 100 -14.278 -3.805 -42.018 1.00 12.11 C ATOM 1504 CG1 ILE A 100 -13.302 -2.900 -42.787 1.00 60.11 C ATOM 1505 CG2 ILE A 100 -15.680 -3.708 -42.620 1.00 11.45 C ATOM 1506 CD1 ILE A 100 -13.722 -1.446 -42.833 1.00 2.12 C ATOM 0 H ILE A 100 -12.516 -4.505 -40.215 1.00 21.32 H new ATOM 0 HA ILE A 100 -14.522 -2.382 -40.410 1.00 55.40 H new ATOM 0 HB ILE A 100 -13.934 -4.835 -42.109 1.00 12.11 H new ATOM 0 HG12 ILE A 100 -12.317 -2.969 -42.325 1.00 60.11 H new ATOM 0 HG13 ILE A 100 -13.203 -3.272 -43.807 1.00 60.11 H new ATOM 0 HG21 ILE A 100 -15.640 -3.966 -43.678 1.00 11.45 H new ATOM 0 HG22 ILE A 100 -16.346 -4.399 -42.103 1.00 11.45 H new ATOM 0 HG23 ILE A 100 -16.054 -2.690 -42.508 1.00 11.45 H new ATOM 0 HD11 ILE A 100 -12.984 -0.871 -43.392 1.00 2.12 H new ATOM 0 HD12 ILE A 100 -14.693 -1.363 -43.322 1.00 2.12 H new ATOM 0 HD13 ILE A 100 -13.793 -1.055 -41.818 1.00 2.12 H new ATOM 1518 N PRO A 101 -16.316 -3.599 -39.103 1.00 5.44 N ATOM 1519 CA PRO A 101 -17.461 -4.265 -38.478 1.00 42.13 C ATOM 1520 C PRO A 101 -18.348 -4.941 -39.524 1.00 14.34 C ATOM 1521 O PRO A 101 -18.392 -4.522 -40.684 1.00 14.05 O ATOM 1522 CB PRO A 101 -18.212 -3.130 -37.762 1.00 51.24 C ATOM 1523 CG PRO A 101 -17.741 -1.879 -38.422 1.00 0.42 C ATOM 1524 CD PRO A 101 -16.321 -2.146 -38.846 1.00 24.24 C ATOM 0 HA PRO A 101 -17.158 -5.059 -37.796 1.00 42.13 H new ATOM 0 HB2 PRO A 101 -19.291 -3.247 -37.862 1.00 51.24 H new ATOM 0 HB3 PRO A 101 -17.989 -3.121 -36.695 1.00 51.24 H new ATOM 0 HG2 PRO A 101 -18.365 -1.632 -39.281 1.00 0.42 H new ATOM 0 HG3 PRO A 101 -17.792 -1.033 -37.737 1.00 0.42 H new ATOM 0 HD2 PRO A 101 -16.053 -1.578 -39.737 1.00 24.24 H new ATOM 0 HD3 PRO A 101 -15.609 -1.872 -38.067 1.00 24.24 H new ATOM 1532 N TYR A 102 -19.085 -5.955 -39.089 1.00 62.24 N ATOM 1533 CA TYR A 102 -19.812 -6.837 -39.999 1.00 42.32 C ATOM 1534 C TYR A 102 -20.736 -6.062 -40.944 1.00 55.45 C ATOM 1535 O TYR A 102 -20.786 -6.351 -42.137 1.00 63.25 O ATOM 1536 CB TYR A 102 -20.623 -7.868 -39.198 1.00 22.34 C ATOM 1537 CG TYR A 102 -21.826 -7.291 -38.457 1.00 74.23 C ATOM 1538 CD1 TYR A 102 -21.664 -6.439 -37.365 1.00 34.34 C ATOM 1539 CD2 TYR A 102 -23.124 -7.593 -38.858 1.00 52.43 C ATOM 1540 CE1 TYR A 102 -22.758 -5.914 -36.700 1.00 44.51 C ATOM 1541 CE2 TYR A 102 -24.221 -7.071 -38.197 1.00 11.43 C ATOM 1542 CZ TYR A 102 -24.033 -6.232 -37.121 1.00 3.53 C ATOM 1543 OH TYR A 102 -25.127 -5.714 -36.462 1.00 60.43 O ATOM 0 H TYR A 102 -19.197 -6.190 -38.103 1.00 62.24 H new ATOM 0 HA TYR A 102 -19.073 -7.349 -40.615 1.00 42.32 H new ATOM 0 HB2 TYR A 102 -20.970 -8.646 -39.878 1.00 22.34 H new ATOM 0 HB3 TYR A 102 -19.963 -8.348 -38.475 1.00 22.34 H new ATOM 0 HD1 TYR A 102 -20.668 -6.185 -37.033 1.00 34.34 H new ATOM 0 HD2 TYR A 102 -23.278 -8.248 -39.703 1.00 52.43 H new ATOM 0 HE1 TYR A 102 -22.614 -5.258 -35.854 1.00 44.51 H new ATOM 0 HE2 TYR A 102 -25.220 -7.320 -38.523 1.00 11.43 H new ATOM 0 HH TYR A 102 -25.948 -6.037 -36.888 1.00 60.43 H new ATOM 1553 N GLN A 103 -21.437 -5.058 -40.415 1.00 54.01 N ATOM 1554 CA GLN A 103 -22.475 -4.362 -41.183 1.00 73.14 C ATOM 1555 C GLN A 103 -21.874 -3.376 -42.186 1.00 73.11 C ATOM 1556 O GLN A 103 -22.592 -2.815 -43.016 1.00 64.20 O ATOM 1557 CB GLN A 103 -23.458 -3.646 -40.241 1.00 20.21 C ATOM 1558 CG GLN A 103 -22.876 -2.441 -39.509 1.00 52.32 C ATOM 1559 CD GLN A 103 -23.854 -1.839 -38.510 1.00 12.35 C ATOM 1560 OE1 GLN A 103 -24.657 -2.552 -37.901 1.00 44.32 O ATOM 1561 NE2 GLN A 103 -23.814 -0.525 -38.354 1.00 41.41 N ATOM 0 H GLN A 103 -21.308 -4.709 -39.465 1.00 54.01 H new ATOM 0 HA GLN A 103 -23.021 -5.115 -41.751 1.00 73.14 H new ATOM 0 HB2 GLN A 103 -24.322 -3.320 -40.820 1.00 20.21 H new ATOM 0 HB3 GLN A 103 -23.820 -4.362 -39.503 1.00 20.21 H new ATOM 0 HG2 GLN A 103 -21.967 -2.741 -38.987 1.00 52.32 H new ATOM 0 HG3 GLN A 103 -22.590 -1.681 -40.236 1.00 52.32 H new ATOM 0 HE21 GLN A 103 -23.135 0.030 -38.875 1.00 41.41 H new ATOM 0 HE22 GLN A 103 -24.462 -0.068 -37.712 1.00 41.41 H new ATOM 1570 N LEU A 104 -20.559 -3.169 -42.121 1.00 62.14 N ATOM 1571 CA LEU A 104 -19.878 -2.271 -43.057 1.00 32.30 C ATOM 1572 C LEU A 104 -19.141 -3.071 -44.127 1.00 63.52 C ATOM 1573 O LEU A 104 -18.296 -2.533 -44.842 1.00 31.32 O ATOM 1574 CB LEU A 104 -18.904 -1.338 -42.318 1.00 72.14 C ATOM 1575 CG LEU A 104 -19.561 -0.294 -41.400 1.00 20.21 C ATOM 1576 CD1 LEU A 104 -18.507 0.631 -40.793 1.00 1.30 C ATOM 1577 CD2 LEU A 104 -20.614 0.513 -42.160 1.00 71.42 C ATOM 0 H LEU A 104 -19.946 -3.608 -41.434 1.00 62.14 H new ATOM 0 HA LEU A 104 -20.635 -1.655 -43.543 1.00 32.30 H new ATOM 0 HB2 LEU A 104 -18.226 -1.948 -41.720 1.00 72.14 H new ATOM 0 HB3 LEU A 104 -18.296 -0.816 -43.057 1.00 72.14 H new ATOM 0 HG LEU A 104 -20.060 -0.823 -40.588 1.00 20.21 H new ATOM 0 HD11 LEU A 104 -18.993 1.362 -40.147 1.00 1.30 H new ATOM 0 HD12 LEU A 104 -17.800 0.043 -40.208 1.00 1.30 H new ATOM 0 HD13 LEU A 104 -17.975 1.149 -41.591 1.00 1.30 H new ATOM 0 HD21 LEU A 104 -21.065 1.245 -41.490 1.00 71.42 H new ATOM 0 HD22 LEU A 104 -20.143 1.029 -42.997 1.00 71.42 H new ATOM 0 HD23 LEU A 104 -21.386 -0.159 -42.536 1.00 71.42 H new ATOM 1589 N ALA A 105 -19.480 -4.353 -44.235 1.00 62.01 N ATOM 1590 CA ALA A 105 -18.881 -5.236 -45.230 1.00 15.02 C ATOM 1591 C ALA A 105 -19.841 -6.363 -45.595 1.00 14.10 C ATOM 1592 O ALA A 105 -20.915 -6.499 -45.004 1.00 75.53 O ATOM 1593 CB ALA A 105 -17.566 -5.809 -44.715 1.00 53.05 C ATOM 0 H ALA A 105 -20.173 -4.806 -43.639 1.00 62.01 H new ATOM 0 HA ALA A 105 -18.677 -4.650 -46.126 1.00 15.02 H new ATOM 0 HB1 ALA A 105 -17.134 -6.465 -45.471 1.00 53.05 H new ATOM 0 HB2 ALA A 105 -16.873 -4.995 -44.502 1.00 53.05 H new ATOM 0 HB3 ALA A 105 -17.749 -6.377 -43.803 1.00 53.05 H new ATOM 1599 N TYR A 106 -19.442 -7.173 -46.571 1.00 54.43 N ATOM 1600 CA TYR A 106 -20.235 -8.323 -47.000 1.00 22.33 C ATOM 1601 C TYR A 106 -20.311 -9.372 -45.887 1.00 52.22 C ATOM 1602 O TYR A 106 -21.158 -10.269 -45.921 1.00 2.43 O ATOM 1603 CB TYR A 106 -19.641 -8.941 -48.278 1.00 62.33 C ATOM 1604 CG TYR A 106 -18.192 -9.388 -48.139 1.00 72.41 C ATOM 1605 CD1 TYR A 106 -17.145 -8.494 -48.351 1.00 61.54 C ATOM 1606 CD2 TYR A 106 -17.870 -10.700 -47.797 1.00 15.41 C ATOM 1607 CE1 TYR A 106 -15.828 -8.895 -48.227 1.00 50.11 C ATOM 1608 CE2 TYR A 106 -16.554 -11.105 -47.671 1.00 43.13 C ATOM 1609 CZ TYR A 106 -15.539 -10.201 -47.888 1.00 60.03 C ATOM 1610 OH TYR A 106 -14.230 -10.603 -47.766 1.00 3.12 O ATOM 0 H TYR A 106 -18.568 -7.054 -47.084 1.00 54.43 H new ATOM 0 HA TYR A 106 -21.246 -7.978 -47.218 1.00 22.33 H new ATOM 0 HB2 TYR A 106 -20.248 -9.798 -48.570 1.00 62.33 H new ATOM 0 HB3 TYR A 106 -19.709 -8.213 -49.086 1.00 62.33 H new ATOM 0 HD1 TYR A 106 -17.366 -7.471 -48.617 1.00 61.54 H new ATOM 0 HD2 TYR A 106 -18.663 -11.413 -47.627 1.00 15.41 H new ATOM 0 HE1 TYR A 106 -15.028 -8.189 -48.395 1.00 50.11 H new ATOM 0 HE2 TYR A 106 -16.324 -12.126 -47.404 1.00 43.13 H new ATOM 0 HH TYR A 106 -14.201 -11.551 -47.521 1.00 3.12 H new ATOM 1620 N GLY A 107 -19.424 -9.241 -44.897 1.00 75.14 N ATOM 1621 CA GLY A 107 -19.388 -10.171 -43.777 1.00 10.44 C ATOM 1622 C GLY A 107 -20.674 -10.163 -42.969 1.00 30.53 C ATOM 1623 O GLY A 107 -20.925 -11.079 -42.187 1.00 60.22 O ATOM 0 H GLY A 107 -18.725 -8.500 -44.853 1.00 75.14 H new ATOM 0 HA2 GLY A 107 -19.205 -11.178 -44.152 1.00 10.44 H new ATOM 0 HA3 GLY A 107 -18.552 -9.917 -43.125 1.00 10.44 H new ATOM 1627 N GLU A 108 -21.486 -9.118 -43.151 1.00 42.23 N ATOM 1628 CA GLU A 108 -22.787 -9.030 -42.497 1.00 2.53 C ATOM 1629 C GLU A 108 -23.661 -10.202 -42.929 1.00 1.12 C ATOM 1630 O GLU A 108 -24.127 -10.987 -42.102 1.00 70.21 O ATOM 1631 CB GLU A 108 -23.465 -7.691 -42.861 1.00 42.32 C ATOM 1632 CG GLU A 108 -24.720 -7.350 -42.046 1.00 4.21 C ATOM 1633 CD GLU A 108 -25.947 -8.177 -42.419 1.00 31.05 C ATOM 1634 OE1 GLU A 108 -26.461 -8.012 -43.546 1.00 64.21 O ATOM 1635 OE2 GLU A 108 -26.409 -8.986 -41.591 1.00 42.51 O ATOM 0 H GLU A 108 -21.262 -8.322 -43.748 1.00 42.23 H new ATOM 0 HA GLU A 108 -22.652 -9.072 -41.416 1.00 2.53 H new ATOM 0 HB2 GLU A 108 -22.739 -6.888 -42.733 1.00 42.32 H new ATOM 0 HB3 GLU A 108 -23.732 -7.713 -43.917 1.00 42.32 H new ATOM 0 HG2 GLU A 108 -24.504 -7.496 -40.988 1.00 4.21 H new ATOM 0 HG3 GLU A 108 -24.952 -6.294 -42.181 1.00 4.21 H new ATOM 1642 N ARG A 109 -23.838 -10.337 -44.237 1.00 41.24 N ATOM 1643 CA ARG A 109 -24.784 -11.298 -44.792 1.00 2.14 C ATOM 1644 C ARG A 109 -24.102 -12.624 -45.122 1.00 64.15 C ATOM 1645 O ARG A 109 -24.721 -13.686 -45.043 1.00 50.12 O ATOM 1646 CB ARG A 109 -25.445 -10.704 -46.045 1.00 42.44 C ATOM 1647 CG ARG A 109 -26.699 -11.443 -46.497 1.00 24.32 C ATOM 1648 CD ARG A 109 -27.712 -11.580 -45.364 1.00 60.10 C ATOM 1649 NE ARG A 109 -27.927 -10.316 -44.651 1.00 12.51 N ATOM 1650 CZ ARG A 109 -29.119 -9.836 -44.301 1.00 71.52 C ATOM 1651 NH1 ARG A 109 -30.228 -10.476 -44.647 1.00 63.01 N ATOM 1652 NH2 ARG A 109 -29.195 -8.712 -43.606 1.00 72.20 N ATOM 0 H ARG A 109 -23.336 -9.790 -44.937 1.00 41.24 H new ATOM 0 HA ARG A 109 -25.549 -11.502 -44.043 1.00 2.14 H new ATOM 0 HB2 ARG A 109 -25.701 -9.663 -45.849 1.00 42.44 H new ATOM 0 HB3 ARG A 109 -24.721 -10.706 -46.860 1.00 42.44 H new ATOM 0 HG2 ARG A 109 -27.155 -10.909 -47.331 1.00 24.32 H new ATOM 0 HG3 ARG A 109 -26.426 -12.433 -46.863 1.00 24.32 H new ATOM 0 HD2 ARG A 109 -28.661 -11.932 -45.769 1.00 60.10 H new ATOM 0 HD3 ARG A 109 -27.366 -12.337 -44.660 1.00 60.10 H new ATOM 0 HE ARG A 109 -27.104 -9.765 -44.406 1.00 12.51 H new ATOM 0 HH11 ARG A 109 -30.171 -11.341 -45.184 1.00 63.01 H new ATOM 0 HH12 ARG A 109 -31.138 -10.103 -44.376 1.00 63.01 H new ATOM 0 HH21 ARG A 109 -28.343 -8.218 -43.341 1.00 72.20 H new ATOM 0 HH22 ARG A 109 -30.106 -8.340 -43.336 1.00 72.20 H new ATOM 1666 N GLY A 110 -22.827 -12.551 -45.492 1.00 51.44 N ATOM 1667 CA GLY A 110 -22.077 -13.743 -45.845 1.00 74.31 C ATOM 1668 C GLY A 110 -22.385 -14.227 -47.255 1.00 44.44 C ATOM 1669 O GLY A 110 -23.537 -14.184 -47.701 1.00 52.23 O ATOM 0 H GLY A 110 -22.297 -11.682 -45.554 1.00 51.44 H new ATOM 0 HA2 GLY A 110 -21.010 -13.536 -45.760 1.00 74.31 H new ATOM 0 HA3 GLY A 110 -22.305 -14.537 -45.134 1.00 74.31 H new ATOM 1673 N TYR A 111 -21.351 -14.680 -47.959 1.00 14.34 N ATOM 1674 CA TYR A 111 -21.497 -15.195 -49.324 1.00 51.25 C ATOM 1675 C TYR A 111 -20.659 -16.469 -49.516 1.00 15.01 C ATOM 1676 O TYR A 111 -21.198 -17.507 -49.911 1.00 51.22 O ATOM 1677 CB TYR A 111 -21.121 -14.129 -50.377 1.00 51.01 C ATOM 1678 CG TYR A 111 -22.069 -12.943 -50.433 1.00 1.55 C ATOM 1679 CD1 TYR A 111 -23.190 -12.968 -51.256 1.00 14.33 C ATOM 1680 CD2 TYR A 111 -21.845 -11.803 -49.666 1.00 62.24 C ATOM 1681 CE1 TYR A 111 -24.056 -11.895 -51.315 1.00 51.32 C ATOM 1682 CE2 TYR A 111 -22.709 -10.727 -49.721 1.00 42.35 C ATOM 1683 CZ TYR A 111 -23.812 -10.778 -50.547 1.00 75.40 C ATOM 1684 OH TYR A 111 -24.677 -9.709 -50.605 1.00 34.13 O ATOM 0 H TYR A 111 -20.394 -14.702 -47.606 1.00 14.34 H new ATOM 0 HA TYR A 111 -22.547 -15.446 -49.471 1.00 51.25 H new ATOM 0 HB2 TYR A 111 -20.115 -13.766 -50.166 1.00 51.01 H new ATOM 0 HB3 TYR A 111 -21.090 -14.601 -51.359 1.00 51.01 H new ATOM 0 HD1 TYR A 111 -23.386 -13.842 -51.859 1.00 14.33 H new ATOM 0 HD2 TYR A 111 -20.982 -11.759 -49.018 1.00 62.24 H new ATOM 0 HE1 TYR A 111 -24.921 -11.931 -51.960 1.00 51.32 H new ATOM 0 HE2 TYR A 111 -22.522 -9.850 -49.120 1.00 42.35 H new ATOM 0 HH TYR A 111 -24.364 -9.002 -50.003 1.00 34.13 H new ATOM 1694 N PRO A 112 -19.328 -16.428 -49.256 1.00 71.14 N ATOM 1695 CA PRO A 112 -18.490 -17.621 -49.335 1.00 74.05 C ATOM 1696 C PRO A 112 -18.462 -18.371 -47.999 1.00 44.53 C ATOM 1697 O PRO A 112 -18.403 -17.746 -46.943 1.00 35.22 O ATOM 1698 CB PRO A 112 -17.116 -17.033 -49.671 1.00 3.14 C ATOM 1699 CG PRO A 112 -17.091 -15.711 -48.973 1.00 55.31 C ATOM 1700 CD PRO A 112 -18.527 -15.237 -48.881 1.00 34.32 C ATOM 0 HA PRO A 112 -18.841 -18.353 -50.062 1.00 74.05 H new ATOM 0 HB2 PRO A 112 -16.312 -17.681 -49.322 1.00 3.14 H new ATOM 0 HB3 PRO A 112 -16.987 -16.916 -50.747 1.00 3.14 H new ATOM 0 HG2 PRO A 112 -16.651 -15.806 -47.980 1.00 55.31 H new ATOM 0 HG3 PRO A 112 -16.482 -14.994 -49.524 1.00 55.31 H new ATOM 0 HD2 PRO A 112 -18.770 -14.894 -47.875 1.00 34.32 H new ATOM 0 HD3 PRO A 112 -18.715 -14.402 -49.556 1.00 34.32 H new ATOM 1708 N PRO A 113 -18.507 -19.718 -48.024 1.00 75.52 N ATOM 1709 CA PRO A 113 -18.520 -20.542 -46.799 1.00 14.13 C ATOM 1710 C PRO A 113 -17.384 -20.201 -45.825 1.00 51.33 C ATOM 1711 O PRO A 113 -17.493 -20.440 -44.621 1.00 50.55 O ATOM 1712 CB PRO A 113 -18.365 -21.975 -47.336 1.00 71.32 C ATOM 1713 CG PRO A 113 -18.920 -21.918 -48.719 1.00 43.15 C ATOM 1714 CD PRO A 113 -18.568 -20.552 -49.246 1.00 14.23 C ATOM 0 HA PRO A 113 -19.428 -20.380 -46.218 1.00 14.13 H new ATOM 0 HB2 PRO A 113 -17.320 -22.286 -47.340 1.00 71.32 H new ATOM 0 HB3 PRO A 113 -18.909 -22.691 -46.719 1.00 71.32 H new ATOM 0 HG2 PRO A 113 -18.492 -22.701 -49.345 1.00 43.15 H new ATOM 0 HG3 PRO A 113 -19.999 -22.069 -48.714 1.00 43.15 H new ATOM 0 HD2 PRO A 113 -17.615 -20.559 -49.776 1.00 14.23 H new ATOM 0 HD3 PRO A 113 -19.319 -20.185 -49.946 1.00 14.23 H new ATOM 1722 N VAL A 114 -16.294 -19.647 -46.350 1.00 63.42 N ATOM 1723 CA VAL A 114 -15.151 -19.270 -45.521 1.00 23.21 C ATOM 1724 C VAL A 114 -15.454 -18.027 -44.679 1.00 74.31 C ATOM 1725 O VAL A 114 -14.877 -17.843 -43.605 1.00 2.15 O ATOM 1726 CB VAL A 114 -13.885 -19.022 -46.379 1.00 34.22 C ATOM 1727 CG1 VAL A 114 -13.446 -20.308 -47.080 1.00 33.32 C ATOM 1728 CG2 VAL A 114 -14.120 -17.903 -47.395 1.00 53.14 C ATOM 0 H VAL A 114 -16.178 -19.449 -47.344 1.00 63.42 H new ATOM 0 HA VAL A 114 -14.960 -20.108 -44.850 1.00 23.21 H new ATOM 0 HB VAL A 114 -13.083 -18.706 -45.712 1.00 34.22 H new ATOM 0 HG11 VAL A 114 -12.555 -20.111 -47.677 1.00 33.32 H new ATOM 0 HG12 VAL A 114 -13.222 -21.071 -46.334 1.00 33.32 H new ATOM 0 HG13 VAL A 114 -14.248 -20.660 -47.729 1.00 33.32 H new ATOM 0 HG21 VAL A 114 -13.215 -17.750 -47.984 1.00 53.14 H new ATOM 0 HG22 VAL A 114 -14.941 -18.179 -48.057 1.00 53.14 H new ATOM 0 HG23 VAL A 114 -14.371 -16.982 -46.870 1.00 53.14 H new ATOM 1738 N ILE A 115 -16.367 -17.185 -45.164 1.00 51.04 N ATOM 1739 CA ILE A 115 -16.761 -15.968 -44.458 1.00 15.41 C ATOM 1740 C ILE A 115 -18.217 -16.084 -43.998 1.00 5.40 C ATOM 1741 O ILE A 115 -19.142 -15.932 -44.802 1.00 35.31 O ATOM 1742 CB ILE A 115 -16.597 -14.701 -45.347 1.00 64.33 C ATOM 1743 CG1 ILE A 115 -15.132 -14.540 -45.802 1.00 53.33 C ATOM 1744 CG2 ILE A 115 -17.071 -13.452 -44.600 1.00 50.30 C ATOM 1745 CD1 ILE A 115 -14.148 -14.343 -44.664 1.00 54.20 C ATOM 0 H ILE A 115 -16.851 -17.327 -46.051 1.00 51.04 H new ATOM 0 HA ILE A 115 -16.103 -15.860 -43.596 1.00 15.41 H new ATOM 0 HB ILE A 115 -17.218 -14.825 -46.234 1.00 64.33 H new ATOM 0 HG12 ILE A 115 -14.841 -15.423 -46.371 1.00 53.33 H new ATOM 0 HG13 ILE A 115 -15.064 -13.688 -46.478 1.00 53.33 H new ATOM 0 HG21 ILE A 115 -16.948 -12.577 -45.239 1.00 50.30 H new ATOM 0 HG22 ILE A 115 -18.123 -13.563 -44.336 1.00 50.30 H new ATOM 0 HG23 ILE A 115 -16.480 -13.325 -43.693 1.00 50.30 H new ATOM 0 HD11 ILE A 115 -13.141 -14.238 -45.068 1.00 54.20 H new ATOM 0 HD12 ILE A 115 -14.411 -13.444 -44.107 1.00 54.20 H new ATOM 0 HD13 ILE A 115 -14.184 -15.206 -43.999 1.00 54.20 H new ATOM 1757 N PRO A 116 -18.436 -16.376 -42.702 1.00 1.54 N ATOM 1758 CA PRO A 116 -19.785 -16.545 -42.145 1.00 4.42 C ATOM 1759 C PRO A 116 -20.502 -15.203 -41.962 1.00 1.54 C ATOM 1760 O PRO A 116 -19.867 -14.148 -41.990 1.00 44.24 O ATOM 1761 CB PRO A 116 -19.511 -17.212 -40.789 1.00 0.11 C ATOM 1762 CG PRO A 116 -18.161 -16.717 -40.392 1.00 2.34 C ATOM 1763 CD PRO A 116 -17.385 -16.550 -41.674 1.00 73.41 C ATOM 0 HA PRO A 116 -20.440 -17.125 -42.795 1.00 4.42 H new ATOM 0 HB2 PRO A 116 -20.266 -16.938 -40.052 1.00 0.11 H new ATOM 0 HB3 PRO A 116 -19.526 -18.299 -40.872 1.00 0.11 H new ATOM 0 HG2 PRO A 116 -18.235 -15.771 -39.855 1.00 2.34 H new ATOM 0 HG3 PRO A 116 -17.667 -17.424 -39.726 1.00 2.34 H new ATOM 0 HD2 PRO A 116 -16.721 -15.687 -41.630 1.00 73.41 H new ATOM 0 HD3 PRO A 116 -16.763 -17.420 -41.881 1.00 73.41 H new ATOM 1771 N PRO A 117 -21.838 -15.222 -41.781 1.00 32.11 N ATOM 1772 CA PRO A 117 -22.613 -14.001 -41.534 1.00 23.42 C ATOM 1773 C PRO A 117 -22.257 -13.367 -40.186 1.00 61.41 C ATOM 1774 O PRO A 117 -21.895 -14.071 -39.235 1.00 22.34 O ATOM 1775 CB PRO A 117 -24.071 -14.486 -41.548 1.00 44.33 C ATOM 1776 CG PRO A 117 -23.993 -15.938 -41.218 1.00 52.33 C ATOM 1777 CD PRO A 117 -22.696 -16.424 -41.809 1.00 32.41 C ATOM 0 HA PRO A 117 -22.415 -13.227 -42.275 1.00 23.42 H new ATOM 0 HB2 PRO A 117 -24.674 -13.946 -40.818 1.00 44.33 H new ATOM 0 HB3 PRO A 117 -24.532 -14.326 -42.523 1.00 44.33 H new ATOM 0 HG2 PRO A 117 -24.015 -16.096 -40.140 1.00 52.33 H new ATOM 0 HG3 PRO A 117 -24.841 -16.480 -41.637 1.00 52.33 H new ATOM 0 HD2 PRO A 117 -22.267 -17.238 -41.224 1.00 32.41 H new ATOM 0 HD3 PRO A 117 -22.832 -16.798 -42.824 1.00 32.41 H new ATOM 1785 N LYS A 118 -22.356 -12.037 -40.127 1.00 12.23 N ATOM 1786 CA LYS A 118 -22.034 -11.259 -38.926 1.00 22.13 C ATOM 1787 C LYS A 118 -20.534 -11.309 -38.623 1.00 41.51 C ATOM 1788 O LYS A 118 -20.103 -11.005 -37.507 1.00 20.11 O ATOM 1789 CB LYS A 118 -22.844 -11.754 -37.717 1.00 64.12 C ATOM 1790 CG LYS A 118 -24.354 -11.585 -37.874 1.00 0.22 C ATOM 1791 CD LYS A 118 -25.111 -12.171 -36.684 1.00 12.22 C ATOM 1792 CE LYS A 118 -24.872 -13.670 -36.553 1.00 54.44 C ATOM 1793 NZ LYS A 118 -25.568 -14.248 -35.377 1.00 73.32 N ATOM 0 H LYS A 118 -22.663 -11.466 -40.914 1.00 12.23 H new ATOM 0 HA LYS A 118 -22.307 -10.222 -39.120 1.00 22.13 H new ATOM 0 HB2 LYS A 118 -22.621 -12.808 -37.550 1.00 64.12 H new ATOM 0 HB3 LYS A 118 -22.518 -11.214 -36.828 1.00 64.12 H new ATOM 0 HG2 LYS A 118 -24.594 -10.526 -37.973 1.00 0.22 H new ATOM 0 HG3 LYS A 118 -24.682 -12.074 -38.791 1.00 0.22 H new ATOM 0 HD2 LYS A 118 -24.796 -11.670 -35.769 1.00 12.22 H new ATOM 0 HD3 LYS A 118 -26.178 -11.980 -36.801 1.00 12.22 H new ATOM 0 HE2 LYS A 118 -25.215 -14.171 -37.458 1.00 54.44 H new ATOM 0 HE3 LYS A 118 -23.802 -13.860 -36.469 1.00 54.44 H new ATOM 0 HZ1 LYS A 118 -25.377 -15.269 -35.328 1.00 73.32 H new ATOM 0 HZ2 LYS A 118 -25.223 -13.789 -34.510 1.00 73.32 H new ATOM 0 HZ3 LYS A 118 -26.592 -14.091 -35.468 1.00 73.32 H new ATOM 1807 N ALA A 119 -19.745 -11.656 -39.633 1.00 25.12 N ATOM 1808 CA ALA A 119 -18.297 -11.755 -39.481 1.00 55.24 C ATOM 1809 C ALA A 119 -17.642 -10.377 -39.549 1.00 12.24 C ATOM 1810 O ALA A 119 -17.819 -9.641 -40.523 1.00 74.12 O ATOM 1811 CB ALA A 119 -17.707 -12.672 -40.549 1.00 71.50 C ATOM 0 H ALA A 119 -20.085 -11.874 -40.570 1.00 25.12 H new ATOM 0 HA ALA A 119 -18.092 -12.182 -38.499 1.00 55.24 H new ATOM 0 HB1 ALA A 119 -16.626 -12.733 -40.419 1.00 71.50 H new ATOM 0 HB2 ALA A 119 -18.141 -13.667 -40.454 1.00 71.50 H new ATOM 0 HB3 ALA A 119 -17.932 -12.271 -41.537 1.00 71.50 H new ATOM 1817 N THR A 120 -16.904 -10.034 -38.502 1.00 51.12 N ATOM 1818 CA THR A 120 -16.100 -8.819 -38.480 1.00 71.23 C ATOM 1819 C THR A 120 -14.731 -9.116 -39.092 1.00 20.24 C ATOM 1820 O THR A 120 -14.095 -10.113 -38.736 1.00 3.02 O ATOM 1821 CB THR A 120 -15.945 -8.301 -37.032 1.00 65.31 C ATOM 1822 OG1 THR A 120 -17.247 -8.130 -36.450 1.00 65.31 O ATOM 1823 CG2 THR A 120 -15.185 -6.979 -36.986 1.00 44.33 C ATOM 0 H THR A 120 -16.846 -10.587 -37.647 1.00 51.12 H new ATOM 0 HA THR A 120 -16.597 -8.044 -39.063 1.00 71.23 H new ATOM 0 HB THR A 120 -15.371 -9.035 -36.466 1.00 65.31 H new ATOM 0 HG1 THR A 120 -17.154 -7.803 -35.531 1.00 65.31 H new ATOM 0 HG21 THR A 120 -15.096 -6.646 -35.952 1.00 44.33 H new ATOM 0 HG22 THR A 120 -14.190 -7.116 -37.410 1.00 44.33 H new ATOM 0 HG23 THR A 120 -15.725 -6.229 -37.563 1.00 44.33 H new ATOM 1831 N LEU A 121 -14.275 -8.267 -40.008 1.00 2.41 N ATOM 1832 CA LEU A 121 -13.061 -8.559 -40.775 1.00 73.03 C ATOM 1833 C LEU A 121 -12.142 -7.340 -40.773 1.00 70.13 C ATOM 1834 O LEU A 121 -12.601 -6.213 -40.942 1.00 70.31 O ATOM 1835 CB LEU A 121 -13.442 -8.967 -42.216 1.00 5.25 C ATOM 1836 CG LEU A 121 -12.437 -9.873 -42.971 1.00 44.23 C ATOM 1837 CD1 LEU A 121 -11.129 -9.150 -43.284 1.00 63.11 C ATOM 1838 CD2 LEU A 121 -12.165 -11.153 -42.180 1.00 11.54 C ATOM 0 H LEU A 121 -14.720 -7.379 -40.238 1.00 2.41 H new ATOM 0 HA LEU A 121 -12.526 -9.389 -40.314 1.00 73.03 H new ATOM 0 HB2 LEU A 121 -14.403 -9.480 -42.182 1.00 5.25 H new ATOM 0 HB3 LEU A 121 -13.586 -8.058 -42.800 1.00 5.25 H new ATOM 0 HG LEU A 121 -12.897 -10.136 -43.924 1.00 44.23 H new ATOM 0 HD11 LEU A 121 -10.457 -9.826 -43.813 1.00 63.11 H new ATOM 0 HD12 LEU A 121 -11.334 -8.280 -43.908 1.00 63.11 H new ATOM 0 HD13 LEU A 121 -10.660 -8.827 -42.354 1.00 63.11 H new ATOM 0 HD21 LEU A 121 -11.457 -11.775 -42.727 1.00 11.54 H new ATOM 0 HD22 LEU A 121 -11.746 -10.897 -41.207 1.00 11.54 H new ATOM 0 HD23 LEU A 121 -13.097 -11.700 -42.041 1.00 11.54 H new ATOM 1850 N VAL A 122 -10.846 -7.564 -40.581 1.00 31.41 N ATOM 1851 CA VAL A 122 -9.883 -6.470 -40.502 1.00 43.23 C ATOM 1852 C VAL A 122 -9.082 -6.379 -41.796 1.00 70.11 C ATOM 1853 O VAL A 122 -8.414 -7.335 -42.193 1.00 44.44 O ATOM 1854 CB VAL A 122 -8.919 -6.652 -39.305 1.00 61.11 C ATOM 1855 CG1 VAL A 122 -7.953 -5.476 -39.198 1.00 50.24 C ATOM 1856 CG2 VAL A 122 -9.701 -6.827 -38.005 1.00 74.23 C ATOM 0 H VAL A 122 -10.438 -8.493 -40.477 1.00 31.41 H new ATOM 0 HA VAL A 122 -10.442 -5.546 -40.354 1.00 43.23 H new ATOM 0 HB VAL A 122 -8.333 -7.555 -39.478 1.00 61.11 H new ATOM 0 HG11 VAL A 122 -7.287 -5.629 -38.349 1.00 50.24 H new ATOM 0 HG12 VAL A 122 -7.365 -5.404 -40.113 1.00 50.24 H new ATOM 0 HG13 VAL A 122 -8.517 -4.554 -39.056 1.00 50.24 H new ATOM 0 HG21 VAL A 122 -9.005 -6.953 -37.176 1.00 74.23 H new ATOM 0 HG22 VAL A 122 -10.318 -5.945 -37.830 1.00 74.23 H new ATOM 0 HG23 VAL A 122 -10.339 -7.707 -38.080 1.00 74.23 H new ATOM 1866 N PHE A 123 -9.163 -5.233 -42.456 1.00 33.02 N ATOM 1867 CA PHE A 123 -8.463 -5.020 -43.715 1.00 14.15 C ATOM 1868 C PHE A 123 -7.312 -4.041 -43.524 1.00 24.01 C ATOM 1869 O PHE A 123 -7.503 -2.946 -42.987 1.00 14.25 O ATOM 1870 CB PHE A 123 -9.423 -4.471 -44.786 1.00 30.11 C ATOM 1871 CG PHE A 123 -10.494 -5.441 -45.227 1.00 10.14 C ATOM 1872 CD1 PHE A 123 -10.265 -6.316 -46.281 1.00 52.10 C ATOM 1873 CD2 PHE A 123 -11.730 -5.469 -44.599 1.00 51.11 C ATOM 1874 CE1 PHE A 123 -11.246 -7.198 -46.697 1.00 34.12 C ATOM 1875 CE2 PHE A 123 -12.716 -6.347 -45.012 1.00 23.22 C ATOM 1876 CZ PHE A 123 -12.473 -7.212 -46.062 1.00 24.21 C ATOM 0 H PHE A 123 -9.709 -4.432 -42.139 1.00 33.02 H new ATOM 0 HA PHE A 123 -8.070 -5.981 -44.047 1.00 14.15 H new ATOM 0 HB2 PHE A 123 -9.903 -3.572 -44.399 1.00 30.11 H new ATOM 0 HB3 PHE A 123 -8.841 -4.172 -45.658 1.00 30.11 H new ATOM 0 HD1 PHE A 123 -9.308 -6.308 -46.782 1.00 52.10 H new ATOM 0 HD2 PHE A 123 -11.925 -4.797 -43.777 1.00 51.11 H new ATOM 0 HE1 PHE A 123 -11.053 -7.874 -47.517 1.00 34.12 H new ATOM 0 HE2 PHE A 123 -13.675 -6.356 -44.514 1.00 23.22 H new ATOM 0 HZ PHE A 123 -13.241 -7.898 -46.386 1.00 24.21 H new ATOM 1886 N GLU A 124 -6.117 -4.438 -43.945 1.00 64.31 N ATOM 1887 CA GLU A 124 -5.013 -3.501 -44.045 1.00 51.31 C ATOM 1888 C GLU A 124 -5.233 -2.630 -45.268 1.00 24.30 C ATOM 1889 O GLU A 124 -5.250 -3.126 -46.397 1.00 64.22 O ATOM 1890 CB GLU A 124 -3.653 -4.214 -44.142 1.00 15.04 C ATOM 1891 CG GLU A 124 -3.096 -4.662 -42.800 1.00 23.21 C ATOM 1892 CD GLU A 124 -1.662 -5.152 -42.900 1.00 12.02 C ATOM 1893 OE1 GLU A 124 -0.789 -4.377 -43.354 1.00 21.31 O ATOM 1894 OE2 GLU A 124 -1.390 -6.312 -42.531 1.00 32.21 O ATOM 0 H GLU A 124 -5.892 -5.394 -44.220 1.00 64.31 H new ATOM 0 HA GLU A 124 -4.988 -2.895 -43.139 1.00 51.31 H new ATOM 0 HB2 GLU A 124 -3.755 -5.084 -44.791 1.00 15.04 H new ATOM 0 HB3 GLU A 124 -2.936 -3.545 -44.617 1.00 15.04 H new ATOM 0 HG2 GLU A 124 -3.145 -3.832 -42.095 1.00 23.21 H new ATOM 0 HG3 GLU A 124 -3.722 -5.459 -42.398 1.00 23.21 H new ATOM 1901 N VAL A 125 -5.454 -1.346 -45.025 1.00 22.33 N ATOM 1902 CA VAL A 125 -5.704 -0.380 -46.083 1.00 0.42 C ATOM 1903 C VAL A 125 -4.491 0.527 -46.257 1.00 41.00 C ATOM 1904 O VAL A 125 -3.919 0.995 -45.271 1.00 20.15 O ATOM 1905 CB VAL A 125 -6.969 0.469 -45.780 1.00 20.05 C ATOM 1906 CG1 VAL A 125 -8.232 -0.371 -45.951 1.00 34.15 C ATOM 1907 CG2 VAL A 125 -6.907 1.056 -44.367 1.00 11.44 C ATOM 0 H VAL A 125 -5.465 -0.945 -44.087 1.00 22.33 H new ATOM 0 HA VAL A 125 -5.880 -0.927 -47.009 1.00 0.42 H new ATOM 0 HB VAL A 125 -7.001 1.294 -46.492 1.00 20.05 H new ATOM 0 HG11 VAL A 125 -9.108 0.241 -45.734 1.00 34.15 H new ATOM 0 HG12 VAL A 125 -8.289 -0.737 -46.976 1.00 34.15 H new ATOM 0 HG13 VAL A 125 -8.202 -1.217 -45.265 1.00 34.15 H new ATOM 0 HG21 VAL A 125 -7.804 1.646 -44.179 1.00 11.44 H new ATOM 0 HG22 VAL A 125 -6.846 0.247 -43.639 1.00 11.44 H new ATOM 0 HG23 VAL A 125 -6.027 1.693 -44.276 1.00 11.44 H new ATOM 1917 N GLU A 126 -4.093 0.757 -47.504 1.00 43.13 N ATOM 1918 CA GLU A 126 -2.899 1.544 -47.803 1.00 63.02 C ATOM 1919 C GLU A 126 -3.146 2.475 -48.988 1.00 75.21 C ATOM 1920 O GLU A 126 -3.702 2.057 -50.006 1.00 73.13 O ATOM 1921 CB GLU A 126 -1.720 0.607 -48.103 1.00 51.44 C ATOM 1922 CG GLU A 126 -0.408 1.326 -48.407 1.00 43.20 C ATOM 1923 CD GLU A 126 0.770 0.368 -48.517 1.00 3.30 C ATOM 1924 OE1 GLU A 126 0.762 -0.489 -49.427 1.00 32.43 O ATOM 1925 OE2 GLU A 126 1.701 0.456 -47.686 1.00 33.31 O ATOM 0 H GLU A 126 -4.582 0.408 -48.328 1.00 43.13 H new ATOM 0 HA GLU A 126 -2.659 2.156 -46.933 1.00 63.02 H new ATOM 0 HB2 GLU A 126 -1.569 -0.053 -47.249 1.00 51.44 H new ATOM 0 HB3 GLU A 126 -1.980 -0.025 -48.952 1.00 51.44 H new ATOM 0 HG2 GLU A 126 -0.509 1.881 -49.340 1.00 43.20 H new ATOM 0 HG3 GLU A 126 -0.207 2.055 -47.622 1.00 43.20 H new ATOM 1932 N LEU A 127 -2.736 3.732 -48.840 1.00 44.31 N ATOM 1933 CA LEU A 127 -2.880 4.735 -49.892 1.00 71.21 C ATOM 1934 C LEU A 127 -1.552 4.871 -50.648 1.00 21.13 C ATOM 1935 O LEU A 127 -0.588 5.443 -50.130 1.00 72.31 O ATOM 1936 CB LEU A 127 -3.303 6.081 -49.260 1.00 2.35 C ATOM 1937 CG LEU A 127 -3.911 7.141 -50.205 1.00 62.44 C ATOM 1938 CD1 LEU A 127 -2.890 7.653 -51.211 1.00 31.13 C ATOM 1939 CD2 LEU A 127 -5.137 6.586 -50.923 1.00 41.12 C ATOM 0 H LEU A 127 -2.296 4.084 -47.990 1.00 44.31 H new ATOM 0 HA LEU A 127 -3.650 4.431 -50.601 1.00 71.21 H new ATOM 0 HB2 LEU A 127 -4.029 5.873 -48.474 1.00 2.35 H new ATOM 0 HB3 LEU A 127 -2.428 6.519 -48.779 1.00 2.35 H new ATOM 0 HG LEU A 127 -4.220 7.986 -49.589 1.00 62.44 H new ATOM 0 HD11 LEU A 127 -3.357 8.397 -51.857 1.00 31.13 H new ATOM 0 HD12 LEU A 127 -2.053 8.107 -50.681 1.00 31.13 H new ATOM 0 HD13 LEU A 127 -2.528 6.822 -51.817 1.00 31.13 H new ATOM 0 HD21 LEU A 127 -5.549 7.349 -51.583 1.00 41.12 H new ATOM 0 HD22 LEU A 127 -4.851 5.714 -51.511 1.00 41.12 H new ATOM 0 HD23 LEU A 127 -5.889 6.297 -50.189 1.00 41.12 H new ATOM 1951 N LEU A 128 -1.506 4.334 -51.868 1.00 14.43 N ATOM 1952 CA LEU A 128 -0.285 4.354 -52.680 1.00 30.41 C ATOM 1953 C LEU A 128 -0.165 5.656 -53.462 1.00 2.23 C ATOM 1954 O LEU A 128 0.921 6.229 -53.564 1.00 15.42 O ATOM 1955 CB LEU A 128 -0.250 3.159 -53.654 1.00 73.21 C ATOM 1956 CG LEU A 128 0.013 1.782 -53.019 1.00 25.15 C ATOM 1957 CD1 LEU A 128 1.344 1.773 -52.270 1.00 61.42 C ATOM 1958 CD2 LEU A 128 -1.131 1.380 -52.095 1.00 51.52 C ATOM 0 H LEU A 128 -2.301 3.879 -52.317 1.00 14.43 H new ATOM 0 HA LEU A 128 0.560 4.278 -51.996 1.00 30.41 H new ATOM 0 HB2 LEU A 128 -1.202 3.118 -54.183 1.00 73.21 H new ATOM 0 HB3 LEU A 128 0.521 3.346 -54.401 1.00 73.21 H new ATOM 0 HG LEU A 128 0.072 1.048 -53.822 1.00 25.15 H new ATOM 0 HD11 LEU A 128 1.507 0.789 -51.830 1.00 61.42 H new ATOM 0 HD12 LEU A 128 2.154 1.999 -52.964 1.00 61.42 H new ATOM 0 HD13 LEU A 128 1.322 2.524 -51.481 1.00 61.42 H new ATOM 0 HD21 LEU A 128 -0.921 0.403 -51.659 1.00 51.52 H new ATOM 0 HD22 LEU A 128 -1.233 2.118 -51.299 1.00 51.52 H new ATOM 0 HD23 LEU A 128 -2.059 1.331 -52.665 1.00 51.52 H new ATOM 1970 N ALA A 129 -1.278 6.118 -54.025 1.00 4.43 N ATOM 1971 CA ALA A 129 -1.274 7.352 -54.812 1.00 1.24 C ATOM 1972 C ALA A 129 -2.590 8.103 -54.665 1.00 55.22 C ATOM 1973 O ALA A 129 -3.660 7.494 -54.630 1.00 1.51 O ATOM 1974 CB ALA A 129 -0.992 7.050 -56.279 1.00 14.11 C ATOM 0 H ALA A 129 -2.188 5.663 -53.953 1.00 4.43 H new ATOM 0 HA ALA A 129 -0.478 7.991 -54.429 1.00 1.24 H new ATOM 0 HB1 ALA A 129 -0.993 7.979 -56.849 1.00 14.11 H new ATOM 0 HB2 ALA A 129 -0.018 6.569 -56.371 1.00 14.11 H new ATOM 0 HB3 ALA A 129 -1.763 6.385 -56.668 1.00 14.11 H new ATOM 1980 N VAL A 130 -2.501 9.426 -54.580 1.00 71.35 N ATOM 1981 CA VAL A 130 -3.671 10.287 -54.455 1.00 3.33 C ATOM 1982 C VAL A 130 -3.489 11.545 -55.315 1.00 10.44 C ATOM 1983 O VAL A 130 -4.297 11.753 -56.240 1.00 70.32 O ATOM 1984 CB VAL A 130 -3.958 10.668 -52.971 1.00 20.24 C ATOM 1985 CG1 VAL A 130 -2.731 11.286 -52.292 1.00 51.34 C ATOM 1986 CG2 VAL A 130 -5.165 11.601 -52.872 1.00 32.12 C ATOM 1987 OXT VAL A 130 -2.515 12.292 -55.092 1.00 0.00 O ATOM 0 H VAL A 130 -1.615 9.932 -54.596 1.00 71.35 H new ATOM 0 HA VAL A 130 -4.537 9.731 -54.814 1.00 3.33 H new ATOM 0 HB VAL A 130 -4.192 9.746 -52.439 1.00 20.24 H new ATOM 0 HG11 VAL A 130 -2.974 11.537 -51.260 1.00 51.34 H new ATOM 0 HG12 VAL A 130 -1.908 10.571 -52.308 1.00 51.34 H new ATOM 0 HG13 VAL A 130 -2.437 12.190 -52.825 1.00 51.34 H new ATOM 0 HG21 VAL A 130 -5.346 11.853 -51.827 1.00 32.12 H new ATOM 0 HG22 VAL A 130 -4.967 12.513 -53.436 1.00 32.12 H new ATOM 0 HG23 VAL A 130 -6.044 11.104 -53.282 1.00 32.12 H new