USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=24 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 62 SER OG : rot 51:sc= 0.0686 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 47 THR OG1 : rot 160:sc= -0.126 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.345 X(o=0.22,f=-0.19) USER MOD Single : A 25 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.69) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -139:sc= -1.86! USER MOD Single : A 39 LYS NZ :NH3+ 147:sc= 1.21 (180deg=0.749) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0129) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0744 (180deg=-0.389) USER MOD Single : A 49 HIS : no HE2:sc= -0.591 K(o=-0.053,f=-4.4!) USER MOD Single : A 50 TYR OH : rot 171:sc= 0.00557 USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= -0.0191 (180deg=-0.202) USER MOD Single : A 59 GLN : amide:sc= 0.129 K(o=0.13,f=-5.7!) USER MOD Single : A 63 SER OG : rot -19:sc= 0.186 USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0268) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -111:sc= 0.766 (180deg=-0.616) USER MOD Single : A 85 GLN : amide:sc= 0.2 X(o=0.2,f=-0.13) USER MOD Single : A 89 THR OG1 : rot -38:sc= 0.614 USER MOD Single : A 90 MET CE :methyl 172:sc= -3.7! (180deg=-4.14!) USER MOD Single : A 91 THR OG1 : rot -52:sc= 0.212 USER MOD Single : A 95 LYS NZ :NH3+ 176:sc= 0.957 (180deg=0.877) USER MOD Single : A 99 THR OG1 : rot 174:sc= -0.805 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=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 -17.937 -0.804 -33.561 1.00 52.11 N ATOM 346 CA GLN A 25 -16.526 -1.150 -33.391 1.00 33.31 C ATOM 347 C GLN A 25 -15.688 -0.302 -34.338 1.00 11.54 C ATOM 348 O GLN A 25 -16.050 -0.128 -35.503 1.00 33.33 O ATOM 349 CB GLN A 25 -16.277 -2.646 -33.667 1.00 24.32 C ATOM 350 CG GLN A 25 -16.841 -3.577 -32.597 1.00 62.34 C ATOM 351 CD GLN A 25 -16.230 -3.340 -31.222 1.00 50.24 C ATOM 352 OE1 GLN A 25 -15.074 -2.935 -31.100 1.00 54.31 O ATOM 353 NE2 GLN A 25 -17.007 -3.588 -30.175 1.00 0.52 N ATOM 0 HA GLN A 25 -16.241 -0.951 -32.358 1.00 33.31 H new ATOM 0 HB2 GLN A 25 -16.718 -2.906 -34.629 1.00 24.32 H new ATOM 0 HB3 GLN A 25 -15.204 -2.815 -33.752 1.00 24.32 H new ATOM 0 HG2 GLN A 25 -17.921 -3.441 -32.537 1.00 62.34 H new ATOM 0 HG3 GLN A 25 -16.666 -4.611 -32.893 1.00 62.34 H new ATOM 0 HE21 GLN A 25 -17.960 -3.923 -30.315 1.00 0.52 H new ATOM 0 HE22 GLN A 25 -16.651 -3.444 -29.230 1.00 0.52 H new ATOM 362 N LEU A 26 -14.588 0.246 -33.834 1.00 30.13 N ATOM 363 CA LEU A 26 -13.717 1.092 -34.640 1.00 12.14 C ATOM 364 C LEU A 26 -12.263 0.909 -34.214 1.00 51.43 C ATOM 365 O LEU A 26 -11.882 1.290 -33.107 1.00 61.15 O ATOM 366 CB LEU A 26 -14.148 2.571 -34.512 1.00 71.53 C ATOM 367 CG LEU A 26 -13.659 3.530 -35.621 1.00 4.02 C ATOM 368 CD1 LEU A 26 -12.150 3.760 -35.553 1.00 1.33 C ATOM 369 CD2 LEU A 26 -14.065 3.007 -36.998 1.00 14.44 C ATOM 0 H LEU A 26 -14.278 0.119 -32.870 1.00 30.13 H new ATOM 0 HA LEU A 26 -13.804 0.799 -35.686 1.00 12.14 H new ATOM 0 HB2 LEU A 26 -15.237 2.608 -34.485 1.00 71.53 H new ATOM 0 HB3 LEU A 26 -13.792 2.948 -33.553 1.00 71.53 H new ATOM 0 HG LEU A 26 -14.140 4.494 -35.456 1.00 4.02 H new ATOM 0 HD11 LEU A 26 -11.849 4.440 -36.350 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -11.891 4.196 -34.588 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -11.631 2.809 -35.672 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -13.713 3.695 -37.767 1.00 14.44 H new ATOM 0 HD22 LEU A 26 -13.622 2.024 -37.159 1.00 14.44 H new ATOM 0 HD23 LEU A 26 -15.151 2.928 -37.052 1.00 14.44 H new ATOM 381 N GLU A 27 -11.461 0.315 -35.089 1.00 2.20 N ATOM 382 CA GLU A 27 -10.024 0.207 -34.863 1.00 14.02 C ATOM 383 C GLU A 27 -9.265 0.683 -36.093 1.00 65.33 C ATOM 384 O GLU A 27 -9.279 0.024 -37.132 1.00 60.33 O ATOM 385 CB GLU A 27 -9.601 -1.231 -34.530 1.00 53.11 C ATOM 386 CG GLU A 27 -10.163 -1.766 -33.221 1.00 1.14 C ATOM 387 CD GLU A 27 -9.538 -3.097 -32.834 1.00 4.22 C ATOM 388 OE1 GLU A 27 -9.872 -4.123 -33.461 1.00 35.30 O ATOM 389 OE2 GLU A 27 -8.682 -3.116 -31.919 1.00 43.34 O ATOM 0 H GLU A 27 -11.782 -0.100 -35.964 1.00 2.20 H new ATOM 0 HA GLU A 27 -9.782 0.837 -34.007 1.00 14.02 H new ATOM 0 HB2 GLU A 27 -9.917 -1.887 -35.341 1.00 53.11 H new ATOM 0 HB3 GLU A 27 -8.513 -1.276 -34.489 1.00 53.11 H new ATOM 0 HG2 GLU A 27 -9.988 -1.039 -32.428 1.00 1.14 H new ATOM 0 HG3 GLU A 27 -11.243 -1.885 -33.312 1.00 1.14 H new ATOM 396 N LYS A 28 -8.635 1.847 -35.978 1.00 20.23 N ATOM 397 CA LYS A 28 -7.732 2.345 -37.008 1.00 1.42 C ATOM 398 C LYS A 28 -6.315 2.400 -36.445 1.00 24.22 C ATOM 399 O LYS A 28 -5.983 3.272 -35.643 1.00 43.22 O ATOM 400 CB LYS A 28 -8.186 3.725 -37.525 1.00 13.42 C ATOM 401 CG LYS A 28 -8.411 4.774 -36.434 1.00 53.12 C ATOM 402 CD LYS A 28 -8.819 6.123 -37.025 1.00 50.34 C ATOM 403 CE LYS A 28 -9.061 7.170 -35.943 1.00 71.00 C ATOM 404 NZ LYS A 28 -9.407 8.496 -36.525 1.00 31.34 N ATOM 0 H LYS A 28 -8.735 2.467 -35.175 1.00 20.23 H new ATOM 0 HA LYS A 28 -7.749 1.666 -37.861 1.00 1.42 H new ATOM 0 HB2 LYS A 28 -7.437 4.101 -38.223 1.00 13.42 H new ATOM 0 HB3 LYS A 28 -9.112 3.601 -38.087 1.00 13.42 H new ATOM 0 HG2 LYS A 28 -9.185 4.427 -35.749 1.00 53.12 H new ATOM 0 HG3 LYS A 28 -7.499 4.893 -35.850 1.00 53.12 H new ATOM 0 HD2 LYS A 28 -8.039 6.474 -37.701 1.00 50.34 H new ATOM 0 HD3 LYS A 28 -9.724 6.000 -37.619 1.00 50.34 H new ATOM 0 HE2 LYS A 28 -9.868 6.838 -35.290 1.00 71.00 H new ATOM 0 HE3 LYS A 28 -8.169 7.266 -35.324 1.00 71.00 H new ATOM 0 HZ1 LYS A 28 -9.564 9.181 -35.759 1.00 31.34 H new ATOM 0 HZ2 LYS A 28 -8.626 8.825 -37.128 1.00 31.34 H new ATOM 0 HZ3 LYS A 28 -10.273 8.410 -37.095 1.00 31.34 H new ATOM 418 N LYS A 29 -5.494 1.437 -36.842 1.00 10.31 N ATOM 419 CA LYS A 29 -4.140 1.303 -36.315 1.00 4.51 C ATOM 420 C LYS A 29 -3.124 1.691 -37.382 1.00 32.22 C ATOM 421 O LYS A 29 -2.961 0.981 -38.376 1.00 50.14 O ATOM 422 CB LYS A 29 -3.898 -0.145 -35.863 1.00 34.44 C ATOM 423 CG LYS A 29 -4.902 -0.642 -34.823 1.00 63.44 C ATOM 424 CD LYS A 29 -4.696 -2.121 -34.498 1.00 73.32 C ATOM 425 CE LYS A 29 -5.678 -2.611 -33.439 1.00 34.34 C ATOM 426 NZ LYS A 29 -5.510 -4.061 -33.153 1.00 5.41 N ATOM 0 H LYS A 29 -5.744 0.730 -37.534 1.00 10.31 H new ATOM 0 HA LYS A 29 -4.024 1.968 -35.459 1.00 4.51 H new ATOM 0 HB2 LYS A 29 -3.937 -0.799 -36.734 1.00 34.44 H new ATOM 0 HB3 LYS A 29 -2.892 -0.224 -35.450 1.00 34.44 H new ATOM 0 HG2 LYS A 29 -4.803 -0.052 -33.912 1.00 63.44 H new ATOM 0 HG3 LYS A 29 -5.916 -0.489 -35.194 1.00 63.44 H new ATOM 0 HD2 LYS A 29 -4.815 -2.713 -35.406 1.00 73.32 H new ATOM 0 HD3 LYS A 29 -3.676 -2.277 -34.148 1.00 73.32 H new ATOM 0 HE2 LYS A 29 -5.535 -2.041 -32.521 1.00 34.34 H new ATOM 0 HE3 LYS A 29 -6.698 -2.423 -33.775 1.00 34.34 H new ATOM 0 HZ1 LYS A 29 -6.196 -4.354 -32.428 1.00 5.41 H new ATOM 0 HZ2 LYS A 29 -5.671 -4.607 -34.023 1.00 5.41 H new ATOM 0 HZ3 LYS A 29 -4.545 -4.237 -32.807 1.00 5.41 H new ATOM 440 N VAL A 30 -2.451 2.817 -37.180 1.00 1.11 N ATOM 441 CA VAL A 30 -1.488 3.316 -38.155 1.00 62.04 C ATOM 442 C VAL A 30 -0.230 2.440 -38.174 1.00 61.23 C ATOM 443 O VAL A 30 0.535 2.391 -37.207 1.00 52.32 O ATOM 444 CB VAL A 30 -1.121 4.805 -37.893 1.00 12.12 C ATOM 445 CG1 VAL A 30 -0.561 5.006 -36.486 1.00 33.10 C ATOM 446 CG2 VAL A 30 -0.150 5.322 -38.955 1.00 70.43 C ATOM 0 H VAL A 30 -2.554 3.402 -36.351 1.00 1.11 H new ATOM 0 HA VAL A 30 -1.960 3.264 -39.136 1.00 62.04 H new ATOM 0 HB VAL A 30 -2.039 5.389 -37.963 1.00 12.12 H new ATOM 0 HG11 VAL A 30 -0.316 6.058 -36.339 1.00 33.10 H new ATOM 0 HG12 VAL A 30 -1.306 4.701 -35.751 1.00 33.10 H new ATOM 0 HG13 VAL A 30 0.339 4.403 -36.363 1.00 33.10 H new ATOM 0 HG21 VAL A 30 0.092 6.365 -38.750 1.00 70.43 H new ATOM 0 HG22 VAL A 30 0.763 4.727 -38.934 1.00 70.43 H new ATOM 0 HG23 VAL A 30 -0.612 5.243 -39.939 1.00 70.43 H new ATOM 456 N LEU A 31 -0.038 1.723 -39.278 1.00 3.31 N ATOM 457 CA LEU A 31 1.119 0.849 -39.432 1.00 51.44 C ATOM 458 C LEU A 31 2.319 1.706 -39.822 1.00 63.53 C ATOM 459 O LEU A 31 3.426 1.535 -39.307 1.00 71.22 O ATOM 460 CB LEU A 31 0.829 -0.230 -40.497 1.00 73.13 C ATOM 461 CG LEU A 31 1.654 -1.535 -40.404 1.00 33.10 C ATOM 462 CD1 LEU A 31 3.139 -1.293 -40.674 1.00 41.32 C ATOM 463 CD2 LEU A 31 1.451 -2.206 -39.043 1.00 61.33 C ATOM 0 H LEU A 31 -0.670 1.731 -40.079 1.00 3.31 H new ATOM 0 HA LEU A 31 1.336 0.334 -38.496 1.00 51.44 H new ATOM 0 HB2 LEU A 31 -0.228 -0.490 -40.439 1.00 73.13 H new ATOM 0 HB3 LEU A 31 0.996 0.209 -41.481 1.00 73.13 H new ATOM 0 HG LEU A 31 1.290 -2.207 -41.181 1.00 33.10 H new ATOM 0 HD11 LEU A 31 3.681 -2.236 -40.598 1.00 41.32 H new ATOM 0 HD12 LEU A 31 3.264 -0.882 -41.676 1.00 41.32 H new ATOM 0 HD13 LEU A 31 3.532 -0.589 -39.941 1.00 41.32 H new ATOM 0 HD21 LEU A 31 2.040 -3.122 -38.998 1.00 61.33 H new ATOM 0 HD22 LEU A 31 1.772 -1.529 -38.252 1.00 61.33 H new ATOM 0 HD23 LEU A 31 0.396 -2.446 -38.909 1.00 61.33 H new ATOM 475 N THR A 32 2.073 2.645 -40.725 1.00 73.42 N ATOM 476 CA THR A 32 3.080 3.604 -41.155 1.00 63.14 C ATOM 477 C THR A 32 2.394 4.913 -41.550 1.00 74.03 C ATOM 478 O THR A 32 1.536 4.916 -42.439 1.00 24.43 O ATOM 479 CB THR A 32 3.910 3.063 -42.348 1.00 71.24 C ATOM 480 OG1 THR A 32 4.561 1.836 -41.970 1.00 42.12 O ATOM 481 CG2 THR A 32 4.959 4.077 -42.806 1.00 61.24 C ATOM 0 H THR A 32 1.168 2.763 -41.181 1.00 73.42 H new ATOM 0 HA THR A 32 3.766 3.776 -40.325 1.00 63.14 H new ATOM 0 HB THR A 32 3.227 2.882 -43.178 1.00 71.24 H new ATOM 0 HG1 THR A 32 5.083 1.496 -42.727 1.00 42.12 H new ATOM 0 HG21 THR A 32 5.522 3.665 -43.643 1.00 61.24 H new ATOM 0 HG22 THR A 32 4.464 4.996 -43.119 1.00 61.24 H new ATOM 0 HG23 THR A 32 5.640 4.294 -41.983 1.00 61.24 H new ATOM 489 N PRO A 33 2.733 6.029 -40.872 1.00 53.10 N ATOM 490 CA PRO A 33 2.121 7.336 -41.142 1.00 31.44 C ATOM 491 C PRO A 33 2.636 7.960 -42.441 1.00 3.51 C ATOM 492 O PRO A 33 3.834 7.918 -42.731 1.00 22.31 O ATOM 493 CB PRO A 33 2.534 8.174 -39.927 1.00 1.05 C ATOM 494 CG PRO A 33 3.833 7.583 -39.493 1.00 71.12 C ATOM 495 CD PRO A 33 3.735 6.106 -39.787 1.00 42.35 C ATOM 0 HA PRO A 33 1.042 7.268 -41.277 1.00 31.44 H new ATOM 0 HB2 PRO A 33 2.644 9.226 -40.189 1.00 1.05 H new ATOM 0 HB3 PRO A 33 1.788 8.119 -39.134 1.00 1.05 H new ATOM 0 HG2 PRO A 33 4.666 8.034 -40.032 1.00 71.12 H new ATOM 0 HG3 PRO A 33 4.007 7.759 -38.431 1.00 71.12 H new ATOM 0 HD2 PRO A 33 4.695 5.696 -40.099 1.00 42.35 H new ATOM 0 HD3 PRO A 33 3.418 5.543 -38.909 1.00 42.35 H new ATOM 503 N GLY A 34 1.725 8.550 -43.207 1.00 1.22 N ATOM 504 CA GLY A 34 2.079 9.138 -44.490 1.00 71.12 C ATOM 505 C GLY A 34 2.487 10.590 -44.372 1.00 51.22 C ATOM 506 O GLY A 34 2.701 11.094 -43.264 1.00 33.52 O ATOM 0 H GLY A 34 0.739 8.633 -42.961 1.00 1.22 H new ATOM 0 HA2 GLY A 34 2.897 8.569 -44.933 1.00 71.12 H new ATOM 0 HA3 GLY A 34 1.230 9.057 -45.169 1.00 71.12 H new ATOM 510 N ASP A 35 2.580 11.267 -45.516 1.00 1.32 N ATOM 511 CA ASP A 35 3.016 12.667 -45.561 1.00 65.45 C ATOM 512 C ASP A 35 2.142 13.550 -44.678 1.00 14.34 C ATOM 513 O ASP A 35 2.639 14.411 -43.954 1.00 32.43 O ATOM 514 CB ASP A 35 2.973 13.219 -46.994 1.00 64.24 C ATOM 515 CG ASP A 35 3.931 12.528 -47.947 1.00 72.41 C ATOM 516 OD1 ASP A 35 5.112 12.347 -47.587 1.00 4.21 O ATOM 517 OD2 ASP A 35 3.515 12.198 -49.079 1.00 51.11 O ATOM 0 H ASP A 35 2.359 10.869 -46.429 1.00 1.32 H new ATOM 0 HA ASP A 35 4.042 12.685 -45.193 1.00 65.45 H new ATOM 0 HB2 ASP A 35 1.958 13.122 -47.380 1.00 64.24 H new ATOM 0 HB3 ASP A 35 3.204 14.284 -46.970 1.00 64.24 H new ATOM 522 N GLY A 36 0.832 13.346 -44.768 1.00 33.03 N ATOM 523 CA GLY A 36 -0.119 14.189 -44.057 1.00 42.44 C ATOM 524 C GLY A 36 -0.373 15.500 -44.781 1.00 51.13 C ATOM 525 O GLY A 36 -1.469 16.059 -44.706 1.00 23.41 O ATOM 0 H GLY A 36 0.406 12.605 -45.325 1.00 33.03 H new ATOM 0 HA2 GLY A 36 -1.060 13.653 -43.938 1.00 42.44 H new ATOM 0 HA3 GLY A 36 0.258 14.396 -43.056 1.00 42.44 H new ATOM 529 N VAL A 37 0.638 15.991 -45.498 1.00 62.44 N ATOM 530 CA VAL A 37 0.485 17.183 -46.331 1.00 70.24 C ATOM 531 C VAL A 37 -0.258 16.830 -47.615 1.00 51.32 C ATOM 532 O VAL A 37 -0.900 17.680 -48.228 1.00 73.24 O ATOM 533 CB VAL A 37 1.854 17.824 -46.681 1.00 11.24 C ATOM 534 CG1 VAL A 37 2.572 18.288 -45.415 1.00 11.54 C ATOM 535 CG2 VAL A 37 2.729 16.853 -47.474 1.00 52.31 C ATOM 0 H VAL A 37 1.572 15.581 -45.518 1.00 62.44 H new ATOM 0 HA VAL A 37 -0.089 17.911 -45.759 1.00 70.24 H new ATOM 0 HB VAL A 37 1.667 18.696 -47.308 1.00 11.24 H new ATOM 0 HG11 VAL A 37 3.530 18.734 -45.683 1.00 11.54 H new ATOM 0 HG12 VAL A 37 1.959 19.027 -44.899 1.00 11.54 H new ATOM 0 HG13 VAL A 37 2.740 17.434 -44.759 1.00 11.54 H new ATOM 0 HG21 VAL A 37 3.682 17.328 -47.706 1.00 52.31 H new ATOM 0 HG22 VAL A 37 2.906 15.955 -46.881 1.00 52.31 H new ATOM 0 HG23 VAL A 37 2.224 16.582 -48.401 1.00 52.31 H new ATOM 545 N THR A 38 -0.160 15.565 -48.006 1.00 10.01 N ATOM 546 CA THR A 38 -0.867 15.043 -49.166 1.00 12.05 C ATOM 547 C THR A 38 -2.149 14.337 -48.716 1.00 25.34 C ATOM 548 O THR A 38 -2.147 13.141 -48.409 1.00 54.22 O ATOM 549 CB THR A 38 0.037 14.071 -49.961 1.00 44.23 C ATOM 550 OG1 THR A 38 0.646 13.132 -49.062 1.00 15.11 O ATOM 551 CG2 THR A 38 1.125 14.830 -50.716 1.00 33.03 C ATOM 0 H THR A 38 0.414 14.872 -47.526 1.00 10.01 H new ATOM 0 HA THR A 38 -1.131 15.873 -49.822 1.00 12.05 H new ATOM 0 HB THR A 38 -0.583 13.542 -50.685 1.00 44.23 H new ATOM 0 HG1 THR A 38 1.581 12.990 -49.321 1.00 15.11 H new ATOM 0 HG21 THR A 38 1.746 14.124 -51.266 1.00 33.03 H new ATOM 0 HG22 THR A 38 0.664 15.528 -51.414 1.00 33.03 H new ATOM 0 HG23 THR A 38 1.743 15.381 -50.007 1.00 33.03 H new ATOM 559 N LYS A 39 -3.233 15.103 -48.637 1.00 43.31 N ATOM 560 CA LYS A 39 -4.505 14.606 -48.121 1.00 13.11 C ATOM 561 C LYS A 39 -5.422 14.153 -49.259 1.00 41.21 C ATOM 562 O LYS A 39 -5.357 14.691 -50.369 1.00 63.14 O ATOM 563 CB LYS A 39 -5.197 15.700 -47.291 1.00 22.03 C ATOM 564 CG LYS A 39 -4.381 16.171 -46.091 1.00 14.54 C ATOM 565 CD LYS A 39 -5.088 17.289 -45.326 1.00 41.50 C ATOM 566 CE LYS A 39 -4.241 17.816 -44.170 1.00 4.21 C ATOM 567 NZ LYS A 39 -2.928 18.339 -44.635 1.00 32.51 N ATOM 0 H LYS A 39 -3.255 16.081 -48.927 1.00 43.31 H new ATOM 0 HA LYS A 39 -4.302 13.744 -47.485 1.00 13.11 H new ATOM 0 HB2 LYS A 39 -5.405 16.554 -47.935 1.00 22.03 H new ATOM 0 HB3 LYS A 39 -6.158 15.324 -46.940 1.00 22.03 H new ATOM 0 HG2 LYS A 39 -4.201 15.330 -45.421 1.00 14.54 H new ATOM 0 HG3 LYS A 39 -3.406 16.523 -46.430 1.00 14.54 H new ATOM 0 HD2 LYS A 39 -5.318 18.107 -46.009 1.00 41.50 H new ATOM 0 HD3 LYS A 39 -6.038 16.920 -44.940 1.00 41.50 H new ATOM 0 HE2 LYS A 39 -4.784 18.607 -43.654 1.00 4.21 H new ATOM 0 HE3 LYS A 39 -4.078 17.017 -43.447 1.00 4.21 H new ATOM 0 HZ1 LYS A 39 -2.638 19.135 -44.032 1.00 32.51 H new ATOM 0 HZ2 LYS A 39 -2.214 17.584 -44.580 1.00 32.51 H new ATOM 0 HZ3 LYS A 39 -3.013 18.664 -45.619 1.00 32.51 H new ATOM 581 N PRO A 40 -6.286 13.152 -48.998 1.00 42.33 N ATOM 582 CA PRO A 40 -7.260 12.671 -49.980 1.00 34.02 C ATOM 583 C PRO A 40 -8.486 13.584 -50.051 1.00 15.53 C ATOM 584 O PRO A 40 -8.814 14.281 -49.082 1.00 20.24 O ATOM 585 CB PRO A 40 -7.635 11.291 -49.434 1.00 14.44 C ATOM 586 CG PRO A 40 -7.526 11.443 -47.955 1.00 71.04 C ATOM 587 CD PRO A 40 -6.386 12.407 -47.719 1.00 13.23 C ATOM 0 HA PRO A 40 -6.865 12.647 -50.996 1.00 34.02 H new ATOM 0 HB2 PRO A 40 -8.644 11.005 -49.732 1.00 14.44 H new ATOM 0 HB3 PRO A 40 -6.962 10.519 -49.806 1.00 14.44 H new ATOM 0 HG2 PRO A 40 -8.455 11.826 -47.532 1.00 71.04 H new ATOM 0 HG3 PRO A 40 -7.331 10.483 -47.477 1.00 71.04 H new ATOM 0 HD2 PRO A 40 -6.592 13.074 -46.882 1.00 13.23 H new ATOM 0 HD3 PRO A 40 -5.459 11.882 -47.488 1.00 13.23 H new ATOM 595 N GLN A 41 -9.156 13.580 -51.199 1.00 71.30 N ATOM 596 CA GLN A 41 -10.332 14.419 -51.416 1.00 74.23 C ATOM 597 C GLN A 41 -11.451 13.598 -52.052 1.00 54.51 C ATOM 598 O GLN A 41 -11.229 12.891 -53.039 1.00 73.51 O ATOM 599 CB GLN A 41 -9.967 15.617 -52.310 1.00 32.32 C ATOM 600 CG GLN A 41 -8.927 16.545 -51.689 1.00 20.14 C ATOM 601 CD GLN A 41 -8.456 17.633 -52.640 1.00 75.11 C ATOM 602 OE1 GLN A 41 -9.028 18.720 -52.696 1.00 42.13 O ATOM 603 NE2 GLN A 41 -7.404 17.348 -53.393 1.00 32.25 N ATOM 0 H GLN A 41 -8.903 13.001 -52.000 1.00 71.30 H new ATOM 0 HA GLN A 41 -10.682 14.796 -50.455 1.00 74.23 H new ATOM 0 HB2 GLN A 41 -9.589 15.247 -53.263 1.00 32.32 H new ATOM 0 HB3 GLN A 41 -10.870 16.188 -52.525 1.00 32.32 H new ATOM 0 HG2 GLN A 41 -9.348 17.008 -50.797 1.00 20.14 H new ATOM 0 HG3 GLN A 41 -8.069 15.955 -51.367 1.00 20.14 H new ATOM 0 HE21 GLN A 41 -6.956 16.435 -53.318 1.00 32.25 H new ATOM 0 HE22 GLN A 41 -7.042 18.042 -54.047 1.00 32.25 H new ATOM 612 N ALA A 42 -12.646 13.681 -51.472 1.00 32.14 N ATOM 613 CA ALA A 42 -13.801 12.941 -51.970 1.00 64.43 C ATOM 614 C ALA A 42 -14.197 13.439 -53.358 1.00 53.00 C ATOM 615 O ALA A 42 -14.471 14.628 -53.544 1.00 74.42 O ATOM 616 CB ALA A 42 -14.974 13.068 -51.002 1.00 22.33 C ATOM 0 H ALA A 42 -12.839 14.257 -50.652 1.00 32.14 H new ATOM 0 HA ALA A 42 -13.529 11.888 -52.046 1.00 64.43 H new ATOM 0 HB1 ALA A 42 -15.827 12.510 -51.389 1.00 22.33 H new ATOM 0 HB2 ALA A 42 -14.689 12.666 -50.030 1.00 22.33 H new ATOM 0 HB3 ALA A 42 -15.246 14.118 -50.895 1.00 22.33 H new ATOM 622 N GLY A 43 -14.219 12.527 -54.325 1.00 22.23 N ATOM 623 CA GLY A 43 -14.538 12.887 -55.698 1.00 40.21 C ATOM 624 C GLY A 43 -13.320 12.824 -56.601 1.00 65.14 C ATOM 625 O GLY A 43 -13.425 13.024 -57.814 1.00 43.04 O ATOM 0 H GLY A 43 -14.020 11.537 -54.182 1.00 22.23 H new ATOM 0 HA2 GLY A 43 -15.307 12.215 -56.079 1.00 40.21 H new ATOM 0 HA3 GLY A 43 -14.955 13.894 -55.721 1.00 40.21 H new ATOM 629 N LYS A 44 -12.162 12.555 -56.006 1.00 15.02 N ATOM 630 CA LYS A 44 -10.917 12.420 -56.759 1.00 4.12 C ATOM 631 C LYS A 44 -10.450 10.967 -56.778 1.00 2.42 C ATOM 632 O LYS A 44 -10.939 10.130 -56.014 1.00 21.32 O ATOM 633 CB LYS A 44 -9.817 13.314 -56.161 1.00 74.43 C ATOM 634 CG LYS A 44 -10.095 14.813 -56.260 1.00 13.21 C ATOM 635 CD LYS A 44 -10.322 15.272 -57.703 1.00 25.44 C ATOM 636 CE LYS A 44 -9.152 14.919 -58.623 1.00 74.31 C ATOM 637 NZ LYS A 44 -7.871 15.531 -58.179 1.00 24.40 N ATOM 0 H LYS A 44 -12.059 12.425 -55.000 1.00 15.02 H new ATOM 0 HA LYS A 44 -11.111 12.740 -57.783 1.00 4.12 H new ATOM 0 HB2 LYS A 44 -9.683 13.051 -55.112 1.00 74.43 H new ATOM 0 HB3 LYS A 44 -8.876 13.098 -56.667 1.00 74.43 H new ATOM 0 HG2 LYS A 44 -10.973 15.057 -55.662 1.00 13.21 H new ATOM 0 HG3 LYS A 44 -9.256 15.364 -55.834 1.00 13.21 H new ATOM 0 HD2 LYS A 44 -11.233 14.813 -58.087 1.00 25.44 H new ATOM 0 HD3 LYS A 44 -10.478 16.351 -57.717 1.00 25.44 H new ATOM 0 HE2 LYS A 44 -9.039 13.836 -58.661 1.00 74.31 H new ATOM 0 HE3 LYS A 44 -9.378 15.252 -59.636 1.00 74.31 H new ATOM 0 HZ1 LYS A 44 -7.118 15.289 -58.854 1.00 24.40 H new ATOM 0 HZ2 LYS A 44 -7.977 16.565 -58.135 1.00 24.40 H new ATOM 0 HZ3 LYS A 44 -7.621 15.168 -57.237 1.00 24.40 H new ATOM 651 N LYS A 45 -9.502 10.686 -57.667 1.00 31.54 N ATOM 652 CA LYS A 45 -8.906 9.359 -57.804 1.00 2.24 C ATOM 653 C LYS A 45 -8.079 8.996 -56.573 1.00 43.32 C ATOM 654 O LYS A 45 -7.524 9.872 -55.907 1.00 1.42 O ATOM 655 CB LYS A 45 -8.005 9.331 -59.053 1.00 23.45 C ATOM 656 CG LYS A 45 -7.217 8.031 -59.243 1.00 51.53 C ATOM 657 CD LYS A 45 -8.104 6.873 -59.695 1.00 61.23 C ATOM 658 CE LYS A 45 -8.699 7.123 -61.075 1.00 43.20 C ATOM 659 NZ LYS A 45 -7.648 7.408 -62.090 1.00 55.24 N ATOM 0 H LYS A 45 -9.123 11.375 -58.316 1.00 31.54 H new ATOM 0 HA LYS A 45 -9.710 8.630 -57.904 1.00 2.24 H new ATOM 0 HB2 LYS A 45 -8.624 9.497 -59.935 1.00 23.45 H new ATOM 0 HB3 LYS A 45 -7.302 10.162 -58.996 1.00 23.45 H new ATOM 0 HG2 LYS A 45 -6.430 8.191 -59.980 1.00 51.53 H new ATOM 0 HG3 LYS A 45 -6.728 7.766 -58.306 1.00 51.53 H new ATOM 0 HD2 LYS A 45 -7.520 5.953 -59.712 1.00 61.23 H new ATOM 0 HD3 LYS A 45 -8.908 6.727 -58.973 1.00 61.23 H new ATOM 0 HE2 LYS A 45 -9.276 6.252 -61.385 1.00 43.20 H new ATOM 0 HE3 LYS A 45 -9.392 7.963 -61.025 1.00 43.20 H new ATOM 0 HZ1 LYS A 45 -8.054 7.321 -63.044 1.00 55.24 H new ATOM 0 HZ2 LYS A 45 -7.287 8.374 -61.954 1.00 55.24 H new ATOM 0 HZ3 LYS A 45 -6.868 6.728 -61.982 1.00 55.24 H new ATOM 673 N VAL A 46 -8.028 7.702 -56.268 1.00 62.24 N ATOM 674 CA VAL A 46 -7.117 7.168 -55.266 1.00 12.10 C ATOM 675 C VAL A 46 -6.545 5.834 -55.748 1.00 64.05 C ATOM 676 O VAL A 46 -7.243 5.037 -56.393 1.00 45.11 O ATOM 677 CB VAL A 46 -7.798 6.972 -53.879 1.00 33.35 C ATOM 678 CG1 VAL A 46 -8.135 8.318 -53.235 1.00 13.43 C ATOM 679 CG2 VAL A 46 -9.051 6.107 -54.002 1.00 33.14 C ATOM 0 H VAL A 46 -8.618 6.997 -56.710 1.00 62.24 H new ATOM 0 HA VAL A 46 -6.319 7.899 -55.135 1.00 12.10 H new ATOM 0 HB VAL A 46 -7.089 6.455 -53.232 1.00 33.35 H new ATOM 0 HG11 VAL A 46 -8.609 8.150 -52.268 1.00 13.43 H new ATOM 0 HG12 VAL A 46 -7.220 8.894 -53.095 1.00 13.43 H new ATOM 0 HG13 VAL A 46 -8.816 8.871 -53.882 1.00 13.43 H new ATOM 0 HG21 VAL A 46 -9.507 5.986 -53.020 1.00 33.14 H new ATOM 0 HG22 VAL A 46 -9.761 6.588 -54.675 1.00 33.14 H new ATOM 0 HG23 VAL A 46 -8.780 5.129 -54.400 1.00 33.14 H new ATOM 689 N THR A 47 -5.266 5.619 -55.453 1.00 20.33 N ATOM 690 CA THR A 47 -4.566 4.381 -55.786 1.00 43.45 C ATOM 691 C THR A 47 -4.161 3.661 -54.498 1.00 3.34 C ATOM 692 O THR A 47 -3.253 4.111 -53.778 1.00 53.32 O ATOM 693 CB THR A 47 -3.307 4.667 -56.640 1.00 31.33 C ATOM 694 OG1 THR A 47 -3.674 5.428 -57.801 1.00 10.14 O ATOM 695 CG2 THR A 47 -2.621 3.375 -57.076 1.00 54.21 C ATOM 0 H THR A 47 -4.682 6.303 -54.973 1.00 20.33 H new ATOM 0 HA THR A 47 -5.238 3.750 -56.368 1.00 43.45 H new ATOM 0 HB THR A 47 -2.607 5.234 -56.027 1.00 31.33 H new ATOM 0 HG1 THR A 47 -2.881 5.877 -58.162 1.00 10.14 H new ATOM 0 HG21 THR A 47 -1.741 3.614 -57.674 1.00 54.21 H new ATOM 0 HG22 THR A 47 -2.319 2.809 -56.195 1.00 54.21 H new ATOM 0 HG23 THR A 47 -3.313 2.779 -57.671 1.00 54.21 H new ATOM 703 N VAL A 48 -4.840 2.552 -54.216 1.00 1.43 N ATOM 704 CA VAL A 48 -4.718 1.857 -52.937 1.00 41.03 C ATOM 705 C VAL A 48 -4.321 0.390 -53.110 1.00 2.14 C ATOM 706 O VAL A 48 -4.155 -0.102 -54.226 1.00 5.01 O ATOM 707 CB VAL A 48 -6.051 1.918 -52.149 1.00 25.31 C ATOM 708 CG1 VAL A 48 -6.439 3.361 -51.846 1.00 2.44 C ATOM 709 CG2 VAL A 48 -7.164 1.208 -52.917 1.00 31.14 C ATOM 0 H VAL A 48 -5.490 2.110 -54.867 1.00 1.43 H new ATOM 0 HA VAL A 48 -3.930 2.368 -52.384 1.00 41.03 H new ATOM 0 HB VAL A 48 -5.907 1.402 -51.200 1.00 25.31 H new ATOM 0 HG11 VAL A 48 -7.378 3.377 -51.292 1.00 2.44 H new ATOM 0 HG12 VAL A 48 -5.657 3.830 -51.248 1.00 2.44 H new ATOM 0 HG13 VAL A 48 -6.560 3.909 -52.780 1.00 2.44 H new ATOM 0 HG21 VAL A 48 -8.091 1.262 -52.347 1.00 31.14 H new ATOM 0 HG22 VAL A 48 -7.304 1.691 -53.884 1.00 31.14 H new ATOM 0 HG23 VAL A 48 -6.892 0.163 -53.069 1.00 31.14 H new ATOM 719 N HIS A 49 -4.159 -0.282 -51.979 1.00 0.12 N ATOM 720 CA HIS A 49 -3.862 -1.712 -51.917 1.00 21.40 C ATOM 721 C HIS A 49 -4.460 -2.272 -50.625 1.00 62.51 C ATOM 722 O HIS A 49 -4.543 -1.558 -49.626 1.00 12.42 O ATOM 723 CB HIS A 49 -2.338 -1.927 -51.979 1.00 65.53 C ATOM 724 CG HIS A 49 -1.874 -3.325 -51.682 1.00 3.22 C ATOM 725 ND1 HIS A 49 -0.801 -3.593 -50.861 1.00 4.14 N ATOM 726 CD2 HIS A 49 -2.326 -4.532 -52.104 1.00 44.34 C ATOM 727 CE1 HIS A 49 -0.616 -4.894 -50.785 1.00 71.41 C ATOM 728 NE2 HIS A 49 -1.529 -5.494 -51.528 1.00 60.41 N ATOM 0 H HIS A 49 -4.231 0.156 -51.061 1.00 0.12 H new ATOM 0 HA HIS A 49 -4.302 -2.238 -52.765 1.00 21.40 H new ATOM 0 HB2 HIS A 49 -1.989 -1.650 -52.974 1.00 65.53 H new ATOM 0 HB3 HIS A 49 -1.863 -1.246 -51.273 1.00 65.53 H new ATOM 0 HD1 HIS A 49 -0.236 -2.890 -50.384 1.00 4.14 H new ATOM 0 HD2 HIS A 49 -3.158 -4.706 -52.770 1.00 44.34 H new ATOM 0 HE1 HIS A 49 0.154 -5.389 -50.211 1.00 71.41 H new ATOM 737 N TYR A 50 -4.895 -3.529 -50.645 1.00 14.34 N ATOM 738 CA TYR A 50 -5.569 -4.123 -49.488 1.00 11.42 C ATOM 739 C TYR A 50 -4.899 -5.426 -49.063 1.00 70.24 C ATOM 740 O TYR A 50 -4.261 -6.106 -49.876 1.00 63.33 O ATOM 741 CB TYR A 50 -7.046 -4.416 -49.812 1.00 61.52 C ATOM 742 CG TYR A 50 -7.874 -3.202 -50.194 1.00 44.20 C ATOM 743 CD1 TYR A 50 -8.547 -2.461 -49.228 1.00 71.34 C ATOM 744 CD2 TYR A 50 -7.997 -2.807 -51.523 1.00 44.43 C ATOM 745 CE1 TYR A 50 -9.312 -1.362 -49.573 1.00 2.23 C ATOM 746 CE2 TYR A 50 -8.757 -1.708 -51.875 1.00 51.13 C ATOM 747 CZ TYR A 50 -9.414 -0.989 -50.898 1.00 62.13 C ATOM 748 OH TYR A 50 -10.175 0.106 -51.246 1.00 33.15 O ATOM 0 H TYR A 50 -4.795 -4.155 -51.444 1.00 14.34 H new ATOM 0 HA TYR A 50 -5.502 -3.402 -48.673 1.00 11.42 H new ATOM 0 HB2 TYR A 50 -7.087 -5.136 -50.629 1.00 61.52 H new ATOM 0 HB3 TYR A 50 -7.505 -4.891 -48.945 1.00 61.52 H new ATOM 0 HD1 TYR A 50 -8.471 -2.749 -48.190 1.00 71.34 H new ATOM 0 HD2 TYR A 50 -7.489 -3.369 -52.293 1.00 44.43 H new ATOM 0 HE1 TYR A 50 -9.827 -0.798 -48.809 1.00 2.23 H new ATOM 0 HE2 TYR A 50 -8.836 -1.413 -52.911 1.00 51.13 H new ATOM 0 HH TYR A 50 -10.027 0.320 -52.191 1.00 33.15 H new ATOM 758 N ASP A 51 -5.037 -5.749 -47.777 1.00 4.52 N ATOM 759 CA ASP A 51 -4.659 -7.061 -47.248 1.00 51.23 C ATOM 760 C ASP A 51 -5.760 -7.542 -46.297 1.00 52.23 C ATOM 761 O ASP A 51 -5.949 -6.978 -45.218 1.00 72.43 O ATOM 762 CB ASP A 51 -3.300 -6.969 -46.529 1.00 43.42 C ATOM 763 CG ASP A 51 -2.771 -8.319 -46.053 1.00 52.30 C ATOM 764 OD1 ASP A 51 -2.440 -9.174 -46.907 1.00 54.15 O ATOM 765 OD2 ASP A 51 -2.640 -8.517 -44.823 1.00 62.22 O ATOM 0 H ASP A 51 -5.412 -5.112 -47.074 1.00 4.52 H new ATOM 0 HA ASP A 51 -4.553 -7.779 -48.061 1.00 51.23 H new ATOM 0 HB2 ASP A 51 -2.571 -6.519 -47.203 1.00 43.42 H new ATOM 0 HB3 ASP A 51 -3.396 -6.302 -45.672 1.00 43.42 H new ATOM 770 N GLY A 52 -6.512 -8.562 -46.726 1.00 64.23 N ATOM 771 CA GLY A 52 -7.685 -9.012 -45.979 1.00 20.04 C ATOM 772 C GLY A 52 -7.332 -9.832 -44.754 1.00 41.33 C ATOM 773 O GLY A 52 -6.356 -10.578 -44.771 1.00 22.22 O ATOM 0 H GLY A 52 -6.328 -9.087 -47.581 1.00 64.23 H new ATOM 0 HA2 GLY A 52 -8.268 -8.144 -45.672 1.00 20.04 H new ATOM 0 HA3 GLY A 52 -8.320 -9.606 -46.636 1.00 20.04 H new ATOM 777 N ARG A 53 -8.145 -9.719 -43.698 1.00 44.32 N ATOM 778 CA ARG A 53 -7.843 -10.369 -42.426 1.00 1.42 C ATOM 779 C ARG A 53 -9.100 -10.508 -41.564 1.00 33.53 C ATOM 780 O ARG A 53 -10.021 -9.690 -41.646 1.00 63.13 O ATOM 781 CB ARG A 53 -6.782 -9.541 -41.690 1.00 71.31 C ATOM 782 CG ARG A 53 -6.081 -10.260 -40.539 1.00 52.10 C ATOM 783 CD ARG A 53 -4.890 -9.441 -40.050 1.00 42.02 C ATOM 784 NE ARG A 53 -4.110 -8.950 -41.185 1.00 21.24 N ATOM 785 CZ ARG A 53 -3.357 -7.854 -41.179 1.00 61.51 C ATOM 786 NH1 ARG A 53 -3.136 -7.182 -40.057 1.00 32.45 N ATOM 787 NH2 ARG A 53 -2.806 -7.442 -42.303 1.00 4.41 N ATOM 0 H ARG A 53 -9.014 -9.184 -43.702 1.00 44.32 H new ATOM 0 HA ARG A 53 -7.465 -11.373 -42.619 1.00 1.42 H new ATOM 0 HB2 ARG A 53 -6.029 -9.222 -42.410 1.00 71.31 H new ATOM 0 HB3 ARG A 53 -7.254 -8.639 -41.301 1.00 71.31 H new ATOM 0 HG2 ARG A 53 -6.782 -10.419 -39.720 1.00 52.10 H new ATOM 0 HG3 ARG A 53 -5.745 -11.244 -40.867 1.00 52.10 H new ATOM 0 HD2 ARG A 53 -5.240 -8.601 -39.450 1.00 42.02 H new ATOM 0 HD3 ARG A 53 -4.260 -10.053 -39.405 1.00 42.02 H new ATOM 0 HE ARG A 53 -4.146 -9.491 -42.049 1.00 21.24 H new ATOM 0 HH11 ARG A 53 -3.546 -7.504 -39.180 1.00 32.45 H new ATOM 0 HH12 ARG A 53 -2.556 -6.343 -40.071 1.00 32.45 H new ATOM 0 HH21 ARG A 53 -2.959 -7.963 -43.167 1.00 4.41 H new ATOM 0 HH22 ARG A 53 -2.227 -6.603 -42.309 1.00 4.41 H new ATOM 801 N PHE A 54 -9.145 -11.560 -40.753 1.00 54.13 N ATOM 802 CA PHE A 54 -10.230 -11.751 -39.793 1.00 71.03 C ATOM 803 C PHE A 54 -9.874 -11.103 -38.453 1.00 14.50 C ATOM 804 O PHE A 54 -8.694 -11.016 -38.098 1.00 62.12 O ATOM 805 CB PHE A 54 -10.519 -13.247 -39.598 1.00 75.12 C ATOM 806 CG PHE A 54 -11.197 -13.891 -40.779 1.00 4.21 C ATOM 807 CD1 PHE A 54 -12.579 -13.855 -40.899 1.00 43.03 C ATOM 808 CD2 PHE A 54 -10.458 -14.528 -41.766 1.00 10.32 C ATOM 809 CE1 PHE A 54 -13.212 -14.441 -41.978 1.00 64.24 C ATOM 810 CE2 PHE A 54 -11.087 -15.116 -42.848 1.00 10.31 C ATOM 811 CZ PHE A 54 -12.466 -15.072 -42.954 1.00 33.43 C ATOM 0 H PHE A 54 -8.440 -12.297 -40.741 1.00 54.13 H new ATOM 0 HA PHE A 54 -11.127 -11.273 -40.187 1.00 71.03 H new ATOM 0 HB2 PHE A 54 -9.581 -13.767 -39.401 1.00 75.12 H new ATOM 0 HB3 PHE A 54 -11.146 -13.375 -38.716 1.00 75.12 H new ATOM 0 HD1 PHE A 54 -13.167 -13.362 -40.139 1.00 43.03 H new ATOM 0 HD2 PHE A 54 -9.381 -14.565 -41.688 1.00 10.32 H new ATOM 0 HE1 PHE A 54 -14.288 -14.406 -42.058 1.00 64.24 H new ATOM 0 HE2 PHE A 54 -10.502 -15.609 -43.610 1.00 10.31 H new ATOM 0 HZ PHE A 54 -12.958 -15.531 -43.799 1.00 33.43 H new ATOM 821 N PRO A 55 -10.890 -10.650 -37.683 1.00 32.51 N ATOM 822 CA PRO A 55 -10.677 -10.038 -36.361 1.00 12.25 C ATOM 823 C PRO A 55 -10.060 -11.026 -35.370 1.00 74.21 C ATOM 824 O PRO A 55 -9.596 -10.642 -34.295 1.00 2.34 O ATOM 825 CB PRO A 55 -12.089 -9.620 -35.917 1.00 42.22 C ATOM 826 CG PRO A 55 -13.012 -10.477 -36.719 1.00 14.43 C ATOM 827 CD PRO A 55 -12.323 -10.701 -38.039 1.00 41.45 C ATOM 0 HA PRO A 55 -9.979 -9.202 -36.402 1.00 12.25 H new ATOM 0 HB2 PRO A 55 -12.231 -9.779 -34.848 1.00 42.22 H new ATOM 0 HB3 PRO A 55 -12.266 -8.562 -36.108 1.00 42.22 H new ATOM 0 HG2 PRO A 55 -13.205 -11.423 -36.213 1.00 14.43 H new ATOM 0 HG3 PRO A 55 -13.976 -9.988 -36.859 1.00 14.43 H new ATOM 0 HD2 PRO A 55 -12.595 -11.661 -38.478 1.00 41.45 H new ATOM 0 HD3 PRO A 55 -12.585 -9.932 -38.766 1.00 41.45 H new ATOM 835 N ASP A 56 -10.070 -12.303 -35.749 1.00 72.30 N ATOM 836 CA ASP A 56 -9.441 -13.367 -34.964 1.00 2.21 C ATOM 837 C ASP A 56 -7.926 -13.158 -34.902 1.00 31.10 C ATOM 838 O ASP A 56 -7.239 -13.734 -34.056 1.00 51.45 O ATOM 839 CB ASP A 56 -9.753 -14.739 -35.588 1.00 33.21 C ATOM 840 CG ASP A 56 -11.248 -14.987 -35.756 1.00 3.34 C ATOM 841 OD1 ASP A 56 -11.881 -14.284 -36.574 1.00 1.05 O ATOM 842 OD2 ASP A 56 -11.795 -15.899 -35.096 1.00 33.45 O ATOM 0 H ASP A 56 -10.513 -12.630 -36.607 1.00 72.30 H new ATOM 0 HA ASP A 56 -9.843 -13.335 -33.951 1.00 2.21 H new ATOM 0 HB2 ASP A 56 -9.266 -14.809 -36.561 1.00 33.21 H new ATOM 0 HB3 ASP A 56 -9.328 -15.523 -34.961 1.00 33.21 H new ATOM 847 N GLY A 57 -7.413 -12.330 -35.814 1.00 5.43 N ATOM 848 CA GLY A 57 -5.991 -12.026 -35.852 1.00 3.42 C ATOM 849 C GLY A 57 -5.234 -12.924 -36.812 1.00 52.54 C ATOM 850 O GLY A 57 -4.047 -13.194 -36.619 1.00 13.40 O ATOM 0 H GLY A 57 -7.964 -11.861 -36.533 1.00 5.43 H new ATOM 0 HA2 GLY A 57 -5.852 -10.986 -36.146 1.00 3.42 H new ATOM 0 HA3 GLY A 57 -5.572 -12.133 -34.851 1.00 3.42 H new ATOM 854 N LYS A 58 -5.923 -13.386 -37.852 1.00 22.23 N ATOM 855 CA LYS A 58 -5.329 -14.272 -38.850 1.00 64.14 C ATOM 856 C LYS A 58 -6.088 -14.140 -40.172 1.00 44.42 C ATOM 857 O LYS A 58 -7.218 -13.643 -40.193 1.00 32.12 O ATOM 858 CB LYS A 58 -5.354 -15.726 -38.344 1.00 2.04 C ATOM 859 CG LYS A 58 -4.686 -16.732 -39.282 1.00 64.13 C ATOM 860 CD LYS A 58 -4.646 -18.137 -38.685 1.00 2.12 C ATOM 861 CE LYS A 58 -3.751 -18.203 -37.451 1.00 51.22 C ATOM 862 NZ LYS A 58 -2.333 -17.892 -37.773 1.00 12.14 N ATOM 0 H LYS A 58 -6.902 -13.159 -38.027 1.00 22.23 H new ATOM 0 HA LYS A 58 -4.290 -13.988 -39.017 1.00 64.14 H new ATOM 0 HB2 LYS A 58 -4.860 -15.769 -37.373 1.00 2.04 H new ATOM 0 HB3 LYS A 58 -6.390 -16.026 -38.188 1.00 2.04 H new ATOM 0 HG2 LYS A 58 -5.225 -16.757 -40.229 1.00 64.13 H new ATOM 0 HG3 LYS A 58 -3.670 -16.403 -39.501 1.00 64.13 H new ATOM 0 HD2 LYS A 58 -5.656 -18.448 -38.418 1.00 2.12 H new ATOM 0 HD3 LYS A 58 -4.284 -18.840 -39.435 1.00 2.12 H new ATOM 0 HE2 LYS A 58 -4.115 -17.500 -36.701 1.00 51.22 H new ATOM 0 HE3 LYS A 58 -3.813 -19.198 -37.011 1.00 51.22 H new ATOM 0 HZ1 LYS A 58 -1.726 -18.174 -36.977 1.00 12.14 H new ATOM 0 HZ2 LYS A 58 -2.049 -18.413 -38.627 1.00 12.14 H new ATOM 0 HZ3 LYS A 58 -2.231 -16.871 -37.941 1.00 12.14 H new ATOM 876 N GLN A 59 -5.468 -14.570 -41.268 1.00 62.31 N ATOM 877 CA GLN A 59 -6.078 -14.466 -42.589 1.00 30.32 C ATOM 878 C GLN A 59 -5.744 -15.696 -43.432 1.00 0.55 C ATOM 879 O GLN A 59 -4.739 -16.372 -43.190 1.00 71.44 O ATOM 880 CB GLN A 59 -5.610 -13.180 -43.282 1.00 41.23 C ATOM 881 CG GLN A 59 -4.138 -13.176 -43.689 1.00 10.35 C ATOM 882 CD GLN A 59 -3.596 -11.769 -43.888 1.00 72.33 C ATOM 883 OE1 GLN A 59 -3.960 -10.847 -43.164 1.00 24.21 O ATOM 884 NE2 GLN A 59 -2.744 -11.585 -44.881 1.00 55.00 N ATOM 0 H GLN A 59 -4.541 -14.995 -41.266 1.00 62.31 H new ATOM 0 HA GLN A 59 -7.161 -14.422 -42.476 1.00 30.32 H new ATOM 0 HB2 GLN A 59 -6.220 -13.020 -44.171 1.00 41.23 H new ATOM 0 HB3 GLN A 59 -5.791 -12.337 -42.615 1.00 41.23 H new ATOM 0 HG2 GLN A 59 -3.551 -13.684 -42.924 1.00 10.35 H new ATOM 0 HG3 GLN A 59 -4.017 -13.743 -44.612 1.00 10.35 H new ATOM 0 HE21 GLN A 59 -2.462 -12.373 -45.464 1.00 55.00 H new ATOM 0 HE22 GLN A 59 -2.368 -10.655 -45.065 1.00 55.00 H new ATOM 893 N PHE A 60 -6.595 -15.978 -44.416 1.00 4.41 N ATOM 894 CA PHE A 60 -6.461 -17.180 -45.247 1.00 50.42 C ATOM 895 C PHE A 60 -5.600 -16.913 -46.483 1.00 13.13 C ATOM 896 O PHE A 60 -5.099 -17.852 -47.109 1.00 51.22 O ATOM 897 CB PHE A 60 -7.851 -17.690 -45.675 1.00 41.42 C ATOM 898 CG PHE A 60 -8.645 -16.701 -46.502 1.00 61.13 C ATOM 899 CD1 PHE A 60 -9.361 -15.679 -45.891 1.00 40.54 C ATOM 900 CD2 PHE A 60 -8.675 -16.795 -47.888 1.00 12.31 C ATOM 901 CE1 PHE A 60 -10.087 -14.775 -46.645 1.00 73.53 C ATOM 902 CE2 PHE A 60 -9.399 -15.893 -48.644 1.00 10.14 C ATOM 903 CZ PHE A 60 -10.105 -14.882 -48.022 1.00 13.11 C ATOM 0 H PHE A 60 -7.391 -15.389 -44.661 1.00 4.41 H new ATOM 0 HA PHE A 60 -5.965 -17.944 -44.648 1.00 50.42 H new ATOM 0 HB2 PHE A 60 -7.728 -18.610 -46.247 1.00 41.42 H new ATOM 0 HB3 PHE A 60 -8.424 -17.944 -44.783 1.00 41.42 H new ATOM 0 HD1 PHE A 60 -9.351 -15.589 -44.815 1.00 40.54 H new ATOM 0 HD2 PHE A 60 -8.125 -17.583 -48.381 1.00 12.31 H new ATOM 0 HE1 PHE A 60 -10.640 -13.986 -46.157 1.00 73.53 H new ATOM 0 HE2 PHE A 60 -9.413 -15.979 -49.721 1.00 10.14 H new ATOM 0 HZ PHE A 60 -10.671 -14.176 -48.612 1.00 13.11 H new ATOM 913 N ASP A 61 -5.436 -15.640 -46.832 1.00 72.13 N ATOM 914 CA ASP A 61 -4.673 -15.249 -48.019 1.00 21.25 C ATOM 915 C ASP A 61 -3.786 -14.055 -47.698 1.00 45.30 C ATOM 916 O ASP A 61 -4.158 -13.203 -46.892 1.00 20.32 O ATOM 917 CB ASP A 61 -5.621 -14.902 -49.180 1.00 71.44 C ATOM 918 CG ASP A 61 -4.881 -14.460 -50.438 1.00 31.53 C ATOM 919 OD1 ASP A 61 -4.304 -15.331 -51.125 1.00 42.41 O ATOM 920 OD2 ASP A 61 -4.871 -13.244 -50.743 1.00 45.10 O ATOM 0 H ASP A 61 -5.823 -14.855 -46.307 1.00 72.13 H new ATOM 0 HA ASP A 61 -4.047 -16.089 -48.321 1.00 21.25 H new ATOM 0 HB2 ASP A 61 -6.236 -15.771 -49.413 1.00 71.44 H new ATOM 0 HB3 ASP A 61 -6.298 -14.108 -48.865 1.00 71.44 H new ATOM 925 N SER A 62 -2.609 -14.003 -48.310 1.00 2.52 N ATOM 926 CA SER A 62 -1.699 -12.883 -48.122 1.00 22.13 C ATOM 927 C SER A 62 -1.764 -11.943 -49.326 1.00 22.13 C ATOM 928 O SER A 62 -0.968 -12.044 -50.266 1.00 25.20 O ATOM 929 CB SER A 62 -0.269 -13.390 -47.880 1.00 73.41 C ATOM 930 OG SER A 62 0.103 -14.381 -48.829 1.00 51.41 O ATOM 0 H SER A 62 -2.263 -14.725 -48.942 1.00 2.52 H new ATOM 0 HA SER A 62 -2.004 -12.320 -47.240 1.00 22.13 H new ATOM 0 HB2 SER A 62 0.428 -12.554 -47.934 1.00 73.41 H new ATOM 0 HB3 SER A 62 -0.194 -13.803 -46.874 1.00 73.41 H new ATOM 0 HG SER A 62 -0.086 -14.055 -49.734 1.00 51.41 H new ATOM 936 N SER A 63 -2.723 -11.024 -49.288 1.00 2.54 N ATOM 937 CA SER A 63 -2.940 -10.087 -50.383 1.00 61.15 C ATOM 938 C SER A 63 -1.764 -9.113 -50.490 1.00 30.33 C ATOM 939 O SER A 63 -1.532 -8.494 -51.536 1.00 20.53 O ATOM 940 CB SER A 63 -4.254 -9.339 -50.159 1.00 5.12 C ATOM 941 OG SER A 63 -5.318 -10.253 -49.927 1.00 11.23 O ATOM 0 H SER A 63 -3.366 -10.908 -48.505 1.00 2.54 H new ATOM 0 HA SER A 63 -3.005 -10.635 -51.323 1.00 61.15 H new ATOM 0 HB2 SER A 63 -4.154 -8.665 -49.308 1.00 5.12 H new ATOM 0 HB3 SER A 63 -4.480 -8.722 -51.029 1.00 5.12 H new ATOM 0 HG SER A 63 -5.064 -11.141 -50.255 1.00 11.23 H new ATOM 947 N ARG A 64 -1.024 -8.990 -49.393 1.00 62.05 N ATOM 948 CA ARG A 64 0.194 -8.192 -49.359 1.00 51.31 C ATOM 949 C ARG A 64 1.243 -8.763 -50.317 1.00 11.31 C ATOM 950 O ARG A 64 1.857 -8.025 -51.085 1.00 41.21 O ATOM 951 CB ARG A 64 0.745 -8.139 -47.926 1.00 11.31 C ATOM 952 CG ARG A 64 1.039 -9.513 -47.319 1.00 31.34 C ATOM 953 CD ARG A 64 1.400 -9.406 -45.846 1.00 61.25 C ATOM 954 NE ARG A 64 0.340 -8.740 -45.089 1.00 63.21 N ATOM 955 CZ ARG A 64 0.543 -7.812 -44.157 1.00 44.35 C ATOM 956 NH1 ARG A 64 1.776 -7.495 -43.774 1.00 70.45 N ATOM 957 NH2 ARG A 64 -0.495 -7.218 -43.596 1.00 74.42 N ATOM 0 H ARG A 64 -1.252 -9.439 -48.506 1.00 62.05 H new ATOM 0 HA ARG A 64 -0.043 -7.179 -49.683 1.00 51.31 H new ATOM 0 HB2 ARG A 64 1.661 -7.548 -47.922 1.00 11.31 H new ATOM 0 HB3 ARG A 64 0.028 -7.619 -47.291 1.00 11.31 H new ATOM 0 HG2 ARG A 64 0.167 -10.157 -47.435 1.00 31.34 H new ATOM 0 HG3 ARG A 64 1.858 -9.984 -47.862 1.00 31.34 H new ATOM 0 HD2 ARG A 64 1.572 -10.402 -45.438 1.00 61.25 H new ATOM 0 HD3 ARG A 64 2.332 -8.852 -45.737 1.00 61.25 H new ATOM 0 HE ARG A 64 -0.624 -9.006 -45.290 1.00 63.21 H new ATOM 0 HH11 ARG A 64 2.577 -7.965 -44.195 1.00 70.45 H new ATOM 0 HH12 ARG A 64 1.920 -6.782 -43.059 1.00 70.45 H new ATOM 0 HH21 ARG A 64 -1.442 -7.472 -43.878 1.00 74.42 H new ATOM 0 HH22 ARG A 64 -0.350 -6.505 -42.881 1.00 74.42 H new ATOM 971 N SER A 65 1.403 -10.085 -50.295 1.00 10.31 N ATOM 972 CA SER A 65 2.426 -10.763 -51.088 1.00 43.24 C ATOM 973 C SER A 65 2.083 -10.730 -52.579 1.00 30.11 C ATOM 974 O SER A 65 2.939 -10.977 -53.431 1.00 40.21 O ATOM 975 CB SER A 65 2.567 -12.207 -50.602 1.00 13.31 C ATOM 976 OG SER A 65 2.785 -12.245 -49.199 1.00 52.33 O ATOM 0 H SER A 65 0.831 -10.713 -49.730 1.00 10.31 H new ATOM 0 HA SER A 65 3.374 -10.241 -50.958 1.00 43.24 H new ATOM 0 HB2 SER A 65 1.667 -12.769 -50.851 1.00 13.31 H new ATOM 0 HB3 SER A 65 3.397 -12.690 -51.117 1.00 13.31 H new ATOM 0 HG SER A 65 2.871 -13.176 -48.906 1.00 52.33 H new ATOM 982 N ARG A 66 0.824 -10.433 -52.881 1.00 45.31 N ATOM 983 CA ARG A 66 0.362 -10.309 -54.260 1.00 14.00 C ATOM 984 C ARG A 66 0.685 -8.913 -54.793 1.00 1.23 C ATOM 985 O ARG A 66 0.910 -8.724 -55.989 1.00 33.32 O ATOM 986 CB ARG A 66 -1.145 -10.596 -54.320 1.00 41.14 C ATOM 987 CG ARG A 66 -1.499 -12.009 -53.849 1.00 42.33 C ATOM 988 CD ARG A 66 -2.986 -12.174 -53.554 1.00 1.51 C ATOM 989 NE ARG A 66 -3.824 -12.026 -54.744 1.00 14.23 N ATOM 990 CZ ARG A 66 -5.116 -12.363 -54.782 1.00 13.50 C ATOM 991 NH1 ARG A 66 -5.715 -12.847 -53.695 1.00 2.55 N ATOM 992 NH2 ARG A 66 -5.811 -12.216 -55.903 1.00 75.44 N ATOM 0 H ARG A 66 0.098 -10.272 -52.182 1.00 45.31 H new ATOM 0 HA ARG A 66 0.876 -11.035 -54.890 1.00 14.00 H new ATOM 0 HB2 ARG A 66 -1.673 -9.869 -53.703 1.00 41.14 H new ATOM 0 HB3 ARG A 66 -1.496 -10.460 -55.343 1.00 41.14 H new ATOM 0 HG2 ARG A 66 -1.202 -12.728 -54.613 1.00 42.33 H new ATOM 0 HG3 ARG A 66 -0.926 -12.243 -52.952 1.00 42.33 H new ATOM 0 HD2 ARG A 66 -3.157 -13.157 -53.116 1.00 1.51 H new ATOM 0 HD3 ARG A 66 -3.287 -11.437 -52.810 1.00 1.51 H new ATOM 0 HE ARG A 66 -3.399 -11.645 -55.590 1.00 14.23 H new ATOM 0 HH11 ARG A 66 -5.187 -12.961 -52.830 1.00 2.55 H new ATOM 0 HH12 ARG A 66 -6.702 -13.103 -53.728 1.00 2.55 H new ATOM 0 HH21 ARG A 66 -5.359 -11.845 -56.739 1.00 75.44 H new ATOM 0 HH22 ARG A 66 -6.797 -12.474 -55.929 1.00 75.44 H new ATOM 1006 N GLY A 67 0.727 -7.943 -53.873 1.00 34.51 N ATOM 1007 CA GLY A 67 1.143 -6.583 -54.201 1.00 34.10 C ATOM 1008 C GLY A 67 0.397 -5.968 -55.374 1.00 63.33 C ATOM 1009 O GLY A 67 0.945 -5.124 -56.085 1.00 1.24 O ATOM 0 H GLY A 67 0.476 -8.079 -52.894 1.00 34.51 H new ATOM 0 HA2 GLY A 67 1.003 -5.951 -53.324 1.00 34.10 H new ATOM 0 HA3 GLY A 67 2.210 -6.586 -54.425 1.00 34.10 H new ATOM 1013 N LYS A 68 -0.849 -6.381 -55.578 1.00 75.34 N ATOM 1014 CA LYS A 68 -1.663 -5.870 -56.683 1.00 45.14 C ATOM 1015 C LYS A 68 -2.470 -4.643 -56.228 1.00 23.21 C ATOM 1016 O LYS A 68 -3.384 -4.765 -55.408 1.00 4.34 O ATOM 1017 CB LYS A 68 -2.605 -6.974 -57.198 1.00 40.24 C ATOM 1018 CG LYS A 68 -3.334 -6.620 -58.494 1.00 60.33 C ATOM 1019 CD LYS A 68 -4.214 -7.772 -58.977 1.00 74.22 C ATOM 1020 CE LYS A 68 -4.871 -7.473 -60.324 1.00 64.14 C ATOM 1021 NZ LYS A 68 -5.798 -6.311 -60.258 1.00 71.10 N ATOM 0 H LYS A 68 -1.321 -7.070 -54.993 1.00 75.34 H new ATOM 0 HA LYS A 68 -1.004 -5.566 -57.496 1.00 45.14 H new ATOM 0 HB2 LYS A 68 -2.027 -7.885 -57.356 1.00 40.24 H new ATOM 0 HB3 LYS A 68 -3.344 -7.195 -56.427 1.00 40.24 H new ATOM 0 HG2 LYS A 68 -3.948 -5.734 -58.336 1.00 60.33 H new ATOM 0 HG3 LYS A 68 -2.606 -6.370 -59.265 1.00 60.33 H new ATOM 0 HD2 LYS A 68 -3.611 -8.676 -59.062 1.00 74.22 H new ATOM 0 HD3 LYS A 68 -4.987 -7.972 -58.235 1.00 74.22 H new ATOM 0 HE2 LYS A 68 -4.098 -7.276 -61.066 1.00 64.14 H new ATOM 0 HE3 LYS A 68 -5.419 -8.353 -60.661 1.00 64.14 H new ATOM 0 HZ1 LYS A 68 -6.257 -6.180 -61.182 1.00 71.10 H new ATOM 0 HZ2 LYS A 68 -6.523 -6.486 -59.533 1.00 71.10 H new ATOM 0 HZ3 LYS A 68 -5.263 -5.454 -60.012 1.00 71.10 H new ATOM 1035 N PRO A 69 -2.121 -3.437 -56.731 1.00 1.43 N ATOM 1036 CA PRO A 69 -2.814 -2.193 -56.370 1.00 41.05 C ATOM 1037 C PRO A 69 -4.161 -2.053 -57.083 1.00 63.34 C ATOM 1038 O PRO A 69 -4.462 -2.804 -58.012 1.00 73.21 O ATOM 1039 CB PRO A 69 -1.833 -1.105 -56.828 1.00 65.54 C ATOM 1040 CG PRO A 69 -1.121 -1.714 -57.988 1.00 33.42 C ATOM 1041 CD PRO A 69 -1.020 -3.191 -57.688 1.00 34.41 C ATOM 0 HA PRO A 69 -3.057 -2.144 -55.308 1.00 41.05 H new ATOM 0 HB2 PRO A 69 -2.357 -0.194 -57.117 1.00 65.54 H new ATOM 0 HB3 PRO A 69 -1.139 -0.835 -56.032 1.00 65.54 H new ATOM 0 HG2 PRO A 69 -1.667 -1.541 -58.915 1.00 33.42 H new ATOM 0 HG3 PRO A 69 -0.132 -1.273 -58.114 1.00 33.42 H new ATOM 0 HD2 PRO A 69 -1.134 -3.791 -58.591 1.00 34.41 H new ATOM 0 HD3 PRO A 69 -0.052 -3.446 -57.257 1.00 34.41 H new ATOM 1049 N PHE A 70 -4.960 -1.088 -56.647 1.00 41.12 N ATOM 1050 CA PHE A 70 -6.298 -0.874 -57.185 1.00 52.04 C ATOM 1051 C PHE A 70 -6.636 0.614 -57.150 1.00 55.23 C ATOM 1052 O PHE A 70 -6.441 1.272 -56.130 1.00 31.10 O ATOM 1053 CB PHE A 70 -7.322 -1.677 -56.365 1.00 51.25 C ATOM 1054 CG PHE A 70 -8.747 -1.541 -56.843 1.00 44.01 C ATOM 1055 CD1 PHE A 70 -9.204 -2.283 -57.923 1.00 50.33 C ATOM 1056 CD2 PHE A 70 -9.631 -0.678 -56.208 1.00 54.02 C ATOM 1057 CE1 PHE A 70 -10.510 -2.165 -58.362 1.00 71.23 C ATOM 1058 CE2 PHE A 70 -10.939 -0.559 -56.641 1.00 42.20 C ATOM 1059 CZ PHE A 70 -11.379 -1.303 -57.720 1.00 20.44 C ATOM 0 H PHE A 70 -4.700 -0.432 -55.911 1.00 41.12 H new ATOM 0 HA PHE A 70 -6.332 -1.216 -58.219 1.00 52.04 H new ATOM 0 HB2 PHE A 70 -7.043 -2.730 -56.389 1.00 51.25 H new ATOM 0 HB3 PHE A 70 -7.268 -1.356 -55.325 1.00 51.25 H new ATOM 0 HD1 PHE A 70 -8.531 -2.961 -58.427 1.00 50.33 H new ATOM 0 HD2 PHE A 70 -9.293 -0.093 -55.366 1.00 54.02 H new ATOM 0 HE1 PHE A 70 -10.851 -2.746 -59.206 1.00 71.23 H new ATOM 0 HE2 PHE A 70 -11.616 0.115 -56.137 1.00 42.20 H new ATOM 0 HZ PHE A 70 -12.400 -1.211 -58.061 1.00 20.44 H new ATOM 1069 N GLN A 71 -7.125 1.142 -58.268 1.00 45.33 N ATOM 1070 CA GLN A 71 -7.504 2.551 -58.353 1.00 52.35 C ATOM 1071 C GLN A 71 -9.019 2.695 -58.395 1.00 12.44 C ATOM 1072 O GLN A 71 -9.710 1.864 -58.996 1.00 73.44 O ATOM 1073 CB GLN A 71 -6.902 3.206 -59.604 1.00 41.45 C ATOM 1074 CG GLN A 71 -5.382 3.273 -59.604 1.00 24.22 C ATOM 1075 CD GLN A 71 -4.837 4.056 -60.787 1.00 52.53 C ATOM 1076 OE1 GLN A 71 -5.438 4.080 -61.865 1.00 33.44 O ATOM 1077 NE2 GLN A 71 -3.711 4.719 -60.588 1.00 75.03 N ATOM 0 H GLN A 71 -7.269 0.615 -59.130 1.00 45.33 H new ATOM 0 HA GLN A 71 -7.115 3.052 -57.466 1.00 52.35 H new ATOM 0 HB2 GLN A 71 -7.230 2.652 -60.484 1.00 41.45 H new ATOM 0 HB3 GLN A 71 -7.299 4.217 -59.698 1.00 41.45 H new ATOM 0 HG2 GLN A 71 -5.041 3.735 -58.678 1.00 24.22 H new ATOM 0 HG3 GLN A 71 -4.976 2.261 -59.623 1.00 24.22 H new ATOM 0 HE21 GLN A 71 -3.245 4.673 -59.682 1.00 75.03 H new ATOM 0 HE22 GLN A 71 -3.308 5.277 -61.341 1.00 75.03 H new ATOM 1086 N PHE A 72 -9.528 3.747 -57.760 1.00 73.33 N ATOM 1087 CA PHE A 72 -10.952 4.073 -57.825 1.00 2.55 C ATOM 1088 C PHE A 72 -11.185 5.512 -57.378 1.00 20.34 C ATOM 1089 O PHE A 72 -10.269 6.170 -56.885 1.00 61.22 O ATOM 1090 CB PHE A 72 -11.788 3.097 -56.975 1.00 25.13 C ATOM 1091 CG PHE A 72 -11.573 3.207 -55.483 1.00 43.44 C ATOM 1092 CD1 PHE A 72 -10.491 2.588 -54.873 1.00 1.40 C ATOM 1093 CD2 PHE A 72 -12.465 3.916 -54.691 1.00 73.40 C ATOM 1094 CE1 PHE A 72 -10.306 2.677 -53.506 1.00 5.31 C ATOM 1095 CE2 PHE A 72 -12.282 4.009 -53.325 1.00 1.11 C ATOM 1096 CZ PHE A 72 -11.201 3.389 -52.732 1.00 32.03 C ATOM 0 H PHE A 72 -8.975 4.390 -57.193 1.00 73.33 H new ATOM 0 HA PHE A 72 -11.276 3.971 -58.861 1.00 2.55 H new ATOM 0 HB2 PHE A 72 -12.844 3.265 -57.189 1.00 25.13 H new ATOM 0 HB3 PHE A 72 -11.558 2.078 -57.286 1.00 25.13 H new ATOM 0 HD1 PHE A 72 -9.786 2.031 -55.473 1.00 1.40 H new ATOM 0 HD2 PHE A 72 -13.314 4.402 -55.149 1.00 73.40 H new ATOM 0 HE1 PHE A 72 -9.461 2.189 -53.043 1.00 5.31 H new ATOM 0 HE2 PHE A 72 -12.984 4.566 -52.722 1.00 1.11 H new ATOM 0 HZ PHE A 72 -11.055 3.461 -51.664 1.00 32.03 H new ATOM 1106 N THR A 73 -12.405 6.000 -57.569 1.00 51.11 N ATOM 1107 CA THR A 73 -12.772 7.348 -57.156 1.00 1.20 C ATOM 1108 C THR A 73 -13.249 7.352 -55.699 1.00 62.13 C ATOM 1109 O THR A 73 -14.242 6.705 -55.359 1.00 74.23 O ATOM 1110 CB THR A 73 -13.878 7.922 -58.071 1.00 52.41 C ATOM 1111 OG1 THR A 73 -13.453 7.861 -59.443 1.00 54.54 O ATOM 1112 CG2 THR A 73 -14.210 9.366 -57.702 1.00 75.20 C ATOM 0 H THR A 73 -13.161 5.477 -58.011 1.00 51.11 H new ATOM 0 HA THR A 73 -11.887 7.978 -57.242 1.00 1.20 H new ATOM 0 HB THR A 73 -14.776 7.320 -57.934 1.00 52.41 H new ATOM 0 HG1 THR A 73 -14.157 8.224 -60.020 1.00 54.54 H new ATOM 0 HG21 THR A 73 -14.991 9.740 -58.364 1.00 75.20 H new ATOM 0 HG22 THR A 73 -14.558 9.407 -56.670 1.00 75.20 H new ATOM 0 HG23 THR A 73 -13.318 9.983 -57.808 1.00 75.20 H new ATOM 1120 N LEU A 74 -12.524 8.076 -54.849 1.00 41.42 N ATOM 1121 CA LEU A 74 -12.840 8.157 -53.423 1.00 2.01 C ATOM 1122 C LEU A 74 -14.207 8.802 -53.206 1.00 50.22 C ATOM 1123 O LEU A 74 -14.557 9.777 -53.876 1.00 44.43 O ATOM 1124 CB LEU A 74 -11.758 8.963 -52.688 1.00 4.02 C ATOM 1125 CG LEU A 74 -11.985 9.155 -51.178 1.00 75.13 C ATOM 1126 CD1 LEU A 74 -12.022 7.810 -50.459 1.00 51.31 C ATOM 1127 CD2 LEU A 74 -10.906 10.059 -50.585 1.00 40.31 C ATOM 0 H LEU A 74 -11.707 8.620 -55.126 1.00 41.42 H new ATOM 0 HA LEU A 74 -12.868 7.144 -53.021 1.00 2.01 H new ATOM 0 HB2 LEU A 74 -10.799 8.467 -52.833 1.00 4.02 H new ATOM 0 HB3 LEU A 74 -11.682 9.945 -53.154 1.00 4.02 H new ATOM 0 HG LEU A 74 -12.952 9.638 -51.036 1.00 75.13 H new ATOM 0 HD11 LEU A 74 -12.183 7.972 -49.393 1.00 51.31 H new ATOM 0 HD12 LEU A 74 -12.834 7.205 -50.861 1.00 51.31 H new ATOM 0 HD13 LEU A 74 -11.075 7.292 -50.608 1.00 51.31 H new ATOM 0 HD21 LEU A 74 -11.082 10.184 -49.517 1.00 40.31 H new ATOM 0 HD22 LEU A 74 -9.927 9.607 -50.741 1.00 40.31 H new ATOM 0 HD23 LEU A 74 -10.938 11.033 -51.074 1.00 40.31 H new ATOM 1139 N GLY A 75 -14.976 8.246 -52.274 1.00 21.12 N ATOM 1140 CA GLY A 75 -16.290 8.776 -51.954 1.00 51.53 C ATOM 1141 C GLY A 75 -17.393 8.062 -52.709 1.00 33.31 C ATOM 1142 O GLY A 75 -18.548 8.051 -52.274 1.00 41.10 O ATOM 0 H GLY A 75 -14.708 7.427 -51.728 1.00 21.12 H new ATOM 0 HA2 GLY A 75 -16.466 8.683 -50.882 1.00 51.53 H new ATOM 0 HA3 GLY A 75 -16.319 9.840 -52.191 1.00 51.53 H new ATOM 1146 N ALA A 76 -17.029 7.443 -53.829 1.00 23.41 N ATOM 1147 CA ALA A 76 -17.992 6.779 -54.707 1.00 10.02 C ATOM 1148 C ALA A 76 -18.444 5.436 -54.133 1.00 2.44 C ATOM 1149 O ALA A 76 -17.976 5.008 -53.075 1.00 74.43 O ATOM 1150 CB ALA A 76 -17.390 6.592 -56.098 1.00 13.12 C ATOM 0 H ALA A 76 -16.064 7.387 -54.154 1.00 23.41 H new ATOM 0 HA ALA A 76 -18.873 7.416 -54.783 1.00 10.02 H new ATOM 0 HB1 ALA A 76 -18.115 6.097 -56.744 1.00 13.12 H new ATOM 0 HB2 ALA A 76 -17.135 7.565 -56.518 1.00 13.12 H new ATOM 0 HB3 ALA A 76 -16.491 5.981 -56.026 1.00 13.12 H new ATOM 1156 N GLY A 77 -19.349 4.771 -54.852 1.00 45.30 N ATOM 1157 CA GLY A 77 -19.866 3.480 -54.424 1.00 54.35 C ATOM 1158 C GLY A 77 -19.070 2.324 -54.996 1.00 33.32 C ATOM 1159 O GLY A 77 -19.585 1.211 -55.135 1.00 54.41 O ATOM 0 H GLY A 77 -19.736 5.109 -55.733 1.00 45.30 H new ATOM 0 HA2 GLY A 77 -19.849 3.427 -53.335 1.00 54.35 H new ATOM 0 HA3 GLY A 77 -20.908 3.388 -54.731 1.00 54.35 H new ATOM 1163 N GLU A 78 -17.811 2.594 -55.338 1.00 32.55 N ATOM 1164 CA GLU A 78 -16.907 1.573 -55.858 1.00 75.44 C ATOM 1165 C GLU A 78 -16.701 0.471 -54.823 1.00 54.02 C ATOM 1166 O GLU A 78 -16.773 -0.720 -55.133 1.00 2.52 O ATOM 1167 CB GLU A 78 -15.557 2.203 -56.230 1.00 2.50 C ATOM 1168 CG GLU A 78 -15.629 3.171 -57.408 1.00 4.04 C ATOM 1169 CD GLU A 78 -15.891 2.470 -58.731 1.00 63.04 C ATOM 1170 OE1 GLU A 78 -17.067 2.206 -59.053 1.00 1.53 O ATOM 1171 OE2 GLU A 78 -14.918 2.171 -59.453 1.00 75.43 O ATOM 0 H GLU A 78 -17.392 3.521 -55.263 1.00 32.55 H new ATOM 0 HA GLU A 78 -17.352 1.136 -56.752 1.00 75.44 H new ATOM 0 HB2 GLU A 78 -15.162 2.731 -55.362 1.00 2.50 H new ATOM 0 HB3 GLU A 78 -14.850 1.408 -56.468 1.00 2.50 H new ATOM 0 HG2 GLU A 78 -16.419 3.900 -57.226 1.00 4.04 H new ATOM 0 HG3 GLU A 78 -14.693 3.725 -57.475 1.00 4.04 H new ATOM 1178 N VAL A 79 -16.464 0.884 -53.584 1.00 13.45 N ATOM 1179 CA VAL A 79 -16.227 -0.041 -52.486 1.00 1.34 C ATOM 1180 C VAL A 79 -17.168 0.278 -51.332 1.00 20.50 C ATOM 1181 O VAL A 79 -17.765 1.354 -51.296 1.00 12.22 O ATOM 1182 CB VAL A 79 -14.759 0.034 -51.986 1.00 22.51 C ATOM 1183 CG1 VAL A 79 -13.786 -0.389 -53.087 1.00 2.53 C ATOM 1184 CG2 VAL A 79 -14.427 1.438 -51.475 1.00 32.01 C ATOM 0 H VAL A 79 -16.431 1.867 -53.314 1.00 13.45 H new ATOM 0 HA VAL A 79 -16.413 -1.050 -52.853 1.00 1.34 H new ATOM 0 HB VAL A 79 -14.651 -0.662 -51.154 1.00 22.51 H new ATOM 0 HG11 VAL A 79 -12.764 -0.328 -52.713 1.00 2.53 H new ATOM 0 HG12 VAL A 79 -14.001 -1.414 -53.389 1.00 2.53 H new ATOM 0 HG13 VAL A 79 -13.898 0.273 -53.946 1.00 2.53 H new ATOM 0 HG21 VAL A 79 -13.393 1.465 -51.130 1.00 32.01 H new ATOM 0 HG22 VAL A 79 -14.559 2.159 -52.281 1.00 32.01 H new ATOM 0 HG23 VAL A 79 -15.092 1.691 -50.649 1.00 32.01 H new ATOM 1194 N ILE A 80 -17.310 -0.663 -50.403 1.00 75.42 N ATOM 1195 CA ILE A 80 -18.103 -0.434 -49.201 1.00 23.41 C ATOM 1196 C ILE A 80 -17.515 0.732 -48.407 1.00 60.52 C ATOM 1197 O ILE A 80 -16.290 0.870 -48.309 1.00 13.14 O ATOM 1198 CB ILE A 80 -18.171 -1.700 -48.305 1.00 73.33 C ATOM 1199 CG1 ILE A 80 -16.754 -2.166 -47.928 1.00 72.25 C ATOM 1200 CG2 ILE A 80 -18.937 -2.819 -49.011 1.00 24.01 C ATOM 1201 CD1 ILE A 80 -16.715 -3.403 -47.053 1.00 43.25 C ATOM 0 H ILE A 80 -16.887 -1.589 -50.460 1.00 75.42 H new ATOM 0 HA ILE A 80 -19.119 -0.193 -49.514 1.00 23.41 H new ATOM 0 HB ILE A 80 -18.706 -1.447 -47.390 1.00 73.33 H new ATOM 0 HG12 ILE A 80 -16.194 -2.364 -48.842 1.00 72.25 H new ATOM 0 HG13 ILE A 80 -16.243 -1.354 -47.411 1.00 72.25 H new ATOM 0 HG21 ILE A 80 -18.974 -3.698 -48.367 1.00 24.01 H new ATOM 0 HG22 ILE A 80 -19.952 -2.485 -49.227 1.00 24.01 H new ATOM 0 HG23 ILE A 80 -18.432 -3.073 -49.943 1.00 24.01 H new ATOM 0 HD11 ILE A 80 -15.679 -3.662 -46.835 1.00 43.25 H new ATOM 0 HD12 ILE A 80 -17.244 -3.206 -46.120 1.00 43.25 H new ATOM 0 HD13 ILE A 80 -17.194 -4.232 -47.573 1.00 43.25 H new ATOM 1213 N LYS A 81 -18.388 1.563 -47.839 1.00 23.20 N ATOM 1214 CA LYS A 81 -17.963 2.775 -47.135 1.00 11.25 C ATOM 1215 C LYS A 81 -17.014 2.463 -45.979 1.00 2.21 C ATOM 1216 O LYS A 81 -16.341 3.357 -45.473 1.00 14.32 O ATOM 1217 CB LYS A 81 -19.177 3.603 -46.673 1.00 0.11 C ATOM 1218 CG LYS A 81 -19.528 4.753 -47.627 1.00 41.11 C ATOM 1219 CD LYS A 81 -19.618 4.289 -49.083 1.00 62.14 C ATOM 1220 CE LYS A 81 -19.838 5.451 -50.051 1.00 73.31 C ATOM 1221 NZ LYS A 81 -18.762 6.480 -49.952 1.00 30.33 N ATOM 0 H LYS A 81 -19.398 1.419 -47.852 1.00 23.20 H new ATOM 0 HA LYS A 81 -17.401 3.383 -47.844 1.00 11.25 H new ATOM 0 HB2 LYS A 81 -20.041 2.945 -46.576 1.00 0.11 H new ATOM 0 HB3 LYS A 81 -18.974 4.011 -45.683 1.00 0.11 H new ATOM 0 HG2 LYS A 81 -20.479 5.193 -47.328 1.00 41.11 H new ATOM 0 HG3 LYS A 81 -18.774 5.536 -47.543 1.00 41.11 H new ATOM 0 HD2 LYS A 81 -18.701 3.764 -49.352 1.00 62.14 H new ATOM 0 HD3 LYS A 81 -20.435 3.575 -49.184 1.00 62.14 H new ATOM 0 HE2 LYS A 81 -19.880 5.069 -51.071 1.00 73.31 H new ATOM 0 HE3 LYS A 81 -20.802 5.915 -49.845 1.00 73.31 H new ATOM 0 HZ1 LYS A 81 -19.152 7.351 -49.539 1.00 30.33 H new ATOM 0 HZ2 LYS A 81 -17.995 6.123 -49.348 1.00 30.33 H new ATOM 0 HZ3 LYS A 81 -18.389 6.684 -50.901 1.00 30.33 H new ATOM 1235 N GLY A 82 -16.958 1.200 -45.569 1.00 34.43 N ATOM 1236 CA GLY A 82 -15.938 0.779 -44.626 1.00 31.53 C ATOM 1237 C GLY A 82 -14.541 1.031 -45.177 1.00 11.44 C ATOM 1238 O GLY A 82 -13.736 1.747 -44.570 1.00 11.05 O ATOM 0 H GLY A 82 -17.597 0.464 -45.871 1.00 34.43 H new ATOM 0 HA2 GLY A 82 -16.064 1.317 -43.686 1.00 31.53 H new ATOM 0 HA3 GLY A 82 -16.059 -0.281 -44.405 1.00 31.53 H new ATOM 1242 N TRP A 83 -14.272 0.470 -46.359 1.00 20.04 N ATOM 1243 CA TRP A 83 -12.981 0.650 -47.024 1.00 54.32 C ATOM 1244 C TRP A 83 -12.840 2.088 -47.508 1.00 71.34 C ATOM 1245 O TRP A 83 -11.763 2.678 -47.428 1.00 52.20 O ATOM 1246 CB TRP A 83 -12.836 -0.303 -48.223 1.00 1.15 C ATOM 1247 CG TRP A 83 -12.986 -1.755 -47.882 1.00 60.24 C ATOM 1248 CD1 TRP A 83 -12.815 -2.340 -46.662 1.00 62.11 C ATOM 1249 CD2 TRP A 83 -13.323 -2.811 -48.789 1.00 23.23 C ATOM 1250 NE1 TRP A 83 -13.042 -3.691 -46.753 1.00 5.04 N ATOM 1251 CE2 TRP A 83 -13.350 -4.005 -48.051 1.00 4.34 C ATOM 1252 CE3 TRP A 83 -13.605 -2.856 -50.156 1.00 42.12 C ATOM 1253 CZ2 TRP A 83 -13.653 -5.233 -48.635 1.00 13.44 C ATOM 1254 CZ3 TRP A 83 -13.905 -4.072 -50.736 1.00 3.14 C ATOM 1255 CH2 TRP A 83 -13.926 -5.248 -49.977 1.00 54.32 C ATOM 0 H TRP A 83 -14.932 -0.113 -46.874 1.00 20.04 H new ATOM 0 HA TRP A 83 -12.198 0.423 -46.300 1.00 54.32 H new ATOM 0 HB2 TRP A 83 -13.582 -0.040 -48.973 1.00 1.15 H new ATOM 0 HB3 TRP A 83 -11.858 -0.148 -48.678 1.00 1.15 H new ATOM 0 HD1 TRP A 83 -12.541 -1.817 -45.757 1.00 62.11 H new ATOM 0 HE1 TRP A 83 -12.990 -4.354 -45.980 1.00 5.04 H new ATOM 0 HE3 TRP A 83 -13.589 -1.954 -50.750 1.00 42.12 H new ATOM 0 HZ2 TRP A 83 -13.672 -6.141 -48.050 1.00 13.44 H new ATOM 0 HZ3 TRP A 83 -14.127 -4.117 -51.792 1.00 3.14 H new ATOM 0 HH2 TRP A 83 -14.162 -6.185 -50.459 1.00 54.32 H new ATOM 1266 N ASP A 84 -13.949 2.637 -48.002 1.00 72.43 N ATOM 1267 CA ASP A 84 -14.003 4.011 -48.503 1.00 32.24 C ATOM 1268 C ASP A 84 -13.515 4.997 -47.440 1.00 32.32 C ATOM 1269 O ASP A 84 -12.666 5.848 -47.707 1.00 11.55 O ATOM 1270 CB ASP A 84 -15.440 4.340 -48.926 1.00 51.14 C ATOM 1271 CG ASP A 84 -15.644 5.793 -49.323 1.00 24.20 C ATOM 1272 OD1 ASP A 84 -15.132 6.201 -50.380 1.00 41.55 O ATOM 1273 OD2 ASP A 84 -16.360 6.519 -48.591 1.00 3.24 O ATOM 0 H ASP A 84 -14.838 2.141 -48.066 1.00 72.43 H new ATOM 0 HA ASP A 84 -13.344 4.102 -49.366 1.00 32.24 H new ATOM 0 HB2 ASP A 84 -15.717 3.701 -49.765 1.00 51.14 H new ATOM 0 HB3 ASP A 84 -16.115 4.099 -48.105 1.00 51.14 H new ATOM 1278 N GLN A 85 -14.040 4.864 -46.227 1.00 53.44 N ATOM 1279 CA GLN A 85 -13.591 5.694 -45.112 1.00 73.31 C ATOM 1280 C GLN A 85 -12.186 5.275 -44.677 1.00 50.41 C ATOM 1281 O GLN A 85 -11.374 6.118 -44.274 1.00 43.23 O ATOM 1282 CB GLN A 85 -14.572 5.609 -43.934 1.00 11.22 C ATOM 1283 CG GLN A 85 -15.966 6.151 -44.248 1.00 25.14 C ATOM 1284 CD GLN A 85 -15.946 7.600 -44.711 1.00 22.14 C ATOM 1285 OE1 GLN A 85 -16.006 8.523 -43.900 1.00 20.15 O ATOM 1286 NE2 GLN A 85 -15.879 7.812 -46.017 1.00 2.41 N ATOM 0 H GLN A 85 -14.772 4.194 -45.990 1.00 53.44 H new ATOM 0 HA GLN A 85 -13.559 6.731 -45.445 1.00 73.31 H new ATOM 0 HB2 GLN A 85 -14.660 4.568 -43.621 1.00 11.22 H new ATOM 0 HB3 GLN A 85 -14.160 6.162 -43.090 1.00 11.22 H new ATOM 0 HG2 GLN A 85 -16.425 5.534 -45.021 1.00 25.14 H new ATOM 0 HG3 GLN A 85 -16.592 6.067 -43.360 1.00 25.14 H new ATOM 0 HE21 GLN A 85 -15.830 7.022 -46.660 1.00 2.41 H new ATOM 0 HE22 GLN A 85 -15.876 8.765 -46.379 1.00 2.41 H new ATOM 1295 N GLY A 86 -11.908 3.971 -44.771 1.00 70.40 N ATOM 1296 CA GLY A 86 -10.583 3.457 -44.461 1.00 62.34 C ATOM 1297 C GLY A 86 -9.489 4.188 -45.221 1.00 13.43 C ATOM 1298 O GLY A 86 -8.485 4.597 -44.639 1.00 1.43 O ATOM 0 H GLY A 86 -12.582 3.261 -45.058 1.00 70.40 H new ATOM 0 HA2 GLY A 86 -10.402 3.548 -43.390 1.00 62.34 H new ATOM 0 HA3 GLY A 86 -10.542 2.395 -44.702 1.00 62.34 H new ATOM 1302 N VAL A 87 -9.679 4.349 -46.527 1.00 54.13 N ATOM 1303 CA VAL A 87 -8.745 5.109 -47.354 1.00 50.24 C ATOM 1304 C VAL A 87 -8.919 6.615 -47.128 1.00 54.40 C ATOM 1305 O VAL A 87 -7.944 7.368 -47.120 1.00 10.11 O ATOM 1306 CB VAL A 87 -8.885 4.768 -48.864 1.00 55.44 C ATOM 1307 CG1 VAL A 87 -10.333 4.892 -49.332 1.00 34.31 C ATOM 1308 CG2 VAL A 87 -7.972 5.657 -49.710 1.00 62.31 C ATOM 0 H VAL A 87 -10.473 3.963 -47.037 1.00 54.13 H new ATOM 0 HA VAL A 87 -7.740 4.819 -47.047 1.00 50.24 H new ATOM 0 HB VAL A 87 -8.577 3.731 -48.996 1.00 55.44 H new ATOM 0 HG11 VAL A 87 -10.395 4.647 -50.392 1.00 34.31 H new ATOM 0 HG12 VAL A 87 -10.959 4.205 -48.763 1.00 34.31 H new ATOM 0 HG13 VAL A 87 -10.680 5.913 -49.175 1.00 34.31 H new ATOM 0 HG21 VAL A 87 -8.088 5.400 -50.763 1.00 62.31 H new ATOM 0 HG22 VAL A 87 -8.242 6.702 -49.560 1.00 62.31 H new ATOM 0 HG23 VAL A 87 -6.935 5.503 -49.411 1.00 62.31 H new ATOM 1318 N ALA A 88 -10.163 7.054 -46.924 1.00 43.42 N ATOM 1319 CA ALA A 88 -10.454 8.475 -46.715 1.00 63.54 C ATOM 1320 C ALA A 88 -9.822 8.998 -45.421 1.00 61.41 C ATOM 1321 O ALA A 88 -9.644 10.208 -45.252 1.00 62.12 O ATOM 1322 CB ALA A 88 -11.962 8.713 -46.698 1.00 72.34 C ATOM 0 H ALA A 88 -10.983 6.448 -46.899 1.00 43.42 H new ATOM 0 HA ALA A 88 -10.015 9.026 -47.547 1.00 63.54 H new ATOM 0 HB1 ALA A 88 -12.161 9.773 -46.542 1.00 72.34 H new ATOM 0 HB2 ALA A 88 -12.391 8.400 -47.650 1.00 72.34 H new ATOM 0 HB3 ALA A 88 -12.412 8.136 -45.890 1.00 72.34 H new ATOM 1328 N THR A 89 -9.500 8.093 -44.499 1.00 71.10 N ATOM 1329 CA THR A 89 -8.903 8.488 -43.224 1.00 21.14 C ATOM 1330 C THR A 89 -7.367 8.394 -43.248 1.00 72.32 C ATOM 1331 O THR A 89 -6.719 8.513 -42.203 1.00 61.43 O ATOM 1332 CB THR A 89 -9.462 7.645 -42.043 1.00 10.23 C ATOM 1333 OG1 THR A 89 -9.060 8.219 -40.787 1.00 70.41 O ATOM 1334 CG2 THR A 89 -8.987 6.197 -42.111 1.00 23.35 C ATOM 0 H THR A 89 -9.641 7.089 -44.609 1.00 71.10 H new ATOM 0 HA THR A 89 -9.178 9.532 -43.071 1.00 21.14 H new ATOM 0 HB THR A 89 -10.549 7.654 -42.122 1.00 10.23 H new ATOM 0 HG1 THR A 89 -8.142 8.555 -40.860 1.00 70.41 H new ATOM 0 HG21 THR A 89 -9.398 5.639 -41.269 1.00 23.35 H new ATOM 0 HG22 THR A 89 -9.325 5.747 -43.044 1.00 23.35 H new ATOM 0 HG23 THR A 89 -7.898 6.169 -42.068 1.00 23.35 H new ATOM 1342 N MET A 90 -6.777 8.202 -44.430 1.00 23.21 N ATOM 1343 CA MET A 90 -5.313 8.132 -44.547 1.00 52.35 C ATOM 1344 C MET A 90 -4.786 9.094 -45.608 1.00 34.44 C ATOM 1345 O MET A 90 -5.555 9.773 -46.282 1.00 64.34 O ATOM 1346 CB MET A 90 -4.839 6.702 -44.847 1.00 2.44 C ATOM 1347 CG MET A 90 -5.374 6.117 -46.145 1.00 20.52 C ATOM 1348 SD MET A 90 -4.523 4.596 -46.614 1.00 33.02 S ATOM 1349 CE MET A 90 -4.463 3.736 -45.045 1.00 71.33 C ATOM 0 H MET A 90 -7.280 8.093 -45.311 1.00 23.21 H new ATOM 0 HA MET A 90 -4.906 8.433 -43.582 1.00 52.35 H new ATOM 0 HB2 MET A 90 -3.750 6.694 -44.882 1.00 2.44 H new ATOM 0 HB3 MET A 90 -5.136 6.054 -44.022 1.00 2.44 H new ATOM 0 HG2 MET A 90 -6.440 5.916 -46.038 1.00 20.52 H new ATOM 0 HG3 MET A 90 -5.267 6.851 -46.943 1.00 20.52 H new ATOM 0 HE1 MET A 90 -4.094 2.722 -45.200 1.00 71.33 H new ATOM 0 HE2 MET A 90 -3.795 4.265 -44.365 1.00 71.33 H new ATOM 0 HE3 MET A 90 -5.463 3.697 -44.613 1.00 71.33 H new ATOM 1359 N THR A 91 -3.464 9.137 -45.742 1.00 54.53 N ATOM 1360 CA THR A 91 -2.792 10.052 -46.660 1.00 60.53 C ATOM 1361 C THR A 91 -1.765 9.304 -47.516 1.00 4.54 C ATOM 1362 O THR A 91 -1.587 8.094 -47.358 1.00 62.15 O ATOM 1363 CB THR A 91 -2.098 11.198 -45.877 1.00 2.34 C ATOM 1364 OG1 THR A 91 -1.307 10.656 -44.809 1.00 75.53 O ATOM 1365 CG2 THR A 91 -3.123 12.175 -45.306 1.00 54.53 C ATOM 0 H THR A 91 -2.827 8.538 -45.217 1.00 54.53 H new ATOM 0 HA THR A 91 -3.546 10.484 -47.319 1.00 60.53 H new ATOM 0 HB THR A 91 -1.455 11.738 -46.572 1.00 2.34 H new ATOM 0 HG1 THR A 91 -1.859 10.056 -44.265 1.00 75.53 H new ATOM 0 HG21 THR A 91 -2.607 12.967 -44.763 1.00 54.53 H new ATOM 0 HG22 THR A 91 -3.703 12.611 -46.120 1.00 54.53 H new ATOM 0 HG23 THR A 91 -3.792 11.645 -44.627 1.00 54.53 H new ATOM 1373 N LEU A 92 -1.095 10.023 -48.420 1.00 74.01 N ATOM 1374 CA LEU A 92 -0.141 9.402 -49.341 1.00 25.41 C ATOM 1375 C LEU A 92 1.052 8.833 -48.567 1.00 32.24 C ATOM 1376 O LEU A 92 1.650 9.520 -47.730 1.00 31.23 O ATOM 1377 CB LEU A 92 0.322 10.424 -50.401 1.00 14.43 C ATOM 1378 CG LEU A 92 0.847 9.843 -51.737 1.00 74.12 C ATOM 1379 CD1 LEU A 92 1.073 10.960 -52.755 1.00 1.01 C ATOM 1380 CD2 LEU A 92 2.133 9.041 -51.541 1.00 24.41 C ATOM 0 H LEU A 92 -1.195 11.032 -48.533 1.00 74.01 H new ATOM 0 HA LEU A 92 -0.634 8.578 -49.857 1.00 25.41 H new ATOM 0 HB2 LEU A 92 -0.513 11.088 -50.623 1.00 14.43 H new ATOM 0 HB3 LEU A 92 1.109 11.037 -49.963 1.00 14.43 H new ATOM 0 HG LEU A 92 0.085 9.162 -52.117 1.00 74.12 H new ATOM 0 HD11 LEU A 92 1.442 10.533 -53.688 1.00 1.01 H new ATOM 0 HD12 LEU A 92 0.133 11.479 -52.940 1.00 1.01 H new ATOM 0 HD13 LEU A 92 1.806 11.666 -52.364 1.00 1.01 H new ATOM 0 HD21 LEU A 92 2.468 8.651 -52.502 1.00 24.41 H new ATOM 0 HD22 LEU A 92 2.905 9.687 -51.123 1.00 24.41 H new ATOM 0 HD23 LEU A 92 1.945 8.212 -50.859 1.00 24.41 H new ATOM 1392 N GLY A 93 1.381 7.571 -48.856 1.00 34.21 N ATOM 1393 CA GLY A 93 2.499 6.908 -48.208 1.00 5.55 C ATOM 1394 C GLY A 93 2.141 6.408 -46.826 1.00 72.25 C ATOM 1395 O GLY A 93 3.008 6.273 -45.960 1.00 64.11 O ATOM 0 H GLY A 93 0.885 6.994 -49.535 1.00 34.21 H new ATOM 0 HA2 GLY A 93 2.828 6.070 -48.822 1.00 5.55 H new ATOM 0 HA3 GLY A 93 3.338 7.600 -48.137 1.00 5.55 H new ATOM 1399 N GLU A 94 0.858 6.127 -46.621 1.00 71.34 N ATOM 1400 CA GLU A 94 0.354 5.711 -45.319 1.00 13.03 C ATOM 1401 C GLU A 94 -0.360 4.365 -45.426 1.00 35.11 C ATOM 1402 O GLU A 94 -1.047 4.091 -46.414 1.00 11.33 O ATOM 1403 CB GLU A 94 -0.586 6.798 -44.774 1.00 33.44 C ATOM 1404 CG GLU A 94 -1.069 6.574 -43.345 1.00 42.11 C ATOM 1405 CD GLU A 94 -1.535 7.866 -42.692 1.00 1.35 C ATOM 1406 OE1 GLU A 94 -2.506 8.471 -43.181 1.00 1.51 O ATOM 1407 OE2 GLU A 94 -0.902 8.313 -41.713 1.00 22.02 O ATOM 0 H GLU A 94 0.144 6.181 -47.347 1.00 71.34 H new ATOM 0 HA GLU A 94 1.187 5.584 -44.627 1.00 13.03 H new ATOM 0 HB2 GLU A 94 -0.073 7.758 -44.822 1.00 33.44 H new ATOM 0 HB3 GLU A 94 -1.455 6.868 -45.429 1.00 33.44 H new ATOM 0 HG2 GLU A 94 -1.887 5.854 -43.348 1.00 42.11 H new ATOM 0 HG3 GLU A 94 -0.263 6.139 -42.754 1.00 42.11 H new ATOM 1414 N LYS A 95 -0.167 3.523 -44.417 1.00 63.35 N ATOM 1415 CA LYS A 95 -0.798 2.209 -44.368 1.00 74.54 C ATOM 1416 C LYS A 95 -1.276 1.926 -42.949 1.00 2.34 C ATOM 1417 O LYS A 95 -0.556 2.187 -41.978 1.00 24.43 O ATOM 1418 CB LYS A 95 0.177 1.118 -44.851 1.00 62.30 C ATOM 1419 CG LYS A 95 -0.418 -0.291 -44.845 1.00 64.33 C ATOM 1420 CD LYS A 95 0.398 -1.270 -45.690 1.00 65.41 C ATOM 1421 CE LYS A 95 1.787 -1.522 -45.119 1.00 1.24 C ATOM 1422 NZ LYS A 95 1.735 -2.291 -43.847 1.00 21.52 N ATOM 0 H LYS A 95 0.428 3.730 -43.614 1.00 63.35 H new ATOM 0 HA LYS A 95 -1.659 2.201 -45.037 1.00 74.54 H new ATOM 0 HB2 LYS A 95 0.505 1.359 -45.862 1.00 62.30 H new ATOM 0 HB3 LYS A 95 1.064 1.130 -44.217 1.00 62.30 H new ATOM 0 HG2 LYS A 95 -0.471 -0.656 -43.819 1.00 64.33 H new ATOM 0 HG3 LYS A 95 -1.440 -0.253 -45.223 1.00 64.33 H new ATOM 0 HD2 LYS A 95 -0.138 -2.216 -45.762 1.00 65.41 H new ATOM 0 HD3 LYS A 95 0.491 -0.879 -46.703 1.00 65.41 H new ATOM 0 HE2 LYS A 95 2.385 -2.068 -45.848 1.00 1.24 H new ATOM 0 HE3 LYS A 95 2.286 -0.569 -44.946 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 2.703 -2.499 -43.528 1.00 21.52 H new ATOM 0 HZ2 LYS A 95 1.244 -1.730 -43.122 1.00 21.52 H new ATOM 0 HZ3 LYS A 95 1.222 -3.182 -44.001 1.00 21.52 H new ATOM 1436 N ALA A 96 -2.492 1.403 -42.828 1.00 20.50 N ATOM 1437 CA ALA A 96 -3.101 1.184 -41.521 1.00 55.24 C ATOM 1438 C ALA A 96 -3.953 -0.080 -41.501 1.00 22.35 C ATOM 1439 O ALA A 96 -4.485 -0.504 -42.529 1.00 52.31 O ATOM 1440 CB ALA A 96 -3.945 2.395 -41.130 1.00 14.21 C ATOM 0 H ALA A 96 -3.074 1.123 -43.618 1.00 20.50 H new ATOM 0 HA ALA A 96 -2.298 1.052 -40.796 1.00 55.24 H new ATOM 0 HB1 ALA A 96 -4.396 2.224 -40.153 1.00 14.21 H new ATOM 0 HB2 ALA A 96 -3.312 3.281 -41.087 1.00 14.21 H new ATOM 0 HB3 ALA A 96 -4.730 2.546 -41.871 1.00 14.21 H new ATOM 1446 N LEU A 97 -4.063 -0.673 -40.320 1.00 62.33 N ATOM 1447 CA LEU A 97 -4.936 -1.814 -40.088 1.00 4.54 C ATOM 1448 C LEU A 97 -6.294 -1.286 -39.633 1.00 23.15 C ATOM 1449 O LEU A 97 -6.394 -0.678 -38.566 1.00 2.53 O ATOM 1450 CB LEU A 97 -4.303 -2.740 -39.022 1.00 62.35 C ATOM 1451 CG LEU A 97 -5.041 -4.066 -38.712 1.00 23.42 C ATOM 1452 CD1 LEU A 97 -4.106 -5.041 -38.000 1.00 52.33 C ATOM 1453 CD2 LEU A 97 -6.286 -3.833 -37.852 1.00 12.41 C ATOM 0 H LEU A 97 -3.547 -0.374 -39.493 1.00 62.33 H new ATOM 0 HA LEU A 97 -5.067 -2.399 -40.998 1.00 4.54 H new ATOM 0 HB2 LEU A 97 -3.290 -2.984 -39.344 1.00 62.35 H new ATOM 0 HB3 LEU A 97 -4.215 -2.176 -38.093 1.00 62.35 H new ATOM 0 HG LEU A 97 -5.358 -4.491 -39.664 1.00 23.42 H new ATOM 0 HD11 LEU A 97 -4.639 -5.968 -37.789 1.00 52.33 H new ATOM 0 HD12 LEU A 97 -3.248 -5.253 -38.637 1.00 52.33 H new ATOM 0 HD13 LEU A 97 -3.763 -4.599 -37.065 1.00 52.33 H new ATOM 0 HD21 LEU A 97 -6.776 -4.786 -37.656 1.00 12.41 H new ATOM 0 HD22 LEU A 97 -5.995 -3.374 -36.907 1.00 12.41 H new ATOM 0 HD23 LEU A 97 -6.974 -3.173 -38.380 1.00 12.41 H new ATOM 1465 N PHE A 98 -7.325 -1.487 -40.447 1.00 33.43 N ATOM 1466 CA PHE A 98 -8.651 -0.955 -40.139 1.00 22.33 C ATOM 1467 C PHE A 98 -9.659 -2.094 -39.956 1.00 65.01 C ATOM 1468 O PHE A 98 -9.858 -2.914 -40.857 1.00 52.24 O ATOM 1469 CB PHE A 98 -9.106 -0.006 -41.261 1.00 14.23 C ATOM 1470 CG PHE A 98 -10.175 0.976 -40.840 1.00 54.22 C ATOM 1471 CD1 PHE A 98 -11.489 0.568 -40.666 1.00 1.45 C ATOM 1472 CD2 PHE A 98 -9.860 2.310 -40.620 1.00 54.43 C ATOM 1473 CE1 PHE A 98 -12.465 1.468 -40.279 1.00 61.40 C ATOM 1474 CE2 PHE A 98 -10.832 3.212 -40.235 1.00 53.50 C ATOM 1475 CZ PHE A 98 -12.136 2.790 -40.064 1.00 43.13 C ATOM 0 H PHE A 98 -7.271 -2.011 -41.320 1.00 33.43 H new ATOM 0 HA PHE A 98 -8.598 -0.396 -39.205 1.00 22.33 H new ATOM 0 HB2 PHE A 98 -8.242 0.548 -41.627 1.00 14.23 H new ATOM 0 HB3 PHE A 98 -9.480 -0.599 -42.095 1.00 14.23 H new ATOM 0 HD1 PHE A 98 -11.753 -0.465 -40.835 1.00 1.45 H new ATOM 0 HD2 PHE A 98 -8.842 2.646 -40.752 1.00 54.43 H new ATOM 0 HE1 PHE A 98 -13.484 1.136 -40.145 1.00 61.40 H new ATOM 0 HE2 PHE A 98 -10.573 4.247 -40.068 1.00 53.50 H new ATOM 0 HZ PHE A 98 -12.897 3.494 -39.762 1.00 43.13 H new ATOM 1485 N THR A 99 -10.270 -2.150 -38.777 1.00 0.52 N ATOM 1486 CA THR A 99 -11.333 -3.107 -38.502 1.00 41.40 C ATOM 1487 C THR A 99 -12.657 -2.588 -39.071 1.00 32.20 C ATOM 1488 O THR A 99 -13.188 -1.575 -38.609 1.00 23.33 O ATOM 1489 CB THR A 99 -11.476 -3.359 -36.983 1.00 71.14 C ATOM 1490 OG1 THR A 99 -10.213 -3.766 -36.432 1.00 32.31 O ATOM 1491 CG2 THR A 99 -12.523 -4.432 -36.695 1.00 45.34 C ATOM 0 H THR A 99 -10.044 -1.539 -37.992 1.00 0.52 H new ATOM 0 HA THR A 99 -11.075 -4.052 -38.981 1.00 41.40 H new ATOM 0 HB THR A 99 -11.799 -2.427 -36.519 1.00 71.14 H new ATOM 0 HG1 THR A 99 -10.286 -3.829 -35.457 1.00 32.31 H new ATOM 0 HG21 THR A 99 -12.600 -4.586 -35.619 1.00 45.34 H new ATOM 0 HG22 THR A 99 -13.489 -4.112 -37.086 1.00 45.34 H new ATOM 0 HG23 THR A 99 -12.229 -5.365 -37.175 1.00 45.34 H new ATOM 1499 N ILE A 100 -13.169 -3.276 -40.085 1.00 21.32 N ATOM 1500 CA ILE A 100 -14.381 -2.867 -40.786 1.00 55.40 C ATOM 1501 C ILE A 100 -15.627 -3.452 -40.103 1.00 14.24 C ATOM 1502 O ILE A 100 -15.847 -4.671 -40.149 1.00 1.33 O ATOM 1503 CB ILE A 100 -14.352 -3.332 -42.268 1.00 12.11 C ATOM 1504 CG1 ILE A 100 -13.015 -2.955 -42.936 1.00 60.11 C ATOM 1505 CG2 ILE A 100 -15.526 -2.732 -43.042 1.00 11.45 C ATOM 1506 CD1 ILE A 100 -12.786 -1.461 -43.061 1.00 2.12 C ATOM 0 H ILE A 100 -12.754 -4.135 -40.445 1.00 21.32 H new ATOM 0 HA ILE A 100 -14.425 -1.778 -40.753 1.00 55.40 H new ATOM 0 HB ILE A 100 -14.446 -4.418 -42.285 1.00 12.11 H new ATOM 0 HG12 ILE A 100 -12.198 -3.390 -42.361 1.00 60.11 H new ATOM 0 HG13 ILE A 100 -12.979 -3.402 -43.930 1.00 60.11 H new ATOM 0 HG21 ILE A 100 -15.489 -3.069 -44.078 1.00 11.45 H new ATOM 0 HG22 ILE A 100 -16.463 -3.054 -42.589 1.00 11.45 H new ATOM 0 HG23 ILE A 100 -15.464 -1.644 -43.012 1.00 11.45 H new ATOM 0 HD11 ILE A 100 -11.824 -1.279 -43.541 1.00 2.12 H new ATOM 0 HD12 ILE A 100 -13.581 -1.020 -43.663 1.00 2.12 H new ATOM 0 HD13 ILE A 100 -12.788 -1.008 -42.069 1.00 2.12 H new ATOM 1518 N PRO A 101 -16.453 -2.597 -39.458 1.00 5.44 N ATOM 1519 CA PRO A 101 -17.693 -3.034 -38.796 1.00 42.13 C ATOM 1520 C PRO A 101 -18.708 -3.568 -39.810 1.00 14.34 C ATOM 1521 O PRO A 101 -18.872 -2.998 -40.892 1.00 14.05 O ATOM 1522 CB PRO A 101 -18.213 -1.758 -38.112 1.00 51.24 C ATOM 1523 CG PRO A 101 -17.587 -0.634 -38.871 1.00 0.42 C ATOM 1524 CD PRO A 101 -16.242 -1.141 -39.325 1.00 24.24 C ATOM 0 HA PRO A 101 -17.526 -3.851 -38.094 1.00 42.13 H new ATOM 0 HB2 PRO A 101 -19.301 -1.704 -38.151 1.00 51.24 H new ATOM 0 HB3 PRO A 101 -17.930 -1.730 -37.060 1.00 51.24 H new ATOM 0 HG2 PRO A 101 -18.204 -0.346 -39.722 1.00 0.42 H new ATOM 0 HG3 PRO A 101 -17.479 0.250 -38.242 1.00 0.42 H new ATOM 0 HD2 PRO A 101 -15.941 -0.690 -40.271 1.00 24.24 H new ATOM 0 HD3 PRO A 101 -15.461 -0.913 -38.600 1.00 24.24 H new ATOM 1532 N TYR A 102 -19.401 -4.650 -39.444 1.00 62.24 N ATOM 1533 CA TYR A 102 -20.268 -5.370 -40.379 1.00 42.32 C ATOM 1534 C TYR A 102 -21.323 -4.457 -41.012 1.00 55.45 C ATOM 1535 O TYR A 102 -21.752 -4.696 -42.139 1.00 63.25 O ATOM 1536 CB TYR A 102 -20.935 -6.577 -39.694 1.00 22.34 C ATOM 1537 CG TYR A 102 -21.994 -6.245 -38.650 1.00 74.23 C ATOM 1538 CD1 TYR A 102 -21.664 -6.085 -37.307 1.00 34.34 C ATOM 1539 CD2 TYR A 102 -23.334 -6.127 -39.009 1.00 52.43 C ATOM 1540 CE1 TYR A 102 -22.638 -5.820 -36.358 1.00 44.51 C ATOM 1541 CE2 TYR A 102 -24.309 -5.855 -38.069 1.00 11.43 C ATOM 1542 CZ TYR A 102 -23.958 -5.705 -36.745 1.00 3.53 C ATOM 1543 OH TYR A 102 -24.936 -5.449 -35.806 1.00 60.43 O ATOM 0 H TYR A 102 -19.378 -5.047 -38.505 1.00 62.24 H new ATOM 0 HA TYR A 102 -19.631 -5.735 -41.185 1.00 42.32 H new ATOM 0 HB2 TYR A 102 -21.392 -7.200 -40.463 1.00 22.34 H new ATOM 0 HB3 TYR A 102 -20.158 -7.176 -39.219 1.00 22.34 H new ATOM 0 HD1 TYR A 102 -20.632 -6.169 -37.000 1.00 34.34 H new ATOM 0 HD2 TYR A 102 -23.617 -6.251 -40.044 1.00 52.43 H new ATOM 0 HE1 TYR A 102 -22.366 -5.704 -35.319 1.00 44.51 H new ATOM 0 HE2 TYR A 102 -25.342 -5.760 -38.370 1.00 11.43 H new ATOM 0 HH TYR A 102 -25.809 -5.398 -36.248 1.00 60.43 H new ATOM 1553 N GLN A 103 -21.724 -3.405 -40.297 1.00 54.01 N ATOM 1554 CA GLN A 103 -22.728 -2.471 -40.809 1.00 73.14 C ATOM 1555 C GLN A 103 -22.215 -1.761 -42.061 1.00 73.11 C ATOM 1556 O GLN A 103 -22.963 -1.534 -43.012 1.00 64.20 O ATOM 1557 CB GLN A 103 -23.110 -1.431 -39.747 1.00 20.21 C ATOM 1558 CG GLN A 103 -23.672 -2.032 -38.462 1.00 52.32 C ATOM 1559 CD GLN A 103 -24.287 -0.983 -37.550 1.00 12.35 C ATOM 1560 OE1 GLN A 103 -25.485 -0.701 -37.624 1.00 44.32 O ATOM 1561 NE2 GLN A 103 -23.475 -0.385 -36.694 1.00 41.41 N ATOM 0 H GLN A 103 -21.371 -3.179 -39.367 1.00 54.01 H new ATOM 0 HA GLN A 103 -23.615 -3.050 -41.064 1.00 73.14 H new ATOM 0 HB2 GLN A 103 -22.230 -0.836 -39.503 1.00 20.21 H new ATOM 0 HB3 GLN A 103 -23.848 -0.749 -40.170 1.00 20.21 H new ATOM 0 HG2 GLN A 103 -24.426 -2.778 -38.713 1.00 52.32 H new ATOM 0 HG3 GLN A 103 -22.876 -2.551 -37.929 1.00 52.32 H new ATOM 0 HE21 GLN A 103 -22.489 -0.644 -36.660 1.00 41.41 H new ATOM 0 HE22 GLN A 103 -23.835 0.335 -36.067 1.00 41.41 H new ATOM 1570 N LEU A 104 -20.921 -1.447 -42.062 1.00 62.14 N ATOM 1571 CA LEU A 104 -20.294 -0.732 -43.174 1.00 32.30 C ATOM 1572 C LEU A 104 -19.567 -1.716 -44.082 1.00 63.52 C ATOM 1573 O LEU A 104 -18.705 -1.332 -44.880 1.00 31.32 O ATOM 1574 CB LEU A 104 -19.315 0.327 -42.640 1.00 72.14 C ATOM 1575 CG LEU A 104 -19.939 1.412 -41.742 1.00 20.21 C ATOM 1576 CD1 LEU A 104 -18.874 2.389 -41.255 1.00 1.30 C ATOM 1577 CD2 LEU A 104 -21.057 2.147 -42.484 1.00 71.42 C ATOM 0 H LEU A 104 -20.282 -1.678 -41.301 1.00 62.14 H new ATOM 0 HA LEU A 104 -21.069 -0.228 -43.752 1.00 32.30 H new ATOM 0 HB2 LEU A 104 -18.531 -0.179 -42.077 1.00 72.14 H new ATOM 0 HB3 LEU A 104 -18.835 0.814 -43.489 1.00 72.14 H new ATOM 0 HG LEU A 104 -20.374 0.926 -40.869 1.00 20.21 H new ATOM 0 HD11 LEU A 104 -19.337 3.147 -40.623 1.00 1.30 H new ATOM 0 HD12 LEU A 104 -18.120 1.849 -40.682 1.00 1.30 H new ATOM 0 HD13 LEU A 104 -18.403 2.870 -42.112 1.00 1.30 H new ATOM 0 HD21 LEU A 104 -21.485 2.909 -41.833 1.00 71.42 H new ATOM 0 HD22 LEU A 104 -20.651 2.620 -43.378 1.00 71.42 H new ATOM 0 HD23 LEU A 104 -21.833 1.436 -42.770 1.00 71.42 H new ATOM 1589 N ALA A 105 -19.933 -2.989 -43.964 1.00 62.01 N ATOM 1590 CA ALA A 105 -19.287 -4.048 -44.722 1.00 15.02 C ATOM 1591 C ALA A 105 -20.308 -5.024 -45.285 1.00 14.10 C ATOM 1592 O ALA A 105 -21.494 -4.967 -44.957 1.00 75.53 O ATOM 1593 CB ALA A 105 -18.287 -4.788 -43.840 1.00 53.05 C ATOM 0 H ALA A 105 -20.678 -3.310 -43.346 1.00 62.01 H new ATOM 0 HA ALA A 105 -18.759 -3.591 -45.559 1.00 15.02 H new ATOM 0 HB1 ALA A 105 -17.809 -5.579 -44.417 1.00 53.05 H new ATOM 0 HB2 ALA A 105 -17.529 -4.090 -43.484 1.00 53.05 H new ATOM 0 HB3 ALA A 105 -18.807 -5.225 -42.987 1.00 53.05 H new ATOM 1599 N TYR A 106 -19.828 -5.922 -46.136 1.00 54.43 N ATOM 1600 CA TYR A 106 -20.647 -6.997 -46.685 1.00 22.33 C ATOM 1601 C TYR A 106 -20.839 -8.100 -45.642 1.00 52.22 C ATOM 1602 O TYR A 106 -21.651 -9.011 -45.825 1.00 2.43 O ATOM 1603 CB TYR A 106 -19.987 -7.569 -47.952 1.00 62.33 C ATOM 1604 CG TYR A 106 -18.577 -8.100 -47.724 1.00 72.41 C ATOM 1605 CD1 TYR A 106 -17.477 -7.248 -47.770 1.00 61.54 C ATOM 1606 CD2 TYR A 106 -18.348 -9.448 -47.450 1.00 15.41 C ATOM 1607 CE1 TYR A 106 -16.195 -7.721 -47.554 1.00 50.11 C ATOM 1608 CE2 TYR A 106 -17.069 -9.925 -47.229 1.00 43.13 C ATOM 1609 CZ TYR A 106 -15.997 -9.058 -47.283 1.00 60.03 C ATOM 1610 OH TYR A 106 -14.723 -9.529 -47.058 1.00 3.12 O ATOM 0 H TYR A 106 -18.862 -5.926 -46.465 1.00 54.43 H new ATOM 0 HA TYR A 106 -21.625 -6.595 -46.950 1.00 22.33 H new ATOM 0 HB2 TYR A 106 -20.610 -8.374 -48.343 1.00 62.33 H new ATOM 0 HB3 TYR A 106 -19.954 -6.792 -48.716 1.00 62.33 H new ATOM 0 HD1 TYR A 106 -17.627 -6.199 -47.978 1.00 61.54 H new ATOM 0 HD2 TYR A 106 -19.184 -10.131 -47.410 1.00 15.41 H new ATOM 0 HE1 TYR A 106 -15.353 -7.046 -47.597 1.00 50.11 H new ATOM 0 HE2 TYR A 106 -16.910 -10.972 -47.015 1.00 43.13 H new ATOM 0 HH TYR A 106 -14.757 -10.492 -46.881 1.00 3.12 H new ATOM 1620 N GLY A 107 -20.082 -7.993 -44.548 1.00 75.14 N ATOM 1621 CA GLY A 107 -20.122 -8.989 -43.487 1.00 10.44 C ATOM 1622 C GLY A 107 -21.491 -9.116 -42.848 1.00 30.53 C ATOM 1623 O GLY A 107 -21.821 -10.159 -42.288 1.00 60.22 O ATOM 0 H GLY A 107 -19.434 -7.224 -44.378 1.00 75.14 H new ATOM 0 HA2 GLY A 107 -19.825 -9.956 -43.892 1.00 10.44 H new ATOM 0 HA3 GLY A 107 -19.392 -8.726 -42.721 1.00 10.44 H new ATOM 1627 N GLU A 108 -22.285 -8.047 -42.918 1.00 42.23 N ATOM 1628 CA GLU A 108 -23.660 -8.074 -42.420 1.00 2.53 C ATOM 1629 C GLU A 108 -24.451 -9.120 -43.202 1.00 1.12 C ATOM 1630 O GLU A 108 -25.033 -10.044 -42.625 1.00 70.21 O ATOM 1631 CB GLU A 108 -24.304 -6.680 -42.572 1.00 42.32 C ATOM 1632 CG GLU A 108 -25.556 -6.445 -41.715 1.00 4.21 C ATOM 1633 CD GLU A 108 -26.748 -7.309 -42.105 1.00 31.05 C ATOM 1634 OE1 GLU A 108 -27.296 -7.116 -43.209 1.00 42.51 O ATOM 1635 OE2 GLU A 108 -27.165 -8.166 -41.297 1.00 64.21 O ATOM 0 H GLU A 108 -21.999 -7.152 -43.315 1.00 42.23 H new ATOM 0 HA GLU A 108 -23.665 -8.337 -41.362 1.00 2.53 H new ATOM 0 HB2 GLU A 108 -23.561 -5.924 -42.318 1.00 42.32 H new ATOM 0 HB3 GLU A 108 -24.566 -6.530 -43.619 1.00 42.32 H new ATOM 0 HG2 GLU A 108 -25.309 -6.635 -40.671 1.00 4.21 H new ATOM 0 HG3 GLU A 108 -25.842 -5.396 -41.789 1.00 4.21 H new ATOM 1642 N ARG A 109 -24.424 -8.974 -44.523 1.00 41.24 N ATOM 1643 CA ARG A 109 -25.139 -9.863 -45.427 1.00 2.14 C ATOM 1644 C ARG A 109 -24.581 -11.285 -45.361 1.00 64.15 C ATOM 1645 O ARG A 109 -25.342 -12.245 -45.221 1.00 50.12 O ATOM 1646 CB ARG A 109 -25.059 -9.319 -46.864 1.00 42.44 C ATOM 1647 CG ARG A 109 -25.514 -10.306 -47.936 1.00 24.32 C ATOM 1648 CD ARG A 109 -26.951 -10.774 -47.728 1.00 60.10 C ATOM 1649 NE ARG A 109 -27.305 -11.847 -48.659 1.00 12.51 N ATOM 1650 CZ ARG A 109 -27.180 -13.148 -48.387 1.00 71.52 C ATOM 1651 NH1 ARG A 109 -26.715 -13.544 -47.208 1.00 63.01 N ATOM 1652 NH2 ARG A 109 -27.528 -14.053 -49.292 1.00 72.20 N ATOM 0 H ARG A 109 -23.904 -8.234 -44.996 1.00 41.24 H new ATOM 0 HA ARG A 109 -26.183 -9.902 -45.117 1.00 2.14 H new ATOM 0 HB2 ARG A 109 -25.669 -8.418 -46.934 1.00 42.44 H new ATOM 0 HB3 ARG A 109 -24.030 -9.024 -47.072 1.00 42.44 H new ATOM 0 HG2 ARG A 109 -25.426 -9.838 -48.917 1.00 24.32 H new ATOM 0 HG3 ARG A 109 -24.850 -11.170 -47.935 1.00 24.32 H new ATOM 0 HD2 ARG A 109 -27.076 -11.124 -46.703 1.00 60.10 H new ATOM 0 HD3 ARG A 109 -27.632 -9.934 -47.864 1.00 60.10 H new ATOM 0 HE ARG A 109 -27.671 -11.584 -49.574 1.00 12.51 H new ATOM 0 HH11 ARG A 109 -26.452 -12.853 -46.505 1.00 63.01 H new ATOM 0 HH12 ARG A 109 -26.621 -14.539 -47.005 1.00 63.01 H new ATOM 0 HH21 ARG A 109 -27.892 -13.755 -50.197 1.00 72.20 H new ATOM 0 HH22 ARG A 109 -27.432 -15.047 -49.083 1.00 72.20 H new ATOM 1666 N GLY A 110 -23.258 -11.408 -45.463 1.00 51.44 N ATOM 1667 CA GLY A 110 -22.626 -12.718 -45.491 1.00 74.31 C ATOM 1668 C GLY A 110 -23.166 -13.579 -46.620 1.00 44.44 C ATOM 1669 O GLY A 110 -23.979 -14.477 -46.387 1.00 52.23 O ATOM 0 H GLY A 110 -22.612 -10.622 -45.527 1.00 51.44 H new ATOM 0 HA2 GLY A 110 -21.549 -12.600 -45.607 1.00 74.31 H new ATOM 0 HA3 GLY A 110 -22.791 -13.222 -44.539 1.00 74.31 H new ATOM 1673 N TYR A 111 -22.734 -13.282 -47.847 1.00 14.34 N ATOM 1674 CA TYR A 111 -23.234 -13.976 -49.035 1.00 51.25 C ATOM 1675 C TYR A 111 -22.966 -15.493 -48.961 1.00 15.01 C ATOM 1676 O TYR A 111 -23.891 -16.291 -49.124 1.00 51.22 O ATOM 1677 CB TYR A 111 -22.621 -13.385 -50.321 1.00 51.01 C ATOM 1678 CG TYR A 111 -22.861 -11.896 -50.513 1.00 1.55 C ATOM 1679 CD1 TYR A 111 -22.006 -10.954 -49.946 1.00 62.24 C ATOM 1680 CD2 TYR A 111 -23.932 -11.434 -51.272 1.00 14.33 C ATOM 1681 CE1 TYR A 111 -22.213 -9.599 -50.128 1.00 42.35 C ATOM 1682 CE2 TYR A 111 -24.143 -10.079 -51.461 1.00 51.32 C ATOM 1683 CZ TYR A 111 -23.280 -9.166 -50.888 1.00 75.40 C ATOM 1684 OH TYR A 111 -23.482 -7.813 -51.073 1.00 34.13 O ATOM 0 H TYR A 111 -22.037 -12.564 -48.044 1.00 14.34 H new ATOM 0 HA TYR A 111 -24.313 -13.827 -49.065 1.00 51.25 H new ATOM 0 HB2 TYR A 111 -21.546 -13.568 -50.312 1.00 51.01 H new ATOM 0 HB3 TYR A 111 -23.028 -13.919 -51.180 1.00 51.01 H new ATOM 0 HD1 TYR A 111 -21.167 -11.288 -49.354 1.00 62.24 H new ATOM 0 HD2 TYR A 111 -24.610 -12.145 -51.721 1.00 14.33 H new ATOM 0 HE1 TYR A 111 -21.542 -8.883 -49.677 1.00 42.35 H new ATOM 0 HE2 TYR A 111 -24.979 -9.738 -52.054 1.00 51.32 H new ATOM 0 HH TYR A 111 -24.274 -7.674 -51.633 1.00 34.13 H new ATOM 1694 N PRO A 112 -21.698 -15.927 -48.739 1.00 71.14 N ATOM 1695 CA PRO A 112 -21.364 -17.342 -48.610 1.00 74.05 C ATOM 1696 C PRO A 112 -21.290 -17.787 -47.141 1.00 44.53 C ATOM 1697 O PRO A 112 -20.920 -16.998 -46.273 1.00 35.22 O ATOM 1698 CB PRO A 112 -19.981 -17.393 -49.266 1.00 3.14 C ATOM 1699 CG PRO A 112 -19.352 -16.066 -48.941 1.00 55.31 C ATOM 1700 CD PRO A 112 -20.481 -15.101 -48.613 1.00 34.32 C ATOM 0 HA PRO A 112 -22.104 -18.004 -49.060 1.00 74.05 H new ATOM 0 HB2 PRO A 112 -19.387 -18.219 -48.874 1.00 3.14 H new ATOM 0 HB3 PRO A 112 -20.059 -17.540 -50.343 1.00 3.14 H new ATOM 0 HG2 PRO A 112 -18.669 -16.160 -48.097 1.00 55.31 H new ATOM 0 HG3 PRO A 112 -18.767 -15.701 -49.785 1.00 55.31 H new ATOM 0 HD2 PRO A 112 -20.378 -14.691 -47.608 1.00 34.32 H new ATOM 0 HD3 PRO A 112 -20.498 -14.256 -49.302 1.00 34.32 H new ATOM 1708 N PRO A 113 -21.624 -19.062 -46.844 1.00 75.52 N ATOM 1709 CA PRO A 113 -21.550 -19.605 -45.473 1.00 14.13 C ATOM 1710 C PRO A 113 -20.143 -19.481 -44.880 1.00 51.33 C ATOM 1711 O PRO A 113 -19.959 -19.521 -43.660 1.00 50.55 O ATOM 1712 CB PRO A 113 -21.942 -21.083 -45.650 1.00 71.32 C ATOM 1713 CG PRO A 113 -22.727 -21.117 -46.921 1.00 43.15 C ATOM 1714 CD PRO A 113 -22.111 -20.067 -47.806 1.00 14.23 C ATOM 0 HA PRO A 113 -22.197 -19.066 -44.781 1.00 14.13 H new ATOM 0 HB2 PRO A 113 -21.061 -21.722 -45.711 1.00 71.32 H new ATOM 0 HB3 PRO A 113 -22.536 -21.439 -44.808 1.00 71.32 H new ATOM 0 HG2 PRO A 113 -22.676 -22.101 -47.387 1.00 43.15 H new ATOM 0 HG3 PRO A 113 -23.780 -20.906 -46.737 1.00 43.15 H new ATOM 0 HD2 PRO A 113 -21.299 -20.474 -48.409 1.00 14.23 H new ATOM 0 HD3 PRO A 113 -22.840 -19.644 -48.497 1.00 14.23 H new ATOM 1722 N VAL A 114 -19.154 -19.327 -45.760 1.00 63.42 N ATOM 1723 CA VAL A 114 -17.763 -19.157 -45.348 1.00 23.21 C ATOM 1724 C VAL A 114 -17.577 -17.814 -44.635 1.00 74.31 C ATOM 1725 O VAL A 114 -16.713 -17.668 -43.771 1.00 2.15 O ATOM 1726 CB VAL A 114 -16.807 -19.238 -46.568 1.00 34.22 C ATOM 1727 CG1 VAL A 114 -15.344 -19.125 -46.136 1.00 33.32 C ATOM 1728 CG2 VAL A 114 -17.046 -20.530 -47.351 1.00 53.14 C ATOM 0 H VAL A 114 -19.294 -19.317 -46.770 1.00 63.42 H new ATOM 0 HA VAL A 114 -17.518 -19.966 -44.660 1.00 23.21 H new ATOM 0 HB VAL A 114 -17.024 -18.393 -47.222 1.00 34.22 H new ATOM 0 HG11 VAL A 114 -14.700 -19.185 -47.013 1.00 33.32 H new ATOM 0 HG12 VAL A 114 -15.185 -18.170 -45.634 1.00 33.32 H new ATOM 0 HG13 VAL A 114 -15.103 -19.939 -45.452 1.00 33.32 H new ATOM 0 HG21 VAL A 114 -16.367 -20.570 -48.203 1.00 53.14 H new ATOM 0 HG22 VAL A 114 -16.865 -21.387 -46.702 1.00 53.14 H new ATOM 0 HG23 VAL A 114 -18.076 -20.555 -47.706 1.00 53.14 H new ATOM 1738 N ILE A 115 -18.404 -16.838 -45.005 1.00 51.04 N ATOM 1739 CA ILE A 115 -18.398 -15.524 -44.369 1.00 15.41 C ATOM 1740 C ILE A 115 -19.675 -15.360 -43.545 1.00 5.40 C ATOM 1741 O ILE A 115 -20.740 -15.070 -44.094 1.00 35.31 O ATOM 1742 CB ILE A 115 -18.294 -14.377 -45.413 1.00 64.33 C ATOM 1743 CG1 ILE A 115 -17.019 -14.532 -46.265 1.00 53.33 C ATOM 1744 CG2 ILE A 115 -18.321 -13.010 -44.721 1.00 50.30 C ATOM 1745 CD1 ILE A 115 -15.732 -14.520 -45.462 1.00 54.20 C ATOM 0 H ILE A 115 -19.093 -16.936 -45.750 1.00 51.04 H new ATOM 0 HA ILE A 115 -17.521 -15.462 -43.724 1.00 15.41 H new ATOM 0 HB ILE A 115 -19.157 -14.439 -46.076 1.00 64.33 H new ATOM 0 HG12 ILE A 115 -17.079 -15.467 -46.822 1.00 53.33 H new ATOM 0 HG13 ILE A 115 -16.985 -13.726 -46.998 1.00 53.33 H new ATOM 0 HG21 ILE A 115 -18.247 -12.222 -45.470 1.00 50.30 H new ATOM 0 HG22 ILE A 115 -19.255 -12.900 -44.169 1.00 50.30 H new ATOM 0 HG23 ILE A 115 -17.481 -12.935 -44.031 1.00 50.30 H new ATOM 0 HD11 ILE A 115 -14.882 -14.634 -46.135 1.00 54.20 H new ATOM 0 HD12 ILE A 115 -15.646 -13.575 -44.926 1.00 54.20 H new ATOM 0 HD13 ILE A 115 -15.742 -15.343 -44.747 1.00 54.20 H new ATOM 1757 N PRO A 116 -19.586 -15.581 -42.218 1.00 1.54 N ATOM 1758 CA PRO A 116 -20.752 -15.534 -41.325 1.00 4.42 C ATOM 1759 C PRO A 116 -21.524 -14.215 -41.429 1.00 1.54 C ATOM 1760 O PRO A 116 -20.924 -13.147 -41.560 1.00 44.24 O ATOM 1761 CB PRO A 116 -20.138 -15.694 -39.924 1.00 0.11 C ATOM 1762 CG PRO A 116 -18.842 -16.394 -40.156 1.00 2.34 C ATOM 1763 CD PRO A 116 -18.343 -15.894 -41.484 1.00 73.41 C ATOM 0 HA PRO A 116 -21.483 -16.303 -41.575 1.00 4.42 H new ATOM 0 HB2 PRO A 116 -19.985 -14.726 -39.446 1.00 0.11 H new ATOM 0 HB3 PRO A 116 -20.790 -16.274 -39.270 1.00 0.11 H new ATOM 0 HG2 PRO A 116 -18.130 -16.173 -39.361 1.00 2.34 H new ATOM 0 HG3 PRO A 116 -18.978 -17.475 -40.170 1.00 2.34 H new ATOM 0 HD2 PRO A 116 -17.710 -15.014 -41.370 1.00 73.41 H new ATOM 0 HD3 PRO A 116 -17.750 -16.648 -42.001 1.00 73.41 H new ATOM 1771 N PRO A 117 -22.869 -14.270 -41.385 1.00 32.11 N ATOM 1772 CA PRO A 117 -23.704 -13.065 -41.383 1.00 23.42 C ATOM 1773 C PRO A 117 -23.428 -12.199 -40.152 1.00 61.41 C ATOM 1774 O PRO A 117 -23.193 -12.724 -39.058 1.00 22.34 O ATOM 1775 CB PRO A 117 -25.144 -13.612 -41.358 1.00 44.33 C ATOM 1776 CG PRO A 117 -25.026 -15.026 -41.830 1.00 52.33 C ATOM 1777 CD PRO A 117 -23.679 -15.501 -41.356 1.00 32.41 C ATOM 0 HA PRO A 117 -23.510 -12.424 -42.243 1.00 23.42 H new ATOM 0 HB2 PRO A 117 -25.567 -13.564 -40.355 1.00 44.33 H new ATOM 0 HB3 PRO A 117 -25.799 -13.032 -42.008 1.00 44.33 H new ATOM 0 HG2 PRO A 117 -25.825 -15.644 -41.421 1.00 52.33 H new ATOM 0 HG3 PRO A 117 -25.102 -15.084 -42.916 1.00 52.33 H new ATOM 0 HD2 PRO A 117 -23.730 -15.928 -40.354 1.00 32.41 H new ATOM 0 HD3 PRO A 117 -23.269 -16.271 -42.010 1.00 32.41 H new ATOM 1785 N LYS A 118 -23.453 -10.879 -40.343 1.00 12.23 N ATOM 1786 CA LYS A 118 -23.177 -9.912 -39.276 1.00 22.13 C ATOM 1787 C LYS A 118 -21.741 -10.038 -38.758 1.00 41.51 C ATOM 1788 O LYS A 118 -21.444 -9.659 -37.619 1.00 20.11 O ATOM 1789 CB LYS A 118 -24.181 -10.075 -38.125 1.00 64.12 C ATOM 1790 CG LYS A 118 -25.619 -9.749 -38.515 1.00 0.22 C ATOM 1791 CD LYS A 118 -26.571 -9.913 -37.335 1.00 12.22 C ATOM 1792 CE LYS A 118 -27.988 -9.474 -37.683 1.00 54.44 C ATOM 1793 NZ LYS A 118 -28.909 -9.610 -36.521 1.00 73.32 N ATOM 0 H LYS A 118 -23.665 -10.448 -41.243 1.00 12.23 H new ATOM 0 HA LYS A 118 -23.290 -8.914 -39.699 1.00 22.13 H new ATOM 0 HB2 LYS A 118 -24.137 -11.101 -37.759 1.00 64.12 H new ATOM 0 HB3 LYS A 118 -23.882 -9.429 -37.300 1.00 64.12 H new ATOM 0 HG2 LYS A 118 -25.673 -8.726 -38.887 1.00 0.22 H new ATOM 0 HG3 LYS A 118 -25.933 -10.402 -39.330 1.00 0.22 H new ATOM 0 HD2 LYS A 118 -26.581 -10.956 -37.019 1.00 12.22 H new ATOM 0 HD3 LYS A 118 -26.207 -9.328 -36.491 1.00 12.22 H new ATOM 0 HE2 LYS A 118 -27.976 -8.437 -38.018 1.00 54.44 H new ATOM 0 HE3 LYS A 118 -28.360 -10.073 -38.514 1.00 54.44 H new ATOM 0 HZ1 LYS A 118 -29.863 -9.302 -36.797 1.00 73.32 H new ATOM 0 HZ2 LYS A 118 -28.940 -10.604 -36.217 1.00 73.32 H new ATOM 0 HZ3 LYS A 118 -28.567 -9.019 -35.736 1.00 73.32 H new ATOM 1807 N ALA A 119 -20.845 -10.538 -39.607 1.00 25.12 N ATOM 1808 CA ALA A 119 -19.444 -10.707 -39.228 1.00 55.24 C ATOM 1809 C ALA A 119 -18.649 -9.430 -39.486 1.00 12.24 C ATOM 1810 O ALA A 119 -18.796 -8.792 -40.530 1.00 74.12 O ATOM 1811 CB ALA A 119 -18.813 -11.876 -39.978 1.00 71.50 C ATOM 0 H ALA A 119 -21.063 -10.832 -40.559 1.00 25.12 H new ATOM 0 HA ALA A 119 -19.416 -10.923 -38.160 1.00 55.24 H new ATOM 0 HB1 ALA A 119 -17.770 -11.980 -39.678 1.00 71.50 H new ATOM 0 HB2 ALA A 119 -19.352 -12.793 -39.742 1.00 71.50 H new ATOM 0 HB3 ALA A 119 -18.865 -11.691 -41.051 1.00 71.50 H new ATOM 1817 N THR A 120 -17.818 -9.064 -38.520 1.00 51.12 N ATOM 1818 CA THR A 120 -16.926 -7.920 -38.651 1.00 71.23 C ATOM 1819 C THR A 120 -15.616 -8.361 -39.308 1.00 20.24 C ATOM 1820 O THR A 120 -15.107 -9.444 -39.008 1.00 3.02 O ATOM 1821 CB THR A 120 -16.646 -7.295 -37.263 1.00 65.31 C ATOM 1822 OG1 THR A 120 -17.892 -6.947 -36.636 1.00 65.31 O ATOM 1823 CG2 THR A 120 -15.765 -6.052 -37.369 1.00 44.33 C ATOM 0 H THR A 120 -17.743 -9.550 -37.626 1.00 51.12 H new ATOM 0 HA THR A 120 -17.403 -7.167 -39.278 1.00 71.23 H new ATOM 0 HB THR A 120 -16.113 -8.033 -36.663 1.00 65.31 H new ATOM 0 HG1 THR A 120 -17.717 -6.553 -35.756 1.00 65.31 H new ATOM 0 HG21 THR A 120 -15.592 -5.643 -36.374 1.00 44.33 H new ATOM 0 HG22 THR A 120 -14.811 -6.320 -37.822 1.00 44.33 H new ATOM 0 HG23 THR A 120 -16.263 -5.305 -37.987 1.00 44.33 H new ATOM 1831 N LEU A 121 -15.077 -7.533 -40.199 1.00 2.41 N ATOM 1832 CA LEU A 121 -13.887 -7.899 -40.975 1.00 73.03 C ATOM 1833 C LEU A 121 -12.718 -6.981 -40.631 1.00 70.13 C ATOM 1834 O LEU A 121 -12.903 -5.951 -39.992 1.00 70.31 O ATOM 1835 CB LEU A 121 -14.197 -7.841 -42.488 1.00 5.25 C ATOM 1836 CG LEU A 121 -14.194 -9.196 -43.223 1.00 44.23 C ATOM 1837 CD1 LEU A 121 -12.806 -9.831 -43.186 1.00 63.11 C ATOM 1838 CD2 LEU A 121 -15.238 -10.143 -42.631 1.00 11.54 C ATOM 0 H LEU A 121 -15.443 -6.603 -40.404 1.00 2.41 H new ATOM 0 HA LEU A 121 -13.605 -8.920 -40.717 1.00 73.03 H new ATOM 0 HB2 LEU A 121 -15.174 -7.378 -42.622 1.00 5.25 H new ATOM 0 HB3 LEU A 121 -13.466 -7.188 -42.965 1.00 5.25 H new ATOM 0 HG LEU A 121 -14.457 -9.013 -44.265 1.00 44.23 H new ATOM 0 HD11 LEU A 121 -12.829 -10.786 -43.711 1.00 63.11 H new ATOM 0 HD12 LEU A 121 -12.089 -9.168 -43.670 1.00 63.11 H new ATOM 0 HD13 LEU A 121 -12.508 -9.993 -42.150 1.00 63.11 H new ATOM 0 HD21 LEU A 121 -15.215 -11.091 -43.168 1.00 11.54 H new ATOM 0 HD22 LEU A 121 -15.016 -10.316 -41.578 1.00 11.54 H new ATOM 0 HD23 LEU A 121 -16.228 -9.697 -42.725 1.00 11.54 H new ATOM 1850 N VAL A 122 -11.513 -7.372 -41.035 1.00 31.41 N ATOM 1851 CA VAL A 122 -10.328 -6.539 -40.863 1.00 43.23 C ATOM 1852 C VAL A 122 -9.568 -6.444 -42.180 1.00 70.11 C ATOM 1853 O VAL A 122 -9.349 -7.451 -42.854 1.00 44.44 O ATOM 1854 CB VAL A 122 -9.388 -7.097 -39.761 1.00 61.11 C ATOM 1855 CG1 VAL A 122 -8.100 -6.281 -39.673 1.00 50.24 C ATOM 1856 CG2 VAL A 122 -10.098 -7.128 -38.407 1.00 74.23 C ATOM 0 H VAL A 122 -11.331 -8.268 -41.487 1.00 31.41 H new ATOM 0 HA VAL A 122 -10.661 -5.549 -40.552 1.00 43.23 H new ATOM 0 HB VAL A 122 -9.123 -8.119 -40.034 1.00 61.11 H new ATOM 0 HG11 VAL A 122 -7.460 -6.694 -38.893 1.00 50.24 H new ATOM 0 HG12 VAL A 122 -7.578 -6.321 -40.629 1.00 50.24 H new ATOM 0 HG13 VAL A 122 -8.341 -5.245 -39.434 1.00 50.24 H new ATOM 0 HG21 VAL A 122 -9.420 -7.523 -37.650 1.00 74.23 H new ATOM 0 HG22 VAL A 122 -10.401 -6.118 -38.132 1.00 74.23 H new ATOM 0 HG23 VAL A 122 -10.979 -7.766 -38.473 1.00 74.23 H new ATOM 1866 N PHE A 123 -9.186 -5.235 -42.560 1.00 33.02 N ATOM 1867 CA PHE A 123 -8.431 -5.017 -43.786 1.00 14.15 C ATOM 1868 C PHE A 123 -7.284 -4.052 -43.538 1.00 24.01 C ATOM 1869 O PHE A 123 -7.489 -2.951 -43.018 1.00 14.25 O ATOM 1870 CB PHE A 123 -9.342 -4.477 -44.902 1.00 30.11 C ATOM 1871 CG PHE A 123 -10.250 -5.522 -45.507 1.00 10.14 C ATOM 1872 CD1 PHE A 123 -11.452 -5.861 -44.902 1.00 51.11 C ATOM 1873 CD2 PHE A 123 -9.893 -6.171 -46.682 1.00 52.10 C ATOM 1874 CE1 PHE A 123 -12.278 -6.821 -45.457 1.00 23.22 C ATOM 1875 CE2 PHE A 123 -10.717 -7.131 -47.240 1.00 34.12 C ATOM 1876 CZ PHE A 123 -11.910 -7.457 -46.625 1.00 24.21 C ATOM 0 H PHE A 123 -9.387 -4.384 -42.034 1.00 33.02 H new ATOM 0 HA PHE A 123 -8.023 -5.976 -44.107 1.00 14.15 H new ATOM 0 HB2 PHE A 123 -9.952 -3.668 -44.501 1.00 30.11 H new ATOM 0 HB3 PHE A 123 -8.722 -4.048 -45.689 1.00 30.11 H new ATOM 0 HD1 PHE A 123 -11.746 -5.369 -43.987 1.00 51.11 H new ATOM 0 HD2 PHE A 123 -8.960 -5.923 -47.166 1.00 52.10 H new ATOM 0 HE1 PHE A 123 -13.212 -7.073 -44.976 1.00 23.22 H new ATOM 0 HE2 PHE A 123 -10.428 -7.625 -48.156 1.00 34.12 H new ATOM 0 HZ PHE A 123 -12.554 -8.209 -47.058 1.00 24.21 H new ATOM 1886 N GLU A 124 -6.075 -4.475 -43.882 1.00 64.31 N ATOM 1887 CA GLU A 124 -4.926 -3.592 -43.853 1.00 51.31 C ATOM 1888 C GLU A 124 -4.896 -2.823 -45.168 1.00 24.30 C ATOM 1889 O GLU A 124 -4.685 -3.407 -46.239 1.00 64.22 O ATOM 1890 CB GLU A 124 -3.625 -4.382 -43.633 1.00 15.04 C ATOM 1891 CG GLU A 124 -2.430 -3.512 -43.245 1.00 23.21 C ATOM 1892 CD GLU A 124 -1.198 -4.328 -42.881 1.00 12.02 C ATOM 1893 OE1 GLU A 124 -1.288 -5.171 -41.960 1.00 21.31 O ATOM 1894 OE2 GLU A 124 -0.139 -4.142 -43.515 1.00 32.21 O ATOM 0 H GLU A 124 -5.868 -5.427 -44.184 1.00 64.31 H new ATOM 0 HA GLU A 124 -5.008 -2.895 -43.019 1.00 51.31 H new ATOM 0 HB2 GLU A 124 -3.790 -5.124 -42.852 1.00 15.04 H new ATOM 0 HB3 GLU A 124 -3.384 -4.927 -44.546 1.00 15.04 H new ATOM 0 HG2 GLU A 124 -2.187 -2.846 -44.073 1.00 23.21 H new ATOM 0 HG3 GLU A 124 -2.705 -2.882 -42.399 1.00 23.21 H new ATOM 1901 N VAL A 125 -5.179 -1.529 -45.081 1.00 22.33 N ATOM 1902 CA VAL A 125 -5.297 -0.674 -46.254 1.00 0.42 C ATOM 1903 C VAL A 125 -4.016 0.128 -46.475 1.00 41.00 C ATOM 1904 O VAL A 125 -3.385 0.590 -45.519 1.00 20.15 O ATOM 1905 CB VAL A 125 -6.517 0.281 -46.132 1.00 20.05 C ATOM 1906 CG1 VAL A 125 -7.828 -0.495 -46.255 1.00 34.15 C ATOM 1907 CG2 VAL A 125 -6.479 1.042 -44.810 1.00 11.44 C ATOM 0 H VAL A 125 -5.333 -1.044 -44.197 1.00 22.33 H new ATOM 0 HA VAL A 125 -5.454 -1.320 -47.118 1.00 0.42 H new ATOM 0 HB VAL A 125 -6.462 1.001 -46.949 1.00 20.05 H new ATOM 0 HG11 VAL A 125 -8.668 0.194 -46.167 1.00 34.15 H new ATOM 0 HG12 VAL A 125 -7.867 -0.992 -47.224 1.00 34.15 H new ATOM 0 HG13 VAL A 125 -7.885 -1.241 -45.462 1.00 34.15 H new ATOM 0 HG21 VAL A 125 -7.342 1.704 -44.746 1.00 11.44 H new ATOM 0 HG22 VAL A 125 -6.503 0.334 -43.982 1.00 11.44 H new ATOM 0 HG23 VAL A 125 -5.564 1.632 -44.756 1.00 11.44 H new ATOM 1917 N GLU A 126 -3.644 0.281 -47.742 1.00 43.13 N ATOM 1918 CA GLU A 126 -2.390 0.924 -48.131 1.00 63.02 C ATOM 1919 C GLU A 126 -2.646 1.971 -49.215 1.00 75.21 C ATOM 1920 O GLU A 126 -3.246 1.663 -50.247 1.00 73.13 O ATOM 1921 CB GLU A 126 -1.417 -0.146 -48.648 1.00 51.44 C ATOM 1922 CG GLU A 126 -0.063 0.390 -49.104 1.00 43.20 C ATOM 1923 CD GLU A 126 0.855 -0.719 -49.603 1.00 3.30 C ATOM 1924 OE1 GLU A 126 0.638 -1.218 -50.728 1.00 32.43 O ATOM 1925 OE2 GLU A 126 1.780 -1.113 -48.866 1.00 33.31 O ATOM 0 H GLU A 126 -4.205 -0.038 -48.532 1.00 43.13 H new ATOM 0 HA GLU A 126 -1.955 1.425 -47.266 1.00 63.02 H new ATOM 0 HB2 GLU A 126 -1.255 -0.881 -47.860 1.00 51.44 H new ATOM 0 HB3 GLU A 126 -1.884 -0.670 -49.482 1.00 51.44 H new ATOM 0 HG2 GLU A 126 -0.212 1.121 -49.898 1.00 43.20 H new ATOM 0 HG3 GLU A 126 0.417 0.912 -48.276 1.00 43.20 H new ATOM 1932 N LEU A 127 -2.204 3.201 -48.974 1.00 44.31 N ATOM 1933 CA LEU A 127 -2.372 4.291 -49.933 1.00 71.21 C ATOM 1934 C LEU A 127 -1.070 4.502 -50.712 1.00 21.13 C ATOM 1935 O LEU A 127 -0.083 5.013 -50.169 1.00 72.31 O ATOM 1936 CB LEU A 127 -2.786 5.584 -49.197 1.00 2.35 C ATOM 1937 CG LEU A 127 -3.383 6.720 -50.062 1.00 62.44 C ATOM 1938 CD1 LEU A 127 -2.359 7.297 -51.030 1.00 31.13 C ATOM 1939 CD2 LEU A 127 -4.614 6.231 -50.820 1.00 41.12 C ATOM 0 H LEU A 127 -1.723 3.471 -48.116 1.00 44.31 H new ATOM 0 HA LEU A 127 -3.161 4.032 -50.639 1.00 71.21 H new ATOM 0 HB2 LEU A 127 -3.516 5.320 -48.432 1.00 2.35 H new ATOM 0 HB3 LEU A 127 -1.910 5.976 -48.680 1.00 2.35 H new ATOM 0 HG LEU A 127 -3.681 7.519 -49.383 1.00 62.44 H new ATOM 0 HD11 LEU A 127 -2.820 8.091 -51.617 1.00 31.13 H new ATOM 0 HD12 LEU A 127 -1.517 7.703 -50.470 1.00 31.13 H new ATOM 0 HD13 LEU A 127 -2.006 6.511 -51.697 1.00 31.13 H new ATOM 0 HD21 LEU A 127 -5.018 7.045 -51.422 1.00 41.12 H new ATOM 0 HD22 LEU A 127 -4.335 5.402 -51.471 1.00 41.12 H new ATOM 0 HD23 LEU A 127 -5.369 5.896 -50.109 1.00 41.12 H new ATOM 1951 N LEU A 128 -1.075 4.113 -51.986 1.00 14.43 N ATOM 1952 CA LEU A 128 0.098 4.265 -52.847 1.00 30.41 C ATOM 1953 C LEU A 128 0.123 5.654 -53.472 1.00 2.23 C ATOM 1954 O LEU A 128 1.170 6.301 -53.531 1.00 15.42 O ATOM 1955 CB LEU A 128 0.123 3.193 -53.954 1.00 73.21 C ATOM 1956 CG LEU A 128 0.360 1.743 -53.490 1.00 25.15 C ATOM 1957 CD1 LEU A 128 1.643 1.637 -52.666 1.00 61.42 C ATOM 1958 CD2 LEU A 128 -0.839 1.214 -52.709 1.00 51.52 C ATOM 0 H LEU A 128 -1.880 3.689 -52.446 1.00 14.43 H new ATOM 0 HA LEU A 128 0.984 4.136 -52.225 1.00 30.41 H new ATOM 0 HB2 LEU A 128 -0.826 3.231 -54.489 1.00 73.21 H new ATOM 0 HB3 LEU A 128 0.903 3.456 -54.669 1.00 73.21 H new ATOM 0 HG LEU A 128 0.479 1.122 -54.378 1.00 25.15 H new ATOM 0 HD11 LEU A 128 1.788 0.604 -52.350 1.00 61.42 H new ATOM 0 HD12 LEU A 128 2.492 1.954 -53.272 1.00 61.42 H new ATOM 0 HD13 LEU A 128 1.565 2.277 -51.787 1.00 61.42 H new ATOM 0 HD21 LEU A 128 -0.644 0.189 -52.394 1.00 51.52 H new ATOM 0 HD22 LEU A 128 -1.005 1.838 -51.831 1.00 51.52 H new ATOM 0 HD23 LEU A 128 -1.725 1.237 -53.343 1.00 51.52 H new ATOM 1970 N ALA A 129 -1.038 6.114 -53.933 1.00 4.43 N ATOM 1971 CA ALA A 129 -1.146 7.429 -54.565 1.00 1.24 C ATOM 1972 C ALA A 129 -2.575 7.948 -54.468 1.00 55.22 C ATOM 1973 O ALA A 129 -3.477 7.208 -54.077 1.00 1.51 O ATOM 1974 CB ALA A 129 -0.697 7.361 -56.023 1.00 14.11 C ATOM 0 H ALA A 129 -1.916 5.598 -53.881 1.00 4.43 H new ATOM 0 HA ALA A 129 -0.491 8.122 -54.037 1.00 1.24 H new ATOM 0 HB1 ALA A 129 -0.784 8.348 -56.477 1.00 14.11 H new ATOM 0 HB2 ALA A 129 0.341 7.031 -56.069 1.00 14.11 H new ATOM 0 HB3 ALA A 129 -1.327 6.655 -56.565 1.00 14.11 H new ATOM 1980 N VAL A 130 -2.772 9.218 -54.806 1.00 71.35 N ATOM 1981 CA VAL A 130 -4.101 9.825 -54.802 1.00 3.33 C ATOM 1982 C VAL A 130 -4.370 10.461 -56.170 1.00 10.44 C ATOM 1983 O VAL A 130 -4.128 11.680 -56.331 1.00 70.32 O ATOM 1984 CB VAL A 130 -4.249 10.893 -53.677 1.00 20.24 C ATOM 1985 CG1 VAL A 130 -5.690 11.405 -53.592 1.00 51.34 C ATOM 1986 CG2 VAL A 130 -3.790 10.345 -52.325 1.00 32.12 C ATOM 1987 OXT VAL A 130 -4.786 9.731 -57.093 1.00 0.00 O ATOM 0 H VAL A 130 -2.024 9.851 -55.088 1.00 71.35 H new ATOM 0 HA VAL A 130 -4.832 9.041 -54.604 1.00 3.33 H new ATOM 0 HB VAL A 130 -3.603 11.732 -53.934 1.00 20.24 H new ATOM 0 HG11 VAL A 130 -5.766 12.149 -52.799 1.00 51.34 H new ATOM 0 HG12 VAL A 130 -5.972 11.858 -54.543 1.00 51.34 H new ATOM 0 HG13 VAL A 130 -6.359 10.573 -53.374 1.00 51.34 H new ATOM 0 HG21 VAL A 130 -3.906 11.115 -51.562 1.00 32.12 H new ATOM 0 HG22 VAL A 130 -4.394 9.477 -52.060 1.00 32.12 H new ATOM 0 HG23 VAL A 130 -2.742 10.052 -52.388 1.00 32.12 H new