USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 THR OG1 : rot 180:sc= -0.431 USER MOD Set 1.2: A 71 GLN : amide:sc= 0.461 K(o=0.029,f=-0.84) USER MOD Single : A 25 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.074) USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0136) 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 -143:sc= -1.96! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.193 X(o=0.19,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc=-0.00831 (180deg=-0.099) USER MOD Single : A 49 HIS : no HE2:sc= -0.561 K(o=-0.21,f=-5.4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.841! X(o=-0.84!,f=-0.71) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 14:sc= 0.584 USER MOD Single : A 65 SER OG : rot 180:sc= -0.419 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 81 LYS NZ :NH3+ 164:sc= 0.719 (180deg=0.408) USER MOD Single : A 85 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.67) USER MOD Single : A 89 THR OG1 : rot -29:sc= 0.075 USER MOD Single : A 90 MET CE :methyl -107:sc= -1.45 (180deg=-3.18) USER MOD Single : A 91 THR OG1 : rot -120:sc= 0.206 USER MOD Single : A 95 LYS NZ :NH3+ -175:sc= 0.21 (180deg=0.105) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 106 TYR OH : rot 30:sc= 0 USER MOD Single : A 111 TYR OH : rot 15:sc= 0.408 USER MOD Single : A 118 LYS NZ :NH3+ -165:sc=-0.00659 (180deg=-0.134) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 345 N GLN A 25 -17.092 -2.938 -34.469 1.00 52.11 N ATOM 346 CA GLN A 25 -15.812 -2.402 -34.011 1.00 33.31 C ATOM 347 C GLN A 25 -15.241 -1.513 -35.107 1.00 11.54 C ATOM 348 O GLN A 25 -15.247 -1.895 -36.274 1.00 33.33 O ATOM 349 CB GLN A 25 -14.824 -3.536 -33.678 1.00 24.32 C ATOM 350 CG GLN A 25 -15.144 -4.297 -32.393 1.00 62.34 C ATOM 351 CD GLN A 25 -14.977 -3.438 -31.149 1.00 50.24 C ATOM 352 OE1 GLN A 25 -13.897 -3.370 -30.566 1.00 54.31 O ATOM 353 NE2 GLN A 25 -16.046 -2.775 -30.733 1.00 0.52 N ATOM 0 HA GLN A 25 -15.969 -1.824 -33.100 1.00 33.31 H new ATOM 0 HB2 GLN A 25 -14.807 -4.242 -34.509 1.00 24.32 H new ATOM 0 HB3 GLN A 25 -13.822 -3.115 -33.596 1.00 24.32 H new ATOM 0 HG2 GLN A 25 -16.168 -4.667 -32.440 1.00 62.34 H new ATOM 0 HG3 GLN A 25 -14.493 -5.168 -32.319 1.00 62.34 H new ATOM 0 HE21 GLN A 25 -16.926 -2.855 -31.242 1.00 0.52 H new ATOM 0 HE22 GLN A 25 -15.989 -2.184 -29.904 1.00 0.52 H new ATOM 362 N LEU A 26 -14.742 -0.341 -34.737 1.00 30.13 N ATOM 363 CA LEU A 26 -14.272 0.629 -35.719 1.00 12.14 C ATOM 364 C LEU A 26 -12.976 1.275 -35.241 1.00 51.43 C ATOM 365 O LEU A 26 -12.988 2.146 -34.373 1.00 61.15 O ATOM 366 CB LEU A 26 -15.351 1.697 -35.954 1.00 71.53 C ATOM 367 CG LEU A 26 -15.059 2.694 -37.087 1.00 4.02 C ATOM 368 CD1 LEU A 26 -15.054 1.989 -38.440 1.00 1.33 C ATOM 369 CD2 LEU A 26 -16.072 3.834 -37.073 1.00 14.44 C ATOM 0 H LEU A 26 -14.652 -0.039 -33.767 1.00 30.13 H new ATOM 0 HA LEU A 26 -14.075 0.117 -36.661 1.00 12.14 H new ATOM 0 HB2 LEU A 26 -16.294 1.195 -36.170 1.00 71.53 H new ATOM 0 HB3 LEU A 26 -15.492 2.256 -35.029 1.00 71.53 H new ATOM 0 HG LEU A 26 -14.068 3.117 -36.923 1.00 4.02 H new ATOM 0 HD11 LEU A 26 -14.845 2.714 -39.227 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -14.285 1.216 -38.445 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -16.028 1.533 -38.616 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -15.849 4.529 -37.882 1.00 14.44 H new ATOM 0 HD22 LEU A 26 -17.076 3.431 -37.208 1.00 14.44 H new ATOM 0 HD23 LEU A 26 -16.017 4.358 -36.119 1.00 14.44 H new ATOM 381 N GLU A 27 -11.859 0.825 -35.803 1.00 2.20 N ATOM 382 CA GLU A 27 -10.542 1.340 -35.445 1.00 14.02 C ATOM 383 C GLU A 27 -9.613 1.290 -36.648 1.00 65.33 C ATOM 384 O GLU A 27 -9.895 0.608 -37.635 1.00 60.33 O ATOM 385 CB GLU A 27 -9.910 0.527 -34.302 1.00 53.11 C ATOM 386 CG GLU A 27 -10.707 0.525 -33.007 1.00 1.14 C ATOM 387 CD GLU A 27 -9.947 -0.122 -31.863 1.00 4.22 C ATOM 388 OE1 GLU A 27 -9.886 -1.368 -31.811 1.00 35.30 O ATOM 389 OE2 GLU A 27 -9.399 0.621 -31.016 1.00 43.34 O ATOM 0 H GLU A 27 -11.841 0.096 -36.516 1.00 2.20 H new ATOM 0 HA GLU A 27 -10.676 2.370 -35.114 1.00 14.02 H new ATOM 0 HB2 GLU A 27 -9.781 -0.503 -34.635 1.00 53.11 H new ATOM 0 HB3 GLU A 27 -8.915 0.923 -34.100 1.00 53.11 H new ATOM 0 HG2 GLU A 27 -10.961 1.550 -32.738 1.00 1.14 H new ATOM 0 HG3 GLU A 27 -11.646 -0.006 -33.162 1.00 1.14 H new ATOM 396 N LYS A 28 -8.510 2.019 -36.552 1.00 20.23 N ATOM 397 CA LYS A 28 -7.457 1.985 -37.554 1.00 1.42 C ATOM 398 C LYS A 28 -6.106 2.163 -36.875 1.00 24.22 C ATOM 399 O LYS A 28 -5.861 3.175 -36.216 1.00 43.22 O ATOM 400 CB LYS A 28 -7.671 3.049 -38.655 1.00 13.42 C ATOM 401 CG LYS A 28 -7.954 4.475 -38.167 1.00 53.12 C ATOM 402 CD LYS A 28 -9.366 4.626 -37.599 1.00 50.34 C ATOM 403 CE LYS A 28 -9.773 6.087 -37.447 1.00 71.00 C ATOM 404 NZ LYS A 28 -8.848 6.850 -36.565 1.00 31.34 N ATOM 0 H LYS A 28 -8.321 2.652 -35.775 1.00 20.23 H new ATOM 0 HA LYS A 28 -7.486 1.015 -38.049 1.00 1.42 H new ATOM 0 HB2 LYS A 28 -6.783 3.072 -39.287 1.00 13.42 H new ATOM 0 HB3 LYS A 28 -8.502 2.730 -39.284 1.00 13.42 H new ATOM 0 HG2 LYS A 28 -7.226 4.746 -37.402 1.00 53.12 H new ATOM 0 HG3 LYS A 28 -7.821 5.172 -38.994 1.00 53.12 H new ATOM 0 HD2 LYS A 28 -10.075 4.119 -38.254 1.00 50.34 H new ATOM 0 HD3 LYS A 28 -9.420 4.133 -36.628 1.00 50.34 H new ATOM 0 HE2 LYS A 28 -9.802 6.557 -38.430 1.00 71.00 H new ATOM 0 HE3 LYS A 28 -10.783 6.139 -37.040 1.00 71.00 H new ATOM 0 HZ1 LYS A 28 -9.215 7.813 -36.427 1.00 31.34 H new ATOM 0 HZ2 LYS A 28 -8.774 6.372 -35.644 1.00 31.34 H new ATOM 0 HZ3 LYS A 28 -7.908 6.898 -37.007 1.00 31.34 H new ATOM 418 N LYS A 29 -5.246 1.162 -37.009 1.00 10.31 N ATOM 419 CA LYS A 29 -3.929 1.187 -36.388 1.00 4.51 C ATOM 420 C LYS A 29 -2.869 1.366 -37.467 1.00 32.22 C ATOM 421 O LYS A 29 -2.647 0.471 -38.281 1.00 50.14 O ATOM 422 CB LYS A 29 -3.684 -0.113 -35.602 1.00 34.44 C ATOM 423 CG LYS A 29 -2.553 -0.015 -34.581 1.00 63.44 C ATOM 424 CD LYS A 29 -2.898 0.977 -33.471 1.00 73.32 C ATOM 425 CE LYS A 29 -1.782 1.104 -32.443 1.00 34.34 C ATOM 426 NZ LYS A 29 -2.140 2.061 -31.364 1.00 5.41 N ATOM 0 H LYS A 29 -5.439 0.317 -37.546 1.00 10.31 H new ATOM 0 HA LYS A 29 -3.874 2.021 -35.689 1.00 4.51 H new ATOM 0 HB2 LYS A 29 -4.603 -0.393 -35.086 1.00 34.44 H new ATOM 0 HB3 LYS A 29 -3.457 -0.914 -36.305 1.00 34.44 H new ATOM 0 HG2 LYS A 29 -2.363 -0.997 -34.149 1.00 63.44 H new ATOM 0 HG3 LYS A 29 -1.635 0.297 -35.079 1.00 63.44 H new ATOM 0 HD2 LYS A 29 -3.098 1.955 -33.910 1.00 73.32 H new ATOM 0 HD3 LYS A 29 -3.813 0.658 -32.973 1.00 73.32 H new ATOM 0 HE2 LYS A 29 -1.573 0.126 -32.009 1.00 34.34 H new ATOM 0 HE3 LYS A 29 -0.868 1.435 -32.936 1.00 34.34 H new ATOM 0 HZ1 LYS A 29 -1.358 2.123 -30.681 1.00 5.41 H new ATOM 0 HZ2 LYS A 29 -2.315 3.000 -31.776 1.00 5.41 H new ATOM 0 HZ3 LYS A 29 -2.998 1.731 -30.878 1.00 5.41 H new ATOM 440 N VAL A 30 -2.236 2.530 -37.484 1.00 1.11 N ATOM 441 CA VAL A 30 -1.269 2.864 -38.523 1.00 62.04 C ATOM 442 C VAL A 30 0.044 2.098 -38.329 1.00 61.23 C ATOM 443 O VAL A 30 0.668 2.171 -37.270 1.00 52.32 O ATOM 444 CB VAL A 30 -0.999 4.391 -38.567 1.00 12.12 C ATOM 445 CG1 VAL A 30 -0.467 4.903 -37.231 1.00 33.10 C ATOM 446 CG2 VAL A 30 -0.042 4.740 -39.703 1.00 70.43 C ATOM 0 H VAL A 30 -2.375 3.262 -36.788 1.00 1.11 H new ATOM 0 HA VAL A 30 -1.702 2.563 -39.477 1.00 62.04 H new ATOM 0 HB VAL A 30 -1.950 4.889 -38.756 1.00 12.12 H new ATOM 0 HG11 VAL A 30 -0.289 5.976 -37.298 1.00 33.10 H new ATOM 0 HG12 VAL A 30 -1.199 4.704 -36.448 1.00 33.10 H new ATOM 0 HG13 VAL A 30 0.467 4.394 -36.992 1.00 33.10 H new ATOM 0 HG21 VAL A 30 0.132 5.816 -39.714 1.00 70.43 H new ATOM 0 HG22 VAL A 30 0.905 4.220 -39.554 1.00 70.43 H new ATOM 0 HG23 VAL A 30 -0.478 4.433 -40.654 1.00 70.43 H new ATOM 456 N LEU A 31 0.437 1.339 -39.349 1.00 3.31 N ATOM 457 CA LEU A 31 1.717 0.634 -39.341 1.00 51.44 C ATOM 458 C LEU A 31 2.801 1.552 -39.890 1.00 63.53 C ATOM 459 O LEU A 31 3.930 1.581 -39.391 1.00 71.22 O ATOM 460 CB LEU A 31 1.659 -0.657 -40.185 1.00 73.13 C ATOM 461 CG LEU A 31 0.653 -1.733 -39.727 1.00 33.10 C ATOM 462 CD1 LEU A 31 0.785 -2.009 -38.230 1.00 41.32 C ATOM 463 CD2 LEU A 31 -0.776 -1.341 -40.088 1.00 61.33 C ATOM 0 H LEU A 31 -0.115 1.196 -40.195 1.00 3.31 H new ATOM 0 HA LEU A 31 1.944 0.354 -38.312 1.00 51.44 H new ATOM 0 HB2 LEU A 31 1.421 -0.383 -41.213 1.00 73.13 H new ATOM 0 HB3 LEU A 31 2.654 -1.102 -40.196 1.00 73.13 H new ATOM 0 HG LEU A 31 0.889 -2.655 -40.258 1.00 33.10 H new ATOM 0 HD11 LEU A 31 0.064 -2.771 -37.936 1.00 41.32 H new ATOM 0 HD12 LEU A 31 1.794 -2.360 -38.012 1.00 41.32 H new ATOM 0 HD13 LEU A 31 0.592 -1.092 -37.673 1.00 41.32 H new ATOM 0 HD21 LEU A 31 -1.462 -2.119 -39.753 1.00 61.33 H new ATOM 0 HD22 LEU A 31 -1.029 -0.399 -39.601 1.00 61.33 H new ATOM 0 HD23 LEU A 31 -0.859 -1.225 -41.169 1.00 61.33 H new ATOM 475 N THR A 32 2.435 2.314 -40.914 1.00 73.42 N ATOM 476 CA THR A 32 3.363 3.224 -41.574 1.00 63.14 C ATOM 477 C THR A 32 2.689 4.576 -41.811 1.00 74.03 C ATOM 478 O THR A 32 1.761 4.667 -42.616 1.00 24.43 O ATOM 479 CB THR A 32 3.836 2.634 -42.922 1.00 71.24 C ATOM 480 OG1 THR A 32 4.371 1.319 -42.710 1.00 42.12 O ATOM 481 CG2 THR A 32 4.894 3.518 -43.574 1.00 61.24 C ATOM 0 H THR A 32 1.494 2.319 -41.308 1.00 73.42 H new ATOM 0 HA THR A 32 4.230 3.361 -40.928 1.00 63.14 H new ATOM 0 HB THR A 32 2.977 2.583 -43.591 1.00 71.24 H new ATOM 0 HG1 THR A 32 4.669 0.945 -43.565 1.00 42.12 H new ATOM 0 HG21 THR A 32 5.206 3.075 -44.520 1.00 61.24 H new ATOM 0 HG22 THR A 32 4.478 4.509 -43.757 1.00 61.24 H new ATOM 0 HG23 THR A 32 5.756 3.603 -42.912 1.00 61.24 H new ATOM 489 N PRO A 33 3.127 5.633 -41.100 1.00 53.10 N ATOM 490 CA PRO A 33 2.520 6.965 -41.212 1.00 31.44 C ATOM 491 C PRO A 33 2.768 7.601 -42.582 1.00 3.51 C ATOM 492 O PRO A 33 3.868 7.504 -43.132 1.00 22.31 O ATOM 493 CB PRO A 33 3.214 7.769 -40.101 1.00 1.05 C ATOM 494 CG PRO A 33 4.516 7.076 -39.887 1.00 71.12 C ATOM 495 CD PRO A 33 4.248 5.614 -40.137 1.00 42.35 C ATOM 0 HA PRO A 33 1.435 6.932 -41.111 1.00 31.44 H new ATOM 0 HB2 PRO A 33 3.362 8.807 -40.398 1.00 1.05 H new ATOM 0 HB3 PRO A 33 2.617 7.780 -39.189 1.00 1.05 H new ATOM 0 HG2 PRO A 33 5.278 7.456 -40.568 1.00 71.12 H new ATOM 0 HG3 PRO A 33 4.884 7.239 -38.874 1.00 71.12 H new ATOM 0 HD2 PRO A 33 5.122 5.109 -40.548 1.00 42.35 H new ATOM 0 HD3 PRO A 33 3.980 5.091 -39.219 1.00 42.35 H new ATOM 503 N GLY A 34 1.741 8.245 -43.126 1.00 1.22 N ATOM 504 CA GLY A 34 1.861 8.900 -44.414 1.00 71.12 C ATOM 505 C GLY A 34 2.383 10.314 -44.287 1.00 51.22 C ATOM 506 O GLY A 34 2.911 10.693 -43.237 1.00 33.52 O ATOM 0 H GLY A 34 0.821 8.325 -42.693 1.00 1.22 H new ATOM 0 HA2 GLY A 34 2.530 8.323 -45.053 1.00 71.12 H new ATOM 0 HA3 GLY A 34 0.888 8.916 -44.904 1.00 71.12 H new ATOM 510 N ASP A 35 2.237 11.100 -45.351 1.00 1.32 N ATOM 511 CA ASP A 35 2.711 12.486 -45.355 1.00 65.45 C ATOM 512 C ASP A 35 1.962 13.322 -44.322 1.00 14.34 C ATOM 513 O ASP A 35 2.468 14.339 -43.850 1.00 32.43 O ATOM 514 CB ASP A 35 2.553 13.124 -46.742 1.00 64.24 C ATOM 515 CG ASP A 35 3.345 12.403 -47.816 1.00 72.41 C ATOM 516 OD1 ASP A 35 4.594 12.410 -47.745 1.00 4.21 O ATOM 517 OD2 ASP A 35 2.725 11.837 -48.740 1.00 51.11 O ATOM 0 H ASP A 35 1.795 10.804 -46.221 1.00 1.32 H new ATOM 0 HA ASP A 35 3.770 12.466 -45.097 1.00 65.45 H new ATOM 0 HB2 ASP A 35 1.498 13.128 -47.017 1.00 64.24 H new ATOM 0 HB3 ASP A 35 2.875 14.164 -46.697 1.00 64.24 H new ATOM 522 N GLY A 36 0.741 12.904 -43.997 1.00 33.03 N ATOM 523 CA GLY A 36 -0.065 13.606 -43.007 1.00 42.44 C ATOM 524 C GLY A 36 -0.710 14.869 -43.551 1.00 51.13 C ATOM 525 O GLY A 36 -1.791 15.264 -43.107 1.00 23.41 O ATOM 0 H GLY A 36 0.291 12.085 -44.405 1.00 33.03 H new ATOM 0 HA2 GLY A 36 -0.843 12.937 -42.640 1.00 42.44 H new ATOM 0 HA3 GLY A 36 0.562 13.864 -42.154 1.00 42.44 H new ATOM 529 N VAL A 37 -0.049 15.508 -44.515 1.00 62.44 N ATOM 530 CA VAL A 37 -0.569 16.723 -45.140 1.00 70.24 C ATOM 531 C VAL A 37 -1.360 16.390 -46.403 1.00 51.32 C ATOM 532 O VAL A 37 -2.224 17.161 -46.827 1.00 73.24 O ATOM 533 CB VAL A 37 0.570 17.718 -45.493 1.00 11.24 C ATOM 534 CG1 VAL A 37 1.302 18.173 -44.229 1.00 11.54 C ATOM 535 CG2 VAL A 37 1.545 17.098 -46.496 1.00 52.31 C ATOM 0 H VAL A 37 0.852 15.202 -44.882 1.00 62.44 H new ATOM 0 HA VAL A 37 -1.230 17.196 -44.414 1.00 70.24 H new ATOM 0 HB VAL A 37 0.122 18.595 -45.959 1.00 11.24 H new ATOM 0 HG11 VAL A 37 2.096 18.869 -44.499 1.00 11.54 H new ATOM 0 HG12 VAL A 37 0.598 18.667 -43.559 1.00 11.54 H new ATOM 0 HG13 VAL A 37 1.734 17.307 -43.727 1.00 11.54 H new ATOM 0 HG21 VAL A 37 2.333 17.814 -46.727 1.00 52.31 H new ATOM 0 HG22 VAL A 37 1.986 16.199 -46.066 1.00 52.31 H new ATOM 0 HG23 VAL A 37 1.011 16.839 -47.410 1.00 52.31 H new ATOM 545 N THR A 38 -1.069 15.235 -46.994 1.00 10.01 N ATOM 546 CA THR A 38 -1.735 14.801 -48.215 1.00 12.05 C ATOM 547 C THR A 38 -3.146 14.286 -47.909 1.00 25.34 C ATOM 548 O THR A 38 -3.349 13.099 -47.649 1.00 54.22 O ATOM 549 CB THR A 38 -0.899 13.718 -48.938 1.00 44.23 C ATOM 550 OG1 THR A 38 -0.395 12.767 -47.982 1.00 15.11 O ATOM 551 CG2 THR A 38 0.270 14.339 -49.699 1.00 33.03 C ATOM 0 H THR A 38 -0.371 14.579 -46.643 1.00 10.01 H new ATOM 0 HA THR A 38 -1.825 15.660 -48.879 1.00 12.05 H new ATOM 0 HB THR A 38 -1.549 13.214 -49.653 1.00 44.23 H new ATOM 0 HG1 THR A 38 0.506 12.486 -48.245 1.00 15.11 H new ATOM 0 HG21 THR A 38 0.839 13.553 -50.197 1.00 33.03 H new ATOM 0 HG22 THR A 38 -0.111 15.038 -50.443 1.00 33.03 H new ATOM 0 HG23 THR A 38 0.918 14.869 -49.001 1.00 33.03 H new ATOM 559 N LYS A 39 -4.107 15.205 -47.918 1.00 43.31 N ATOM 560 CA LYS A 39 -5.495 14.905 -47.566 1.00 13.11 C ATOM 561 C LYS A 39 -6.272 14.388 -48.781 1.00 41.21 C ATOM 562 O LYS A 39 -6.487 15.132 -49.740 1.00 63.14 O ATOM 563 CB LYS A 39 -6.162 16.179 -47.026 1.00 22.03 C ATOM 564 CG LYS A 39 -5.452 16.778 -45.813 1.00 14.54 C ATOM 565 CD LYS A 39 -5.903 18.209 -45.534 1.00 41.50 C ATOM 566 CE LYS A 39 -7.395 18.300 -45.228 1.00 4.21 C ATOM 567 NZ LYS A 39 -7.824 19.704 -44.999 1.00 32.51 N ATOM 0 H LYS A 39 -3.947 16.180 -48.170 1.00 43.31 H new ATOM 0 HA LYS A 39 -5.503 14.126 -46.804 1.00 13.11 H new ATOM 0 HB2 LYS A 39 -6.197 16.925 -47.820 1.00 22.03 H new ATOM 0 HB3 LYS A 39 -7.193 15.952 -46.757 1.00 22.03 H new ATOM 0 HG2 LYS A 39 -5.647 16.159 -44.937 1.00 14.54 H new ATOM 0 HG3 LYS A 39 -4.375 16.764 -45.980 1.00 14.54 H new ATOM 0 HD2 LYS A 39 -5.337 18.608 -44.692 1.00 41.50 H new ATOM 0 HD3 LYS A 39 -5.673 18.834 -46.397 1.00 41.50 H new ATOM 0 HE2 LYS A 39 -7.963 17.876 -46.056 1.00 4.21 H new ATOM 0 HE3 LYS A 39 -7.623 17.701 -44.346 1.00 4.21 H new ATOM 0 HZ1 LYS A 39 -8.843 19.726 -44.794 1.00 32.51 H new ATOM 0 HZ2 LYS A 39 -7.300 20.100 -44.193 1.00 32.51 H new ATOM 0 HZ3 LYS A 39 -7.629 20.270 -45.850 1.00 32.51 H new ATOM 581 N PRO A 40 -6.686 13.105 -48.770 1.00 42.33 N ATOM 582 CA PRO A 40 -7.514 12.521 -49.826 1.00 34.02 C ATOM 583 C PRO A 40 -8.998 12.844 -49.622 1.00 15.53 C ATOM 584 O PRO A 40 -9.607 12.420 -48.635 1.00 20.24 O ATOM 585 CB PRO A 40 -7.260 11.000 -49.697 1.00 14.44 C ATOM 586 CG PRO A 40 -6.301 10.835 -48.550 1.00 71.04 C ATOM 587 CD PRO A 40 -6.373 12.106 -47.745 1.00 13.23 C ATOM 0 HA PRO A 40 -7.263 12.913 -50.812 1.00 34.02 H new ATOM 0 HB2 PRO A 40 -8.190 10.464 -49.508 1.00 14.44 H new ATOM 0 HB3 PRO A 40 -6.840 10.595 -50.618 1.00 14.44 H new ATOM 0 HG2 PRO A 40 -6.571 9.973 -47.939 1.00 71.04 H new ATOM 0 HG3 PRO A 40 -5.288 10.663 -48.913 1.00 71.04 H new ATOM 0 HD2 PRO A 40 -7.143 12.057 -46.975 1.00 13.23 H new ATOM 0 HD3 PRO A 40 -5.431 12.322 -47.240 1.00 13.23 H new ATOM 595 N GLN A 41 -9.565 13.612 -50.546 1.00 71.30 N ATOM 596 CA GLN A 41 -10.982 13.983 -50.489 1.00 74.23 C ATOM 597 C GLN A 41 -11.796 13.164 -51.488 1.00 54.51 C ATOM 598 O GLN A 41 -11.242 12.377 -52.258 1.00 73.51 O ATOM 599 CB GLN A 41 -11.158 15.477 -50.790 1.00 32.32 C ATOM 600 CG GLN A 41 -10.624 15.889 -52.156 1.00 20.14 C ATOM 601 CD GLN A 41 -11.097 17.264 -52.592 1.00 75.11 C ATOM 602 OE1 GLN A 41 -10.460 18.277 -52.301 1.00 42.13 O ATOM 603 NE2 GLN A 41 -12.212 17.305 -53.306 1.00 32.25 N ATOM 0 H GLN A 41 -9.065 13.994 -51.349 1.00 71.30 H new ATOM 0 HA GLN A 41 -11.343 13.774 -49.482 1.00 74.23 H new ATOM 0 HB2 GLN A 41 -12.217 15.729 -50.732 1.00 32.32 H new ATOM 0 HB3 GLN A 41 -10.649 16.057 -50.020 1.00 32.32 H new ATOM 0 HG2 GLN A 41 -9.534 15.877 -52.132 1.00 20.14 H new ATOM 0 HG3 GLN A 41 -10.934 15.153 -52.898 1.00 20.14 H new ATOM 0 HE21 GLN A 41 -12.709 16.442 -53.525 1.00 32.25 H new ATOM 0 HE22 GLN A 41 -12.573 18.200 -53.637 1.00 32.25 H new ATOM 612 N ALA A 42 -13.113 13.339 -51.460 1.00 32.14 N ATOM 613 CA ALA A 42 -13.995 12.695 -52.426 1.00 64.43 C ATOM 614 C ALA A 42 -13.777 13.279 -53.823 1.00 53.00 C ATOM 615 O ALA A 42 -13.286 14.404 -53.967 1.00 74.42 O ATOM 616 CB ALA A 42 -15.450 12.847 -51.999 1.00 22.33 C ATOM 0 H ALA A 42 -13.594 13.923 -50.776 1.00 32.14 H new ATOM 0 HA ALA A 42 -13.756 11.632 -52.460 1.00 64.43 H new ATOM 0 HB1 ALA A 42 -16.096 12.361 -52.730 1.00 22.33 H new ATOM 0 HB2 ALA A 42 -15.593 12.383 -51.023 1.00 22.33 H new ATOM 0 HB3 ALA A 42 -15.703 13.906 -51.938 1.00 22.33 H new ATOM 622 N GLY A 43 -14.140 12.505 -54.844 1.00 22.23 N ATOM 623 CA GLY A 43 -13.952 12.933 -56.221 1.00 40.21 C ATOM 624 C GLY A 43 -12.511 12.783 -56.670 1.00 65.14 C ATOM 625 O GLY A 43 -12.071 13.451 -57.607 1.00 43.04 O ATOM 0 H GLY A 43 -14.564 11.583 -54.741 1.00 22.23 H new ATOM 0 HA2 GLY A 43 -14.598 12.347 -56.874 1.00 40.21 H new ATOM 0 HA3 GLY A 43 -14.257 13.975 -56.322 1.00 40.21 H new ATOM 629 N LYS A 44 -11.774 11.903 -55.997 1.00 15.02 N ATOM 630 CA LYS A 44 -10.360 11.676 -56.301 1.00 4.12 C ATOM 631 C LYS A 44 -10.131 10.246 -56.780 1.00 2.42 C ATOM 632 O LYS A 44 -10.675 9.298 -56.211 1.00 21.32 O ATOM 633 CB LYS A 44 -9.495 11.942 -55.057 1.00 74.43 C ATOM 634 CG LYS A 44 -9.477 13.399 -54.605 1.00 13.21 C ATOM 635 CD LYS A 44 -8.728 14.297 -55.584 1.00 25.44 C ATOM 636 CE LYS A 44 -8.655 15.731 -55.076 1.00 74.31 C ATOM 637 NZ LYS A 44 -7.831 16.596 -55.954 1.00 24.40 N ATOM 0 H LYS A 44 -12.134 11.331 -55.233 1.00 15.02 H new ATOM 0 HA LYS A 44 -10.073 12.365 -57.095 1.00 4.12 H new ATOM 0 HB2 LYS A 44 -9.859 11.324 -54.237 1.00 74.43 H new ATOM 0 HB3 LYS A 44 -8.473 11.626 -55.265 1.00 74.43 H new ATOM 0 HG2 LYS A 44 -10.501 13.757 -54.497 1.00 13.21 H new ATOM 0 HG3 LYS A 44 -9.010 13.467 -53.622 1.00 13.21 H new ATOM 0 HD2 LYS A 44 -7.720 13.911 -55.736 1.00 25.44 H new ATOM 0 HD3 LYS A 44 -9.227 14.277 -56.553 1.00 25.44 H new ATOM 0 HE2 LYS A 44 -9.662 16.142 -55.007 1.00 74.31 H new ATOM 0 HE3 LYS A 44 -8.238 15.737 -54.069 1.00 74.31 H new ATOM 0 HZ1 LYS A 44 -7.810 17.562 -55.569 1.00 24.40 H new ATOM 0 HZ2 LYS A 44 -6.862 16.221 -56.001 1.00 24.40 H new ATOM 0 HZ3 LYS A 44 -8.242 16.613 -56.909 1.00 24.40 H new ATOM 651 N LYS A 45 -9.332 10.097 -57.830 1.00 31.54 N ATOM 652 CA LYS A 45 -8.908 8.783 -58.292 1.00 2.24 C ATOM 653 C LYS A 45 -7.735 8.319 -57.438 1.00 43.32 C ATOM 654 O LYS A 45 -6.603 8.768 -57.625 1.00 1.42 O ATOM 655 CB LYS A 45 -8.512 8.841 -59.777 1.00 23.45 C ATOM 656 CG LYS A 45 -7.956 7.530 -60.334 1.00 51.53 C ATOM 657 CD LYS A 45 -8.943 6.370 -60.201 1.00 61.23 C ATOM 658 CE LYS A 45 -10.256 6.642 -60.927 1.00 43.20 C ATOM 659 NZ LYS A 45 -10.058 6.916 -62.376 1.00 55.24 N ATOM 0 H LYS A 45 -8.964 10.874 -58.379 1.00 31.54 H new ATOM 0 HA LYS A 45 -9.730 8.074 -58.194 1.00 2.24 H new ATOM 0 HB2 LYS A 45 -9.385 9.129 -60.362 1.00 23.45 H new ATOM 0 HB3 LYS A 45 -7.766 9.624 -59.911 1.00 23.45 H new ATOM 0 HG2 LYS A 45 -7.700 7.666 -61.385 1.00 51.53 H new ATOM 0 HG3 LYS A 45 -7.033 7.279 -59.811 1.00 51.53 H new ATOM 0 HD2 LYS A 45 -8.490 5.463 -60.601 1.00 61.23 H new ATOM 0 HD3 LYS A 45 -9.145 6.187 -59.146 1.00 61.23 H new ATOM 0 HE2 LYS A 45 -10.917 5.783 -60.810 1.00 43.20 H new ATOM 0 HE3 LYS A 45 -10.754 7.494 -60.464 1.00 43.20 H new ATOM 0 HZ1 LYS A 45 -10.982 6.960 -62.850 1.00 55.24 H new ATOM 0 HZ2 LYS A 45 -9.565 7.824 -62.493 1.00 55.24 H new ATOM 0 HZ3 LYS A 45 -9.488 6.155 -62.798 1.00 55.24 H new ATOM 673 N VAL A 46 -8.010 7.435 -56.488 1.00 62.24 N ATOM 674 CA VAL A 46 -7.005 7.019 -55.520 1.00 12.10 C ATOM 675 C VAL A 46 -6.506 5.606 -55.812 1.00 64.05 C ATOM 676 O VAL A 46 -7.275 4.732 -56.236 1.00 45.11 O ATOM 677 CB VAL A 46 -7.556 7.087 -54.067 1.00 33.35 C ATOM 678 CG1 VAL A 46 -7.936 8.524 -53.704 1.00 13.43 C ATOM 679 CG2 VAL A 46 -8.749 6.148 -53.885 1.00 33.14 C ATOM 0 H VAL A 46 -8.921 6.992 -56.367 1.00 62.24 H new ATOM 0 HA VAL A 46 -6.169 7.713 -55.611 1.00 12.10 H new ATOM 0 HB VAL A 46 -6.767 6.758 -53.391 1.00 33.35 H new ATOM 0 HG11 VAL A 46 -8.319 8.552 -52.684 1.00 13.43 H new ATOM 0 HG12 VAL A 46 -7.056 9.163 -53.779 1.00 13.43 H new ATOM 0 HG13 VAL A 46 -8.704 8.882 -54.390 1.00 13.43 H new ATOM 0 HG21 VAL A 46 -9.113 6.217 -52.860 1.00 33.14 H new ATOM 0 HG22 VAL A 46 -9.545 6.434 -54.573 1.00 33.14 H new ATOM 0 HG23 VAL A 46 -8.441 5.123 -54.092 1.00 33.14 H new ATOM 689 N THR A 47 -5.207 5.412 -55.606 1.00 20.33 N ATOM 690 CA THR A 47 -4.570 4.110 -55.729 1.00 43.45 C ATOM 691 C THR A 47 -4.256 3.568 -54.336 1.00 3.34 C ATOM 692 O THR A 47 -3.370 4.085 -53.640 1.00 53.32 O ATOM 693 CB THR A 47 -3.263 4.201 -56.554 1.00 31.33 C ATOM 694 OG1 THR A 47 -3.536 4.775 -57.841 1.00 10.14 O ATOM 695 CG2 THR A 47 -2.623 2.826 -56.735 1.00 54.21 C ATOM 0 H THR A 47 -4.564 6.161 -55.347 1.00 20.33 H new ATOM 0 HA THR A 47 -5.255 3.440 -56.248 1.00 43.45 H new ATOM 0 HB THR A 47 -2.565 4.835 -56.007 1.00 31.33 H new ATOM 0 HG1 THR A 47 -2.705 4.831 -58.357 1.00 10.14 H new ATOM 0 HG21 THR A 47 -1.708 2.925 -57.318 1.00 54.21 H new ATOM 0 HG22 THR A 47 -2.387 2.403 -55.758 1.00 54.21 H new ATOM 0 HG23 THR A 47 -3.317 2.168 -57.258 1.00 54.21 H new ATOM 703 N VAL A 48 -4.999 2.552 -53.922 1.00 1.43 N ATOM 704 CA VAL A 48 -4.850 1.976 -52.595 1.00 41.03 C ATOM 705 C VAL A 48 -4.288 0.561 -52.673 1.00 2.14 C ATOM 706 O VAL A 48 -4.148 -0.011 -53.756 1.00 5.01 O ATOM 707 CB VAL A 48 -6.203 1.944 -51.837 1.00 25.31 C ATOM 708 CG1 VAL A 48 -6.778 3.352 -51.693 1.00 2.44 C ATOM 709 CG2 VAL A 48 -7.199 1.025 -52.541 1.00 31.14 C ATOM 0 H VAL A 48 -5.717 2.107 -54.493 1.00 1.43 H new ATOM 0 HA VAL A 48 -4.153 2.612 -52.049 1.00 41.03 H new ATOM 0 HB VAL A 48 -6.021 1.547 -50.839 1.00 25.31 H new ATOM 0 HG11 VAL A 48 -7.727 3.305 -51.158 1.00 2.44 H new ATOM 0 HG12 VAL A 48 -6.078 3.976 -51.136 1.00 2.44 H new ATOM 0 HG13 VAL A 48 -6.940 3.782 -52.682 1.00 2.44 H new ATOM 0 HG21 VAL A 48 -8.140 1.019 -51.991 1.00 31.14 H new ATOM 0 HG22 VAL A 48 -7.373 1.386 -53.555 1.00 31.14 H new ATOM 0 HG23 VAL A 48 -6.795 0.013 -52.581 1.00 31.14 H new ATOM 719 N HIS A 49 -3.966 0.017 -51.514 1.00 0.12 N ATOM 720 CA HIS A 49 -3.493 -1.351 -51.379 1.00 21.40 C ATOM 721 C HIS A 49 -4.241 -2.001 -50.220 1.00 62.51 C ATOM 722 O HIS A 49 -4.360 -1.409 -49.148 1.00 12.42 O ATOM 723 CB HIS A 49 -1.975 -1.358 -51.136 1.00 65.53 C ATOM 724 CG HIS A 49 -1.383 -2.723 -50.943 1.00 3.22 C ATOM 725 ND1 HIS A 49 -0.294 -2.956 -50.132 1.00 4.14 N ATOM 726 CD2 HIS A 49 -1.722 -3.928 -51.467 1.00 44.34 C ATOM 727 CE1 HIS A 49 0.009 -4.238 -50.163 1.00 71.41 C ATOM 728 NE2 HIS A 49 -0.843 -4.854 -50.965 1.00 60.41 N ATOM 0 H HIS A 49 -4.026 0.518 -50.628 1.00 0.12 H new ATOM 0 HA HIS A 49 -3.683 -1.915 -52.292 1.00 21.40 H new ATOM 0 HB2 HIS A 49 -1.482 -0.878 -51.981 1.00 65.53 H new ATOM 0 HB3 HIS A 49 -1.758 -0.754 -50.255 1.00 65.53 H new ATOM 0 HD1 HIS A 49 0.201 -2.246 -49.592 1.00 4.14 H new ATOM 0 HD2 HIS A 49 -2.534 -4.122 -52.152 1.00 44.34 H new ATOM 0 HE1 HIS A 49 0.818 -4.707 -49.623 1.00 71.41 H new ATOM 737 N TYR A 50 -4.761 -3.205 -50.442 1.00 14.34 N ATOM 738 CA TYR A 50 -5.601 -3.874 -49.452 1.00 11.42 C ATOM 739 C TYR A 50 -5.108 -5.291 -49.171 1.00 70.24 C ATOM 740 O TYR A 50 -4.578 -5.962 -50.061 1.00 63.33 O ATOM 741 CB TYR A 50 -7.059 -3.903 -49.940 1.00 61.52 C ATOM 742 CG TYR A 50 -7.255 -4.605 -51.277 1.00 44.20 C ATOM 743 CD1 TYR A 50 -6.949 -3.967 -52.477 1.00 71.34 C ATOM 744 CD2 TYR A 50 -7.750 -5.904 -51.339 1.00 44.43 C ATOM 745 CE1 TYR A 50 -7.128 -4.602 -53.691 1.00 2.23 C ATOM 746 CE2 TYR A 50 -7.931 -6.544 -52.551 1.00 51.13 C ATOM 747 CZ TYR A 50 -7.619 -5.888 -53.723 1.00 62.13 C ATOM 748 OH TYR A 50 -7.795 -6.521 -54.936 1.00 33.15 O ATOM 0 H TYR A 50 -4.616 -3.738 -51.299 1.00 14.34 H new ATOM 0 HA TYR A 50 -5.544 -3.312 -48.520 1.00 11.42 H new ATOM 0 HB2 TYR A 50 -7.672 -4.400 -49.188 1.00 61.52 H new ATOM 0 HB3 TYR A 50 -7.423 -2.879 -50.023 1.00 61.52 H new ATOM 0 HD1 TYR A 50 -6.565 -2.958 -52.458 1.00 71.34 H new ATOM 0 HD2 TYR A 50 -7.997 -6.422 -50.424 1.00 44.43 H new ATOM 0 HE1 TYR A 50 -6.884 -4.092 -54.611 1.00 2.23 H new ATOM 0 HE2 TYR A 50 -8.315 -7.553 -52.580 1.00 51.13 H new ATOM 0 HH TYR A 50 -8.148 -7.423 -54.786 1.00 33.15 H new ATOM 758 N ASP A 51 -5.259 -5.715 -47.920 1.00 4.52 N ATOM 759 CA ASP A 51 -4.948 -7.084 -47.507 1.00 51.23 C ATOM 760 C ASP A 51 -6.035 -7.600 -46.561 1.00 52.23 C ATOM 761 O ASP A 51 -6.278 -7.007 -45.509 1.00 72.43 O ATOM 762 CB ASP A 51 -3.572 -7.122 -46.824 1.00 43.42 C ATOM 763 CG ASP A 51 -3.197 -8.501 -46.303 1.00 52.30 C ATOM 764 OD1 ASP A 51 -2.759 -9.348 -47.114 1.00 54.15 O ATOM 765 OD2 ASP A 51 -3.307 -8.734 -45.080 1.00 62.22 O ATOM 0 H ASP A 51 -5.600 -5.122 -47.163 1.00 4.52 H new ATOM 0 HA ASP A 51 -4.917 -7.729 -48.385 1.00 51.23 H new ATOM 0 HB2 ASP A 51 -2.813 -6.790 -47.533 1.00 43.42 H new ATOM 0 HB3 ASP A 51 -3.566 -6.414 -45.995 1.00 43.42 H new ATOM 770 N GLY A 52 -6.706 -8.683 -46.955 1.00 64.23 N ATOM 771 CA GLY A 52 -7.796 -9.231 -46.159 1.00 20.04 C ATOM 772 C GLY A 52 -7.295 -10.065 -44.996 1.00 41.33 C ATOM 773 O GLY A 52 -6.506 -10.994 -45.187 1.00 22.22 O ATOM 0 H GLY A 52 -6.513 -9.193 -47.817 1.00 64.23 H new ATOM 0 HA2 GLY A 52 -8.412 -8.416 -45.780 1.00 20.04 H new ATOM 0 HA3 GLY A 52 -8.435 -9.844 -46.795 1.00 20.04 H new ATOM 777 N ARG A 53 -7.771 -9.757 -43.792 1.00 44.32 N ATOM 778 CA ARG A 53 -7.266 -10.390 -42.580 1.00 1.42 C ATOM 779 C ARG A 53 -8.373 -10.536 -41.534 1.00 33.53 C ATOM 780 O ARG A 53 -9.326 -9.754 -41.505 1.00 63.13 O ATOM 781 CB ARG A 53 -6.112 -9.548 -42.022 1.00 71.31 C ATOM 782 CG ARG A 53 -5.241 -10.263 -40.991 1.00 52.10 C ATOM 783 CD ARG A 53 -4.000 -9.441 -40.659 1.00 42.02 C ATOM 784 NE ARG A 53 -3.362 -8.919 -41.872 1.00 21.24 N ATOM 785 CZ ARG A 53 -2.301 -8.115 -41.886 1.00 61.51 C ATOM 786 NH1 ARG A 53 -1.662 -7.826 -40.758 1.00 32.45 N ATOM 787 NH2 ARG A 53 -1.879 -7.612 -43.034 1.00 4.41 N ATOM 0 H ARG A 53 -8.508 -9.070 -43.631 1.00 44.32 H new ATOM 0 HA ARG A 53 -6.908 -11.390 -42.823 1.00 1.42 H new ATOM 0 HB2 ARG A 53 -5.481 -9.227 -42.851 1.00 71.31 H new ATOM 0 HB3 ARG A 53 -6.524 -8.647 -41.567 1.00 71.31 H new ATOM 0 HG2 ARG A 53 -5.818 -10.440 -40.083 1.00 52.10 H new ATOM 0 HG3 ARG A 53 -4.943 -11.239 -41.375 1.00 52.10 H new ATOM 0 HD2 ARG A 53 -4.275 -8.613 -40.006 1.00 42.02 H new ATOM 0 HD3 ARG A 53 -3.289 -10.058 -40.109 1.00 42.02 H new ATOM 0 HE ARG A 53 -3.760 -9.192 -42.771 1.00 21.24 H new ATOM 0 HH11 ARG A 53 -1.984 -8.221 -39.874 1.00 32.45 H new ATOM 0 HH12 ARG A 53 -0.850 -7.209 -40.776 1.00 32.45 H new ATOM 0 HH21 ARG A 53 -2.366 -7.841 -43.901 1.00 4.41 H new ATOM 0 HH22 ARG A 53 -1.067 -6.995 -43.053 1.00 4.41 H new ATOM 801 N PHE A 54 -8.250 -11.546 -40.681 1.00 54.13 N ATOM 802 CA PHE A 54 -9.201 -11.754 -39.596 1.00 71.03 C ATOM 803 C PHE A 54 -8.733 -11.009 -38.346 1.00 14.50 C ATOM 804 O PHE A 54 -7.528 -10.843 -38.140 1.00 62.12 O ATOM 805 CB PHE A 54 -9.346 -13.251 -39.287 1.00 75.12 C ATOM 806 CG PHE A 54 -9.915 -14.060 -40.427 1.00 4.21 C ATOM 807 CD1 PHE A 54 -11.286 -14.218 -40.567 1.00 43.03 C ATOM 808 CD2 PHE A 54 -9.078 -14.664 -41.358 1.00 10.32 C ATOM 809 CE1 PHE A 54 -11.810 -14.962 -41.609 1.00 64.24 C ATOM 810 CE2 PHE A 54 -9.597 -15.407 -42.399 1.00 10.31 C ATOM 811 CZ PHE A 54 -10.965 -15.557 -42.524 1.00 33.43 C ATOM 0 H PHE A 54 -7.499 -12.235 -40.720 1.00 54.13 H new ATOM 0 HA PHE A 54 -10.172 -11.366 -39.905 1.00 71.03 H new ATOM 0 HB2 PHE A 54 -8.368 -13.653 -39.022 1.00 75.12 H new ATOM 0 HB3 PHE A 54 -9.987 -13.371 -38.414 1.00 75.12 H new ATOM 0 HD1 PHE A 54 -11.952 -13.755 -39.854 1.00 43.03 H new ATOM 0 HD2 PHE A 54 -8.008 -14.550 -41.266 1.00 10.32 H new ATOM 0 HE1 PHE A 54 -12.879 -15.077 -41.706 1.00 64.24 H new ATOM 0 HE2 PHE A 54 -8.935 -15.871 -43.115 1.00 10.31 H new ATOM 0 HZ PHE A 54 -11.373 -16.139 -43.337 1.00 33.43 H new ATOM 821 N PRO A 55 -9.673 -10.555 -37.487 1.00 32.51 N ATOM 822 CA PRO A 55 -9.331 -9.896 -36.215 1.00 12.25 C ATOM 823 C PRO A 55 -8.538 -10.825 -35.293 1.00 74.21 C ATOM 824 O PRO A 55 -7.959 -10.394 -34.297 1.00 2.34 O ATOM 825 CB PRO A 55 -10.700 -9.544 -35.604 1.00 42.22 C ATOM 826 CG PRO A 55 -11.673 -10.440 -36.297 1.00 14.43 C ATOM 827 CD PRO A 55 -11.133 -10.632 -37.687 1.00 41.45 C ATOM 0 HA PRO A 55 -8.694 -9.023 -36.358 1.00 12.25 H new ATOM 0 HB2 PRO A 55 -10.707 -9.712 -34.527 1.00 42.22 H new ATOM 0 HB3 PRO A 55 -10.946 -8.494 -35.765 1.00 42.22 H new ATOM 0 HG2 PRO A 55 -11.765 -11.394 -35.778 1.00 14.43 H new ATOM 0 HG3 PRO A 55 -12.667 -9.994 -36.322 1.00 14.43 H new ATOM 0 HD2 PRO A 55 -11.433 -11.592 -38.108 1.00 41.45 H new ATOM 0 HD3 PRO A 55 -11.489 -9.860 -38.369 1.00 41.45 H new ATOM 835 N ASP A 56 -8.537 -12.107 -35.644 1.00 72.30 N ATOM 836 CA ASP A 56 -7.749 -13.120 -34.945 1.00 2.21 C ATOM 837 C ASP A 56 -6.254 -12.819 -35.072 1.00 31.10 C ATOM 838 O ASP A 56 -5.469 -13.102 -34.165 1.00 51.45 O ATOM 839 CB ASP A 56 -8.063 -14.505 -35.534 1.00 33.21 C ATOM 840 CG ASP A 56 -7.127 -15.595 -35.031 1.00 3.34 C ATOM 841 OD1 ASP A 56 -7.411 -16.192 -33.969 1.00 1.05 O ATOM 842 OD2 ASP A 56 -6.111 -15.871 -35.705 1.00 33.45 O ATOM 0 H ASP A 56 -9.083 -12.475 -36.423 1.00 72.30 H new ATOM 0 HA ASP A 56 -8.011 -13.108 -33.887 1.00 2.21 H new ATOM 0 HB2 ASP A 56 -9.090 -14.774 -35.287 1.00 33.21 H new ATOM 0 HB3 ASP A 56 -8.000 -14.454 -36.621 1.00 33.21 H new ATOM 847 N GLY A 57 -5.879 -12.234 -36.207 1.00 5.43 N ATOM 848 CA GLY A 57 -4.484 -11.943 -36.494 1.00 3.42 C ATOM 849 C GLY A 57 -4.043 -12.591 -37.788 1.00 52.54 C ATOM 850 O GLY A 57 -3.337 -11.981 -38.596 1.00 13.40 O ATOM 0 H GLY A 57 -6.527 -11.953 -36.943 1.00 5.43 H new ATOM 0 HA2 GLY A 57 -4.341 -10.864 -36.558 1.00 3.42 H new ATOM 0 HA3 GLY A 57 -3.860 -12.300 -35.675 1.00 3.42 H new ATOM 854 N LYS A 58 -4.469 -13.835 -37.987 1.00 22.23 N ATOM 855 CA LYS A 58 -4.170 -14.570 -39.209 1.00 64.14 C ATOM 856 C LYS A 58 -5.114 -14.143 -40.337 1.00 44.42 C ATOM 857 O LYS A 58 -6.203 -13.620 -40.085 1.00 32.12 O ATOM 858 CB LYS A 58 -4.275 -16.083 -38.954 1.00 2.04 C ATOM 859 CG LYS A 58 -4.087 -16.937 -40.206 1.00 64.13 C ATOM 860 CD LYS A 58 -4.000 -18.425 -39.888 1.00 2.12 C ATOM 861 CE LYS A 58 -2.702 -18.782 -39.176 1.00 51.22 C ATOM 862 NZ LYS A 58 -2.536 -20.250 -39.049 1.00 12.14 N ATOM 0 H LYS A 58 -5.027 -14.357 -37.311 1.00 22.23 H new ATOM 0 HA LYS A 58 -3.150 -14.340 -39.516 1.00 64.14 H new ATOM 0 HB2 LYS A 58 -3.527 -16.370 -38.215 1.00 2.04 H new ATOM 0 HB3 LYS A 58 -5.251 -16.301 -38.521 1.00 2.04 H new ATOM 0 HG2 LYS A 58 -4.918 -16.763 -40.889 1.00 64.13 H new ATOM 0 HG3 LYS A 58 -3.179 -16.625 -40.722 1.00 64.13 H new ATOM 0 HD2 LYS A 58 -4.846 -18.712 -39.264 1.00 2.12 H new ATOM 0 HD3 LYS A 58 -4.076 -18.998 -40.812 1.00 2.12 H new ATOM 0 HE2 LYS A 58 -1.858 -18.366 -39.726 1.00 51.22 H new ATOM 0 HE3 LYS A 58 -2.692 -18.327 -38.186 1.00 51.22 H new ATOM 0 HZ1 LYS A 58 -1.642 -20.457 -38.560 1.00 12.14 H new ATOM 0 HZ2 LYS A 58 -3.329 -20.643 -38.503 1.00 12.14 H new ATOM 0 HZ3 LYS A 58 -2.520 -20.681 -39.995 1.00 12.14 H new ATOM 876 N GLN A 59 -4.689 -14.369 -41.577 1.00 62.31 N ATOM 877 CA GLN A 59 -5.455 -13.967 -42.753 1.00 30.32 C ATOM 878 C GLN A 59 -5.697 -15.160 -43.677 1.00 0.55 C ATOM 879 O GLN A 59 -5.051 -16.200 -43.536 1.00 71.44 O ATOM 880 CB GLN A 59 -4.710 -12.848 -43.486 1.00 41.23 C ATOM 881 CG GLN A 59 -3.293 -13.213 -43.918 1.00 10.35 C ATOM 882 CD GLN A 59 -2.450 -11.985 -44.209 1.00 72.33 C ATOM 883 OE1 GLN A 59 -1.736 -11.487 -43.338 1.00 24.21 O ATOM 884 NE2 GLN A 59 -2.558 -11.467 -45.413 1.00 55.00 N ATOM 0 H GLN A 59 -3.808 -14.834 -41.795 1.00 62.31 H new ATOM 0 HA GLN A 59 -6.429 -13.596 -42.436 1.00 30.32 H new ATOM 0 HB2 GLN A 59 -5.284 -12.563 -44.368 1.00 41.23 H new ATOM 0 HB3 GLN A 59 -4.665 -11.973 -42.838 1.00 41.23 H new ATOM 0 HG2 GLN A 59 -2.816 -13.802 -43.135 1.00 10.35 H new ATOM 0 HG3 GLN A 59 -3.336 -13.841 -44.808 1.00 10.35 H new ATOM 0 HE21 GLN A 59 -3.160 -11.910 -46.107 1.00 55.00 H new ATOM 0 HE22 GLN A 59 -2.039 -10.622 -45.653 1.00 55.00 H new ATOM 893 N PHE A 60 -6.629 -15.008 -44.620 1.00 4.41 N ATOM 894 CA PHE A 60 -7.008 -16.105 -45.514 1.00 50.42 C ATOM 895 C PHE A 60 -6.101 -16.172 -46.745 1.00 13.13 C ATOM 896 O PHE A 60 -6.071 -17.190 -47.442 1.00 51.22 O ATOM 897 CB PHE A 60 -8.492 -15.998 -45.918 1.00 41.42 C ATOM 898 CG PHE A 60 -8.917 -14.645 -46.444 1.00 61.13 C ATOM 899 CD1 PHE A 60 -9.318 -13.640 -45.574 1.00 40.54 C ATOM 900 CD2 PHE A 60 -8.933 -14.385 -47.807 1.00 12.31 C ATOM 901 CE1 PHE A 60 -9.723 -12.409 -46.051 1.00 73.53 C ATOM 902 CE2 PHE A 60 -9.336 -13.153 -48.289 1.00 10.14 C ATOM 903 CZ PHE A 60 -9.731 -12.165 -47.410 1.00 13.11 C ATOM 0 H PHE A 60 -7.135 -14.138 -44.785 1.00 4.41 H new ATOM 0 HA PHE A 60 -6.874 -17.037 -44.965 1.00 50.42 H new ATOM 0 HB2 PHE A 60 -8.700 -16.749 -46.680 1.00 41.42 H new ATOM 0 HB3 PHE A 60 -9.107 -16.244 -45.052 1.00 41.42 H new ATOM 0 HD1 PHE A 60 -9.313 -13.824 -44.510 1.00 40.54 H new ATOM 0 HD2 PHE A 60 -8.627 -15.155 -48.500 1.00 12.31 H new ATOM 0 HE1 PHE A 60 -10.033 -11.638 -45.362 1.00 73.53 H new ATOM 0 HE2 PHE A 60 -9.342 -12.964 -49.352 1.00 10.14 H new ATOM 0 HZ PHE A 60 -10.046 -11.202 -47.785 1.00 13.11 H new ATOM 913 N ASP A 61 -5.374 -15.090 -47.009 1.00 72.13 N ATOM 914 CA ASP A 61 -4.341 -15.079 -48.048 1.00 21.25 C ATOM 915 C ASP A 61 -3.509 -13.811 -47.914 1.00 45.30 C ATOM 916 O ASP A 61 -3.992 -12.806 -47.392 1.00 20.32 O ATOM 917 CB ASP A 61 -4.939 -15.177 -49.468 1.00 71.44 C ATOM 918 CG ASP A 61 -5.366 -13.834 -50.049 1.00 31.53 C ATOM 919 OD1 ASP A 61 -6.536 -13.439 -49.865 1.00 45.10 O ATOM 920 OD2 ASP A 61 -4.538 -13.181 -50.722 1.00 42.41 O ATOM 0 H ASP A 61 -5.480 -14.203 -46.516 1.00 72.13 H new ATOM 0 HA ASP A 61 -3.711 -15.958 -47.907 1.00 21.25 H new ATOM 0 HB2 ASP A 61 -4.204 -15.632 -50.131 1.00 71.44 H new ATOM 0 HB3 ASP A 61 -5.802 -15.843 -49.444 1.00 71.44 H new ATOM 925 N SER A 62 -2.264 -13.862 -48.368 1.00 2.52 N ATOM 926 CA SER A 62 -1.371 -12.714 -48.287 1.00 22.13 C ATOM 927 C SER A 62 -1.497 -11.836 -49.537 1.00 22.13 C ATOM 928 O SER A 62 -0.902 -12.121 -50.576 1.00 25.20 O ATOM 929 CB SER A 62 0.078 -13.184 -48.098 1.00 73.41 C ATOM 930 OG SER A 62 0.207 -13.986 -46.932 1.00 51.41 O ATOM 0 H SER A 62 -1.849 -14.689 -48.797 1.00 2.52 H new ATOM 0 HA SER A 62 -1.658 -12.113 -47.424 1.00 22.13 H new ATOM 0 HB2 SER A 62 0.396 -13.753 -48.972 1.00 73.41 H new ATOM 0 HB3 SER A 62 0.737 -12.319 -48.023 1.00 73.41 H new ATOM 0 HG SER A 62 1.139 -14.274 -46.835 1.00 51.41 H new ATOM 936 N SER A 63 -2.299 -10.782 -49.436 1.00 2.54 N ATOM 937 CA SER A 63 -2.448 -9.817 -50.521 1.00 61.15 C ATOM 938 C SER A 63 -1.477 -8.649 -50.329 1.00 30.33 C ATOM 939 O SER A 63 -1.178 -7.901 -51.268 1.00 20.53 O ATOM 940 CB SER A 63 -3.894 -9.313 -50.579 1.00 5.12 C ATOM 941 OG SER A 63 -4.798 -10.386 -50.799 1.00 11.23 O ATOM 0 H SER A 63 -2.859 -10.573 -48.610 1.00 2.54 H new ATOM 0 HA SER A 63 -2.212 -10.307 -51.466 1.00 61.15 H new ATOM 0 HB2 SER A 63 -4.144 -8.807 -49.647 1.00 5.12 H new ATOM 0 HB3 SER A 63 -3.995 -8.578 -51.377 1.00 5.12 H new ATOM 0 HG SER A 63 -4.337 -11.238 -50.649 1.00 11.23 H new ATOM 947 N ARG A 64 -0.982 -8.503 -49.101 1.00 62.05 N ATOM 948 CA ARG A 64 -0.030 -7.450 -48.763 1.00 51.31 C ATOM 949 C ARG A 64 1.321 -7.692 -49.443 1.00 11.31 C ATOM 950 O ARG A 64 1.868 -6.794 -50.081 1.00 41.21 O ATOM 951 CB ARG A 64 0.134 -7.340 -47.234 1.00 11.31 C ATOM 952 CG ARG A 64 0.574 -8.635 -46.556 1.00 31.34 C ATOM 953 CD ARG A 64 0.538 -8.524 -45.035 1.00 61.25 C ATOM 954 NE ARG A 64 1.393 -7.446 -44.531 1.00 63.21 N ATOM 955 CZ ARG A 64 2.692 -7.588 -44.249 1.00 44.35 C ATOM 956 NH1 ARG A 64 3.304 -8.744 -44.477 1.00 70.45 N ATOM 957 NH2 ARG A 64 3.377 -6.572 -43.743 1.00 74.42 N ATOM 0 H ARG A 64 -1.229 -9.108 -48.318 1.00 62.05 H new ATOM 0 HA ARG A 64 -0.424 -6.503 -49.133 1.00 51.31 H new ATOM 0 HB2 ARG A 64 0.864 -6.562 -47.013 1.00 11.31 H new ATOM 0 HB3 ARG A 64 -0.814 -7.020 -46.800 1.00 11.31 H new ATOM 0 HG2 ARG A 64 -0.075 -9.450 -46.876 1.00 31.34 H new ATOM 0 HG3 ARG A 64 1.585 -8.887 -46.877 1.00 31.34 H new ATOM 0 HD2 ARG A 64 -0.488 -8.351 -44.711 1.00 61.25 H new ATOM 0 HD3 ARG A 64 0.856 -9.470 -44.597 1.00 61.25 H new ATOM 0 HE ARG A 64 0.970 -6.529 -44.386 1.00 63.21 H new ATOM 0 HH11 ARG A 64 2.783 -9.528 -44.869 1.00 70.45 H new ATOM 0 HH12 ARG A 64 4.295 -8.848 -44.260 1.00 70.45 H new ATOM 0 HH21 ARG A 64 2.913 -5.681 -43.568 1.00 74.42 H new ATOM 0 HH22 ARG A 64 4.368 -6.682 -43.528 1.00 74.42 H new ATOM 971 N SER A 65 1.823 -8.921 -49.349 1.00 10.31 N ATOM 972 CA SER A 65 3.149 -9.267 -49.858 1.00 43.24 C ATOM 973 C SER A 65 3.199 -9.226 -51.390 1.00 30.11 C ATOM 974 O SER A 65 4.251 -8.970 -51.980 1.00 40.21 O ATOM 975 CB SER A 65 3.535 -10.656 -49.339 1.00 13.31 C ATOM 976 OG SER A 65 2.439 -11.548 -49.443 1.00 52.33 O ATOM 0 H SER A 65 1.326 -9.702 -48.920 1.00 10.31 H new ATOM 0 HA SER A 65 3.865 -8.528 -49.499 1.00 43.24 H new ATOM 0 HB2 SER A 65 4.380 -11.041 -49.909 1.00 13.31 H new ATOM 0 HB3 SER A 65 3.857 -10.586 -48.300 1.00 13.31 H new ATOM 0 HG SER A 65 2.703 -12.431 -49.109 1.00 52.33 H new ATOM 982 N ARG A 66 2.056 -9.467 -52.026 1.00 45.31 N ATOM 983 CA ARG A 66 1.962 -9.448 -53.487 1.00 14.00 C ATOM 984 C ARG A 66 1.968 -8.011 -54.011 1.00 1.23 C ATOM 985 O ARG A 66 2.306 -7.764 -55.172 1.00 33.32 O ATOM 986 CB ARG A 66 0.695 -10.190 -53.938 1.00 41.14 C ATOM 987 CG ARG A 66 0.849 -11.714 -53.950 1.00 42.33 C ATOM 988 CD ARG A 66 -0.474 -12.432 -53.683 1.00 1.51 C ATOM 989 NE ARG A 66 -1.590 -11.866 -54.445 1.00 14.23 N ATOM 990 CZ ARG A 66 -2.837 -11.764 -53.976 1.00 13.50 C ATOM 991 NH1 ARG A 66 -3.123 -12.204 -52.755 1.00 2.55 N ATOM 992 NH2 ARG A 66 -3.793 -11.226 -54.727 1.00 75.44 N ATOM 0 H ARG A 66 1.178 -9.679 -51.553 1.00 45.31 H new ATOM 0 HA ARG A 66 2.831 -9.957 -53.903 1.00 14.00 H new ATOM 0 HB2 ARG A 66 -0.128 -9.921 -53.276 1.00 41.14 H new ATOM 0 HB3 ARG A 66 0.423 -9.853 -54.938 1.00 41.14 H new ATOM 0 HG2 ARG A 66 1.243 -12.030 -54.916 1.00 42.33 H new ATOM 0 HG3 ARG A 66 1.579 -12.009 -53.196 1.00 42.33 H new ATOM 0 HD2 ARG A 66 -0.367 -13.487 -53.934 1.00 1.51 H new ATOM 0 HD3 ARG A 66 -0.703 -12.379 -52.619 1.00 1.51 H new ATOM 0 HE ARG A 66 -1.404 -11.530 -55.390 1.00 14.23 H new ATOM 0 HH11 ARG A 66 -2.391 -12.619 -52.178 1.00 2.55 H new ATOM 0 HH12 ARG A 66 -4.074 -12.127 -52.395 1.00 2.55 H new ATOM 0 HH21 ARG A 66 -3.576 -10.889 -55.665 1.00 75.44 H new ATOM 0 HH22 ARG A 66 -4.744 -11.150 -54.365 1.00 75.44 H new ATOM 1006 N GLY A 67 1.610 -7.072 -53.137 1.00 34.51 N ATOM 1007 CA GLY A 67 1.641 -5.659 -53.481 1.00 34.10 C ATOM 1008 C GLY A 67 0.856 -5.324 -54.736 1.00 63.33 C ATOM 1009 O GLY A 67 1.364 -4.643 -55.629 1.00 1.24 O ATOM 0 H GLY A 67 1.296 -7.268 -52.187 1.00 34.51 H new ATOM 0 HA2 GLY A 67 1.242 -5.081 -52.647 1.00 34.10 H new ATOM 0 HA3 GLY A 67 2.677 -5.349 -53.616 1.00 34.10 H new ATOM 1013 N LYS A 68 -0.373 -5.821 -54.822 1.00 75.34 N ATOM 1014 CA LYS A 68 -1.255 -5.483 -55.935 1.00 45.14 C ATOM 1015 C LYS A 68 -2.168 -4.330 -55.509 1.00 23.21 C ATOM 1016 O LYS A 68 -3.013 -4.497 -54.624 1.00 4.34 O ATOM 1017 CB LYS A 68 -2.080 -6.716 -56.369 1.00 40.24 C ATOM 1018 CG LYS A 68 -2.676 -6.617 -57.783 1.00 60.33 C ATOM 1019 CD LYS A 68 -3.814 -5.597 -57.879 1.00 74.22 C ATOM 1020 CE LYS A 68 -4.236 -5.331 -59.321 1.00 64.14 C ATOM 1021 NZ LYS A 68 -4.766 -6.546 -59.991 1.00 71.10 N ATOM 0 H LYS A 68 -0.781 -6.457 -54.137 1.00 75.34 H new ATOM 0 HA LYS A 68 -0.661 -5.171 -56.794 1.00 45.14 H new ATOM 0 HB2 LYS A 68 -1.444 -7.600 -56.317 1.00 40.24 H new ATOM 0 HB3 LYS A 68 -2.891 -6.865 -55.656 1.00 40.24 H new ATOM 0 HG2 LYS A 68 -1.889 -6.343 -58.485 1.00 60.33 H new ATOM 0 HG3 LYS A 68 -3.046 -7.597 -58.085 1.00 60.33 H new ATOM 0 HD2 LYS A 68 -4.672 -5.960 -57.313 1.00 74.22 H new ATOM 0 HD3 LYS A 68 -3.500 -4.661 -57.417 1.00 74.22 H new ATOM 0 HE2 LYS A 68 -4.997 -4.551 -59.336 1.00 64.14 H new ATOM 0 HE3 LYS A 68 -3.382 -4.954 -59.883 1.00 64.14 H new ATOM 0 HZ1 LYS A 68 -5.039 -6.313 -60.967 1.00 71.10 H new ATOM 0 HZ2 LYS A 68 -4.033 -7.284 -60.003 1.00 71.10 H new ATOM 0 HZ3 LYS A 68 -5.598 -6.893 -59.473 1.00 71.10 H new ATOM 1035 N PRO A 69 -1.988 -3.133 -56.103 1.00 1.43 N ATOM 1036 CA PRO A 69 -2.800 -1.961 -55.784 1.00 41.05 C ATOM 1037 C PRO A 69 -4.078 -1.882 -56.626 1.00 63.34 C ATOM 1038 O PRO A 69 -4.127 -2.384 -57.753 1.00 73.21 O ATOM 1039 CB PRO A 69 -1.851 -0.809 -56.117 1.00 65.54 C ATOM 1040 CG PRO A 69 -1.034 -1.312 -57.265 1.00 33.42 C ATOM 1041 CD PRO A 69 -0.966 -2.821 -57.125 1.00 34.41 C ATOM 0 HA PRO A 69 -3.158 -1.964 -54.754 1.00 41.05 H new ATOM 0 HB2 PRO A 69 -2.401 0.092 -56.387 1.00 65.54 H new ATOM 0 HB3 PRO A 69 -1.222 -0.555 -55.264 1.00 65.54 H new ATOM 0 HG2 PRO A 69 -1.488 -1.032 -58.215 1.00 33.42 H new ATOM 0 HG3 PRO A 69 -0.035 -0.877 -57.249 1.00 33.42 H new ATOM 0 HD2 PRO A 69 -1.182 -3.319 -58.070 1.00 34.41 H new ATOM 0 HD3 PRO A 69 0.025 -3.148 -56.811 1.00 34.41 H new ATOM 1049 N PHE A 70 -5.103 -1.249 -56.070 1.00 41.12 N ATOM 1050 CA PHE A 70 -6.376 -1.056 -56.754 1.00 52.04 C ATOM 1051 C PHE A 70 -6.686 0.433 -56.833 1.00 55.23 C ATOM 1052 O PHE A 70 -6.471 1.167 -55.868 1.00 31.10 O ATOM 1053 CB PHE A 70 -7.501 -1.802 -56.018 1.00 51.25 C ATOM 1054 CG PHE A 70 -8.873 -1.602 -56.619 1.00 44.01 C ATOM 1055 CD1 PHE A 70 -9.168 -2.085 -57.888 1.00 50.33 C ATOM 1056 CD2 PHE A 70 -9.866 -0.930 -55.918 1.00 54.02 C ATOM 1057 CE1 PHE A 70 -10.421 -1.902 -58.441 1.00 71.23 C ATOM 1058 CE2 PHE A 70 -11.120 -0.745 -56.469 1.00 42.20 C ATOM 1059 CZ PHE A 70 -11.397 -1.232 -57.731 1.00 20.44 C ATOM 0 H PHE A 70 -5.075 -0.854 -55.130 1.00 41.12 H new ATOM 0 HA PHE A 70 -6.306 -1.462 -57.763 1.00 52.04 H new ATOM 0 HB2 PHE A 70 -7.271 -2.868 -56.011 1.00 51.25 H new ATOM 0 HB3 PHE A 70 -7.520 -1.474 -54.979 1.00 51.25 H new ATOM 0 HD1 PHE A 70 -8.409 -2.610 -58.449 1.00 50.33 H new ATOM 0 HD2 PHE A 70 -9.656 -0.547 -54.930 1.00 54.02 H new ATOM 0 HE1 PHE A 70 -10.637 -2.283 -59.428 1.00 71.23 H new ATOM 0 HE2 PHE A 70 -11.883 -0.220 -55.913 1.00 42.20 H new ATOM 0 HZ PHE A 70 -12.377 -1.089 -58.162 1.00 20.44 H new ATOM 1069 N GLN A 71 -7.173 0.874 -57.985 1.00 45.33 N ATOM 1070 CA GLN A 71 -7.457 2.286 -58.217 1.00 52.35 C ATOM 1071 C GLN A 71 -8.952 2.497 -58.400 1.00 12.44 C ATOM 1072 O GLN A 71 -9.584 1.808 -59.204 1.00 73.44 O ATOM 1073 CB GLN A 71 -6.706 2.781 -59.460 1.00 41.45 C ATOM 1074 CG GLN A 71 -5.203 2.539 -59.405 1.00 24.22 C ATOM 1075 CD GLN A 71 -4.482 3.049 -60.640 1.00 52.53 C ATOM 1076 OE1 GLN A 71 -4.325 2.325 -61.621 1.00 33.44 O ATOM 1077 NE2 GLN A 71 -4.027 4.291 -60.592 1.00 75.03 N ATOM 0 H GLN A 71 -7.381 0.270 -58.780 1.00 45.33 H new ATOM 0 HA GLN A 71 -7.121 2.855 -57.350 1.00 52.35 H new ATOM 0 HB2 GLN A 71 -7.113 2.285 -60.341 1.00 41.45 H new ATOM 0 HB3 GLN A 71 -6.889 3.849 -59.583 1.00 41.45 H new ATOM 0 HG2 GLN A 71 -4.792 3.028 -58.522 1.00 24.22 H new ATOM 0 HG3 GLN A 71 -5.015 1.471 -59.294 1.00 24.22 H new ATOM 0 HE21 GLN A 71 -4.179 4.858 -59.758 1.00 75.03 H new ATOM 0 HE22 GLN A 71 -3.524 4.681 -61.389 1.00 75.03 H new ATOM 1086 N PHE A 72 -9.515 3.445 -57.661 1.00 73.33 N ATOM 1087 CA PHE A 72 -10.942 3.746 -57.763 1.00 2.55 C ATOM 1088 C PHE A 72 -11.201 5.217 -57.464 1.00 20.34 C ATOM 1089 O PHE A 72 -10.370 5.893 -56.853 1.00 61.22 O ATOM 1090 CB PHE A 72 -11.762 2.862 -56.809 1.00 25.13 C ATOM 1091 CG PHE A 72 -11.513 3.127 -55.341 1.00 43.44 C ATOM 1092 CD1 PHE A 72 -10.441 2.539 -54.683 1.00 1.40 C ATOM 1093 CD2 PHE A 72 -12.357 3.963 -54.618 1.00 73.40 C ATOM 1094 CE1 PHE A 72 -10.217 2.779 -53.342 1.00 5.31 C ATOM 1095 CE2 PHE A 72 -12.135 4.204 -53.276 1.00 1.11 C ATOM 1096 CZ PHE A 72 -11.064 3.611 -52.636 1.00 32.03 C ATOM 0 H PHE A 72 -9.009 4.018 -56.986 1.00 73.33 H new ATOM 0 HA PHE A 72 -11.256 3.533 -58.785 1.00 2.55 H new ATOM 0 HB2 PHE A 72 -12.822 3.009 -57.017 1.00 25.13 H new ATOM 0 HB3 PHE A 72 -11.538 1.816 -57.020 1.00 25.13 H new ATOM 0 HD1 PHE A 72 -9.774 1.886 -55.227 1.00 1.40 H new ATOM 0 HD2 PHE A 72 -13.196 4.430 -55.112 1.00 73.40 H new ATOM 0 HE1 PHE A 72 -9.378 2.315 -52.844 1.00 5.31 H new ATOM 0 HE2 PHE A 72 -12.799 4.856 -52.727 1.00 1.11 H new ATOM 0 HZ PHE A 72 -10.889 3.797 -51.587 1.00 32.03 H new ATOM 1106 N THR A 73 -12.350 5.710 -57.908 1.00 51.11 N ATOM 1107 CA THR A 73 -12.755 7.079 -57.631 1.00 1.20 C ATOM 1108 C THR A 73 -13.409 7.160 -56.253 1.00 62.13 C ATOM 1109 O THR A 73 -14.542 6.708 -56.062 1.00 74.23 O ATOM 1110 CB THR A 73 -13.733 7.607 -58.710 1.00 52.41 C ATOM 1111 OG1 THR A 73 -13.149 7.453 -60.011 1.00 54.54 O ATOM 1112 CG2 THR A 73 -14.078 9.077 -58.477 1.00 75.20 C ATOM 0 H THR A 73 -13.020 5.178 -58.464 1.00 51.11 H new ATOM 0 HA THR A 73 -11.863 7.705 -57.648 1.00 1.20 H new ATOM 0 HB THR A 73 -14.653 7.025 -58.644 1.00 52.41 H new ATOM 0 HG1 THR A 73 -13.771 7.787 -60.691 1.00 54.54 H new ATOM 0 HG21 THR A 73 -14.766 9.416 -59.251 1.00 75.20 H new ATOM 0 HG22 THR A 73 -14.547 9.190 -57.500 1.00 75.20 H new ATOM 0 HG23 THR A 73 -13.167 9.675 -58.513 1.00 75.20 H new ATOM 1120 N LEU A 74 -12.672 7.700 -55.288 1.00 41.42 N ATOM 1121 CA LEU A 74 -13.176 7.889 -53.936 1.00 2.01 C ATOM 1122 C LEU A 74 -14.449 8.735 -53.966 1.00 50.22 C ATOM 1123 O LEU A 74 -14.490 9.777 -54.620 1.00 44.43 O ATOM 1124 CB LEU A 74 -12.104 8.558 -53.062 1.00 4.02 C ATOM 1125 CG LEU A 74 -12.494 8.784 -51.592 1.00 75.13 C ATOM 1126 CD1 LEU A 74 -12.907 7.468 -50.941 1.00 51.31 C ATOM 1127 CD2 LEU A 74 -11.342 9.433 -50.820 1.00 40.31 C ATOM 0 H LEU A 74 -11.712 8.017 -55.422 1.00 41.42 H new ATOM 0 HA LEU A 74 -13.415 6.916 -53.506 1.00 2.01 H new ATOM 0 HB2 LEU A 74 -11.203 7.945 -53.090 1.00 4.02 H new ATOM 0 HB3 LEU A 74 -11.849 9.521 -53.504 1.00 4.02 H new ATOM 0 HG LEU A 74 -13.346 9.463 -51.563 1.00 75.13 H new ATOM 0 HD11 LEU A 74 -13.180 7.646 -49.901 1.00 51.31 H new ATOM 0 HD12 LEU A 74 -13.762 7.051 -51.474 1.00 51.31 H new ATOM 0 HD13 LEU A 74 -12.075 6.765 -50.982 1.00 51.31 H new ATOM 0 HD21 LEU A 74 -11.639 9.584 -49.782 1.00 40.31 H new ATOM 0 HD22 LEU A 74 -10.468 8.783 -50.856 1.00 40.31 H new ATOM 0 HD23 LEU A 74 -11.098 10.395 -51.271 1.00 40.31 H new ATOM 1139 N GLY A 75 -15.485 8.273 -53.274 1.00 21.12 N ATOM 1140 CA GLY A 75 -16.769 8.954 -53.298 1.00 51.53 C ATOM 1141 C GLY A 75 -17.747 8.290 -54.252 1.00 33.31 C ATOM 1142 O GLY A 75 -18.966 8.390 -54.078 1.00 41.10 O ATOM 0 H GLY A 75 -15.459 7.435 -52.694 1.00 21.12 H new ATOM 0 HA2 GLY A 75 -17.193 8.965 -52.294 1.00 51.53 H new ATOM 0 HA3 GLY A 75 -16.623 9.993 -53.593 1.00 51.53 H new ATOM 1146 N ALA A 76 -17.214 7.604 -55.261 1.00 23.41 N ATOM 1147 CA ALA A 76 -18.040 6.889 -56.233 1.00 10.02 C ATOM 1148 C ALA A 76 -18.531 5.568 -55.648 1.00 2.44 C ATOM 1149 O ALA A 76 -18.079 5.146 -54.579 1.00 74.43 O ATOM 1150 CB ALA A 76 -17.265 6.649 -57.525 1.00 13.12 C ATOM 0 H ALA A 76 -16.211 7.528 -55.427 1.00 23.41 H new ATOM 0 HA ALA A 76 -18.908 7.506 -56.466 1.00 10.02 H new ATOM 0 HB1 ALA A 76 -17.897 6.116 -58.235 1.00 13.12 H new ATOM 0 HB2 ALA A 76 -16.966 7.606 -57.953 1.00 13.12 H new ATOM 0 HB3 ALA A 76 -16.377 6.054 -57.312 1.00 13.12 H new ATOM 1156 N GLY A 77 -19.438 4.905 -56.359 1.00 45.30 N ATOM 1157 CA GLY A 77 -20.024 3.668 -55.868 1.00 54.35 C ATOM 1158 C GLY A 77 -19.135 2.456 -56.086 1.00 33.32 C ATOM 1159 O GLY A 77 -19.628 1.363 -56.364 1.00 54.41 O ATOM 0 H GLY A 77 -19.780 5.204 -57.272 1.00 45.30 H new ATOM 0 HA2 GLY A 77 -20.233 3.770 -54.803 1.00 54.35 H new ATOM 0 HA3 GLY A 77 -20.980 3.504 -56.366 1.00 54.35 H new ATOM 1163 N GLU A 78 -17.824 2.647 -55.966 1.00 32.55 N ATOM 1164 CA GLU A 78 -16.874 1.550 -56.096 1.00 75.44 C ATOM 1165 C GLU A 78 -16.726 0.833 -54.760 1.00 54.02 C ATOM 1166 O GLU A 78 -16.630 -0.394 -54.701 1.00 2.52 O ATOM 1167 CB GLU A 78 -15.511 2.067 -56.579 1.00 2.50 C ATOM 1168 CG GLU A 78 -15.560 2.756 -57.939 1.00 4.04 C ATOM 1169 CD GLU A 78 -16.219 1.894 -59.006 1.00 63.04 C ATOM 1170 OE1 GLU A 78 -15.581 0.932 -59.482 1.00 1.53 O ATOM 1171 OE2 GLU A 78 -17.388 2.161 -59.354 1.00 75.43 O ATOM 0 H GLU A 78 -17.396 3.554 -55.779 1.00 32.55 H new ATOM 0 HA GLU A 78 -17.252 0.846 -56.837 1.00 75.44 H new ATOM 0 HB2 GLU A 78 -15.116 2.766 -55.842 1.00 2.50 H new ATOM 0 HB3 GLU A 78 -14.813 1.231 -56.631 1.00 2.50 H new ATOM 0 HG2 GLU A 78 -16.106 3.695 -57.847 1.00 4.04 H new ATOM 0 HG3 GLU A 78 -14.546 3.005 -58.253 1.00 4.04 H new ATOM 1178 N VAL A 79 -16.726 1.618 -53.689 1.00 13.45 N ATOM 1179 CA VAL A 79 -16.633 1.097 -52.334 1.00 1.34 C ATOM 1180 C VAL A 79 -17.726 1.721 -51.477 1.00 20.50 C ATOM 1181 O VAL A 79 -18.251 2.785 -51.816 1.00 12.22 O ATOM 1182 CB VAL A 79 -15.249 1.393 -51.695 1.00 22.51 C ATOM 1183 CG1 VAL A 79 -14.127 0.736 -52.498 1.00 2.53 C ATOM 1184 CG2 VAL A 79 -15.016 2.900 -51.568 1.00 32.01 C ATOM 0 H VAL A 79 -16.791 2.635 -53.738 1.00 13.45 H new ATOM 0 HA VAL A 79 -16.757 0.015 -52.382 1.00 1.34 H new ATOM 0 HB VAL A 79 -15.243 0.965 -50.692 1.00 22.51 H new ATOM 0 HG11 VAL A 79 -13.167 0.958 -52.031 1.00 2.53 H new ATOM 0 HG12 VAL A 79 -14.279 -0.343 -52.520 1.00 2.53 H new ATOM 0 HG13 VAL A 79 -14.133 1.124 -53.516 1.00 2.53 H new ATOM 0 HG21 VAL A 79 -14.040 3.081 -51.118 1.00 32.01 H new ATOM 0 HG22 VAL A 79 -15.050 3.358 -52.557 1.00 32.01 H new ATOM 0 HG23 VAL A 79 -15.792 3.336 -50.939 1.00 32.01 H new ATOM 1194 N ILE A 80 -18.077 1.058 -50.384 1.00 75.42 N ATOM 1195 CA ILE A 80 -19.075 1.585 -49.460 1.00 23.41 C ATOM 1196 C ILE A 80 -18.398 2.394 -48.360 1.00 60.52 C ATOM 1197 O ILE A 80 -17.175 2.326 -48.200 1.00 13.14 O ATOM 1198 CB ILE A 80 -19.947 0.463 -48.842 1.00 73.33 C ATOM 1199 CG1 ILE A 80 -19.080 -0.572 -48.108 1.00 72.25 C ATOM 1200 CG2 ILE A 80 -20.798 -0.204 -49.924 1.00 24.01 C ATOM 1201 CD1 ILE A 80 -19.872 -1.725 -47.526 1.00 43.25 C ATOM 0 H ILE A 80 -17.687 0.155 -50.114 1.00 75.42 H new ATOM 0 HA ILE A 80 -19.738 2.235 -50.031 1.00 23.41 H new ATOM 0 HB ILE A 80 -20.614 0.914 -48.107 1.00 73.33 H new ATOM 0 HG12 ILE A 80 -18.336 -0.966 -48.800 1.00 72.25 H new ATOM 0 HG13 ILE A 80 -18.536 -0.074 -47.305 1.00 72.25 H new ATOM 0 HG21 ILE A 80 -21.406 -0.990 -49.476 1.00 24.01 H new ATOM 0 HG22 ILE A 80 -21.449 0.539 -50.385 1.00 24.01 H new ATOM 0 HG23 ILE A 80 -20.147 -0.637 -50.683 1.00 24.01 H new ATOM 0 HD11 ILE A 80 -19.194 -2.415 -47.023 1.00 43.25 H new ATOM 0 HD12 ILE A 80 -20.598 -1.342 -46.809 1.00 43.25 H new ATOM 0 HD13 ILE A 80 -20.394 -2.248 -48.327 1.00 43.25 H new ATOM 1213 N LYS A 81 -19.199 3.142 -47.599 1.00 23.20 N ATOM 1214 CA LYS A 81 -18.692 4.075 -46.585 1.00 11.25 C ATOM 1215 C LYS A 81 -17.695 3.427 -45.616 1.00 2.21 C ATOM 1216 O LYS A 81 -16.929 4.130 -44.964 1.00 14.32 O ATOM 1217 CB LYS A 81 -19.862 4.724 -45.817 1.00 0.11 C ATOM 1218 CG LYS A 81 -20.189 6.143 -46.288 1.00 41.11 C ATOM 1219 CD LYS A 81 -19.124 7.143 -45.833 1.00 62.14 C ATOM 1220 CE LYS A 81 -19.292 8.512 -46.487 1.00 73.31 C ATOM 1221 NZ LYS A 81 -18.911 8.486 -47.924 1.00 30.33 N ATOM 0 H LYS A 81 -20.217 3.120 -47.666 1.00 23.20 H new ATOM 0 HA LYS A 81 -18.141 4.849 -47.118 1.00 11.25 H new ATOM 0 HB2 LYS A 81 -20.749 4.100 -45.927 1.00 0.11 H new ATOM 0 HB3 LYS A 81 -19.619 4.749 -44.755 1.00 0.11 H new ATOM 0 HG2 LYS A 81 -20.264 6.159 -47.375 1.00 41.11 H new ATOM 0 HG3 LYS A 81 -21.162 6.442 -45.897 1.00 41.11 H new ATOM 0 HD2 LYS A 81 -19.172 7.253 -44.750 1.00 62.14 H new ATOM 0 HD3 LYS A 81 -18.136 6.749 -46.070 1.00 62.14 H new ATOM 0 HE2 LYS A 81 -20.328 8.836 -46.391 1.00 73.31 H new ATOM 0 HE3 LYS A 81 -18.679 9.244 -45.961 1.00 73.31 H new ATOM 0 HZ1 LYS A 81 -19.284 9.333 -48.397 1.00 30.33 H new ATOM 0 HZ2 LYS A 81 -17.875 8.471 -48.008 1.00 30.33 H new ATOM 0 HZ3 LYS A 81 -19.307 7.636 -48.373 1.00 30.33 H new ATOM 1235 N GLY A 82 -17.695 2.099 -45.529 1.00 34.43 N ATOM 1236 CA GLY A 82 -16.711 1.414 -44.704 1.00 31.53 C ATOM 1237 C GLY A 82 -15.295 1.648 -45.206 1.00 11.44 C ATOM 1238 O GLY A 82 -14.469 2.268 -44.526 1.00 11.05 O ATOM 0 H GLY A 82 -18.354 1.487 -46.011 1.00 34.43 H new ATOM 0 HA2 GLY A 82 -16.794 1.762 -43.674 1.00 31.53 H new ATOM 0 HA3 GLY A 82 -16.923 0.345 -44.697 1.00 31.53 H new ATOM 1242 N TRP A 83 -15.027 1.184 -46.422 1.00 20.04 N ATOM 1243 CA TRP A 83 -13.711 1.344 -47.032 1.00 54.32 C ATOM 1244 C TRP A 83 -13.476 2.806 -47.405 1.00 71.34 C ATOM 1245 O TRP A 83 -12.338 3.275 -47.435 1.00 52.20 O ATOM 1246 CB TRP A 83 -13.577 0.449 -48.268 1.00 1.15 C ATOM 1247 CG TRP A 83 -13.738 -1.013 -47.962 1.00 60.24 C ATOM 1248 CD1 TRP A 83 -12.942 -1.772 -47.152 1.00 62.11 C ATOM 1249 CD2 TRP A 83 -14.746 -1.894 -48.473 1.00 23.23 C ATOM 1250 NE1 TRP A 83 -13.401 -3.065 -47.119 1.00 5.04 N ATOM 1251 CE2 TRP A 83 -14.505 -3.166 -47.920 1.00 4.34 C ATOM 1252 CE3 TRP A 83 -15.832 -1.731 -49.340 1.00 42.12 C ATOM 1253 CZ2 TRP A 83 -15.305 -4.266 -48.203 1.00 13.44 C ATOM 1254 CZ3 TRP A 83 -16.628 -2.826 -49.622 1.00 3.14 C ATOM 1255 CH2 TRP A 83 -16.361 -4.080 -49.054 1.00 54.32 C ATOM 0 H TRP A 83 -15.704 0.693 -47.006 1.00 20.04 H new ATOM 0 HA TRP A 83 -12.955 1.042 -46.307 1.00 54.32 H new ATOM 0 HB2 TRP A 83 -14.325 0.744 -49.004 1.00 1.15 H new ATOM 0 HB3 TRP A 83 -12.600 0.613 -48.723 1.00 1.15 H new ATOM 0 HD1 TRP A 83 -12.078 -1.408 -46.616 1.00 62.11 H new ATOM 0 HE1 TRP A 83 -12.986 -3.827 -46.584 1.00 5.04 H new ATOM 0 HE3 TRP A 83 -16.045 -0.768 -49.781 1.00 42.12 H new ATOM 0 HZ2 TRP A 83 -15.101 -5.233 -47.767 1.00 13.44 H new ATOM 0 HZ3 TRP A 83 -17.469 -2.714 -50.290 1.00 3.14 H new ATOM 0 HH2 TRP A 83 -17.002 -4.916 -49.293 1.00 54.32 H new ATOM 1266 N ASP A 84 -14.568 3.513 -47.686 1.00 72.43 N ATOM 1267 CA ASP A 84 -14.521 4.945 -47.983 1.00 32.24 C ATOM 1268 C ASP A 84 -13.901 5.705 -46.809 1.00 32.32 C ATOM 1269 O ASP A 84 -12.949 6.465 -46.983 1.00 11.55 O ATOM 1270 CB ASP A 84 -15.936 5.460 -48.279 1.00 51.14 C ATOM 1271 CG ASP A 84 -15.996 6.957 -48.551 1.00 24.20 C ATOM 1272 OD1 ASP A 84 -15.834 7.368 -49.717 1.00 3.24 O ATOM 1273 OD2 ASP A 84 -16.239 7.730 -47.596 1.00 41.55 O ATOM 0 H ASP A 84 -15.506 3.113 -47.715 1.00 72.43 H new ATOM 0 HA ASP A 84 -13.900 5.111 -48.863 1.00 32.24 H new ATOM 0 HB2 ASP A 84 -16.335 4.926 -49.142 1.00 51.14 H new ATOM 0 HB3 ASP A 84 -16.583 5.227 -47.433 1.00 51.14 H new ATOM 1278 N GLN A 85 -14.426 5.469 -45.605 1.00 53.44 N ATOM 1279 CA GLN A 85 -13.859 6.058 -44.394 1.00 73.31 C ATOM 1280 C GLN A 85 -12.456 5.507 -44.154 1.00 50.41 C ATOM 1281 O GLN A 85 -11.557 6.236 -43.728 1.00 43.23 O ATOM 1282 CB GLN A 85 -14.748 5.785 -43.172 1.00 11.22 C ATOM 1283 CG GLN A 85 -16.075 6.537 -43.192 1.00 25.14 C ATOM 1284 CD GLN A 85 -16.917 6.282 -41.952 1.00 22.14 C ATOM 1285 OE1 GLN A 85 -16.391 6.017 -40.869 1.00 20.15 O ATOM 1286 NE2 GLN A 85 -18.229 6.369 -42.098 1.00 2.41 N ATOM 0 H GLN A 85 -15.240 4.876 -45.444 1.00 53.44 H new ATOM 0 HA GLN A 85 -13.804 7.137 -44.536 1.00 73.31 H new ATOM 0 HB2 GLN A 85 -14.949 4.715 -43.113 1.00 11.22 H new ATOM 0 HB3 GLN A 85 -14.201 6.057 -42.269 1.00 11.22 H new ATOM 0 HG2 GLN A 85 -15.880 7.606 -43.279 1.00 25.14 H new ATOM 0 HG3 GLN A 85 -16.641 6.243 -44.076 1.00 25.14 H new ATOM 0 HE21 GLN A 85 -18.627 6.590 -43.011 1.00 2.41 H new ATOM 0 HE22 GLN A 85 -18.843 6.215 -41.298 1.00 2.41 H new ATOM 1295 N GLY A 86 -12.281 4.216 -44.451 1.00 70.40 N ATOM 1296 CA GLY A 86 -10.982 3.579 -44.308 1.00 62.34 C ATOM 1297 C GLY A 86 -9.875 4.339 -45.023 1.00 13.43 C ATOM 1298 O GLY A 86 -8.841 4.649 -44.429 1.00 1.43 O ATOM 0 H GLY A 86 -13.021 3.601 -44.789 1.00 70.40 H new ATOM 0 HA2 GLY A 86 -10.736 3.497 -43.249 1.00 62.34 H new ATOM 0 HA3 GLY A 86 -11.034 2.564 -44.702 1.00 62.34 H new ATOM 1302 N VAL A 87 -10.091 4.642 -46.297 1.00 54.13 N ATOM 1303 CA VAL A 87 -9.122 5.403 -47.081 1.00 50.24 C ATOM 1304 C VAL A 87 -9.158 6.892 -46.709 1.00 54.40 C ATOM 1305 O VAL A 87 -8.142 7.580 -46.752 1.00 10.11 O ATOM 1306 CB VAL A 87 -9.360 5.228 -48.604 1.00 55.44 C ATOM 1307 CG1 VAL A 87 -10.758 5.675 -48.996 1.00 34.31 C ATOM 1308 CG2 VAL A 87 -8.303 5.979 -49.417 1.00 62.31 C ATOM 0 H VAL A 87 -10.930 4.373 -46.811 1.00 54.13 H new ATOM 0 HA VAL A 87 -8.134 5.008 -46.843 1.00 50.24 H new ATOM 0 HB VAL A 87 -9.270 4.166 -48.832 1.00 55.44 H new ATOM 0 HG11 VAL A 87 -10.895 5.541 -50.069 1.00 34.31 H new ATOM 0 HG12 VAL A 87 -11.495 5.078 -48.458 1.00 34.31 H new ATOM 0 HG13 VAL A 87 -10.888 6.727 -48.743 1.00 34.31 H new ATOM 0 HG21 VAL A 87 -8.495 5.839 -50.481 1.00 62.31 H new ATOM 0 HG22 VAL A 87 -8.347 7.041 -49.177 1.00 62.31 H new ATOM 0 HG23 VAL A 87 -7.314 5.593 -49.173 1.00 62.31 H new ATOM 1318 N ALA A 88 -10.332 7.381 -46.321 1.00 43.42 N ATOM 1319 CA ALA A 88 -10.502 8.797 -45.998 1.00 63.54 C ATOM 1320 C ALA A 88 -9.757 9.188 -44.717 1.00 61.41 C ATOM 1321 O ALA A 88 -9.359 10.345 -44.547 1.00 62.12 O ATOM 1322 CB ALA A 88 -11.981 9.138 -45.869 1.00 72.34 C ATOM 0 H ALA A 88 -11.179 6.821 -46.222 1.00 43.42 H new ATOM 0 HA ALA A 88 -10.070 9.371 -46.818 1.00 63.54 H new ATOM 0 HB1 ALA A 88 -12.091 10.195 -45.628 1.00 72.34 H new ATOM 0 HB2 ALA A 88 -12.487 8.926 -46.811 1.00 72.34 H new ATOM 0 HB3 ALA A 88 -12.425 8.537 -45.075 1.00 72.34 H new ATOM 1328 N THR A 89 -9.575 8.229 -43.809 1.00 71.10 N ATOM 1329 CA THR A 89 -8.931 8.509 -42.523 1.00 21.14 C ATOM 1330 C THR A 89 -7.399 8.488 -42.630 1.00 72.32 C ATOM 1331 O THR A 89 -6.705 8.815 -41.662 1.00 61.43 O ATOM 1332 CB THR A 89 -9.384 7.509 -41.422 1.00 10.23 C ATOM 1333 OG1 THR A 89 -8.889 7.919 -40.135 1.00 70.41 O ATOM 1334 CG2 THR A 89 -8.894 6.097 -41.718 1.00 23.35 C ATOM 0 H THR A 89 -9.861 7.258 -43.937 1.00 71.10 H new ATOM 0 HA THR A 89 -9.247 9.513 -42.240 1.00 21.14 H new ATOM 0 HB THR A 89 -10.474 7.507 -41.413 1.00 10.23 H new ATOM 0 HG1 THR A 89 -8.050 8.412 -40.249 1.00 70.41 H new ATOM 0 HG21 THR A 89 -9.228 5.423 -40.929 1.00 23.35 H new ATOM 0 HG22 THR A 89 -9.298 5.765 -42.674 1.00 23.35 H new ATOM 0 HG23 THR A 89 -7.805 6.092 -41.763 1.00 23.35 H new ATOM 1342 N MET A 90 -6.869 8.120 -43.797 1.00 23.21 N ATOM 1343 CA MET A 90 -5.415 8.034 -43.985 1.00 52.35 C ATOM 1344 C MET A 90 -4.915 9.133 -44.917 1.00 34.44 C ATOM 1345 O MET A 90 -5.704 9.930 -45.431 1.00 64.34 O ATOM 1346 CB MET A 90 -5.019 6.660 -44.552 1.00 2.44 C ATOM 1347 CG MET A 90 -5.465 6.427 -45.989 1.00 20.52 C ATOM 1348 SD MET A 90 -4.951 4.821 -46.624 1.00 33.02 S ATOM 1349 CE MET A 90 -5.741 3.729 -45.446 1.00 71.33 C ATOM 0 H MET A 90 -7.417 7.878 -44.622 1.00 23.21 H new ATOM 0 HA MET A 90 -4.950 8.165 -43.008 1.00 52.35 H new ATOM 0 HB2 MET A 90 -3.935 6.556 -44.498 1.00 2.44 H new ATOM 0 HB3 MET A 90 -5.446 5.882 -43.920 1.00 2.44 H new ATOM 0 HG2 MET A 90 -6.551 6.505 -46.045 1.00 20.52 H new ATOM 0 HG3 MET A 90 -5.056 7.212 -46.624 1.00 20.52 H new ATOM 0 HE1 MET A 90 -4.988 3.301 -44.784 1.00 71.33 H new ATOM 0 HE2 MET A 90 -6.464 4.292 -44.856 1.00 71.33 H new ATOM 0 HE3 MET A 90 -6.253 2.928 -45.979 1.00 71.33 H new ATOM 1359 N THR A 91 -3.599 9.176 -45.119 1.00 54.53 N ATOM 1360 CA THR A 91 -2.978 10.106 -46.060 1.00 60.53 C ATOM 1361 C THR A 91 -2.063 9.346 -47.029 1.00 4.54 C ATOM 1362 O THR A 91 -1.917 8.125 -46.924 1.00 62.15 O ATOM 1363 CB THR A 91 -2.180 11.209 -45.319 1.00 2.34 C ATOM 1364 OG1 THR A 91 -1.276 10.623 -44.370 1.00 75.53 O ATOM 1365 CG2 THR A 91 -3.115 12.181 -44.604 1.00 54.53 C ATOM 0 H THR A 91 -2.936 8.569 -44.637 1.00 54.53 H new ATOM 0 HA THR A 91 -3.772 10.592 -46.627 1.00 60.53 H new ATOM 0 HB THR A 91 -1.610 11.762 -46.065 1.00 2.34 H new ATOM 0 HG1 THR A 91 -1.492 10.946 -43.470 1.00 75.53 H new ATOM 0 HG21 THR A 91 -2.526 12.943 -44.093 1.00 54.53 H new ATOM 0 HG22 THR A 91 -3.771 12.657 -45.333 1.00 54.53 H new ATOM 0 HG23 THR A 91 -3.716 11.638 -43.875 1.00 54.53 H new ATOM 1373 N LEU A 92 -1.457 10.060 -47.976 1.00 74.01 N ATOM 1374 CA LEU A 92 -0.624 9.426 -48.999 1.00 25.41 C ATOM 1375 C LEU A 92 0.599 8.758 -48.359 1.00 32.24 C ATOM 1376 O LEU A 92 1.298 9.367 -47.538 1.00 31.23 O ATOM 1377 CB LEU A 92 -0.203 10.468 -50.059 1.00 14.43 C ATOM 1378 CG LEU A 92 0.263 9.917 -51.430 1.00 74.12 C ATOM 1379 CD1 LEU A 92 0.364 11.050 -52.452 1.00 1.01 C ATOM 1380 CD2 LEU A 92 1.603 9.190 -51.324 1.00 24.41 C ATOM 0 H LEU A 92 -1.526 11.074 -48.057 1.00 74.01 H new ATOM 0 HA LEU A 92 -1.204 8.648 -49.497 1.00 25.41 H new ATOM 0 HB2 LEU A 92 -1.045 11.138 -50.230 1.00 14.43 H new ATOM 0 HB3 LEU A 92 0.604 11.070 -49.642 1.00 14.43 H new ATOM 0 HG LEU A 92 -0.483 9.195 -51.762 1.00 74.12 H new ATOM 0 HD11 LEU A 92 0.693 10.647 -53.410 1.00 1.01 H new ATOM 0 HD12 LEU A 92 -0.612 11.520 -52.571 1.00 1.01 H new ATOM 0 HD13 LEU A 92 1.084 11.791 -52.104 1.00 1.01 H new ATOM 0 HD21 LEU A 92 1.894 8.819 -52.307 1.00 24.41 H new ATOM 0 HD22 LEU A 92 2.363 9.880 -50.957 1.00 24.41 H new ATOM 0 HD23 LEU A 92 1.509 8.352 -50.633 1.00 24.41 H new ATOM 1392 N GLY A 93 0.828 7.496 -48.730 1.00 34.21 N ATOM 1393 CA GLY A 93 1.981 6.755 -48.247 1.00 5.55 C ATOM 1394 C GLY A 93 1.738 6.130 -46.892 1.00 72.25 C ATOM 1395 O GLY A 93 2.679 5.670 -46.235 1.00 64.11 O ATOM 0 H GLY A 93 0.226 6.971 -49.364 1.00 34.21 H new ATOM 0 HA2 GLY A 93 2.234 5.974 -48.964 1.00 5.55 H new ATOM 0 HA3 GLY A 93 2.840 7.423 -48.187 1.00 5.55 H new ATOM 1399 N GLU A 94 0.478 6.107 -46.471 1.00 71.34 N ATOM 1400 CA GLU A 94 0.119 5.599 -45.153 1.00 13.03 C ATOM 1401 C GLU A 94 -0.472 4.194 -45.240 1.00 35.11 C ATOM 1402 O GLU A 94 -1.381 3.933 -46.036 1.00 11.33 O ATOM 1403 CB GLU A 94 -0.863 6.560 -44.470 1.00 33.44 C ATOM 1404 CG GLU A 94 -1.187 6.203 -43.021 1.00 42.11 C ATOM 1405 CD GLU A 94 -1.638 7.411 -42.214 1.00 1.35 C ATOM 1406 OE1 GLU A 94 -0.767 8.110 -41.660 1.00 22.02 O ATOM 1407 OE2 GLU A 94 -2.854 7.678 -42.142 1.00 1.51 O ATOM 0 H GLU A 94 -0.313 6.435 -47.025 1.00 71.34 H new ATOM 0 HA GLU A 94 1.027 5.536 -44.553 1.00 13.03 H new ATOM 0 HB2 GLU A 94 -0.447 7.567 -44.499 1.00 33.44 H new ATOM 0 HB3 GLU A 94 -1.790 6.581 -45.043 1.00 33.44 H new ATOM 0 HG2 GLU A 94 -1.969 5.444 -43.003 1.00 42.11 H new ATOM 0 HG3 GLU A 94 -0.306 5.764 -42.552 1.00 42.11 H new ATOM 1414 N LYS A 95 0.076 3.295 -44.424 1.00 63.35 N ATOM 1415 CA LYS A 95 -0.420 1.930 -44.295 1.00 74.54 C ATOM 1416 C LYS A 95 -1.053 1.763 -42.919 1.00 2.34 C ATOM 1417 O LYS A 95 -0.361 1.887 -41.899 1.00 24.43 O ATOM 1418 CB LYS A 95 0.724 0.914 -44.466 1.00 62.30 C ATOM 1419 CG LYS A 95 0.280 -0.543 -44.314 1.00 64.33 C ATOM 1420 CD LYS A 95 1.464 -1.504 -44.190 1.00 65.41 C ATOM 1421 CE LYS A 95 2.284 -1.599 -45.473 1.00 1.24 C ATOM 1422 NZ LYS A 95 1.501 -2.168 -46.605 1.00 21.52 N ATOM 0 H LYS A 95 0.881 3.497 -43.831 1.00 63.35 H new ATOM 0 HA LYS A 95 -1.160 1.745 -45.074 1.00 74.54 H new ATOM 0 HB2 LYS A 95 1.172 1.047 -45.451 1.00 62.30 H new ATOM 0 HB3 LYS A 95 1.500 1.127 -43.731 1.00 62.30 H new ATOM 0 HG2 LYS A 95 -0.354 -0.637 -43.432 1.00 64.33 H new ATOM 0 HG3 LYS A 95 -0.326 -0.827 -45.174 1.00 64.33 H new ATOM 0 HD2 LYS A 95 2.109 -1.175 -43.375 1.00 65.41 H new ATOM 0 HD3 LYS A 95 1.096 -2.495 -43.925 1.00 65.41 H new ATOM 0 HE2 LYS A 95 2.644 -0.607 -45.746 1.00 1.24 H new ATOM 0 HE3 LYS A 95 3.163 -2.219 -45.295 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 2.123 -2.292 -47.430 1.00 21.52 H new ATOM 0 HZ2 LYS A 95 1.108 -3.090 -46.327 1.00 21.52 H new ATOM 0 HZ3 LYS A 95 0.725 -1.521 -46.850 1.00 21.52 H new ATOM 1436 N ALA A 96 -2.355 1.488 -42.890 1.00 20.50 N ATOM 1437 CA ALA A 96 -3.092 1.342 -41.640 1.00 55.24 C ATOM 1438 C ALA A 96 -3.938 0.069 -41.644 1.00 22.35 C ATOM 1439 O ALA A 96 -4.487 -0.329 -42.671 1.00 52.31 O ATOM 1440 CB ALA A 96 -3.974 2.566 -41.399 1.00 14.21 C ATOM 0 H ALA A 96 -2.924 1.361 -43.727 1.00 20.50 H new ATOM 0 HA ALA A 96 -2.369 1.263 -40.828 1.00 55.24 H new ATOM 0 HB1 ALA A 96 -4.518 2.444 -40.463 1.00 14.21 H new ATOM 0 HB2 ALA A 96 -3.351 3.458 -41.342 1.00 14.21 H new ATOM 0 HB3 ALA A 96 -4.683 2.671 -42.220 1.00 14.21 H new ATOM 1446 N LEU A 97 -4.015 -0.573 -40.489 1.00 62.33 N ATOM 1447 CA LEU A 97 -4.852 -1.748 -40.300 1.00 4.54 C ATOM 1448 C LEU A 97 -6.227 -1.296 -39.818 1.00 23.15 C ATOM 1449 O LEU A 97 -6.371 -0.813 -38.694 1.00 2.53 O ATOM 1450 CB LEU A 97 -4.175 -2.701 -39.293 1.00 62.35 C ATOM 1451 CG LEU A 97 -4.937 -4.001 -38.948 1.00 23.42 C ATOM 1452 CD1 LEU A 97 -3.961 -5.115 -38.572 1.00 52.33 C ATOM 1453 CD2 LEU A 97 -5.934 -3.772 -37.804 1.00 12.41 C ATOM 0 H LEU A 97 -3.498 -0.294 -39.655 1.00 62.33 H new ATOM 0 HA LEU A 97 -4.978 -2.291 -41.237 1.00 4.54 H new ATOM 0 HB2 LEU A 97 -3.197 -2.975 -39.688 1.00 62.35 H new ATOM 0 HB3 LEU A 97 -4.003 -2.152 -38.367 1.00 62.35 H new ATOM 0 HG LEU A 97 -5.494 -4.303 -39.835 1.00 23.42 H new ATOM 0 HD11 LEU A 97 -4.518 -6.021 -38.333 1.00 52.33 H new ATOM 0 HD12 LEU A 97 -3.292 -5.311 -39.410 1.00 52.33 H new ATOM 0 HD13 LEU A 97 -3.376 -4.809 -37.705 1.00 52.33 H new ATOM 0 HD21 LEU A 97 -6.455 -4.704 -37.583 1.00 12.41 H new ATOM 0 HD22 LEU A 97 -5.398 -3.437 -36.916 1.00 12.41 H new ATOM 0 HD23 LEU A 97 -6.658 -3.012 -38.099 1.00 12.41 H new ATOM 1465 N PHE A 98 -7.229 -1.424 -40.681 1.00 33.43 N ATOM 1466 CA PHE A 98 -8.564 -0.917 -40.385 1.00 22.33 C ATOM 1467 C PHE A 98 -9.510 -2.068 -40.040 1.00 65.01 C ATOM 1468 O PHE A 98 -9.521 -3.100 -40.715 1.00 52.24 O ATOM 1469 CB PHE A 98 -9.099 -0.120 -41.586 1.00 14.23 C ATOM 1470 CG PHE A 98 -10.216 0.836 -41.242 1.00 54.22 C ATOM 1471 CD1 PHE A 98 -11.518 0.388 -41.096 1.00 1.45 C ATOM 1472 CD2 PHE A 98 -9.959 2.188 -41.068 1.00 54.43 C ATOM 1473 CE1 PHE A 98 -12.537 1.265 -40.781 1.00 61.40 C ATOM 1474 CE2 PHE A 98 -10.974 3.070 -40.754 1.00 53.50 C ATOM 1475 CZ PHE A 98 -12.265 2.608 -40.613 1.00 43.13 C ATOM 0 H PHE A 98 -7.142 -1.875 -41.592 1.00 33.43 H new ATOM 0 HA PHE A 98 -8.506 -0.254 -39.521 1.00 22.33 H new ATOM 0 HB2 PHE A 98 -8.278 0.442 -42.030 1.00 14.23 H new ATOM 0 HB3 PHE A 98 -9.454 -0.819 -42.344 1.00 14.23 H new ATOM 0 HD1 PHE A 98 -11.739 -0.661 -41.230 1.00 1.45 H new ATOM 0 HD2 PHE A 98 -8.950 2.556 -41.180 1.00 54.43 H new ATOM 0 HE1 PHE A 98 -13.547 0.900 -40.666 1.00 61.40 H new ATOM 0 HE2 PHE A 98 -10.757 4.119 -40.619 1.00 53.50 H new ATOM 0 HZ PHE A 98 -13.062 3.295 -40.372 1.00 43.13 H new ATOM 1485 N THR A 99 -10.288 -1.888 -38.978 1.00 0.52 N ATOM 1486 CA THR A 99 -11.272 -2.877 -38.557 1.00 41.40 C ATOM 1487 C THR A 99 -12.640 -2.553 -39.167 1.00 32.20 C ATOM 1488 O THR A 99 -13.246 -1.535 -38.834 1.00 23.33 O ATOM 1489 CB THR A 99 -11.390 -2.914 -37.015 1.00 71.14 C ATOM 1490 OG1 THR A 99 -10.082 -3.031 -36.431 1.00 32.31 O ATOM 1491 CG2 THR A 99 -12.262 -4.080 -36.552 1.00 45.34 C ATOM 0 H THR A 99 -10.254 -1.057 -38.388 1.00 0.52 H new ATOM 0 HA THR A 99 -10.940 -3.855 -38.907 1.00 41.40 H new ATOM 0 HB THR A 99 -11.860 -1.986 -36.690 1.00 71.14 H new ATOM 0 HG1 THR A 99 -10.161 -3.052 -35.454 1.00 32.31 H new ATOM 0 HG21 THR A 99 -12.325 -4.078 -35.464 1.00 45.34 H new ATOM 0 HG22 THR A 99 -13.262 -3.976 -36.973 1.00 45.34 H new ATOM 0 HG23 THR A 99 -11.822 -5.019 -36.888 1.00 45.34 H new ATOM 1499 N ILE A 100 -13.108 -3.413 -40.070 1.00 21.32 N ATOM 1500 CA ILE A 100 -14.378 -3.206 -40.759 1.00 55.40 C ATOM 1501 C ILE A 100 -15.466 -4.109 -40.166 1.00 14.24 C ATOM 1502 O ILE A 100 -15.382 -5.338 -40.264 1.00 1.33 O ATOM 1503 CB ILE A 100 -14.246 -3.497 -42.279 1.00 12.11 C ATOM 1504 CG1 ILE A 100 -13.305 -2.481 -42.950 1.00 60.11 C ATOM 1505 CG2 ILE A 100 -15.612 -3.477 -42.957 1.00 11.45 C ATOM 1506 CD1 ILE A 100 -13.870 -1.072 -43.022 1.00 2.12 C ATOM 0 H ILE A 100 -12.621 -4.267 -40.342 1.00 21.32 H new ATOM 0 HA ILE A 100 -14.657 -2.161 -40.623 1.00 55.40 H new ATOM 0 HB ILE A 100 -13.819 -4.493 -42.392 1.00 12.11 H new ATOM 0 HG12 ILE A 100 -12.363 -2.456 -42.402 1.00 60.11 H new ATOM 0 HG13 ILE A 100 -13.078 -2.823 -43.960 1.00 60.11 H new ATOM 0 HG21 ILE A 100 -15.493 -3.683 -44.021 1.00 11.45 H new ATOM 0 HG22 ILE A 100 -16.252 -4.237 -42.509 1.00 11.45 H new ATOM 0 HG23 ILE A 100 -16.069 -2.496 -42.827 1.00 11.45 H new ATOM 0 HD11 ILE A 100 -13.148 -0.415 -43.508 1.00 2.12 H new ATOM 0 HD12 ILE A 100 -14.797 -1.080 -43.596 1.00 2.12 H new ATOM 0 HD13 ILE A 100 -14.071 -0.708 -42.014 1.00 2.12 H new ATOM 1518 N PRO A 101 -16.492 -3.514 -39.525 1.00 5.44 N ATOM 1519 CA PRO A 101 -17.637 -4.267 -38.999 1.00 42.13 C ATOM 1520 C PRO A 101 -18.368 -5.024 -40.103 1.00 14.34 C ATOM 1521 O PRO A 101 -18.325 -4.628 -41.269 1.00 14.05 O ATOM 1522 CB PRO A 101 -18.551 -3.182 -38.399 1.00 51.24 C ATOM 1523 CG PRO A 101 -17.663 -2.004 -38.180 1.00 0.42 C ATOM 1524 CD PRO A 101 -16.611 -2.070 -39.255 1.00 24.24 C ATOM 0 HA PRO A 101 -17.331 -5.021 -38.274 1.00 42.13 H new ATOM 0 HB2 PRO A 101 -19.370 -2.938 -39.076 1.00 51.24 H new ATOM 0 HB3 PRO A 101 -18.999 -3.517 -37.464 1.00 51.24 H new ATOM 0 HG2 PRO A 101 -18.227 -1.073 -38.243 1.00 0.42 H new ATOM 0 HG3 PRO A 101 -17.210 -2.036 -37.189 1.00 0.42 H new ATOM 0 HD2 PRO A 101 -16.911 -1.518 -40.146 1.00 24.24 H new ATOM 0 HD3 PRO A 101 -15.665 -1.644 -38.919 1.00 24.24 H new ATOM 1532 N TYR A 102 -19.056 -6.098 -39.727 1.00 62.24 N ATOM 1533 CA TYR A 102 -19.800 -6.922 -40.682 1.00 42.32 C ATOM 1534 C TYR A 102 -20.787 -6.074 -41.491 1.00 55.45 C ATOM 1535 O TYR A 102 -21.044 -6.348 -42.663 1.00 63.25 O ATOM 1536 CB TYR A 102 -20.550 -8.040 -39.936 1.00 22.34 C ATOM 1537 CG TYR A 102 -21.626 -7.538 -38.987 1.00 74.23 C ATOM 1538 CD1 TYR A 102 -21.307 -7.082 -37.712 1.00 34.34 C ATOM 1539 CD2 TYR A 102 -22.964 -7.516 -39.374 1.00 52.43 C ATOM 1540 CE1 TYR A 102 -22.285 -6.618 -36.856 1.00 44.51 C ATOM 1541 CE2 TYR A 102 -23.945 -7.055 -38.521 1.00 11.43 C ATOM 1542 CZ TYR A 102 -23.602 -6.607 -37.265 1.00 3.53 C ATOM 1543 OH TYR A 102 -24.578 -6.135 -36.415 1.00 60.43 O ATOM 0 H TYR A 102 -19.115 -6.422 -38.762 1.00 62.24 H new ATOM 0 HA TYR A 102 -19.088 -7.367 -41.377 1.00 42.32 H new ATOM 0 HB2 TYR A 102 -21.007 -8.707 -40.667 1.00 22.34 H new ATOM 0 HB3 TYR A 102 -19.830 -8.632 -39.371 1.00 22.34 H new ATOM 0 HD1 TYR A 102 -20.277 -7.091 -37.387 1.00 34.34 H new ATOM 0 HD2 TYR A 102 -23.238 -7.866 -40.358 1.00 52.43 H new ATOM 0 HE1 TYR A 102 -22.020 -6.265 -35.870 1.00 44.51 H new ATOM 0 HE2 TYR A 102 -24.978 -7.045 -38.837 1.00 11.43 H new ATOM 0 HH TYR A 102 -25.452 -6.194 -36.855 1.00 60.43 H new ATOM 1553 N GLN A 103 -21.308 -5.030 -40.851 1.00 54.01 N ATOM 1554 CA GLN A 103 -22.323 -4.163 -41.450 1.00 73.14 C ATOM 1555 C GLN A 103 -21.717 -3.204 -42.476 1.00 73.11 C ATOM 1556 O GLN A 103 -22.443 -2.526 -43.203 1.00 64.20 O ATOM 1557 CB GLN A 103 -23.041 -3.368 -40.350 1.00 20.21 C ATOM 1558 CG GLN A 103 -22.113 -2.487 -39.511 1.00 52.32 C ATOM 1559 CD GLN A 103 -22.848 -1.724 -38.421 1.00 12.35 C ATOM 1560 OE1 GLN A 103 -23.864 -2.185 -37.905 1.00 44.32 O ATOM 1561 NE2 GLN A 103 -22.341 -0.553 -38.064 1.00 41.41 N ATOM 0 H GLN A 103 -21.040 -4.760 -39.904 1.00 54.01 H new ATOM 0 HA GLN A 103 -23.038 -4.798 -41.973 1.00 73.14 H new ATOM 0 HB2 GLN A 103 -23.804 -2.740 -40.810 1.00 20.21 H new ATOM 0 HB3 GLN A 103 -23.557 -4.065 -39.690 1.00 20.21 H new ATOM 0 HG2 GLN A 103 -21.343 -3.110 -39.056 1.00 52.32 H new ATOM 0 HG3 GLN A 103 -21.605 -1.778 -40.164 1.00 52.32 H new ATOM 0 HE21 GLN A 103 -21.496 -0.204 -38.516 1.00 41.41 H new ATOM 0 HE22 GLN A 103 -22.796 -0.000 -37.337 1.00 41.41 H new ATOM 1570 N LEU A 104 -20.389 -3.143 -42.526 1.00 62.14 N ATOM 1571 CA LEU A 104 -19.688 -2.241 -43.441 1.00 32.30 C ATOM 1572 C LEU A 104 -18.885 -3.032 -44.472 1.00 63.52 C ATOM 1573 O LEU A 104 -17.974 -2.494 -45.107 1.00 31.32 O ATOM 1574 CB LEU A 104 -18.765 -1.288 -42.659 1.00 72.14 C ATOM 1575 CG LEU A 104 -19.478 -0.329 -41.687 1.00 20.21 C ATOM 1576 CD1 LEU A 104 -18.473 0.595 -41.004 1.00 1.30 C ATOM 1577 CD2 LEU A 104 -20.552 0.480 -42.413 1.00 71.42 C ATOM 0 H LEU A 104 -19.773 -3.709 -41.942 1.00 62.14 H new ATOM 0 HA LEU A 104 -20.433 -1.647 -43.969 1.00 32.30 H new ATOM 0 HB2 LEU A 104 -18.049 -1.885 -42.094 1.00 72.14 H new ATOM 0 HB3 LEU A 104 -18.193 -0.696 -43.373 1.00 72.14 H new ATOM 0 HG LEU A 104 -19.967 -0.927 -40.918 1.00 20.21 H new ATOM 0 HD11 LEU A 104 -18.998 1.264 -40.322 1.00 1.30 H new ATOM 0 HD12 LEU A 104 -17.753 -0.001 -40.444 1.00 1.30 H new ATOM 0 HD13 LEU A 104 -17.949 1.183 -41.757 1.00 1.30 H new ATOM 0 HD21 LEU A 104 -21.042 1.150 -41.707 1.00 71.42 H new ATOM 0 HD22 LEU A 104 -20.091 1.065 -43.209 1.00 71.42 H new ATOM 0 HD23 LEU A 104 -21.290 -0.198 -42.842 1.00 71.42 H new ATOM 1589 N ALA A 105 -19.244 -4.302 -44.650 1.00 62.01 N ATOM 1590 CA ALA A 105 -18.570 -5.171 -45.617 1.00 15.02 C ATOM 1591 C ALA A 105 -19.412 -6.407 -45.912 1.00 14.10 C ATOM 1592 O ALA A 105 -20.561 -6.512 -45.477 1.00 75.53 O ATOM 1593 CB ALA A 105 -17.192 -5.582 -45.103 1.00 53.05 C ATOM 0 H ALA A 105 -20.000 -4.755 -44.136 1.00 62.01 H new ATOM 0 HA ALA A 105 -18.443 -4.610 -46.543 1.00 15.02 H new ATOM 0 HB1 ALA A 105 -16.708 -6.227 -45.836 1.00 53.05 H new ATOM 0 HB2 ALA A 105 -16.583 -4.692 -44.944 1.00 53.05 H new ATOM 0 HB3 ALA A 105 -17.301 -6.120 -44.161 1.00 53.05 H new ATOM 1599 N TYR A 106 -18.828 -7.345 -46.654 1.00 54.43 N ATOM 1600 CA TYR A 106 -19.499 -8.597 -47.006 1.00 22.33 C ATOM 1601 C TYR A 106 -19.516 -9.561 -45.816 1.00 52.22 C ATOM 1602 O TYR A 106 -20.103 -10.642 -45.893 1.00 2.43 O ATOM 1603 CB TYR A 106 -18.802 -9.253 -48.207 1.00 62.33 C ATOM 1604 CG TYR A 106 -17.418 -9.806 -47.893 1.00 72.41 C ATOM 1605 CD1 TYR A 106 -16.349 -8.958 -47.609 1.00 61.54 C ATOM 1606 CD2 TYR A 106 -17.183 -11.180 -47.877 1.00 15.41 C ATOM 1607 CE1 TYR A 106 -15.094 -9.462 -47.319 1.00 50.11 C ATOM 1608 CE2 TYR A 106 -15.932 -11.688 -47.587 1.00 43.13 C ATOM 1609 CZ TYR A 106 -14.891 -10.826 -47.310 1.00 60.03 C ATOM 1610 OH TYR A 106 -13.644 -11.331 -47.018 1.00 3.12 O ATOM 0 H TYR A 106 -17.882 -7.261 -47.027 1.00 54.43 H new ATOM 0 HA TYR A 106 -20.530 -8.367 -47.275 1.00 22.33 H new ATOM 0 HB2 TYR A 106 -19.429 -10.062 -48.581 1.00 62.33 H new ATOM 0 HB3 TYR A 106 -18.716 -8.520 -49.009 1.00 62.33 H new ATOM 0 HD1 TYR A 106 -16.503 -7.889 -47.615 1.00 61.54 H new ATOM 0 HD2 TYR A 106 -17.994 -11.859 -48.095 1.00 15.41 H new ATOM 0 HE1 TYR A 106 -14.277 -8.790 -47.101 1.00 50.11 H new ATOM 0 HE2 TYR A 106 -15.769 -12.756 -47.577 1.00 43.13 H new ATOM 0 HH TYR A 106 -13.178 -10.720 -46.410 1.00 3.12 H new ATOM 1620 N GLY A 107 -18.868 -9.156 -44.721 1.00 75.14 N ATOM 1621 CA GLY A 107 -18.762 -9.997 -43.535 1.00 10.44 C ATOM 1622 C GLY A 107 -20.109 -10.345 -42.930 1.00 30.53 C ATOM 1623 O GLY A 107 -20.232 -11.332 -42.205 1.00 60.22 O ATOM 0 H GLY A 107 -18.410 -8.249 -44.635 1.00 75.14 H new ATOM 0 HA2 GLY A 107 -18.239 -10.917 -43.795 1.00 10.44 H new ATOM 0 HA3 GLY A 107 -18.156 -9.486 -42.787 1.00 10.44 H new ATOM 1627 N GLU A 108 -21.117 -9.524 -43.217 1.00 42.23 N ATOM 1628 CA GLU A 108 -22.476 -9.780 -42.749 1.00 2.53 C ATOM 1629 C GLU A 108 -23.067 -10.994 -43.465 1.00 1.12 C ATOM 1630 O GLU A 108 -23.476 -11.967 -42.827 1.00 70.21 O ATOM 1631 CB GLU A 108 -23.361 -8.546 -42.988 1.00 42.32 C ATOM 1632 CG GLU A 108 -24.824 -8.740 -42.600 1.00 4.21 C ATOM 1633 CD GLU A 108 -25.693 -7.547 -42.969 1.00 31.05 C ATOM 1634 OE1 GLU A 108 -26.115 -7.451 -44.144 1.00 64.21 O ATOM 1635 OE2 GLU A 108 -25.957 -6.699 -42.088 1.00 42.51 O ATOM 0 H GLU A 108 -21.017 -8.674 -43.773 1.00 42.23 H new ATOM 0 HA GLU A 108 -22.440 -9.988 -41.680 1.00 2.53 H new ATOM 0 HB2 GLU A 108 -22.955 -7.707 -42.423 1.00 42.32 H new ATOM 0 HB3 GLU A 108 -23.309 -8.275 -44.042 1.00 42.32 H new ATOM 0 HG2 GLU A 108 -25.211 -9.632 -43.092 1.00 4.21 H new ATOM 0 HG3 GLU A 108 -24.891 -8.914 -41.526 1.00 4.21 H new ATOM 1642 N ARG A 109 -23.076 -10.935 -44.795 1.00 41.24 N ATOM 1643 CA ARG A 109 -23.697 -11.971 -45.620 1.00 2.14 C ATOM 1644 C ARG A 109 -22.814 -13.222 -45.687 1.00 64.15 C ATOM 1645 O ARG A 109 -23.286 -14.334 -45.446 1.00 50.12 O ATOM 1646 CB ARG A 109 -23.978 -11.410 -47.024 1.00 42.44 C ATOM 1647 CG ARG A 109 -24.886 -10.181 -46.998 1.00 24.32 C ATOM 1648 CD ARG A 109 -25.009 -9.506 -48.363 1.00 60.10 C ATOM 1649 NE ARG A 109 -25.742 -10.322 -49.335 1.00 12.51 N ATOM 1650 CZ ARG A 109 -27.072 -10.320 -49.469 1.00 71.52 C ATOM 1651 NH1 ARG A 109 -27.826 -9.588 -48.652 1.00 63.01 N ATOM 1652 NH2 ARG A 109 -27.646 -11.041 -50.425 1.00 72.20 N ATOM 0 H ARG A 109 -22.656 -10.174 -45.329 1.00 41.24 H new ATOM 0 HA ARG A 109 -24.642 -12.268 -45.166 1.00 2.14 H new ATOM 0 HB2 ARG A 109 -23.034 -11.149 -47.502 1.00 42.44 H new ATOM 0 HB3 ARG A 109 -24.441 -12.185 -47.635 1.00 42.44 H new ATOM 0 HG2 ARG A 109 -25.877 -10.475 -46.653 1.00 24.32 H new ATOM 0 HG3 ARG A 109 -24.497 -9.463 -46.276 1.00 24.32 H new ATOM 0 HD2 ARG A 109 -25.514 -8.548 -48.245 1.00 60.10 H new ATOM 0 HD3 ARG A 109 -24.012 -9.295 -48.750 1.00 60.10 H new ATOM 0 HE ARG A 109 -25.202 -10.931 -49.949 1.00 12.51 H new ATOM 0 HH11 ARG A 109 -27.389 -9.026 -47.921 1.00 63.01 H new ATOM 0 HH12 ARG A 109 -28.841 -9.589 -48.757 1.00 63.01 H new ATOM 0 HH21 ARG A 109 -27.072 -11.597 -51.058 1.00 72.20 H new ATOM 0 HH22 ARG A 109 -28.661 -11.038 -50.526 1.00 72.20 H new ATOM 1666 N GLY A 110 -21.535 -13.027 -45.997 1.00 51.44 N ATOM 1667 CA GLY A 110 -20.590 -14.136 -46.051 1.00 74.31 C ATOM 1668 C GLY A 110 -20.779 -15.013 -47.278 1.00 44.44 C ATOM 1669 O GLY A 110 -21.400 -16.074 -47.202 1.00 52.23 O ATOM 0 H GLY A 110 -21.132 -12.116 -46.214 1.00 51.44 H new ATOM 0 HA2 GLY A 110 -19.574 -13.742 -46.045 1.00 74.31 H new ATOM 0 HA3 GLY A 110 -20.701 -14.745 -45.154 1.00 74.31 H new ATOM 1673 N TYR A 111 -20.245 -14.563 -48.414 1.00 14.34 N ATOM 1674 CA TYR A 111 -20.339 -15.319 -49.666 1.00 51.25 C ATOM 1675 C TYR A 111 -19.345 -16.490 -49.702 1.00 15.01 C ATOM 1676 O TYR A 111 -19.737 -17.617 -50.017 1.00 51.22 O ATOM 1677 CB TYR A 111 -20.126 -14.401 -50.881 1.00 51.01 C ATOM 1678 CG TYR A 111 -21.237 -13.385 -51.083 1.00 1.55 C ATOM 1679 CD1 TYR A 111 -22.367 -13.705 -51.828 1.00 14.33 C ATOM 1680 CD2 TYR A 111 -21.160 -12.114 -50.522 1.00 62.24 C ATOM 1681 CE1 TYR A 111 -23.384 -12.790 -52.008 1.00 51.32 C ATOM 1682 CE2 TYR A 111 -22.176 -11.195 -50.702 1.00 42.35 C ATOM 1683 CZ TYR A 111 -23.285 -11.538 -51.445 1.00 75.40 C ATOM 1684 OH TYR A 111 -24.300 -10.625 -51.621 1.00 34.13 O ATOM 0 H TYR A 111 -19.743 -13.679 -48.494 1.00 14.34 H new ATOM 0 HA TYR A 111 -21.346 -15.734 -49.714 1.00 51.25 H new ATOM 0 HB2 TYR A 111 -19.180 -13.873 -50.764 1.00 51.01 H new ATOM 0 HB3 TYR A 111 -20.040 -15.015 -51.778 1.00 51.01 H new ATOM 0 HD1 TYR A 111 -22.450 -14.686 -52.273 1.00 14.33 H new ATOM 0 HD2 TYR A 111 -20.294 -11.842 -49.937 1.00 62.24 H new ATOM 0 HE1 TYR A 111 -24.255 -13.055 -52.589 1.00 51.32 H new ATOM 0 HE2 TYR A 111 -22.101 -10.211 -50.262 1.00 42.35 H new ATOM 0 HH TYR A 111 -25.100 -11.085 -51.952 1.00 34.13 H new ATOM 1694 N PRO A 112 -18.040 -16.257 -49.411 1.00 71.14 N ATOM 1695 CA PRO A 112 -17.036 -17.325 -49.412 1.00 74.05 C ATOM 1696 C PRO A 112 -17.126 -18.183 -48.143 1.00 44.53 C ATOM 1697 O PRO A 112 -17.115 -17.649 -47.038 1.00 35.22 O ATOM 1698 CB PRO A 112 -15.688 -16.570 -49.464 1.00 3.14 C ATOM 1699 CG PRO A 112 -16.035 -15.120 -49.611 1.00 55.31 C ATOM 1700 CD PRO A 112 -17.426 -14.968 -49.064 1.00 34.32 C ATOM 0 HA PRO A 112 -17.171 -18.015 -50.245 1.00 74.05 H new ATOM 0 HB2 PRO A 112 -15.108 -16.743 -48.557 1.00 3.14 H new ATOM 0 HB3 PRO A 112 -15.080 -16.913 -50.301 1.00 3.14 H new ATOM 0 HG2 PRO A 112 -15.330 -14.493 -49.064 1.00 55.31 H new ATOM 0 HG3 PRO A 112 -15.991 -14.813 -50.656 1.00 55.31 H new ATOM 0 HD2 PRO A 112 -17.423 -14.795 -47.988 1.00 34.32 H new ATOM 0 HD3 PRO A 112 -17.953 -14.130 -49.520 1.00 34.32 H new ATOM 1708 N PRO A 113 -17.205 -19.522 -48.286 1.00 75.52 N ATOM 1709 CA PRO A 113 -17.309 -20.444 -47.140 1.00 14.13 C ATOM 1710 C PRO A 113 -16.099 -20.374 -46.197 1.00 51.33 C ATOM 1711 O PRO A 113 -16.126 -20.936 -45.101 1.00 50.55 O ATOM 1712 CB PRO A 113 -17.414 -21.833 -47.794 1.00 71.32 C ATOM 1713 CG PRO A 113 -16.879 -21.653 -49.174 1.00 43.15 C ATOM 1714 CD PRO A 113 -17.232 -20.245 -49.569 1.00 14.23 C ATOM 0 HA PRO A 113 -18.160 -20.194 -46.507 1.00 14.13 H new ATOM 0 HB2 PRO A 113 -16.837 -22.574 -47.241 1.00 71.32 H new ATOM 0 HB3 PRO A 113 -18.446 -22.183 -47.814 1.00 71.32 H new ATOM 0 HG2 PRO A 113 -15.800 -21.807 -49.199 1.00 43.15 H new ATOM 0 HG3 PRO A 113 -17.320 -22.375 -49.862 1.00 43.15 H new ATOM 0 HD2 PRO A 113 -16.515 -19.833 -50.279 1.00 14.23 H new ATOM 0 HD3 PRO A 113 -18.213 -20.193 -50.041 1.00 14.23 H new ATOM 1722 N VAL A 114 -15.032 -19.708 -46.635 1.00 63.42 N ATOM 1723 CA VAL A 114 -13.859 -19.490 -45.785 1.00 23.21 C ATOM 1724 C VAL A 114 -14.086 -18.304 -44.844 1.00 74.31 C ATOM 1725 O VAL A 114 -13.389 -18.148 -43.841 1.00 2.15 O ATOM 1726 CB VAL A 114 -12.575 -19.249 -46.624 1.00 34.22 C ATOM 1727 CG1 VAL A 114 -12.223 -20.492 -47.438 1.00 33.32 C ATOM 1728 CG2 VAL A 114 -12.737 -18.032 -47.536 1.00 53.14 C ATOM 0 H VAL A 114 -14.954 -19.310 -47.571 1.00 63.42 H new ATOM 0 HA VAL A 114 -13.717 -20.397 -45.197 1.00 23.21 H new ATOM 0 HB VAL A 114 -11.754 -19.046 -45.936 1.00 34.22 H new ATOM 0 HG11 VAL A 114 -11.320 -20.303 -48.019 1.00 33.32 H new ATOM 0 HG12 VAL A 114 -12.052 -21.332 -46.764 1.00 33.32 H new ATOM 0 HG13 VAL A 114 -13.045 -20.730 -48.113 1.00 33.32 H new ATOM 0 HG21 VAL A 114 -11.824 -17.885 -48.113 1.00 53.14 H new ATOM 0 HG22 VAL A 114 -13.573 -18.196 -48.216 1.00 53.14 H new ATOM 0 HG23 VAL A 114 -12.930 -17.147 -46.930 1.00 53.14 H new ATOM 1738 N ILE A 115 -15.069 -17.476 -45.183 1.00 51.04 N ATOM 1739 CA ILE A 115 -15.417 -16.299 -44.393 1.00 15.41 C ATOM 1740 C ILE A 115 -16.713 -16.554 -43.619 1.00 5.40 C ATOM 1741 O ILE A 115 -17.740 -16.883 -44.214 1.00 35.31 O ATOM 1742 CB ILE A 115 -15.598 -15.048 -45.297 1.00 64.33 C ATOM 1743 CG1 ILE A 115 -14.311 -14.760 -46.095 1.00 53.33 C ATOM 1744 CG2 ILE A 115 -16.009 -13.827 -44.468 1.00 50.30 C ATOM 1745 CD1 ILE A 115 -13.105 -14.447 -45.231 1.00 54.20 C ATOM 0 H ILE A 115 -15.647 -17.602 -46.014 1.00 51.04 H new ATOM 0 HA ILE A 115 -14.600 -16.110 -43.697 1.00 15.41 H new ATOM 0 HB ILE A 115 -16.399 -15.258 -46.006 1.00 64.33 H new ATOM 0 HG12 ILE A 115 -14.083 -15.623 -46.720 1.00 53.33 H new ATOM 0 HG13 ILE A 115 -14.492 -13.920 -46.766 1.00 53.33 H new ATOM 0 HG21 ILE A 115 -16.129 -12.965 -45.124 1.00 50.30 H new ATOM 0 HG22 ILE A 115 -16.952 -14.032 -43.962 1.00 50.30 H new ATOM 0 HG23 ILE A 115 -15.238 -13.614 -43.727 1.00 50.30 H new ATOM 0 HD11 ILE A 115 -12.241 -14.256 -45.868 1.00 54.20 H new ATOM 0 HD12 ILE A 115 -13.311 -13.565 -44.625 1.00 54.20 H new ATOM 0 HD13 ILE A 115 -12.895 -15.295 -44.579 1.00 54.20 H new ATOM 1757 N PRO A 116 -16.677 -16.437 -42.279 1.00 1.54 N ATOM 1758 CA PRO A 116 -17.874 -16.598 -41.443 1.00 4.42 C ATOM 1759 C PRO A 116 -18.853 -15.426 -41.601 1.00 1.54 C ATOM 1760 O PRO A 116 -18.451 -14.262 -41.535 1.00 44.24 O ATOM 1761 CB PRO A 116 -17.308 -16.650 -40.017 1.00 0.11 C ATOM 1762 CG PRO A 116 -16.014 -15.910 -40.091 1.00 2.34 C ATOM 1763 CD PRO A 116 -15.469 -16.160 -41.472 1.00 73.41 C ATOM 0 HA PRO A 116 -18.450 -17.483 -41.714 1.00 4.42 H new ATOM 0 HB2 PRO A 116 -17.989 -16.185 -39.304 1.00 0.11 H new ATOM 0 HB3 PRO A 116 -17.157 -17.678 -39.689 1.00 0.11 H new ATOM 0 HG2 PRO A 116 -16.164 -14.844 -39.918 1.00 2.34 H new ATOM 0 HG3 PRO A 116 -15.319 -16.262 -39.328 1.00 2.34 H new ATOM 0 HD2 PRO A 116 -14.924 -15.295 -41.850 1.00 73.41 H new ATOM 0 HD3 PRO A 116 -14.778 -17.003 -41.483 1.00 73.41 H new ATOM 1771 N PRO A 117 -20.150 -15.716 -41.833 1.00 32.11 N ATOM 1772 CA PRO A 117 -21.190 -14.684 -41.939 1.00 23.42 C ATOM 1773 C PRO A 117 -21.432 -13.973 -40.605 1.00 61.41 C ATOM 1774 O PRO A 117 -21.292 -14.578 -39.536 1.00 22.34 O ATOM 1775 CB PRO A 117 -22.449 -15.468 -42.364 1.00 44.33 C ATOM 1776 CG PRO A 117 -21.947 -16.795 -42.832 1.00 52.33 C ATOM 1777 CD PRO A 117 -20.705 -17.067 -42.032 1.00 32.41 C ATOM 0 HA PRO A 117 -20.910 -13.899 -42.642 1.00 23.42 H new ATOM 0 HB2 PRO A 117 -23.142 -15.581 -41.530 1.00 44.33 H new ATOM 0 HB3 PRO A 117 -22.987 -14.949 -43.157 1.00 44.33 H new ATOM 0 HG2 PRO A 117 -22.693 -17.574 -42.673 1.00 52.33 H new ATOM 0 HG3 PRO A 117 -21.728 -16.776 -43.900 1.00 52.33 H new ATOM 0 HD2 PRO A 117 -20.932 -17.556 -41.085 1.00 32.41 H new ATOM 0 HD3 PRO A 117 -20.012 -17.716 -42.567 1.00 32.41 H new ATOM 1785 N LYS A 118 -21.821 -12.698 -40.684 1.00 12.23 N ATOM 1786 CA LYS A 118 -22.077 -11.860 -39.508 1.00 22.13 C ATOM 1787 C LYS A 118 -20.797 -11.645 -38.695 1.00 41.51 C ATOM 1788 O LYS A 118 -20.849 -11.405 -37.488 1.00 20.11 O ATOM 1789 CB LYS A 118 -23.172 -12.484 -38.624 1.00 64.12 C ATOM 1790 CG LYS A 118 -24.498 -12.711 -39.347 1.00 0.22 C ATOM 1791 CD LYS A 118 -25.524 -13.391 -38.445 1.00 12.22 C ATOM 1792 CE LYS A 118 -25.016 -14.732 -37.923 1.00 54.44 C ATOM 1793 NZ LYS A 118 -24.731 -15.693 -39.025 1.00 73.32 N ATOM 0 H LYS A 118 -21.968 -12.215 -41.570 1.00 12.23 H new ATOM 0 HA LYS A 118 -22.424 -10.889 -39.860 1.00 22.13 H new ATOM 0 HB2 LYS A 118 -22.813 -13.438 -38.237 1.00 64.12 H new ATOM 0 HB3 LYS A 118 -23.344 -11.836 -37.765 1.00 64.12 H new ATOM 0 HG2 LYS A 118 -24.893 -11.755 -39.691 1.00 0.22 H new ATOM 0 HG3 LYS A 118 -24.329 -13.324 -40.233 1.00 0.22 H new ATOM 0 HD2 LYS A 118 -25.758 -12.738 -37.604 1.00 12.22 H new ATOM 0 HD3 LYS A 118 -26.451 -13.543 -38.998 1.00 12.22 H new ATOM 0 HE2 LYS A 118 -24.110 -14.573 -37.339 1.00 54.44 H new ATOM 0 HE3 LYS A 118 -25.758 -15.163 -37.250 1.00 54.44 H new ATOM 0 HZ1 LYS A 118 -24.637 -16.652 -38.634 1.00 73.32 H new ATOM 0 HZ2 LYS A 118 -25.511 -15.675 -39.712 1.00 73.32 H new ATOM 0 HZ3 LYS A 118 -23.846 -15.424 -39.500 1.00 73.32 H new ATOM 1807 N ALA A 119 -19.651 -11.699 -39.367 1.00 25.12 N ATOM 1808 CA ALA A 119 -18.358 -11.558 -38.698 1.00 55.24 C ATOM 1809 C ALA A 119 -17.670 -10.256 -39.094 1.00 12.24 C ATOM 1810 O ALA A 119 -17.843 -9.758 -40.208 1.00 74.12 O ATOM 1811 CB ALA A 119 -17.461 -12.748 -39.015 1.00 71.50 C ATOM 0 H ALA A 119 -19.589 -11.839 -40.375 1.00 25.12 H new ATOM 0 HA ALA A 119 -18.539 -11.531 -37.623 1.00 55.24 H new ATOM 0 HB1 ALA A 119 -16.503 -12.627 -38.509 1.00 71.50 H new ATOM 0 HB2 ALA A 119 -17.939 -13.666 -38.672 1.00 71.50 H new ATOM 0 HB3 ALA A 119 -17.298 -12.804 -40.091 1.00 71.50 H new ATOM 1817 N THR A 120 -16.892 -9.708 -38.164 1.00 51.12 N ATOM 1818 CA THR A 120 -16.129 -8.492 -38.407 1.00 71.23 C ATOM 1819 C THR A 120 -14.821 -8.834 -39.120 1.00 20.24 C ATOM 1820 O THR A 120 -14.108 -9.757 -38.712 1.00 3.02 O ATOM 1821 CB THR A 120 -15.841 -7.757 -37.075 1.00 65.31 C ATOM 1822 OG1 THR A 120 -17.084 -7.449 -36.426 1.00 65.31 O ATOM 1823 CG2 THR A 120 -15.049 -6.469 -37.294 1.00 44.33 C ATOM 0 H THR A 120 -16.775 -10.093 -37.227 1.00 51.12 H new ATOM 0 HA THR A 120 -16.716 -7.829 -39.043 1.00 71.23 H new ATOM 0 HB THR A 120 -15.238 -8.416 -36.451 1.00 65.31 H new ATOM 0 HG1 THR A 120 -16.906 -6.985 -35.581 1.00 65.31 H new ATOM 0 HG21 THR A 120 -14.869 -5.985 -36.334 1.00 44.33 H new ATOM 0 HG22 THR A 120 -14.095 -6.704 -37.767 1.00 44.33 H new ATOM 0 HG23 THR A 120 -15.617 -5.798 -37.938 1.00 44.33 H new ATOM 1831 N LEU A 121 -14.510 -8.098 -40.183 1.00 2.41 N ATOM 1832 CA LEU A 121 -13.361 -8.410 -41.032 1.00 73.03 C ATOM 1833 C LEU A 121 -12.358 -7.254 -40.992 1.00 70.13 C ATOM 1834 O LEU A 121 -12.745 -6.084 -40.997 1.00 70.31 O ATOM 1835 CB LEU A 121 -13.844 -8.681 -42.477 1.00 5.25 C ATOM 1836 CG LEU A 121 -13.024 -9.704 -43.299 1.00 44.23 C ATOM 1837 CD1 LEU A 121 -11.624 -9.186 -43.616 1.00 63.11 C ATOM 1838 CD2 LEU A 121 -12.954 -11.048 -42.572 1.00 11.54 C ATOM 0 H LEU A 121 -15.039 -7.278 -40.479 1.00 2.41 H new ATOM 0 HA LEU A 121 -12.861 -9.306 -40.663 1.00 73.03 H new ATOM 0 HB2 LEU A 121 -14.876 -9.028 -42.432 1.00 5.25 H new ATOM 0 HB3 LEU A 121 -13.849 -7.735 -43.018 1.00 5.25 H new ATOM 0 HG LEU A 121 -13.539 -9.849 -44.249 1.00 44.23 H new ATOM 0 HD11 LEU A 121 -11.081 -9.934 -44.194 1.00 63.11 H new ATOM 0 HD12 LEU A 121 -11.699 -8.265 -44.194 1.00 63.11 H new ATOM 0 HD13 LEU A 121 -11.090 -8.988 -42.687 1.00 63.11 H new ATOM 0 HD21 LEU A 121 -12.373 -11.753 -43.166 1.00 11.54 H new ATOM 0 HD22 LEU A 121 -12.477 -10.912 -41.601 1.00 11.54 H new ATOM 0 HD23 LEU A 121 -13.962 -11.437 -42.429 1.00 11.54 H new ATOM 1850 N VAL A 122 -11.073 -7.585 -40.939 1.00 31.41 N ATOM 1851 CA VAL A 122 -10.015 -6.582 -40.876 1.00 43.23 C ATOM 1852 C VAL A 122 -9.294 -6.489 -42.220 1.00 70.11 C ATOM 1853 O VAL A 122 -9.036 -7.502 -42.864 1.00 44.44 O ATOM 1854 CB VAL A 122 -8.998 -6.924 -39.757 1.00 61.11 C ATOM 1855 CG1 VAL A 122 -7.828 -5.944 -39.759 1.00 50.24 C ATOM 1856 CG2 VAL A 122 -9.689 -6.942 -38.392 1.00 74.23 C ATOM 0 H VAL A 122 -10.736 -8.548 -40.938 1.00 31.41 H new ATOM 0 HA VAL A 122 -10.473 -5.619 -40.648 1.00 43.23 H new ATOM 0 HB VAL A 122 -8.599 -7.919 -39.955 1.00 61.11 H new ATOM 0 HG11 VAL A 122 -7.131 -6.208 -38.964 1.00 50.24 H new ATOM 0 HG12 VAL A 122 -7.316 -5.990 -40.720 1.00 50.24 H new ATOM 0 HG13 VAL A 122 -8.200 -4.933 -39.594 1.00 50.24 H new ATOM 0 HG21 VAL A 122 -8.960 -7.184 -37.618 1.00 74.23 H new ATOM 0 HG22 VAL A 122 -10.121 -5.962 -38.190 1.00 74.23 H new ATOM 0 HG23 VAL A 122 -10.479 -7.693 -38.394 1.00 74.23 H new ATOM 1866 N PHE A 123 -8.984 -5.274 -42.647 1.00 33.02 N ATOM 1867 CA PHE A 123 -8.285 -5.061 -43.907 1.00 14.15 C ATOM 1868 C PHE A 123 -7.069 -4.175 -43.686 1.00 24.01 C ATOM 1869 O PHE A 123 -7.189 -3.079 -43.126 1.00 14.25 O ATOM 1870 CB PHE A 123 -9.214 -4.400 -44.937 1.00 30.11 C ATOM 1871 CG PHE A 123 -10.402 -5.243 -45.341 1.00 10.14 C ATOM 1872 CD1 PHE A 123 -10.309 -6.135 -46.400 1.00 52.10 C ATOM 1873 CD2 PHE A 123 -11.613 -5.132 -44.670 1.00 51.11 C ATOM 1874 CE1 PHE A 123 -11.399 -6.899 -46.778 1.00 34.12 C ATOM 1875 CE2 PHE A 123 -12.703 -5.893 -45.046 1.00 23.22 C ATOM 1876 CZ PHE A 123 -12.597 -6.776 -46.101 1.00 24.21 C ATOM 0 H PHE A 123 -9.206 -4.418 -42.139 1.00 33.02 H new ATOM 0 HA PHE A 123 -7.966 -6.031 -44.288 1.00 14.15 H new ATOM 0 HB2 PHE A 123 -9.576 -3.457 -44.528 1.00 30.11 H new ATOM 0 HB3 PHE A 123 -8.635 -4.160 -45.829 1.00 30.11 H new ATOM 0 HD1 PHE A 123 -9.376 -6.234 -46.935 1.00 52.10 H new ATOM 0 HD2 PHE A 123 -11.704 -4.442 -43.844 1.00 51.11 H new ATOM 0 HE1 PHE A 123 -11.313 -7.591 -47.602 1.00 34.12 H new ATOM 0 HE2 PHE A 123 -13.638 -5.797 -44.514 1.00 23.22 H new ATOM 0 HZ PHE A 123 -13.449 -7.370 -46.397 1.00 24.21 H new ATOM 1886 N GLU A 124 -5.899 -4.651 -44.098 1.00 64.31 N ATOM 1887 CA GLU A 124 -4.727 -3.794 -44.159 1.00 51.31 C ATOM 1888 C GLU A 124 -4.893 -2.894 -45.374 1.00 24.30 C ATOM 1889 O GLU A 124 -4.809 -3.359 -46.515 1.00 64.22 O ATOM 1890 CB GLU A 124 -3.418 -4.607 -44.271 1.00 15.04 C ATOM 1891 CG GLU A 124 -2.154 -3.740 -44.257 1.00 23.21 C ATOM 1892 CD GLU A 124 -0.865 -4.527 -44.475 1.00 12.02 C ATOM 1893 OE1 GLU A 124 -0.524 -5.377 -43.620 1.00 32.21 O ATOM 1894 OE2 GLU A 124 -0.165 -4.273 -45.483 1.00 21.31 O ATOM 0 H GLU A 124 -5.740 -5.615 -44.391 1.00 64.31 H new ATOM 0 HA GLU A 124 -4.651 -3.213 -43.240 1.00 51.31 H new ATOM 0 HB2 GLU A 124 -3.370 -5.318 -43.446 1.00 15.04 H new ATOM 0 HB3 GLU A 124 -3.439 -5.189 -45.192 1.00 15.04 H new ATOM 0 HG2 GLU A 124 -2.239 -2.978 -45.032 1.00 23.21 H new ATOM 0 HG3 GLU A 124 -2.093 -3.218 -43.302 1.00 23.21 H new ATOM 1901 N VAL A 125 -5.186 -1.626 -45.121 1.00 22.33 N ATOM 1902 CA VAL A 125 -5.438 -0.658 -46.177 1.00 0.42 C ATOM 1903 C VAL A 125 -4.314 0.367 -46.218 1.00 41.00 C ATOM 1904 O VAL A 125 -3.833 0.820 -45.178 1.00 20.15 O ATOM 1905 CB VAL A 125 -6.811 0.045 -45.987 1.00 20.05 C ATOM 1906 CG1 VAL A 125 -7.957 -0.929 -46.246 1.00 34.15 C ATOM 1907 CG2 VAL A 125 -6.934 0.635 -44.586 1.00 11.44 C ATOM 0 H VAL A 125 -5.255 -1.241 -44.179 1.00 22.33 H new ATOM 0 HA VAL A 125 -5.471 -1.191 -47.127 1.00 0.42 H new ATOM 0 HB VAL A 125 -6.871 0.858 -46.711 1.00 20.05 H new ATOM 0 HG11 VAL A 125 -8.909 -0.416 -46.107 1.00 34.15 H new ATOM 0 HG12 VAL A 125 -7.892 -1.304 -47.267 1.00 34.15 H new ATOM 0 HG13 VAL A 125 -7.890 -1.764 -45.548 1.00 34.15 H new ATOM 0 HG21 VAL A 125 -7.904 1.121 -44.480 1.00 11.44 H new ATOM 0 HG22 VAL A 125 -6.844 -0.161 -43.847 1.00 11.44 H new ATOM 0 HG23 VAL A 125 -6.142 1.367 -44.429 1.00 11.44 H new ATOM 1917 N GLU A 126 -3.882 0.712 -47.417 1.00 43.13 N ATOM 1918 CA GLU A 126 -2.726 1.574 -47.596 1.00 63.02 C ATOM 1919 C GLU A 126 -2.918 2.497 -48.792 1.00 75.21 C ATOM 1920 O GLU A 126 -3.221 2.038 -49.893 1.00 73.13 O ATOM 1921 CB GLU A 126 -1.488 0.688 -47.777 1.00 51.44 C ATOM 1922 CG GLU A 126 -0.218 1.429 -48.173 1.00 43.20 C ATOM 1923 CD GLU A 126 0.979 0.499 -48.263 1.00 3.30 C ATOM 1924 OE1 GLU A 126 0.841 -0.604 -48.841 1.00 32.43 O ATOM 1925 OE2 GLU A 126 2.053 0.842 -47.728 1.00 33.31 O ATOM 0 H GLU A 126 -4.317 0.406 -48.287 1.00 43.13 H new ATOM 0 HA GLU A 126 -2.598 2.209 -46.719 1.00 63.02 H new ATOM 0 HB2 GLU A 126 -1.303 0.153 -46.845 1.00 51.44 H new ATOM 0 HB3 GLU A 126 -1.705 -0.062 -48.537 1.00 51.44 H new ATOM 0 HG2 GLU A 126 -0.369 1.919 -49.135 1.00 43.20 H new ATOM 0 HG3 GLU A 126 -0.014 2.213 -47.444 1.00 43.20 H new ATOM 1932 N LEU A 127 -2.754 3.796 -48.574 1.00 44.31 N ATOM 1933 CA LEU A 127 -2.850 4.762 -49.662 1.00 71.21 C ATOM 1934 C LEU A 127 -1.537 4.745 -50.434 1.00 21.13 C ATOM 1935 O LEU A 127 -0.537 5.317 -49.990 1.00 72.31 O ATOM 1936 CB LEU A 127 -3.159 6.172 -49.116 1.00 2.35 C ATOM 1937 CG LEU A 127 -3.749 7.187 -50.125 1.00 62.44 C ATOM 1938 CD1 LEU A 127 -2.765 7.525 -51.240 1.00 31.13 C ATOM 1939 CD2 LEU A 127 -5.058 6.664 -50.711 1.00 41.12 C ATOM 0 H LEU A 127 -2.555 4.203 -47.660 1.00 44.31 H new ATOM 0 HA LEU A 127 -3.669 4.492 -50.329 1.00 71.21 H new ATOM 0 HB2 LEU A 127 -3.857 6.071 -48.285 1.00 2.35 H new ATOM 0 HB3 LEU A 127 -2.238 6.590 -48.710 1.00 2.35 H new ATOM 0 HG LEU A 127 -3.949 8.107 -49.576 1.00 62.44 H new ATOM 0 HD11 LEU A 127 -3.222 8.240 -51.924 1.00 31.13 H new ATOM 0 HD12 LEU A 127 -1.863 7.960 -50.810 1.00 31.13 H new ATOM 0 HD13 LEU A 127 -2.506 6.617 -51.784 1.00 31.13 H new ATOM 0 HD21 LEU A 127 -5.457 7.392 -51.418 1.00 41.12 H new ATOM 0 HD22 LEU A 127 -4.875 5.721 -51.226 1.00 41.12 H new ATOM 0 HD23 LEU A 127 -5.778 6.505 -49.908 1.00 41.12 H new ATOM 1951 N LEU A 128 -1.542 4.076 -51.581 1.00 14.43 N ATOM 1952 CA LEU A 128 -0.325 3.883 -52.359 1.00 30.41 C ATOM 1953 C LEU A 128 0.043 5.185 -53.062 1.00 2.23 C ATOM 1954 O LEU A 128 1.182 5.656 -52.974 1.00 15.42 O ATOM 1955 CB LEU A 128 -0.524 2.734 -53.373 1.00 73.21 C ATOM 1956 CG LEU A 128 0.753 2.147 -54.020 1.00 25.15 C ATOM 1957 CD1 LEU A 128 1.368 3.111 -55.036 1.00 61.42 C ATOM 1958 CD2 LEU A 128 1.772 1.765 -52.947 1.00 51.52 C ATOM 0 H LEU A 128 -2.376 3.658 -51.993 1.00 14.43 H new ATOM 0 HA LEU A 128 0.496 3.607 -51.697 1.00 30.41 H new ATOM 0 HB2 LEU A 128 -1.053 1.925 -52.870 1.00 73.21 H new ATOM 0 HB3 LEU A 128 -1.175 3.093 -54.170 1.00 73.21 H new ATOM 0 HG LEU A 128 0.464 1.246 -54.561 1.00 25.15 H new ATOM 0 HD11 LEU A 128 2.263 2.662 -55.468 1.00 61.42 H new ATOM 0 HD12 LEU A 128 0.646 3.315 -55.827 1.00 61.42 H new ATOM 0 HD13 LEU A 128 1.634 4.043 -54.538 1.00 61.42 H new ATOM 0 HD21 LEU A 128 2.663 1.354 -53.421 1.00 51.52 H new ATOM 0 HD22 LEU A 128 2.043 2.650 -52.371 1.00 51.52 H new ATOM 0 HD23 LEU A 128 1.338 1.018 -52.282 1.00 51.52 H new ATOM 1970 N ALA A 129 -0.935 5.775 -53.743 1.00 4.43 N ATOM 1971 CA ALA A 129 -0.716 7.011 -54.487 1.00 1.24 C ATOM 1972 C ALA A 129 -2.039 7.695 -54.813 1.00 55.22 C ATOM 1973 O ALA A 129 -3.089 7.050 -54.843 1.00 1.51 O ATOM 1974 CB ALA A 129 0.062 6.726 -55.767 1.00 14.11 C ATOM 0 H ALA A 129 -1.888 5.416 -53.795 1.00 4.43 H new ATOM 0 HA ALA A 129 -0.131 7.685 -53.861 1.00 1.24 H new ATOM 0 HB1 ALA A 129 0.218 7.657 -56.313 1.00 14.11 H new ATOM 0 HB2 ALA A 129 1.027 6.286 -55.516 1.00 14.11 H new ATOM 0 HB3 ALA A 129 -0.503 6.031 -56.389 1.00 14.11 H new ATOM 1980 N VAL A 130 -1.976 9.003 -55.039 1.00 71.35 N ATOM 1981 CA VAL A 130 -3.131 9.789 -55.455 1.00 3.33 C ATOM 1982 C VAL A 130 -2.655 11.048 -56.193 1.00 10.44 C ATOM 1983 O VAL A 130 -1.924 11.864 -55.590 1.00 70.32 O ATOM 1984 CB VAL A 130 -4.055 10.157 -54.256 1.00 20.24 C ATOM 1985 CG1 VAL A 130 -3.279 10.832 -53.123 1.00 51.34 C ATOM 1986 CG2 VAL A 130 -5.218 11.038 -54.717 1.00 32.12 C ATOM 1987 OXT VAL A 130 -2.970 11.192 -57.393 1.00 0.00 O ATOM 0 H VAL A 130 -1.120 9.549 -54.938 1.00 71.35 H new ATOM 0 HA VAL A 130 -3.731 9.180 -56.131 1.00 3.33 H new ATOM 0 HB VAL A 130 -4.461 9.225 -53.862 1.00 20.24 H new ATOM 0 HG11 VAL A 130 -3.961 11.072 -52.307 1.00 51.34 H new ATOM 0 HG12 VAL A 130 -2.503 10.157 -52.761 1.00 51.34 H new ATOM 0 HG13 VAL A 130 -2.819 11.748 -53.493 1.00 51.34 H new ATOM 0 HG21 VAL A 130 -5.850 11.282 -53.863 1.00 32.12 H new ATOM 0 HG22 VAL A 130 -4.827 11.957 -55.154 1.00 32.12 H new ATOM 0 HG23 VAL A 130 -5.806 10.503 -55.462 1.00 32.12 H new