USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 GLN :FLIP amide:sc= -0.412 F(o=-2.1,f=0.83) USER MOD Set 1.2: A 120 THR OG1 : rot 169:sc= 1.24 USER MOD Set 2.1: A 32 THR OG1 : rot -110:sc= 0.903 USER MOD Set 2.2: A 95 LYS NZ :NH3+ -135:sc= 0.899 (180deg=-2.99!) USER MOD Set 3.1: A 50 TYR OH : rot 180:sc= 0.189 USER MOD Set 3.2: A 68 LYS NZ :NH3+ 159:sc= 0.398 (180deg=-0.133) USER MOD Set 4.1: A 47 THR OG1 : rot 180:sc= 0.45 USER MOD Set 4.2: A 71 GLN : amide:sc= 0.666 K(o=1.1,f=-0.057) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= -0.04 (180deg=-0.193) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -112:sc= 0.176 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= 1.09 (180deg=0.752) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= 1.04 (180deg=0.972) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= -0.0038 (180deg=-0.0372) USER MOD Single : A 49 HIS : +bothHN:sc= -0.166 K(o=-0.17,f=-5.2!) USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= 1.16 (180deg=0.558) USER MOD Single : A 59 GLN : amide:sc= 0.288 K(o=0.29,f=-0.51) USER MOD Single : A 62 SER OG : rot 53:sc= 0.0469 USER MOD Single : A 63 SER OG : rot -132:sc= 1.28 USER MOD Single : A 65 SER OG : rot 171:sc= 0.942 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -150:sc= 2.37 (180deg=-0.577) USER MOD Single : A 85 GLN : amide:sc= -0.911 X(o=-0.91,f=-0.55) USER MOD Single : A 89 THR OG1 : rot -26:sc= 0.175 USER MOD Single : A 90 MET CE :methyl -178:sc= -2.78 (180deg=-2.78) USER MOD Single : A 91 THR OG1 : rot -90:sc= 0.11 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 X(o=0,f=-0.26) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 345 N GLN A 25 -17.741 -0.957 -34.402 1.00 52.11 N ATOM 346 CA GLN A 25 -16.377 -1.148 -33.914 1.00 33.31 C ATOM 347 C GLN A 25 -15.444 -0.212 -34.676 1.00 11.54 C ATOM 348 O GLN A 25 -15.649 0.034 -35.868 1.00 33.33 O ATOM 349 CB GLN A 25 -15.936 -2.607 -34.100 1.00 24.32 C ATOM 350 CG GLN A 25 -16.945 -3.625 -33.577 1.00 62.34 C ATOM 351 CD GLN A 25 -16.449 -5.055 -33.674 1.00 50.24 C ATOM 352 OE1 GLN A 25 -17.356 -5.978 -33.950 1.00 54.31 O flip ATOM 353 NE2 GLN A 25 -15.259 -5.326 -33.530 1.00 0.52 N flip ATOM 0 HA GLN A 25 -16.338 -0.918 -32.849 1.00 33.31 H new ATOM 0 HB2 GLN A 25 -15.763 -2.792 -35.160 1.00 24.32 H new ATOM 0 HB3 GLN A 25 -14.984 -2.757 -33.590 1.00 24.32 H new ATOM 0 HG2 GLN A 25 -17.177 -3.397 -32.537 1.00 62.34 H new ATOM 0 HG3 GLN A 25 -17.874 -3.530 -34.139 1.00 62.34 H new ATOM 0 HE21 GLN A 25 -14.590 -4.586 -33.318 1.00 0.52 H new ATOM 0 HE22 GLN A 25 -14.941 -6.291 -33.623 1.00 0.52 H new ATOM 362 N LEU A 26 -14.453 0.345 -33.989 1.00 30.13 N ATOM 363 CA LEU A 26 -13.512 1.266 -34.618 1.00 12.14 C ATOM 364 C LEU A 26 -12.125 1.116 -33.996 1.00 51.43 C ATOM 365 O LEU A 26 -11.894 1.547 -32.865 1.00 61.15 O ATOM 366 CB LEU A 26 -14.018 2.719 -34.494 1.00 71.53 C ATOM 367 CG LEU A 26 -13.406 3.746 -35.476 1.00 4.02 C ATOM 368 CD1 LEU A 26 -14.181 5.059 -35.421 1.00 1.33 C ATOM 369 CD2 LEU A 26 -11.924 3.999 -35.187 1.00 14.44 C ATOM 0 H LEU A 26 -14.280 0.176 -32.998 1.00 30.13 H new ATOM 0 HA LEU A 26 -13.437 1.021 -35.678 1.00 12.14 H new ATOM 0 HB2 LEU A 26 -15.099 2.717 -34.631 1.00 71.53 H new ATOM 0 HB3 LEU A 26 -13.826 3.062 -33.477 1.00 71.53 H new ATOM 0 HG LEU A 26 -13.481 3.324 -36.478 1.00 4.02 H new ATOM 0 HD11 LEU A 26 -13.739 5.772 -36.117 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -15.220 4.880 -35.696 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -14.138 5.465 -34.410 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -11.533 4.726 -35.899 1.00 14.44 H new ATOM 0 HD22 LEU A 26 -11.812 4.386 -34.174 1.00 14.44 H new ATOM 0 HD23 LEU A 26 -11.370 3.065 -35.281 1.00 14.44 H new ATOM 381 N GLU A 27 -11.220 0.481 -34.727 1.00 2.20 N ATOM 382 CA GLU A 27 -9.805 0.444 -34.365 1.00 14.02 C ATOM 383 C GLU A 27 -8.959 0.648 -35.615 1.00 65.33 C ATOM 384 O GLU A 27 -9.103 -0.091 -36.593 1.00 60.33 O ATOM 385 CB GLU A 27 -9.415 -0.881 -33.681 1.00 53.11 C ATOM 386 CG GLU A 27 -9.936 -1.029 -32.255 1.00 1.14 C ATOM 387 CD GLU A 27 -9.340 -2.232 -31.534 1.00 4.22 C ATOM 388 OE1 GLU A 27 -8.260 -2.091 -30.919 1.00 43.34 O ATOM 389 OE2 GLU A 27 -9.942 -3.323 -31.585 1.00 35.30 O ATOM 0 H GLU A 27 -11.442 -0.023 -35.586 1.00 2.20 H new ATOM 0 HA GLU A 27 -9.622 1.246 -33.650 1.00 14.02 H new ATOM 0 HB2 GLU A 27 -9.791 -1.710 -34.280 1.00 53.11 H new ATOM 0 HB3 GLU A 27 -8.328 -0.964 -33.669 1.00 53.11 H new ATOM 0 HG2 GLU A 27 -9.707 -0.124 -31.693 1.00 1.14 H new ATOM 0 HG3 GLU A 27 -11.022 -1.125 -32.277 1.00 1.14 H new ATOM 396 N LYS A 28 -8.111 1.671 -35.590 1.00 20.23 N ATOM 397 CA LYS A 28 -7.168 1.923 -36.674 1.00 1.42 C ATOM 398 C LYS A 28 -5.744 1.881 -36.123 1.00 24.22 C ATOM 399 O LYS A 28 -5.405 2.604 -35.181 1.00 43.22 O ATOM 400 CB LYS A 28 -7.445 3.271 -37.381 1.00 13.42 C ATOM 401 CG LYS A 28 -7.152 4.528 -36.554 1.00 53.12 C ATOM 402 CD LYS A 28 -8.192 4.773 -35.465 1.00 50.34 C ATOM 403 CE LYS A 28 -7.846 6.000 -34.627 1.00 71.00 C ATOM 404 NZ LYS A 28 -7.688 7.227 -35.457 1.00 31.34 N ATOM 0 H LYS A 28 -8.058 2.343 -34.825 1.00 20.23 H new ATOM 0 HA LYS A 28 -7.292 1.143 -37.426 1.00 1.42 H new ATOM 0 HB2 LYS A 28 -6.849 3.311 -38.293 1.00 13.42 H new ATOM 0 HB3 LYS A 28 -8.492 3.293 -37.683 1.00 13.42 H new ATOM 0 HG2 LYS A 28 -6.167 4.435 -36.096 1.00 53.12 H new ATOM 0 HG3 LYS A 28 -7.115 5.393 -37.216 1.00 53.12 H new ATOM 0 HD2 LYS A 28 -9.173 4.907 -35.921 1.00 50.34 H new ATOM 0 HD3 LYS A 28 -8.258 3.897 -34.820 1.00 50.34 H new ATOM 0 HE2 LYS A 28 -8.629 6.164 -33.886 1.00 71.00 H new ATOM 0 HE3 LYS A 28 -6.923 5.814 -34.079 1.00 71.00 H new ATOM 0 HZ1 LYS A 28 -7.656 8.063 -34.839 1.00 31.34 H new ATOM 0 HZ2 LYS A 28 -6.804 7.166 -36.002 1.00 31.34 H new ATOM 0 HZ3 LYS A 28 -8.493 7.310 -36.110 1.00 31.34 H new ATOM 418 N LYS A 29 -4.926 1.008 -36.686 1.00 10.31 N ATOM 419 CA LYS A 29 -3.557 0.830 -36.226 1.00 4.51 C ATOM 420 C LYS A 29 -2.579 1.227 -37.327 1.00 32.22 C ATOM 421 O LYS A 29 -2.469 0.541 -38.344 1.00 50.14 O ATOM 422 CB LYS A 29 -3.356 -0.634 -35.808 1.00 34.44 C ATOM 423 CG LYS A 29 -2.031 -0.922 -35.107 1.00 63.44 C ATOM 424 CD LYS A 29 -2.019 -2.322 -34.495 1.00 73.32 C ATOM 425 CE LYS A 29 -3.166 -2.505 -33.504 1.00 34.34 C ATOM 426 NZ LYS A 29 -3.201 -3.876 -32.928 1.00 5.41 N ATOM 0 H LYS A 29 -5.188 0.407 -37.468 1.00 10.31 H new ATOM 0 HA LYS A 29 -3.367 1.471 -35.365 1.00 4.51 H new ATOM 0 HB2 LYS A 29 -4.172 -0.924 -35.146 1.00 34.44 H new ATOM 0 HB3 LYS A 29 -3.426 -1.264 -36.695 1.00 34.44 H new ATOM 0 HG2 LYS A 29 -1.212 -0.828 -35.820 1.00 63.44 H new ATOM 0 HG3 LYS A 29 -1.861 -0.180 -34.327 1.00 63.44 H new ATOM 0 HD2 LYS A 29 -2.097 -3.068 -35.286 1.00 73.32 H new ATOM 0 HD3 LYS A 29 -1.068 -2.492 -33.989 1.00 73.32 H new ATOM 0 HE2 LYS A 29 -3.067 -1.777 -32.699 1.00 34.34 H new ATOM 0 HE3 LYS A 29 -4.112 -2.299 -34.005 1.00 34.34 H new ATOM 0 HZ1 LYS A 29 -3.996 -3.952 -32.262 1.00 5.41 H new ATOM 0 HZ2 LYS A 29 -3.322 -4.571 -33.692 1.00 5.41 H new ATOM 0 HZ3 LYS A 29 -2.310 -4.065 -32.427 1.00 5.41 H new ATOM 440 N VAL A 30 -1.880 2.338 -37.121 1.00 1.11 N ATOM 441 CA VAL A 30 -0.944 2.856 -38.113 1.00 62.04 C ATOM 442 C VAL A 30 0.241 1.905 -38.280 1.00 61.23 C ATOM 443 O VAL A 30 1.126 1.841 -37.426 1.00 52.32 O ATOM 444 CB VAL A 30 -0.432 4.270 -37.729 1.00 12.12 C ATOM 445 CG1 VAL A 30 0.519 4.818 -38.794 1.00 33.10 C ATOM 446 CG2 VAL A 30 -1.604 5.228 -37.505 1.00 70.43 C ATOM 0 H VAL A 30 -1.944 2.900 -36.272 1.00 1.11 H new ATOM 0 HA VAL A 30 -1.480 2.933 -39.059 1.00 62.04 H new ATOM 0 HB VAL A 30 0.123 4.184 -36.795 1.00 12.12 H new ATOM 0 HG11 VAL A 30 0.862 5.810 -38.500 1.00 33.10 H new ATOM 0 HG12 VAL A 30 1.376 4.152 -38.894 1.00 33.10 H new ATOM 0 HG13 VAL A 30 -0.003 4.883 -39.749 1.00 33.10 H new ATOM 0 HG21 VAL A 30 -1.222 6.213 -37.237 1.00 70.43 H new ATOM 0 HG22 VAL A 30 -2.192 5.303 -38.420 1.00 70.43 H new ATOM 0 HG23 VAL A 30 -2.233 4.851 -36.699 1.00 70.43 H new ATOM 456 N LEU A 31 0.235 1.156 -39.376 1.00 3.31 N ATOM 457 CA LEU A 31 1.308 0.210 -39.670 1.00 51.44 C ATOM 458 C LEU A 31 2.424 0.909 -40.447 1.00 63.53 C ATOM 459 O LEU A 31 3.574 0.459 -40.459 1.00 71.22 O ATOM 460 CB LEU A 31 0.752 -0.979 -40.471 1.00 73.13 C ATOM 461 CG LEU A 31 1.729 -2.148 -40.694 1.00 33.10 C ATOM 462 CD1 LEU A 31 2.169 -2.752 -39.362 1.00 41.32 C ATOM 463 CD2 LEU A 31 1.098 -3.215 -41.587 1.00 61.33 C ATOM 0 H LEU A 31 -0.503 1.185 -40.079 1.00 3.31 H new ATOM 0 HA LEU A 31 1.722 -0.165 -38.734 1.00 51.44 H new ATOM 0 HB2 LEU A 31 -0.130 -1.360 -39.956 1.00 73.13 H new ATOM 0 HB3 LEU A 31 0.421 -0.615 -41.444 1.00 73.13 H new ATOM 0 HG LEU A 31 2.614 -1.758 -41.198 1.00 33.10 H new ATOM 0 HD11 LEU A 31 2.859 -3.576 -39.546 1.00 41.32 H new ATOM 0 HD12 LEU A 31 2.667 -1.989 -38.763 1.00 41.32 H new ATOM 0 HD13 LEU A 31 1.296 -3.123 -38.825 1.00 41.32 H new ATOM 0 HD21 LEU A 31 1.805 -4.032 -41.732 1.00 61.33 H new ATOM 0 HD22 LEU A 31 0.193 -3.597 -41.114 1.00 61.33 H new ATOM 0 HD23 LEU A 31 0.845 -2.778 -42.553 1.00 61.33 H new ATOM 475 N THR A 32 2.068 2.014 -41.097 1.00 73.42 N ATOM 476 CA THR A 32 3.022 2.823 -41.845 1.00 63.14 C ATOM 477 C THR A 32 2.579 4.288 -41.833 1.00 74.03 C ATOM 478 O THR A 32 1.554 4.626 -42.424 1.00 24.43 O ATOM 479 CB THR A 32 3.135 2.338 -43.310 1.00 71.24 C ATOM 480 OG1 THR A 32 3.343 0.918 -43.340 1.00 42.12 O ATOM 481 CG2 THR A 32 4.275 3.041 -44.041 1.00 61.24 C ATOM 0 H THR A 32 1.113 2.372 -41.119 1.00 73.42 H new ATOM 0 HA THR A 32 3.997 2.724 -41.368 1.00 63.14 H new ATOM 0 HB THR A 32 2.203 2.583 -43.819 1.00 71.24 H new ATOM 0 HG1 THR A 32 4.257 0.727 -43.639 1.00 42.12 H new ATOM 0 HG21 THR A 32 4.328 2.678 -45.067 1.00 61.24 H new ATOM 0 HG22 THR A 32 4.096 4.116 -44.045 1.00 61.24 H new ATOM 0 HG23 THR A 32 5.217 2.832 -43.533 1.00 61.24 H new ATOM 489 N PRO A 33 3.322 5.166 -41.131 1.00 53.10 N ATOM 490 CA PRO A 33 3.018 6.602 -41.080 1.00 31.44 C ATOM 491 C PRO A 33 3.237 7.272 -42.437 1.00 3.51 C ATOM 492 O PRO A 33 4.349 7.260 -42.972 1.00 22.31 O ATOM 493 CB PRO A 33 4.003 7.153 -40.027 1.00 1.05 C ATOM 494 CG PRO A 33 4.532 5.950 -39.314 1.00 71.12 C ATOM 495 CD PRO A 33 4.503 4.836 -40.320 1.00 42.35 C ATOM 0 HA PRO A 33 1.975 6.795 -40.827 1.00 31.44 H new ATOM 0 HB2 PRO A 33 4.808 7.716 -40.498 1.00 1.05 H new ATOM 0 HB3 PRO A 33 3.502 7.831 -39.336 1.00 1.05 H new ATOM 0 HG2 PRO A 33 5.545 6.124 -38.951 1.00 71.12 H new ATOM 0 HG3 PRO A 33 3.919 5.709 -38.445 1.00 71.12 H new ATOM 0 HD2 PRO A 33 5.412 4.809 -40.921 1.00 42.35 H new ATOM 0 HD3 PRO A 33 4.407 3.861 -39.842 1.00 42.35 H new ATOM 503 N GLY A 34 2.172 7.838 -42.994 1.00 1.22 N ATOM 504 CA GLY A 34 2.262 8.481 -44.292 1.00 71.12 C ATOM 505 C GLY A 34 2.695 9.929 -44.199 1.00 51.22 C ATOM 506 O GLY A 34 2.978 10.431 -43.106 1.00 33.52 O ATOM 0 H GLY A 34 1.245 7.863 -42.568 1.00 1.22 H new ATOM 0 HA2 GLY A 34 2.969 7.934 -44.915 1.00 71.12 H new ATOM 0 HA3 GLY A 34 1.293 8.427 -44.787 1.00 71.12 H new ATOM 510 N ASP A 35 2.736 10.602 -45.346 1.00 1.32 N ATOM 511 CA ASP A 35 3.145 12.006 -45.413 1.00 65.45 C ATOM 512 C ASP A 35 2.250 12.884 -44.552 1.00 14.34 C ATOM 513 O ASP A 35 2.699 13.889 -44.002 1.00 32.43 O ATOM 514 CB ASP A 35 3.133 12.507 -46.865 1.00 64.24 C ATOM 515 CG ASP A 35 4.351 12.041 -47.647 1.00 72.41 C ATOM 516 OD1 ASP A 35 4.456 10.831 -47.933 1.00 51.11 O ATOM 517 OD2 ASP A 35 5.217 12.884 -47.963 1.00 4.21 O ATOM 0 H ASP A 35 2.489 10.196 -46.249 1.00 1.32 H new ATOM 0 HA ASP A 35 4.162 12.071 -45.026 1.00 65.45 H new ATOM 0 HB2 ASP A 35 2.229 12.154 -47.361 1.00 64.24 H new ATOM 0 HB3 ASP A 35 3.095 13.596 -46.871 1.00 64.24 H new ATOM 522 N GLY A 36 0.977 12.517 -44.451 1.00 33.03 N ATOM 523 CA GLY A 36 0.046 13.250 -43.610 1.00 42.44 C ATOM 524 C GLY A 36 -0.434 14.557 -44.230 1.00 51.13 C ATOM 525 O GLY A 36 -1.562 14.985 -43.973 1.00 23.41 O ATOM 0 H GLY A 36 0.570 11.719 -44.940 1.00 33.03 H new ATOM 0 HA2 GLY A 36 -0.817 12.618 -43.400 1.00 42.44 H new ATOM 0 HA3 GLY A 36 0.524 13.464 -42.654 1.00 42.44 H new ATOM 529 N VAL A 37 0.408 15.187 -45.051 1.00 62.44 N ATOM 530 CA VAL A 37 0.062 16.452 -45.699 1.00 70.24 C ATOM 531 C VAL A 37 -0.838 16.219 -46.913 1.00 51.32 C ATOM 532 O VAL A 37 -1.768 16.990 -47.168 1.00 73.24 O ATOM 533 CB VAL A 37 1.333 17.228 -46.136 1.00 11.24 C ATOM 534 CG1 VAL A 37 2.187 17.601 -44.927 1.00 11.54 C ATOM 535 CG2 VAL A 37 2.154 16.421 -47.138 1.00 52.31 C ATOM 0 H VAL A 37 1.338 14.839 -45.283 1.00 62.44 H new ATOM 0 HA VAL A 37 -0.479 17.051 -44.966 1.00 70.24 H new ATOM 0 HB VAL A 37 1.007 18.146 -46.624 1.00 11.24 H new ATOM 0 HG11 VAL A 37 3.072 18.144 -45.260 1.00 11.54 H new ATOM 0 HG12 VAL A 37 1.607 18.231 -44.252 1.00 11.54 H new ATOM 0 HG13 VAL A 37 2.493 16.695 -44.404 1.00 11.54 H new ATOM 0 HG21 VAL A 37 3.038 16.990 -47.426 1.00 52.31 H new ATOM 0 HG22 VAL A 37 2.461 15.479 -46.682 1.00 52.31 H new ATOM 0 HG23 VAL A 37 1.550 16.217 -48.022 1.00 52.31 H new ATOM 545 N THR A 38 -0.561 15.145 -47.649 1.00 10.01 N ATOM 546 CA THR A 38 -1.329 14.792 -48.835 1.00 12.05 C ATOM 547 C THR A 38 -2.762 14.410 -48.458 1.00 25.34 C ATOM 548 O THR A 38 -3.030 13.266 -48.087 1.00 54.22 O ATOM 549 CB THR A 38 -0.651 13.620 -49.581 1.00 44.23 C ATOM 550 OG1 THR A 38 -0.375 12.562 -48.650 1.00 15.11 O ATOM 551 CG2 THR A 38 0.649 14.065 -50.248 1.00 33.03 C ATOM 0 H THR A 38 0.200 14.499 -47.439 1.00 10.01 H new ATOM 0 HA THR A 38 -1.362 15.661 -49.492 1.00 12.05 H new ATOM 0 HB THR A 38 -1.329 13.269 -50.359 1.00 44.23 H new ATOM 0 HG1 THR A 38 0.594 12.473 -48.534 1.00 15.11 H new ATOM 0 HG21 THR A 38 1.102 13.218 -50.764 1.00 33.03 H new ATOM 0 HG22 THR A 38 0.437 14.857 -50.966 1.00 33.03 H new ATOM 0 HG23 THR A 38 1.338 14.438 -49.490 1.00 33.03 H new ATOM 559 N LYS A 39 -3.660 15.383 -48.515 1.00 43.31 N ATOM 560 CA LYS A 39 -5.055 15.174 -48.153 1.00 13.11 C ATOM 561 C LYS A 39 -5.923 15.037 -49.408 1.00 41.21 C ATOM 562 O LYS A 39 -6.032 15.980 -50.199 1.00 63.14 O ATOM 563 CB LYS A 39 -5.544 16.338 -47.279 1.00 22.03 C ATOM 564 CG LYS A 39 -4.894 16.386 -45.898 1.00 14.54 C ATOM 565 CD LYS A 39 -5.301 17.635 -45.117 1.00 41.50 C ATOM 566 CE LYS A 39 -4.694 18.904 -45.710 1.00 4.21 C ATOM 567 NZ LYS A 39 -3.208 18.862 -45.704 1.00 32.51 N ATOM 0 H LYS A 39 -3.444 16.335 -48.812 1.00 43.31 H new ATOM 0 HA LYS A 39 -5.138 14.248 -47.584 1.00 13.11 H new ATOM 0 HB2 LYS A 39 -5.346 17.277 -47.796 1.00 22.03 H new ATOM 0 HB3 LYS A 39 -6.625 16.261 -47.159 1.00 22.03 H new ATOM 0 HG2 LYS A 39 -5.176 15.497 -45.333 1.00 14.54 H new ATOM 0 HG3 LYS A 39 -3.810 16.364 -46.007 1.00 14.54 H new ATOM 0 HD2 LYS A 39 -6.388 17.721 -45.112 1.00 41.50 H new ATOM 0 HD3 LYS A 39 -4.984 17.533 -44.079 1.00 41.50 H new ATOM 0 HE2 LYS A 39 -5.050 19.033 -46.732 1.00 4.21 H new ATOM 0 HE3 LYS A 39 -5.035 19.770 -45.142 1.00 4.21 H new ATOM 0 HZ1 LYS A 39 -2.833 19.799 -45.954 1.00 32.51 H new ATOM 0 HZ2 LYS A 39 -2.872 18.596 -44.756 1.00 32.51 H new ATOM 0 HZ3 LYS A 39 -2.878 18.161 -46.398 1.00 32.51 H new ATOM 581 N PRO A 40 -6.537 13.855 -49.616 1.00 42.33 N ATOM 582 CA PRO A 40 -7.429 13.615 -50.757 1.00 34.02 C ATOM 583 C PRO A 40 -8.811 14.247 -50.558 1.00 15.53 C ATOM 584 O PRO A 40 -9.038 14.982 -49.590 1.00 20.24 O ATOM 585 CB PRO A 40 -7.522 12.086 -50.809 1.00 14.44 C ATOM 586 CG PRO A 40 -7.335 11.650 -49.393 1.00 71.04 C ATOM 587 CD PRO A 40 -6.399 12.653 -48.763 1.00 13.23 C ATOM 0 HA PRO A 40 -7.054 14.060 -51.679 1.00 34.02 H new ATOM 0 HB2 PRO A 40 -8.486 11.760 -51.200 1.00 14.44 H new ATOM 0 HB3 PRO A 40 -6.755 11.664 -51.459 1.00 14.44 H new ATOM 0 HG2 PRO A 40 -8.288 11.622 -48.865 1.00 71.04 H new ATOM 0 HG3 PRO A 40 -6.916 10.645 -49.347 1.00 71.04 H new ATOM 0 HD2 PRO A 40 -6.675 12.863 -47.730 1.00 13.23 H new ATOM 0 HD3 PRO A 40 -5.372 12.288 -48.751 1.00 13.23 H new ATOM 595 N GLN A 41 -9.728 13.957 -51.481 1.00 71.30 N ATOM 596 CA GLN A 41 -11.086 14.494 -51.428 1.00 74.23 C ATOM 597 C GLN A 41 -12.038 13.593 -52.212 1.00 54.51 C ATOM 598 O GLN A 41 -11.598 12.746 -52.999 1.00 73.51 O ATOM 599 CB GLN A 41 -11.128 15.918 -52.010 1.00 32.32 C ATOM 600 CG GLN A 41 -10.822 15.986 -53.507 1.00 20.14 C ATOM 601 CD GLN A 41 -10.839 17.403 -54.055 1.00 75.11 C ATOM 602 OE1 GLN A 41 -10.516 18.360 -53.352 1.00 42.13 O ATOM 603 NE2 GLN A 41 -11.227 17.550 -55.313 1.00 32.25 N ATOM 0 H GLN A 41 -9.552 13.348 -52.280 1.00 71.30 H new ATOM 0 HA GLN A 41 -11.399 14.530 -50.385 1.00 74.23 H new ATOM 0 HB2 GLN A 41 -12.115 16.344 -51.831 1.00 32.32 H new ATOM 0 HB3 GLN A 41 -10.411 16.540 -51.474 1.00 32.32 H new ATOM 0 HG2 GLN A 41 -9.844 15.543 -53.692 1.00 20.14 H new ATOM 0 HG3 GLN A 41 -11.552 15.385 -54.049 1.00 20.14 H new ATOM 0 HE21 GLN A 41 -11.487 16.733 -55.865 1.00 32.25 H new ATOM 0 HE22 GLN A 41 -11.265 18.480 -55.729 1.00 32.25 H new ATOM 612 N ALA A 42 -13.337 13.777 -51.994 1.00 32.14 N ATOM 613 CA ALA A 42 -14.352 13.035 -52.732 1.00 64.43 C ATOM 614 C ALA A 42 -14.406 13.513 -54.183 1.00 53.00 C ATOM 615 O ALA A 42 -14.532 14.713 -54.449 1.00 74.42 O ATOM 616 CB ALA A 42 -15.715 13.185 -52.064 1.00 22.33 C ATOM 0 H ALA A 42 -13.711 14.435 -51.311 1.00 32.14 H new ATOM 0 HA ALA A 42 -14.085 11.978 -52.726 1.00 64.43 H new ATOM 0 HB1 ALA A 42 -16.460 12.625 -52.628 1.00 22.33 H new ATOM 0 HB2 ALA A 42 -15.666 12.799 -51.046 1.00 22.33 H new ATOM 0 HB3 ALA A 42 -15.994 14.238 -52.040 1.00 22.33 H new ATOM 622 N GLY A 43 -14.313 12.569 -55.114 1.00 22.23 N ATOM 623 CA GLY A 43 -14.284 12.899 -56.526 1.00 40.21 C ATOM 624 C GLY A 43 -12.866 12.990 -57.053 1.00 65.14 C ATOM 625 O GLY A 43 -12.579 13.772 -57.962 1.00 43.04 O ATOM 0 H GLY A 43 -14.257 11.571 -54.912 1.00 22.23 H new ATOM 0 HA2 GLY A 43 -14.833 12.143 -57.087 1.00 40.21 H new ATOM 0 HA3 GLY A 43 -14.794 13.849 -56.688 1.00 40.21 H new ATOM 629 N LYS A 44 -11.974 12.191 -56.475 1.00 15.02 N ATOM 630 CA LYS A 44 -10.574 12.171 -56.880 1.00 4.12 C ATOM 631 C LYS A 44 -10.143 10.740 -57.199 1.00 2.42 C ATOM 632 O LYS A 44 -10.395 9.823 -56.416 1.00 21.32 O ATOM 633 CB LYS A 44 -9.685 12.762 -55.762 1.00 74.43 C ATOM 634 CG LYS A 44 -8.880 13.997 -56.177 1.00 13.21 C ATOM 635 CD LYS A 44 -7.900 13.698 -57.312 1.00 25.44 C ATOM 636 CE LYS A 44 -6.881 12.630 -56.927 1.00 74.31 C ATOM 637 NZ LYS A 44 -5.948 12.317 -58.043 1.00 24.40 N ATOM 0 H LYS A 44 -12.199 11.545 -55.719 1.00 15.02 H new ATOM 0 HA LYS A 44 -10.457 12.782 -57.775 1.00 4.12 H new ATOM 0 HB2 LYS A 44 -10.317 13.024 -54.913 1.00 74.43 H new ATOM 0 HB3 LYS A 44 -8.994 11.992 -55.419 1.00 74.43 H new ATOM 0 HG2 LYS A 44 -9.564 14.786 -56.490 1.00 13.21 H new ATOM 0 HG3 LYS A 44 -8.330 14.375 -55.315 1.00 13.21 H new ATOM 0 HD2 LYS A 44 -8.454 13.369 -58.191 1.00 25.44 H new ATOM 0 HD3 LYS A 44 -7.377 14.613 -57.589 1.00 25.44 H new ATOM 0 HE2 LYS A 44 -6.310 12.969 -56.063 1.00 74.31 H new ATOM 0 HE3 LYS A 44 -7.404 11.722 -56.627 1.00 74.31 H new ATOM 0 HZ1 LYS A 44 -5.147 11.761 -57.681 1.00 24.40 H new ATOM 0 HZ2 LYS A 44 -6.449 11.769 -58.771 1.00 24.40 H new ATOM 0 HZ3 LYS A 44 -5.594 13.202 -58.458 1.00 24.40 H new ATOM 651 N LYS A 45 -9.518 10.560 -58.357 1.00 31.54 N ATOM 652 CA LYS A 45 -8.978 9.261 -58.750 1.00 2.24 C ATOM 653 C LYS A 45 -7.711 8.971 -57.947 1.00 43.32 C ATOM 654 O LYS A 45 -6.678 9.605 -58.164 1.00 1.42 O ATOM 655 CB LYS A 45 -8.677 9.244 -60.260 1.00 23.45 C ATOM 656 CG LYS A 45 -8.088 7.928 -60.777 1.00 51.53 C ATOM 657 CD LYS A 45 -9.026 6.741 -60.555 1.00 61.23 C ATOM 658 CE LYS A 45 -10.390 6.951 -61.210 1.00 43.20 C ATOM 659 NZ LYS A 45 -10.291 7.156 -62.681 1.00 55.24 N ATOM 0 H LYS A 45 -9.372 11.300 -59.044 1.00 31.54 H new ATOM 0 HA LYS A 45 -9.715 8.486 -58.541 1.00 2.24 H new ATOM 0 HB2 LYS A 45 -9.599 9.453 -60.803 1.00 23.45 H new ATOM 0 HB3 LYS A 45 -7.982 10.052 -60.488 1.00 23.45 H new ATOM 0 HG2 LYS A 45 -7.873 8.023 -61.841 1.00 51.53 H new ATOM 0 HG3 LYS A 45 -7.139 7.736 -60.276 1.00 51.53 H new ATOM 0 HD2 LYS A 45 -8.567 5.838 -60.957 1.00 61.23 H new ATOM 0 HD3 LYS A 45 -9.160 6.581 -59.485 1.00 61.23 H new ATOM 0 HE2 LYS A 45 -11.023 6.087 -61.009 1.00 43.20 H new ATOM 0 HE3 LYS A 45 -10.877 7.815 -60.758 1.00 43.20 H new ATOM 0 HZ1 LYS A 45 -11.246 7.209 -63.089 1.00 55.24 H new ATOM 0 HZ2 LYS A 45 -9.782 8.042 -62.875 1.00 55.24 H new ATOM 0 HZ3 LYS A 45 -9.776 6.360 -63.108 1.00 55.24 H new ATOM 673 N VAL A 46 -7.807 8.030 -57.011 1.00 62.24 N ATOM 674 CA VAL A 46 -6.693 7.699 -56.123 1.00 12.10 C ATOM 675 C VAL A 46 -6.257 6.243 -56.304 1.00 64.05 C ATOM 676 O VAL A 46 -7.030 5.410 -56.795 1.00 45.11 O ATOM 677 CB VAL A 46 -7.070 7.937 -54.637 1.00 33.35 C ATOM 678 CG1 VAL A 46 -7.399 9.409 -54.391 1.00 13.43 C ATOM 679 CG2 VAL A 46 -8.235 7.037 -54.215 1.00 33.14 C ATOM 0 H VAL A 46 -8.650 7.480 -56.847 1.00 62.24 H new ATOM 0 HA VAL A 46 -5.865 8.356 -56.390 1.00 12.10 H new ATOM 0 HB VAL A 46 -6.208 7.676 -54.024 1.00 33.35 H new ATOM 0 HG11 VAL A 46 -7.661 9.553 -53.343 1.00 13.43 H new ATOM 0 HG12 VAL A 46 -6.531 10.022 -54.636 1.00 13.43 H new ATOM 0 HG13 VAL A 46 -8.240 9.704 -55.019 1.00 13.43 H new ATOM 0 HG21 VAL A 46 -8.479 7.224 -53.169 1.00 33.14 H new ATOM 0 HG22 VAL A 46 -9.105 7.253 -54.835 1.00 33.14 H new ATOM 0 HG23 VAL A 46 -7.951 5.992 -54.340 1.00 33.14 H new ATOM 689 N THR A 47 -5.018 5.950 -55.903 1.00 20.33 N ATOM 690 CA THR A 47 -4.457 4.604 -55.980 1.00 43.45 C ATOM 691 C THR A 47 -4.252 4.035 -54.573 1.00 3.34 C ATOM 692 O THR A 47 -3.449 4.562 -53.787 1.00 53.32 O ATOM 693 CB THR A 47 -3.107 4.621 -56.730 1.00 31.33 C ATOM 694 OG1 THR A 47 -3.268 5.279 -57.993 1.00 10.14 O ATOM 695 CG2 THR A 47 -2.570 3.210 -56.951 1.00 54.21 C ATOM 0 H THR A 47 -4.376 6.642 -55.516 1.00 20.33 H new ATOM 0 HA THR A 47 -5.158 3.973 -56.526 1.00 43.45 H new ATOM 0 HB THR A 47 -2.387 5.162 -56.116 1.00 31.33 H new ATOM 0 HG1 THR A 47 -2.411 5.290 -58.468 1.00 10.14 H new ATOM 0 HG21 THR A 47 -1.619 3.261 -57.481 1.00 54.21 H new ATOM 0 HG22 THR A 47 -2.422 2.722 -55.988 1.00 54.21 H new ATOM 0 HG23 THR A 47 -3.285 2.637 -57.542 1.00 54.21 H new ATOM 703 N VAL A 48 -4.981 2.962 -54.259 1.00 1.43 N ATOM 704 CA VAL A 48 -4.978 2.379 -52.919 1.00 41.03 C ATOM 705 C VAL A 48 -4.522 0.916 -52.939 1.00 2.14 C ATOM 706 O VAL A 48 -4.243 0.349 -53.997 1.00 5.01 O ATOM 707 CB VAL A 48 -6.389 2.454 -52.276 1.00 25.31 C ATOM 708 CG1 VAL A 48 -6.941 3.878 -52.346 1.00 2.44 C ATOM 709 CG2 VAL A 48 -7.350 1.459 -52.933 1.00 31.14 C ATOM 0 H VAL A 48 -5.585 2.477 -54.922 1.00 1.43 H new ATOM 0 HA VAL A 48 -4.273 2.962 -52.326 1.00 41.03 H new ATOM 0 HB VAL A 48 -6.295 2.178 -51.226 1.00 25.31 H new ATOM 0 HG11 VAL A 48 -7.930 3.907 -51.890 1.00 2.44 H new ATOM 0 HG12 VAL A 48 -6.274 4.553 -51.810 1.00 2.44 H new ATOM 0 HG13 VAL A 48 -7.013 4.190 -53.388 1.00 2.44 H new ATOM 0 HG21 VAL A 48 -8.330 1.534 -52.462 1.00 31.14 H new ATOM 0 HG22 VAL A 48 -7.439 1.687 -53.995 1.00 31.14 H new ATOM 0 HG23 VAL A 48 -6.965 0.447 -52.810 1.00 31.14 H new ATOM 719 N HIS A 49 -4.452 0.327 -51.751 1.00 0.12 N ATOM 720 CA HIS A 49 -4.124 -1.083 -51.571 1.00 21.40 C ATOM 721 C HIS A 49 -4.825 -1.592 -50.316 1.00 62.51 C ATOM 722 O HIS A 49 -4.897 -0.885 -49.311 1.00 12.42 O ATOM 723 CB HIS A 49 -2.602 -1.269 -51.460 1.00 65.53 C ATOM 724 CG HIS A 49 -2.165 -2.658 -51.096 1.00 3.22 C ATOM 725 ND1 HIS A 49 -1.202 -2.908 -50.145 1.00 4.14 N ATOM 726 CD2 HIS A 49 -2.550 -3.869 -51.566 1.00 44.34 C ATOM 727 CE1 HIS A 49 -1.012 -4.210 -50.045 1.00 71.41 C ATOM 728 NE2 HIS A 49 -1.818 -4.817 -50.897 1.00 60.41 N ATOM 0 H HIS A 49 -4.623 0.821 -50.875 1.00 0.12 H new ATOM 0 HA HIS A 49 -4.465 -1.655 -52.434 1.00 21.40 H new ATOM 0 HB2 HIS A 49 -2.146 -0.997 -52.412 1.00 65.53 H new ATOM 0 HB3 HIS A 49 -2.218 -0.574 -50.713 1.00 65.53 H new ATOM 0 HD1 HIS A 49 -0.711 -2.197 -49.602 1.00 4.14 H new ATOM 0 HD2 HIS A 49 -3.295 -4.054 -52.326 1.00 44.34 H new ATOM 0 HE1 HIS A 49 -0.315 -4.697 -49.379 1.00 71.41 H new ATOM 0 HE2 HIS A 49 -1.885 -5.825 -51.035 1.00 60.41 H new ATOM 737 N TYR A 50 -5.354 -2.806 -50.383 1.00 14.34 N ATOM 738 CA TYR A 50 -6.117 -3.382 -49.279 1.00 11.42 C ATOM 739 C TYR A 50 -5.745 -4.846 -49.069 1.00 70.24 C ATOM 740 O TYR A 50 -5.251 -5.500 -49.991 1.00 63.33 O ATOM 741 CB TYR A 50 -7.623 -3.260 -49.570 1.00 61.52 C ATOM 742 CG TYR A 50 -8.025 -3.834 -50.922 1.00 44.20 C ATOM 743 CD1 TYR A 50 -8.380 -5.174 -51.062 1.00 44.43 C ATOM 744 CD2 TYR A 50 -8.033 -3.035 -52.061 1.00 71.34 C ATOM 745 CE1 TYR A 50 -8.729 -5.696 -52.292 1.00 51.13 C ATOM 746 CE2 TYR A 50 -8.378 -3.553 -53.294 1.00 2.23 C ATOM 747 CZ TYR A 50 -8.726 -4.882 -53.404 1.00 62.13 C ATOM 748 OH TYR A 50 -9.062 -5.402 -54.633 1.00 33.15 O ATOM 0 H TYR A 50 -5.269 -3.417 -51.196 1.00 14.34 H new ATOM 0 HA TYR A 50 -5.877 -2.833 -48.368 1.00 11.42 H new ATOM 0 HB2 TYR A 50 -8.180 -3.773 -48.786 1.00 61.52 H new ATOM 0 HB3 TYR A 50 -7.910 -2.209 -49.530 1.00 61.52 H new ATOM 0 HD1 TYR A 50 -8.382 -5.816 -50.193 1.00 44.43 H new ATOM 0 HD2 TYR A 50 -7.765 -1.992 -51.980 1.00 71.34 H new ATOM 0 HE1 TYR A 50 -9.003 -6.737 -52.382 1.00 51.13 H new ATOM 0 HE2 TYR A 50 -8.375 -2.919 -54.168 1.00 2.23 H new ATOM 0 HH TYR A 50 -9.011 -4.697 -55.312 1.00 33.15 H new ATOM 758 N ASP A 51 -5.964 -5.338 -47.854 1.00 4.52 N ATOM 759 CA ASP A 51 -5.811 -6.764 -47.537 1.00 51.23 C ATOM 760 C ASP A 51 -6.728 -7.115 -46.363 1.00 52.23 C ATOM 761 O ASP A 51 -7.158 -6.220 -45.635 1.00 72.43 O ATOM 762 CB ASP A 51 -4.345 -7.100 -47.201 1.00 43.42 C ATOM 763 CG ASP A 51 -4.051 -8.599 -47.211 1.00 52.30 C ATOM 764 OD1 ASP A 51 -4.910 -9.384 -47.658 1.00 62.22 O ATOM 765 OD2 ASP A 51 -2.935 -8.992 -46.817 1.00 54.15 O ATOM 0 H ASP A 51 -6.252 -4.766 -47.060 1.00 4.52 H new ATOM 0 HA ASP A 51 -6.092 -7.357 -48.408 1.00 51.23 H new ATOM 0 HB2 ASP A 51 -3.692 -6.604 -47.919 1.00 43.42 H new ATOM 0 HB3 ASP A 51 -4.103 -6.696 -46.218 1.00 43.42 H new ATOM 770 N GLY A 52 -7.033 -8.398 -46.184 1.00 64.23 N ATOM 771 CA GLY A 52 -7.976 -8.803 -45.150 1.00 20.04 C ATOM 772 C GLY A 52 -7.475 -9.955 -44.300 1.00 41.33 C ATOM 773 O GLY A 52 -6.705 -10.796 -44.770 1.00 22.22 O ATOM 0 H GLY A 52 -6.646 -9.165 -46.734 1.00 64.23 H new ATOM 0 HA2 GLY A 52 -8.187 -7.950 -44.505 1.00 20.04 H new ATOM 0 HA3 GLY A 52 -8.918 -9.089 -45.618 1.00 20.04 H new ATOM 777 N ARG A 53 -7.928 -10.000 -43.048 1.00 44.32 N ATOM 778 CA ARG A 53 -7.566 -11.060 -42.113 1.00 1.42 C ATOM 779 C ARG A 53 -8.719 -11.311 -41.139 1.00 33.53 C ATOM 780 O ARG A 53 -9.552 -10.424 -40.898 1.00 63.13 O ATOM 781 CB ARG A 53 -6.284 -10.692 -41.341 1.00 71.31 C ATOM 782 CG ARG A 53 -5.748 -11.828 -40.469 1.00 52.10 C ATOM 783 CD ARG A 53 -4.411 -11.484 -39.814 1.00 42.02 C ATOM 784 NE ARG A 53 -4.545 -10.515 -38.722 1.00 21.24 N ATOM 785 CZ ARG A 53 -3.552 -9.731 -38.295 1.00 61.51 C ATOM 786 NH1 ARG A 53 -2.380 -9.732 -38.922 1.00 32.45 N ATOM 787 NH2 ARG A 53 -3.735 -8.937 -37.249 1.00 4.41 N ATOM 0 H ARG A 53 -8.557 -9.300 -42.654 1.00 44.32 H new ATOM 0 HA ARG A 53 -7.373 -11.972 -42.678 1.00 1.42 H new ATOM 0 HB2 ARG A 53 -5.513 -10.397 -42.053 1.00 71.31 H new ATOM 0 HB3 ARG A 53 -6.485 -9.825 -40.711 1.00 71.31 H new ATOM 0 HG2 ARG A 53 -6.478 -12.062 -39.695 1.00 52.10 H new ATOM 0 HG3 ARG A 53 -5.630 -12.724 -41.078 1.00 52.10 H new ATOM 0 HD2 ARG A 53 -3.955 -12.396 -39.430 1.00 42.02 H new ATOM 0 HD3 ARG A 53 -3.735 -11.083 -40.569 1.00 42.02 H new ATOM 0 HE ARG A 53 -5.451 -10.435 -38.261 1.00 21.24 H new ATOM 0 HH11 ARG A 53 -2.236 -10.333 -39.733 1.00 32.45 H new ATOM 0 HH12 ARG A 53 -1.625 -9.131 -38.592 1.00 32.45 H new ATOM 0 HH21 ARG A 53 -4.635 -8.925 -36.769 1.00 4.41 H new ATOM 0 HH22 ARG A 53 -2.976 -8.339 -36.924 1.00 4.41 H new ATOM 801 N PHE A 54 -8.769 -12.523 -40.594 1.00 54.13 N ATOM 802 CA PHE A 54 -9.812 -12.911 -39.653 1.00 71.03 C ATOM 803 C PHE A 54 -9.411 -12.531 -38.225 1.00 14.50 C ATOM 804 O PHE A 54 -8.221 -12.493 -37.901 1.00 62.12 O ATOM 805 CB PHE A 54 -10.078 -14.419 -39.754 1.00 75.12 C ATOM 806 CG PHE A 54 -10.623 -14.847 -41.095 1.00 4.21 C ATOM 807 CD1 PHE A 54 -9.765 -15.152 -42.145 1.00 10.32 C ATOM 808 CD2 PHE A 54 -11.993 -14.945 -41.308 1.00 43.03 C ATOM 809 CE1 PHE A 54 -10.261 -15.543 -43.374 1.00 10.31 C ATOM 810 CE2 PHE A 54 -12.492 -15.335 -42.536 1.00 64.24 C ATOM 811 CZ PHE A 54 -11.626 -15.636 -43.569 1.00 33.43 C ATOM 0 H PHE A 54 -8.091 -13.259 -40.791 1.00 54.13 H new ATOM 0 HA PHE A 54 -10.728 -12.377 -39.905 1.00 71.03 H new ATOM 0 HB2 PHE A 54 -9.150 -14.957 -39.559 1.00 75.12 H new ATOM 0 HB3 PHE A 54 -10.784 -14.708 -38.975 1.00 75.12 H new ATOM 0 HD1 PHE A 54 -8.697 -15.083 -41.998 1.00 10.32 H new ATOM 0 HD2 PHE A 54 -12.676 -14.713 -40.504 1.00 43.03 H new ATOM 0 HE1 PHE A 54 -9.583 -15.776 -44.181 1.00 10.31 H new ATOM 0 HE2 PHE A 54 -13.559 -15.404 -42.688 1.00 64.24 H new ATOM 0 HZ PHE A 54 -12.015 -15.944 -44.528 1.00 33.43 H new ATOM 821 N PRO A 55 -10.401 -12.236 -37.358 1.00 32.51 N ATOM 822 CA PRO A 55 -10.150 -11.831 -35.965 1.00 12.25 C ATOM 823 C PRO A 55 -9.332 -12.861 -35.182 1.00 74.21 C ATOM 824 O PRO A 55 -8.561 -12.502 -34.285 1.00 2.34 O ATOM 825 CB PRO A 55 -11.562 -11.700 -35.366 1.00 42.22 C ATOM 826 CG PRO A 55 -12.454 -11.475 -36.541 1.00 14.43 C ATOM 827 CD PRO A 55 -11.846 -12.258 -37.670 1.00 41.45 C ATOM 0 HA PRO A 55 -9.562 -10.914 -35.917 1.00 12.25 H new ATOM 0 HB2 PRO A 55 -11.846 -12.600 -34.820 1.00 42.22 H new ATOM 0 HB3 PRO A 55 -11.618 -10.870 -34.662 1.00 42.22 H new ATOM 0 HG2 PRO A 55 -13.469 -11.813 -36.332 1.00 14.43 H new ATOM 0 HG3 PRO A 55 -12.516 -10.415 -36.788 1.00 14.43 H new ATOM 0 HD2 PRO A 55 -12.234 -13.276 -37.709 1.00 41.45 H new ATOM 0 HD3 PRO A 55 -12.056 -11.800 -38.636 1.00 41.45 H new ATOM 835 N ASP A 56 -9.503 -14.138 -35.522 1.00 72.30 N ATOM 836 CA ASP A 56 -8.809 -15.218 -34.820 1.00 2.21 C ATOM 837 C ASP A 56 -7.307 -15.165 -35.095 1.00 31.10 C ATOM 838 O ASP A 56 -6.497 -15.368 -34.190 1.00 51.45 O ATOM 839 CB ASP A 56 -9.380 -16.593 -35.208 1.00 33.21 C ATOM 840 CG ASP A 56 -9.192 -16.930 -36.678 1.00 3.34 C ATOM 841 OD1 ASP A 56 -8.130 -17.474 -37.043 1.00 1.05 O ATOM 842 OD2 ASP A 56 -10.114 -16.664 -37.477 1.00 33.45 O ATOM 0 H ASP A 56 -10.114 -14.450 -36.277 1.00 72.30 H new ATOM 0 HA ASP A 56 -8.970 -15.076 -33.751 1.00 2.21 H new ATOM 0 HB2 ASP A 56 -8.900 -17.362 -34.602 1.00 33.21 H new ATOM 0 HB3 ASP A 56 -10.443 -16.617 -34.970 1.00 33.21 H new ATOM 847 N GLY A 57 -6.937 -14.867 -36.341 1.00 5.43 N ATOM 848 CA GLY A 57 -5.531 -14.755 -36.691 1.00 3.42 C ATOM 849 C GLY A 57 -5.215 -15.256 -38.090 1.00 52.54 C ATOM 850 O GLY A 57 -4.236 -14.818 -38.701 1.00 13.40 O ATOM 0 H GLY A 57 -7.585 -14.702 -37.111 1.00 5.43 H new ATOM 0 HA2 GLY A 57 -5.226 -13.712 -36.609 1.00 3.42 H new ATOM 0 HA3 GLY A 57 -4.939 -15.318 -35.969 1.00 3.42 H new ATOM 854 N LYS A 58 -6.024 -16.183 -38.602 1.00 22.23 N ATOM 855 CA LYS A 58 -5.783 -16.745 -39.933 1.00 64.14 C ATOM 856 C LYS A 58 -6.171 -15.746 -41.023 1.00 44.42 C ATOM 857 O LYS A 58 -6.877 -14.766 -40.765 1.00 32.12 O ATOM 858 CB LYS A 58 -6.551 -18.064 -40.131 1.00 2.04 C ATOM 859 CG LYS A 58 -8.064 -17.903 -40.263 1.00 64.13 C ATOM 860 CD LYS A 58 -8.755 -19.233 -40.567 1.00 2.12 C ATOM 861 CE LYS A 58 -8.569 -20.249 -39.443 1.00 51.22 C ATOM 862 NZ LYS A 58 -9.134 -19.767 -38.155 1.00 12.14 N ATOM 0 H LYS A 58 -6.843 -16.558 -38.123 1.00 22.23 H new ATOM 0 HA LYS A 58 -4.716 -16.955 -40.011 1.00 64.14 H new ATOM 0 HB2 LYS A 58 -6.172 -18.560 -41.025 1.00 2.04 H new ATOM 0 HB3 LYS A 58 -6.341 -18.722 -39.288 1.00 2.04 H new ATOM 0 HG2 LYS A 58 -8.467 -17.488 -39.339 1.00 64.13 H new ATOM 0 HG3 LYS A 58 -8.285 -17.189 -41.057 1.00 64.13 H new ATOM 0 HD2 LYS A 58 -9.819 -19.060 -40.725 1.00 2.12 H new ATOM 0 HD3 LYS A 58 -8.357 -19.643 -41.495 1.00 2.12 H new ATOM 0 HE2 LYS A 58 -9.049 -21.188 -39.720 1.00 51.22 H new ATOM 0 HE3 LYS A 58 -7.507 -20.459 -39.317 1.00 51.22 H new ATOM 0 HZ1 LYS A 58 -9.219 -20.565 -37.493 1.00 12.14 H new ATOM 0 HZ2 LYS A 58 -8.505 -19.045 -37.749 1.00 12.14 H new ATOM 0 HZ3 LYS A 58 -10.074 -19.354 -38.321 1.00 12.14 H new ATOM 876 N GLN A 59 -5.712 -16.006 -42.241 1.00 62.31 N ATOM 877 CA GLN A 59 -5.985 -15.136 -43.377 1.00 30.32 C ATOM 878 C GLN A 59 -6.412 -15.971 -44.580 1.00 0.55 C ATOM 879 O GLN A 59 -5.876 -17.053 -44.807 1.00 71.44 O ATOM 880 CB GLN A 59 -4.740 -14.303 -43.711 1.00 41.23 C ATOM 881 CG GLN A 59 -4.920 -13.368 -44.899 1.00 10.35 C ATOM 882 CD GLN A 59 -3.721 -12.466 -45.132 1.00 72.33 C ATOM 883 OE1 GLN A 59 -2.584 -12.829 -44.836 1.00 24.21 O ATOM 884 NE2 GLN A 59 -3.971 -11.285 -45.666 1.00 55.00 N ATOM 0 H GLN A 59 -5.143 -16.822 -42.468 1.00 62.31 H new ATOM 0 HA GLN A 59 -6.797 -14.456 -43.121 1.00 30.32 H new ATOM 0 HB2 GLN A 59 -4.465 -13.714 -42.836 1.00 41.23 H new ATOM 0 HB3 GLN A 59 -3.908 -14.977 -43.915 1.00 41.23 H new ATOM 0 HG2 GLN A 59 -5.102 -13.960 -45.796 1.00 10.35 H new ATOM 0 HG3 GLN A 59 -5.805 -12.752 -44.739 1.00 10.35 H new ATOM 0 HE21 GLN A 59 -4.929 -11.022 -45.897 1.00 55.00 H new ATOM 0 HE22 GLN A 59 -3.206 -10.635 -45.848 1.00 55.00 H new ATOM 893 N PHE A 60 -7.382 -15.466 -45.337 1.00 4.41 N ATOM 894 CA PHE A 60 -7.916 -16.179 -46.498 1.00 50.42 C ATOM 895 C PHE A 60 -6.900 -16.169 -47.638 1.00 13.13 C ATOM 896 O PHE A 60 -6.532 -17.217 -48.174 1.00 51.22 O ATOM 897 CB PHE A 60 -9.238 -15.533 -46.947 1.00 41.42 C ATOM 898 CG PHE A 60 -9.984 -16.323 -47.996 1.00 61.13 C ATOM 899 CD1 PHE A 60 -10.787 -17.396 -47.628 1.00 12.31 C ATOM 900 CD2 PHE A 60 -9.890 -15.994 -49.341 1.00 40.54 C ATOM 901 CE1 PHE A 60 -11.475 -18.123 -48.581 1.00 10.14 C ATOM 902 CE2 PHE A 60 -10.577 -16.718 -50.296 1.00 73.53 C ATOM 903 CZ PHE A 60 -11.372 -17.782 -49.916 1.00 13.11 C ATOM 0 H PHE A 60 -7.818 -14.560 -45.167 1.00 4.41 H new ATOM 0 HA PHE A 60 -8.110 -17.215 -46.220 1.00 50.42 H new ATOM 0 HB2 PHE A 60 -9.882 -15.406 -46.077 1.00 41.42 H new ATOM 0 HB3 PHE A 60 -9.029 -14.537 -47.337 1.00 41.42 H new ATOM 0 HD1 PHE A 60 -10.874 -17.665 -46.586 1.00 12.31 H new ATOM 0 HD2 PHE A 60 -9.272 -15.162 -49.645 1.00 40.54 H new ATOM 0 HE1 PHE A 60 -12.093 -18.957 -48.282 1.00 10.14 H new ATOM 0 HE2 PHE A 60 -10.493 -16.452 -51.339 1.00 73.53 H new ATOM 0 HZ PHE A 60 -11.912 -18.347 -50.661 1.00 13.11 H new ATOM 913 N ASP A 61 -6.455 -14.973 -48.000 1.00 72.13 N ATOM 914 CA ASP A 61 -5.434 -14.792 -49.028 1.00 21.25 C ATOM 915 C ASP A 61 -4.659 -13.512 -48.748 1.00 45.30 C ATOM 916 O ASP A 61 -5.229 -12.533 -48.269 1.00 20.32 O ATOM 917 CB ASP A 61 -6.064 -14.746 -50.428 1.00 71.44 C ATOM 918 CG ASP A 61 -5.042 -14.500 -51.531 1.00 31.53 C ATOM 919 OD1 ASP A 61 -3.926 -15.062 -51.460 1.00 42.41 O ATOM 920 OD2 ASP A 61 -5.343 -13.734 -52.470 1.00 45.10 O ATOM 0 H ASP A 61 -6.790 -14.101 -47.591 1.00 72.13 H new ATOM 0 HA ASP A 61 -4.751 -15.641 -49.001 1.00 21.25 H new ATOM 0 HB2 ASP A 61 -6.579 -15.687 -50.620 1.00 71.44 H new ATOM 0 HB3 ASP A 61 -6.818 -13.959 -50.456 1.00 71.44 H new ATOM 925 N SER A 62 -3.363 -13.535 -49.030 1.00 2.52 N ATOM 926 CA SER A 62 -2.474 -12.434 -48.690 1.00 22.13 C ATOM 927 C SER A 62 -2.358 -11.419 -49.834 1.00 22.13 C ATOM 928 O SER A 62 -1.505 -11.548 -50.721 1.00 25.20 O ATOM 929 CB SER A 62 -1.098 -12.996 -48.306 1.00 73.41 C ATOM 930 OG SER A 62 -0.692 -14.010 -49.216 1.00 51.41 O ATOM 0 H SER A 62 -2.901 -14.314 -49.499 1.00 2.52 H new ATOM 0 HA SER A 62 -2.895 -11.897 -47.840 1.00 22.13 H new ATOM 0 HB2 SER A 62 -0.362 -12.192 -48.299 1.00 73.41 H new ATOM 0 HB3 SER A 62 -1.136 -13.403 -47.295 1.00 73.41 H new ATOM 0 HG SER A 62 -0.740 -13.666 -50.132 1.00 51.41 H new ATOM 936 N SER A 63 -3.225 -10.414 -49.812 1.00 2.54 N ATOM 937 CA SER A 63 -3.190 -9.343 -50.802 1.00 61.15 C ATOM 938 C SER A 63 -2.008 -8.408 -50.529 1.00 30.33 C ATOM 939 O SER A 63 -1.513 -7.723 -51.435 1.00 20.53 O ATOM 940 CB SER A 63 -4.514 -8.565 -50.791 1.00 5.12 C ATOM 941 OG SER A 63 -4.482 -7.458 -51.680 1.00 11.23 O ATOM 0 H SER A 63 -3.965 -10.318 -49.116 1.00 2.54 H new ATOM 0 HA SER A 63 -3.059 -9.781 -51.791 1.00 61.15 H new ATOM 0 HB2 SER A 63 -5.330 -9.232 -51.070 1.00 5.12 H new ATOM 0 HB3 SER A 63 -4.721 -8.214 -49.780 1.00 5.12 H new ATOM 0 HG SER A 63 -4.822 -6.661 -51.222 1.00 11.23 H new ATOM 947 N ARG A 64 -1.552 -8.383 -49.278 1.00 62.05 N ATOM 948 CA ARG A 64 -0.405 -7.565 -48.893 1.00 51.31 C ATOM 949 C ARG A 64 0.867 -8.125 -49.527 1.00 11.31 C ATOM 950 O ARG A 64 1.763 -7.377 -49.917 1.00 41.21 O ATOM 951 CB ARG A 64 -0.273 -7.510 -47.358 1.00 11.31 C ATOM 952 CG ARG A 64 0.298 -8.782 -46.725 1.00 31.34 C ATOM 953 CD ARG A 64 -0.008 -8.876 -45.230 1.00 61.25 C ATOM 954 NE ARG A 64 0.163 -7.598 -44.531 1.00 63.21 N ATOM 955 CZ ARG A 64 1.335 -7.066 -44.180 1.00 44.35 C ATOM 956 NH1 ARG A 64 2.474 -7.665 -44.505 1.00 70.45 N ATOM 957 NH2 ARG A 64 1.361 -5.924 -43.514 1.00 74.42 N ATOM 0 H ARG A 64 -1.960 -8.921 -48.513 1.00 62.05 H new ATOM 0 HA ARG A 64 -0.557 -6.548 -49.255 1.00 51.31 H new ATOM 0 HB2 ARG A 64 0.365 -6.668 -47.091 1.00 11.31 H new ATOM 0 HB3 ARG A 64 -1.255 -7.314 -46.928 1.00 11.31 H new ATOM 0 HG2 ARG A 64 -0.114 -9.654 -47.233 1.00 31.34 H new ATOM 0 HG3 ARG A 64 1.377 -8.806 -46.875 1.00 31.34 H new ATOM 0 HD2 ARG A 64 -1.032 -9.224 -45.095 1.00 61.25 H new ATOM 0 HD3 ARG A 64 0.645 -9.622 -44.777 1.00 61.25 H new ATOM 0 HE ARG A 64 -0.680 -7.075 -44.295 1.00 63.21 H new ATOM 0 HH11 ARG A 64 2.459 -8.541 -45.028 1.00 70.45 H new ATOM 0 HH12 ARG A 64 3.365 -7.250 -44.232 1.00 70.45 H new ATOM 0 HH21 ARG A 64 0.488 -5.455 -43.272 1.00 74.42 H new ATOM 0 HH22 ARG A 64 2.254 -5.512 -43.243 1.00 74.42 H new ATOM 971 N SER A 65 0.920 -9.451 -49.644 1.00 10.31 N ATOM 972 CA SER A 65 2.064 -10.133 -50.239 1.00 43.24 C ATOM 973 C SER A 65 2.083 -9.946 -51.756 1.00 30.11 C ATOM 974 O SER A 65 3.148 -9.828 -52.364 1.00 40.21 O ATOM 975 CB SER A 65 2.034 -11.628 -49.889 1.00 13.31 C ATOM 976 OG SER A 65 3.089 -12.330 -50.525 1.00 52.33 O ATOM 0 H SER A 65 0.177 -10.076 -49.332 1.00 10.31 H new ATOM 0 HA SER A 65 2.973 -9.692 -49.829 1.00 43.24 H new ATOM 0 HB2 SER A 65 2.112 -11.752 -48.809 1.00 13.31 H new ATOM 0 HB3 SER A 65 1.077 -12.055 -50.191 1.00 13.31 H new ATOM 0 HG SER A 65 3.133 -13.243 -50.173 1.00 52.33 H new ATOM 982 N ARG A 66 0.900 -9.930 -52.366 1.00 45.31 N ATOM 983 CA ARG A 66 0.796 -9.781 -53.817 1.00 14.00 C ATOM 984 C ARG A 66 1.031 -8.331 -54.226 1.00 1.23 C ATOM 985 O ARG A 66 1.497 -8.060 -55.331 1.00 33.32 O ATOM 986 CB ARG A 66 -0.575 -10.250 -54.319 1.00 41.14 C ATOM 987 CG ARG A 66 -0.908 -11.706 -53.996 1.00 42.33 C ATOM 988 CD ARG A 66 0.158 -12.680 -54.494 1.00 1.51 C ATOM 989 NE ARG A 66 1.282 -12.809 -53.559 1.00 14.23 N ATOM 990 CZ ARG A 66 2.297 -13.660 -53.726 1.00 13.50 C ATOM 991 NH1 ARG A 66 2.395 -14.375 -54.840 1.00 2.55 N ATOM 992 NH2 ARG A 66 3.232 -13.775 -52.793 1.00 75.44 N ATOM 0 H ARG A 66 0.006 -10.018 -51.883 1.00 45.31 H new ATOM 0 HA ARG A 66 1.565 -10.405 -54.273 1.00 14.00 H new ATOM 0 HB2 ARG A 66 -1.344 -9.611 -53.885 1.00 41.14 H new ATOM 0 HB3 ARG A 66 -0.618 -10.112 -55.399 1.00 41.14 H new ATOM 0 HG2 ARG A 66 -1.021 -11.818 -52.918 1.00 42.33 H new ATOM 0 HG3 ARG A 66 -1.867 -11.963 -54.445 1.00 42.33 H new ATOM 0 HD2 ARG A 66 -0.294 -13.659 -54.651 1.00 1.51 H new ATOM 0 HD3 ARG A 66 0.531 -12.342 -55.461 1.00 1.51 H new ATOM 0 HE ARG A 66 1.288 -12.212 -52.732 1.00 14.23 H new ATOM 0 HH11 ARG A 66 1.693 -14.276 -55.573 1.00 2.55 H new ATOM 0 HH12 ARG A 66 3.172 -15.024 -54.963 1.00 2.55 H new ATOM 0 HH21 ARG A 66 3.177 -13.212 -51.944 1.00 75.44 H new ATOM 0 HH22 ARG A 66 4.006 -14.426 -52.924 1.00 75.44 H new ATOM 1006 N GLY A 67 0.701 -7.406 -53.324 1.00 34.51 N ATOM 1007 CA GLY A 67 0.910 -5.991 -53.584 1.00 34.10 C ATOM 1008 C GLY A 67 0.081 -5.480 -54.751 1.00 63.33 C ATOM 1009 O GLY A 67 0.545 -4.642 -55.526 1.00 1.24 O ATOM 0 H GLY A 67 0.291 -7.614 -52.414 1.00 34.51 H new ATOM 0 HA2 GLY A 67 0.660 -5.421 -52.689 1.00 34.10 H new ATOM 0 HA3 GLY A 67 1.966 -5.816 -53.790 1.00 34.10 H new ATOM 1013 N LYS A 68 -1.143 -5.990 -54.874 1.00 75.34 N ATOM 1014 CA LYS A 68 -2.057 -5.562 -55.930 1.00 45.14 C ATOM 1015 C LYS A 68 -2.712 -4.230 -55.554 1.00 23.21 C ATOM 1016 O LYS A 68 -3.441 -4.155 -54.559 1.00 4.34 O ATOM 1017 CB LYS A 68 -3.140 -6.629 -56.171 1.00 40.24 C ATOM 1018 CG LYS A 68 -4.155 -6.244 -57.249 1.00 60.33 C ATOM 1019 CD LYS A 68 -5.200 -7.336 -57.478 1.00 74.22 C ATOM 1020 CE LYS A 68 -6.101 -7.554 -56.262 1.00 64.14 C ATOM 1021 NZ LYS A 68 -6.873 -6.334 -55.901 1.00 71.10 N ATOM 0 H LYS A 68 -1.525 -6.703 -54.253 1.00 75.34 H new ATOM 0 HA LYS A 68 -1.485 -5.430 -56.848 1.00 45.14 H new ATOM 0 HB2 LYS A 68 -2.659 -7.565 -56.456 1.00 40.24 H new ATOM 0 HB3 LYS A 68 -3.669 -6.814 -55.236 1.00 40.24 H new ATOM 0 HG2 LYS A 68 -4.656 -5.320 -56.960 1.00 60.33 H new ATOM 0 HG3 LYS A 68 -3.631 -6.044 -58.184 1.00 60.33 H new ATOM 0 HD2 LYS A 68 -5.815 -7.070 -58.338 1.00 74.22 H new ATOM 0 HD3 LYS A 68 -4.695 -8.270 -57.724 1.00 74.22 H new ATOM 0 HE2 LYS A 68 -6.793 -8.371 -56.468 1.00 64.14 H new ATOM 0 HE3 LYS A 68 -5.491 -7.860 -55.412 1.00 64.14 H new ATOM 0 HZ1 LYS A 68 -7.701 -6.603 -55.333 1.00 71.10 H new ATOM 0 HZ2 LYS A 68 -6.269 -5.691 -55.350 1.00 71.10 H new ATOM 0 HZ3 LYS A 68 -7.189 -5.854 -56.768 1.00 71.10 H new ATOM 1035 N PRO A 69 -2.443 -3.157 -56.322 1.00 1.43 N ATOM 1036 CA PRO A 69 -3.059 -1.850 -56.098 1.00 41.05 C ATOM 1037 C PRO A 69 -4.460 -1.770 -56.712 1.00 63.34 C ATOM 1038 O PRO A 69 -4.870 -2.654 -57.470 1.00 73.21 O ATOM 1039 CB PRO A 69 -2.092 -0.896 -56.803 1.00 65.54 C ATOM 1040 CG PRO A 69 -1.557 -1.693 -57.946 1.00 33.42 C ATOM 1041 CD PRO A 69 -1.508 -3.129 -57.471 1.00 34.41 C ATOM 0 HA PRO A 69 -3.203 -1.623 -55.042 1.00 41.05 H new ATOM 0 HB2 PRO A 69 -2.602 0.003 -57.149 1.00 65.54 H new ATOM 0 HB3 PRO A 69 -1.294 -0.573 -56.135 1.00 65.54 H new ATOM 0 HG2 PRO A 69 -2.197 -1.594 -58.823 1.00 33.42 H new ATOM 0 HG3 PRO A 69 -0.565 -1.344 -58.234 1.00 33.42 H new ATOM 0 HD2 PRO A 69 -1.818 -3.820 -58.255 1.00 34.41 H new ATOM 0 HD3 PRO A 69 -0.500 -3.417 -57.173 1.00 34.41 H new ATOM 1049 N PHE A 70 -5.186 -0.715 -56.376 1.00 41.12 N ATOM 1050 CA PHE A 70 -6.535 -0.506 -56.884 1.00 52.04 C ATOM 1051 C PHE A 70 -6.800 0.989 -57.031 1.00 55.23 C ATOM 1052 O PHE A 70 -6.791 1.727 -56.047 1.00 31.10 O ATOM 1053 CB PHE A 70 -7.560 -1.148 -55.938 1.00 51.25 C ATOM 1054 CG PHE A 70 -8.985 -1.092 -56.435 1.00 44.01 C ATOM 1055 CD1 PHE A 70 -9.424 -1.964 -57.421 1.00 50.33 C ATOM 1056 CD2 PHE A 70 -9.883 -0.171 -55.915 1.00 54.02 C ATOM 1057 CE1 PHE A 70 -10.728 -1.919 -57.876 1.00 71.23 C ATOM 1058 CE2 PHE A 70 -11.188 -0.122 -56.367 1.00 42.20 C ATOM 1059 CZ PHE A 70 -11.611 -0.997 -57.349 1.00 20.44 C ATOM 0 H PHE A 70 -4.860 0.018 -55.746 1.00 41.12 H new ATOM 0 HA PHE A 70 -6.631 -0.977 -57.862 1.00 52.04 H new ATOM 0 HB2 PHE A 70 -7.285 -2.190 -55.776 1.00 51.25 H new ATOM 0 HB3 PHE A 70 -7.505 -0.650 -54.970 1.00 51.25 H new ATOM 0 HD1 PHE A 70 -8.738 -2.687 -57.838 1.00 50.33 H new ATOM 0 HD2 PHE A 70 -9.558 0.516 -55.148 1.00 54.02 H new ATOM 0 HE1 PHE A 70 -11.056 -2.604 -58.643 1.00 71.23 H new ATOM 0 HE2 PHE A 70 -11.877 0.600 -55.953 1.00 42.20 H new ATOM 0 HZ PHE A 70 -12.630 -0.960 -57.704 1.00 20.44 H new ATOM 1069 N GLN A 71 -7.003 1.437 -58.265 1.00 45.33 N ATOM 1070 CA GLN A 71 -7.258 2.847 -58.542 1.00 52.35 C ATOM 1071 C GLN A 71 -8.753 3.071 -58.738 1.00 12.44 C ATOM 1072 O GLN A 71 -9.387 2.383 -59.543 1.00 73.44 O ATOM 1073 CB GLN A 71 -6.485 3.298 -59.788 1.00 41.45 C ATOM 1074 CG GLN A 71 -4.994 2.991 -59.723 1.00 24.22 C ATOM 1075 CD GLN A 71 -4.227 3.568 -60.897 1.00 52.53 C ATOM 1076 OE1 GLN A 71 -4.089 2.927 -61.938 1.00 33.44 O ATOM 1077 NE2 GLN A 71 -3.706 4.772 -60.732 1.00 75.03 N ATOM 0 H GLN A 71 -6.996 0.842 -59.093 1.00 45.33 H new ATOM 0 HA GLN A 71 -6.917 3.440 -57.694 1.00 52.35 H new ATOM 0 HB2 GLN A 71 -6.910 2.811 -60.666 1.00 41.45 H new ATOM 0 HB3 GLN A 71 -6.621 4.371 -59.922 1.00 41.45 H new ATOM 0 HG2 GLN A 71 -4.585 3.391 -58.795 1.00 24.22 H new ATOM 0 HG3 GLN A 71 -4.850 1.911 -59.696 1.00 24.22 H new ATOM 0 HE21 GLN A 71 -3.843 5.271 -59.853 1.00 75.03 H new ATOM 0 HE22 GLN A 71 -3.167 5.202 -61.484 1.00 75.03 H new ATOM 1086 N PHE A 72 -9.317 4.025 -58.001 1.00 73.33 N ATOM 1087 CA PHE A 72 -10.749 4.305 -58.084 1.00 2.55 C ATOM 1088 C PHE A 72 -11.040 5.752 -57.702 1.00 20.34 C ATOM 1089 O PHE A 72 -10.160 6.464 -57.216 1.00 61.22 O ATOM 1090 CB PHE A 72 -11.548 3.348 -57.182 1.00 25.13 C ATOM 1091 CG PHE A 72 -11.398 3.615 -55.701 1.00 43.44 C ATOM 1092 CD1 PHE A 72 -10.256 3.226 -55.021 1.00 1.40 C ATOM 1093 CD2 PHE A 72 -12.407 4.255 -54.989 1.00 73.40 C ATOM 1094 CE1 PHE A 72 -10.125 3.465 -53.668 1.00 5.31 C ATOM 1095 CE2 PHE A 72 -12.278 4.495 -53.636 1.00 1.11 C ATOM 1096 CZ PHE A 72 -11.135 4.101 -52.976 1.00 32.03 C ATOM 0 H PHE A 72 -8.808 4.615 -57.343 1.00 73.33 H new ATOM 0 HA PHE A 72 -11.061 4.148 -59.117 1.00 2.55 H new ATOM 0 HB2 PHE A 72 -12.603 3.415 -57.446 1.00 25.13 H new ATOM 0 HB3 PHE A 72 -11.233 2.325 -57.388 1.00 25.13 H new ATOM 0 HD1 PHE A 72 -9.459 2.730 -55.555 1.00 1.40 H new ATOM 0 HD2 PHE A 72 -13.304 4.569 -55.502 1.00 73.40 H new ATOM 0 HE1 PHE A 72 -9.230 3.154 -53.150 1.00 5.31 H new ATOM 0 HE2 PHE A 72 -13.071 4.991 -53.096 1.00 1.11 H new ATOM 0 HZ PHE A 72 -11.030 4.290 -51.918 1.00 32.03 H new ATOM 1106 N THR A 73 -12.274 6.177 -57.937 1.00 51.11 N ATOM 1107 CA THR A 73 -12.721 7.511 -57.567 1.00 1.20 C ATOM 1108 C THR A 73 -13.168 7.522 -56.105 1.00 62.13 C ATOM 1109 O THR A 73 -14.229 6.993 -55.770 1.00 74.23 O ATOM 1110 CB THR A 73 -13.885 7.974 -58.473 1.00 52.41 C ATOM 1111 OG1 THR A 73 -13.512 7.823 -59.853 1.00 54.54 O ATOM 1112 CG2 THR A 73 -14.255 9.430 -58.200 1.00 75.20 C ATOM 0 H THR A 73 -12.991 5.608 -58.388 1.00 51.11 H new ATOM 0 HA THR A 73 -11.887 8.201 -57.698 1.00 1.20 H new ATOM 0 HB THR A 73 -14.754 7.354 -58.253 1.00 52.41 H new ATOM 0 HG1 THR A 73 -14.252 8.115 -60.426 1.00 54.54 H new ATOM 0 HG21 THR A 73 -15.076 9.725 -58.853 1.00 75.20 H new ATOM 0 HG22 THR A 73 -14.561 9.539 -57.160 1.00 75.20 H new ATOM 0 HG23 THR A 73 -13.392 10.067 -58.392 1.00 75.20 H new ATOM 1120 N LEU A 74 -12.330 8.088 -55.241 1.00 41.42 N ATOM 1121 CA LEU A 74 -12.613 8.155 -53.810 1.00 2.01 C ATOM 1122 C LEU A 74 -13.917 8.909 -53.550 1.00 50.22 C ATOM 1123 O LEU A 74 -14.189 9.930 -54.190 1.00 44.43 O ATOM 1124 CB LEU A 74 -11.452 8.840 -53.073 1.00 4.02 C ATOM 1125 CG LEU A 74 -11.575 8.878 -51.542 1.00 75.13 C ATOM 1126 CD1 LEU A 74 -11.620 7.462 -50.971 1.00 51.31 C ATOM 1127 CD2 LEU A 74 -10.423 9.674 -50.930 1.00 40.31 C ATOM 0 H LEU A 74 -11.442 8.511 -55.510 1.00 41.42 H new ATOM 0 HA LEU A 74 -12.723 7.138 -53.434 1.00 2.01 H new ATOM 0 HB2 LEU A 74 -10.526 8.328 -53.334 1.00 4.02 H new ATOM 0 HB3 LEU A 74 -11.365 9.863 -53.439 1.00 4.02 H new ATOM 0 HG LEU A 74 -12.509 9.378 -51.284 1.00 75.13 H new ATOM 0 HD11 LEU A 74 -11.707 7.510 -49.886 1.00 51.31 H new ATOM 0 HD12 LEU A 74 -12.479 6.932 -51.381 1.00 51.31 H new ATOM 0 HD13 LEU A 74 -10.705 6.933 -51.238 1.00 51.31 H new ATOM 0 HD21 LEU A 74 -10.528 9.690 -49.845 1.00 40.31 H new ATOM 0 HD22 LEU A 74 -9.475 9.206 -51.197 1.00 40.31 H new ATOM 0 HD23 LEU A 74 -10.443 10.695 -51.311 1.00 40.31 H new ATOM 1139 N GLY A 75 -14.717 8.405 -52.613 1.00 21.12 N ATOM 1140 CA GLY A 75 -15.986 9.032 -52.296 1.00 51.53 C ATOM 1141 C GLY A 75 -17.097 8.566 -53.214 1.00 33.31 C ATOM 1142 O GLY A 75 -18.083 9.276 -53.421 1.00 41.10 O ATOM 0 H GLY A 75 -14.506 7.570 -52.067 1.00 21.12 H new ATOM 0 HA2 GLY A 75 -16.252 8.808 -51.263 1.00 51.53 H new ATOM 0 HA3 GLY A 75 -15.884 10.115 -52.372 1.00 51.53 H new ATOM 1146 N ALA A 76 -16.944 7.363 -53.757 1.00 23.41 N ATOM 1147 CA ALA A 76 -17.927 6.787 -54.672 1.00 10.02 C ATOM 1148 C ALA A 76 -18.249 5.352 -54.265 1.00 2.44 C ATOM 1149 O ALA A 76 -17.698 4.837 -53.289 1.00 74.43 O ATOM 1150 CB ALA A 76 -17.413 6.839 -56.110 1.00 13.12 C ATOM 0 H ALA A 76 -16.140 6.761 -53.578 1.00 23.41 H new ATOM 0 HA ALA A 76 -18.843 7.375 -54.617 1.00 10.02 H new ATOM 0 HB1 ALA A 76 -18.157 6.406 -56.778 1.00 13.12 H new ATOM 0 HB2 ALA A 76 -17.230 7.875 -56.394 1.00 13.12 H new ATOM 0 HB3 ALA A 76 -16.485 6.273 -56.185 1.00 13.12 H new ATOM 1156 N GLY A 77 -19.153 4.715 -55.000 1.00 45.30 N ATOM 1157 CA GLY A 77 -19.517 3.335 -54.719 1.00 54.35 C ATOM 1158 C GLY A 77 -18.629 2.349 -55.451 1.00 33.32 C ATOM 1159 O GLY A 77 -19.101 1.327 -55.961 1.00 54.41 O ATOM 0 H GLY A 77 -19.644 5.131 -55.791 1.00 45.30 H new ATOM 0 HA2 GLY A 77 -19.450 3.155 -53.646 1.00 54.35 H new ATOM 0 HA3 GLY A 77 -20.555 3.169 -55.006 1.00 54.35 H new ATOM 1163 N GLU A 78 -17.340 2.660 -55.519 1.00 32.55 N ATOM 1164 CA GLU A 78 -16.369 1.791 -56.178 1.00 75.44 C ATOM 1165 C GLU A 78 -16.077 0.581 -55.294 1.00 54.02 C ATOM 1166 O GLU A 78 -15.842 -0.527 -55.783 1.00 2.52 O ATOM 1167 CB GLU A 78 -15.077 2.564 -56.467 1.00 2.50 C ATOM 1168 CG GLU A 78 -15.292 3.884 -57.208 1.00 4.04 C ATOM 1169 CD GLU A 78 -15.867 3.700 -58.605 1.00 63.04 C ATOM 1170 OE1 GLU A 78 -17.105 3.619 -58.741 1.00 75.43 O ATOM 1171 OE2 GLU A 78 -15.081 3.647 -59.578 1.00 1.53 O ATOM 0 H GLU A 78 -16.940 3.511 -55.124 1.00 32.55 H new ATOM 0 HA GLU A 78 -16.784 1.446 -57.125 1.00 75.44 H new ATOM 0 HB2 GLU A 78 -14.569 2.767 -55.524 1.00 2.50 H new ATOM 0 HB3 GLU A 78 -14.413 1.933 -57.057 1.00 2.50 H new ATOM 0 HG2 GLU A 78 -15.964 4.515 -56.626 1.00 4.04 H new ATOM 0 HG3 GLU A 78 -14.341 4.412 -57.280 1.00 4.04 H new ATOM 1178 N VAL A 79 -16.096 0.819 -53.986 1.00 13.45 N ATOM 1179 CA VAL A 79 -15.895 -0.220 -52.978 1.00 1.34 C ATOM 1180 C VAL A 79 -16.830 0.038 -51.799 1.00 20.50 C ATOM 1181 O VAL A 79 -17.487 1.082 -51.748 1.00 12.22 O ATOM 1182 CB VAL A 79 -14.426 -0.256 -52.465 1.00 22.51 C ATOM 1183 CG1 VAL A 79 -13.465 -0.681 -53.577 1.00 2.53 C ATOM 1184 CG2 VAL A 79 -14.018 1.099 -51.882 1.00 32.01 C ATOM 0 H VAL A 79 -16.253 1.746 -53.591 1.00 13.45 H new ATOM 0 HA VAL A 79 -16.113 -1.182 -53.441 1.00 1.34 H new ATOM 0 HB VAL A 79 -14.368 -0.999 -51.669 1.00 22.51 H new ATOM 0 HG11 VAL A 79 -12.446 -0.697 -53.191 1.00 2.53 H new ATOM 0 HG12 VAL A 79 -13.735 -1.676 -53.931 1.00 2.53 H new ATOM 0 HG13 VAL A 79 -13.528 0.027 -54.403 1.00 2.53 H new ATOM 0 HG21 VAL A 79 -12.988 1.048 -51.530 1.00 32.01 H new ATOM 0 HG22 VAL A 79 -14.101 1.866 -52.652 1.00 32.01 H new ATOM 0 HG23 VAL A 79 -14.674 1.349 -51.048 1.00 32.01 H new ATOM 1194 N ILE A 80 -16.902 -0.907 -50.865 1.00 75.42 N ATOM 1195 CA ILE A 80 -17.692 -0.718 -49.654 1.00 23.41 C ATOM 1196 C ILE A 80 -17.179 0.499 -48.881 1.00 60.52 C ATOM 1197 O ILE A 80 -15.966 0.737 -48.808 1.00 13.14 O ATOM 1198 CB ILE A 80 -17.669 -1.972 -48.736 1.00 73.33 C ATOM 1199 CG1 ILE A 80 -16.223 -2.343 -48.353 1.00 72.25 C ATOM 1200 CG2 ILE A 80 -18.367 -3.149 -49.419 1.00 24.01 C ATOM 1201 CD1 ILE A 80 -16.109 -3.555 -47.449 1.00 43.25 C ATOM 0 H ILE A 80 -16.425 -1.807 -50.924 1.00 75.42 H new ATOM 0 HA ILE A 80 -18.725 -0.555 -49.961 1.00 23.41 H new ATOM 0 HB ILE A 80 -18.211 -1.736 -47.820 1.00 73.33 H new ATOM 0 HG12 ILE A 80 -15.654 -2.529 -49.264 1.00 72.25 H new ATOM 0 HG13 ILE A 80 -15.760 -1.490 -47.857 1.00 72.25 H new ATOM 0 HG21 ILE A 80 -18.341 -4.018 -48.762 1.00 24.01 H new ATOM 0 HG22 ILE A 80 -19.403 -2.885 -49.631 1.00 24.01 H new ATOM 0 HG23 ILE A 80 -17.855 -3.384 -50.352 1.00 24.01 H new ATOM 0 HD11 ILE A 80 -15.059 -3.747 -47.228 1.00 43.25 H new ATOM 0 HD12 ILE A 80 -16.647 -3.368 -46.520 1.00 43.25 H new ATOM 0 HD13 ILE A 80 -16.539 -4.423 -47.948 1.00 43.25 H new ATOM 1213 N LYS A 81 -18.103 1.266 -48.308 1.00 23.20 N ATOM 1214 CA LYS A 81 -17.759 2.516 -47.634 1.00 11.25 C ATOM 1215 C LYS A 81 -16.826 2.296 -46.449 1.00 2.21 C ATOM 1216 O LYS A 81 -16.212 3.243 -45.963 1.00 14.32 O ATOM 1217 CB LYS A 81 -19.024 3.280 -47.210 1.00 0.11 C ATOM 1218 CG LYS A 81 -19.711 3.985 -48.376 1.00 41.11 C ATOM 1219 CD LYS A 81 -18.727 4.899 -49.103 1.00 62.14 C ATOM 1220 CE LYS A 81 -19.348 5.602 -50.297 1.00 73.31 C ATOM 1221 NZ LYS A 81 -18.337 6.397 -51.047 1.00 30.33 N ATOM 0 H LYS A 81 -19.098 1.043 -48.297 1.00 23.20 H new ATOM 0 HA LYS A 81 -17.216 3.128 -48.354 1.00 11.25 H new ATOM 0 HB2 LYS A 81 -19.725 2.584 -46.749 1.00 0.11 H new ATOM 0 HB3 LYS A 81 -18.760 4.017 -46.451 1.00 0.11 H new ATOM 0 HG2 LYS A 81 -20.111 3.246 -49.070 1.00 41.11 H new ATOM 0 HG3 LYS A 81 -20.556 4.568 -48.009 1.00 41.11 H new ATOM 0 HD2 LYS A 81 -18.348 5.645 -48.405 1.00 62.14 H new ATOM 0 HD3 LYS A 81 -17.872 4.312 -49.437 1.00 62.14 H new ATOM 0 HE2 LYS A 81 -19.799 4.864 -50.961 1.00 73.31 H new ATOM 0 HE3 LYS A 81 -20.150 6.258 -49.958 1.00 73.31 H new ATOM 0 HZ1 LYS A 81 -18.799 7.216 -51.491 1.00 30.33 H new ATOM 0 HZ2 LYS A 81 -17.600 6.728 -50.392 1.00 30.33 H new ATOM 0 HZ3 LYS A 81 -17.905 5.803 -51.783 1.00 30.33 H new ATOM 1235 N GLY A 82 -16.721 1.055 -45.984 1.00 34.43 N ATOM 1236 CA GLY A 82 -15.717 0.733 -44.990 1.00 31.53 C ATOM 1237 C GLY A 82 -14.327 1.064 -45.499 1.00 11.44 C ATOM 1238 O GLY A 82 -13.569 1.794 -44.856 1.00 11.05 O ATOM 0 H GLY A 82 -17.308 0.274 -46.275 1.00 34.43 H new ATOM 0 HA2 GLY A 82 -15.915 1.289 -44.074 1.00 31.53 H new ATOM 0 HA3 GLY A 82 -15.774 -0.326 -44.739 1.00 31.53 H new ATOM 1242 N TRP A 83 -14.015 0.554 -46.689 1.00 20.04 N ATOM 1243 CA TRP A 83 -12.718 0.792 -47.314 1.00 54.32 C ATOM 1244 C TRP A 83 -12.636 2.220 -47.839 1.00 71.34 C ATOM 1245 O TRP A 83 -11.623 2.892 -47.662 1.00 52.20 O ATOM 1246 CB TRP A 83 -12.474 -0.195 -48.466 1.00 1.15 C ATOM 1247 CG TRP A 83 -12.494 -1.640 -48.055 1.00 60.24 C ATOM 1248 CD1 TRP A 83 -12.425 -2.142 -46.786 1.00 62.11 C ATOM 1249 CD2 TRP A 83 -12.573 -2.771 -48.928 1.00 23.23 C ATOM 1250 NE1 TRP A 83 -12.470 -3.513 -46.819 1.00 5.04 N ATOM 1251 CE2 TRP A 83 -12.557 -3.923 -48.122 1.00 4.34 C ATOM 1252 CE3 TRP A 83 -12.661 -2.921 -50.315 1.00 42.12 C ATOM 1253 CZ2 TRP A 83 -12.626 -5.207 -48.656 1.00 13.44 C ATOM 1254 CZ3 TRP A 83 -12.728 -4.197 -50.844 1.00 3.14 C ATOM 1255 CH2 TRP A 83 -12.711 -5.325 -50.016 1.00 54.32 C ATOM 0 H TRP A 83 -14.646 -0.028 -47.240 1.00 20.04 H new ATOM 0 HA TRP A 83 -11.949 0.642 -46.556 1.00 54.32 H new ATOM 0 HB2 TRP A 83 -13.233 -0.036 -49.232 1.00 1.15 H new ATOM 0 HB3 TRP A 83 -11.509 0.028 -48.922 1.00 1.15 H new ATOM 0 HD1 TRP A 83 -12.347 -1.547 -45.888 1.00 62.11 H new ATOM 0 HE1 TRP A 83 -12.443 -4.127 -46.005 1.00 5.04 H new ATOM 0 HE3 TRP A 83 -12.676 -2.056 -50.962 1.00 42.12 H new ATOM 0 HZ2 TRP A 83 -12.613 -6.079 -48.019 1.00 13.44 H new ATOM 0 HZ3 TRP A 83 -12.795 -4.325 -51.914 1.00 3.14 H new ATOM 0 HH2 TRP A 83 -12.766 -6.308 -50.460 1.00 54.32 H new ATOM 1266 N ASP A 84 -13.713 2.671 -48.483 1.00 72.43 N ATOM 1267 CA ASP A 84 -13.777 4.021 -49.057 1.00 32.24 C ATOM 1268 C ASP A 84 -13.434 5.069 -47.997 1.00 32.32 C ATOM 1269 O ASP A 84 -12.502 5.857 -48.165 1.00 11.55 O ATOM 1270 CB ASP A 84 -15.180 4.269 -49.641 1.00 51.14 C ATOM 1271 CG ASP A 84 -15.339 5.629 -50.318 1.00 24.20 C ATOM 1272 OD1 ASP A 84 -14.889 5.785 -51.473 1.00 41.55 O ATOM 1273 OD2 ASP A 84 -15.966 6.530 -49.719 1.00 3.24 O ATOM 0 H ASP A 84 -14.559 2.119 -48.622 1.00 72.43 H new ATOM 0 HA ASP A 84 -13.044 4.104 -49.860 1.00 32.24 H new ATOM 0 HB2 ASP A 84 -15.405 3.486 -50.365 1.00 51.14 H new ATOM 0 HB3 ASP A 84 -15.916 4.184 -48.841 1.00 51.14 H new ATOM 1278 N GLN A 85 -14.157 5.032 -46.881 1.00 53.44 N ATOM 1279 CA GLN A 85 -13.930 5.968 -45.784 1.00 73.31 C ATOM 1280 C GLN A 85 -12.599 5.675 -45.091 1.00 50.41 C ATOM 1281 O GLN A 85 -11.818 6.595 -44.806 1.00 43.23 O ATOM 1282 CB GLN A 85 -15.076 5.891 -44.769 1.00 11.22 C ATOM 1283 CG GLN A 85 -16.428 6.322 -45.327 1.00 25.14 C ATOM 1284 CD GLN A 85 -17.561 6.097 -44.343 1.00 22.14 C ATOM 1285 OE1 GLN A 85 -17.362 6.129 -43.130 1.00 20.15 O ATOM 1286 NE2 GLN A 85 -18.759 5.871 -44.859 1.00 2.41 N ATOM 0 H GLN A 85 -14.907 4.362 -46.712 1.00 53.44 H new ATOM 0 HA GLN A 85 -13.893 6.975 -46.199 1.00 73.31 H new ATOM 0 HB2 GLN A 85 -15.155 4.867 -44.403 1.00 11.22 H new ATOM 0 HB3 GLN A 85 -14.831 6.518 -43.912 1.00 11.22 H new ATOM 0 HG2 GLN A 85 -16.387 7.378 -45.594 1.00 25.14 H new ATOM 0 HG3 GLN A 85 -16.632 5.769 -46.244 1.00 25.14 H new ATOM 0 HE21 GLN A 85 -18.883 5.852 -45.871 1.00 2.41 H new ATOM 0 HE22 GLN A 85 -19.558 5.716 -44.244 1.00 2.41 H new ATOM 1295 N GLY A 86 -12.342 4.388 -44.836 1.00 70.40 N ATOM 1296 CA GLY A 86 -11.117 3.981 -44.169 1.00 62.34 C ATOM 1297 C GLY A 86 -9.882 4.547 -44.839 1.00 13.43 C ATOM 1298 O GLY A 86 -8.999 5.087 -44.177 1.00 1.43 O ATOM 0 H GLY A 86 -12.966 3.620 -45.082 1.00 70.40 H new ATOM 0 HA2 GLY A 86 -11.146 4.308 -43.130 1.00 62.34 H new ATOM 0 HA3 GLY A 86 -11.056 2.893 -44.159 1.00 62.34 H new ATOM 1302 N VAL A 87 -9.814 4.421 -46.156 1.00 54.13 N ATOM 1303 CA VAL A 87 -8.701 4.977 -46.912 1.00 50.24 C ATOM 1304 C VAL A 87 -8.843 6.500 -47.050 1.00 54.40 C ATOM 1305 O VAL A 87 -7.850 7.227 -47.062 1.00 10.11 O ATOM 1306 CB VAL A 87 -8.561 4.317 -48.307 1.00 55.44 C ATOM 1307 CG1 VAL A 87 -9.660 4.778 -49.263 1.00 34.31 C ATOM 1308 CG2 VAL A 87 -7.175 4.582 -48.891 1.00 62.31 C ATOM 0 H VAL A 87 -10.513 3.941 -46.722 1.00 54.13 H new ATOM 0 HA VAL A 87 -7.791 4.759 -46.353 1.00 50.24 H new ATOM 0 HB VAL A 87 -8.678 3.241 -48.178 1.00 55.44 H new ATOM 0 HG11 VAL A 87 -9.528 4.293 -50.230 1.00 34.31 H new ATOM 0 HG12 VAL A 87 -10.634 4.511 -48.854 1.00 34.31 H new ATOM 0 HG13 VAL A 87 -9.603 5.859 -49.388 1.00 34.31 H new ATOM 0 HG21 VAL A 87 -7.097 4.110 -49.871 1.00 62.31 H new ATOM 0 HG22 VAL A 87 -7.022 5.656 -48.992 1.00 62.31 H new ATOM 0 HG23 VAL A 87 -6.415 4.169 -48.227 1.00 62.31 H new ATOM 1318 N ALA A 88 -10.084 6.980 -47.146 1.00 43.42 N ATOM 1319 CA ALA A 88 -10.347 8.413 -47.290 1.00 63.54 C ATOM 1320 C ALA A 88 -9.820 9.213 -46.099 1.00 61.41 C ATOM 1321 O ALA A 88 -9.453 10.383 -46.242 1.00 62.12 O ATOM 1322 CB ALA A 88 -11.839 8.672 -47.462 1.00 72.34 C ATOM 0 H ALA A 88 -10.922 6.398 -47.127 1.00 43.42 H new ATOM 0 HA ALA A 88 -9.817 8.746 -48.182 1.00 63.54 H new ATOM 0 HB1 ALA A 88 -12.013 9.743 -47.567 1.00 72.34 H new ATOM 0 HB2 ALA A 88 -12.197 8.157 -48.353 1.00 72.34 H new ATOM 0 HB3 ALA A 88 -12.376 8.302 -46.589 1.00 72.34 H new ATOM 1328 N THR A 89 -9.802 8.591 -44.921 1.00 71.10 N ATOM 1329 CA THR A 89 -9.375 9.280 -43.701 1.00 21.14 C ATOM 1330 C THR A 89 -7.840 9.307 -43.547 1.00 72.32 C ATOM 1331 O THR A 89 -7.315 10.020 -42.687 1.00 61.43 O ATOM 1332 CB THR A 89 -10.026 8.652 -42.435 1.00 10.23 C ATOM 1333 OG1 THR A 89 -9.845 9.509 -41.296 1.00 70.41 O ATOM 1334 CG2 THR A 89 -9.441 7.279 -42.124 1.00 23.35 C ATOM 0 H THR A 89 -10.076 7.618 -44.784 1.00 71.10 H new ATOM 0 HA THR A 89 -9.718 10.310 -43.798 1.00 21.14 H new ATOM 0 HB THR A 89 -11.090 8.538 -42.645 1.00 10.23 H new ATOM 0 HG1 THR A 89 -9.048 10.063 -41.427 1.00 70.41 H new ATOM 0 HG21 THR A 89 -9.920 6.872 -41.233 1.00 23.35 H new ATOM 0 HG22 THR A 89 -9.615 6.610 -42.967 1.00 23.35 H new ATOM 0 HG23 THR A 89 -8.369 7.371 -41.949 1.00 23.35 H new ATOM 1342 N MET A 90 -7.115 8.552 -44.382 1.00 23.21 N ATOM 1343 CA MET A 90 -5.645 8.507 -44.294 1.00 52.35 C ATOM 1344 C MET A 90 -5.003 9.352 -45.398 1.00 34.44 C ATOM 1345 O MET A 90 -5.692 10.112 -46.086 1.00 64.34 O ATOM 1346 CB MET A 90 -5.125 7.061 -44.361 1.00 2.44 C ATOM 1347 CG MET A 90 -5.383 6.356 -45.685 1.00 20.52 C ATOM 1348 SD MET A 90 -4.541 4.766 -45.799 1.00 33.02 S ATOM 1349 CE MET A 90 -5.106 3.976 -44.296 1.00 71.33 C ATOM 0 H MET A 90 -7.514 7.970 -45.119 1.00 23.21 H new ATOM 0 HA MET A 90 -5.363 8.926 -43.328 1.00 52.35 H new ATOM 0 HB2 MET A 90 -4.052 7.065 -44.170 1.00 2.44 H new ATOM 0 HB3 MET A 90 -5.589 6.484 -43.561 1.00 2.44 H new ATOM 0 HG2 MET A 90 -6.455 6.205 -45.809 1.00 20.52 H new ATOM 0 HG3 MET A 90 -5.055 6.996 -46.504 1.00 20.52 H new ATOM 0 HE1 MET A 90 -4.642 2.994 -44.205 1.00 71.33 H new ATOM 0 HE2 MET A 90 -4.831 4.589 -43.437 1.00 71.33 H new ATOM 0 HE3 MET A 90 -6.190 3.864 -44.329 1.00 71.33 H new ATOM 1359 N THR A 91 -3.681 9.229 -45.553 1.00 54.53 N ATOM 1360 CA THR A 91 -2.933 10.021 -46.531 1.00 60.53 C ATOM 1361 C THR A 91 -1.960 9.153 -47.340 1.00 4.54 C ATOM 1362 O THR A 91 -1.874 7.945 -47.128 1.00 62.15 O ATOM 1363 CB THR A 91 -2.158 11.163 -45.834 1.00 2.34 C ATOM 1364 OG1 THR A 91 -1.293 10.632 -44.819 1.00 75.53 O ATOM 1365 CG2 THR A 91 -3.116 12.174 -45.210 1.00 54.53 C ATOM 0 H THR A 91 -3.106 8.585 -45.010 1.00 54.53 H new ATOM 0 HA THR A 91 -3.660 10.450 -47.220 1.00 60.53 H new ATOM 0 HB THR A 91 -1.559 11.670 -46.591 1.00 2.34 H new ATOM 0 HG1 THR A 91 -1.774 10.594 -43.966 1.00 75.53 H new ATOM 0 HG21 THR A 91 -2.545 12.966 -44.727 1.00 54.53 H new ATOM 0 HG22 THR A 91 -3.748 12.604 -45.987 1.00 54.53 H new ATOM 0 HG23 THR A 91 -3.741 11.674 -44.470 1.00 54.53 H new ATOM 1373 N LEU A 92 -1.242 9.780 -48.276 1.00 74.01 N ATOM 1374 CA LEU A 92 -0.317 9.074 -49.167 1.00 25.41 C ATOM 1375 C LEU A 92 0.838 8.445 -48.382 1.00 32.24 C ATOM 1376 O LEU A 92 1.386 9.057 -47.458 1.00 31.23 O ATOM 1377 CB LEU A 92 0.208 10.053 -50.241 1.00 14.43 C ATOM 1378 CG LEU A 92 0.942 9.436 -51.452 1.00 74.12 C ATOM 1379 CD1 LEU A 92 0.978 10.429 -52.611 1.00 1.01 C ATOM 1380 CD2 LEU A 92 2.366 9.004 -51.094 1.00 24.41 C ATOM 0 H LEU A 92 -1.285 10.786 -48.437 1.00 74.01 H new ATOM 0 HA LEU A 92 -0.851 8.261 -49.658 1.00 25.41 H new ATOM 0 HB2 LEU A 92 -0.637 10.631 -50.615 1.00 14.43 H new ATOM 0 HB3 LEU A 92 0.885 10.756 -49.756 1.00 14.43 H new ATOM 0 HG LEU A 92 0.387 8.547 -51.752 1.00 74.12 H new ATOM 0 HD11 LEU A 92 1.498 9.981 -53.458 1.00 1.01 H new ATOM 0 HD12 LEU A 92 -0.041 10.683 -52.904 1.00 1.01 H new ATOM 0 HD13 LEU A 92 1.502 11.333 -52.300 1.00 1.01 H new ATOM 0 HD21 LEU A 92 2.848 8.575 -51.973 1.00 24.41 H new ATOM 0 HD22 LEU A 92 2.934 9.870 -50.755 1.00 24.41 H new ATOM 0 HD23 LEU A 92 2.331 8.259 -50.299 1.00 24.41 H new ATOM 1392 N GLY A 93 1.186 7.211 -48.755 1.00 34.21 N ATOM 1393 CA GLY A 93 2.282 6.498 -48.122 1.00 5.55 C ATOM 1394 C GLY A 93 1.904 5.985 -46.750 1.00 72.25 C ATOM 1395 O GLY A 93 2.763 5.571 -45.970 1.00 64.11 O ATOM 0 H GLY A 93 0.718 6.689 -49.496 1.00 34.21 H new ATOM 0 HA2 GLY A 93 2.583 5.661 -48.752 1.00 5.55 H new ATOM 0 HA3 GLY A 93 3.144 7.159 -48.037 1.00 5.55 H new ATOM 1399 N GLU A 94 0.607 6.004 -46.462 1.00 71.34 N ATOM 1400 CA GLU A 94 0.102 5.634 -45.151 1.00 13.03 C ATOM 1401 C GLU A 94 -0.676 4.326 -45.230 1.00 35.11 C ATOM 1402 O GLU A 94 -1.489 4.124 -46.136 1.00 11.33 O ATOM 1403 CB GLU A 94 -0.774 6.772 -44.610 1.00 33.44 C ATOM 1404 CG GLU A 94 -1.132 6.658 -43.134 1.00 42.11 C ATOM 1405 CD GLU A 94 -1.478 8.008 -42.521 1.00 1.35 C ATOM 1406 OE1 GLU A 94 -2.581 8.531 -42.791 1.00 1.51 O ATOM 1407 OE2 GLU A 94 -0.632 8.566 -41.788 1.00 22.02 O ATOM 0 H GLU A 94 -0.117 6.275 -47.128 1.00 71.34 H new ATOM 0 HA GLU A 94 0.936 5.477 -44.467 1.00 13.03 H new ATOM 0 HB2 GLU A 94 -0.257 7.718 -44.772 1.00 33.44 H new ATOM 0 HB3 GLU A 94 -1.696 6.809 -45.191 1.00 33.44 H new ATOM 0 HG2 GLU A 94 -1.978 5.981 -43.018 1.00 42.11 H new ATOM 0 HG3 GLU A 94 -0.295 6.218 -42.592 1.00 42.11 H new ATOM 1414 N LYS A 95 -0.397 3.434 -44.286 1.00 63.35 N ATOM 1415 CA LYS A 95 -1.055 2.136 -44.215 1.00 74.54 C ATOM 1416 C LYS A 95 -1.487 1.856 -42.784 1.00 2.34 C ATOM 1417 O LYS A 95 -0.691 1.994 -41.848 1.00 24.43 O ATOM 1418 CB LYS A 95 -0.115 1.031 -44.724 1.00 62.30 C ATOM 1419 CG LYS A 95 -0.647 -0.388 -44.509 1.00 64.33 C ATOM 1420 CD LYS A 95 0.143 -1.448 -45.289 1.00 65.41 C ATOM 1421 CE LYS A 95 1.619 -1.531 -44.885 1.00 1.24 C ATOM 1422 NZ LYS A 95 2.412 -0.365 -45.363 1.00 21.52 N ATOM 0 H LYS A 95 0.291 3.591 -43.549 1.00 63.35 H new ATOM 0 HA LYS A 95 -1.939 2.150 -44.852 1.00 74.54 H new ATOM 0 HB2 LYS A 95 0.065 1.183 -45.788 1.00 62.30 H new ATOM 0 HB3 LYS A 95 0.847 1.127 -44.221 1.00 62.30 H new ATOM 0 HG2 LYS A 95 -0.612 -0.626 -43.446 1.00 64.33 H new ATOM 0 HG3 LYS A 95 -1.694 -0.428 -44.811 1.00 64.33 H new ATOM 0 HD2 LYS A 95 -0.322 -2.422 -45.136 1.00 65.41 H new ATOM 0 HD3 LYS A 95 0.078 -1.227 -46.354 1.00 65.41 H new ATOM 0 HE2 LYS A 95 1.691 -1.594 -43.799 1.00 1.24 H new ATOM 0 HE3 LYS A 95 2.050 -2.448 -45.287 1.00 1.24 H new ATOM 0 HZ1 LYS A 95 3.308 -0.699 -45.772 1.00 21.52 H new ATOM 0 HZ2 LYS A 95 1.871 0.149 -46.087 1.00 21.52 H new ATOM 0 HZ3 LYS A 95 2.611 0.270 -44.564 1.00 21.52 H new ATOM 1436 N ALA A 96 -2.741 1.465 -42.617 1.00 20.50 N ATOM 1437 CA ALA A 96 -3.299 1.206 -41.299 1.00 55.24 C ATOM 1438 C ALA A 96 -4.123 -0.076 -41.298 1.00 22.35 C ATOM 1439 O ALA A 96 -4.793 -0.402 -42.281 1.00 52.31 O ATOM 1440 CB ALA A 96 -4.148 2.388 -40.838 1.00 14.21 C ATOM 0 H ALA A 96 -3.396 1.319 -43.385 1.00 20.50 H new ATOM 0 HA ALA A 96 -2.473 1.077 -40.600 1.00 55.24 H new ATOM 0 HB1 ALA A 96 -4.558 2.178 -39.850 1.00 14.21 H new ATOM 0 HB2 ALA A 96 -3.529 3.284 -40.791 1.00 14.21 H new ATOM 0 HB3 ALA A 96 -4.964 2.547 -41.543 1.00 14.21 H new ATOM 1446 N LEU A 97 -4.054 -0.800 -40.190 1.00 62.33 N ATOM 1447 CA LEU A 97 -4.871 -1.983 -39.974 1.00 4.54 C ATOM 1448 C LEU A 97 -6.157 -1.549 -39.283 1.00 23.15 C ATOM 1449 O LEU A 97 -6.134 -1.110 -38.131 1.00 2.53 O ATOM 1450 CB LEU A 97 -4.086 -3.007 -39.124 1.00 62.35 C ATOM 1451 CG LEU A 97 -4.803 -4.338 -38.796 1.00 23.42 C ATOM 1452 CD1 LEU A 97 -3.782 -5.441 -38.524 1.00 52.33 C ATOM 1453 CD2 LEU A 97 -5.736 -4.190 -37.589 1.00 12.41 C ATOM 0 H LEU A 97 -3.428 -0.582 -39.415 1.00 62.33 H new ATOM 0 HA LEU A 97 -5.120 -2.465 -40.919 1.00 4.54 H new ATOM 0 HB2 LEU A 97 -3.158 -3.241 -39.646 1.00 62.35 H new ATOM 0 HB3 LEU A 97 -3.811 -2.529 -38.184 1.00 62.35 H new ATOM 0 HG LEU A 97 -5.405 -4.608 -39.663 1.00 23.42 H new ATOM 0 HD11 LEU A 97 -4.303 -6.371 -38.295 1.00 52.33 H new ATOM 0 HD12 LEU A 97 -3.157 -5.583 -39.405 1.00 52.33 H new ATOM 0 HD13 LEU A 97 -3.157 -5.157 -37.677 1.00 52.33 H new ATOM 0 HD21 LEU A 97 -6.223 -5.144 -37.387 1.00 12.41 H new ATOM 0 HD22 LEU A 97 -5.157 -3.886 -36.717 1.00 12.41 H new ATOM 0 HD23 LEU A 97 -6.492 -3.435 -37.804 1.00 12.41 H new ATOM 1465 N PHE A 98 -7.270 -1.635 -40.002 1.00 33.43 N ATOM 1466 CA PHE A 98 -8.551 -1.161 -39.495 1.00 22.33 C ATOM 1467 C PHE A 98 -9.501 -2.337 -39.270 1.00 65.01 C ATOM 1468 O PHE A 98 -9.557 -3.268 -40.079 1.00 52.24 O ATOM 1469 CB PHE A 98 -9.168 -0.149 -40.479 1.00 14.23 C ATOM 1470 CG PHE A 98 -10.263 0.709 -39.880 1.00 54.22 C ATOM 1471 CD1 PHE A 98 -11.552 0.219 -39.727 1.00 1.45 C ATOM 1472 CD2 PHE A 98 -9.996 2.007 -39.469 1.00 54.43 C ATOM 1473 CE1 PHE A 98 -12.549 1.004 -39.178 1.00 61.40 C ATOM 1474 CE2 PHE A 98 -10.991 2.797 -38.920 1.00 53.50 C ATOM 1475 CZ PHE A 98 -12.269 2.293 -38.776 1.00 43.13 C ATOM 0 H PHE A 98 -7.310 -2.030 -40.941 1.00 33.43 H new ATOM 0 HA PHE A 98 -8.388 -0.663 -38.539 1.00 22.33 H new ATOM 0 HB2 PHE A 98 -8.379 0.501 -40.858 1.00 14.23 H new ATOM 0 HB3 PHE A 98 -9.573 -0.691 -41.334 1.00 14.23 H new ATOM 0 HD1 PHE A 98 -11.780 -0.789 -40.041 1.00 1.45 H new ATOM 0 HD2 PHE A 98 -8.999 2.406 -39.579 1.00 54.43 H new ATOM 0 HE1 PHE A 98 -13.547 0.608 -39.064 1.00 61.40 H new ATOM 0 HE2 PHE A 98 -10.769 3.806 -38.605 1.00 53.50 H new ATOM 0 HZ PHE A 98 -13.048 2.908 -38.349 1.00 43.13 H new ATOM 1485 N THR A 99 -10.223 -2.304 -38.158 1.00 0.52 N ATOM 1486 CA THR A 99 -11.222 -3.321 -37.860 1.00 41.40 C ATOM 1487 C THR A 99 -12.576 -2.905 -38.444 1.00 32.20 C ATOM 1488 O THR A 99 -13.224 -1.985 -37.935 1.00 23.33 O ATOM 1489 CB THR A 99 -11.335 -3.534 -36.332 1.00 71.14 C ATOM 1490 OG1 THR A 99 -10.026 -3.775 -35.789 1.00 32.31 O ATOM 1491 CG2 THR A 99 -12.251 -4.710 -35.997 1.00 45.34 C ATOM 0 H THR A 99 -10.135 -1.580 -37.445 1.00 0.52 H new ATOM 0 HA THR A 99 -10.915 -4.263 -38.315 1.00 41.40 H new ATOM 0 HB THR A 99 -11.767 -2.635 -35.893 1.00 71.14 H new ATOM 0 HG1 THR A 99 -10.093 -3.909 -34.820 1.00 32.31 H new ATOM 0 HG21 THR A 99 -12.307 -4.831 -34.915 1.00 45.34 H new ATOM 0 HG22 THR A 99 -13.248 -4.519 -36.393 1.00 45.34 H new ATOM 0 HG23 THR A 99 -11.852 -5.621 -36.443 1.00 45.34 H new ATOM 1499 N ILE A 100 -12.985 -3.571 -39.527 1.00 21.32 N ATOM 1500 CA ILE A 100 -14.203 -3.211 -40.253 1.00 55.40 C ATOM 1501 C ILE A 100 -15.403 -4.014 -39.745 1.00 14.24 C ATOM 1502 O ILE A 100 -15.450 -5.242 -39.906 1.00 1.33 O ATOM 1503 CB ILE A 100 -14.043 -3.448 -41.780 1.00 12.11 C ATOM 1504 CG1 ILE A 100 -12.936 -2.550 -42.359 1.00 60.11 C ATOM 1505 CG2 ILE A 100 -15.366 -3.204 -42.512 1.00 11.45 C ATOM 1506 CD1 ILE A 100 -13.262 -1.070 -42.329 1.00 2.12 C ATOM 0 H ILE A 100 -12.485 -4.368 -39.922 1.00 21.32 H new ATOM 0 HA ILE A 100 -14.377 -2.150 -40.075 1.00 55.40 H new ATOM 0 HB ILE A 100 -13.756 -4.489 -41.929 1.00 12.11 H new ATOM 0 HG12 ILE A 100 -12.016 -2.720 -41.800 1.00 60.11 H new ATOM 0 HG13 ILE A 100 -12.743 -2.848 -43.390 1.00 60.11 H new ATOM 0 HG21 ILE A 100 -15.228 -3.376 -43.579 1.00 11.45 H new ATOM 0 HG22 ILE A 100 -16.125 -3.886 -42.129 1.00 11.45 H new ATOM 0 HG23 ILE A 100 -15.688 -2.175 -42.349 1.00 11.45 H new ATOM 0 HD11 ILE A 100 -12.432 -0.506 -42.754 1.00 2.12 H new ATOM 0 HD12 ILE A 100 -14.164 -0.884 -42.912 1.00 2.12 H new ATOM 0 HD13 ILE A 100 -13.425 -0.754 -41.299 1.00 2.12 H new ATOM 1518 N PRO A 101 -16.383 -3.328 -39.117 1.00 5.44 N ATOM 1519 CA PRO A 101 -17.617 -3.962 -38.641 1.00 42.13 C ATOM 1520 C PRO A 101 -18.581 -4.270 -39.790 1.00 14.34 C ATOM 1521 O PRO A 101 -18.499 -3.662 -40.863 1.00 14.05 O ATOM 1522 CB PRO A 101 -18.204 -2.909 -37.694 1.00 51.24 C ATOM 1523 CG PRO A 101 -17.722 -1.607 -38.240 1.00 0.42 C ATOM 1524 CD PRO A 101 -16.353 -1.880 -38.807 1.00 24.24 C ATOM 0 HA PRO A 101 -17.438 -4.924 -38.162 1.00 42.13 H new ATOM 0 HB2 PRO A 101 -19.293 -2.954 -37.677 1.00 51.24 H new ATOM 0 HB3 PRO A 101 -17.862 -3.061 -36.670 1.00 51.24 H new ATOM 0 HG2 PRO A 101 -18.396 -1.232 -39.010 1.00 0.42 H new ATOM 0 HG3 PRO A 101 -17.677 -0.848 -37.459 1.00 0.42 H new ATOM 0 HD2 PRO A 101 -16.163 -1.283 -39.699 1.00 24.24 H new ATOM 0 HD3 PRO A 101 -15.568 -1.640 -38.090 1.00 24.24 H new ATOM 1532 N TYR A 102 -19.507 -5.198 -39.554 1.00 62.24 N ATOM 1533 CA TYR A 102 -20.413 -5.671 -40.600 1.00 42.32 C ATOM 1534 C TYR A 102 -21.267 -4.538 -41.176 1.00 55.45 C ATOM 1535 O TYR A 102 -21.693 -4.602 -42.328 1.00 63.25 O ATOM 1536 CB TYR A 102 -21.311 -6.803 -40.071 1.00 22.34 C ATOM 1537 CG TYR A 102 -22.320 -6.384 -39.004 1.00 74.23 C ATOM 1538 CD1 TYR A 102 -23.589 -5.928 -39.355 1.00 52.43 C ATOM 1539 CD2 TYR A 102 -22.013 -6.469 -37.648 1.00 34.34 C ATOM 1540 CE1 TYR A 102 -24.513 -5.564 -38.393 1.00 11.43 C ATOM 1541 CE2 TYR A 102 -22.937 -6.111 -36.682 1.00 44.51 C ATOM 1542 CZ TYR A 102 -24.185 -5.660 -37.059 1.00 3.53 C ATOM 1543 OH TYR A 102 -25.110 -5.302 -36.098 1.00 60.43 O ATOM 0 H TYR A 102 -19.650 -5.638 -38.645 1.00 62.24 H new ATOM 0 HA TYR A 102 -19.795 -6.059 -41.409 1.00 42.32 H new ATOM 0 HB2 TYR A 102 -21.853 -7.238 -40.911 1.00 22.34 H new ATOM 0 HB3 TYR A 102 -20.676 -7.588 -39.660 1.00 22.34 H new ATOM 0 HD1 TYR A 102 -23.856 -5.857 -40.399 1.00 52.43 H new ATOM 0 HD2 TYR A 102 -21.038 -6.820 -37.345 1.00 34.34 H new ATOM 0 HE1 TYR A 102 -25.489 -5.206 -38.687 1.00 11.43 H new ATOM 0 HE2 TYR A 102 -22.682 -6.185 -35.635 1.00 44.51 H new ATOM 0 HH TYR A 102 -24.722 -5.429 -35.207 1.00 60.43 H new ATOM 1553 N GLN A 103 -21.502 -3.500 -40.378 1.00 54.01 N ATOM 1554 CA GLN A 103 -22.340 -2.378 -40.806 1.00 73.14 C ATOM 1555 C GLN A 103 -21.688 -1.606 -41.955 1.00 73.11 C ATOM 1556 O GLN A 103 -22.357 -0.857 -42.669 1.00 64.20 O ATOM 1557 CB GLN A 103 -22.606 -1.428 -39.629 1.00 20.21 C ATOM 1558 CG GLN A 103 -21.342 -0.796 -39.055 1.00 52.32 C ATOM 1559 CD GLN A 103 -21.623 0.277 -38.018 1.00 12.35 C ATOM 1560 OE1 GLN A 103 -22.624 0.229 -37.299 1.00 44.32 O ATOM 1561 NE2 GLN A 103 -20.739 1.257 -37.941 1.00 41.41 N ATOM 0 H GLN A 103 -21.126 -3.410 -39.434 1.00 54.01 H new ATOM 0 HA GLN A 103 -23.287 -2.787 -41.159 1.00 73.14 H new ATOM 0 HB2 GLN A 103 -23.281 -0.637 -39.957 1.00 20.21 H new ATOM 0 HB3 GLN A 103 -23.118 -1.977 -38.839 1.00 20.21 H new ATOM 0 HG2 GLN A 103 -20.728 -1.575 -38.604 1.00 52.32 H new ATOM 0 HG3 GLN A 103 -20.760 -0.362 -39.868 1.00 52.32 H new ATOM 0 HE21 GLN A 103 -19.924 1.258 -38.555 1.00 41.41 H new ATOM 0 HE22 GLN A 103 -20.872 2.012 -37.268 1.00 41.41 H new ATOM 1570 N LEU A 104 -20.377 -1.788 -42.123 1.00 62.14 N ATOM 1571 CA LEU A 104 -19.614 -1.061 -43.138 1.00 32.30 C ATOM 1572 C LEU A 104 -19.063 -2.016 -44.195 1.00 63.52 C ATOM 1573 O LEU A 104 -18.194 -1.639 -44.987 1.00 31.32 O ATOM 1574 CB LEU A 104 -18.458 -0.287 -42.476 1.00 72.14 C ATOM 1575 CG LEU A 104 -18.879 0.784 -41.453 1.00 20.21 C ATOM 1576 CD1 LEU A 104 -17.651 1.454 -40.839 1.00 1.30 C ATOM 1577 CD2 LEU A 104 -19.798 1.825 -42.097 1.00 71.42 C ATOM 0 H LEU A 104 -19.820 -2.436 -41.566 1.00 62.14 H new ATOM 0 HA LEU A 104 -20.285 -0.356 -43.629 1.00 32.30 H new ATOM 0 HB2 LEU A 104 -17.803 -1.002 -41.979 1.00 72.14 H new ATOM 0 HB3 LEU A 104 -17.870 0.193 -43.258 1.00 72.14 H new ATOM 0 HG LEU A 104 -19.435 0.290 -40.656 1.00 20.21 H new ATOM 0 HD11 LEU A 104 -17.970 2.208 -40.119 1.00 1.30 H new ATOM 0 HD12 LEU A 104 -17.042 0.704 -40.334 1.00 1.30 H new ATOM 0 HD13 LEU A 104 -17.064 1.929 -41.625 1.00 1.30 H new ATOM 0 HD21 LEU A 104 -20.081 2.570 -41.353 1.00 71.42 H new ATOM 0 HD22 LEU A 104 -19.275 2.313 -42.919 1.00 71.42 H new ATOM 0 HD23 LEU A 104 -20.694 1.334 -42.478 1.00 71.42 H new ATOM 1589 N ALA A 105 -19.586 -3.240 -44.224 1.00 62.01 N ATOM 1590 CA ALA A 105 -19.084 -4.269 -45.133 1.00 15.02 C ATOM 1591 C ALA A 105 -20.160 -5.296 -45.465 1.00 14.10 C ATOM 1592 O ALA A 105 -21.265 -5.262 -44.923 1.00 75.53 O ATOM 1593 CB ALA A 105 -17.866 -4.959 -44.517 1.00 53.05 C ATOM 0 H ALA A 105 -20.357 -3.544 -43.629 1.00 62.01 H new ATOM 0 HA ALA A 105 -18.792 -3.783 -46.064 1.00 15.02 H new ATOM 0 HB1 ALA A 105 -17.497 -5.724 -45.200 1.00 53.05 H new ATOM 0 HB2 ALA A 105 -17.082 -4.223 -44.340 1.00 53.05 H new ATOM 0 HB3 ALA A 105 -18.149 -5.422 -43.572 1.00 53.05 H new ATOM 1599 N TYR A 106 -19.816 -6.215 -46.360 1.00 54.43 N ATOM 1600 CA TYR A 106 -20.714 -7.299 -46.747 1.00 22.33 C ATOM 1601 C TYR A 106 -20.831 -8.329 -45.624 1.00 52.22 C ATOM 1602 O TYR A 106 -21.706 -9.196 -45.657 1.00 2.43 O ATOM 1603 CB TYR A 106 -20.205 -7.978 -48.028 1.00 62.33 C ATOM 1604 CG TYR A 106 -18.816 -8.590 -47.889 1.00 72.41 C ATOM 1605 CD1 TYR A 106 -17.670 -7.825 -48.102 1.00 61.54 C ATOM 1606 CD2 TYR A 106 -18.650 -9.928 -47.539 1.00 15.41 C ATOM 1607 CE1 TYR A 106 -16.408 -8.372 -47.970 1.00 50.11 C ATOM 1608 CE2 TYR A 106 -17.389 -10.480 -47.404 1.00 43.13 C ATOM 1609 CZ TYR A 106 -16.272 -9.697 -47.621 1.00 60.03 C ATOM 1610 OH TYR A 106 -15.018 -10.245 -47.485 1.00 3.12 O ATOM 0 H TYR A 106 -18.914 -6.231 -46.835 1.00 54.43 H new ATOM 0 HA TYR A 106 -21.701 -6.876 -46.936 1.00 22.33 H new ATOM 0 HB2 TYR A 106 -20.908 -8.758 -48.319 1.00 62.33 H new ATOM 0 HB3 TYR A 106 -20.190 -7.246 -48.835 1.00 62.33 H new ATOM 0 HD1 TYR A 106 -17.771 -6.785 -48.375 1.00 61.54 H new ATOM 0 HD2 TYR A 106 -19.520 -10.545 -47.370 1.00 15.41 H new ATOM 0 HE1 TYR A 106 -15.532 -7.763 -48.140 1.00 50.11 H new ATOM 0 HE2 TYR A 106 -17.278 -11.519 -47.130 1.00 43.13 H new ATOM 0 HH TYR A 106 -15.099 -11.189 -47.234 1.00 3.12 H new ATOM 1620 N GLY A 107 -19.952 -8.204 -44.623 1.00 75.14 N ATOM 1621 CA GLY A 107 -19.878 -9.161 -43.528 1.00 10.44 C ATOM 1622 C GLY A 107 -21.200 -9.362 -42.806 1.00 30.53 C ATOM 1623 O GLY A 107 -21.354 -10.322 -42.051 1.00 60.22 O ATOM 0 H GLY A 107 -19.279 -7.440 -44.555 1.00 75.14 H new ATOM 0 HA2 GLY A 107 -19.537 -10.120 -43.917 1.00 10.44 H new ATOM 0 HA3 GLY A 107 -19.130 -8.823 -42.811 1.00 10.44 H new ATOM 1627 N GLU A 108 -22.148 -8.451 -43.028 1.00 42.23 N ATOM 1628 CA GLU A 108 -23.487 -8.581 -42.464 1.00 2.53 C ATOM 1629 C GLU A 108 -24.176 -9.822 -43.026 1.00 1.12 C ATOM 1630 O GLU A 108 -24.617 -10.700 -42.282 1.00 70.21 O ATOM 1631 CB GLU A 108 -24.329 -7.336 -42.772 1.00 42.32 C ATOM 1632 CG GLU A 108 -25.732 -7.386 -42.178 1.00 4.21 C ATOM 1633 CD GLU A 108 -26.575 -6.175 -42.535 1.00 31.05 C ATOM 1634 OE1 GLU A 108 -27.261 -6.207 -43.577 1.00 64.21 O ATOM 1635 OE2 GLU A 108 -26.575 -5.193 -41.765 1.00 42.51 O ATOM 0 H GLU A 108 -22.011 -7.615 -43.596 1.00 42.23 H new ATOM 0 HA GLU A 108 -23.394 -8.680 -41.383 1.00 2.53 H new ATOM 0 HB2 GLU A 108 -23.813 -6.455 -42.390 1.00 42.32 H new ATOM 0 HB3 GLU A 108 -24.405 -7.217 -43.853 1.00 42.32 H new ATOM 0 HG2 GLU A 108 -26.236 -8.287 -42.527 1.00 4.21 H new ATOM 0 HG3 GLU A 108 -25.658 -7.462 -41.093 1.00 4.21 H new ATOM 1642 N ARG A 109 -24.242 -9.887 -44.351 1.00 41.24 N ATOM 1643 CA ARG A 109 -24.918 -10.980 -45.048 1.00 2.14 C ATOM 1644 C ARG A 109 -23.911 -12.042 -45.490 1.00 64.15 C ATOM 1645 O ARG A 109 -24.289 -13.098 -46.003 1.00 50.12 O ATOM 1646 CB ARG A 109 -25.709 -10.419 -46.244 1.00 42.44 C ATOM 1647 CG ARG A 109 -24.877 -9.552 -47.187 1.00 24.32 C ATOM 1648 CD ARG A 109 -25.750 -8.702 -48.111 1.00 60.10 C ATOM 1649 NE ARG A 109 -24.940 -7.868 -49.006 1.00 12.51 N ATOM 1650 CZ ARG A 109 -24.747 -6.554 -48.854 1.00 71.52 C ATOM 1651 NH1 ARG A 109 -25.358 -5.890 -47.880 1.00 63.01 N ATOM 1652 NH2 ARG A 109 -23.954 -5.905 -49.695 1.00 72.20 N ATOM 0 H ARG A 109 -23.832 -9.189 -44.971 1.00 41.24 H new ATOM 0 HA ARG A 109 -25.620 -11.462 -44.367 1.00 2.14 H new ATOM 0 HB2 ARG A 109 -26.132 -11.250 -46.809 1.00 42.44 H new ATOM 0 HB3 ARG A 109 -26.546 -9.830 -45.869 1.00 42.44 H new ATOM 0 HG2 ARG A 109 -24.229 -8.900 -46.601 1.00 24.32 H new ATOM 0 HG3 ARG A 109 -24.229 -10.190 -47.788 1.00 24.32 H new ATOM 0 HD2 ARG A 109 -26.394 -9.352 -48.703 1.00 60.10 H new ATOM 0 HD3 ARG A 109 -26.402 -8.066 -47.512 1.00 60.10 H new ATOM 0 HE ARG A 109 -24.492 -8.323 -49.801 1.00 12.51 H new ATOM 0 HH11 ARG A 109 -25.981 -6.382 -47.240 1.00 63.01 H new ATOM 0 HH12 ARG A 109 -25.204 -4.887 -47.772 1.00 63.01 H new ATOM 0 HH21 ARG A 109 -23.494 -6.408 -50.454 1.00 72.20 H new ATOM 0 HH22 ARG A 109 -23.804 -4.902 -49.583 1.00 72.20 H new ATOM 1666 N GLY A 110 -22.629 -11.746 -45.278 1.00 51.44 N ATOM 1667 CA GLY A 110 -21.567 -12.704 -45.540 1.00 74.31 C ATOM 1668 C GLY A 110 -21.441 -13.087 -47.003 1.00 44.44 C ATOM 1669 O GLY A 110 -20.739 -12.411 -47.756 1.00 52.23 O ATOM 0 H GLY A 110 -22.305 -10.846 -44.924 1.00 51.44 H new ATOM 0 HA2 GLY A 110 -20.620 -12.286 -45.200 1.00 74.31 H new ATOM 0 HA3 GLY A 110 -21.748 -13.604 -44.952 1.00 74.31 H new ATOM 1673 N TYR A 111 -22.155 -14.160 -47.377 1.00 14.34 N ATOM 1674 CA TYR A 111 -22.091 -14.825 -48.698 1.00 51.25 C ATOM 1675 C TYR A 111 -21.191 -16.079 -48.659 1.00 15.01 C ATOM 1676 O TYR A 111 -21.703 -17.186 -48.835 1.00 51.22 O ATOM 1677 CB TYR A 111 -21.714 -13.887 -49.868 1.00 51.01 C ATOM 1678 CG TYR A 111 -22.774 -12.847 -50.189 1.00 1.55 C ATOM 1679 CD1 TYR A 111 -24.068 -13.230 -50.527 1.00 14.33 C ATOM 1680 CD2 TYR A 111 -22.480 -11.487 -50.163 1.00 62.24 C ATOM 1681 CE1 TYR A 111 -25.035 -12.291 -50.825 1.00 51.32 C ATOM 1682 CE2 TYR A 111 -23.444 -10.545 -50.459 1.00 42.35 C ATOM 1683 CZ TYR A 111 -24.718 -10.952 -50.791 1.00 75.40 C ATOM 1684 OH TYR A 111 -25.678 -10.015 -51.092 1.00 34.13 O ATOM 0 H TYR A 111 -22.820 -14.609 -46.747 1.00 14.34 H new ATOM 0 HA TYR A 111 -23.112 -15.143 -48.908 1.00 51.25 H new ATOM 0 HB2 TYR A 111 -20.781 -13.378 -49.627 1.00 51.01 H new ATOM 0 HB3 TYR A 111 -21.528 -14.489 -50.758 1.00 51.01 H new ATOM 0 HD1 TYR A 111 -24.320 -14.280 -50.557 1.00 14.33 H new ATOM 0 HD2 TYR A 111 -21.482 -11.164 -49.907 1.00 62.24 H new ATOM 0 HE1 TYR A 111 -26.035 -12.605 -51.084 1.00 51.32 H new ATOM 0 HE2 TYR A 111 -23.201 -9.493 -50.431 1.00 42.35 H new ATOM 0 HH TYR A 111 -26.561 -10.359 -50.843 1.00 34.13 H new ATOM 1694 N PRO A 112 -19.853 -15.966 -48.436 1.00 71.14 N ATOM 1695 CA PRO A 112 -18.993 -17.145 -48.296 1.00 74.05 C ATOM 1696 C PRO A 112 -19.172 -17.804 -46.923 1.00 44.53 C ATOM 1697 O PRO A 112 -19.194 -17.115 -45.905 1.00 35.22 O ATOM 1698 CB PRO A 112 -17.560 -16.590 -48.452 1.00 3.14 C ATOM 1699 CG PRO A 112 -17.722 -15.157 -48.848 1.00 55.31 C ATOM 1700 CD PRO A 112 -19.061 -14.734 -48.318 1.00 34.32 C ATOM 0 HA PRO A 112 -19.229 -17.916 -49.030 1.00 74.05 H new ATOM 0 HB2 PRO A 112 -17.002 -16.678 -47.520 1.00 3.14 H new ATOM 0 HB3 PRO A 112 -17.005 -17.145 -49.209 1.00 3.14 H new ATOM 0 HG2 PRO A 112 -16.924 -14.543 -48.429 1.00 55.31 H new ATOM 0 HG3 PRO A 112 -17.677 -15.043 -49.931 1.00 55.31 H new ATOM 0 HD2 PRO A 112 -18.998 -14.389 -47.286 1.00 34.32 H new ATOM 0 HD3 PRO A 112 -19.489 -13.919 -48.901 1.00 34.32 H new ATOM 1708 N PRO A 113 -19.280 -19.148 -46.874 1.00 75.52 N ATOM 1709 CA PRO A 113 -19.490 -19.888 -45.614 1.00 14.13 C ATOM 1710 C PRO A 113 -18.342 -19.696 -44.618 1.00 51.33 C ATOM 1711 O PRO A 113 -18.471 -20.012 -43.432 1.00 50.55 O ATOM 1712 CB PRO A 113 -19.585 -21.356 -46.070 1.00 71.32 C ATOM 1713 CG PRO A 113 -18.922 -21.390 -47.406 1.00 43.15 C ATOM 1714 CD PRO A 113 -19.213 -20.055 -48.034 1.00 14.23 C ATOM 0 HA PRO A 113 -20.375 -19.540 -45.081 1.00 14.13 H new ATOM 0 HB2 PRO A 113 -19.086 -22.021 -45.365 1.00 71.32 H new ATOM 0 HB3 PRO A 113 -20.623 -21.682 -46.136 1.00 71.32 H new ATOM 0 HG2 PRO A 113 -17.849 -21.551 -47.307 1.00 43.15 H new ATOM 0 HG3 PRO A 113 -19.312 -22.204 -48.017 1.00 43.15 H new ATOM 0 HD2 PRO A 113 -18.430 -19.759 -48.733 1.00 14.23 H new ATOM 0 HD3 PRO A 113 -20.150 -20.067 -48.591 1.00 14.23 H new ATOM 1722 N VAL A 114 -17.218 -19.179 -45.110 1.00 63.42 N ATOM 1723 CA VAL A 114 -16.058 -18.907 -44.265 1.00 23.21 C ATOM 1724 C VAL A 114 -16.299 -17.649 -43.424 1.00 74.31 C ATOM 1725 O VAL A 114 -15.667 -17.449 -42.382 1.00 2.15 O ATOM 1726 CB VAL A 114 -14.772 -18.733 -45.116 1.00 34.22 C ATOM 1727 CG1 VAL A 114 -13.538 -18.577 -44.226 1.00 33.32 C ATOM 1728 CG2 VAL A 114 -14.602 -19.909 -46.081 1.00 53.14 C ATOM 0 H VAL A 114 -17.086 -18.940 -46.093 1.00 63.42 H new ATOM 0 HA VAL A 114 -15.918 -19.762 -43.603 1.00 23.21 H new ATOM 0 HB VAL A 114 -14.877 -17.820 -45.702 1.00 34.22 H new ATOM 0 HG11 VAL A 114 -12.652 -18.457 -44.850 1.00 33.32 H new ATOM 0 HG12 VAL A 114 -13.656 -17.699 -43.591 1.00 33.32 H new ATOM 0 HG13 VAL A 114 -13.425 -19.464 -43.602 1.00 33.32 H new ATOM 0 HG21 VAL A 114 -13.695 -19.769 -46.669 1.00 53.14 H new ATOM 0 HG22 VAL A 114 -14.527 -20.837 -45.514 1.00 53.14 H new ATOM 0 HG23 VAL A 114 -15.463 -19.960 -46.748 1.00 53.14 H new ATOM 1738 N ILE A 115 -17.233 -16.817 -43.879 1.00 51.04 N ATOM 1739 CA ILE A 115 -17.582 -15.578 -43.193 1.00 15.41 C ATOM 1740 C ILE A 115 -18.863 -15.772 -42.377 1.00 5.40 C ATOM 1741 O ILE A 115 -19.921 -16.059 -42.942 1.00 35.31 O ATOM 1742 CB ILE A 115 -17.785 -14.412 -44.199 1.00 64.33 C ATOM 1743 CG1 ILE A 115 -16.520 -14.203 -45.056 1.00 53.33 C ATOM 1744 CG2 ILE A 115 -18.161 -13.119 -43.468 1.00 50.30 C ATOM 1745 CD1 ILE A 115 -15.291 -13.807 -44.262 1.00 54.20 C ATOM 0 H ILE A 115 -17.767 -16.983 -44.732 1.00 51.04 H new ATOM 0 HA ILE A 115 -16.756 -15.322 -42.529 1.00 15.41 H new ATOM 0 HB ILE A 115 -18.608 -14.679 -44.862 1.00 64.33 H new ATOM 0 HG12 ILE A 115 -16.307 -15.123 -45.600 1.00 53.33 H new ATOM 0 HG13 ILE A 115 -16.722 -13.433 -45.800 1.00 53.33 H new ATOM 0 HG21 ILE A 115 -18.298 -12.317 -44.194 1.00 50.30 H new ATOM 0 HG22 ILE A 115 -19.088 -13.270 -42.915 1.00 50.30 H new ATOM 0 HG23 ILE A 115 -17.365 -12.849 -42.774 1.00 50.30 H new ATOM 0 HD11 ILE A 115 -14.446 -13.680 -44.939 1.00 54.20 H new ATOM 0 HD12 ILE A 115 -15.482 -12.870 -43.740 1.00 54.20 H new ATOM 0 HD13 ILE A 115 -15.060 -14.587 -43.536 1.00 54.20 H new ATOM 1757 N PRO A 116 -18.781 -15.651 -41.035 1.00 1.54 N ATOM 1758 CA PRO A 116 -19.957 -15.747 -40.157 1.00 4.42 C ATOM 1759 C PRO A 116 -20.967 -14.623 -40.426 1.00 1.54 C ATOM 1760 O PRO A 116 -20.593 -13.550 -40.905 1.00 44.24 O ATOM 1761 CB PRO A 116 -19.366 -15.624 -38.736 1.00 0.11 C ATOM 1762 CG PRO A 116 -17.910 -15.915 -38.893 1.00 2.34 C ATOM 1763 CD PRO A 116 -17.543 -15.431 -40.268 1.00 73.41 C ATOM 0 HA PRO A 116 -20.510 -16.673 -40.313 1.00 4.42 H new ATOM 0 HB2 PRO A 116 -19.527 -14.626 -38.327 1.00 0.11 H new ATOM 0 HB3 PRO A 116 -19.837 -16.329 -38.051 1.00 0.11 H new ATOM 0 HG2 PRO A 116 -17.324 -15.404 -38.129 1.00 2.34 H new ATOM 0 HG3 PRO A 116 -17.710 -16.981 -38.787 1.00 2.34 H new ATOM 0 HD2 PRO A 116 -17.252 -14.380 -40.262 1.00 73.41 H new ATOM 0 HD3 PRO A 116 -16.705 -15.991 -40.683 1.00 73.41 H new ATOM 1771 N PRO A 117 -22.261 -14.855 -40.123 1.00 32.11 N ATOM 1772 CA PRO A 117 -23.310 -13.847 -40.333 1.00 23.42 C ATOM 1773 C PRO A 117 -23.116 -12.626 -39.431 1.00 61.41 C ATOM 1774 O PRO A 117 -22.994 -12.760 -38.210 1.00 22.34 O ATOM 1775 CB PRO A 117 -24.606 -14.593 -39.976 1.00 44.33 C ATOM 1776 CG PRO A 117 -24.171 -15.707 -39.081 1.00 52.33 C ATOM 1777 CD PRO A 117 -22.801 -16.107 -39.558 1.00 32.41 C ATOM 0 HA PRO A 117 -23.307 -13.454 -41.350 1.00 23.42 H new ATOM 0 HB2 PRO A 117 -25.315 -13.936 -39.473 1.00 44.33 H new ATOM 0 HB3 PRO A 117 -25.102 -14.974 -40.869 1.00 44.33 H new ATOM 0 HG2 PRO A 117 -24.144 -15.384 -38.040 1.00 52.33 H new ATOM 0 HG3 PRO A 117 -24.864 -16.546 -39.136 1.00 52.33 H new ATOM 0 HD2 PRO A 117 -22.183 -16.479 -38.741 1.00 32.41 H new ATOM 0 HD3 PRO A 117 -22.850 -16.898 -40.306 1.00 32.41 H new ATOM 1785 N LYS A 118 -23.096 -11.440 -40.044 1.00 12.23 N ATOM 1786 CA LYS A 118 -22.861 -10.185 -39.327 1.00 22.13 C ATOM 1787 C LYS A 118 -21.530 -10.229 -38.585 1.00 41.51 C ATOM 1788 O LYS A 118 -21.451 -9.906 -37.397 1.00 20.11 O ATOM 1789 CB LYS A 118 -24.019 -9.869 -38.366 1.00 64.12 C ATOM 1790 CG LYS A 118 -25.345 -9.629 -39.082 1.00 0.22 C ATOM 1791 CD LYS A 118 -26.427 -9.119 -38.140 1.00 12.22 C ATOM 1792 CE LYS A 118 -26.755 -10.122 -37.041 1.00 54.44 C ATOM 1793 NZ LYS A 118 -27.857 -9.637 -36.169 1.00 73.32 N ATOM 0 H LYS A 118 -23.242 -11.323 -41.047 1.00 12.23 H new ATOM 0 HA LYS A 118 -22.813 -9.381 -40.062 1.00 22.13 H new ATOM 0 HB2 LYS A 118 -24.136 -10.695 -37.665 1.00 64.12 H new ATOM 0 HB3 LYS A 118 -23.765 -8.986 -37.779 1.00 64.12 H new ATOM 0 HG2 LYS A 118 -25.196 -8.907 -39.885 1.00 0.22 H new ATOM 0 HG3 LYS A 118 -25.678 -10.558 -39.546 1.00 0.22 H new ATOM 0 HD2 LYS A 118 -26.101 -8.182 -37.688 1.00 12.22 H new ATOM 0 HD3 LYS A 118 -27.329 -8.900 -38.711 1.00 12.22 H new ATOM 0 HE2 LYS A 118 -27.037 -11.075 -37.489 1.00 54.44 H new ATOM 0 HE3 LYS A 118 -25.866 -10.305 -36.437 1.00 54.44 H new ATOM 0 HZ1 LYS A 118 -28.054 -10.344 -35.432 1.00 73.32 H new ATOM 0 HZ2 LYS A 118 -27.577 -8.741 -35.722 1.00 73.32 H new ATOM 0 HZ3 LYS A 118 -28.712 -9.486 -36.742 1.00 73.32 H new ATOM 1807 N ALA A 119 -20.486 -10.622 -39.306 1.00 25.12 N ATOM 1808 CA ALA A 119 -19.151 -10.746 -38.734 1.00 55.24 C ATOM 1809 C ALA A 119 -18.319 -9.493 -38.989 1.00 12.24 C ATOM 1810 O ALA A 119 -18.491 -8.810 -40.002 1.00 74.12 O ATOM 1811 CB ALA A 119 -18.440 -11.972 -39.298 1.00 71.50 C ATOM 0 H ALA A 119 -20.540 -10.862 -40.296 1.00 25.12 H new ATOM 0 HA ALA A 119 -19.262 -10.865 -37.656 1.00 55.24 H new ATOM 0 HB1 ALA A 119 -17.445 -12.049 -38.860 1.00 71.50 H new ATOM 0 HB2 ALA A 119 -19.013 -12.868 -39.057 1.00 71.50 H new ATOM 0 HB3 ALA A 119 -18.354 -11.877 -40.380 1.00 71.50 H new ATOM 1817 N THR A 120 -17.422 -9.201 -38.056 1.00 51.12 N ATOM 1818 CA THR A 120 -16.482 -8.096 -38.186 1.00 71.23 C ATOM 1819 C THR A 120 -15.115 -8.630 -38.618 1.00 20.24 C ATOM 1820 O THR A 120 -14.614 -9.597 -38.038 1.00 3.02 O ATOM 1821 CB THR A 120 -16.361 -7.340 -36.847 1.00 65.31 C ATOM 1822 OG1 THR A 120 -17.646 -6.821 -36.474 1.00 65.31 O ATOM 1823 CG2 THR A 120 -15.344 -6.205 -36.931 1.00 44.33 C ATOM 0 H THR A 120 -17.326 -9.725 -37.186 1.00 51.12 H new ATOM 0 HA THR A 120 -16.848 -7.403 -38.943 1.00 71.23 H new ATOM 0 HB THR A 120 -16.010 -8.042 -36.090 1.00 65.31 H new ATOM 0 HG1 THR A 120 -17.611 -6.493 -35.551 1.00 65.31 H new ATOM 0 HG21 THR A 120 -15.287 -5.696 -35.969 1.00 44.33 H new ATOM 0 HG22 THR A 120 -14.365 -6.612 -37.185 1.00 44.33 H new ATOM 0 HG23 THR A 120 -15.653 -5.496 -37.699 1.00 44.33 H new ATOM 1831 N LEU A 121 -14.518 -8.014 -39.636 1.00 2.41 N ATOM 1832 CA LEU A 121 -13.266 -8.516 -40.208 1.00 73.03 C ATOM 1833 C LEU A 121 -12.153 -7.482 -40.079 1.00 70.13 C ATOM 1834 O LEU A 121 -12.412 -6.296 -39.873 1.00 70.31 O ATOM 1835 CB LEU A 121 -13.444 -8.902 -41.691 1.00 5.25 C ATOM 1836 CG LEU A 121 -14.352 -10.115 -41.986 1.00 44.23 C ATOM 1837 CD1 LEU A 121 -13.966 -11.317 -41.125 1.00 63.11 C ATOM 1838 CD2 LEU A 121 -15.831 -9.765 -41.807 1.00 11.54 C ATOM 0 H LEU A 121 -14.877 -7.170 -40.082 1.00 2.41 H new ATOM 0 HA LEU A 121 -12.988 -9.407 -39.645 1.00 73.03 H new ATOM 0 HB2 LEU A 121 -13.846 -8.039 -42.222 1.00 5.25 H new ATOM 0 HB3 LEU A 121 -12.459 -9.104 -42.111 1.00 5.25 H new ATOM 0 HG LEU A 121 -14.201 -10.388 -43.030 1.00 44.23 H new ATOM 0 HD11 LEU A 121 -14.623 -12.156 -41.355 1.00 63.11 H new ATOM 0 HD12 LEU A 121 -12.933 -11.597 -41.333 1.00 63.11 H new ATOM 0 HD13 LEU A 121 -14.066 -11.057 -40.071 1.00 63.11 H new ATOM 0 HD21 LEU A 121 -16.441 -10.642 -42.023 1.00 11.54 H new ATOM 0 HD22 LEU A 121 -16.007 -9.444 -40.780 1.00 11.54 H new ATOM 0 HD23 LEU A 121 -16.099 -8.959 -42.490 1.00 11.54 H new ATOM 1850 N VAL A 122 -10.911 -7.942 -40.206 1.00 31.41 N ATOM 1851 CA VAL A 122 -9.752 -7.063 -40.159 1.00 43.23 C ATOM 1852 C VAL A 122 -9.299 -6.750 -41.579 1.00 70.11 C ATOM 1853 O VAL A 122 -9.175 -7.652 -42.401 1.00 44.44 O ATOM 1854 CB VAL A 122 -8.584 -7.716 -39.377 1.00 61.11 C ATOM 1855 CG1 VAL A 122 -7.355 -6.811 -39.369 1.00 50.24 C ATOM 1856 CG2 VAL A 122 -9.018 -8.060 -37.951 1.00 74.23 C ATOM 0 H VAL A 122 -10.683 -8.927 -40.343 1.00 31.41 H new ATOM 0 HA VAL A 122 -10.037 -6.146 -39.644 1.00 43.23 H new ATOM 0 HB VAL A 122 -8.312 -8.641 -39.884 1.00 61.11 H new ATOM 0 HG11 VAL A 122 -6.551 -7.294 -38.814 1.00 50.24 H new ATOM 0 HG12 VAL A 122 -7.030 -6.630 -40.394 1.00 50.24 H new ATOM 0 HG13 VAL A 122 -7.605 -5.862 -38.894 1.00 50.24 H new ATOM 0 HG21 VAL A 122 -8.185 -8.518 -37.417 1.00 74.23 H new ATOM 0 HG22 VAL A 122 -9.324 -7.150 -37.434 1.00 74.23 H new ATOM 0 HG23 VAL A 122 -9.855 -8.758 -37.984 1.00 74.23 H new ATOM 1866 N PHE A 123 -9.074 -5.477 -41.876 1.00 33.02 N ATOM 1867 CA PHE A 123 -8.634 -5.070 -43.208 1.00 14.15 C ATOM 1868 C PHE A 123 -7.494 -4.060 -43.129 1.00 24.01 C ATOM 1869 O PHE A 123 -7.618 -3.010 -42.493 1.00 14.25 O ATOM 1870 CB PHE A 123 -9.802 -4.477 -44.016 1.00 30.11 C ATOM 1871 CG PHE A 123 -10.816 -5.504 -44.463 1.00 10.14 C ATOM 1872 CD1 PHE A 123 -10.567 -6.307 -45.568 1.00 52.10 C ATOM 1873 CD2 PHE A 123 -12.013 -5.666 -43.783 1.00 51.11 C ATOM 1874 CE1 PHE A 123 -11.489 -7.248 -45.981 1.00 34.12 C ATOM 1875 CE2 PHE A 123 -12.939 -6.605 -44.192 1.00 23.22 C ATOM 1876 CZ PHE A 123 -12.677 -7.397 -45.291 1.00 24.21 C ATOM 0 H PHE A 123 -9.188 -4.708 -41.215 1.00 33.02 H new ATOM 0 HA PHE A 123 -8.271 -5.963 -43.717 1.00 14.15 H new ATOM 0 HB2 PHE A 123 -10.305 -3.723 -43.411 1.00 30.11 H new ATOM 0 HB3 PHE A 123 -9.403 -3.968 -44.893 1.00 30.11 H new ATOM 0 HD1 PHE A 123 -9.640 -6.194 -46.111 1.00 52.10 H new ATOM 0 HD2 PHE A 123 -12.224 -5.049 -42.922 1.00 51.11 H new ATOM 0 HE1 PHE A 123 -11.282 -7.867 -46.842 1.00 34.12 H new ATOM 0 HE2 PHE A 123 -13.867 -6.719 -43.652 1.00 23.22 H new ATOM 0 HZ PHE A 123 -13.400 -8.133 -45.612 1.00 24.21 H new ATOM 1886 N GLU A 124 -6.384 -4.394 -43.771 1.00 64.31 N ATOM 1887 CA GLU A 124 -5.260 -3.482 -43.908 1.00 51.31 C ATOM 1888 C GLU A 124 -5.486 -2.594 -45.124 1.00 24.30 C ATOM 1889 O GLU A 124 -5.478 -3.072 -46.262 1.00 64.22 O ATOM 1890 CB GLU A 124 -3.945 -4.255 -44.059 1.00 15.04 C ATOM 1891 CG GLU A 124 -3.553 -5.062 -42.827 1.00 23.21 C ATOM 1892 CD GLU A 124 -2.215 -5.762 -42.991 1.00 12.02 C ATOM 1893 OE1 GLU A 124 -1.184 -5.067 -43.103 1.00 32.21 O ATOM 1894 OE2 GLU A 124 -2.181 -7.012 -42.990 1.00 21.31 O ATOM 0 H GLU A 124 -6.238 -5.303 -44.210 1.00 64.31 H new ATOM 0 HA GLU A 124 -5.189 -2.869 -43.010 1.00 51.31 H new ATOM 0 HB2 GLU A 124 -4.028 -4.930 -44.911 1.00 15.04 H new ATOM 0 HB3 GLU A 124 -3.146 -3.550 -44.288 1.00 15.04 H new ATOM 0 HG2 GLU A 124 -3.509 -4.400 -41.962 1.00 23.21 H new ATOM 0 HG3 GLU A 124 -4.325 -5.804 -42.622 1.00 23.21 H new ATOM 1901 N VAL A 125 -5.725 -1.312 -44.875 1.00 22.33 N ATOM 1902 CA VAL A 125 -5.944 -0.344 -45.941 1.00 0.42 C ATOM 1903 C VAL A 125 -4.718 0.556 -46.088 1.00 41.00 C ATOM 1904 O VAL A 125 -4.064 0.892 -45.098 1.00 20.15 O ATOM 1905 CB VAL A 125 -7.214 0.515 -45.685 1.00 20.05 C ATOM 1906 CG1 VAL A 125 -8.478 -0.328 -45.857 1.00 34.15 C ATOM 1907 CG2 VAL A 125 -7.176 1.145 -44.294 1.00 11.44 C ATOM 0 H VAL A 125 -5.772 -0.917 -43.936 1.00 22.33 H new ATOM 0 HA VAL A 125 -6.101 -0.896 -46.868 1.00 0.42 H new ATOM 0 HB VAL A 125 -7.232 1.319 -46.421 1.00 20.05 H new ATOM 0 HG11 VAL A 125 -9.356 0.291 -45.674 1.00 34.15 H new ATOM 0 HG12 VAL A 125 -8.517 -0.722 -46.873 1.00 34.15 H new ATOM 0 HG13 VAL A 125 -8.463 -1.155 -45.147 1.00 34.15 H new ATOM 0 HG21 VAL A 125 -8.076 1.741 -44.140 1.00 11.44 H new ATOM 0 HG22 VAL A 125 -7.127 0.359 -43.540 1.00 11.44 H new ATOM 0 HG23 VAL A 125 -6.298 1.785 -44.208 1.00 11.44 H new ATOM 1917 N GLU A 126 -4.404 0.925 -47.325 1.00 43.13 N ATOM 1918 CA GLU A 126 -3.194 1.681 -47.628 1.00 63.02 C ATOM 1919 C GLU A 126 -3.423 2.621 -48.811 1.00 75.21 C ATOM 1920 O GLU A 126 -3.988 2.219 -49.832 1.00 73.13 O ATOM 1921 CB GLU A 126 -2.055 0.697 -47.932 1.00 51.44 C ATOM 1922 CG GLU A 126 -0.740 1.350 -48.343 1.00 43.20 C ATOM 1923 CD GLU A 126 0.376 0.335 -48.509 1.00 3.30 C ATOM 1924 OE1 GLU A 126 0.231 -0.586 -49.343 1.00 32.43 O ATOM 1925 OE2 GLU A 126 1.391 0.435 -47.788 1.00 33.31 O ATOM 0 H GLU A 126 -4.977 0.710 -48.141 1.00 43.13 H new ATOM 0 HA GLU A 126 -2.926 2.294 -46.767 1.00 63.02 H new ATOM 0 HB2 GLU A 126 -1.879 0.082 -47.049 1.00 51.44 H new ATOM 0 HB3 GLU A 126 -2.376 0.026 -48.729 1.00 51.44 H new ATOM 0 HG2 GLU A 126 -0.881 1.889 -49.280 1.00 43.20 H new ATOM 0 HG3 GLU A 126 -0.451 2.086 -47.592 1.00 43.20 H new ATOM 1932 N LEU A 127 -2.997 3.871 -48.664 1.00 44.31 N ATOM 1933 CA LEU A 127 -3.098 4.861 -49.733 1.00 71.21 C ATOM 1934 C LEU A 127 -1.720 5.036 -50.382 1.00 21.13 C ATOM 1935 O LEU A 127 -0.785 5.529 -49.747 1.00 72.31 O ATOM 1936 CB LEU A 127 -3.622 6.200 -49.161 1.00 2.35 C ATOM 1937 CG LEU A 127 -4.155 7.241 -50.177 1.00 62.44 C ATOM 1938 CD1 LEU A 127 -3.044 7.791 -51.068 1.00 31.13 C ATOM 1939 CD2 LEU A 127 -5.273 6.647 -51.026 1.00 41.12 C ATOM 0 H LEU A 127 -2.574 4.226 -47.806 1.00 44.31 H new ATOM 0 HA LEU A 127 -3.803 4.523 -50.493 1.00 71.21 H new ATOM 0 HB2 LEU A 127 -4.422 5.976 -48.455 1.00 2.35 H new ATOM 0 HB3 LEU A 127 -2.816 6.664 -48.593 1.00 2.35 H new ATOM 0 HG LEU A 127 -4.557 8.074 -49.601 1.00 62.44 H new ATOM 0 HD11 LEU A 127 -3.462 8.517 -51.765 1.00 31.13 H new ATOM 0 HD12 LEU A 127 -2.288 8.275 -50.450 1.00 31.13 H new ATOM 0 HD13 LEU A 127 -2.587 6.974 -51.626 1.00 31.13 H new ATOM 0 HD21 LEU A 127 -5.631 7.396 -51.732 1.00 41.12 H new ATOM 0 HD22 LEU A 127 -4.895 5.784 -51.574 1.00 41.12 H new ATOM 0 HD23 LEU A 127 -6.094 6.335 -50.380 1.00 41.12 H new ATOM 1951 N LEU A 128 -1.599 4.625 -51.645 1.00 14.43 N ATOM 1952 CA LEU A 128 -0.318 4.680 -52.355 1.00 30.41 C ATOM 1953 C LEU A 128 -0.137 6.020 -53.057 1.00 2.23 C ATOM 1954 O LEU A 128 0.938 6.616 -53.002 1.00 15.42 O ATOM 1955 CB LEU A 128 -0.201 3.536 -53.381 1.00 73.21 C ATOM 1956 CG LEU A 128 0.048 2.135 -52.791 1.00 25.15 C ATOM 1957 CD1 LEU A 128 1.335 2.111 -51.970 1.00 61.42 C ATOM 1958 CD2 LEU A 128 -1.139 1.683 -51.951 1.00 51.52 C ATOM 0 H LEU A 128 -2.370 4.251 -52.198 1.00 14.43 H new ATOM 0 HA LEU A 128 0.470 4.564 -51.610 1.00 30.41 H new ATOM 0 HB2 LEU A 128 -1.118 3.505 -53.970 1.00 73.21 H new ATOM 0 HB3 LEU A 128 0.612 3.771 -54.069 1.00 73.21 H new ATOM 0 HG LEU A 128 0.163 1.435 -53.619 1.00 25.15 H new ATOM 0 HD11 LEU A 128 1.489 1.111 -51.564 1.00 61.42 H new ATOM 0 HD12 LEU A 128 2.178 2.378 -52.607 1.00 61.42 H new ATOM 0 HD13 LEU A 128 1.258 2.827 -51.152 1.00 61.42 H new ATOM 0 HD21 LEU A 128 -0.941 0.691 -51.545 1.00 51.52 H new ATOM 0 HD22 LEU A 128 -1.294 2.386 -51.133 1.00 51.52 H new ATOM 0 HD23 LEU A 128 -2.033 1.648 -52.574 1.00 51.52 H new ATOM 1970 N ALA A 129 -1.186 6.490 -53.723 1.00 4.43 N ATOM 1971 CA ALA A 129 -1.113 7.742 -54.474 1.00 1.24 C ATOM 1972 C ALA A 129 -2.439 8.491 -54.423 1.00 55.22 C ATOM 1973 O ALA A 129 -3.508 7.878 -54.464 1.00 1.51 O ATOM 1974 CB ALA A 129 -0.706 7.470 -55.920 1.00 14.11 C ATOM 0 H ALA A 129 -2.094 6.027 -53.759 1.00 4.43 H new ATOM 0 HA ALA A 129 -0.355 8.372 -54.010 1.00 1.24 H new ATOM 0 HB1 ALA A 129 -0.656 8.411 -56.467 1.00 14.11 H new ATOM 0 HB2 ALA A 129 0.271 6.987 -55.938 1.00 14.11 H new ATOM 0 HB3 ALA A 129 -1.442 6.817 -56.389 1.00 14.11 H new ATOM 1980 N VAL A 130 -2.359 9.814 -54.320 1.00 71.35 N ATOM 1981 CA VAL A 130 -3.540 10.667 -54.320 1.00 3.33 C ATOM 1982 C VAL A 130 -3.747 11.242 -55.723 1.00 10.44 C ATOM 1983 O VAL A 130 -3.143 12.291 -56.042 1.00 70.32 O ATOM 1984 CB VAL A 130 -3.420 11.822 -53.283 1.00 20.24 C ATOM 1985 CG1 VAL A 130 -4.696 12.666 -53.253 1.00 51.34 C ATOM 1986 CG2 VAL A 130 -3.106 11.273 -51.892 1.00 32.12 C ATOM 1987 OXT VAL A 130 -4.475 10.619 -56.516 1.00 0.00 O ATOM 0 H VAL A 130 -1.478 10.322 -54.235 1.00 71.35 H new ATOM 0 HA VAL A 130 -4.399 10.060 -54.034 1.00 3.33 H new ATOM 0 HB VAL A 130 -2.595 12.464 -53.591 1.00 20.24 H new ATOM 0 HG11 VAL A 130 -4.586 13.466 -52.521 1.00 51.34 H new ATOM 0 HG12 VAL A 130 -4.870 13.098 -54.239 1.00 51.34 H new ATOM 0 HG13 VAL A 130 -5.542 12.036 -52.978 1.00 51.34 H new ATOM 0 HG21 VAL A 130 -3.027 12.098 -51.184 1.00 32.12 H new ATOM 0 HG22 VAL A 130 -3.904 10.601 -51.577 1.00 32.12 H new ATOM 0 HG23 VAL A 130 -2.163 10.728 -51.920 1.00 32.12 H new