USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 807 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: B 311 SER OG : rot -120:sc= 0.209 USER MOD Set 1.2: B 312 SER OG : rot 112:sc= 1.23 USER MOD Set 2.1: A 72 GLN : amide:sc= -0.693 K(o=-0.5,f=-3.7!) USER MOD Set 2.2: B 305 THR OG1 : rot 33:sc= 0.19 USER MOD Set 3.1: A 36 LYS NZ :NH3+ 144:sc= 1.27 (180deg=0.829) USER MOD Set 3.2: A 60 TYR OH : rot 165:sc= 1.33 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 0.99 (180deg=0.491) USER MOD Single : A 40 SER OG : rot 53:sc= 1.28 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 146:sc= 1.17 (180deg=0.627) USER MOD Single : A 47 THR OG1 : rot 34:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= 0.00415 USER MOD Single : A 49 THR OG1 : rot -87:sc= 1.04 USER MOD Single : A 50 MET CE :methyl 138:sc= -0.466 (180deg=-2.62!) USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 1.7 (180deg=1.53) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.364 K(o=0.36,f=-0.27) USER MOD Single : A 62 MET CE :methyl 163:sc= -0.0894 (180deg=-0.483) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.02) USER MOD Single : A 76 TYR OH : rot 61:sc= 1.12 USER MOD Single : A 77 CYS SG : rot 130:sc= -4.86! USER MOD Single : A 78 SER OG : rot -58:sc= 0.254 USER MOD Single : A 79 ASN : amide:sc= -0.0116 K(o=-0.012,f=-1) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 37:sc= -0.69 USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -0.146 (180deg=-0.685) USER MOD Single : A 96 HIS : no HD1:sc= -0.725 K(o=-0.72,f=-0.22) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= -0.0467 (180deg=-0.354) USER MOD Single : A 100 TYR OH : rot 18:sc= 1.17 USER MOD Single : A 101 THR OG1 : rot 18:sc= -1.3! USER MOD Single : A 102 MET CE :methyl -174:sc= -0.669 (180deg=-0.813) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.31! C(o=-1.3!,f=-6.6!) USER MOD Single : B 308 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 333 N LEU A 27 43.744 -20.559 -6.966 1.00 5.11 N ATOM 334 CA LEU A 27 44.673 -21.637 -6.734 1.00 60.50 C ATOM 335 C LEU A 27 45.746 -21.545 -7.757 1.00 75.55 C ATOM 336 O LEU A 27 45.470 -21.304 -8.948 1.00 13.21 O ATOM 337 CB LEU A 27 44.007 -23.005 -6.804 1.00 70.13 C ATOM 338 CG LEU A 27 43.005 -23.322 -5.711 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.396 -24.690 -5.939 1.00 0.21 C ATOM 340 CD2 LEU A 27 43.664 -23.264 -4.342 1.00 40.21 C ATOM 0 HA LEU A 27 45.077 -21.537 -5.727 1.00 60.50 H new ATOM 0 HB2 LEU A 27 43.502 -23.091 -7.766 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.787 -23.766 -6.784 1.00 70.13 H new ATOM 0 HG LEU A 27 42.214 -22.573 -5.744 1.00 24.53 H new ATOM 0 HD11 LEU A 27 41.678 -24.905 -5.147 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.888 -24.706 -6.903 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.183 -25.444 -5.931 1.00 0.21 H new ATOM 0 HD21 LEU A 27 42.927 -23.495 -3.573 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.475 -23.991 -4.297 1.00 40.21 H new ATOM 0 HD23 LEU A 27 44.064 -22.264 -4.173 1.00 40.21 H new ATOM 352 N VAL A 28 46.944 -21.733 -7.338 1.00 40.25 N ATOM 353 CA VAL A 28 48.048 -21.554 -8.213 1.00 11.42 C ATOM 354 C VAL A 28 48.491 -22.890 -8.748 1.00 51.22 C ATOM 355 O VAL A 28 48.259 -23.938 -8.130 1.00 23.41 O ATOM 356 CB VAL A 28 49.247 -20.860 -7.479 1.00 72.31 C ATOM 357 CG1 VAL A 28 48.793 -19.570 -6.803 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.911 -21.787 -6.452 1.00 61.10 C ATOM 0 H VAL A 28 47.188 -22.013 -6.388 1.00 40.25 H new ATOM 0 HA VAL A 28 47.731 -20.911 -9.034 1.00 11.42 H new ATOM 0 HB VAL A 28 49.991 -20.622 -8.240 1.00 72.31 H new ATOM 0 HG11 VAL A 28 49.641 -19.105 -6.300 1.00 1.12 H new ATOM 0 HG12 VAL A 28 48.397 -18.886 -7.553 1.00 1.12 H new ATOM 0 HG13 VAL A 28 48.017 -19.796 -6.072 1.00 1.12 H new ATOM 0 HG21 VAL A 28 50.736 -21.263 -5.969 1.00 61.10 H new ATOM 0 HG22 VAL A 28 49.178 -22.082 -5.701 1.00 61.10 H new ATOM 0 HG23 VAL A 28 50.291 -22.676 -6.956 1.00 61.10 H new ATOM 368 N ARG A 29 49.065 -22.854 -9.908 1.00 35.24 N ATOM 369 CA ARG A 29 49.581 -24.026 -10.548 1.00 74.24 C ATOM 370 C ARG A 29 51.080 -24.028 -10.387 1.00 40.32 C ATOM 371 O ARG A 29 51.769 -23.241 -11.044 1.00 20.51 O ATOM 372 CB ARG A 29 49.231 -24.013 -12.026 1.00 11.01 C ATOM 373 CG ARG A 29 47.744 -23.981 -12.333 1.00 63.52 C ATOM 374 CD ARG A 29 47.042 -25.201 -11.786 1.00 40.33 C ATOM 375 NE ARG A 29 47.600 -26.451 -12.323 1.00 65.21 N ATOM 376 CZ ARG A 29 47.123 -27.675 -12.076 1.00 15.23 C ATOM 377 NH1 ARG A 29 46.009 -27.831 -11.358 1.00 52.24 N ATOM 378 NH2 ARG A 29 47.746 -28.742 -12.572 1.00 32.15 N ATOM 0 H ARG A 29 49.191 -21.997 -10.447 1.00 35.24 H new ATOM 0 HA ARG A 29 49.146 -24.917 -10.096 1.00 74.24 H new ATOM 0 HB2 ARG A 29 49.701 -23.144 -12.488 1.00 11.01 H new ATOM 0 HB3 ARG A 29 49.665 -24.897 -12.494 1.00 11.01 H new ATOM 0 HG2 ARG A 29 47.302 -23.082 -11.904 1.00 63.52 H new ATOM 0 HG3 ARG A 29 47.595 -23.926 -13.411 1.00 63.52 H new ATOM 0 HD2 ARG A 29 47.122 -25.207 -10.699 1.00 40.33 H new ATOM 0 HD3 ARG A 29 45.980 -25.146 -12.027 1.00 40.33 H new ATOM 0 HE ARG A 29 48.415 -26.378 -12.932 1.00 65.21 H new ATOM 0 HH11 ARG A 29 45.518 -27.014 -10.995 1.00 52.24 H new ATOM 0 HH12 ARG A 29 45.649 -28.767 -11.172 1.00 52.24 H new ATOM 0 HH21 ARG A 29 48.586 -28.624 -13.139 1.00 32.15 H new ATOM 0 HH22 ARG A 29 47.384 -29.677 -12.385 1.00 32.15 H new ATOM 392 N PRO A 30 51.610 -24.849 -9.485 1.00 1.41 N ATOM 393 CA PRO A 30 53.032 -24.893 -9.231 1.00 43.14 C ATOM 394 C PRO A 30 53.798 -25.581 -10.351 1.00 24.23 C ATOM 395 O PRO A 30 53.526 -26.744 -10.686 1.00 23.12 O ATOM 396 CB PRO A 30 53.160 -25.711 -7.928 1.00 54.02 C ATOM 397 CG PRO A 30 51.762 -25.912 -7.434 1.00 53.23 C ATOM 398 CD PRO A 30 50.879 -25.807 -8.638 1.00 55.33 C ATOM 0 HA PRO A 30 53.451 -23.889 -9.159 1.00 43.14 H new ATOM 0 HB2 PRO A 30 53.651 -26.667 -8.113 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.763 -25.181 -7.191 1.00 54.02 H new ATOM 0 HG2 PRO A 30 51.654 -26.885 -6.955 1.00 53.23 H new ATOM 0 HG3 PRO A 30 51.499 -25.159 -6.691 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.750 -26.770 -9.132 1.00 55.33 H new ATOM 0 HD3 PRO A 30 49.884 -25.445 -8.381 1.00 55.33 H new ATOM 406 N LYS A 31 54.714 -24.852 -10.957 1.00 71.41 N ATOM 407 CA LYS A 31 55.624 -25.418 -11.940 1.00 13.12 C ATOM 408 C LYS A 31 56.593 -26.364 -11.199 1.00 60.43 C ATOM 409 O LYS A 31 56.714 -26.256 -9.974 1.00 12.54 O ATOM 410 CB LYS A 31 56.401 -24.278 -12.647 1.00 45.42 C ATOM 411 CG LYS A 31 55.521 -23.340 -13.466 1.00 33.03 C ATOM 412 CD LYS A 31 56.343 -22.268 -14.174 1.00 44.22 C ATOM 413 CE LYS A 31 55.458 -21.356 -15.020 1.00 72.11 C ATOM 414 NZ LYS A 31 56.232 -20.320 -15.740 1.00 53.45 N ATOM 0 H LYS A 31 54.850 -23.856 -10.785 1.00 71.41 H new ATOM 0 HA LYS A 31 55.077 -25.974 -12.701 1.00 13.12 H new ATOM 0 HB2 LYS A 31 56.934 -23.695 -11.895 1.00 45.42 H new ATOM 0 HB3 LYS A 31 57.153 -24.717 -13.302 1.00 45.42 H new ATOM 0 HG2 LYS A 31 54.963 -23.917 -14.204 1.00 33.03 H new ATOM 0 HG3 LYS A 31 54.789 -22.865 -12.813 1.00 33.03 H new ATOM 0 HD2 LYS A 31 56.881 -21.673 -13.436 1.00 44.22 H new ATOM 0 HD3 LYS A 31 57.092 -22.742 -14.809 1.00 44.22 H new ATOM 0 HE2 LYS A 31 54.906 -21.959 -15.741 1.00 72.11 H new ATOM 0 HE3 LYS A 31 54.721 -20.873 -14.378 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 55.584 -19.728 -16.299 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 56.739 -19.725 -15.053 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 56.918 -20.777 -16.374 1.00 53.45 H new ATOM 428 N PRO A 32 57.304 -27.289 -11.899 1.00 4.31 N ATOM 429 CA PRO A 32 58.247 -28.258 -11.259 1.00 5.12 C ATOM 430 C PRO A 32 59.282 -27.567 -10.358 1.00 74.20 C ATOM 431 O PRO A 32 59.723 -28.110 -9.350 1.00 50.13 O ATOM 432 CB PRO A 32 58.945 -28.918 -12.465 1.00 54.05 C ATOM 433 CG PRO A 32 58.655 -28.007 -13.607 1.00 52.24 C ATOM 434 CD PRO A 32 57.269 -27.503 -13.355 1.00 71.25 C ATOM 0 HA PRO A 32 57.728 -28.959 -10.606 1.00 5.12 H new ATOM 0 HB2 PRO A 32 60.018 -29.016 -12.298 1.00 54.05 H new ATOM 0 HB3 PRO A 32 58.558 -29.920 -12.648 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.372 -27.187 -13.650 1.00 52.24 H new ATOM 0 HG3 PRO A 32 58.717 -28.535 -14.559 1.00 52.24 H new ATOM 0 HD2 PRO A 32 57.060 -26.583 -13.901 1.00 71.25 H new ATOM 0 HD3 PRO A 32 56.508 -28.227 -13.647 1.00 71.25 H new ATOM 442 N LEU A 33 59.621 -26.352 -10.722 1.00 43.22 N ATOM 443 CA LEU A 33 60.568 -25.545 -9.984 1.00 61.34 C ATOM 444 C LEU A 33 59.978 -25.147 -8.619 1.00 33.42 C ATOM 445 O LEU A 33 60.651 -25.180 -7.583 1.00 21.42 O ATOM 446 CB LEU A 33 60.917 -24.314 -10.816 1.00 61.22 C ATOM 447 CG LEU A 33 61.464 -24.619 -12.219 1.00 51.04 C ATOM 448 CD1 LEU A 33 61.654 -23.357 -13.016 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.768 -25.383 -12.130 1.00 21.44 C ATOM 0 H LEU A 33 59.243 -25.890 -11.549 1.00 43.22 H new ATOM 0 HA LEU A 33 61.477 -26.115 -9.795 1.00 61.34 H new ATOM 0 HB2 LEU A 33 60.025 -23.695 -10.916 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.656 -23.724 -10.274 1.00 61.22 H new ATOM 0 HG LEU A 33 60.729 -25.239 -12.733 1.00 51.04 H new ATOM 0 HD11 LEU A 33 62.042 -23.605 -14.004 1.00 51.51 H new ATOM 0 HD12 LEU A 33 60.697 -22.845 -13.120 1.00 51.51 H new ATOM 0 HD13 LEU A 33 62.360 -22.705 -12.502 1.00 51.51 H new ATOM 0 HD21 LEU A 33 63.138 -25.589 -13.134 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.502 -24.788 -11.587 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.604 -26.323 -11.604 1.00 21.44 H new ATOM 461 N LEU A 34 58.703 -24.830 -8.620 1.00 3.45 N ATOM 462 CA LEU A 34 58.016 -24.468 -7.402 1.00 64.14 C ATOM 463 C LEU A 34 57.722 -25.699 -6.612 1.00 22.24 C ATOM 464 O LEU A 34 57.831 -25.701 -5.404 1.00 75.12 O ATOM 465 CB LEU A 34 56.722 -23.677 -7.667 1.00 35.35 C ATOM 466 CG LEU A 34 56.876 -22.180 -7.967 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.715 -21.934 -9.209 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.509 -21.530 -8.108 1.00 52.54 C ATOM 0 H LEU A 34 58.119 -24.816 -9.456 1.00 3.45 H new ATOM 0 HA LEU A 34 58.674 -23.810 -6.833 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.206 -24.141 -8.508 1.00 35.35 H new ATOM 0 HB3 LEU A 34 56.074 -23.784 -6.797 1.00 35.35 H new ATOM 0 HG LEU A 34 57.402 -21.726 -7.127 1.00 62.21 H new ATOM 0 HD11 LEU A 34 57.799 -20.862 -9.385 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.709 -22.357 -9.066 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.240 -22.407 -10.069 1.00 72.03 H new ATOM 0 HD21 LEU A 34 55.631 -20.468 -8.321 1.00 52.54 H new ATOM 0 HD22 LEU A 34 54.964 -22.003 -8.925 1.00 52.54 H new ATOM 0 HD23 LEU A 34 54.951 -21.652 -7.180 1.00 52.54 H new ATOM 480 N LEU A 35 57.399 -26.763 -7.310 1.00 65.12 N ATOM 481 CA LEU A 35 57.104 -28.016 -6.680 1.00 5.32 C ATOM 482 C LEU A 35 58.332 -28.546 -5.932 1.00 54.41 C ATOM 483 O LEU A 35 58.192 -29.158 -4.865 1.00 53.44 O ATOM 484 CB LEU A 35 56.591 -29.024 -7.701 1.00 2.42 C ATOM 485 CG LEU A 35 56.005 -30.315 -7.124 1.00 12.12 C ATOM 486 CD1 LEU A 35 54.854 -30.002 -6.173 1.00 24.24 C ATOM 487 CD2 LEU A 35 55.513 -31.191 -8.238 1.00 71.40 C ATOM 0 H LEU A 35 57.335 -26.778 -8.328 1.00 65.12 H new ATOM 0 HA LEU A 35 56.313 -27.859 -5.947 1.00 5.32 H new ATOM 0 HB2 LEU A 35 55.827 -28.540 -8.309 1.00 2.42 H new ATOM 0 HB3 LEU A 35 57.411 -29.286 -8.369 1.00 2.42 H new ATOM 0 HG LEU A 35 56.787 -30.834 -6.570 1.00 12.12 H new ATOM 0 HD11 LEU A 35 54.450 -30.932 -5.773 1.00 24.24 H new ATOM 0 HD12 LEU A 35 55.217 -29.382 -5.354 1.00 24.24 H new ATOM 0 HD13 LEU A 35 54.071 -29.469 -6.712 1.00 24.24 H new ATOM 0 HD21 LEU A 35 55.097 -32.109 -7.822 1.00 71.40 H new ATOM 0 HD22 LEU A 35 54.742 -30.665 -8.801 1.00 71.40 H new ATOM 0 HD23 LEU A 35 56.342 -31.437 -8.901 1.00 71.40 H new ATOM 499 N LYS A 36 59.540 -28.265 -6.461 1.00 42.34 N ATOM 500 CA LYS A 36 60.756 -28.680 -5.783 1.00 34.14 C ATOM 501 C LYS A 36 60.876 -27.911 -4.460 1.00 62.12 C ATOM 502 O LYS A 36 61.176 -28.501 -3.423 1.00 31.42 O ATOM 503 CB LYS A 36 62.058 -28.490 -6.651 1.00 22.41 C ATOM 504 CG LYS A 36 62.748 -27.115 -6.541 1.00 43.13 C ATOM 505 CD LYS A 36 63.998 -27.007 -7.403 1.00 75.31 C ATOM 506 CE LYS A 36 64.774 -25.706 -7.125 1.00 21.21 C ATOM 507 NZ LYS A 36 65.436 -25.693 -5.784 1.00 23.02 N ATOM 0 H LYS A 36 59.685 -27.763 -7.337 1.00 42.34 H new ATOM 0 HA LYS A 36 60.677 -29.751 -5.599 1.00 34.14 H new ATOM 0 HB2 LYS A 36 62.776 -29.259 -6.366 1.00 22.41 H new ATOM 0 HB3 LYS A 36 61.803 -28.664 -7.696 1.00 22.41 H new ATOM 0 HG2 LYS A 36 62.043 -26.336 -6.833 1.00 43.13 H new ATOM 0 HG3 LYS A 36 63.014 -26.930 -5.500 1.00 43.13 H new ATOM 0 HD2 LYS A 36 64.645 -27.864 -7.214 1.00 75.31 H new ATOM 0 HD3 LYS A 36 63.718 -27.045 -8.456 1.00 75.31 H new ATOM 0 HE2 LYS A 36 65.530 -25.569 -7.898 1.00 21.21 H new ATOM 0 HE3 LYS A 36 64.090 -24.860 -7.194 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 66.348 -25.198 -5.852 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 64.825 -25.202 -5.100 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 65.596 -26.670 -5.466 1.00 23.02 H new ATOM 521 N LEU A 37 60.572 -26.601 -4.489 1.00 21.34 N ATOM 522 CA LEU A 37 60.702 -25.783 -3.296 1.00 4.13 C ATOM 523 C LEU A 37 59.637 -26.153 -2.274 1.00 55.22 C ATOM 524 O LEU A 37 59.917 -26.275 -1.079 1.00 44.31 O ATOM 525 CB LEU A 37 60.736 -24.251 -3.634 1.00 20.40 C ATOM 526 CG LEU A 37 59.449 -23.507 -4.068 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.566 -23.139 -2.869 1.00 0.31 C ATOM 528 CD2 LEU A 37 59.804 -22.264 -4.869 1.00 24.22 C ATOM 0 H LEU A 37 60.241 -26.104 -5.316 1.00 21.34 H new ATOM 0 HA LEU A 37 61.667 -25.997 -2.837 1.00 4.13 H new ATOM 0 HB2 LEU A 37 61.122 -23.737 -2.754 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.469 -24.114 -4.429 1.00 20.40 H new ATOM 0 HG LEU A 37 58.874 -24.186 -4.698 1.00 70.33 H new ATOM 0 HD11 LEU A 37 57.675 -22.619 -3.220 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.273 -24.046 -2.341 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.122 -22.490 -2.193 1.00 0.31 H new ATOM 0 HD21 LEU A 37 58.890 -21.750 -5.168 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.411 -21.597 -4.256 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.366 -22.552 -5.758 1.00 24.22 H new ATOM 540 N LEU A 38 58.441 -26.392 -2.766 1.00 2.01 N ATOM 541 CA LEU A 38 57.315 -26.760 -1.947 1.00 62.52 C ATOM 542 C LEU A 38 57.565 -28.105 -1.268 1.00 61.11 C ATOM 543 O LEU A 38 57.387 -28.255 -0.063 1.00 21.21 O ATOM 544 CB LEU A 38 56.035 -26.808 -2.801 1.00 42.14 C ATOM 545 CG LEU A 38 55.575 -25.483 -3.430 1.00 23.53 C ATOM 546 CD1 LEU A 38 54.403 -25.709 -4.361 1.00 63.33 C ATOM 547 CD2 LEU A 38 55.201 -24.468 -2.362 1.00 34.23 C ATOM 0 H LEU A 38 58.224 -26.334 -3.761 1.00 2.01 H new ATOM 0 HA LEU A 38 57.184 -26.008 -1.169 1.00 62.52 H new ATOM 0 HB2 LEU A 38 56.188 -27.530 -3.603 1.00 42.14 H new ATOM 0 HB3 LEU A 38 55.225 -27.189 -2.179 1.00 42.14 H new ATOM 0 HG LEU A 38 56.411 -25.085 -4.006 1.00 23.53 H new ATOM 0 HD11 LEU A 38 54.094 -24.758 -4.795 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.698 -26.392 -5.157 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.572 -26.140 -3.802 1.00 63.33 H new ATOM 0 HD21 LEU A 38 54.880 -23.541 -2.837 1.00 34.23 H new ATOM 0 HD22 LEU A 38 54.389 -24.864 -1.753 1.00 34.23 H new ATOM 0 HD23 LEU A 38 56.066 -24.270 -1.729 1.00 34.23 H new ATOM 559 N LYS A 39 58.030 -29.071 -2.013 1.00 4.41 N ATOM 560 CA LYS A 39 58.257 -30.376 -1.447 1.00 72.50 C ATOM 561 C LYS A 39 59.518 -30.457 -0.627 1.00 71.11 C ATOM 562 O LYS A 39 59.730 -31.426 0.094 1.00 23.23 O ATOM 563 CB LYS A 39 58.130 -31.493 -2.457 1.00 34.33 C ATOM 564 CG LYS A 39 56.697 -31.730 -2.866 1.00 51.34 C ATOM 565 CD LYS A 39 56.563 -32.931 -3.767 1.00 50.31 C ATOM 566 CE LYS A 39 55.102 -33.260 -4.002 1.00 14.03 C ATOM 567 NZ LYS A 39 54.396 -33.580 -2.734 1.00 31.25 N ATOM 0 H LYS A 39 58.258 -28.983 -3.003 1.00 4.41 H new ATOM 0 HA LYS A 39 57.442 -30.531 -0.740 1.00 72.50 H new ATOM 0 HB2 LYS A 39 58.723 -31.252 -3.339 1.00 34.33 H new ATOM 0 HB3 LYS A 39 58.543 -32.410 -2.036 1.00 34.33 H new ATOM 0 HG2 LYS A 39 56.084 -31.873 -1.976 1.00 51.34 H new ATOM 0 HG3 LYS A 39 56.314 -30.847 -3.378 1.00 51.34 H new ATOM 0 HD2 LYS A 39 57.055 -32.735 -4.720 1.00 50.31 H new ATOM 0 HD3 LYS A 39 57.067 -33.787 -3.318 1.00 50.31 H new ATOM 0 HE2 LYS A 39 54.613 -32.415 -4.487 1.00 14.03 H new ATOM 0 HE3 LYS A 39 55.026 -34.107 -4.684 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 53.480 -34.024 -2.949 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 54.975 -34.235 -2.170 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 54.238 -32.705 -2.194 1.00 31.25 H new ATOM 581 N SER A 40 60.339 -29.433 -0.705 1.00 51.14 N ATOM 582 CA SER A 40 61.483 -29.355 0.156 1.00 42.10 C ATOM 583 C SER A 40 61.030 -29.066 1.598 1.00 14.45 C ATOM 584 O SER A 40 61.708 -29.440 2.551 1.00 42.43 O ATOM 585 CB SER A 40 62.504 -28.332 -0.347 1.00 12.23 C ATOM 586 OG SER A 40 63.060 -28.744 -1.600 1.00 61.15 O ATOM 0 H SER A 40 60.232 -28.652 -1.352 1.00 51.14 H new ATOM 0 HA SER A 40 61.993 -30.318 0.146 1.00 42.10 H new ATOM 0 HB2 SER A 40 62.026 -27.359 -0.458 1.00 12.23 H new ATOM 0 HB3 SER A 40 63.300 -28.214 0.388 1.00 12.23 H new ATOM 0 HG SER A 40 62.336 -28.943 -2.230 1.00 61.15 H new ATOM 592 N VAL A 41 59.863 -28.423 1.757 1.00 11.22 N ATOM 593 CA VAL A 41 59.319 -28.234 3.090 1.00 71.41 C ATOM 594 C VAL A 41 58.334 -29.361 3.438 1.00 64.32 C ATOM 595 O VAL A 41 58.095 -29.678 4.610 1.00 51.12 O ATOM 596 CB VAL A 41 58.713 -26.806 3.360 1.00 30.34 C ATOM 597 CG1 VAL A 41 57.518 -26.513 2.481 1.00 44.32 C ATOM 598 CG2 VAL A 41 58.351 -26.659 4.831 1.00 74.11 C ATOM 0 H VAL A 41 59.300 -28.039 0.998 1.00 11.22 H new ATOM 0 HA VAL A 41 60.170 -28.291 3.769 1.00 71.41 H new ATOM 0 HB VAL A 41 59.478 -26.073 3.106 1.00 30.34 H new ATOM 0 HG11 VAL A 41 57.137 -25.517 2.706 1.00 44.32 H new ATOM 0 HG12 VAL A 41 57.816 -26.560 1.434 1.00 44.32 H new ATOM 0 HG13 VAL A 41 56.738 -27.251 2.669 1.00 44.32 H new ATOM 0 HG21 VAL A 41 57.933 -25.668 5.006 1.00 74.11 H new ATOM 0 HG22 VAL A 41 57.615 -27.416 5.102 1.00 74.11 H new ATOM 0 HG23 VAL A 41 59.245 -26.788 5.440 1.00 74.11 H new ATOM 608 N GLY A 42 57.828 -30.007 2.427 1.00 13.41 N ATOM 609 CA GLY A 42 56.920 -31.100 2.644 1.00 34.34 C ATOM 610 C GLY A 42 55.519 -30.757 2.240 1.00 74.23 C ATOM 611 O GLY A 42 54.561 -31.076 2.950 1.00 22.34 O ATOM 0 H GLY A 42 58.026 -29.799 1.448 1.00 13.41 H new ATOM 0 HA2 GLY A 42 57.257 -31.969 2.079 1.00 34.34 H new ATOM 0 HA3 GLY A 42 56.935 -31.380 3.697 1.00 34.34 H new ATOM 615 N ALA A 43 55.404 -30.062 1.133 1.00 52.43 N ATOM 616 CA ALA A 43 54.100 -29.726 0.553 1.00 31.35 C ATOM 617 C ALA A 43 53.395 -30.986 0.057 1.00 13.11 C ATOM 618 O ALA A 43 53.986 -31.792 -0.681 1.00 2.23 O ATOM 619 CB ALA A 43 54.283 -28.775 -0.594 1.00 2.41 C ATOM 0 H ALA A 43 56.200 -29.709 0.602 1.00 52.43 H new ATOM 0 HA ALA A 43 53.489 -29.258 1.324 1.00 31.35 H new ATOM 0 HB1 ALA A 43 53.311 -28.529 -1.021 1.00 2.41 H new ATOM 0 HB2 ALA A 43 54.764 -27.864 -0.238 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.907 -29.241 -1.357 1.00 2.41 H new ATOM 625 N GLN A 44 52.138 -31.146 0.434 1.00 11.11 N ATOM 626 CA GLN A 44 51.382 -32.347 0.099 1.00 14.10 C ATOM 627 C GLN A 44 50.118 -32.044 -0.695 1.00 41.31 C ATOM 628 O GLN A 44 49.320 -32.939 -0.985 1.00 14.35 O ATOM 629 CB GLN A 44 51.036 -33.102 1.367 1.00 34.11 C ATOM 630 CG GLN A 44 52.260 -33.530 2.118 1.00 12.52 C ATOM 631 CD GLN A 44 51.949 -34.275 3.388 1.00 43.54 C ATOM 632 OE1 GLN A 44 51.800 -35.501 3.391 1.00 52.22 O ATOM 633 NE2 GLN A 44 51.878 -33.566 4.477 1.00 5.12 N ATOM 0 H GLN A 44 51.615 -30.457 0.975 1.00 11.11 H new ATOM 0 HA GLN A 44 52.015 -32.962 -0.540 1.00 14.10 H new ATOM 0 HB2 GLN A 44 50.420 -32.471 2.008 1.00 34.11 H new ATOM 0 HB3 GLN A 44 50.440 -33.979 1.115 1.00 34.11 H new ATOM 0 HG2 GLN A 44 52.870 -34.163 1.474 1.00 12.52 H new ATOM 0 HG3 GLN A 44 52.857 -32.650 2.358 1.00 12.52 H new ATOM 0 HE21 GLN A 44 52.006 -32.555 4.437 1.00 5.12 H new ATOM 0 HE22 GLN A 44 51.694 -34.021 5.371 1.00 5.12 H new ATOM 642 N LYS A 45 49.930 -30.812 -1.046 1.00 34.22 N ATOM 643 CA LYS A 45 48.776 -30.424 -1.832 1.00 1.22 C ATOM 644 C LYS A 45 49.208 -30.165 -3.260 1.00 34.45 C ATOM 645 O LYS A 45 50.389 -29.920 -3.520 1.00 73.42 O ATOM 646 CB LYS A 45 48.071 -29.198 -1.237 1.00 41.14 C ATOM 647 CG LYS A 45 47.415 -29.444 0.123 1.00 41.43 C ATOM 648 CD LYS A 45 46.857 -28.156 0.745 1.00 52.41 C ATOM 649 CE LYS A 45 45.837 -27.467 -0.155 1.00 2.42 C ATOM 650 NZ LYS A 45 45.275 -26.250 0.465 1.00 21.35 N ATOM 0 H LYS A 45 50.558 -30.045 -0.805 1.00 34.22 H new ATOM 0 HA LYS A 45 48.053 -31.240 -1.817 1.00 1.22 H new ATOM 0 HB2 LYS A 45 48.796 -28.391 -1.136 1.00 41.14 H new ATOM 0 HB3 LYS A 45 47.309 -28.857 -1.938 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.608 -30.168 0.009 1.00 41.43 H new ATOM 0 HG3 LYS A 45 48.145 -29.885 0.801 1.00 41.43 H new ATOM 0 HD2 LYS A 45 46.392 -28.391 1.702 1.00 52.41 H new ATOM 0 HD3 LYS A 45 47.679 -27.470 0.949 1.00 52.41 H new ATOM 0 HE2 LYS A 45 46.309 -27.205 -1.102 1.00 2.42 H new ATOM 0 HE3 LYS A 45 45.029 -28.162 -0.384 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 45.083 -25.542 -0.272 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 44.390 -26.488 0.956 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 45.956 -25.862 1.148 1.00 21.35 H new ATOM 664 N ASP A 46 48.281 -30.258 -4.177 1.00 71.23 N ATOM 665 CA ASP A 46 48.575 -30.063 -5.599 1.00 33.11 C ATOM 666 C ASP A 46 48.232 -28.657 -6.015 1.00 43.41 C ATOM 667 O ASP A 46 48.509 -28.237 -7.138 1.00 45.42 O ATOM 668 CB ASP A 46 47.794 -31.046 -6.466 1.00 22.43 C ATOM 669 CG ASP A 46 48.127 -32.480 -6.207 1.00 54.13 C ATOM 670 OD1 ASP A 46 49.055 -33.014 -6.850 1.00 45.24 O ATOM 671 OD2 ASP A 46 47.455 -33.117 -5.356 1.00 72.22 O ATOM 0 H ASP A 46 47.303 -30.469 -3.976 1.00 71.23 H new ATOM 0 HA ASP A 46 49.641 -30.240 -5.742 1.00 33.11 H new ATOM 0 HB2 ASP A 46 46.728 -30.895 -6.299 1.00 22.43 H new ATOM 0 HB3 ASP A 46 47.987 -30.822 -7.515 1.00 22.43 H new ATOM 676 N THR A 47 47.593 -27.946 -5.123 1.00 73.34 N ATOM 677 CA THR A 47 47.230 -26.576 -5.325 1.00 64.41 C ATOM 678 C THR A 47 47.336 -25.848 -4.021 1.00 71.43 C ATOM 679 O THR A 47 47.177 -26.454 -2.952 1.00 40.44 O ATOM 680 CB THR A 47 45.805 -26.416 -5.885 1.00 20.33 C ATOM 681 OG1 THR A 47 44.923 -27.368 -5.275 1.00 44.41 O ATOM 682 CG2 THR A 47 45.765 -26.538 -7.401 1.00 54.35 C ATOM 0 H THR A 47 47.306 -28.316 -4.217 1.00 73.34 H new ATOM 0 HA THR A 47 47.915 -26.158 -6.063 1.00 64.41 H new ATOM 0 HB THR A 47 45.467 -25.409 -5.639 1.00 20.33 H new ATOM 0 HG1 THR A 47 45.194 -27.515 -4.345 1.00 44.41 H new ATOM 0 HG21 THR A 47 44.739 -26.418 -7.749 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.391 -25.764 -7.845 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.136 -27.519 -7.697 1.00 54.35 H new ATOM 690 N TYR A 48 47.632 -24.589 -4.097 1.00 21.32 N ATOM 691 CA TYR A 48 47.780 -23.766 -2.937 1.00 72.11 C ATOM 692 C TYR A 48 47.233 -22.405 -3.217 1.00 63.32 C ATOM 693 O TYR A 48 47.206 -21.973 -4.383 1.00 44.22 O ATOM 694 CB TYR A 48 49.256 -23.660 -2.531 1.00 30.34 C ATOM 695 CG TYR A 48 49.810 -24.911 -1.892 1.00 40.51 C ATOM 696 CD1 TYR A 48 49.484 -25.216 -0.589 1.00 21.34 C ATOM 697 CD2 TYR A 48 50.632 -25.790 -2.587 1.00 63.43 C ATOM 698 CE1 TYR A 48 49.951 -26.340 0.020 1.00 2.02 C ATOM 699 CE2 TYR A 48 51.106 -26.937 -1.977 1.00 12.51 C ATOM 700 CZ TYR A 48 50.756 -27.200 -0.667 1.00 2.34 C ATOM 701 OH TYR A 48 51.205 -28.333 -0.041 1.00 72.12 O ATOM 0 H TYR A 48 47.780 -24.097 -4.978 1.00 21.32 H new ATOM 0 HA TYR A 48 47.228 -24.220 -2.114 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.849 -23.423 -3.414 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.372 -22.828 -1.837 1.00 30.34 H new ATOM 0 HD1 TYR A 48 48.842 -24.546 -0.037 1.00 21.34 H new ATOM 0 HD2 TYR A 48 50.902 -25.576 -3.610 1.00 63.43 H new ATOM 0 HE1 TYR A 48 49.685 -26.550 1.045 1.00 2.02 H new ATOM 0 HE2 TYR A 48 51.743 -27.620 -2.519 1.00 12.51 H new ATOM 0 HH TYR A 48 50.546 -28.622 0.624 1.00 72.12 H new ATOM 711 N THR A 49 46.765 -21.753 -2.187 1.00 4.35 N ATOM 712 CA THR A 49 46.310 -20.405 -2.289 1.00 1.34 C ATOM 713 C THR A 49 47.512 -19.497 -2.092 1.00 15.00 C ATOM 714 O THR A 49 48.591 -19.987 -1.761 1.00 52.25 O ATOM 715 CB THR A 49 45.235 -20.132 -1.230 1.00 51.02 C ATOM 716 OG1 THR A 49 45.689 -20.590 0.051 1.00 64.22 O ATOM 717 CG2 THR A 49 43.945 -20.835 -1.584 1.00 61.52 C ATOM 0 H THR A 49 46.691 -22.150 -1.250 1.00 4.35 H new ATOM 0 HA THR A 49 45.862 -20.220 -3.265 1.00 1.34 H new ATOM 0 HB THR A 49 45.052 -19.058 -1.195 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.454 -21.535 0.163 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.196 -20.628 -0.820 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.588 -20.475 -2.549 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.120 -21.910 -1.639 1.00 61.52 H new ATOM 725 N MET A 50 47.356 -18.205 -2.256 1.00 21.14 N ATOM 726 CA MET A 50 48.476 -17.316 -2.149 1.00 1.43 C ATOM 727 C MET A 50 48.994 -17.217 -0.735 1.00 72.53 C ATOM 728 O MET A 50 50.202 -17.108 -0.528 1.00 74.21 O ATOM 729 CB MET A 50 48.176 -15.971 -2.739 1.00 22.31 C ATOM 730 CG MET A 50 47.911 -16.031 -4.232 1.00 4.50 C ATOM 731 SD MET A 50 48.285 -14.491 -5.065 1.00 33.11 S ATOM 732 CE MET A 50 50.035 -14.419 -4.685 1.00 73.31 C ATOM 0 H MET A 50 46.466 -17.752 -2.463 1.00 21.14 H new ATOM 0 HA MET A 50 49.282 -17.749 -2.741 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.308 -15.544 -2.237 1.00 22.31 H new ATOM 0 HB3 MET A 50 49.015 -15.301 -2.550 1.00 22.31 H new ATOM 0 HG2 MET A 50 48.508 -16.830 -4.671 1.00 4.50 H new ATOM 0 HG3 MET A 50 46.865 -16.285 -4.401 1.00 4.50 H new ATOM 0 HE1 MET A 50 50.586 -14.092 -5.567 1.00 73.31 H new ATOM 0 HE2 MET A 50 50.202 -13.714 -3.871 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.383 -15.408 -4.386 1.00 73.31 H new ATOM 742 N LYS A 51 48.089 -17.289 0.227 1.00 14.32 N ATOM 743 CA LYS A 51 48.453 -17.381 1.649 1.00 64.44 C ATOM 744 C LYS A 51 49.339 -18.591 1.880 1.00 30.11 C ATOM 745 O LYS A 51 50.303 -18.551 2.628 1.00 14.04 O ATOM 746 CB LYS A 51 47.206 -17.526 2.522 1.00 41.10 C ATOM 747 CG LYS A 51 46.375 -16.265 2.656 1.00 73.21 C ATOM 748 CD LYS A 51 45.171 -16.491 3.563 1.00 42.42 C ATOM 749 CE LYS A 51 44.391 -15.208 3.788 1.00 70.32 C ATOM 750 NZ LYS A 51 45.144 -14.219 4.587 1.00 25.31 N ATOM 0 H LYS A 51 47.084 -17.286 0.055 1.00 14.32 H new ATOM 0 HA LYS A 51 48.981 -16.466 1.918 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.579 -18.315 2.108 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.511 -17.851 3.517 1.00 41.10 H new ATOM 0 HG2 LYS A 51 46.991 -15.461 3.059 1.00 73.21 H new ATOM 0 HG3 LYS A 51 46.036 -15.943 1.671 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.517 -17.242 3.120 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.506 -16.886 4.522 1.00 42.42 H new ATOM 0 HE2 LYS A 51 44.133 -14.770 2.824 1.00 70.32 H new ATOM 0 HE3 LYS A 51 43.454 -15.441 4.294 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 44.604 -13.332 4.640 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 45.295 -14.591 5.547 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 46.064 -14.037 4.137 1.00 25.31 H new ATOM 764 N GLU A 52 49.025 -19.650 1.187 1.00 55.54 N ATOM 765 CA GLU A 52 49.758 -20.884 1.308 1.00 75.23 C ATOM 766 C GLU A 52 51.078 -20.816 0.569 1.00 14.34 C ATOM 767 O GLU A 52 52.016 -21.519 0.919 1.00 34.14 O ATOM 768 CB GLU A 52 48.938 -22.064 0.848 1.00 51.14 C ATOM 769 CG GLU A 52 47.729 -22.350 1.711 1.00 60.21 C ATOM 770 CD GLU A 52 46.891 -23.460 1.150 1.00 40.45 C ATOM 771 OE1 GLU A 52 46.059 -23.192 0.248 1.00 4.25 O ATOM 772 OE2 GLU A 52 47.033 -24.614 1.585 1.00 34.40 O ATOM 0 H GLU A 52 48.253 -19.684 0.521 1.00 55.54 H new ATOM 0 HA GLU A 52 49.976 -21.028 2.366 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.607 -21.886 -0.175 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.574 -22.949 0.828 1.00 51.14 H new ATOM 0 HG2 GLU A 52 48.055 -22.614 2.717 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.124 -21.447 1.799 1.00 60.21 H new ATOM 779 N VAL A 53 51.170 -19.962 -0.447 1.00 43.32 N ATOM 780 CA VAL A 53 52.436 -19.765 -1.116 1.00 51.12 C ATOM 781 C VAL A 53 53.311 -19.002 -0.174 1.00 21.10 C ATOM 782 O VAL A 53 54.410 -19.384 0.056 1.00 11.23 O ATOM 783 CB VAL A 53 52.302 -18.989 -2.437 1.00 30.31 C ATOM 784 CG1 VAL A 53 53.637 -18.907 -3.155 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.261 -19.616 -3.328 1.00 10.42 C ATOM 0 H VAL A 53 50.395 -19.409 -0.814 1.00 43.32 H new ATOM 0 HA VAL A 53 52.854 -20.738 -1.375 1.00 51.12 H new ATOM 0 HB VAL A 53 51.980 -17.976 -2.197 1.00 30.31 H new ATOM 0 HG11 VAL A 53 53.516 -18.354 -4.086 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.361 -18.395 -2.520 1.00 1.34 H new ATOM 0 HG13 VAL A 53 53.994 -19.913 -3.375 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.186 -19.048 -4.255 1.00 10.42 H new ATOM 0 HG22 VAL A 53 51.546 -20.643 -3.554 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.296 -19.611 -2.820 1.00 10.42 H new ATOM 795 N LEU A 54 52.772 -17.948 0.417 1.00 70.30 N ATOM 796 CA LEU A 54 53.492 -17.187 1.434 1.00 2.43 C ATOM 797 C LEU A 54 53.948 -18.134 2.528 1.00 14.03 C ATOM 798 O LEU A 54 55.084 -18.105 2.950 1.00 21.52 O ATOM 799 CB LEU A 54 52.614 -16.092 2.064 1.00 11.33 C ATOM 800 CG LEU A 54 52.005 -15.052 1.128 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.293 -13.975 1.911 1.00 70.35 C ATOM 802 CD2 LEU A 54 53.042 -14.477 0.181 1.00 72.44 C ATOM 0 H LEU A 54 51.837 -17.597 0.212 1.00 70.30 H new ATOM 0 HA LEU A 54 54.342 -16.704 0.951 1.00 2.43 H new ATOM 0 HB2 LEU A 54 51.800 -16.580 2.599 1.00 11.33 H new ATOM 0 HB3 LEU A 54 53.214 -15.566 2.807 1.00 11.33 H new ATOM 0 HG LEU A 54 51.260 -15.552 0.509 1.00 21.01 H new ATOM 0 HD11 LEU A 54 50.867 -13.245 1.222 1.00 70.35 H new ATOM 0 HD12 LEU A 54 50.495 -14.423 2.504 1.00 70.35 H new ATOM 0 HD13 LEU A 54 52.002 -13.478 2.573 1.00 70.35 H new ATOM 0 HD21 LEU A 54 52.571 -13.740 -0.470 1.00 72.44 H new ATOM 0 HD22 LEU A 54 53.835 -13.999 0.756 1.00 72.44 H new ATOM 0 HD23 LEU A 54 53.466 -15.278 -0.425 1.00 72.44 H new ATOM 814 N PHE A 55 53.075 -19.024 2.907 1.00 3.44 N ATOM 815 CA PHE A 55 53.385 -19.968 3.936 1.00 31.34 C ATOM 816 C PHE A 55 54.500 -20.926 3.478 1.00 34.30 C ATOM 817 O PHE A 55 55.591 -20.888 3.998 1.00 13.01 O ATOM 818 CB PHE A 55 52.127 -20.737 4.361 1.00 43.03 C ATOM 819 CG PHE A 55 52.318 -21.620 5.561 1.00 50.44 C ATOM 820 CD1 PHE A 55 52.218 -21.097 6.837 1.00 43.53 C ATOM 821 CD2 PHE A 55 52.596 -22.968 5.415 1.00 13.12 C ATOM 822 CE1 PHE A 55 52.392 -21.898 7.942 1.00 44.21 C ATOM 823 CE2 PHE A 55 52.771 -23.774 6.514 1.00 72.04 C ATOM 824 CZ PHE A 55 52.669 -23.240 7.781 1.00 42.14 C ATOM 0 H PHE A 55 52.138 -19.113 2.514 1.00 3.44 H new ATOM 0 HA PHE A 55 53.752 -19.423 4.806 1.00 31.34 H new ATOM 0 HB2 PHE A 55 51.333 -20.022 4.574 1.00 43.03 H new ATOM 0 HB3 PHE A 55 51.789 -21.349 3.524 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.001 -20.047 6.968 1.00 43.53 H new ATOM 0 HD2 PHE A 55 52.676 -23.392 4.425 1.00 13.12 H new ATOM 0 HE1 PHE A 55 52.312 -21.477 8.933 1.00 44.21 H new ATOM 0 HE2 PHE A 55 52.988 -24.824 6.386 1.00 72.04 H new ATOM 0 HZ PHE A 55 52.806 -23.871 8.646 1.00 42.14 H new ATOM 834 N TYR A 56 54.233 -21.721 2.473 1.00 63.30 N ATOM 835 CA TYR A 56 55.169 -22.755 2.027 1.00 1.22 C ATOM 836 C TYR A 56 56.420 -22.213 1.359 1.00 62.54 C ATOM 837 O TYR A 56 57.519 -22.711 1.622 1.00 21.03 O ATOM 838 CB TYR A 56 54.493 -23.778 1.124 1.00 51.34 C ATOM 839 CG TYR A 56 53.584 -24.723 1.847 1.00 64.03 C ATOM 840 CD1 TYR A 56 52.281 -24.382 2.137 1.00 1.33 C ATOM 841 CD2 TYR A 56 54.044 -25.958 2.245 1.00 33.42 C ATOM 842 CE1 TYR A 56 51.458 -25.246 2.813 1.00 50.53 C ATOM 843 CE2 TYR A 56 53.229 -26.841 2.922 1.00 32.12 C ATOM 844 CZ TYR A 56 51.934 -26.476 3.206 1.00 61.21 C ATOM 845 OH TYR A 56 51.111 -27.345 3.890 1.00 44.45 O ATOM 0 H TYR A 56 53.368 -21.681 1.934 1.00 63.30 H new ATOM 0 HA TYR A 56 55.495 -23.247 2.943 1.00 1.22 H new ATOM 0 HB2 TYR A 56 53.920 -23.251 0.361 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.260 -24.353 0.606 1.00 51.34 H new ATOM 0 HD1 TYR A 56 51.902 -23.419 1.827 1.00 1.33 H new ATOM 0 HD2 TYR A 56 55.062 -26.241 2.023 1.00 33.42 H new ATOM 0 HE1 TYR A 56 50.440 -24.962 3.036 1.00 50.53 H new ATOM 0 HE2 TYR A 56 53.603 -27.808 3.225 1.00 32.12 H new ATOM 0 HH TYR A 56 51.601 -28.169 4.092 1.00 44.45 H new ATOM 855 N LEU A 57 56.274 -21.192 0.520 1.00 33.41 N ATOM 856 CA LEU A 57 57.415 -20.634 -0.189 1.00 40.31 C ATOM 857 C LEU A 57 58.335 -19.994 0.842 1.00 40.54 C ATOM 858 O LEU A 57 59.558 -20.079 0.755 1.00 5.14 O ATOM 859 CB LEU A 57 56.941 -19.611 -1.267 1.00 53.03 C ATOM 860 CG LEU A 57 57.892 -19.292 -2.442 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.153 -18.547 -3.532 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.085 -18.469 -2.010 1.00 3.30 C ATOM 0 H LEU A 57 55.383 -20.739 0.317 1.00 33.41 H new ATOM 0 HA LEU A 57 57.960 -21.413 -0.722 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.006 -19.980 -1.687 1.00 53.03 H new ATOM 0 HB3 LEU A 57 56.714 -18.674 -0.759 1.00 53.03 H new ATOM 0 HG LEU A 57 58.255 -20.249 -2.817 1.00 24.54 H new ATOM 0 HD11 LEU A 57 57.837 -18.330 -4.352 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.330 -19.161 -3.899 1.00 53.32 H new ATOM 0 HD13 LEU A 57 56.759 -17.613 -3.131 1.00 53.32 H new ATOM 0 HD21 LEU A 57 59.722 -18.272 -2.872 1.00 3.30 H new ATOM 0 HD22 LEU A 57 58.742 -17.524 -1.589 1.00 3.30 H new ATOM 0 HD23 LEU A 57 59.652 -19.017 -1.258 1.00 3.30 H new ATOM 874 N GLY A 58 57.713 -19.443 1.868 1.00 34.05 N ATOM 875 CA GLY A 58 58.433 -18.809 2.938 1.00 74.30 C ATOM 876 C GLY A 58 59.249 -19.783 3.739 1.00 10.41 C ATOM 877 O GLY A 58 60.375 -19.468 4.123 1.00 32.52 O ATOM 0 H GLY A 58 56.699 -19.426 1.976 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.090 -18.043 2.526 1.00 74.30 H new ATOM 0 HA3 GLY A 58 57.727 -18.303 3.597 1.00 74.30 H new ATOM 881 N GLN A 59 58.719 -20.998 3.935 1.00 63.23 N ATOM 882 CA GLN A 59 59.399 -22.013 4.731 1.00 64.13 C ATOM 883 C GLN A 59 60.679 -22.380 4.046 1.00 12.12 C ATOM 884 O GLN A 59 61.712 -22.510 4.675 1.00 60.00 O ATOM 885 CB GLN A 59 58.561 -23.283 4.859 1.00 61.45 C ATOM 886 CG GLN A 59 57.132 -23.073 5.294 1.00 71.21 C ATOM 887 CD GLN A 59 56.996 -22.352 6.606 1.00 24.51 C ATOM 888 OE1 GLN A 59 57.831 -22.472 7.500 1.00 74.24 O ATOM 889 NE2 GLN A 59 55.981 -21.558 6.697 1.00 73.55 N ATOM 0 H GLN A 59 57.822 -21.296 3.551 1.00 63.23 H new ATOM 0 HA GLN A 59 59.572 -21.601 5.725 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.559 -23.795 3.897 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.047 -23.948 5.573 1.00 61.45 H new ATOM 0 HG2 GLN A 59 56.607 -22.508 4.524 1.00 71.21 H new ATOM 0 HG3 GLN A 59 56.639 -24.042 5.370 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.314 -21.492 5.928 1.00 73.55 H new ATOM 0 HE22 GLN A 59 55.846 -20.997 7.538 1.00 73.55 H new ATOM 898 N TYR A 60 60.589 -22.499 2.739 1.00 52.35 N ATOM 899 CA TYR A 60 61.698 -22.861 1.895 1.00 12.25 C ATOM 900 C TYR A 60 62.832 -21.842 1.998 1.00 54.12 C ATOM 901 O TYR A 60 64.005 -22.206 2.120 1.00 53.15 O ATOM 902 CB TYR A 60 61.208 -22.986 0.462 1.00 33.44 C ATOM 903 CG TYR A 60 62.272 -23.325 -0.539 1.00 22.14 C ATOM 904 CD1 TYR A 60 62.866 -24.575 -0.550 1.00 3.25 C ATOM 905 CD2 TYR A 60 62.657 -22.404 -1.496 1.00 22.44 C ATOM 906 CE1 TYR A 60 63.811 -24.897 -1.493 1.00 41.23 C ATOM 907 CE2 TYR A 60 63.608 -22.715 -2.438 1.00 63.13 C ATOM 908 CZ TYR A 60 64.180 -23.961 -2.434 1.00 64.01 C ATOM 909 OH TYR A 60 65.095 -24.290 -3.399 1.00 62.05 O ATOM 0 H TYR A 60 59.721 -22.342 2.226 1.00 52.35 H new ATOM 0 HA TYR A 60 62.100 -23.819 2.227 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.434 -23.753 0.423 1.00 33.44 H new ATOM 0 HB3 TYR A 60 60.740 -22.046 0.170 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.583 -25.306 0.192 1.00 3.25 H new ATOM 0 HD2 TYR A 60 62.203 -21.424 -1.503 1.00 22.44 H new ATOM 0 HE1 TYR A 60 64.262 -25.878 -1.497 1.00 41.23 H new ATOM 0 HE2 TYR A 60 63.903 -21.983 -3.176 1.00 63.13 H new ATOM 0 HH TYR A 60 65.070 -23.622 -4.115 1.00 62.05 H new ATOM 919 N ILE A 61 62.480 -20.578 2.004 1.00 22.33 N ATOM 920 CA ILE A 61 63.465 -19.525 2.077 1.00 54.32 C ATOM 921 C ILE A 61 64.065 -19.508 3.481 1.00 22.41 C ATOM 922 O ILE A 61 65.275 -19.315 3.656 1.00 45.34 O ATOM 923 CB ILE A 61 62.832 -18.145 1.783 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.059 -18.181 0.467 1.00 3.12 C ATOM 925 CG2 ILE A 61 63.915 -17.063 1.696 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.341 -16.887 0.133 1.00 12.42 C ATOM 0 H ILE A 61 61.514 -20.253 1.959 1.00 22.33 H new ATOM 0 HA ILE A 61 64.235 -19.717 1.329 1.00 54.32 H new ATOM 0 HB ILE A 61 62.149 -17.909 2.599 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.750 -18.419 -0.341 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.328 -18.989 0.510 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.450 -16.099 1.489 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.453 -17.010 2.642 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.612 -17.310 0.895 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.817 -16.996 -0.816 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.623 -16.656 0.920 1.00 12.42 H new ATOM 0 HD13 ILE A 61 62.067 -16.078 0.055 1.00 12.42 H new ATOM 938 N MET A 62 63.215 -19.750 4.474 1.00 72.44 N ATOM 939 CA MET A 62 63.631 -19.757 5.867 1.00 41.23 C ATOM 940 C MET A 62 64.545 -20.923 6.192 1.00 61.21 C ATOM 941 O MET A 62 65.586 -20.742 6.818 1.00 12.42 O ATOM 942 CB MET A 62 62.438 -19.770 6.830 1.00 32.32 C ATOM 943 CG MET A 62 61.609 -18.501 6.831 1.00 13.52 C ATOM 944 SD MET A 62 60.184 -18.573 7.946 1.00 44.31 S ATOM 945 CE MET A 62 60.995 -18.797 9.531 1.00 63.31 C ATOM 0 H MET A 62 62.224 -19.946 4.334 1.00 72.44 H new ATOM 0 HA MET A 62 64.186 -18.829 6.006 1.00 41.23 H new ATOM 0 HB2 MET A 62 61.792 -20.610 6.574 1.00 32.32 H new ATOM 0 HB3 MET A 62 62.806 -19.948 7.840 1.00 32.32 H new ATOM 0 HG2 MET A 62 62.243 -17.662 7.118 1.00 13.52 H new ATOM 0 HG3 MET A 62 61.258 -18.304 5.818 1.00 13.52 H new ATOM 0 HE1 MET A 62 60.297 -18.560 10.334 1.00 63.31 H new ATOM 0 HE2 MET A 62 61.323 -19.832 9.629 1.00 63.31 H new ATOM 0 HE3 MET A 62 61.859 -18.135 9.594 1.00 63.31 H new ATOM 955 N THR A 63 64.172 -22.097 5.731 1.00 24.30 N ATOM 956 CA THR A 63 64.885 -23.326 6.065 1.00 13.21 C ATOM 957 C THR A 63 66.286 -23.367 5.451 1.00 64.20 C ATOM 958 O THR A 63 67.234 -23.871 6.064 1.00 74.44 O ATOM 959 CB THR A 63 64.068 -24.613 5.689 1.00 32.20 C ATOM 960 OG1 THR A 63 64.752 -25.787 6.135 1.00 73.21 O ATOM 961 CG2 THR A 63 63.847 -24.739 4.191 1.00 71.34 C ATOM 0 H THR A 63 63.370 -22.234 5.116 1.00 24.30 H new ATOM 0 HA THR A 63 65.001 -23.320 7.149 1.00 13.21 H new ATOM 0 HB THR A 63 63.100 -24.518 6.182 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.230 -26.581 5.895 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.278 -25.645 3.982 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.294 -23.871 3.831 1.00 71.34 H new ATOM 0 HG23 THR A 63 64.811 -24.791 3.684 1.00 71.34 H new ATOM 969 N LYS A 64 66.422 -22.802 4.277 1.00 74.50 N ATOM 970 CA LYS A 64 67.694 -22.802 3.574 1.00 35.22 C ATOM 971 C LYS A 64 68.472 -21.565 3.948 1.00 24.12 C ATOM 972 O LYS A 64 69.691 -21.511 3.793 1.00 50.03 O ATOM 973 CB LYS A 64 67.451 -22.815 2.071 1.00 41.22 C ATOM 974 CG LYS A 64 66.630 -23.989 1.578 1.00 22.42 C ATOM 975 CD LYS A 64 67.337 -25.319 1.789 1.00 13.51 C ATOM 976 CE LYS A 64 66.438 -26.488 1.414 1.00 12.10 C ATOM 977 NZ LYS A 64 67.124 -27.785 1.580 1.00 42.24 N ATOM 0 H LYS A 64 65.666 -22.332 3.780 1.00 74.50 H new ATOM 0 HA LYS A 64 68.262 -23.690 3.853 1.00 35.22 H new ATOM 0 HB2 LYS A 64 66.946 -21.891 1.789 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.414 -22.821 1.560 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.672 -24.003 2.098 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.415 -23.859 0.517 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.246 -25.349 1.189 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.640 -25.411 2.832 1.00 13.51 H new ATOM 0 HE2 LYS A 64 65.541 -26.470 2.033 1.00 12.10 H new ATOM 0 HE3 LYS A 64 66.113 -26.379 0.379 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 66.478 -28.556 1.314 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 67.966 -27.813 0.970 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 67.412 -27.901 2.573 1.00 42.24 H new ATOM 991 N ARG A 65 67.735 -20.588 4.467 1.00 62.41 N ATOM 992 CA ARG A 65 68.255 -19.281 4.856 1.00 10.24 C ATOM 993 C ARG A 65 68.787 -18.545 3.642 1.00 55.32 C ATOM 994 O ARG A 65 69.865 -17.955 3.669 1.00 33.21 O ATOM 995 CB ARG A 65 69.312 -19.324 5.988 1.00 10.13 C ATOM 996 CG ARG A 65 68.819 -19.838 7.342 1.00 12.01 C ATOM 997 CD ARG A 65 68.915 -21.346 7.442 1.00 0.21 C ATOM 998 NE ARG A 65 70.318 -21.778 7.382 1.00 35.32 N ATOM 999 CZ ARG A 65 70.755 -23.004 7.097 1.00 62.31 C ATOM 1000 NH1 ARG A 65 69.901 -23.969 6.778 1.00 53.35 N ATOM 1001 NH2 ARG A 65 72.057 -23.255 7.101 1.00 23.34 N ATOM 0 H ARG A 65 66.733 -20.686 4.633 1.00 62.41 H new ATOM 0 HA ARG A 65 67.410 -18.735 5.276 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.140 -19.953 5.662 1.00 10.13 H new ATOM 0 HB3 ARG A 65 69.710 -18.319 6.126 1.00 10.13 H new ATOM 0 HG2 ARG A 65 69.407 -19.383 8.139 1.00 12.01 H new ATOM 0 HG3 ARG A 65 67.785 -19.529 7.493 1.00 12.01 H new ATOM 0 HD2 ARG A 65 68.464 -21.684 8.375 1.00 0.21 H new ATOM 0 HD3 ARG A 65 68.352 -21.807 6.631 1.00 0.21 H new ATOM 0 HE ARG A 65 71.026 -21.071 7.578 1.00 35.32 H new ATOM 0 HH11 ARG A 65 68.900 -23.775 6.749 1.00 53.35 H new ATOM 0 HH12 ARG A 65 70.246 -24.904 6.561 1.00 53.35 H new ATOM 0 HH21 ARG A 65 72.719 -22.511 7.322 1.00 23.34 H new ATOM 0 HH22 ARG A 65 72.396 -24.192 6.883 1.00 23.34 H new ATOM 1015 N LEU A 66 67.969 -18.523 2.598 1.00 53.51 N ATOM 1016 CA LEU A 66 68.320 -17.875 1.324 1.00 71.15 C ATOM 1017 C LEU A 66 68.191 -16.357 1.422 1.00 32.04 C ATOM 1018 O LEU A 66 68.415 -15.629 0.450 1.00 73.22 O ATOM 1019 CB LEU A 66 67.431 -18.399 0.186 1.00 33.23 C ATOM 1020 CG LEU A 66 67.583 -19.874 -0.181 1.00 74.22 C ATOM 1021 CD1 LEU A 66 66.549 -20.273 -1.222 1.00 34.12 C ATOM 1022 CD2 LEU A 66 68.985 -20.158 -0.702 1.00 42.44 C ATOM 0 H LEU A 66 67.043 -18.951 2.602 1.00 53.51 H new ATOM 0 HA LEU A 66 69.359 -18.121 1.106 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.391 -18.222 0.458 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.633 -17.804 -0.705 1.00 33.23 H new ATOM 0 HG LEU A 66 67.421 -20.466 0.720 1.00 74.22 H new ATOM 0 HD11 LEU A 66 66.672 -21.327 -1.472 1.00 34.12 H new ATOM 0 HD12 LEU A 66 65.548 -20.109 -0.822 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.685 -19.669 -2.119 1.00 34.12 H new ATOM 0 HD21 LEU A 66 69.071 -21.214 -0.957 1.00 42.44 H new ATOM 0 HD22 LEU A 66 69.173 -19.554 -1.589 1.00 42.44 H new ATOM 0 HD23 LEU A 66 69.716 -19.910 0.067 1.00 42.44 H new ATOM 1034 N TYR A 67 67.836 -15.894 2.585 1.00 50.33 N ATOM 1035 CA TYR A 67 67.672 -14.493 2.841 1.00 63.44 C ATOM 1036 C TYR A 67 68.942 -13.920 3.451 1.00 41.21 C ATOM 1037 O TYR A 67 69.873 -14.670 3.790 1.00 0.14 O ATOM 1038 CB TYR A 67 66.454 -14.239 3.757 1.00 32.51 C ATOM 1039 CG TYR A 67 66.522 -14.946 5.106 1.00 55.05 C ATOM 1040 CD1 TYR A 67 66.037 -16.237 5.258 1.00 24.21 C ATOM 1041 CD2 TYR A 67 67.074 -14.323 6.216 1.00 64.31 C ATOM 1042 CE1 TYR A 67 66.099 -16.887 6.472 1.00 3.00 C ATOM 1043 CE2 TYR A 67 67.139 -14.970 7.441 1.00 44.51 C ATOM 1044 CZ TYR A 67 66.647 -16.257 7.555 1.00 62.24 C ATOM 1045 OH TYR A 67 66.703 -16.923 8.766 1.00 52.04 O ATOM 0 H TYR A 67 67.650 -16.487 3.393 1.00 50.33 H new ATOM 0 HA TYR A 67 67.485 -13.987 1.894 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.360 -13.166 3.927 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.551 -14.560 3.238 1.00 32.51 H new ATOM 0 HD1 TYR A 67 65.602 -16.743 4.408 1.00 24.21 H new ATOM 0 HD2 TYR A 67 67.459 -13.318 6.125 1.00 64.31 H new ATOM 0 HE1 TYR A 67 65.715 -17.892 6.568 1.00 3.00 H new ATOM 0 HE2 TYR A 67 67.570 -14.473 8.298 1.00 44.51 H new ATOM 0 HH TYR A 67 67.120 -16.345 9.438 1.00 52.04 H new ATOM 1055 N ASP A 68 68.979 -12.619 3.563 1.00 63.44 N ATOM 1056 CA ASP A 68 70.080 -11.903 4.178 1.00 21.32 C ATOM 1057 C ASP A 68 69.986 -12.080 5.672 1.00 52.35 C ATOM 1058 O ASP A 68 68.934 -11.857 6.268 1.00 13.34 O ATOM 1059 CB ASP A 68 69.968 -10.416 3.857 1.00 1.00 C ATOM 1060 CG ASP A 68 71.189 -9.578 4.208 1.00 51.10 C ATOM 1061 OD1 ASP A 68 71.832 -9.811 5.232 1.00 62.33 O ATOM 1062 OD2 ASP A 68 71.503 -8.640 3.445 1.00 24.12 O ATOM 0 H ASP A 68 68.234 -12.010 3.225 1.00 63.44 H new ATOM 0 HA ASP A 68 71.027 -12.288 3.801 1.00 21.32 H new ATOM 0 HB2 ASP A 68 69.767 -10.306 2.791 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.106 -10.011 4.387 1.00 1.00 H new ATOM 1067 N GLU A 69 71.068 -12.464 6.261 1.00 63.22 N ATOM 1068 CA GLU A 69 71.138 -12.686 7.688 1.00 62.14 C ATOM 1069 C GLU A 69 71.064 -11.368 8.477 1.00 64.00 C ATOM 1070 O GLU A 69 70.689 -11.357 9.661 1.00 30.11 O ATOM 1071 CB GLU A 69 72.419 -13.448 8.017 1.00 42.41 C ATOM 1072 CG GLU A 69 73.680 -12.759 7.524 1.00 61.33 C ATOM 1073 CD GLU A 69 74.892 -13.619 7.655 1.00 74.11 C ATOM 1074 OE1 GLU A 69 75.488 -13.657 8.740 1.00 24.54 O ATOM 1075 OE2 GLU A 69 75.281 -14.270 6.660 1.00 52.31 O ATOM 0 H GLU A 69 71.945 -12.638 5.770 1.00 63.22 H new ATOM 0 HA GLU A 69 70.275 -13.280 7.988 1.00 62.14 H new ATOM 0 HB2 GLU A 69 72.486 -13.580 9.097 1.00 42.41 H new ATOM 0 HB3 GLU A 69 72.363 -14.443 7.577 1.00 42.41 H new ATOM 0 HG2 GLU A 69 73.551 -12.477 6.479 1.00 61.33 H new ATOM 0 HG3 GLU A 69 73.830 -11.838 8.087 1.00 61.33 H new ATOM 1082 N LYS A 70 71.405 -10.263 7.832 1.00 21.31 N ATOM 1083 CA LYS A 70 71.427 -8.973 8.500 1.00 43.13 C ATOM 1084 C LYS A 70 70.150 -8.228 8.184 1.00 3.23 C ATOM 1085 O LYS A 70 69.616 -7.487 9.018 1.00 14.52 O ATOM 1086 CB LYS A 70 72.555 -8.142 7.927 1.00 51.11 C ATOM 1087 CG LYS A 70 73.874 -8.856 7.756 1.00 5.05 C ATOM 1088 CD LYS A 70 74.572 -9.192 9.057 1.00 31.00 C ATOM 1089 CE LYS A 70 75.914 -9.855 8.777 1.00 65.43 C ATOM 1090 NZ LYS A 70 76.659 -10.190 10.007 1.00 33.03 N ATOM 0 H LYS A 70 71.670 -10.235 6.847 1.00 21.31 H new ATOM 0 HA LYS A 70 71.544 -9.131 9.572 1.00 43.13 H new ATOM 0 HB2 LYS A 70 72.242 -7.759 6.956 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.711 -7.279 8.575 1.00 51.11 H new ATOM 0 HG2 LYS A 70 73.706 -9.777 7.199 1.00 5.05 H new ATOM 0 HG3 LYS A 70 74.535 -8.234 7.152 1.00 5.05 H new ATOM 0 HD2 LYS A 70 74.721 -8.285 9.643 1.00 31.00 H new ATOM 0 HD3 LYS A 70 73.947 -9.857 9.653 1.00 31.00 H new ATOM 0 HE2 LYS A 70 75.750 -10.764 8.199 1.00 65.43 H new ATOM 0 HE3 LYS A 70 76.520 -9.190 8.161 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 77.563 -10.638 9.754 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 76.843 -9.322 10.549 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 76.097 -10.847 10.585 1.00 33.03 H new ATOM 1104 N GLN A 71 69.632 -8.461 7.003 1.00 50.03 N ATOM 1105 CA GLN A 71 68.391 -7.823 6.573 1.00 5.34 C ATOM 1106 C GLN A 71 67.401 -8.867 6.102 1.00 62.15 C ATOM 1107 O GLN A 71 67.413 -9.235 4.951 1.00 64.52 O ATOM 1108 CB GLN A 71 68.616 -6.822 5.422 1.00 3.32 C ATOM 1109 CG GLN A 71 69.603 -5.701 5.683 1.00 21.51 C ATOM 1110 CD GLN A 71 69.708 -4.762 4.487 1.00 43.20 C ATOM 1111 OE1 GLN A 71 70.513 -4.968 3.576 1.00 23.33 O ATOM 1112 NE2 GLN A 71 68.912 -3.727 4.473 1.00 3.50 N ATOM 0 H GLN A 71 70.045 -9.089 6.313 1.00 50.03 H new ATOM 0 HA GLN A 71 68.004 -7.283 7.437 1.00 5.34 H new ATOM 0 HB2 GLN A 71 68.955 -7.378 4.548 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.655 -6.377 5.164 1.00 3.32 H new ATOM 0 HG2 GLN A 71 69.292 -5.138 6.563 1.00 21.51 H new ATOM 0 HG3 GLN A 71 70.584 -6.122 5.904 1.00 21.51 H new ATOM 0 HE21 GLN A 71 68.255 -3.579 5.239 1.00 3.50 H new ATOM 0 HE22 GLN A 71 68.947 -3.067 3.696 1.00 3.50 H new ATOM 1121 N GLN A 72 66.546 -9.326 6.981 1.00 33.03 N ATOM 1122 CA GLN A 72 65.558 -10.357 6.639 1.00 64.41 C ATOM 1123 C GLN A 72 64.623 -9.932 5.505 1.00 73.12 C ATOM 1124 O GLN A 72 64.147 -10.765 4.748 1.00 1.14 O ATOM 1125 CB GLN A 72 64.767 -10.770 7.861 1.00 2.34 C ATOM 1126 CG GLN A 72 65.558 -11.595 8.851 1.00 64.34 C ATOM 1127 CD GLN A 72 64.787 -11.823 10.114 1.00 20.23 C ATOM 1128 OE1 GLN A 72 64.022 -12.776 10.227 1.00 21.44 O ATOM 1129 NE2 GLN A 72 64.978 -10.964 11.073 1.00 52.04 N ATOM 0 H GLN A 72 66.503 -9.009 7.949 1.00 33.03 H new ATOM 0 HA GLN A 72 66.119 -11.218 6.275 1.00 64.41 H new ATOM 0 HB2 GLN A 72 64.397 -9.875 8.362 1.00 2.34 H new ATOM 0 HB3 GLN A 72 63.895 -11.341 7.542 1.00 2.34 H new ATOM 0 HG2 GLN A 72 65.816 -12.554 8.403 1.00 64.34 H new ATOM 0 HG3 GLN A 72 66.495 -11.089 9.082 1.00 64.34 H new ATOM 0 HE21 GLN A 72 65.623 -10.185 10.939 1.00 52.04 H new ATOM 0 HE22 GLN A 72 64.483 -11.070 11.958 1.00 52.04 H new ATOM 1138 N HIS A 73 64.356 -8.624 5.389 1.00 20.12 N ATOM 1139 CA HIS A 73 63.535 -8.096 4.288 1.00 23.35 C ATOM 1140 C HIS A 73 64.255 -8.154 2.931 1.00 72.14 C ATOM 1141 O HIS A 73 63.703 -7.742 1.908 1.00 10.11 O ATOM 1142 CB HIS A 73 63.004 -6.662 4.594 1.00 41.31 C ATOM 1143 CG HIS A 73 64.043 -5.581 4.788 1.00 54.10 C ATOM 1144 ND1 HIS A 73 64.252 -4.942 5.991 1.00 32.14 N ATOM 1145 CD2 HIS A 73 64.897 -5.000 3.911 1.00 65.33 C ATOM 1146 CE1 HIS A 73 65.181 -4.027 5.849 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.592 -4.040 4.595 1.00 73.14 N ATOM 0 H HIS A 73 64.694 -7.915 6.039 1.00 20.12 H new ATOM 0 HA HIS A 73 62.670 -8.755 4.210 1.00 23.35 H new ATOM 0 HB2 HIS A 73 62.348 -6.361 3.778 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.391 -6.711 5.494 1.00 41.31 H new ATOM 0 HD2 HIS A 73 65.008 -5.249 2.866 1.00 65.33 H new ATOM 0 HE1 HIS A 73 65.548 -3.373 6.627 1.00 3.33 H new ATOM 0 HE2 HIS A 73 66.311 -3.433 4.200 1.00 73.14 H new ATOM 1155 N ILE A 74 65.457 -8.673 2.946 1.00 50.14 N ATOM 1156 CA ILE A 74 66.263 -8.847 1.773 1.00 22.31 C ATOM 1157 C ILE A 74 66.467 -10.313 1.565 1.00 55.40 C ATOM 1158 O ILE A 74 67.121 -10.984 2.356 1.00 73.00 O ATOM 1159 CB ILE A 74 67.648 -8.133 1.875 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.467 -6.620 1.938 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.570 -8.516 0.713 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.678 -6.066 0.774 1.00 73.44 C ATOM 0 H ILE A 74 65.911 -8.994 3.801 1.00 50.14 H new ATOM 0 HA ILE A 74 65.741 -8.392 0.931 1.00 22.31 H new ATOM 0 HB ILE A 74 68.124 -8.468 2.797 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.962 -6.359 2.868 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.447 -6.144 1.964 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.524 -7.999 0.820 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.738 -9.593 0.722 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.105 -8.229 -0.230 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.585 -4.985 0.879 1.00 73.44 H new ATOM 0 HD12 ILE A 74 67.194 -6.297 -0.158 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.685 -6.516 0.760 1.00 73.44 H new ATOM 1174 N VAL A 75 65.892 -10.823 0.547 1.00 45.43 N ATOM 1175 CA VAL A 75 66.027 -12.194 0.272 1.00 24.42 C ATOM 1176 C VAL A 75 66.889 -12.344 -0.948 1.00 52.54 C ATOM 1177 O VAL A 75 66.610 -11.746 -1.968 1.00 42.31 O ATOM 1178 CB VAL A 75 64.669 -12.861 0.040 1.00 63.14 C ATOM 1179 CG1 VAL A 75 64.845 -14.344 -0.078 1.00 1.24 C ATOM 1180 CG2 VAL A 75 63.698 -12.529 1.157 1.00 11.12 C ATOM 0 H VAL A 75 65.317 -10.303 -0.116 1.00 45.43 H new ATOM 0 HA VAL A 75 66.484 -12.686 1.131 1.00 24.42 H new ATOM 0 HB VAL A 75 64.250 -12.476 -0.890 1.00 63.14 H new ATOM 0 HG11 VAL A 75 63.875 -14.813 -0.243 1.00 1.24 H new ATOM 0 HG12 VAL A 75 65.503 -14.567 -0.918 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.285 -14.732 0.841 1.00 1.24 H new ATOM 0 HG21 VAL A 75 62.742 -13.016 0.965 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.101 -12.882 2.106 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.552 -11.450 1.203 1.00 11.12 H new ATOM 1190 N TYR A 76 67.934 -13.101 -0.852 1.00 5.33 N ATOM 1191 CA TYR A 76 68.814 -13.253 -1.972 1.00 2.23 C ATOM 1192 C TYR A 76 68.298 -14.320 -2.904 1.00 20.23 C ATOM 1193 O TYR A 76 67.852 -14.018 -4.008 1.00 22.13 O ATOM 1194 CB TYR A 76 70.232 -13.609 -1.534 1.00 71.42 C ATOM 1195 CG TYR A 76 70.919 -12.614 -0.630 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.042 -11.273 -0.979 1.00 34.51 C ATOM 1197 CD2 TYR A 76 71.504 -13.037 0.551 1.00 72.11 C ATOM 1198 CE1 TYR A 76 71.734 -10.391 -0.171 1.00 53.13 C ATOM 1199 CE2 TYR A 76 72.179 -12.169 1.359 1.00 3.12 C ATOM 1200 CZ TYR A 76 72.300 -10.855 1.002 1.00 44.23 C ATOM 1201 OH TYR A 76 73.028 -10.009 1.807 1.00 11.02 O ATOM 0 H TYR A 76 68.201 -13.622 -0.017 1.00 5.33 H new ATOM 0 HA TYR A 76 68.846 -12.294 -2.490 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.202 -14.572 -1.024 1.00 71.42 H new ATOM 0 HB3 TYR A 76 70.844 -13.740 -2.427 1.00 71.42 H new ATOM 0 HD1 TYR A 76 70.591 -10.917 -1.893 1.00 34.51 H new ATOM 0 HD2 TYR A 76 71.425 -14.075 0.839 1.00 72.11 H new ATOM 0 HE1 TYR A 76 71.831 -9.353 -0.452 1.00 53.13 H new ATOM 0 HE2 TYR A 76 72.618 -12.520 2.281 1.00 3.12 H new ATOM 0 HH TYR A 76 72.457 -9.272 2.108 1.00 11.02 H new ATOM 1211 N CYS A 77 68.335 -15.576 -2.427 1.00 54.53 N ATOM 1212 CA CYS A 77 67.974 -16.743 -3.233 1.00 52.14 C ATOM 1213 C CYS A 77 68.849 -16.809 -4.483 1.00 4.33 C ATOM 1214 O CYS A 77 68.469 -17.377 -5.505 1.00 62.20 O ATOM 1215 CB CYS A 77 66.492 -16.717 -3.598 1.00 61.41 C ATOM 1216 SG CYS A 77 65.389 -16.786 -2.184 1.00 54.33 S ATOM 0 H CYS A 77 68.616 -15.805 -1.474 1.00 54.53 H new ATOM 0 HA CYS A 77 68.150 -17.642 -2.642 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.284 -15.809 -4.164 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.276 -17.559 -4.256 1.00 61.41 H new ATOM 0 HG CYS A 77 64.507 -15.836 -2.275 1.00 54.33 H new ATOM 1222 N SER A 78 70.050 -16.295 -4.342 1.00 74.53 N ATOM 1223 CA SER A 78 71.005 -16.202 -5.407 1.00 1.24 C ATOM 1224 C SER A 78 71.708 -17.541 -5.562 1.00 20.30 C ATOM 1225 O SER A 78 72.201 -17.886 -6.627 1.00 21.43 O ATOM 1226 CB SER A 78 72.008 -15.109 -5.057 1.00 41.00 C ATOM 1227 OG SER A 78 71.330 -13.916 -4.662 1.00 62.31 O ATOM 0 H SER A 78 70.392 -15.922 -3.457 1.00 74.53 H new ATOM 0 HA SER A 78 70.514 -15.955 -6.348 1.00 1.24 H new ATOM 0 HB2 SER A 78 72.658 -15.449 -4.251 1.00 41.00 H new ATOM 0 HB3 SER A 78 72.646 -14.904 -5.917 1.00 41.00 H new ATOM 0 HG SER A 78 70.739 -13.621 -5.386 1.00 62.31 H new ATOM 1233 N ASN A 79 71.707 -18.304 -4.485 1.00 41.54 N ATOM 1234 CA ASN A 79 72.318 -19.620 -4.451 1.00 73.42 C ATOM 1235 C ASN A 79 71.381 -20.660 -5.046 1.00 0.00 C ATOM 1236 O ASN A 79 71.779 -21.777 -5.356 1.00 53.23 O ATOM 1237 CB ASN A 79 72.621 -19.990 -3.019 1.00 72.51 C ATOM 1238 CG ASN A 79 73.476 -21.220 -2.940 1.00 60.42 C ATOM 1239 OD1 ASN A 79 74.308 -21.491 -3.820 1.00 34.51 O ATOM 1240 ND2 ASN A 79 73.318 -21.945 -1.925 1.00 12.14 N ATOM 0 H ASN A 79 71.279 -18.026 -3.602 1.00 41.54 H new ATOM 0 HA ASN A 79 73.237 -19.596 -5.037 1.00 73.42 H new ATOM 0 HB2 ASN A 79 73.128 -19.160 -2.527 1.00 72.51 H new ATOM 0 HB3 ASN A 79 71.689 -20.158 -2.480 1.00 72.51 H new ATOM 0 HD21 ASN A 79 73.883 -22.786 -1.806 1.00 12.14 H new ATOM 0 HD22 ASN A 79 72.625 -21.692 -1.221 1.00 12.14 H new ATOM 1247 N ASP A 80 70.149 -20.274 -5.249 1.00 63.10 N ATOM 1248 CA ASP A 80 69.145 -21.184 -5.740 1.00 44.31 C ATOM 1249 C ASP A 80 68.498 -20.601 -6.995 1.00 54.24 C ATOM 1250 O ASP A 80 68.833 -19.499 -7.403 1.00 62.42 O ATOM 1251 CB ASP A 80 68.107 -21.481 -4.631 1.00 54.35 C ATOM 1252 CG ASP A 80 67.036 -22.481 -5.052 1.00 4.01 C ATOM 1253 OD1 ASP A 80 67.380 -23.575 -5.579 1.00 51.55 O ATOM 1254 OD2 ASP A 80 65.856 -22.171 -4.948 1.00 31.11 O ATOM 0 H ASP A 80 69.813 -19.326 -5.080 1.00 63.10 H new ATOM 0 HA ASP A 80 69.605 -22.134 -6.013 1.00 44.31 H new ATOM 0 HB2 ASP A 80 68.626 -21.865 -3.752 1.00 54.35 H new ATOM 0 HB3 ASP A 80 67.626 -20.549 -4.335 1.00 54.35 H new ATOM 1259 N LEU A 81 67.594 -21.340 -7.587 1.00 71.31 N ATOM 1260 CA LEU A 81 66.930 -20.970 -8.813 1.00 11.32 C ATOM 1261 C LEU A 81 65.779 -19.977 -8.508 1.00 12.11 C ATOM 1262 O LEU A 81 65.421 -19.166 -9.362 1.00 75.03 O ATOM 1263 CB LEU A 81 66.418 -22.286 -9.479 1.00 25.11 C ATOM 1264 CG LEU A 81 66.068 -22.298 -10.992 1.00 40.03 C ATOM 1265 CD1 LEU A 81 64.792 -21.562 -11.298 1.00 43.44 C ATOM 1266 CD2 LEU A 81 67.207 -21.718 -11.801 1.00 21.25 C ATOM 0 H LEU A 81 67.290 -22.242 -7.219 1.00 71.31 H new ATOM 0 HA LEU A 81 67.606 -20.461 -9.500 1.00 11.32 H new ATOM 0 HB2 LEU A 81 67.177 -23.051 -9.314 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.526 -22.600 -8.936 1.00 25.11 H new ATOM 0 HG LEU A 81 65.914 -23.340 -11.271 1.00 40.03 H new ATOM 0 HD11 LEU A 81 64.597 -21.603 -12.370 1.00 43.44 H new ATOM 0 HD12 LEU A 81 63.966 -22.027 -10.761 1.00 43.44 H new ATOM 0 HD13 LEU A 81 64.888 -20.522 -10.986 1.00 43.44 H new ATOM 0 HD21 LEU A 81 66.946 -21.733 -12.859 1.00 21.25 H new ATOM 0 HD22 LEU A 81 67.390 -20.690 -11.487 1.00 21.25 H new ATOM 0 HD23 LEU A 81 68.107 -22.312 -11.640 1.00 21.25 H new ATOM 1278 N LEU A 82 65.255 -20.034 -7.259 1.00 22.23 N ATOM 1279 CA LEU A 82 64.107 -19.216 -6.787 1.00 31.14 C ATOM 1280 C LEU A 82 64.207 -17.747 -7.238 1.00 51.53 C ATOM 1281 O LEU A 82 63.299 -17.236 -7.902 1.00 75.13 O ATOM 1282 CB LEU A 82 64.029 -19.305 -5.227 1.00 51.31 C ATOM 1283 CG LEU A 82 62.781 -18.724 -4.480 1.00 44.45 C ATOM 1284 CD1 LEU A 82 62.868 -19.060 -3.012 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.651 -17.209 -4.598 1.00 64.25 C ATOM 0 H LEU A 82 65.622 -20.658 -6.540 1.00 22.23 H new ATOM 0 HA LEU A 82 63.197 -19.617 -7.234 1.00 31.14 H new ATOM 0 HB2 LEU A 82 64.110 -20.358 -4.956 1.00 51.31 H new ATOM 0 HB3 LEU A 82 64.911 -18.804 -4.827 1.00 51.31 H new ATOM 0 HG LEU A 82 61.910 -19.176 -4.954 1.00 44.45 H new ATOM 0 HD11 LEU A 82 61.999 -18.655 -2.494 1.00 51.52 H new ATOM 0 HD12 LEU A 82 62.893 -20.143 -2.887 1.00 51.52 H new ATOM 0 HD13 LEU A 82 63.775 -18.626 -2.592 1.00 51.52 H new ATOM 0 HD21 LEU A 82 61.765 -16.877 -4.057 1.00 64.25 H new ATOM 0 HD22 LEU A 82 63.535 -16.734 -4.173 1.00 64.25 H new ATOM 0 HD23 LEU A 82 62.560 -16.932 -5.648 1.00 64.25 H new ATOM 1297 N GLY A 83 65.309 -17.091 -6.887 1.00 33.33 N ATOM 1298 CA GLY A 83 65.455 -15.675 -7.165 1.00 13.41 C ATOM 1299 C GLY A 83 65.463 -15.382 -8.638 1.00 23.02 C ATOM 1300 O GLY A 83 64.676 -14.537 -9.136 1.00 63.21 O ATOM 0 H GLY A 83 66.105 -17.517 -6.413 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.639 -15.128 -6.692 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.382 -15.313 -6.720 1.00 13.41 H new ATOM 1304 N ASP A 84 66.310 -16.106 -9.352 1.00 74.23 N ATOM 1305 CA ASP A 84 66.468 -15.937 -10.788 1.00 72.30 C ATOM 1306 C ASP A 84 65.139 -16.008 -11.458 1.00 60.45 C ATOM 1307 O ASP A 84 64.763 -15.081 -12.155 1.00 21.25 O ATOM 1308 CB ASP A 84 67.398 -16.994 -11.372 1.00 32.43 C ATOM 1309 CG ASP A 84 67.630 -16.802 -12.857 1.00 23.04 C ATOM 1310 OD1 ASP A 84 68.336 -15.832 -13.248 1.00 34.12 O ATOM 1311 OD2 ASP A 84 67.123 -17.606 -13.666 1.00 12.11 O ATOM 0 H ASP A 84 66.908 -16.829 -8.952 1.00 74.23 H new ATOM 0 HA ASP A 84 66.914 -14.958 -10.964 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.354 -16.961 -10.850 1.00 32.43 H new ATOM 0 HB3 ASP A 84 66.974 -17.983 -11.198 1.00 32.43 H new ATOM 1316 N LEU A 85 64.395 -17.050 -11.097 1.00 51.32 N ATOM 1317 CA LEU A 85 63.087 -17.402 -11.608 1.00 55.15 C ATOM 1318 C LEU A 85 62.065 -16.283 -11.411 1.00 45.10 C ATOM 1319 O LEU A 85 61.169 -16.088 -12.240 1.00 62.02 O ATOM 1320 CB LEU A 85 62.656 -18.600 -10.830 1.00 35.13 C ATOM 1321 CG LEU A 85 61.487 -19.360 -11.343 1.00 61.13 C ATOM 1322 CD1 LEU A 85 61.727 -19.848 -12.765 1.00 14.13 C ATOM 1323 CD2 LEU A 85 61.149 -20.512 -10.409 1.00 34.22 C ATOM 0 H LEU A 85 64.718 -17.712 -10.391 1.00 51.32 H new ATOM 0 HA LEU A 85 63.145 -17.586 -12.681 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.502 -19.284 -10.767 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.430 -18.279 -9.813 1.00 35.13 H new ATOM 0 HG LEU A 85 60.630 -18.688 -11.373 1.00 61.13 H new ATOM 0 HD11 LEU A 85 60.854 -20.401 -13.112 1.00 14.13 H new ATOM 0 HD12 LEU A 85 61.899 -18.993 -13.419 1.00 14.13 H new ATOM 0 HD13 LEU A 85 62.600 -20.500 -12.783 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.290 -21.058 -10.800 1.00 34.22 H new ATOM 0 HD22 LEU A 85 62.004 -21.184 -10.336 1.00 34.22 H new ATOM 0 HD23 LEU A 85 60.910 -20.121 -9.420 1.00 34.22 H new ATOM 1335 N PHE A 86 62.193 -15.577 -10.308 1.00 13.22 N ATOM 1336 CA PHE A 86 61.358 -14.415 -10.009 1.00 14.21 C ATOM 1337 C PHE A 86 61.708 -13.268 -10.945 1.00 25.43 C ATOM 1338 O PHE A 86 60.944 -12.304 -11.119 1.00 74.23 O ATOM 1339 CB PHE A 86 61.553 -13.996 -8.554 1.00 60.11 C ATOM 1340 CG PHE A 86 60.750 -14.779 -7.536 1.00 12.33 C ATOM 1341 CD1 PHE A 86 60.126 -15.977 -7.866 1.00 60.04 C ATOM 1342 CD2 PHE A 86 60.610 -14.298 -6.245 1.00 61.20 C ATOM 1343 CE1 PHE A 86 59.383 -16.668 -6.929 1.00 63.23 C ATOM 1344 CE2 PHE A 86 59.870 -14.983 -5.306 1.00 21.42 C ATOM 1345 CZ PHE A 86 59.256 -16.168 -5.647 1.00 2.54 C ATOM 0 H PHE A 86 62.881 -15.788 -9.585 1.00 13.22 H new ATOM 0 HA PHE A 86 60.311 -14.678 -10.159 1.00 14.21 H new ATOM 0 HB2 PHE A 86 62.610 -14.089 -8.306 1.00 60.11 H new ATOM 0 HB3 PHE A 86 61.295 -12.941 -8.460 1.00 60.11 H new ATOM 0 HD1 PHE A 86 60.223 -16.372 -8.867 1.00 60.04 H new ATOM 0 HD2 PHE A 86 61.089 -13.370 -5.969 1.00 61.20 H new ATOM 0 HE1 PHE A 86 58.902 -17.597 -7.198 1.00 63.23 H new ATOM 0 HE2 PHE A 86 59.772 -14.591 -4.304 1.00 21.42 H new ATOM 0 HZ PHE A 86 58.675 -16.706 -4.912 1.00 2.54 H new ATOM 1355 N GLY A 87 62.856 -13.398 -11.542 1.00 24.41 N ATOM 1356 CA GLY A 87 63.348 -12.441 -12.502 1.00 31.24 C ATOM 1357 C GLY A 87 64.314 -11.524 -11.856 1.00 3.13 C ATOM 1358 O GLY A 87 64.601 -10.428 -12.354 1.00 20.13 O ATOM 0 H GLY A 87 63.489 -14.181 -11.377 1.00 24.41 H new ATOM 0 HA2 GLY A 87 63.827 -12.960 -13.332 1.00 31.24 H new ATOM 0 HA3 GLY A 87 62.517 -11.872 -12.919 1.00 31.24 H new ATOM 1362 N VAL A 88 64.856 -11.977 -10.761 1.00 0.24 N ATOM 1363 CA VAL A 88 65.700 -11.111 -9.946 1.00 65.43 C ATOM 1364 C VAL A 88 66.983 -11.769 -9.449 1.00 62.04 C ATOM 1365 O VAL A 88 67.089 -12.982 -9.393 1.00 2.43 O ATOM 1366 CB VAL A 88 64.922 -10.519 -8.736 1.00 34.42 C ATOM 1367 CG1 VAL A 88 63.862 -9.516 -9.171 1.00 53.13 C ATOM 1368 CG2 VAL A 88 64.297 -11.612 -7.899 1.00 52.45 C ATOM 0 H VAL A 88 64.739 -12.926 -10.405 1.00 0.24 H new ATOM 0 HA VAL A 88 65.995 -10.310 -10.623 1.00 65.43 H new ATOM 0 HB VAL A 88 65.651 -9.987 -8.126 1.00 34.42 H new ATOM 0 HG11 VAL A 88 63.345 -9.129 -8.293 1.00 53.13 H new ATOM 0 HG12 VAL A 88 64.337 -8.693 -9.704 1.00 53.13 H new ATOM 0 HG13 VAL A 88 63.144 -10.007 -9.828 1.00 53.13 H new ATOM 0 HG21 VAL A 88 63.760 -11.167 -7.061 1.00 52.45 H new ATOM 0 HG22 VAL A 88 63.602 -12.187 -8.511 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.078 -12.272 -7.520 1.00 52.45 H new ATOM 1378 N PRO A 89 68.013 -10.958 -9.148 1.00 11.32 N ATOM 1379 CA PRO A 89 69.236 -11.441 -8.499 1.00 74.43 C ATOM 1380 C PRO A 89 68.966 -11.752 -7.020 1.00 61.01 C ATOM 1381 O PRO A 89 69.511 -12.711 -6.455 1.00 1.24 O ATOM 1382 CB PRO A 89 70.200 -10.248 -8.618 1.00 25.13 C ATOM 1383 CG PRO A 89 69.596 -9.365 -9.647 1.00 40.51 C ATOM 1384 CD PRO A 89 68.124 -9.525 -9.486 1.00 22.11 C ATOM 0 HA PRO A 89 69.624 -12.355 -8.948 1.00 74.43 H new ATOM 0 HB2 PRO A 89 70.305 -9.729 -7.665 1.00 25.13 H new ATOM 0 HB3 PRO A 89 71.197 -10.574 -8.914 1.00 25.13 H new ATOM 0 HG2 PRO A 89 69.897 -8.328 -9.501 1.00 40.51 H new ATOM 0 HG3 PRO A 89 69.916 -9.652 -10.649 1.00 40.51 H new ATOM 0 HD2 PRO A 89 67.727 -8.887 -8.697 1.00 22.11 H new ATOM 0 HD3 PRO A 89 67.583 -9.277 -10.399 1.00 22.11 H new ATOM 1392 N SER A 90 68.108 -10.930 -6.438 1.00 72.45 N ATOM 1393 CA SER A 90 67.663 -10.993 -5.071 1.00 0.12 C ATOM 1394 C SER A 90 66.351 -10.201 -5.010 1.00 72.25 C ATOM 1395 O SER A 90 66.085 -9.407 -5.936 1.00 42.34 O ATOM 1396 CB SER A 90 68.738 -10.396 -4.139 1.00 14.22 C ATOM 1397 OG SER A 90 69.158 -9.102 -4.571 1.00 32.43 O ATOM 0 H SER A 90 67.682 -10.155 -6.947 1.00 72.45 H new ATOM 0 HA SER A 90 67.500 -12.018 -4.739 1.00 0.12 H new ATOM 0 HB2 SER A 90 68.343 -10.330 -3.125 1.00 14.22 H new ATOM 0 HB3 SER A 90 69.599 -11.064 -4.103 1.00 14.22 H new ATOM 0 HG SER A 90 69.837 -8.756 -3.955 1.00 32.43 H new ATOM 1403 N PHE A 91 65.541 -10.380 -3.983 1.00 22.52 N ATOM 1404 CA PHE A 91 64.258 -9.730 -3.946 1.00 23.10 C ATOM 1405 C PHE A 91 63.963 -9.173 -2.555 1.00 42.12 C ATOM 1406 O PHE A 91 64.457 -9.687 -1.549 1.00 74.32 O ATOM 1407 CB PHE A 91 63.125 -10.682 -4.444 1.00 64.21 C ATOM 1408 CG PHE A 91 62.555 -11.702 -3.459 1.00 51.33 C ATOM 1409 CD1 PHE A 91 61.479 -11.347 -2.672 1.00 4.31 C ATOM 1410 CD2 PHE A 91 63.046 -13.021 -3.350 1.00 11.25 C ATOM 1411 CE1 PHE A 91 60.903 -12.235 -1.813 1.00 61.22 C ATOM 1412 CE2 PHE A 91 62.459 -13.907 -2.476 1.00 2.33 C ATOM 1413 CZ PHE A 91 61.388 -13.516 -1.710 1.00 72.40 C ATOM 0 H PHE A 91 65.752 -10.965 -3.174 1.00 22.52 H new ATOM 0 HA PHE A 91 64.291 -8.884 -4.633 1.00 23.10 H new ATOM 0 HB2 PHE A 91 62.300 -10.062 -4.796 1.00 64.21 H new ATOM 0 HB3 PHE A 91 63.505 -11.229 -5.307 1.00 64.21 H new ATOM 0 HD1 PHE A 91 61.084 -10.344 -2.738 1.00 4.31 H new ATOM 0 HD2 PHE A 91 63.884 -13.335 -3.954 1.00 11.25 H new ATOM 0 HE1 PHE A 91 60.061 -11.930 -1.210 1.00 61.22 H new ATOM 0 HE2 PHE A 91 62.842 -14.913 -2.392 1.00 2.33 H new ATOM 0 HZ PHE A 91 60.928 -14.215 -1.027 1.00 72.40 H new ATOM 1423 N SER A 92 63.209 -8.110 -2.509 1.00 13.21 N ATOM 1424 CA SER A 92 62.811 -7.520 -1.273 1.00 63.42 C ATOM 1425 C SER A 92 61.357 -7.856 -1.003 1.00 12.35 C ATOM 1426 O SER A 92 60.520 -7.808 -1.911 1.00 65.40 O ATOM 1427 CB SER A 92 63.003 -5.996 -1.322 1.00 64.34 C ATOM 1428 OG SER A 92 62.588 -5.377 -0.107 1.00 72.34 O ATOM 0 H SER A 92 62.854 -7.630 -3.336 1.00 13.21 H new ATOM 0 HA SER A 92 63.430 -7.918 -0.469 1.00 63.42 H new ATOM 0 HB2 SER A 92 64.052 -5.766 -1.508 1.00 64.34 H new ATOM 0 HB3 SER A 92 62.433 -5.583 -2.155 1.00 64.34 H new ATOM 0 HG SER A 92 62.821 -5.954 0.650 1.00 72.34 H new ATOM 1434 N VAL A 93 61.051 -8.180 0.242 1.00 15.21 N ATOM 1435 CA VAL A 93 59.677 -8.497 0.637 1.00 44.32 C ATOM 1436 C VAL A 93 58.848 -7.217 0.807 1.00 70.53 C ATOM 1437 O VAL A 93 57.649 -7.262 1.100 1.00 62.34 O ATOM 1438 CB VAL A 93 59.621 -9.334 1.936 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.377 -10.630 1.765 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.173 -8.558 3.112 1.00 71.25 C ATOM 0 H VAL A 93 61.731 -8.232 1.001 1.00 15.21 H new ATOM 0 HA VAL A 93 59.250 -9.098 -0.166 1.00 44.32 H new ATOM 0 HB VAL A 93 58.575 -9.561 2.140 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.326 -11.205 2.689 1.00 62.31 H new ATOM 0 HG12 VAL A 93 59.932 -11.206 0.954 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.419 -10.415 1.528 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.120 -9.173 4.011 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.211 -8.290 2.916 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.586 -7.651 3.258 1.00 71.25 H new ATOM 1450 N LYS A 94 59.516 -6.078 0.648 1.00 25.30 N ATOM 1451 CA LYS A 94 58.867 -4.775 0.703 1.00 34.12 C ATOM 1452 C LYS A 94 57.975 -4.551 -0.497 1.00 43.13 C ATOM 1453 O LYS A 94 56.968 -3.845 -0.405 1.00 62.22 O ATOM 1454 CB LYS A 94 59.898 -3.645 0.790 1.00 44.32 C ATOM 1455 CG LYS A 94 60.208 -3.059 2.186 1.00 11.41 C ATOM 1456 CD LYS A 94 60.737 -4.059 3.218 1.00 61.24 C ATOM 1457 CE LYS A 94 59.630 -4.902 3.853 1.00 64.21 C ATOM 1458 NZ LYS A 94 58.592 -4.070 4.500 1.00 40.32 N ATOM 0 H LYS A 94 60.521 -6.034 0.478 1.00 25.30 H new ATOM 0 HA LYS A 94 58.253 -4.765 1.603 1.00 34.12 H new ATOM 0 HB2 LYS A 94 60.833 -4.011 0.365 1.00 44.32 H new ATOM 0 HB3 LYS A 94 59.556 -2.830 0.153 1.00 44.32 H new ATOM 0 HG2 LYS A 94 60.941 -2.260 2.071 1.00 11.41 H new ATOM 0 HG3 LYS A 94 59.299 -2.604 2.580 1.00 11.41 H new ATOM 0 HD2 LYS A 94 61.460 -4.719 2.739 1.00 61.24 H new ATOM 0 HD3 LYS A 94 61.269 -3.518 4.001 1.00 61.24 H new ATOM 0 HE2 LYS A 94 59.168 -5.526 3.088 1.00 64.21 H new ATOM 0 HE3 LYS A 94 60.067 -5.574 4.592 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 58.076 -4.641 5.200 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 59.042 -3.262 4.976 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 57.928 -3.722 3.780 1.00 40.32 H new ATOM 1472 N GLU A 95 58.324 -5.145 -1.618 1.00 41.22 N ATOM 1473 CA GLU A 95 57.550 -4.961 -2.815 1.00 25.25 C ATOM 1474 C GLU A 95 56.395 -5.920 -2.860 1.00 44.21 C ATOM 1475 O GLU A 95 56.483 -6.999 -3.422 1.00 11.24 O ATOM 1476 CB GLU A 95 58.370 -5.114 -4.046 1.00 62.12 C ATOM 1477 CG GLU A 95 59.555 -4.175 -4.142 1.00 1.24 C ATOM 1478 CD GLU A 95 59.138 -2.738 -4.013 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.201 -2.316 -4.725 1.00 30.24 O ATOM 1480 OE2 GLU A 95 59.741 -2.000 -3.211 1.00 35.23 O ATOM 0 H GLU A 95 59.135 -5.755 -1.720 1.00 41.22 H new ATOM 0 HA GLU A 95 57.173 -3.939 -2.786 1.00 25.25 H new ATOM 0 HB2 GLU A 95 58.733 -6.141 -4.098 1.00 62.12 H new ATOM 0 HB3 GLU A 95 57.729 -4.958 -4.914 1.00 62.12 H new ATOM 0 HG2 GLU A 95 60.275 -4.416 -3.360 1.00 1.24 H new ATOM 0 HG3 GLU A 95 60.060 -4.323 -5.097 1.00 1.24 H new ATOM 1487 N HIS A 96 55.329 -5.487 -2.300 1.00 61.03 N ATOM 1488 CA HIS A 96 54.107 -6.279 -2.127 1.00 22.11 C ATOM 1489 C HIS A 96 53.533 -6.709 -3.449 1.00 24.20 C ATOM 1490 O HIS A 96 53.214 -7.886 -3.645 1.00 4.12 O ATOM 1491 CB HIS A 96 53.050 -5.509 -1.316 1.00 0.11 C ATOM 1492 CG HIS A 96 53.392 -5.334 0.133 1.00 4.44 C ATOM 1493 ND1 HIS A 96 54.197 -4.324 0.612 1.00 0.33 N ATOM 1494 CD2 HIS A 96 53.040 -6.069 1.209 1.00 64.43 C ATOM 1495 CE1 HIS A 96 54.329 -4.448 1.914 1.00 53.21 C ATOM 1496 NE2 HIS A 96 53.637 -5.500 2.306 1.00 71.43 N ATOM 0 H HIS A 96 55.250 -4.541 -1.926 1.00 61.03 H new ATOM 0 HA HIS A 96 54.386 -7.173 -1.570 1.00 22.11 H new ATOM 0 HB2 HIS A 96 52.909 -4.526 -1.765 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.098 -6.034 -1.392 1.00 0.11 H new ATOM 0 HD2 HIS A 96 52.406 -6.943 1.207 1.00 64.43 H new ATOM 0 HE1 HIS A 96 54.907 -3.798 2.555 1.00 53.21 H new ATOM 0 HE2 HIS A 96 53.558 -5.835 3.266 1.00 71.43 H new ATOM 1504 N ARG A 97 53.465 -5.768 -4.377 1.00 61.45 N ATOM 1505 CA ARG A 97 52.889 -6.027 -5.682 1.00 2.00 C ATOM 1506 C ARG A 97 53.750 -6.991 -6.453 1.00 60.51 C ATOM 1507 O ARG A 97 53.247 -7.873 -7.144 1.00 63.44 O ATOM 1508 CB ARG A 97 52.706 -4.742 -6.472 1.00 25.22 C ATOM 1509 CG ARG A 97 51.744 -3.764 -5.840 1.00 31.52 C ATOM 1510 CD ARG A 97 51.580 -2.533 -6.703 1.00 61.22 C ATOM 1511 NE ARG A 97 50.621 -1.589 -6.129 1.00 52.14 N ATOM 1512 CZ ARG A 97 50.092 -0.553 -6.784 1.00 35.43 C ATOM 1513 NH1 ARG A 97 50.399 -0.337 -8.060 1.00 32.04 N ATOM 1514 NH2 ARG A 97 49.244 0.256 -6.174 1.00 50.15 N ATOM 0 H ARG A 97 53.804 -4.815 -4.247 1.00 61.45 H new ATOM 0 HA ARG A 97 51.906 -6.472 -5.529 1.00 2.00 H new ATOM 0 HB2 ARG A 97 53.676 -4.258 -6.589 1.00 25.22 H new ATOM 0 HB3 ARG A 97 52.351 -4.990 -7.472 1.00 25.22 H new ATOM 0 HG2 ARG A 97 50.776 -4.243 -5.695 1.00 31.52 H new ATOM 0 HG3 ARG A 97 52.108 -3.476 -4.854 1.00 31.52 H new ATOM 0 HD2 ARG A 97 52.546 -2.042 -6.823 1.00 61.22 H new ATOM 0 HD3 ARG A 97 51.247 -2.829 -7.698 1.00 61.22 H new ATOM 0 HE ARG A 97 50.337 -1.733 -5.160 1.00 52.14 H new ATOM 0 HH11 ARG A 97 51.042 -0.965 -8.543 1.00 32.04 H new ATOM 0 HH12 ARG A 97 49.992 0.456 -8.555 1.00 32.04 H new ATOM 0 HH21 ARG A 97 48.992 0.090 -5.200 1.00 50.15 H new ATOM 0 HH22 ARG A 97 48.842 1.047 -6.677 1.00 50.15 H new ATOM 1528 N LYS A 98 55.051 -6.853 -6.277 1.00 3.30 N ATOM 1529 CA LYS A 98 56.005 -7.700 -6.956 1.00 1.24 C ATOM 1530 C LYS A 98 55.967 -9.099 -6.435 1.00 33.20 C ATOM 1531 O LYS A 98 56.228 -10.022 -7.170 1.00 63.32 O ATOM 1532 CB LYS A 98 57.432 -7.142 -6.915 1.00 62.12 C ATOM 1533 CG LYS A 98 57.738 -6.093 -7.980 1.00 4.31 C ATOM 1534 CD LYS A 98 56.826 -4.884 -7.903 1.00 4.22 C ATOM 1535 CE LYS A 98 57.106 -3.918 -9.038 1.00 21.35 C ATOM 1536 NZ LYS A 98 56.840 -4.525 -10.368 1.00 63.10 N ATOM 0 H LYS A 98 55.471 -6.155 -5.663 1.00 3.30 H new ATOM 0 HA LYS A 98 55.701 -7.716 -8.003 1.00 1.24 H new ATOM 0 HB2 LYS A 98 57.608 -6.704 -5.932 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.134 -7.968 -7.026 1.00 62.12 H new ATOM 0 HG2 LYS A 98 58.773 -5.767 -7.874 1.00 4.31 H new ATOM 0 HG3 LYS A 98 57.646 -6.548 -8.966 1.00 4.31 H new ATOM 0 HD2 LYS A 98 55.785 -5.206 -7.943 1.00 4.22 H new ATOM 0 HD3 LYS A 98 56.966 -4.378 -6.948 1.00 4.22 H new ATOM 0 HE2 LYS A 98 56.489 -3.028 -8.916 1.00 21.35 H new ATOM 0 HE3 LYS A 98 58.146 -3.594 -8.989 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 56.762 -3.774 -11.083 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 57.621 -5.164 -10.621 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 55.951 -5.063 -10.332 1.00 63.10 H new ATOM 1550 N ILE A 99 55.629 -9.263 -5.168 1.00 54.20 N ATOM 1551 CA ILE A 99 55.523 -10.598 -4.616 1.00 3.41 C ATOM 1552 C ILE A 99 54.432 -11.341 -5.356 1.00 32.52 C ATOM 1553 O ILE A 99 54.639 -12.456 -5.814 1.00 34.24 O ATOM 1554 CB ILE A 99 55.209 -10.630 -3.095 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.179 -9.751 -2.289 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.251 -12.065 -2.582 1.00 53.21 C ATOM 1557 CD1 ILE A 99 57.647 -10.007 -2.552 1.00 13.25 C ATOM 0 H ILE A 99 55.427 -8.505 -4.516 1.00 54.20 H new ATOM 0 HA ILE A 99 56.498 -11.068 -4.741 1.00 3.41 H new ATOM 0 HB ILE A 99 54.207 -10.224 -2.957 1.00 74.14 H new ATOM 0 HG12 ILE A 99 55.964 -8.705 -2.507 1.00 62.20 H new ATOM 0 HG13 ILE A 99 55.984 -9.902 -1.227 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.030 -12.077 -1.515 1.00 53.21 H new ATOM 0 HG22 ILE A 99 54.510 -12.663 -3.113 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.243 -12.483 -2.751 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.249 -9.338 -1.937 1.00 13.25 H new ATOM 0 HD12 ILE A 99 57.886 -11.041 -2.305 1.00 13.25 H new ATOM 0 HD13 ILE A 99 57.865 -9.826 -3.605 1.00 13.25 H new ATOM 1569 N TYR A 100 53.295 -10.675 -5.539 1.00 43.11 N ATOM 1570 CA TYR A 100 52.158 -11.283 -6.225 1.00 15.13 C ATOM 1571 C TYR A 100 52.537 -11.637 -7.641 1.00 34.44 C ATOM 1572 O TYR A 100 52.311 -12.758 -8.093 1.00 3.54 O ATOM 1573 CB TYR A 100 50.954 -10.347 -6.287 1.00 21.14 C ATOM 1574 CG TYR A 100 50.567 -9.724 -4.973 1.00 60.15 C ATOM 1575 CD1 TYR A 100 50.495 -10.472 -3.808 1.00 74.45 C ATOM 1576 CD2 TYR A 100 50.296 -8.373 -4.902 1.00 64.34 C ATOM 1577 CE1 TYR A 100 50.158 -9.885 -2.610 1.00 71.11 C ATOM 1578 CE2 TYR A 100 49.958 -7.775 -3.716 1.00 62.13 C ATOM 1579 CZ TYR A 100 49.890 -8.527 -2.570 1.00 51.34 C ATOM 1580 OH TYR A 100 49.536 -7.921 -1.382 1.00 40.22 O ATOM 0 H TYR A 100 53.136 -9.718 -5.223 1.00 43.11 H new ATOM 0 HA TYR A 100 51.888 -12.172 -5.655 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.167 -9.551 -7.001 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.100 -10.902 -6.675 1.00 21.14 H new ATOM 0 HD1 TYR A 100 50.706 -11.531 -3.841 1.00 74.45 H new ATOM 0 HD2 TYR A 100 50.351 -7.775 -5.799 1.00 64.34 H new ATOM 0 HE1 TYR A 100 50.103 -10.478 -1.709 1.00 71.11 H new ATOM 0 HE2 TYR A 100 49.746 -6.716 -3.683 1.00 62.13 H new ATOM 0 HH TYR A 100 49.788 -8.499 -0.632 1.00 40.22 H new ATOM 1590 N THR A 101 53.150 -10.697 -8.319 1.00 71.31 N ATOM 1591 CA THR A 101 53.513 -10.886 -9.694 1.00 4.12 C ATOM 1592 C THR A 101 54.619 -11.918 -9.886 1.00 22.22 C ATOM 1593 O THR A 101 54.596 -12.659 -10.851 1.00 14.53 O ATOM 1594 CB THR A 101 53.822 -9.562 -10.410 1.00 52.21 C ATOM 1595 OG1 THR A 101 54.706 -8.764 -9.617 1.00 1.34 O ATOM 1596 CG2 THR A 101 52.532 -8.798 -10.674 1.00 55.24 C ATOM 0 H THR A 101 53.408 -9.789 -7.933 1.00 71.31 H new ATOM 0 HA THR A 101 52.628 -11.302 -10.176 1.00 4.12 H new ATOM 0 HB THR A 101 54.306 -9.784 -11.361 1.00 52.21 H new ATOM 0 HG1 THR A 101 55.138 -9.327 -8.942 1.00 1.34 H new ATOM 0 HG21 THR A 101 52.761 -7.861 -11.182 1.00 55.24 H new ATOM 0 HG22 THR A 101 51.875 -9.400 -11.302 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.035 -8.585 -9.728 1.00 55.24 H new ATOM 1604 N MET A 102 55.545 -12.009 -8.947 1.00 34.35 N ATOM 1605 CA MET A 102 56.613 -13.005 -9.029 1.00 63.42 C ATOM 1606 C MET A 102 56.076 -14.408 -8.831 1.00 13.22 C ATOM 1607 O MET A 102 56.609 -15.373 -9.379 1.00 73.13 O ATOM 1608 CB MET A 102 57.786 -12.700 -8.080 1.00 43.15 C ATOM 1609 CG MET A 102 58.566 -11.434 -8.458 1.00 11.42 C ATOM 1610 SD MET A 102 59.974 -11.079 -7.366 1.00 45.04 S ATOM 1611 CE MET A 102 59.161 -10.965 -5.775 1.00 54.24 C ATOM 0 H MET A 102 55.584 -11.411 -8.121 1.00 34.35 H new ATOM 0 HA MET A 102 57.019 -12.946 -10.039 1.00 63.42 H new ATOM 0 HB2 MET A 102 57.403 -12.592 -7.065 1.00 43.15 H new ATOM 0 HB3 MET A 102 58.469 -13.550 -8.074 1.00 43.15 H new ATOM 0 HG2 MET A 102 58.929 -11.535 -9.481 1.00 11.42 H new ATOM 0 HG3 MET A 102 57.885 -10.583 -8.444 1.00 11.42 H new ATOM 0 HE1 MET A 102 59.880 -10.646 -5.021 1.00 54.24 H new ATOM 0 HE2 MET A 102 58.349 -10.240 -5.832 1.00 54.24 H new ATOM 0 HE3 MET A 102 58.758 -11.940 -5.502 1.00 54.24 H new ATOM 1621 N ILE A 103 54.996 -14.511 -8.092 1.00 3.21 N ATOM 1622 CA ILE A 103 54.331 -15.783 -7.872 1.00 52.20 C ATOM 1623 C ILE A 103 53.463 -16.100 -9.082 1.00 5.52 C ATOM 1624 O ILE A 103 53.501 -17.200 -9.621 1.00 70.30 O ATOM 1625 CB ILE A 103 53.468 -15.739 -6.588 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.371 -15.450 -5.386 1.00 12.42 C ATOM 1627 CG2 ILE A 103 52.708 -17.056 -6.392 1.00 5.55 C ATOM 1628 CD1 ILE A 103 53.630 -15.155 -4.093 1.00 2.12 C ATOM 0 H ILE A 103 54.551 -13.720 -7.626 1.00 3.21 H new ATOM 0 HA ILE A 103 55.081 -16.563 -7.741 1.00 52.20 H new ATOM 0 HB ILE A 103 52.727 -14.945 -6.683 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.026 -16.307 -5.226 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.010 -14.600 -5.625 1.00 12.42 H new ATOM 0 HG21 ILE A 103 52.109 -16.999 -5.483 1.00 5.55 H new ATOM 0 HG22 ILE A 103 52.054 -17.229 -7.247 1.00 5.55 H new ATOM 0 HG23 ILE A 103 53.419 -17.877 -6.307 1.00 5.55 H new ATOM 0 HD11 ILE A 103 54.349 -14.963 -3.297 1.00 2.12 H new ATOM 0 HD12 ILE A 103 52.996 -14.279 -4.229 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.012 -16.012 -3.824 1.00 2.12 H new ATOM 1640 N TYR A 104 52.728 -15.099 -9.534 1.00 40.11 N ATOM 1641 CA TYR A 104 51.869 -15.204 -10.699 1.00 44.15 C ATOM 1642 C TYR A 104 52.674 -15.552 -11.961 1.00 13.14 C ATOM 1643 O TYR A 104 52.219 -16.300 -12.817 1.00 40.12 O ATOM 1644 CB TYR A 104 51.046 -13.907 -10.848 1.00 10.23 C ATOM 1645 CG TYR A 104 50.927 -13.378 -12.249 1.00 54.34 C ATOM 1646 CD1 TYR A 104 49.941 -13.825 -13.111 1.00 23.41 C ATOM 1647 CD2 TYR A 104 51.820 -12.431 -12.699 1.00 54.33 C ATOM 1648 CE1 TYR A 104 49.854 -13.336 -14.397 1.00 54.14 C ATOM 1649 CE2 TYR A 104 51.748 -11.933 -13.978 1.00 5.31 C ATOM 1650 CZ TYR A 104 50.763 -12.388 -14.826 1.00 60.51 C ATOM 1651 OH TYR A 104 50.682 -11.895 -16.107 1.00 1.15 O ATOM 0 H TYR A 104 52.711 -14.178 -9.096 1.00 40.11 H new ATOM 0 HA TYR A 104 51.169 -16.028 -10.561 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.044 -14.086 -10.459 1.00 10.23 H new ATOM 0 HB3 TYR A 104 51.498 -13.136 -10.224 1.00 10.23 H new ATOM 0 HD1 TYR A 104 49.231 -14.565 -12.772 1.00 23.41 H new ATOM 0 HD2 TYR A 104 52.592 -12.073 -12.034 1.00 54.33 H new ATOM 0 HE1 TYR A 104 49.082 -13.691 -15.063 1.00 54.14 H new ATOM 0 HE2 TYR A 104 52.457 -11.192 -14.315 1.00 5.31 H new ATOM 0 HH TYR A 104 51.393 -11.236 -16.250 1.00 1.15 H new ATOM 1661 N ARG A 105 53.877 -15.024 -12.042 1.00 53.53 N ATOM 1662 CA ARG A 105 54.795 -15.283 -13.145 1.00 5.51 C ATOM 1663 C ARG A 105 55.271 -16.741 -13.116 1.00 13.24 C ATOM 1664 O ARG A 105 55.726 -17.293 -14.125 1.00 2.23 O ATOM 1665 CB ARG A 105 55.988 -14.315 -13.039 1.00 24.32 C ATOM 1666 CG ARG A 105 57.088 -14.500 -14.066 1.00 13.52 C ATOM 1667 CD ARG A 105 58.191 -13.476 -13.859 1.00 62.13 C ATOM 1668 NE ARG A 105 59.347 -13.738 -14.717 1.00 23.52 N ATOM 1669 CZ ARG A 105 60.381 -12.908 -14.896 1.00 63.44 C ATOM 1670 NH1 ARG A 105 60.344 -11.666 -14.410 1.00 4.40 N ATOM 1671 NH2 ARG A 105 61.438 -13.311 -15.588 1.00 43.11 N ATOM 0 H ARG A 105 54.256 -14.393 -11.336 1.00 53.53 H new ATOM 0 HA ARG A 105 54.283 -15.121 -14.094 1.00 5.51 H new ATOM 0 HB2 ARG A 105 55.611 -13.295 -13.119 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.425 -14.416 -12.046 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.500 -15.506 -13.989 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.676 -14.400 -15.070 1.00 13.52 H new ATOM 0 HD2 ARG A 105 57.804 -12.478 -14.066 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.504 -13.486 -12.815 1.00 62.13 H new ATOM 0 HE ARG A 105 59.366 -14.625 -15.219 1.00 23.52 H new ATOM 0 HH11 ARG A 105 59.523 -11.343 -13.898 1.00 4.40 H new ATOM 0 HH12 ARG A 105 61.136 -11.039 -14.551 1.00 4.40 H new ATOM 0 HH21 ARG A 105 61.461 -14.251 -15.982 1.00 43.11 H new ATOM 0 HH22 ARG A 105 62.228 -12.680 -15.726 1.00 43.11 H new ATOM 1685 N ASN A 106 55.126 -17.367 -11.977 1.00 14.40 N ATOM 1686 CA ASN A 106 55.603 -18.719 -11.808 1.00 75.13 C ATOM 1687 C ASN A 106 54.523 -19.745 -11.699 1.00 64.35 C ATOM 1688 O ASN A 106 54.788 -20.931 -11.500 1.00 43.10 O ATOM 1689 CB ASN A 106 56.598 -18.844 -10.694 1.00 32.11 C ATOM 1690 CG ASN A 106 57.930 -18.331 -11.125 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.662 -19.037 -11.770 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.267 -17.127 -10.768 1.00 61.11 N ATOM 0 H ASN A 106 54.682 -16.964 -11.152 1.00 14.40 H new ATOM 0 HA ASN A 106 56.123 -18.941 -12.740 1.00 75.13 H new ATOM 0 HB2 ASN A 106 56.251 -18.287 -9.824 1.00 32.11 H new ATOM 0 HB3 ASN A 106 56.684 -19.887 -10.390 1.00 32.11 H new ATOM 0 HD21 ASN A 106 59.177 -16.752 -11.034 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.621 -16.557 -10.222 1.00 61.11 H new ATOM 1699 N LEU A 107 53.327 -19.315 -11.849 1.00 34.24 N ATOM 1700 CA LEU A 107 52.224 -20.224 -11.914 1.00 22.31 C ATOM 1701 C LEU A 107 51.704 -20.169 -13.337 1.00 22.33 C ATOM 1702 O LEU A 107 52.059 -19.245 -14.084 1.00 3.21 O ATOM 1703 CB LEU A 107 51.152 -19.874 -10.850 1.00 10.31 C ATOM 1704 CG LEU A 107 50.386 -18.558 -11.019 1.00 32.14 C ATOM 1705 CD1 LEU A 107 49.147 -18.745 -11.858 1.00 53.04 C ATOM 1706 CD2 LEU A 107 50.040 -17.950 -9.685 1.00 33.10 C ATOM 0 H LEU A 107 53.075 -18.330 -11.931 1.00 34.24 H new ATOM 0 HA LEU A 107 52.524 -21.245 -11.679 1.00 22.31 H new ATOM 0 HB2 LEU A 107 50.424 -20.685 -10.827 1.00 10.31 H new ATOM 0 HB3 LEU A 107 51.640 -19.856 -9.875 1.00 10.31 H new ATOM 0 HG LEU A 107 51.045 -17.866 -11.544 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.628 -17.792 -11.958 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.428 -19.110 -12.846 1.00 53.04 H new ATOM 0 HD13 LEU A 107 48.488 -19.469 -11.378 1.00 53.04 H new ATOM 0 HD21 LEU A 107 49.497 -17.018 -9.840 1.00 33.10 H new ATOM 0 HD22 LEU A 107 49.417 -18.643 -9.120 1.00 33.10 H new ATOM 0 HD23 LEU A 107 50.955 -17.749 -9.129 1.00 33.10 H new ATOM 1718 N VAL A 108 50.896 -21.100 -13.740 1.00 63.11 N ATOM 1719 CA VAL A 108 50.456 -21.083 -15.122 1.00 1.01 C ATOM 1720 C VAL A 108 49.025 -20.600 -15.275 1.00 71.42 C ATOM 1721 O VAL A 108 48.087 -21.184 -14.732 1.00 31.43 O ATOM 1722 CB VAL A 108 50.718 -22.412 -15.914 1.00 35.03 C ATOM 1723 CG1 VAL A 108 52.203 -22.688 -16.019 1.00 45.42 C ATOM 1724 CG2 VAL A 108 50.026 -23.599 -15.290 1.00 72.10 C ATOM 0 H VAL A 108 50.532 -21.860 -13.165 1.00 63.11 H new ATOM 0 HA VAL A 108 51.102 -20.344 -15.597 1.00 1.01 H new ATOM 0 HB VAL A 108 50.301 -22.269 -16.911 1.00 35.03 H new ATOM 0 HG11 VAL A 108 52.363 -23.614 -16.572 1.00 45.42 H new ATOM 0 HG12 VAL A 108 52.690 -21.865 -16.542 1.00 45.42 H new ATOM 0 HG13 VAL A 108 52.627 -22.784 -15.019 1.00 45.42 H new ATOM 0 HG21 VAL A 108 50.239 -24.493 -15.876 1.00 72.10 H new ATOM 0 HG22 VAL A 108 50.388 -23.737 -14.271 1.00 72.10 H new ATOM 0 HG23 VAL A 108 48.950 -23.425 -15.272 1.00 72.10 H new ATOM 1794 N THR B 305 61.158 -9.489 11.355 1.00 33.52 N ATOM 1795 CA THR B 305 61.474 -10.859 11.105 1.00 3.31 C ATOM 1796 C THR B 305 60.734 -11.349 9.854 1.00 54.44 C ATOM 1797 O THR B 305 59.538 -11.028 9.645 1.00 34.54 O ATOM 1798 CB THR B 305 61.175 -11.762 12.353 1.00 43.20 C ATOM 1799 OG1 THR B 305 61.550 -13.125 12.117 1.00 13.01 O ATOM 1800 CG2 THR B 305 59.713 -11.713 12.754 1.00 31.13 C ATOM 0 HA THR B 305 62.545 -10.936 10.920 1.00 3.31 H new ATOM 0 HB THR B 305 61.775 -11.359 13.169 1.00 43.20 H new ATOM 0 HG1 THR B 305 62.330 -13.152 11.524 1.00 13.01 H new ATOM 0 HG21 THR B 305 59.552 -12.353 13.622 1.00 31.13 H new ATOM 0 HG22 THR B 305 59.438 -10.688 13.003 1.00 31.13 H new ATOM 0 HG23 THR B 305 59.097 -12.063 11.926 1.00 31.13 H new ATOM 1808 N PHE B 306 61.445 -12.123 9.029 1.00 23.43 N ATOM 1809 CA PHE B 306 60.926 -12.650 7.760 1.00 31.21 C ATOM 1810 C PHE B 306 59.676 -13.481 8.011 1.00 61.12 C ATOM 1811 O PHE B 306 58.712 -13.452 7.240 1.00 3.43 O ATOM 1812 CB PHE B 306 62.003 -13.500 7.059 1.00 53.41 C ATOM 1813 CG PHE B 306 61.602 -14.013 5.705 1.00 65.10 C ATOM 1814 CD1 PHE B 306 61.608 -13.174 4.610 1.00 42.23 C ATOM 1815 CD2 PHE B 306 61.211 -15.329 5.530 1.00 73.14 C ATOM 1816 CE1 PHE B 306 61.237 -13.634 3.370 1.00 4.02 C ATOM 1817 CE2 PHE B 306 60.836 -15.794 4.288 1.00 14.34 C ATOM 1818 CZ PHE B 306 60.850 -14.942 3.208 1.00 41.22 C ATOM 0 H PHE B 306 62.406 -12.405 9.223 1.00 23.43 H new ATOM 0 HA PHE B 306 60.665 -11.814 7.111 1.00 31.21 H new ATOM 0 HB2 PHE B 306 62.909 -12.903 6.955 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.252 -14.348 7.697 1.00 53.41 H new ATOM 0 HD1 PHE B 306 61.908 -12.143 4.729 1.00 42.23 H new ATOM 0 HD2 PHE B 306 61.200 -15.999 6.377 1.00 73.14 H new ATOM 0 HE1 PHE B 306 61.250 -12.966 2.521 1.00 4.02 H new ATOM 0 HE2 PHE B 306 60.532 -16.823 4.163 1.00 14.34 H new ATOM 0 HZ PHE B 306 60.557 -15.302 2.233 1.00 41.22 H new ATOM 1828 N GLU B 307 59.695 -14.144 9.135 1.00 22.24 N ATOM 1829 CA GLU B 307 58.645 -15.013 9.604 1.00 73.43 C ATOM 1830 C GLU B 307 57.302 -14.270 9.750 1.00 33.30 C ATOM 1831 O GLU B 307 56.242 -14.877 9.658 1.00 31.35 O ATOM 1832 CB GLU B 307 59.069 -15.526 10.968 1.00 34.14 C ATOM 1833 CG GLU B 307 58.158 -16.555 11.583 1.00 23.45 C ATOM 1834 CD GLU B 307 58.545 -16.858 12.997 1.00 64.23 C ATOM 1835 OE1 GLU B 307 59.617 -17.454 13.220 1.00 13.13 O ATOM 1836 OE2 GLU B 307 57.779 -16.502 13.918 1.00 53.15 O ATOM 0 H GLU B 307 60.482 -14.092 9.782 1.00 22.24 H new ATOM 0 HA GLU B 307 58.498 -15.818 8.884 1.00 73.43 H new ATOM 0 HB2 GLU B 307 60.067 -15.955 10.882 1.00 34.14 H new ATOM 0 HB3 GLU B 307 59.144 -14.678 11.649 1.00 34.14 H new ATOM 0 HG2 GLU B 307 57.130 -16.194 11.556 1.00 23.45 H new ATOM 0 HG3 GLU B 307 58.190 -17.470 10.992 1.00 23.45 H new ATOM 1843 N HIS B 308 57.351 -12.968 9.966 1.00 4.31 N ATOM 1844 CA HIS B 308 56.142 -12.233 10.256 1.00 63.23 C ATOM 1845 C HIS B 308 55.607 -11.522 9.029 1.00 43.42 C ATOM 1846 O HIS B 308 54.435 -11.608 8.724 1.00 4.03 O ATOM 1847 CB HIS B 308 56.404 -11.219 11.396 1.00 63.24 C ATOM 1848 CG HIS B 308 55.187 -10.479 11.923 1.00 24.31 C ATOM 1849 ND1 HIS B 308 54.677 -10.683 13.182 1.00 22.21 N ATOM 1850 CD2 HIS B 308 54.428 -9.498 11.380 1.00 2.42 C ATOM 1851 CE1 HIS B 308 53.671 -9.876 13.396 1.00 61.43 C ATOM 1852 NE2 HIS B 308 53.496 -9.140 12.316 1.00 65.13 N ATOM 0 H HIS B 308 58.203 -12.408 9.946 1.00 4.31 H new ATOM 0 HA HIS B 308 55.383 -12.948 10.574 1.00 63.23 H new ATOM 0 HB2 HIS B 308 56.870 -11.749 12.227 1.00 63.24 H new ATOM 0 HB3 HIS B 308 57.126 -10.484 11.042 1.00 63.24 H new ATOM 0 HD2 HIS B 308 54.538 -9.076 10.392 1.00 2.42 H new ATOM 0 HE1 HIS B 308 53.084 -9.822 14.301 1.00 61.43 H new ATOM 0 HE2 HIS B 308 52.782 -8.421 12.198 1.00 65.13 H new ATOM 1860 N LEU B 309 56.464 -10.846 8.316 1.00 64.14 N ATOM 1861 CA LEU B 309 55.986 -9.954 7.258 1.00 52.01 C ATOM 1862 C LEU B 309 55.742 -10.652 5.919 1.00 42.30 C ATOM 1863 O LEU B 309 54.997 -10.148 5.088 1.00 13.44 O ATOM 1864 CB LEU B 309 56.898 -8.709 7.111 1.00 30.00 C ATOM 1865 CG LEU B 309 58.221 -8.815 6.316 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.036 -7.574 6.538 1.00 10.42 C ATOM 1867 CD2 LEU B 309 59.043 -10.027 6.678 1.00 12.40 C ATOM 0 H LEU B 309 57.477 -10.882 8.431 1.00 64.14 H new ATOM 0 HA LEU B 309 55.002 -9.612 7.580 1.00 52.01 H new ATOM 0 HB2 LEU B 309 56.302 -7.922 6.648 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.149 -8.369 8.116 1.00 30.00 H new ATOM 0 HG LEU B 309 57.950 -8.922 5.266 1.00 51.22 H new ATOM 0 HD11 LEU B 309 59.969 -7.646 5.979 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.475 -6.704 6.197 1.00 10.42 H new ATOM 0 HD13 LEU B 309 59.257 -7.469 7.600 1.00 10.42 H new ATOM 0 HD21 LEU B 309 59.956 -10.038 6.083 1.00 12.40 H new ATOM 0 HD22 LEU B 309 59.300 -9.989 7.737 1.00 12.40 H new ATOM 0 HD23 LEU B 309 58.467 -10.930 6.476 1.00 12.40 H new ATOM 1879 N TRP B 310 56.316 -11.830 5.740 1.00 43.14 N ATOM 1880 CA TRP B 310 56.196 -12.538 4.480 1.00 14.01 C ATOM 1881 C TRP B 310 54.842 -13.219 4.384 1.00 31.23 C ATOM 1882 O TRP B 310 54.227 -13.270 3.335 1.00 14.12 O ATOM 1883 CB TRP B 310 57.353 -13.539 4.319 1.00 43.11 C ATOM 1884 CG TRP B 310 57.228 -14.456 3.139 1.00 74.31 C ATOM 1885 CD1 TRP B 310 56.874 -15.750 3.178 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.445 -14.148 1.758 1.00 15.41 C ATOM 1887 NE1 TRP B 310 56.856 -16.277 1.914 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.200 -15.324 1.027 1.00 2.52 C ATOM 1889 CE3 TRP B 310 57.816 -13.009 1.075 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.315 -15.391 -0.356 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 57.929 -13.067 -0.293 1.00 70.43 C ATOM 1892 CH2 TRP B 310 57.681 -14.252 -0.999 1.00 52.42 C ATOM 0 H TRP B 310 56.867 -12.313 6.449 1.00 43.14 H new ATOM 0 HA TRP B 310 56.262 -11.823 3.660 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.287 -12.983 4.233 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.423 -14.142 5.225 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.637 -16.298 4.078 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.619 -17.241 1.681 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.014 -12.089 1.605 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.122 -16.307 -0.895 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 58.216 -12.179 -0.837 1.00 70.43 H new ATOM 0 HH2 TRP B 310 57.783 -14.260 -2.074 1.00 52.42 H new ATOM 1903 N SER B 311 54.365 -13.670 5.498 1.00 14.42 N ATOM 1904 CA SER B 311 53.123 -14.364 5.576 1.00 14.14 C ATOM 1905 C SER B 311 51.957 -13.391 5.775 1.00 41.41 C ATOM 1906 O SER B 311 50.797 -13.786 5.845 1.00 31.14 O ATOM 1907 CB SER B 311 53.246 -15.315 6.730 1.00 42.43 C ATOM 1908 OG SER B 311 53.782 -14.630 7.859 1.00 14.24 O ATOM 0 H SER B 311 54.837 -13.564 6.396 1.00 14.42 H new ATOM 0 HA SER B 311 52.912 -14.900 4.650 1.00 14.14 H new ATOM 0 HB2 SER B 311 52.270 -15.733 6.975 1.00 42.43 H new ATOM 0 HB3 SER B 311 53.891 -16.150 6.459 1.00 42.43 H new ATOM 0 HG SER B 311 54.621 -15.057 8.133 1.00 14.24 H new ATOM 1914 N SER B 312 52.283 -12.134 5.878 1.00 1.11 N ATOM 1915 CA SER B 312 51.319 -11.111 6.139 1.00 11.44 C ATOM 1916 C SER B 312 51.258 -10.117 4.989 1.00 60.40 C ATOM 1917 O SER B 312 50.763 -8.993 5.152 1.00 41.34 O ATOM 1918 CB SER B 312 51.692 -10.410 7.432 1.00 21.31 C ATOM 1919 OG SER B 312 51.819 -11.354 8.500 1.00 22.34 O ATOM 0 H SER B 312 53.238 -11.790 5.781 1.00 1.11 H new ATOM 0 HA SER B 312 50.331 -11.560 6.236 1.00 11.44 H new ATOM 0 HB2 SER B 312 52.631 -9.872 7.302 1.00 21.31 H new ATOM 0 HB3 SER B 312 50.932 -9.670 7.683 1.00 21.31 H new ATOM 0 HG SER B 312 52.757 -11.408 8.779 1.00 22.34 H new ATOM 1925 N LEU B 313 51.724 -10.504 3.822 1.00 4.23 N ATOM 1926 CA LEU B 313 51.843 -9.518 2.782 1.00 14.51 C ATOM 1927 C LEU B 313 50.754 -9.627 1.750 1.00 52.23 C ATOM 1928 O LEU B 313 50.774 -8.922 0.735 1.00 52.02 O ATOM 1929 CB LEU B 313 53.265 -9.489 2.189 1.00 61.41 C ATOM 1930 CG LEU B 313 53.811 -10.744 1.506 1.00 1.40 C ATOM 1931 CD1 LEU B 313 53.168 -10.984 0.152 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.304 -10.628 1.370 1.00 23.23 C ATOM 0 H LEU B 313 52.014 -11.451 3.579 1.00 4.23 H new ATOM 0 HA LEU B 313 51.690 -8.541 3.241 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.302 -8.677 1.463 1.00 61.41 H new ATOM 0 HB3 LEU B 313 53.952 -9.228 2.994 1.00 61.41 H new ATOM 0 HG LEU B 313 53.564 -11.604 2.129 1.00 1.40 H new ATOM 0 HD11 LEU B 313 53.587 -11.886 -0.295 1.00 73.31 H new ATOM 0 HD12 LEU B 313 52.092 -11.107 0.277 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.363 -10.132 -0.499 1.00 73.31 H new ATOM 0 HD21 LEU B 313 55.696 -11.521 0.883 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.548 -9.751 0.770 1.00 23.23 H new ATOM 0 HD23 LEU B 313 55.753 -10.527 2.358 1.00 23.23 H new ATOM 1944 N GLU B 314 49.791 -10.468 2.016 1.00 50.02 N ATOM 1945 CA GLU B 314 48.704 -10.642 1.116 1.00 22.11 C ATOM 1946 C GLU B 314 47.665 -9.532 1.400 1.00 24.03 C ATOM 1947 O GLU B 314 47.660 -8.953 2.498 1.00 52.11 O ATOM 1948 CB GLU B 314 48.078 -12.061 1.227 1.00 41.12 C ATOM 1949 CG GLU B 314 47.257 -12.313 2.469 1.00 31.33 C ATOM 1950 CD GLU B 314 48.016 -12.646 3.709 1.00 73.45 C ATOM 1951 OE1 GLU B 314 48.684 -11.767 4.254 1.00 40.53 O ATOM 1952 OE2 GLU B 314 47.851 -13.770 4.217 1.00 13.23 O ATOM 0 H GLU B 314 49.745 -11.043 2.857 1.00 50.02 H new ATOM 0 HA GLU B 314 49.062 -10.558 0.090 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.447 -12.230 0.355 1.00 41.12 H new ATOM 0 HB3 GLU B 314 48.881 -12.797 1.187 1.00 41.12 H new ATOM 0 HG2 GLU B 314 46.654 -11.427 2.665 1.00 31.33 H new ATOM 0 HG3 GLU B 314 46.566 -13.130 2.262 1.00 31.33 H new ATOM 1959 N PRO B 315 46.806 -9.194 0.424 1.00 10.45 N ATOM 1960 CA PRO B 315 45.809 -8.122 0.580 1.00 54.32 C ATOM 1961 C PRO B 315 44.811 -8.395 1.670 1.00 3.22 C ATOM 1962 O PRO B 315 44.310 -7.476 2.338 1.00 2.51 O ATOM 1963 CB PRO B 315 45.111 -8.055 -0.777 1.00 25.23 C ATOM 1964 CG PRO B 315 45.456 -9.323 -1.478 1.00 44.42 C ATOM 1965 CD PRO B 315 46.762 -9.797 -0.914 1.00 62.12 C ATOM 0 HA PRO B 315 46.288 -7.187 0.871 1.00 54.32 H new ATOM 0 HB2 PRO B 315 44.032 -7.957 -0.657 1.00 25.23 H new ATOM 0 HB3 PRO B 315 45.448 -7.189 -1.347 1.00 25.23 H new ATOM 0 HG2 PRO B 315 44.677 -10.071 -1.327 1.00 44.42 H new ATOM 0 HG3 PRO B 315 45.537 -9.159 -2.553 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.805 -10.885 -0.864 1.00 62.12 H new ATOM 0 HD3 PRO B 315 47.603 -9.473 -1.527 1.00 62.12 H new ATOM 1973 N ASP B 316 44.545 -9.623 1.854 1.00 41.21 N ATOM 1974 CA ASP B 316 43.584 -10.069 2.799 1.00 41.22 C ATOM 1975 C ASP B 316 43.974 -11.442 3.275 1.00 10.30 C ATOM 1976 O ASP B 316 44.436 -11.591 4.415 1.00 0.00 O ATOM 1977 CB ASP B 316 42.218 -10.062 2.131 1.00 11.05 C ATOM 1978 CG ASP B 316 41.128 -10.737 2.931 1.00 61.13 C ATOM 1979 OD1 ASP B 316 40.624 -10.136 3.892 1.00 52.21 O ATOM 1980 OD2 ASP B 316 40.728 -11.880 2.595 1.00 1.52 O ATOM 1981 OXT ASP B 316 43.944 -12.368 2.469 1.00 0.00 O ATOM 0 H ASP B 316 44.999 -10.378 1.340 1.00 41.21 H new ATOM 0 HA ASP B 316 43.542 -9.414 3.669 1.00 41.22 H new ATOM 0 HB2 ASP B 316 41.926 -9.029 1.941 1.00 11.05 H new ATOM 0 HB3 ASP B 316 42.298 -10.554 1.162 1.00 11.05 H new