USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=26 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 308 HIS : no HD1:sc= -0.0813 X(o=1.1,f=1.2) USER MOD Set 1.2: B 312 SER OG : rot 77:sc= 1.21 USER MOD Set 2.1: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 72 GLN : amide:sc= -3.68! C(o=-2.2!,f=-2.5!) USER MOD Set 2.3: B 305 THR OG1 : rot -166:sc= 1.48 USER MOD Set 3.1: A 60 TYR OH : rot 165:sc= 0.575 USER MOD Set 3.2: A 64 LYS NZ :NH3+ -151:sc= 1.19 (180deg=0.645) USER MOD Single : A 31 LYS NZ :NH3+ 137:sc= 1.18 (180deg=0.0638) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 84:sc= 1.2 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -160:sc= 0 USER MOD Single : A 48 TYR OH : rot 72:sc= 1.22 USER MOD Single : A 49 THR OG1 : rot 180:sc= -2.13! USER MOD Single : A 50 MET CE :methyl 150:sc= -1.02 (180deg=-2.86!) USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= 1.54 (180deg=1.08) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.238 K(o=0.24,f=-0.36) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : 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= 0.805 K(o=0.8,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 8:sc= -2.05 USER MOD Single : A 78 SER OG : rot -60:sc= 1.25 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 20:sc= 0.942 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= -0.0257 (180deg=-0.155) USER MOD Single : A 96 HIS : no HD1:sc= -0.824 K(o=-0.82,f=-0.21) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= 1 (180deg=0.436) USER MOD Single : A 100 TYR OH : rot 63:sc= 0.51 USER MOD Single : A 101 THR OG1 : rot -80:sc= 0.253 USER MOD Single : A 102 MET CE :methyl -170:sc= -0.367 (180deg=-0.662) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.448 K(o=-0.45,f=-4.3!) USER MOD Single : B 311 SER OG : rot 109:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 333 N LEU A 27 43.584 -20.141 -5.797 1.00 5.11 N ATOM 334 CA LEU A 27 44.429 -21.283 -6.053 1.00 60.50 C ATOM 335 C LEU A 27 45.272 -21.044 -7.278 1.00 75.55 C ATOM 336 O LEU A 27 44.765 -20.643 -8.340 1.00 13.21 O ATOM 337 CB LEU A 27 43.621 -22.568 -6.252 1.00 70.13 C ATOM 338 CG LEU A 27 42.899 -23.134 -5.035 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.101 -24.344 -5.442 1.00 0.21 C ATOM 340 CD2 LEU A 27 43.893 -23.529 -3.960 1.00 40.21 C ATOM 0 HA LEU A 27 45.063 -21.410 -5.175 1.00 60.50 H new ATOM 0 HB2 LEU A 27 42.879 -22.383 -7.029 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.296 -23.336 -6.631 1.00 70.13 H new ATOM 0 HG LEU A 27 42.235 -22.367 -4.636 1.00 24.53 H new ATOM 0 HD11 LEU A 27 41.585 -24.749 -4.572 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.369 -24.060 -6.198 1.00 0.21 H new ATOM 0 HD13 LEU A 27 42.771 -25.101 -5.851 1.00 0.21 H new ATOM 0 HD21 LEU A 27 43.358 -23.931 -3.100 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.571 -24.287 -4.352 1.00 40.21 H new ATOM 0 HD23 LEU A 27 44.466 -22.653 -3.655 1.00 40.21 H new ATOM 352 N VAL A 28 46.529 -21.276 -7.126 1.00 40.25 N ATOM 353 CA VAL A 28 47.491 -21.155 -8.168 1.00 11.42 C ATOM 354 C VAL A 28 48.082 -22.515 -8.422 1.00 51.22 C ATOM 355 O VAL A 28 48.067 -23.389 -7.536 1.00 23.41 O ATOM 356 CB VAL A 28 48.596 -20.140 -7.788 1.00 72.31 C ATOM 357 CG1 VAL A 28 47.991 -18.752 -7.592 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.361 -20.565 -6.531 1.00 61.10 C ATOM 0 H VAL A 28 46.933 -21.567 -6.236 1.00 40.25 H new ATOM 0 HA VAL A 28 47.009 -20.783 -9.072 1.00 11.42 H new ATOM 0 HB VAL A 28 49.310 -20.112 -8.611 1.00 72.31 H new ATOM 0 HG11 VAL A 28 48.778 -18.047 -7.325 1.00 1.12 H new ATOM 0 HG12 VAL A 28 47.513 -18.429 -8.517 1.00 1.12 H new ATOM 0 HG13 VAL A 28 47.250 -18.788 -6.794 1.00 1.12 H new ATOM 0 HG21 VAL A 28 50.126 -19.823 -6.302 1.00 61.10 H new ATOM 0 HG22 VAL A 28 48.669 -20.643 -5.693 1.00 61.10 H new ATOM 0 HG23 VAL A 28 49.833 -21.532 -6.702 1.00 61.10 H new ATOM 368 N ARG A 29 48.552 -22.725 -9.607 1.00 35.24 N ATOM 369 CA ARG A 29 49.105 -24.003 -9.970 1.00 74.24 C ATOM 370 C ARG A 29 50.573 -23.808 -10.233 1.00 40.32 C ATOM 371 O ARG A 29 50.939 -23.224 -11.240 1.00 20.51 O ATOM 372 CB ARG A 29 48.414 -24.532 -11.216 1.00 11.01 C ATOM 373 CG ARG A 29 46.906 -24.553 -11.107 1.00 63.52 C ATOM 374 CD ARG A 29 46.276 -24.987 -12.401 1.00 40.33 C ATOM 375 NE ARG A 29 44.826 -24.797 -12.391 1.00 65.21 N ATOM 376 CZ ARG A 29 44.038 -24.992 -13.448 1.00 15.23 C ATOM 377 NH1 ARG A 29 44.550 -25.485 -14.576 1.00 52.24 N ATOM 378 NH2 ARG A 29 42.741 -24.703 -13.372 1.00 32.15 N ATOM 0 H ARG A 29 48.567 -22.027 -10.351 1.00 35.24 H new ATOM 0 HA ARG A 29 48.957 -24.726 -9.168 1.00 74.24 H new ATOM 0 HB2 ARG A 29 48.700 -23.917 -12.069 1.00 11.01 H new ATOM 0 HB3 ARG A 29 48.770 -25.542 -11.418 1.00 11.01 H new ATOM 0 HG2 ARG A 29 46.605 -25.230 -10.308 1.00 63.52 H new ATOM 0 HG3 ARG A 29 46.544 -23.561 -10.837 1.00 63.52 H new ATOM 0 HD2 ARG A 29 46.711 -24.421 -13.225 1.00 40.33 H new ATOM 0 HD3 ARG A 29 46.503 -26.038 -12.581 1.00 40.33 H new ATOM 0 HE ARG A 29 44.390 -24.496 -11.519 1.00 65.21 H new ATOM 0 HH11 ARG A 29 45.543 -25.712 -14.629 1.00 52.24 H new ATOM 0 HH12 ARG A 29 43.949 -25.635 -15.386 1.00 52.24 H new ATOM 0 HH21 ARG A 29 42.351 -24.333 -12.505 1.00 32.15 H new ATOM 0 HH22 ARG A 29 42.137 -24.852 -14.180 1.00 32.15 H new ATOM 392 N PRO A 30 51.432 -24.222 -9.319 1.00 1.41 N ATOM 393 CA PRO A 30 52.855 -23.995 -9.452 1.00 43.14 C ATOM 394 C PRO A 30 53.503 -24.900 -10.493 1.00 24.23 C ATOM 395 O PRO A 30 53.122 -26.072 -10.648 1.00 23.12 O ATOM 396 CB PRO A 30 53.392 -24.320 -8.059 1.00 54.02 C ATOM 397 CG PRO A 30 52.446 -25.328 -7.523 1.00 53.23 C ATOM 398 CD PRO A 30 51.098 -24.966 -8.083 1.00 55.33 C ATOM 0 HA PRO A 30 53.072 -22.982 -9.789 1.00 43.14 H new ATOM 0 HB2 PRO A 30 54.407 -24.714 -8.107 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.424 -23.431 -7.429 1.00 54.02 H new ATOM 0 HG2 PRO A 30 52.736 -26.335 -7.823 1.00 53.23 H new ATOM 0 HG3 PRO A 30 52.434 -25.312 -6.433 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.500 -25.852 -8.296 1.00 55.33 H new ATOM 0 HD3 PRO A 30 50.524 -24.354 -7.387 1.00 55.33 H new ATOM 406 N LYS A 31 54.462 -24.343 -11.218 1.00 71.41 N ATOM 407 CA LYS A 31 55.274 -25.106 -12.150 1.00 13.12 C ATOM 408 C LYS A 31 56.120 -26.096 -11.331 1.00 60.43 C ATOM 409 O LYS A 31 56.297 -25.877 -10.124 1.00 12.54 O ATOM 410 CB LYS A 31 56.169 -24.136 -12.962 1.00 45.42 C ATOM 411 CG LYS A 31 55.383 -23.216 -13.890 1.00 33.03 C ATOM 412 CD LYS A 31 56.279 -22.193 -14.580 1.00 44.22 C ATOM 413 CE LYS A 31 55.461 -21.269 -15.472 1.00 72.11 C ATOM 414 NZ LYS A 31 56.286 -20.227 -16.126 1.00 53.45 N ATOM 0 H LYS A 31 54.698 -23.351 -11.176 1.00 71.41 H new ATOM 0 HA LYS A 31 54.655 -25.658 -12.857 1.00 13.12 H new ATOM 0 HB2 LYS A 31 56.753 -23.529 -12.271 1.00 45.42 H new ATOM 0 HB3 LYS A 31 56.877 -24.717 -13.553 1.00 45.42 H new ATOM 0 HG2 LYS A 31 54.870 -23.814 -14.643 1.00 33.03 H new ATOM 0 HG3 LYS A 31 54.614 -22.696 -13.318 1.00 33.03 H new ATOM 0 HD2 LYS A 31 56.811 -21.606 -13.831 1.00 44.22 H new ATOM 0 HD3 LYS A 31 57.033 -22.707 -15.176 1.00 44.22 H new ATOM 0 HE2 LYS A 31 54.958 -21.861 -16.237 1.00 72.11 H new ATOM 0 HE3 LYS A 31 54.684 -20.790 -14.876 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 55.999 -20.131 -17.121 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 56.150 -19.319 -15.637 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 57.289 -20.498 -16.080 1.00 53.45 H new ATOM 428 N PRO A 32 56.672 -27.177 -11.946 1.00 4.31 N ATOM 429 CA PRO A 32 57.429 -28.237 -11.224 1.00 5.12 C ATOM 430 C PRO A 32 58.550 -27.694 -10.333 1.00 74.20 C ATOM 431 O PRO A 32 58.888 -28.289 -9.319 1.00 50.13 O ATOM 432 CB PRO A 32 58.017 -29.088 -12.363 1.00 54.05 C ATOM 433 CG PRO A 32 57.918 -28.217 -13.559 1.00 52.24 C ATOM 434 CD PRO A 32 56.629 -27.482 -13.385 1.00 71.25 C ATOM 0 HA PRO A 32 56.783 -28.784 -10.538 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.051 -29.367 -12.158 1.00 54.05 H new ATOM 0 HB3 PRO A 32 57.458 -30.014 -12.498 1.00 54.05 H new ATOM 0 HG2 PRO A 32 58.761 -27.529 -13.619 1.00 52.24 H new ATOM 0 HG3 PRO A 32 57.919 -28.804 -14.478 1.00 52.24 H new ATOM 0 HD2 PRO A 32 56.582 -26.581 -13.996 1.00 71.25 H new ATOM 0 HD3 PRO A 32 55.767 -28.093 -13.652 1.00 71.25 H new ATOM 442 N LEU A 33 59.078 -26.546 -10.699 1.00 43.22 N ATOM 443 CA LEU A 33 60.138 -25.907 -9.950 1.00 61.34 C ATOM 444 C LEU A 33 59.609 -25.418 -8.590 1.00 33.42 C ATOM 445 O LEU A 33 60.234 -25.593 -7.541 1.00 21.42 O ATOM 446 CB LEU A 33 60.716 -24.752 -10.766 1.00 61.22 C ATOM 447 CG LEU A 33 61.236 -25.138 -12.159 1.00 51.04 C ATOM 448 CD1 LEU A 33 61.747 -23.926 -12.906 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.322 -26.195 -12.055 1.00 21.44 C ATOM 0 H LEU A 33 58.783 -26.028 -11.527 1.00 43.22 H new ATOM 0 HA LEU A 33 60.933 -26.627 -9.758 1.00 61.34 H new ATOM 0 HB2 LEU A 33 59.948 -23.988 -10.881 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.533 -24.301 -10.202 1.00 61.22 H new ATOM 0 HG LEU A 33 60.401 -25.555 -12.722 1.00 51.04 H new ATOM 0 HD11 LEU A 33 62.109 -24.230 -13.888 1.00 51.51 H new ATOM 0 HD12 LEU A 33 60.939 -23.204 -13.024 1.00 51.51 H new ATOM 0 HD13 LEU A 33 62.562 -23.470 -12.345 1.00 51.51 H new ATOM 0 HD21 LEU A 33 62.675 -26.453 -13.053 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.152 -25.807 -11.465 1.00 21.44 H new ATOM 0 HD23 LEU A 33 61.919 -27.085 -11.572 1.00 21.44 H new ATOM 461 N LEU A 34 58.436 -24.859 -8.599 1.00 3.45 N ATOM 462 CA LEU A 34 57.836 -24.420 -7.369 1.00 64.14 C ATOM 463 C LEU A 34 57.283 -25.607 -6.641 1.00 22.24 C ATOM 464 O LEU A 34 57.418 -25.710 -5.447 1.00 75.12 O ATOM 465 CB LEU A 34 56.771 -23.332 -7.573 1.00 35.35 C ATOM 466 CG LEU A 34 57.278 -21.901 -7.820 1.00 62.21 C ATOM 467 CD1 LEU A 34 58.130 -21.810 -9.071 1.00 72.03 C ATOM 468 CD2 LEU A 34 56.109 -20.929 -7.895 1.00 52.54 C ATOM 0 H LEU A 34 57.877 -24.696 -9.436 1.00 3.45 H new ATOM 0 HA LEU A 34 58.612 -23.951 -6.764 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.147 -23.622 -8.419 1.00 35.35 H new ATOM 0 HB3 LEU A 34 56.128 -23.317 -6.693 1.00 35.35 H new ATOM 0 HG LEU A 34 57.911 -21.627 -6.976 1.00 62.21 H new ATOM 0 HD11 LEU A 34 58.467 -20.782 -9.208 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.995 -22.465 -8.970 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.541 -22.117 -9.935 1.00 72.03 H new ATOM 0 HD21 LEU A 34 56.485 -19.921 -8.070 1.00 52.54 H new ATOM 0 HD22 LEU A 34 55.448 -21.217 -8.713 1.00 52.54 H new ATOM 0 HD23 LEU A 34 55.556 -20.952 -6.956 1.00 52.54 H new ATOM 480 N LEU A 35 56.721 -26.534 -7.390 1.00 65.12 N ATOM 481 CA LEU A 35 56.182 -27.762 -6.843 1.00 5.32 C ATOM 482 C LEU A 35 57.252 -28.532 -6.052 1.00 54.41 C ATOM 483 O LEU A 35 56.976 -29.043 -4.958 1.00 53.44 O ATOM 484 CB LEU A 35 55.633 -28.620 -7.965 1.00 2.42 C ATOM 485 CG LEU A 35 54.892 -29.880 -7.543 1.00 12.12 C ATOM 486 CD1 LEU A 35 53.693 -29.540 -6.666 1.00 24.24 C ATOM 487 CD2 LEU A 35 54.444 -30.622 -8.765 1.00 71.40 C ATOM 0 H LEU A 35 56.625 -26.456 -8.402 1.00 65.12 H new ATOM 0 HA LEU A 35 55.376 -27.512 -6.154 1.00 5.32 H new ATOM 0 HB2 LEU A 35 54.958 -28.010 -8.565 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.461 -28.909 -8.612 1.00 2.42 H new ATOM 0 HG LEU A 35 55.567 -30.507 -6.960 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.181 -30.458 -6.378 1.00 24.24 H new ATOM 0 HD12 LEU A 35 54.033 -29.018 -5.771 1.00 24.24 H new ATOM 0 HD13 LEU A 35 53.007 -28.900 -7.220 1.00 24.24 H new ATOM 0 HD21 LEU A 35 53.912 -31.526 -8.467 1.00 71.40 H new ATOM 0 HD22 LEU A 35 53.781 -29.988 -9.353 1.00 71.40 H new ATOM 0 HD23 LEU A 35 55.313 -30.893 -9.365 1.00 71.40 H new ATOM 499 N LYS A 36 58.483 -28.581 -6.583 1.00 42.34 N ATOM 500 CA LYS A 36 59.566 -29.257 -5.889 1.00 34.14 C ATOM 501 C LYS A 36 59.931 -28.518 -4.608 1.00 62.12 C ATOM 502 O LYS A 36 60.248 -29.144 -3.615 1.00 31.42 O ATOM 503 CB LYS A 36 60.829 -29.465 -6.763 1.00 22.41 C ATOM 504 CG LYS A 36 61.545 -28.184 -7.162 1.00 43.13 C ATOM 505 CD LYS A 36 62.833 -28.423 -7.937 1.00 75.31 C ATOM 506 CE LYS A 36 63.886 -29.131 -7.093 1.00 21.21 C ATOM 507 NZ LYS A 36 65.157 -29.306 -7.827 1.00 23.02 N ATOM 0 H LYS A 36 58.742 -28.165 -7.477 1.00 42.34 H new ATOM 0 HA LYS A 36 59.190 -30.250 -5.645 1.00 34.14 H new ATOM 0 HB2 LYS A 36 61.528 -30.102 -6.221 1.00 22.41 H new ATOM 0 HB3 LYS A 36 60.544 -30.002 -7.667 1.00 22.41 H new ATOM 0 HG2 LYS A 36 60.874 -27.576 -7.768 1.00 43.13 H new ATOM 0 HG3 LYS A 36 61.772 -27.610 -6.264 1.00 43.13 H new ATOM 0 HD2 LYS A 36 62.617 -29.020 -8.823 1.00 75.31 H new ATOM 0 HD3 LYS A 36 63.229 -27.469 -8.285 1.00 75.31 H new ATOM 0 HE2 LYS A 36 64.068 -28.557 -6.184 1.00 21.21 H new ATOM 0 HE3 LYS A 36 63.508 -30.106 -6.784 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 65.846 -29.791 -7.218 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 64.989 -29.875 -8.681 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 65.532 -28.375 -8.099 1.00 23.02 H new ATOM 521 N LEU A 37 59.841 -27.188 -4.609 1.00 21.34 N ATOM 522 CA LEU A 37 60.198 -26.461 -3.395 1.00 4.13 C ATOM 523 C LEU A 37 59.068 -26.632 -2.371 1.00 55.22 C ATOM 524 O LEU A 37 59.311 -26.875 -1.192 1.00 44.31 O ATOM 525 CB LEU A 37 60.555 -24.956 -3.678 1.00 20.40 C ATOM 526 CG LEU A 37 59.423 -23.902 -3.829 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.930 -23.413 -2.460 1.00 0.31 C ATOM 528 CD2 LEU A 37 59.904 -22.728 -4.669 1.00 24.22 C ATOM 0 H LEU A 37 59.539 -26.616 -5.397 1.00 21.34 H new ATOM 0 HA LEU A 37 61.112 -26.882 -2.977 1.00 4.13 H new ATOM 0 HB2 LEU A 37 61.205 -24.620 -2.870 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.146 -24.930 -4.594 1.00 20.40 H new ATOM 0 HG LEU A 37 58.584 -24.380 -4.336 1.00 70.33 H new ATOM 0 HD11 LEU A 37 58.139 -22.677 -2.600 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.543 -24.258 -1.890 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.758 -22.957 -1.917 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.101 -21.997 -4.767 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.762 -22.262 -4.185 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.194 -23.083 -5.658 1.00 24.22 H new ATOM 540 N LEU A 38 57.843 -26.567 -2.881 1.00 2.01 N ATOM 541 CA LEU A 38 56.610 -26.714 -2.120 1.00 62.52 C ATOM 542 C LEU A 38 56.559 -28.042 -1.378 1.00 61.11 C ATOM 543 O LEU A 38 56.443 -28.080 -0.151 1.00 21.21 O ATOM 544 CB LEU A 38 55.393 -26.613 -3.079 1.00 42.14 C ATOM 545 CG LEU A 38 54.692 -25.239 -3.275 1.00 23.53 C ATOM 546 CD1 LEU A 38 53.829 -24.909 -2.086 1.00 63.33 C ATOM 547 CD2 LEU A 38 55.672 -24.105 -3.503 1.00 34.23 C ATOM 0 H LEU A 38 57.677 -26.404 -3.874 1.00 2.01 H new ATOM 0 HA LEU A 38 56.577 -25.914 -1.381 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.719 -26.957 -4.060 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.640 -27.318 -2.728 1.00 42.14 H new ATOM 0 HG LEU A 38 54.079 -25.337 -4.171 1.00 23.53 H new ATOM 0 HD11 LEU A 38 53.347 -23.944 -2.243 1.00 63.33 H new ATOM 0 HD12 LEU A 38 53.067 -25.679 -1.964 1.00 63.33 H new ATOM 0 HD13 LEU A 38 54.447 -24.865 -1.189 1.00 63.33 H new ATOM 0 HD21 LEU A 38 55.124 -23.172 -3.633 1.00 34.23 H new ATOM 0 HD22 LEU A 38 56.336 -24.019 -2.643 1.00 34.23 H new ATOM 0 HD23 LEU A 38 56.261 -24.308 -4.397 1.00 34.23 H new ATOM 559 N LYS A 39 56.685 -29.133 -2.096 1.00 4.41 N ATOM 560 CA LYS A 39 56.501 -30.419 -1.484 1.00 72.50 C ATOM 561 C LYS A 39 57.700 -30.807 -0.627 1.00 71.11 C ATOM 562 O LYS A 39 57.564 -31.578 0.318 1.00 23.23 O ATOM 563 CB LYS A 39 56.108 -31.483 -2.513 1.00 34.33 C ATOM 564 CG LYS A 39 55.643 -32.797 -1.899 1.00 51.34 C ATOM 565 CD LYS A 39 54.982 -33.698 -2.930 1.00 50.31 C ATOM 566 CE LYS A 39 54.513 -34.991 -2.295 1.00 14.03 C ATOM 567 NZ LYS A 39 53.705 -35.820 -3.218 1.00 31.25 N ATOM 0 H LYS A 39 56.911 -29.153 -3.090 1.00 4.41 H new ATOM 0 HA LYS A 39 55.657 -30.350 -0.797 1.00 72.50 H new ATOM 0 HB2 LYS A 39 55.312 -31.087 -3.144 1.00 34.33 H new ATOM 0 HB3 LYS A 39 56.962 -31.679 -3.162 1.00 34.33 H new ATOM 0 HG2 LYS A 39 56.495 -33.314 -1.457 1.00 51.34 H new ATOM 0 HG3 LYS A 39 54.941 -32.592 -1.091 1.00 51.34 H new ATOM 0 HD2 LYS A 39 54.135 -33.181 -3.381 1.00 50.31 H new ATOM 0 HD3 LYS A 39 55.686 -33.917 -3.733 1.00 50.31 H new ATOM 0 HE2 LYS A 39 55.379 -35.563 -1.963 1.00 14.03 H new ATOM 0 HE3 LYS A 39 53.923 -34.762 -1.408 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 53.410 -36.692 -2.734 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 52.863 -35.288 -3.516 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 54.274 -36.064 -4.054 1.00 31.25 H new ATOM 581 N SER A 40 58.847 -30.206 -0.892 1.00 51.14 N ATOM 582 CA SER A 40 60.012 -30.473 -0.083 1.00 42.10 C ATOM 583 C SER A 40 59.875 -29.849 1.319 1.00 14.45 C ATOM 584 O SER A 40 60.472 -30.330 2.284 1.00 42.43 O ATOM 585 CB SER A 40 61.286 -30.005 -0.774 1.00 12.23 C ATOM 586 OG SER A 40 61.500 -30.734 -1.983 1.00 61.15 O ATOM 0 H SER A 40 58.991 -29.540 -1.651 1.00 51.14 H new ATOM 0 HA SER A 40 60.084 -31.553 0.043 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.217 -28.940 -0.993 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.138 -30.139 -0.107 1.00 12.23 H new ATOM 0 HG SER A 40 60.985 -30.323 -2.709 1.00 61.15 H new ATOM 592 N VAL A 41 59.054 -28.813 1.437 1.00 11.22 N ATOM 593 CA VAL A 41 58.842 -28.168 2.725 1.00 71.41 C ATOM 594 C VAL A 41 57.535 -28.619 3.389 1.00 64.32 C ATOM 595 O VAL A 41 57.082 -28.019 4.365 1.00 51.12 O ATOM 596 CB VAL A 41 58.941 -26.621 2.663 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.358 -26.196 2.310 1.00 44.32 C ATOM 598 CG2 VAL A 41 57.964 -26.050 1.657 1.00 74.11 C ATOM 0 H VAL A 41 58.529 -28.405 0.664 1.00 11.22 H new ATOM 0 HA VAL A 41 59.666 -28.502 3.356 1.00 71.41 H new ATOM 0 HB VAL A 41 58.685 -26.229 3.648 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.412 -25.108 2.270 1.00 44.32 H new ATOM 0 HG12 VAL A 41 61.048 -26.566 3.068 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.630 -26.609 1.339 1.00 44.32 H new ATOM 0 HG21 VAL A 41 58.057 -24.964 1.636 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.183 -26.452 0.668 1.00 74.11 H new ATOM 0 HG23 VAL A 41 56.948 -26.322 1.942 1.00 74.11 H new ATOM 608 N GLY A 42 56.948 -29.681 2.860 1.00 13.41 N ATOM 609 CA GLY A 42 55.792 -30.274 3.504 1.00 34.34 C ATOM 610 C GLY A 42 54.456 -29.951 2.864 1.00 74.23 C ATOM 611 O GLY A 42 53.433 -29.939 3.551 1.00 22.34 O ATOM 0 H GLY A 42 57.248 -30.142 2.001 1.00 13.41 H new ATOM 0 HA2 GLY A 42 55.919 -31.357 3.515 1.00 34.34 H new ATOM 0 HA3 GLY A 42 55.767 -29.945 4.543 1.00 34.34 H new ATOM 615 N ALA A 43 54.442 -29.663 1.577 1.00 52.43 N ATOM 616 CA ALA A 43 53.173 -29.440 0.879 1.00 31.35 C ATOM 617 C ALA A 43 52.470 -30.761 0.646 1.00 13.11 C ATOM 618 O ALA A 43 53.121 -31.806 0.493 1.00 2.23 O ATOM 619 CB ALA A 43 53.379 -28.708 -0.418 1.00 2.41 C ATOM 0 H ALA A 43 55.275 -29.577 0.994 1.00 52.43 H new ATOM 0 HA ALA A 43 52.544 -28.812 1.510 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.417 -28.560 -0.909 1.00 2.41 H new ATOM 0 HB2 ALA A 43 53.839 -27.740 -0.220 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.031 -29.293 -1.067 1.00 2.41 H new ATOM 625 N GLN A 44 51.163 -30.734 0.637 1.00 11.11 N ATOM 626 CA GLN A 44 50.392 -31.960 0.548 1.00 14.10 C ATOM 627 C GLN A 44 49.431 -31.943 -0.635 1.00 41.31 C ATOM 628 O GLN A 44 49.232 -32.962 -1.295 1.00 14.35 O ATOM 629 CB GLN A 44 49.599 -32.155 1.838 1.00 34.11 C ATOM 630 CG GLN A 44 50.443 -32.069 3.103 1.00 12.52 C ATOM 631 CD GLN A 44 49.624 -32.250 4.345 1.00 43.54 C ATOM 632 OE1 GLN A 44 49.100 -31.284 4.910 1.00 52.22 O ATOM 633 NE2 GLN A 44 49.498 -33.459 4.783 1.00 5.12 N ATOM 0 H GLN A 44 50.605 -29.882 0.690 1.00 11.11 H new ATOM 0 HA GLN A 44 51.091 -32.783 0.401 1.00 14.10 H new ATOM 0 HB2 GLN A 44 48.813 -31.402 1.886 1.00 34.11 H new ATOM 0 HB3 GLN A 44 49.108 -33.127 1.807 1.00 34.11 H new ATOM 0 HG2 GLN A 44 51.222 -32.830 3.070 1.00 12.52 H new ATOM 0 HG3 GLN A 44 50.944 -31.102 3.138 1.00 12.52 H new ATOM 0 HE21 GLN A 44 49.946 -34.230 4.288 1.00 5.12 H new ATOM 0 HE22 GLN A 44 48.950 -33.642 5.624 1.00 5.12 H new ATOM 642 N LYS A 45 48.884 -30.784 -0.931 1.00 34.22 N ATOM 643 CA LYS A 45 47.855 -30.664 -1.947 1.00 1.22 C ATOM 644 C LYS A 45 48.481 -30.466 -3.308 1.00 34.45 C ATOM 645 O LYS A 45 49.694 -30.292 -3.418 1.00 73.42 O ATOM 646 CB LYS A 45 46.929 -29.488 -1.622 1.00 41.14 C ATOM 647 CG LYS A 45 46.218 -29.610 -0.279 1.00 41.43 C ATOM 648 CD LYS A 45 45.375 -28.377 0.043 1.00 52.41 C ATOM 649 CE LYS A 45 44.237 -28.179 -0.944 1.00 2.42 C ATOM 650 NZ LYS A 45 43.413 -26.994 -0.608 1.00 21.35 N ATOM 0 H LYS A 45 49.135 -29.904 -0.480 1.00 34.22 H new ATOM 0 HA LYS A 45 47.270 -31.584 -1.960 1.00 1.22 H new ATOM 0 HB2 LYS A 45 47.512 -28.567 -1.630 1.00 41.14 H new ATOM 0 HB3 LYS A 45 46.181 -29.399 -2.410 1.00 41.14 H new ATOM 0 HG2 LYS A 45 45.579 -30.493 -0.287 1.00 41.43 H new ATOM 0 HG3 LYS A 45 46.957 -29.759 0.509 1.00 41.43 H new ATOM 0 HD2 LYS A 45 44.967 -28.472 1.049 1.00 52.41 H new ATOM 0 HD3 LYS A 45 46.013 -27.493 0.040 1.00 52.41 H new ATOM 0 HE2 LYS A 45 44.644 -28.065 -1.949 1.00 2.42 H new ATOM 0 HE3 LYS A 45 43.607 -29.068 -0.954 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 42.648 -26.894 -1.305 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 43.004 -27.113 0.341 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 44.008 -26.141 -0.623 1.00 21.35 H new ATOM 664 N ASP A 46 47.675 -30.524 -4.334 1.00 71.23 N ATOM 665 CA ASP A 46 48.148 -30.329 -5.702 1.00 33.11 C ATOM 666 C ASP A 46 47.990 -28.886 -6.114 1.00 43.41 C ATOM 667 O ASP A 46 48.618 -28.422 -7.063 1.00 45.42 O ATOM 668 CB ASP A 46 47.417 -31.237 -6.692 1.00 22.43 C ATOM 669 CG ASP A 46 47.711 -32.705 -6.501 1.00 54.13 C ATOM 670 OD1 ASP A 46 46.988 -33.378 -5.731 1.00 72.22 O ATOM 671 OD2 ASP A 46 48.657 -33.222 -7.143 1.00 45.24 O ATOM 0 H ASP A 46 46.674 -30.706 -4.259 1.00 71.23 H new ATOM 0 HA ASP A 46 49.205 -30.596 -5.721 1.00 33.11 H new ATOM 0 HB2 ASP A 46 46.343 -31.075 -6.595 1.00 22.43 H new ATOM 0 HB3 ASP A 46 47.693 -30.949 -7.707 1.00 22.43 H new ATOM 676 N THR A 47 47.151 -28.178 -5.407 1.00 73.34 N ATOM 677 CA THR A 47 46.960 -26.774 -5.637 1.00 64.41 C ATOM 678 C THR A 47 47.167 -26.043 -4.369 1.00 71.43 C ATOM 679 O THR A 47 46.943 -26.598 -3.283 1.00 40.44 O ATOM 680 CB THR A 47 45.580 -26.411 -6.204 1.00 20.33 C ATOM 681 OG1 THR A 47 44.532 -27.093 -5.493 1.00 44.41 O ATOM 682 CG2 THR A 47 45.491 -26.676 -7.694 1.00 54.35 C ATOM 0 H THR A 47 46.580 -28.561 -4.654 1.00 73.34 H new ATOM 0 HA THR A 47 47.690 -26.486 -6.394 1.00 64.41 H new ATOM 0 HB THR A 47 45.445 -25.339 -6.060 1.00 20.33 H new ATOM 0 HG1 THR A 47 43.721 -27.109 -6.043 1.00 44.41 H new ATOM 0 HG21 THR A 47 44.498 -26.405 -8.053 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.240 -26.080 -8.215 1.00 54.35 H new ATOM 0 HG23 THR A 47 45.670 -27.734 -7.887 1.00 54.35 H new ATOM 690 N TYR A 48 47.598 -24.828 -4.477 1.00 21.32 N ATOM 691 CA TYR A 48 47.892 -24.043 -3.321 1.00 72.11 C ATOM 692 C TYR A 48 47.374 -22.668 -3.566 1.00 63.32 C ATOM 693 O TYR A 48 47.237 -22.268 -4.715 1.00 44.22 O ATOM 694 CB TYR A 48 49.410 -23.963 -3.105 1.00 30.34 C ATOM 695 CG TYR A 48 50.121 -25.290 -3.170 1.00 40.51 C ATOM 696 CD1 TYR A 48 50.034 -26.201 -2.137 1.00 63.43 C ATOM 697 CD2 TYR A 48 50.866 -25.632 -4.287 1.00 21.34 C ATOM 698 CE1 TYR A 48 50.666 -27.416 -2.218 1.00 12.51 C ATOM 699 CE2 TYR A 48 51.507 -26.845 -4.374 1.00 2.02 C ATOM 700 CZ TYR A 48 51.405 -27.733 -3.339 1.00 2.34 C ATOM 701 OH TYR A 48 52.031 -28.957 -3.419 1.00 72.12 O ATOM 0 H TYR A 48 47.756 -24.353 -5.365 1.00 21.32 H new ATOM 0 HA TYR A 48 47.432 -24.492 -2.441 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.837 -23.299 -3.857 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.603 -23.509 -2.133 1.00 30.34 H new ATOM 0 HD1 TYR A 48 49.462 -25.955 -1.255 1.00 63.43 H new ATOM 0 HD2 TYR A 48 50.945 -24.932 -5.105 1.00 21.34 H new ATOM 0 HE1 TYR A 48 50.585 -28.123 -1.406 1.00 12.51 H new ATOM 0 HE2 TYR A 48 52.086 -27.094 -5.251 1.00 2.02 H new ATOM 0 HH TYR A 48 51.361 -29.658 -3.562 1.00 72.12 H new ATOM 711 N THR A 49 47.056 -21.953 -2.533 1.00 4.35 N ATOM 712 CA THR A 49 46.677 -20.588 -2.693 1.00 1.34 C ATOM 713 C THR A 49 47.953 -19.792 -2.633 1.00 15.00 C ATOM 714 O THR A 49 48.999 -20.358 -2.276 1.00 52.25 O ATOM 715 CB THR A 49 45.711 -20.130 -1.571 1.00 51.02 C ATOM 716 OG1 THR A 49 46.367 -20.131 -0.293 1.00 64.22 O ATOM 717 CG2 THR A 49 44.528 -21.063 -1.503 1.00 61.52 C ATOM 0 H THR A 49 47.052 -22.293 -1.571 1.00 4.35 H new ATOM 0 HA THR A 49 46.149 -20.445 -3.636 1.00 1.34 H new ATOM 0 HB THR A 49 45.384 -19.117 -1.804 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.737 -19.837 0.398 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.852 -20.737 -0.713 1.00 61.52 H new ATOM 0 HG22 THR A 49 44.002 -21.053 -2.457 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.874 -22.074 -1.290 1.00 61.52 H new ATOM 725 N MET A 50 47.921 -18.518 -2.966 1.00 21.14 N ATOM 726 CA MET A 50 49.128 -17.725 -2.859 1.00 1.43 C ATOM 727 C MET A 50 49.588 -17.662 -1.423 1.00 72.53 C ATOM 728 O MET A 50 50.757 -17.708 -1.151 1.00 74.21 O ATOM 729 CB MET A 50 48.975 -16.321 -3.427 1.00 22.31 C ATOM 730 CG MET A 50 48.750 -16.273 -4.919 1.00 4.50 C ATOM 731 SD MET A 50 49.610 -14.892 -5.683 1.00 33.11 S ATOM 732 CE MET A 50 51.291 -15.357 -5.269 1.00 73.31 C ATOM 0 H MET A 50 47.097 -18.020 -3.304 1.00 21.14 H new ATOM 0 HA MET A 50 49.884 -18.225 -3.465 1.00 1.43 H new ATOM 0 HB2 MET A 50 48.138 -15.830 -2.930 1.00 22.31 H new ATOM 0 HB3 MET A 50 49.870 -15.746 -3.188 1.00 22.31 H new ATOM 0 HG2 MET A 50 49.091 -17.206 -5.368 1.00 4.50 H new ATOM 0 HG3 MET A 50 47.682 -16.193 -5.123 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.970 -14.989 -6.038 1.00 73.31 H new ATOM 0 HE2 MET A 50 51.562 -14.922 -4.307 1.00 73.31 H new ATOM 0 HE3 MET A 50 51.364 -16.443 -5.210 1.00 73.31 H new ATOM 742 N LYS A 51 48.642 -17.656 -0.536 1.00 14.32 N ATOM 743 CA LYS A 51 48.864 -17.597 0.891 1.00 64.44 C ATOM 744 C LYS A 51 49.525 -18.884 1.377 1.00 30.11 C ATOM 745 O LYS A 51 50.368 -18.865 2.279 1.00 14.04 O ATOM 746 CB LYS A 51 47.520 -17.384 1.524 1.00 41.10 C ATOM 747 CG LYS A 51 47.468 -17.134 3.003 1.00 73.21 C ATOM 748 CD LYS A 51 46.043 -16.821 3.297 1.00 42.42 C ATOM 749 CE LYS A 51 45.708 -16.557 4.729 1.00 70.32 C ATOM 750 NZ LYS A 51 44.263 -16.267 4.802 1.00 25.31 N ATOM 0 H LYS A 51 47.654 -17.693 -0.787 1.00 14.32 H new ATOM 0 HA LYS A 51 49.538 -16.785 1.162 1.00 64.44 H new ATOM 0 HB2 LYS A 51 47.047 -16.538 1.026 1.00 41.10 H new ATOM 0 HB3 LYS A 51 46.909 -18.261 1.312 1.00 41.10 H new ATOM 0 HG2 LYS A 51 47.802 -18.008 3.562 1.00 73.21 H new ATOM 0 HG3 LYS A 51 48.119 -16.307 3.285 1.00 73.21 H new ATOM 0 HD2 LYS A 51 45.756 -15.948 2.711 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.431 -17.653 2.950 1.00 42.42 H new ATOM 0 HE2 LYS A 51 45.957 -17.420 5.346 1.00 70.32 H new ATOM 0 HE3 LYS A 51 46.287 -15.716 5.109 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 44.060 -15.730 5.669 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 43.979 -15.707 3.973 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 43.730 -17.160 4.816 1.00 25.31 H new ATOM 764 N GLU A 52 49.166 -20.004 0.762 1.00 55.54 N ATOM 765 CA GLU A 52 49.834 -21.258 1.048 1.00 75.23 C ATOM 766 C GLU A 52 51.274 -21.165 0.544 1.00 14.34 C ATOM 767 O GLU A 52 52.185 -21.742 1.121 1.00 34.14 O ATOM 768 CB GLU A 52 49.128 -22.442 0.389 1.00 51.14 C ATOM 769 CG GLU A 52 47.694 -22.676 0.843 1.00 60.21 C ATOM 770 CD GLU A 52 47.551 -22.974 2.319 1.00 40.45 C ATOM 771 OE1 GLU A 52 47.882 -24.102 2.746 1.00 4.25 O ATOM 772 OE2 GLU A 52 47.035 -22.113 3.069 1.00 34.40 O ATOM 0 H GLU A 52 48.421 -20.066 0.068 1.00 55.54 H new ATOM 0 HA GLU A 52 49.812 -21.428 2.124 1.00 75.23 H new ATOM 0 HB2 GLU A 52 49.130 -22.291 -0.690 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.706 -23.345 0.586 1.00 51.14 H new ATOM 0 HG2 GLU A 52 47.100 -21.794 0.603 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.276 -23.506 0.274 1.00 60.21 H new ATOM 779 N VAL A 53 51.474 -20.399 -0.525 1.00 43.32 N ATOM 780 CA VAL A 53 52.796 -20.157 -1.059 1.00 51.12 C ATOM 781 C VAL A 53 53.585 -19.320 -0.061 1.00 21.10 C ATOM 782 O VAL A 53 54.675 -19.664 0.242 1.00 11.23 O ATOM 783 CB VAL A 53 52.751 -19.488 -2.451 1.00 30.31 C ATOM 784 CG1 VAL A 53 54.133 -19.296 -3.018 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.913 -20.312 -3.390 1.00 10.42 C ATOM 0 H VAL A 53 50.724 -19.935 -1.037 1.00 43.32 H new ATOM 0 HA VAL A 53 53.296 -21.115 -1.204 1.00 51.12 H new ATOM 0 HB VAL A 53 52.301 -18.502 -2.336 1.00 30.31 H new ATOM 0 HG11 VAL A 53 54.062 -18.823 -3.997 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.715 -18.661 -2.350 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.623 -20.264 -3.117 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.886 -19.834 -4.369 1.00 10.42 H new ATOM 0 HG22 VAL A 53 52.345 -21.308 -3.485 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.899 -20.392 -2.998 1.00 10.42 H new ATOM 795 N LEU A 54 53.013 -18.228 0.458 1.00 70.30 N ATOM 796 CA LEU A 54 53.599 -17.499 1.571 1.00 2.43 C ATOM 797 C LEU A 54 54.047 -18.454 2.669 1.00 14.03 C ATOM 798 O LEU A 54 55.158 -18.361 3.176 1.00 21.52 O ATOM 799 CB LEU A 54 52.586 -16.518 2.152 1.00 11.33 C ATOM 800 CG LEU A 54 52.404 -15.186 1.430 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.936 -15.318 0.002 1.00 70.35 C ATOM 802 CD2 LEU A 54 51.537 -14.237 2.233 1.00 72.44 C ATOM 0 H LEU A 54 52.137 -17.833 0.116 1.00 70.30 H new ATOM 0 HA LEU A 54 54.465 -16.955 1.194 1.00 2.43 H new ATOM 0 HB2 LEU A 54 51.617 -17.016 2.188 1.00 11.33 H new ATOM 0 HB3 LEU A 54 52.875 -16.306 3.182 1.00 11.33 H new ATOM 0 HG LEU A 54 53.400 -14.750 1.356 1.00 21.01 H new ATOM 0 HD11 LEU A 54 51.832 -14.327 -0.440 1.00 70.35 H new ATOM 0 HD12 LEU A 54 52.665 -15.894 -0.568 1.00 70.35 H new ATOM 0 HD13 LEU A 54 50.973 -15.828 -0.020 1.00 70.35 H new ATOM 0 HD21 LEU A 54 51.427 -13.298 1.691 1.00 72.44 H new ATOM 0 HD22 LEU A 54 50.555 -14.684 2.387 1.00 72.44 H new ATOM 0 HD23 LEU A 54 52.005 -14.046 3.199 1.00 72.44 H new ATOM 814 N PHE A 55 53.216 -19.410 2.967 1.00 3.44 N ATOM 815 CA PHE A 55 53.524 -20.360 4.002 1.00 31.34 C ATOM 816 C PHE A 55 54.703 -21.270 3.599 1.00 34.30 C ATOM 817 O PHE A 55 55.734 -21.267 4.248 1.00 13.01 O ATOM 818 CB PHE A 55 52.273 -21.177 4.382 1.00 43.03 C ATOM 819 CG PHE A 55 52.494 -22.201 5.465 1.00 50.44 C ATOM 820 CD1 PHE A 55 52.562 -21.822 6.794 1.00 43.53 C ATOM 821 CD2 PHE A 55 52.631 -23.542 5.150 1.00 13.12 C ATOM 822 CE1 PHE A 55 52.764 -22.760 7.785 1.00 44.21 C ATOM 823 CE2 PHE A 55 52.833 -24.484 6.134 1.00 72.04 C ATOM 824 CZ PHE A 55 52.900 -24.095 7.452 1.00 42.14 C ATOM 0 H PHE A 55 52.317 -19.555 2.508 1.00 3.44 H new ATOM 0 HA PHE A 55 53.839 -19.807 4.887 1.00 31.34 H new ATOM 0 HB2 PHE A 55 51.491 -20.490 4.705 1.00 43.03 H new ATOM 0 HB3 PHE A 55 51.903 -21.685 3.491 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.456 -20.780 7.058 1.00 43.53 H new ATOM 0 HD2 PHE A 55 52.579 -23.854 4.117 1.00 13.12 H new ATOM 0 HE1 PHE A 55 52.816 -22.452 8.819 1.00 44.21 H new ATOM 0 HE2 PHE A 55 52.939 -25.526 5.872 1.00 72.04 H new ATOM 0 HZ PHE A 55 53.059 -24.832 8.226 1.00 42.14 H new ATOM 834 N TYR A 56 54.558 -21.989 2.505 1.00 63.30 N ATOM 835 CA TYR A 56 55.558 -22.965 2.076 1.00 1.22 C ATOM 836 C TYR A 56 56.797 -22.340 1.439 1.00 62.54 C ATOM 837 O TYR A 56 57.915 -22.769 1.713 1.00 21.03 O ATOM 838 CB TYR A 56 54.957 -23.987 1.127 1.00 51.34 C ATOM 839 CG TYR A 56 53.901 -24.866 1.742 1.00 64.03 C ATOM 840 CD1 TYR A 56 54.247 -25.850 2.642 1.00 1.33 C ATOM 841 CD2 TYR A 56 52.563 -24.719 1.416 1.00 33.42 C ATOM 842 CE1 TYR A 56 53.295 -26.661 3.207 1.00 50.53 C ATOM 843 CE2 TYR A 56 51.598 -25.526 1.976 1.00 32.12 C ATOM 844 CZ TYR A 56 51.971 -26.496 2.873 1.00 61.21 C ATOM 845 OH TYR A 56 51.018 -27.306 3.445 1.00 44.45 O ATOM 0 H TYR A 56 53.750 -21.920 1.886 1.00 63.30 H new ATOM 0 HA TYR A 56 55.886 -23.459 2.991 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.524 -23.462 0.275 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.757 -24.618 0.740 1.00 51.34 H new ATOM 0 HD1 TYR A 56 55.285 -25.985 2.907 1.00 1.33 H new ATOM 0 HD2 TYR A 56 52.271 -23.957 0.709 1.00 33.42 H new ATOM 0 HE1 TYR A 56 53.585 -27.426 3.912 1.00 50.53 H new ATOM 0 HE2 TYR A 56 50.559 -25.397 1.712 1.00 32.12 H new ATOM 0 HH TYR A 56 50.133 -27.060 3.105 1.00 44.45 H new ATOM 855 N LEU A 57 56.611 -21.329 0.607 1.00 33.41 N ATOM 856 CA LEU A 57 57.729 -20.691 -0.075 1.00 40.31 C ATOM 857 C LEU A 57 58.572 -19.985 0.974 1.00 40.54 C ATOM 858 O LEU A 57 59.799 -19.972 0.904 1.00 5.14 O ATOM 859 CB LEU A 57 57.223 -19.715 -1.191 1.00 53.03 C ATOM 860 CG LEU A 57 58.192 -19.386 -2.355 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.485 -18.629 -3.462 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.364 -18.575 -1.905 1.00 3.30 C ATOM 0 H LEU A 57 55.698 -20.931 0.386 1.00 33.41 H new ATOM 0 HA LEU A 57 58.342 -21.434 -0.585 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.315 -20.139 -1.620 1.00 53.03 H new ATOM 0 HB3 LEU A 57 56.942 -18.776 -0.713 1.00 53.03 H new ATOM 0 HG LEU A 57 58.548 -20.347 -2.728 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.191 -18.413 -4.264 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.667 -19.235 -3.852 1.00 53.32 H new ATOM 0 HD13 LEU A 57 57.087 -17.694 -3.067 1.00 53.32 H new ATOM 0 HD21 LEU A 57 60.013 -18.370 -2.756 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.014 -17.634 -1.481 1.00 3.30 H new ATOM 0 HD23 LEU A 57 59.921 -19.129 -1.149 1.00 3.30 H new ATOM 874 N GLY A 58 57.888 -19.478 1.991 1.00 34.05 N ATOM 875 CA GLY A 58 58.547 -18.836 3.105 1.00 74.30 C ATOM 876 C GLY A 58 59.452 -19.789 3.832 1.00 10.41 C ATOM 877 O GLY A 58 60.571 -19.423 4.195 1.00 32.52 O ATOM 0 H GLY A 58 56.871 -19.503 2.061 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.126 -17.985 2.746 1.00 74.30 H new ATOM 0 HA3 GLY A 58 57.799 -18.444 3.795 1.00 74.30 H new ATOM 881 N GLN A 59 58.985 -21.039 3.993 1.00 63.23 N ATOM 882 CA GLN A 59 59.771 -22.089 4.643 1.00 64.13 C ATOM 883 C GLN A 59 61.060 -22.279 3.870 1.00 12.12 C ATOM 884 O GLN A 59 62.126 -22.338 4.438 1.00 60.00 O ATOM 885 CB GLN A 59 59.033 -23.444 4.621 1.00 61.45 C ATOM 886 CG GLN A 59 57.611 -23.426 5.125 1.00 71.21 C ATOM 887 CD GLN A 59 57.473 -23.077 6.582 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.339 -23.388 7.411 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.416 -22.407 6.898 1.00 73.55 N ATOM 0 H GLN A 59 58.063 -21.342 3.679 1.00 63.23 H new ATOM 0 HA GLN A 59 59.946 -21.784 5.675 1.00 64.13 H new ATOM 0 HB2 GLN A 59 59.031 -23.818 3.597 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.602 -24.156 5.220 1.00 61.45 H new ATOM 0 HG2 GLN A 59 57.039 -22.709 4.536 1.00 71.21 H new ATOM 0 HG3 GLN A 59 57.165 -24.406 4.955 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.728 -22.172 6.182 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.269 -22.112 7.863 1.00 73.55 H new ATOM 898 N TYR A 60 60.931 -22.316 2.556 1.00 52.35 N ATOM 899 CA TYR A 60 62.035 -22.610 1.666 1.00 12.25 C ATOM 900 C TYR A 60 63.111 -21.506 1.693 1.00 54.12 C ATOM 901 O TYR A 60 64.311 -21.800 1.747 1.00 53.15 O ATOM 902 CB TYR A 60 61.510 -22.836 0.247 1.00 33.44 C ATOM 903 CG TYR A 60 62.472 -23.570 -0.654 1.00 22.14 C ATOM 904 CD1 TYR A 60 62.639 -24.941 -0.519 1.00 3.25 C ATOM 905 CD2 TYR A 60 63.198 -22.914 -1.637 1.00 22.44 C ATOM 906 CE1 TYR A 60 63.498 -25.640 -1.328 1.00 41.23 C ATOM 907 CE2 TYR A 60 64.067 -23.611 -2.458 1.00 63.13 C ATOM 908 CZ TYR A 60 64.210 -24.978 -2.296 1.00 64.01 C ATOM 909 OH TYR A 60 65.083 -25.688 -3.106 1.00 62.05 O ATOM 0 H TYR A 60 60.049 -22.141 2.075 1.00 52.35 H new ATOM 0 HA TYR A 60 62.517 -23.523 2.016 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.578 -23.398 0.301 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.274 -21.870 -0.200 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.080 -25.469 0.240 1.00 3.25 H new ATOM 0 HD2 TYR A 60 63.084 -21.847 -1.763 1.00 22.44 H new ATOM 0 HE1 TYR A 60 63.613 -26.707 -1.204 1.00 41.23 H new ATOM 0 HE2 TYR A 60 64.630 -23.092 -3.220 1.00 63.13 H new ATOM 0 HH TYR A 60 65.332 -25.139 -3.879 1.00 62.05 H new ATOM 919 N ILE A 61 62.682 -20.249 1.709 1.00 22.33 N ATOM 920 CA ILE A 61 63.625 -19.117 1.696 1.00 54.32 C ATOM 921 C ILE A 61 64.334 -19.059 3.030 1.00 22.41 C ATOM 922 O ILE A 61 65.545 -18.772 3.124 1.00 45.34 O ATOM 923 CB ILE A 61 62.919 -17.742 1.499 1.00 71.30 C ATOM 924 CG1 ILE A 61 61.958 -17.775 0.329 1.00 3.12 C ATOM 925 CG2 ILE A 61 63.959 -16.631 1.258 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.204 -16.473 0.122 1.00 12.42 C ATOM 0 H ILE A 61 61.698 -19.981 1.731 1.00 22.33 H new ATOM 0 HA ILE A 61 64.306 -19.283 0.861 1.00 54.32 H new ATOM 0 HB ILE A 61 62.359 -17.534 2.410 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.513 -18.012 -0.579 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.240 -18.580 0.483 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.448 -15.678 1.122 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.627 -16.566 2.117 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.538 -16.863 0.364 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.535 -16.572 -0.733 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.621 -16.244 1.014 1.00 12.42 H new ATOM 0 HD13 ILE A 61 61.914 -15.667 -0.064 1.00 12.42 H new ATOM 938 N MET A 62 63.577 -19.349 4.049 1.00 72.44 N ATOM 939 CA MET A 62 64.036 -19.275 5.396 1.00 41.23 C ATOM 940 C MET A 62 64.969 -20.434 5.708 1.00 61.21 C ATOM 941 O MET A 62 66.033 -20.221 6.241 1.00 12.42 O ATOM 942 CB MET A 62 62.824 -19.257 6.330 1.00 32.32 C ATOM 943 CG MET A 62 63.077 -18.870 7.786 1.00 13.52 C ATOM 944 SD MET A 62 64.023 -20.088 8.728 1.00 44.31 S ATOM 945 CE MET A 62 64.057 -19.309 10.337 1.00 63.31 C ATOM 0 H MET A 62 62.606 -19.649 3.959 1.00 72.44 H new ATOM 0 HA MET A 62 64.607 -18.359 5.544 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.089 -18.565 5.918 1.00 32.32 H new ATOM 0 HB3 MET A 62 62.371 -20.248 6.317 1.00 32.32 H new ATOM 0 HG2 MET A 62 63.608 -17.918 7.809 1.00 13.52 H new ATOM 0 HG3 MET A 62 62.118 -18.712 8.279 1.00 13.52 H new ATOM 0 HE1 MET A 62 64.608 -19.940 11.035 1.00 63.31 H new ATOM 0 HE2 MET A 62 64.547 -18.338 10.261 1.00 63.31 H new ATOM 0 HE3 MET A 62 63.037 -19.174 10.697 1.00 63.31 H new ATOM 955 N THR A 63 64.591 -21.637 5.299 1.00 24.30 N ATOM 956 CA THR A 63 65.340 -22.850 5.632 1.00 13.21 C ATOM 957 C THR A 63 66.746 -22.862 4.991 1.00 64.20 C ATOM 958 O THR A 63 67.708 -23.352 5.590 1.00 74.44 O ATOM 959 CB THR A 63 64.531 -24.154 5.275 1.00 32.20 C ATOM 960 OG1 THR A 63 65.117 -25.307 5.902 1.00 73.21 O ATOM 961 CG2 THR A 63 64.465 -24.392 3.770 1.00 71.34 C ATOM 0 H THR A 63 63.761 -21.804 4.730 1.00 24.30 H new ATOM 0 HA THR A 63 65.483 -22.841 6.713 1.00 13.21 H new ATOM 0 HB THR A 63 63.518 -24.003 5.649 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.599 -26.105 5.669 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.898 -25.301 3.570 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.975 -23.546 3.289 1.00 71.34 H new ATOM 0 HG23 THR A 63 65.475 -24.499 3.374 1.00 71.34 H new ATOM 969 N LYS A 64 66.877 -22.288 3.806 1.00 74.50 N ATOM 970 CA LYS A 64 68.176 -22.229 3.146 1.00 35.22 C ATOM 971 C LYS A 64 68.908 -21.003 3.648 1.00 24.12 C ATOM 972 O LYS A 64 70.132 -20.908 3.550 1.00 50.03 O ATOM 973 CB LYS A 64 68.026 -22.045 1.645 1.00 41.22 C ATOM 974 CG LYS A 64 67.195 -23.053 0.874 1.00 22.42 C ATOM 975 CD LYS A 64 67.833 -24.419 0.807 1.00 13.51 C ATOM 976 CE LYS A 64 67.183 -25.254 -0.294 1.00 12.10 C ATOM 977 NZ LYS A 64 67.450 -24.714 -1.662 1.00 42.24 N ATOM 0 H LYS A 64 66.112 -21.860 3.285 1.00 74.50 H new ATOM 0 HA LYS A 64 68.704 -23.159 3.358 1.00 35.22 H new ATOM 0 HB2 LYS A 64 67.595 -21.059 1.473 1.00 41.22 H new ATOM 0 HB3 LYS A 64 69.025 -22.037 1.210 1.00 41.22 H new ATOM 0 HG2 LYS A 64 66.214 -23.139 1.341 1.00 22.42 H new ATOM 0 HG3 LYS A 64 67.034 -22.684 -0.139 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.901 -24.320 0.615 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.727 -24.925 1.767 1.00 13.51 H new ATOM 0 HE2 LYS A 64 67.552 -26.278 -0.234 1.00 12.10 H new ATOM 0 HE3 LYS A 64 66.107 -25.293 -0.127 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 66.660 -24.959 -2.292 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 67.546 -23.680 -1.614 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 68.330 -25.127 -2.033 1.00 42.24 H new ATOM 991 N ARG A 65 68.123 -20.065 4.188 1.00 62.41 N ATOM 992 CA ARG A 65 68.594 -18.751 4.586 1.00 10.24 C ATOM 993 C ARG A 65 69.082 -17.985 3.368 1.00 55.32 C ATOM 994 O ARG A 65 70.270 -17.751 3.204 1.00 33.21 O ATOM 995 CB ARG A 65 69.684 -18.753 5.702 1.00 10.13 C ATOM 996 CG ARG A 65 69.216 -19.067 7.128 1.00 12.01 C ATOM 997 CD ARG A 65 68.842 -20.522 7.326 1.00 0.21 C ATOM 998 NE ARG A 65 68.365 -20.776 8.694 1.00 35.32 N ATOM 999 CZ ARG A 65 67.929 -21.955 9.155 1.00 62.31 C ATOM 1000 NH1 ARG A 65 67.963 -23.040 8.379 1.00 53.35 N ATOM 1001 NH2 ARG A 65 67.480 -22.055 10.403 1.00 23.34 N ATOM 0 H ARG A 65 67.128 -20.208 4.360 1.00 62.41 H new ATOM 0 HA ARG A 65 67.733 -18.253 5.032 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.449 -19.480 5.428 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.163 -17.774 5.710 1.00 10.13 H new ATOM 0 HG2 ARG A 65 70.007 -18.803 7.830 1.00 12.01 H new ATOM 0 HG3 ARG A 65 68.356 -18.442 7.367 1.00 12.01 H new ATOM 0 HD2 ARG A 65 68.067 -20.800 6.612 1.00 0.21 H new ATOM 0 HD3 ARG A 65 69.707 -21.152 7.118 1.00 0.21 H new ATOM 0 HE ARG A 65 68.366 -19.990 9.344 1.00 35.32 H new ATOM 0 HH11 ARG A 65 68.323 -22.975 7.427 1.00 53.35 H new ATOM 0 HH12 ARG A 65 67.629 -23.934 8.738 1.00 53.35 H new ATOM 0 HH21 ARG A 65 67.468 -21.234 11.008 1.00 23.34 H new ATOM 0 HH22 ARG A 65 67.148 -22.953 10.755 1.00 23.34 H new ATOM 1015 N LEU A 66 68.169 -17.656 2.471 1.00 53.51 N ATOM 1016 CA LEU A 66 68.560 -16.892 1.282 1.00 71.15 C ATOM 1017 C LEU A 66 68.456 -15.416 1.530 1.00 32.04 C ATOM 1018 O LEU A 66 68.809 -14.607 0.664 1.00 73.22 O ATOM 1019 CB LEU A 66 67.732 -17.207 0.029 1.00 33.23 C ATOM 1020 CG LEU A 66 67.796 -18.608 -0.577 1.00 74.22 C ATOM 1021 CD1 LEU A 66 69.169 -19.256 -0.443 1.00 34.12 C ATOM 1022 CD2 LEU A 66 66.666 -19.477 -0.089 1.00 42.44 C ATOM 0 H LEU A 66 67.179 -17.893 2.531 1.00 53.51 H new ATOM 0 HA LEU A 66 69.590 -17.195 1.094 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.688 -17.000 0.265 1.00 33.23 H new ATOM 0 HB3 LEU A 66 68.029 -16.501 -0.746 1.00 33.23 H new ATOM 0 HG LEU A 66 67.651 -18.495 -1.651 1.00 74.22 H new ATOM 0 HD11 LEU A 66 69.148 -20.249 -0.893 1.00 34.12 H new ATOM 0 HD12 LEU A 66 69.912 -18.642 -0.952 1.00 34.12 H new ATOM 0 HD13 LEU A 66 69.430 -19.341 0.612 1.00 34.12 H new ATOM 0 HD21 LEU A 66 66.745 -20.465 -0.542 1.00 42.44 H new ATOM 0 HD22 LEU A 66 66.720 -19.569 0.996 1.00 42.44 H new ATOM 0 HD23 LEU A 66 65.714 -19.026 -0.367 1.00 42.44 H new ATOM 1034 N TYR A 67 67.954 -15.055 2.673 1.00 50.33 N ATOM 1035 CA TYR A 67 67.757 -13.672 2.970 1.00 63.44 C ATOM 1036 C TYR A 67 68.941 -13.105 3.715 1.00 41.21 C ATOM 1037 O TYR A 67 69.798 -13.862 4.197 1.00 0.14 O ATOM 1038 CB TYR A 67 66.418 -13.417 3.689 1.00 32.51 C ATOM 1039 CG TYR A 67 66.284 -14.016 5.072 1.00 55.05 C ATOM 1040 CD1 TYR A 67 66.733 -13.323 6.178 1.00 24.21 C ATOM 1041 CD2 TYR A 67 65.679 -15.251 5.273 1.00 64.31 C ATOM 1042 CE1 TYR A 67 66.588 -13.830 7.448 1.00 3.00 C ATOM 1043 CE2 TYR A 67 65.538 -15.771 6.547 1.00 44.51 C ATOM 1044 CZ TYR A 67 65.993 -15.049 7.630 1.00 62.24 C ATOM 1045 OH TYR A 67 65.833 -15.540 8.907 1.00 52.04 O ATOM 0 H TYR A 67 67.674 -15.699 3.413 1.00 50.33 H new ATOM 0 HA TYR A 67 67.690 -13.135 2.024 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.268 -12.340 3.765 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.613 -13.807 3.066 1.00 32.51 H new ATOM 0 HD1 TYR A 67 67.208 -12.363 6.043 1.00 24.21 H new ATOM 0 HD2 TYR A 67 65.315 -15.811 4.425 1.00 64.31 H new ATOM 0 HE1 TYR A 67 66.943 -13.268 8.299 1.00 3.00 H new ATOM 0 HE2 TYR A 67 65.075 -16.736 6.692 1.00 44.51 H new ATOM 0 HH TYR A 67 65.393 -16.415 8.868 1.00 52.04 H new ATOM 1055 N ASP A 68 68.995 -11.801 3.796 1.00 63.44 N ATOM 1056 CA ASP A 68 70.092 -11.115 4.434 1.00 21.32 C ATOM 1057 C ASP A 68 70.043 -11.311 5.923 1.00 52.35 C ATOM 1058 O ASP A 68 68.974 -11.387 6.519 1.00 13.34 O ATOM 1059 CB ASP A 68 70.078 -9.637 4.103 1.00 1.00 C ATOM 1060 CG ASP A 68 71.276 -8.918 4.662 1.00 51.10 C ATOM 1061 OD1 ASP A 68 72.386 -9.499 4.675 1.00 24.12 O ATOM 1062 OD2 ASP A 68 71.121 -7.807 5.158 1.00 62.33 O ATOM 0 H ASP A 68 68.277 -11.181 3.420 1.00 63.44 H new ATOM 0 HA ASP A 68 71.019 -11.542 4.052 1.00 21.32 H new ATOM 0 HB2 ASP A 68 70.052 -9.509 3.021 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.168 -9.186 4.499 1.00 1.00 H new ATOM 1067 N GLU A 69 71.187 -11.335 6.524 1.00 63.22 N ATOM 1068 CA GLU A 69 71.283 -11.648 7.915 1.00 62.14 C ATOM 1069 C GLU A 69 70.999 -10.436 8.777 1.00 64.00 C ATOM 1070 O GLU A 69 70.593 -10.572 9.922 1.00 30.11 O ATOM 1071 CB GLU A 69 72.618 -12.317 8.236 1.00 42.41 C ATOM 1072 CG GLU A 69 73.830 -11.535 7.794 1.00 61.33 C ATOM 1073 CD GLU A 69 75.090 -12.336 7.907 1.00 74.11 C ATOM 1074 OE1 GLU A 69 75.362 -13.154 7.016 1.00 24.54 O ATOM 1075 OE2 GLU A 69 75.853 -12.147 8.869 1.00 52.31 O ATOM 0 H GLU A 69 72.079 -11.139 6.069 1.00 63.22 H new ATOM 0 HA GLU A 69 70.508 -12.375 8.158 1.00 62.14 H new ATOM 0 HB2 GLU A 69 72.679 -12.481 9.312 1.00 42.41 H new ATOM 0 HB3 GLU A 69 72.642 -13.299 7.763 1.00 42.41 H new ATOM 0 HG2 GLU A 69 73.697 -11.214 6.761 1.00 61.33 H new ATOM 0 HG3 GLU A 69 73.919 -10.633 8.399 1.00 61.33 H new ATOM 1082 N LYS A 70 71.184 -9.245 8.228 1.00 21.31 N ATOM 1083 CA LYS A 70 70.857 -8.068 8.967 1.00 43.13 C ATOM 1084 C LYS A 70 69.544 -7.460 8.493 1.00 3.23 C ATOM 1085 O LYS A 70 68.807 -6.864 9.279 1.00 14.52 O ATOM 1086 CB LYS A 70 71.983 -7.021 8.955 1.00 51.11 C ATOM 1087 CG LYS A 70 72.645 -6.798 7.614 1.00 5.05 C ATOM 1088 CD LYS A 70 73.746 -7.794 7.355 1.00 31.00 C ATOM 1089 CE LYS A 70 74.425 -7.518 6.027 1.00 65.43 C ATOM 1090 NZ LYS A 70 75.463 -8.512 5.723 1.00 33.03 N ATOM 0 H LYS A 70 71.552 -9.084 7.291 1.00 21.31 H new ATOM 0 HA LYS A 70 70.734 -8.385 10.003 1.00 43.13 H new ATOM 0 HB2 LYS A 70 71.577 -6.071 9.303 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.746 -7.324 9.672 1.00 51.11 H new ATOM 0 HG2 LYS A 70 71.897 -6.871 6.824 1.00 5.05 H new ATOM 0 HG3 LYS A 70 73.053 -5.788 7.575 1.00 5.05 H new ATOM 0 HD2 LYS A 70 74.480 -7.748 8.160 1.00 31.00 H new ATOM 0 HD3 LYS A 70 73.336 -8.804 7.355 1.00 31.00 H new ATOM 0 HE2 LYS A 70 73.680 -7.517 5.232 1.00 65.43 H new ATOM 0 HE3 LYS A 70 74.870 -6.523 6.047 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 75.902 -8.287 4.807 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 76.188 -8.495 6.468 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 75.035 -9.459 5.678 1.00 33.03 H new ATOM 1104 N GLN A 71 69.224 -7.634 7.232 1.00 50.03 N ATOM 1105 CA GLN A 71 67.990 -7.108 6.699 1.00 5.34 C ATOM 1106 C GLN A 71 67.114 -8.261 6.293 1.00 62.15 C ATOM 1107 O GLN A 71 67.281 -8.817 5.216 1.00 64.52 O ATOM 1108 CB GLN A 71 68.270 -6.265 5.475 1.00 3.32 C ATOM 1109 CG GLN A 71 69.337 -5.224 5.659 1.00 21.51 C ATOM 1110 CD GLN A 71 69.778 -4.677 4.339 1.00 43.20 C ATOM 1111 OE1 GLN A 71 69.253 -3.671 3.852 1.00 23.33 O ATOM 1112 NE2 GLN A 71 70.697 -5.361 3.722 1.00 3.50 N ATOM 0 H GLN A 71 69.801 -8.136 6.557 1.00 50.03 H new ATOM 0 HA GLN A 71 67.502 -6.496 7.457 1.00 5.34 H new ATOM 0 HB2 GLN A 71 68.561 -6.923 4.656 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.347 -5.770 5.173 1.00 3.32 H new ATOM 0 HG2 GLN A 71 68.959 -4.416 6.285 1.00 21.51 H new ATOM 0 HG3 GLN A 71 70.190 -5.659 6.181 1.00 21.51 H new ATOM 0 HE21 GLN A 71 71.102 -6.186 4.164 1.00 3.50 H new ATOM 0 HE22 GLN A 71 71.012 -5.072 2.796 1.00 3.50 H new ATOM 1121 N GLN A 72 66.185 -8.623 7.131 1.00 33.03 N ATOM 1122 CA GLN A 72 65.349 -9.770 6.853 1.00 64.41 C ATOM 1123 C GLN A 72 64.394 -9.520 5.685 1.00 73.12 C ATOM 1124 O GLN A 72 63.951 -10.443 5.029 1.00 1.14 O ATOM 1125 CB GLN A 72 64.630 -10.246 8.113 1.00 2.34 C ATOM 1126 CG GLN A 72 65.591 -10.780 9.169 1.00 64.34 C ATOM 1127 CD GLN A 72 64.893 -11.405 10.357 1.00 20.23 C ATOM 1128 OE1 GLN A 72 64.596 -10.733 11.337 1.00 21.44 O ATOM 1129 NE2 GLN A 72 64.648 -12.702 10.293 1.00 52.04 N ATOM 0 H GLN A 72 65.983 -8.147 8.010 1.00 33.03 H new ATOM 0 HA GLN A 72 66.001 -10.583 6.533 1.00 64.41 H new ATOM 0 HB2 GLN A 72 64.056 -9.420 8.533 1.00 2.34 H new ATOM 0 HB3 GLN A 72 63.917 -11.027 7.847 1.00 2.34 H new ATOM 0 HG2 GLN A 72 66.247 -11.521 8.711 1.00 64.34 H new ATOM 0 HG3 GLN A 72 66.225 -9.965 9.517 1.00 64.34 H new ATOM 0 HE21 GLN A 72 64.909 -13.230 9.460 1.00 52.04 H new ATOM 0 HE22 GLN A 72 64.197 -13.175 11.076 1.00 52.04 H new ATOM 1138 N HIS A 73 64.095 -8.252 5.430 1.00 20.12 N ATOM 1139 CA HIS A 73 63.266 -7.852 4.295 1.00 23.35 C ATOM 1140 C HIS A 73 64.007 -7.965 2.948 1.00 72.14 C ATOM 1141 O HIS A 73 63.426 -7.695 1.888 1.00 10.11 O ATOM 1142 CB HIS A 73 62.725 -6.409 4.476 1.00 41.31 C ATOM 1143 CG HIS A 73 63.754 -5.299 4.374 1.00 54.10 C ATOM 1144 ND1 HIS A 73 63.892 -4.513 3.252 1.00 32.14 N ATOM 1145 CD2 HIS A 73 64.671 -4.830 5.265 1.00 65.33 C ATOM 1146 CE1 HIS A 73 64.835 -3.624 3.443 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.329 -3.787 4.657 1.00 73.14 N ATOM 0 H HIS A 73 64.419 -7.472 6.002 1.00 20.12 H new ATOM 0 HA HIS A 73 62.429 -8.550 4.272 1.00 23.35 H new ATOM 0 HB2 HIS A 73 61.954 -6.234 3.726 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.242 -6.342 5.451 1.00 41.31 H new ATOM 0 HD2 HIS A 73 64.848 -5.207 6.262 1.00 65.33 H new ATOM 0 HE1 HIS A 73 65.155 -2.881 2.727 1.00 3.33 H new ATOM 0 HE2 HIS A 73 66.075 -3.231 5.075 1.00 73.14 H new ATOM 1155 N ILE A 74 65.258 -8.348 2.999 1.00 50.14 N ATOM 1156 CA ILE A 74 66.082 -8.457 1.819 1.00 22.31 C ATOM 1157 C ILE A 74 66.387 -9.904 1.548 1.00 55.40 C ATOM 1158 O ILE A 74 67.002 -10.575 2.362 1.00 73.00 O ATOM 1159 CB ILE A 74 67.414 -7.655 1.966 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.142 -6.152 2.051 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.399 -7.960 0.839 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.389 -5.599 0.862 1.00 73.44 C ATOM 0 H ILE A 74 65.737 -8.595 3.865 1.00 50.14 H new ATOM 0 HA ILE A 74 65.528 -8.030 0.983 1.00 22.31 H new ATOM 0 HB ILE A 74 67.877 -7.978 2.898 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.573 -5.946 2.957 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.092 -5.625 2.145 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.310 -7.379 0.985 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.642 -9.023 0.845 1.00 3.51 H new ATOM 0 HG23 ILE A 74 67.950 -7.696 -0.118 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.234 -4.528 0.995 1.00 73.44 H new ATOM 0 HD12 ILE A 74 66.966 -5.772 -0.046 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.423 -6.098 0.779 1.00 73.44 H new ATOM 1174 N VAL A 75 65.944 -10.391 0.425 1.00 45.43 N ATOM 1175 CA VAL A 75 66.216 -11.740 0.063 1.00 24.42 C ATOM 1176 C VAL A 75 67.167 -11.746 -1.101 1.00 52.54 C ATOM 1177 O VAL A 75 66.878 -11.166 -2.139 1.00 42.31 O ATOM 1178 CB VAL A 75 64.941 -12.522 -0.314 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.277 -13.975 -0.600 1.00 1.24 C ATOM 1180 CG2 VAL A 75 63.900 -12.425 0.787 1.00 11.12 C ATOM 0 H VAL A 75 65.392 -9.867 -0.254 1.00 45.43 H new ATOM 0 HA VAL A 75 66.653 -12.236 0.930 1.00 24.42 H new ATOM 0 HB VAL A 75 64.523 -12.076 -1.216 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.367 -14.514 -0.865 1.00 1.24 H new ATOM 0 HG12 VAL A 75 65.984 -14.029 -1.428 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.721 -14.427 0.287 1.00 1.24 H new ATOM 0 HG21 VAL A 75 63.011 -12.985 0.497 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.306 -12.841 1.709 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.635 -11.380 0.946 1.00 11.12 H new ATOM 1190 N TYR A 76 68.305 -12.354 -0.937 1.00 5.33 N ATOM 1191 CA TYR A 76 69.251 -12.425 -2.013 1.00 2.23 C ATOM 1192 C TYR A 76 68.897 -13.563 -2.920 1.00 20.23 C ATOM 1193 O TYR A 76 68.606 -13.348 -4.081 1.00 22.13 O ATOM 1194 CB TYR A 76 70.689 -12.529 -1.508 1.00 71.42 C ATOM 1195 CG TYR A 76 71.144 -11.297 -0.765 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.282 -10.085 -1.430 1.00 72.11 C ATOM 1197 CD2 TYR A 76 71.417 -11.332 0.592 1.00 34.51 C ATOM 1198 CE1 TYR A 76 71.682 -8.946 -0.768 1.00 3.12 C ATOM 1199 CE2 TYR A 76 71.815 -10.195 1.260 1.00 53.13 C ATOM 1200 CZ TYR A 76 71.946 -9.007 0.578 1.00 44.23 C ATOM 1201 OH TYR A 76 72.335 -7.870 1.249 1.00 11.02 O ATOM 0 H TYR A 76 68.601 -12.807 -0.072 1.00 5.33 H new ATOM 0 HA TYR A 76 69.197 -11.496 -2.580 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.776 -13.395 -0.852 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.354 -12.702 -2.354 1.00 71.42 H new ATOM 0 HD1 TYR A 76 71.071 -10.035 -2.488 1.00 72.11 H new ATOM 0 HD2 TYR A 76 71.317 -12.261 1.133 1.00 34.51 H new ATOM 0 HE1 TYR A 76 71.787 -8.013 -1.302 1.00 3.12 H new ATOM 0 HE2 TYR A 76 72.024 -10.236 2.319 1.00 53.13 H new ATOM 0 HH TYR A 76 72.482 -8.082 2.194 1.00 11.02 H new ATOM 1211 N CYS A 77 68.879 -14.777 -2.364 1.00 54.53 N ATOM 1212 CA CYS A 77 68.534 -16.024 -3.095 1.00 52.14 C ATOM 1213 C CYS A 77 69.338 -16.219 -4.380 1.00 4.33 C ATOM 1214 O CYS A 77 68.953 -16.989 -5.260 1.00 62.20 O ATOM 1215 CB CYS A 77 66.997 -16.194 -3.298 1.00 61.41 C ATOM 1216 SG CYS A 77 66.117 -14.791 -4.021 1.00 54.33 S ATOM 0 H CYS A 77 69.105 -14.936 -1.382 1.00 54.53 H new ATOM 0 HA CYS A 77 68.843 -16.842 -2.444 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.831 -17.064 -3.933 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.548 -16.416 -2.330 1.00 61.41 H new ATOM 0 HG CYS A 77 66.975 -13.902 -4.425 1.00 54.33 H new ATOM 1222 N SER A 78 70.499 -15.601 -4.411 1.00 74.53 N ATOM 1223 CA SER A 78 71.410 -15.647 -5.518 1.00 1.24 C ATOM 1224 C SER A 78 72.024 -17.053 -5.621 1.00 20.30 C ATOM 1225 O SER A 78 72.430 -17.507 -6.698 1.00 21.43 O ATOM 1226 CB SER A 78 72.501 -14.621 -5.250 1.00 41.00 C ATOM 1227 OG SER A 78 71.928 -13.393 -4.789 1.00 62.31 O ATOM 0 H SER A 78 70.840 -15.034 -3.635 1.00 74.53 H new ATOM 0 HA SER A 78 70.898 -15.426 -6.455 1.00 1.24 H new ATOM 0 HB2 SER A 78 73.197 -15.007 -4.505 1.00 41.00 H new ATOM 0 HB3 SER A 78 73.074 -14.443 -6.160 1.00 41.00 H new ATOM 0 HG SER A 78 71.326 -13.035 -5.474 1.00 62.31 H new ATOM 1233 N ASN A 79 72.076 -17.742 -4.495 1.00 41.54 N ATOM 1234 CA ASN A 79 72.636 -19.083 -4.441 1.00 73.42 C ATOM 1235 C ASN A 79 71.570 -20.139 -4.636 1.00 0.00 C ATOM 1236 O ASN A 79 71.870 -21.329 -4.691 1.00 53.23 O ATOM 1237 CB ASN A 79 73.375 -19.334 -3.120 1.00 72.51 C ATOM 1238 CG ASN A 79 74.600 -18.463 -2.951 1.00 60.42 C ATOM 1239 OD1 ASN A 79 74.527 -17.366 -2.407 1.00 34.51 O ATOM 1240 ND2 ASN A 79 75.731 -18.934 -3.420 1.00 12.14 N ATOM 0 H ASN A 79 71.735 -17.393 -3.599 1.00 41.54 H new ATOM 0 HA ASN A 79 73.352 -19.154 -5.260 1.00 73.42 H new ATOM 0 HB2 ASN A 79 72.692 -19.156 -2.289 1.00 72.51 H new ATOM 0 HB3 ASN A 79 73.672 -20.382 -3.070 1.00 72.51 H new ATOM 0 HD21 ASN A 79 76.586 -18.384 -3.338 1.00 12.14 H new ATOM 0 HD22 ASN A 79 75.756 -19.851 -3.867 1.00 12.14 H new ATOM 1247 N ASP A 80 70.335 -19.722 -4.767 1.00 63.10 N ATOM 1248 CA ASP A 80 69.244 -20.669 -4.928 1.00 44.31 C ATOM 1249 C ASP A 80 68.706 -20.517 -6.351 1.00 54.24 C ATOM 1250 O ASP A 80 69.211 -19.698 -7.126 1.00 62.42 O ATOM 1251 CB ASP A 80 68.131 -20.409 -3.871 1.00 54.35 C ATOM 1252 CG ASP A 80 67.143 -21.577 -3.695 1.00 4.01 C ATOM 1253 OD1 ASP A 80 66.277 -21.779 -4.575 1.00 31.11 O ATOM 1254 OD2 ASP A 80 67.225 -22.297 -2.676 1.00 51.55 O ATOM 0 H ASP A 80 70.055 -18.741 -4.766 1.00 63.10 H new ATOM 0 HA ASP A 80 69.595 -21.689 -4.771 1.00 44.31 H new ATOM 0 HB2 ASP A 80 68.600 -20.197 -2.910 1.00 54.35 H new ATOM 0 HB3 ASP A 80 67.574 -19.517 -4.158 1.00 54.35 H new ATOM 1259 N LEU A 81 67.720 -21.273 -6.692 1.00 71.31 N ATOM 1260 CA LEU A 81 67.122 -21.225 -7.994 1.00 11.32 C ATOM 1261 C LEU A 81 65.952 -20.230 -7.934 1.00 12.11 C ATOM 1262 O LEU A 81 65.602 -19.601 -8.936 1.00 75.03 O ATOM 1263 CB LEU A 81 66.685 -22.668 -8.390 1.00 25.11 C ATOM 1264 CG LEU A 81 66.185 -22.939 -9.832 1.00 40.03 C ATOM 1265 CD1 LEU A 81 64.761 -22.464 -10.051 1.00 43.44 C ATOM 1266 CD2 LEU A 81 67.122 -22.304 -10.852 1.00 21.25 C ATOM 0 H LEU A 81 67.294 -21.957 -6.066 1.00 71.31 H new ATOM 0 HA LEU A 81 67.814 -20.879 -8.762 1.00 11.32 H new ATOM 0 HB2 LEU A 81 67.532 -23.329 -8.207 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.892 -22.970 -7.706 1.00 25.11 H new ATOM 0 HG LEU A 81 66.186 -24.020 -9.971 1.00 40.03 H new ATOM 0 HD11 LEU A 81 64.460 -22.678 -11.077 1.00 43.44 H new ATOM 0 HD12 LEU A 81 64.094 -22.982 -9.362 1.00 43.44 H new ATOM 0 HD13 LEU A 81 64.704 -21.390 -9.872 1.00 43.44 H new ATOM 0 HD21 LEU A 81 66.754 -22.505 -11.858 1.00 21.25 H new ATOM 0 HD22 LEU A 81 67.162 -21.227 -10.689 1.00 21.25 H new ATOM 0 HD23 LEU A 81 68.121 -22.725 -10.740 1.00 21.25 H new ATOM 1278 N LEU A 82 65.419 -20.068 -6.721 1.00 22.23 N ATOM 1279 CA LEU A 82 64.304 -19.177 -6.393 1.00 31.14 C ATOM 1280 C LEU A 82 64.402 -17.785 -7.050 1.00 51.53 C ATOM 1281 O LEU A 82 63.594 -17.442 -7.925 1.00 75.13 O ATOM 1282 CB LEU A 82 64.241 -19.027 -4.863 1.00 51.31 C ATOM 1283 CG LEU A 82 63.342 -17.924 -4.313 1.00 44.45 C ATOM 1284 CD1 LEU A 82 61.886 -18.163 -4.642 1.00 51.52 C ATOM 1285 CD2 LEU A 82 63.547 -17.765 -2.828 1.00 64.25 C ATOM 0 H LEU A 82 65.767 -20.575 -5.907 1.00 22.23 H new ATOM 0 HA LEU A 82 63.396 -19.630 -6.792 1.00 31.14 H new ATOM 0 HB2 LEU A 82 63.909 -19.976 -4.443 1.00 51.31 H new ATOM 0 HB3 LEU A 82 65.253 -18.853 -4.497 1.00 51.31 H new ATOM 0 HG LEU A 82 63.628 -16.993 -4.802 1.00 44.45 H new ATOM 0 HD11 LEU A 82 61.283 -17.354 -4.231 1.00 51.52 H new ATOM 0 HD12 LEU A 82 61.758 -18.198 -5.724 1.00 51.52 H new ATOM 0 HD13 LEU A 82 61.566 -19.110 -4.208 1.00 51.52 H new ATOM 0 HD21 LEU A 82 62.897 -16.974 -2.454 1.00 64.25 H new ATOM 0 HD22 LEU A 82 63.305 -18.701 -2.325 1.00 64.25 H new ATOM 0 HD23 LEU A 82 64.587 -17.505 -2.630 1.00 64.25 H new ATOM 1297 N GLY A 83 65.399 -17.011 -6.645 1.00 33.33 N ATOM 1298 CA GLY A 83 65.530 -15.644 -7.117 1.00 13.41 C ATOM 1299 C GLY A 83 65.836 -15.576 -8.569 1.00 23.02 C ATOM 1300 O GLY A 83 65.262 -14.748 -9.301 1.00 63.21 O ATOM 0 H GLY A 83 66.125 -17.307 -5.993 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.605 -15.103 -6.917 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.320 -15.143 -6.558 1.00 13.41 H new ATOM 1304 N ASP A 84 66.704 -16.482 -8.999 1.00 74.23 N ATOM 1305 CA ASP A 84 67.128 -16.569 -10.391 1.00 72.30 C ATOM 1306 C ASP A 84 65.904 -16.588 -11.276 1.00 60.45 C ATOM 1307 O ASP A 84 65.676 -15.634 -12.026 1.00 21.25 O ATOM 1308 CB ASP A 84 67.959 -17.845 -10.620 1.00 32.43 C ATOM 1309 CG ASP A 84 68.560 -17.938 -12.017 1.00 23.04 C ATOM 1310 OD1 ASP A 84 67.892 -18.448 -12.955 1.00 34.12 O ATOM 1311 OD2 ASP A 84 69.731 -17.523 -12.196 1.00 12.11 O ATOM 0 H ASP A 84 67.135 -17.179 -8.392 1.00 74.23 H new ATOM 0 HA ASP A 84 67.748 -15.706 -10.634 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.763 -17.882 -9.884 1.00 32.43 H new ATOM 0 HB3 ASP A 84 67.327 -18.716 -10.446 1.00 32.43 H new ATOM 1316 N LEU A 85 65.051 -17.591 -11.016 1.00 51.32 N ATOM 1317 CA LEU A 85 63.824 -17.910 -11.730 1.00 55.15 C ATOM 1318 C LEU A 85 62.854 -16.752 -11.728 1.00 45.10 C ATOM 1319 O LEU A 85 62.173 -16.491 -12.725 1.00 62.02 O ATOM 1320 CB LEU A 85 63.209 -19.058 -11.000 1.00 35.13 C ATOM 1321 CG LEU A 85 62.054 -19.752 -11.645 1.00 61.13 C ATOM 1322 CD1 LEU A 85 62.450 -20.338 -12.998 1.00 14.13 C ATOM 1323 CD2 LEU A 85 61.504 -20.825 -10.719 1.00 34.22 C ATOM 0 H LEU A 85 65.220 -18.240 -10.247 1.00 51.32 H new ATOM 0 HA LEU A 85 64.048 -18.140 -12.772 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.989 -19.799 -10.822 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.882 -18.699 -10.024 1.00 35.13 H new ATOM 0 HG LEU A 85 61.268 -19.019 -11.826 1.00 61.13 H new ATOM 0 HD11 LEU A 85 61.590 -20.837 -13.444 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.787 -19.538 -13.657 1.00 14.13 H new ATOM 0 HD13 LEU A 85 63.256 -21.058 -12.861 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.663 -21.324 -11.200 1.00 34.22 H new ATOM 0 HD22 LEU A 85 62.284 -21.555 -10.504 1.00 34.22 H new ATOM 0 HD23 LEU A 85 61.170 -20.366 -9.788 1.00 34.22 H new ATOM 1335 N PHE A 86 62.790 -16.060 -10.599 1.00 13.22 N ATOM 1336 CA PHE A 86 61.975 -14.858 -10.461 1.00 14.21 C ATOM 1337 C PHE A 86 62.442 -13.791 -11.430 1.00 25.43 C ATOM 1338 O PHE A 86 61.707 -12.867 -11.765 1.00 74.23 O ATOM 1339 CB PHE A 86 62.028 -14.326 -9.027 1.00 60.11 C ATOM 1340 CG PHE A 86 61.105 -15.015 -8.044 1.00 12.33 C ATOM 1341 CD1 PHE A 86 60.437 -16.191 -8.373 1.00 61.20 C ATOM 1342 CD2 PHE A 86 60.887 -14.462 -6.793 1.00 60.04 C ATOM 1343 CE1 PHE A 86 59.582 -16.795 -7.474 1.00 21.42 C ATOM 1344 CE2 PHE A 86 60.030 -15.060 -5.892 1.00 63.23 C ATOM 1345 CZ PHE A 86 59.375 -16.227 -6.233 1.00 2.54 C ATOM 0 H PHE A 86 63.300 -16.314 -9.753 1.00 13.22 H new ATOM 0 HA PHE A 86 60.943 -15.119 -10.693 1.00 14.21 H new ATOM 0 HB2 PHE A 86 63.051 -14.415 -8.662 1.00 60.11 H new ATOM 0 HB3 PHE A 86 61.786 -13.263 -9.043 1.00 60.11 H new ATOM 0 HD1 PHE A 86 60.590 -16.637 -9.345 1.00 61.20 H new ATOM 0 HD2 PHE A 86 61.395 -13.549 -6.519 1.00 60.04 H new ATOM 0 HE1 PHE A 86 59.076 -17.711 -7.741 1.00 21.42 H new ATOM 0 HE2 PHE A 86 59.872 -14.616 -4.921 1.00 63.23 H new ATOM 0 HZ PHE A 86 58.702 -16.695 -5.530 1.00 2.54 H new ATOM 1355 N GLY A 87 63.651 -13.944 -11.881 1.00 24.41 N ATOM 1356 CA GLY A 87 64.221 -13.043 -12.840 1.00 31.24 C ATOM 1357 C GLY A 87 65.052 -12.030 -12.157 1.00 3.13 C ATOM 1358 O GLY A 87 65.311 -10.947 -12.686 1.00 20.13 O ATOM 0 H GLY A 87 64.273 -14.700 -11.594 1.00 24.41 H new ATOM 0 HA2 GLY A 87 64.827 -13.598 -13.556 1.00 31.24 H new ATOM 0 HA3 GLY A 87 63.428 -12.553 -13.405 1.00 31.24 H new ATOM 1362 N VAL A 88 65.497 -12.373 -10.977 1.00 0.24 N ATOM 1363 CA VAL A 88 66.185 -11.389 -10.152 1.00 65.43 C ATOM 1364 C VAL A 88 67.469 -11.912 -9.523 1.00 62.04 C ATOM 1365 O VAL A 88 67.673 -13.118 -9.423 1.00 2.43 O ATOM 1366 CB VAL A 88 65.264 -10.794 -9.037 1.00 34.42 C ATOM 1367 CG1 VAL A 88 64.133 -9.961 -9.619 1.00 53.13 C ATOM 1368 CG2 VAL A 88 64.709 -11.878 -8.129 1.00 52.45 C ATOM 0 H VAL A 88 65.404 -13.301 -10.564 1.00 0.24 H new ATOM 0 HA VAL A 88 66.456 -10.595 -10.848 1.00 65.43 H new ATOM 0 HB VAL A 88 65.891 -10.135 -8.436 1.00 34.42 H new ATOM 0 HG11 VAL A 88 63.518 -9.567 -8.810 1.00 53.13 H new ATOM 0 HG12 VAL A 88 64.549 -9.134 -10.194 1.00 53.13 H new ATOM 0 HG13 VAL A 88 63.520 -10.584 -10.270 1.00 53.13 H new ATOM 0 HG21 VAL A 88 64.074 -11.425 -7.367 1.00 52.45 H new ATOM 0 HG22 VAL A 88 64.122 -12.582 -8.719 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.532 -12.406 -7.648 1.00 52.45 H new ATOM 1378 N PRO A 89 68.408 -11.007 -9.169 1.00 11.32 N ATOM 1379 CA PRO A 89 69.606 -11.379 -8.425 1.00 74.43 C ATOM 1380 C PRO A 89 69.333 -11.361 -6.908 1.00 61.01 C ATOM 1381 O PRO A 89 70.029 -12.005 -6.131 1.00 1.24 O ATOM 1382 CB PRO A 89 70.625 -10.280 -8.791 1.00 25.13 C ATOM 1383 CG PRO A 89 69.898 -9.284 -9.652 1.00 40.51 C ATOM 1384 CD PRO A 89 68.429 -9.578 -9.533 1.00 22.11 C ATOM 0 HA PRO A 89 69.953 -12.383 -8.668 1.00 74.43 H new ATOM 0 HB2 PRO A 89 71.017 -9.802 -7.893 1.00 25.13 H new ATOM 0 HB3 PRO A 89 71.476 -10.704 -9.324 1.00 25.13 H new ATOM 0 HG2 PRO A 89 70.114 -8.266 -9.328 1.00 40.51 H new ATOM 0 HG3 PRO A 89 70.223 -9.363 -10.689 1.00 40.51 H new ATOM 0 HD2 PRO A 89 67.954 -8.960 -8.771 1.00 22.11 H new ATOM 0 HD3 PRO A 89 67.902 -9.392 -10.469 1.00 22.11 H new ATOM 1392 N SER A 90 68.320 -10.590 -6.530 1.00 72.45 N ATOM 1393 CA SER A 90 67.867 -10.408 -5.178 1.00 0.12 C ATOM 1394 C SER A 90 66.500 -9.735 -5.264 1.00 72.25 C ATOM 1395 O SER A 90 66.165 -9.160 -6.317 1.00 42.34 O ATOM 1396 CB SER A 90 68.871 -9.503 -4.419 1.00 14.22 C ATOM 1397 OG SER A 90 68.477 -9.239 -3.071 1.00 32.43 O ATOM 0 H SER A 90 67.772 -10.052 -7.201 1.00 72.45 H new ATOM 0 HA SER A 90 67.796 -11.355 -4.643 1.00 0.12 H new ATOM 0 HB2 SER A 90 69.852 -9.979 -4.418 1.00 14.22 H new ATOM 0 HB3 SER A 90 68.975 -8.558 -4.953 1.00 14.22 H new ATOM 0 HG SER A 90 67.829 -9.915 -2.781 1.00 32.43 H new ATOM 1403 N PHE A 91 65.722 -9.799 -4.203 1.00 22.52 N ATOM 1404 CA PHE A 91 64.416 -9.183 -4.193 1.00 23.10 C ATOM 1405 C PHE A 91 64.079 -8.680 -2.785 1.00 42.12 C ATOM 1406 O PHE A 91 64.620 -9.175 -1.789 1.00 74.32 O ATOM 1407 CB PHE A 91 63.310 -10.145 -4.746 1.00 64.21 C ATOM 1408 CG PHE A 91 62.760 -11.223 -3.807 1.00 51.33 C ATOM 1409 CD1 PHE A 91 61.694 -10.920 -2.986 1.00 4.31 C ATOM 1410 CD2 PHE A 91 63.262 -12.535 -3.774 1.00 11.25 C ATOM 1411 CE1 PHE A 91 61.139 -11.857 -2.165 1.00 61.22 C ATOM 1412 CE2 PHE A 91 62.701 -13.477 -2.937 1.00 2.33 C ATOM 1413 CZ PHE A 91 61.638 -13.137 -2.134 1.00 72.40 C ATOM 0 H PHE A 91 65.974 -10.273 -3.336 1.00 22.52 H new ATOM 0 HA PHE A 91 64.442 -8.326 -4.865 1.00 23.10 H new ATOM 0 HB2 PHE A 91 62.472 -9.533 -5.080 1.00 64.21 H new ATOM 0 HB3 PHE A 91 63.712 -10.644 -5.628 1.00 64.21 H new ATOM 0 HD1 PHE A 91 61.290 -9.919 -2.993 1.00 4.31 H new ATOM 0 HD2 PHE A 91 64.093 -12.808 -4.408 1.00 11.25 H new ATOM 0 HE1 PHE A 91 60.302 -11.591 -1.536 1.00 61.22 H new ATOM 0 HE2 PHE A 91 63.097 -14.482 -2.912 1.00 2.33 H new ATOM 0 HZ PHE A 91 61.196 -13.874 -1.480 1.00 72.40 H new ATOM 1423 N SER A 92 63.235 -7.687 -2.708 1.00 13.21 N ATOM 1424 CA SER A 92 62.801 -7.140 -1.455 1.00 63.42 C ATOM 1425 C SER A 92 61.352 -7.563 -1.188 1.00 12.35 C ATOM 1426 O SER A 92 60.510 -7.502 -2.082 1.00 65.40 O ATOM 1427 CB SER A 92 62.923 -5.631 -1.509 1.00 64.34 C ATOM 1428 OG SER A 92 64.265 -5.234 -1.769 1.00 72.34 O ATOM 0 H SER A 92 62.826 -7.231 -3.524 1.00 13.21 H new ATOM 0 HA SER A 92 63.423 -7.515 -0.642 1.00 63.42 H new ATOM 0 HB2 SER A 92 62.267 -5.238 -2.286 1.00 64.34 H new ATOM 0 HB3 SER A 92 62.590 -5.202 -0.564 1.00 64.34 H new ATOM 0 HG SER A 92 64.316 -4.256 -1.801 1.00 72.34 H new ATOM 1434 N VAL A 93 61.074 -8.003 0.025 1.00 15.21 N ATOM 1435 CA VAL A 93 59.753 -8.527 0.362 1.00 44.32 C ATOM 1436 C VAL A 93 58.645 -7.463 0.534 1.00 70.53 C ATOM 1437 O VAL A 93 57.468 -7.809 0.468 1.00 62.34 O ATOM 1438 CB VAL A 93 59.795 -9.427 1.609 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.689 -10.622 1.384 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.252 -8.648 2.812 1.00 71.25 C ATOM 0 H VAL A 93 61.741 -8.010 0.797 1.00 15.21 H new ATOM 0 HA VAL A 93 59.480 -9.114 -0.515 1.00 44.32 H new ATOM 0 HB VAL A 93 58.784 -9.789 1.795 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.701 -11.242 2.281 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.312 -11.206 0.545 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.701 -10.283 1.164 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.275 -9.303 3.683 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.251 -8.251 2.631 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.562 -7.824 2.996 1.00 71.25 H new ATOM 1450 N LYS A 94 58.994 -6.187 0.760 1.00 25.30 N ATOM 1451 CA LYS A 94 57.938 -5.178 0.968 1.00 34.12 C ATOM 1452 C LYS A 94 57.194 -4.770 -0.280 1.00 43.13 C ATOM 1453 O LYS A 94 56.076 -4.243 -0.182 1.00 62.22 O ATOM 1454 CB LYS A 94 58.322 -3.953 1.817 1.00 44.32 C ATOM 1455 CG LYS A 94 58.271 -4.186 3.324 1.00 11.41 C ATOM 1456 CD LYS A 94 59.387 -5.074 3.828 1.00 61.24 C ATOM 1457 CE LYS A 94 59.226 -5.398 5.312 1.00 64.21 C ATOM 1458 NZ LYS A 94 59.131 -4.181 6.150 1.00 40.32 N ATOM 0 H LYS A 94 59.951 -5.838 0.803 1.00 25.30 H new ATOM 0 HA LYS A 94 57.239 -5.744 1.584 1.00 34.12 H new ATOM 0 HB2 LYS A 94 59.330 -3.640 1.545 1.00 44.32 H new ATOM 0 HB3 LYS A 94 57.653 -3.129 1.567 1.00 44.32 H new ATOM 0 HG2 LYS A 94 58.321 -3.225 3.836 1.00 11.41 H new ATOM 0 HG3 LYS A 94 57.312 -4.636 3.583 1.00 11.41 H new ATOM 0 HD2 LYS A 94 59.403 -6.000 3.253 1.00 61.24 H new ATOM 0 HD3 LYS A 94 60.346 -4.581 3.665 1.00 61.24 H new ATOM 0 HE2 LYS A 94 58.331 -6.004 5.454 1.00 64.21 H new ATOM 0 HE3 LYS A 94 60.073 -5.999 5.644 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 59.194 -4.445 7.154 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 59.910 -3.534 5.913 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 58.222 -3.707 5.973 1.00 40.32 H new ATOM 1472 N GLU A 95 57.757 -4.997 -1.449 1.00 41.22 N ATOM 1473 CA GLU A 95 56.994 -4.732 -2.629 1.00 25.25 C ATOM 1474 C GLU A 95 56.141 -5.938 -2.975 1.00 44.21 C ATOM 1475 O GLU A 95 56.485 -6.815 -3.772 1.00 11.24 O ATOM 1476 CB GLU A 95 57.777 -4.138 -3.790 1.00 62.12 C ATOM 1477 CG GLU A 95 59.015 -4.885 -4.251 1.00 1.24 C ATOM 1478 CD GLU A 95 59.661 -4.213 -5.452 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.988 -3.392 -6.153 1.00 35.23 O ATOM 1480 OE2 GLU A 95 60.839 -4.491 -5.752 1.00 30.24 O ATOM 0 H GLU A 95 58.702 -5.350 -1.596 1.00 41.22 H new ATOM 0 HA GLU A 95 56.317 -3.910 -2.397 1.00 25.25 H new ATOM 0 HB2 GLU A 95 57.102 -4.048 -4.641 1.00 62.12 H new ATOM 0 HB3 GLU A 95 58.077 -3.128 -3.512 1.00 62.12 H new ATOM 0 HG2 GLU A 95 59.734 -4.938 -3.433 1.00 1.24 H new ATOM 0 HG3 GLU A 95 58.747 -5.910 -4.507 1.00 1.24 H new ATOM 1487 N HIS A 96 55.020 -5.941 -2.324 1.00 61.03 N ATOM 1488 CA HIS A 96 54.087 -7.056 -2.236 1.00 22.11 C ATOM 1489 C HIS A 96 53.477 -7.447 -3.573 1.00 24.20 C ATOM 1490 O HIS A 96 53.247 -8.631 -3.829 1.00 4.12 O ATOM 1491 CB HIS A 96 52.986 -6.764 -1.198 1.00 0.11 C ATOM 1492 CG HIS A 96 53.506 -6.438 0.189 1.00 4.44 C ATOM 1493 ND1 HIS A 96 53.036 -5.386 0.943 1.00 0.33 N ATOM 1494 CD2 HIS A 96 54.438 -7.050 0.959 1.00 64.43 C ATOM 1495 CE1 HIS A 96 53.648 -5.357 2.106 1.00 53.21 C ATOM 1496 NE2 HIS A 96 54.508 -6.360 2.149 1.00 71.43 N ATOM 0 H HIS A 96 54.699 -5.124 -1.804 1.00 61.03 H new ATOM 0 HA HIS A 96 54.672 -7.915 -1.908 1.00 22.11 H new ATOM 0 HB2 HIS A 96 52.381 -5.929 -1.552 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.327 -7.629 -1.132 1.00 0.11 H new ATOM 0 HD2 HIS A 96 55.019 -7.919 0.689 1.00 64.43 H new ATOM 0 HE1 HIS A 96 53.477 -4.637 2.892 1.00 53.21 H new ATOM 0 HE2 HIS A 96 55.121 -6.585 2.933 1.00 71.43 H new ATOM 1504 N ARG A 97 53.261 -6.482 -4.441 1.00 61.45 N ATOM 1505 CA ARG A 97 52.643 -6.761 -5.736 1.00 2.00 C ATOM 1506 C ARG A 97 53.646 -7.398 -6.675 1.00 60.51 C ATOM 1507 O ARG A 97 53.285 -8.108 -7.630 1.00 63.44 O ATOM 1508 CB ARG A 97 52.047 -5.503 -6.348 1.00 25.22 C ATOM 1509 CG ARG A 97 50.955 -4.890 -5.503 1.00 31.52 C ATOM 1510 CD ARG A 97 50.458 -3.606 -6.109 1.00 61.22 C ATOM 1511 NE ARG A 97 49.367 -3.017 -5.330 1.00 52.14 N ATOM 1512 CZ ARG A 97 49.105 -1.707 -5.257 1.00 35.43 C ATOM 1513 NH1 ARG A 97 49.906 -0.827 -5.862 1.00 32.04 N ATOM 1514 NH2 ARG A 97 48.065 -1.277 -4.556 1.00 50.15 N ATOM 0 H ARG A 97 53.499 -5.503 -4.283 1.00 61.45 H new ATOM 0 HA ARG A 97 51.826 -7.465 -5.575 1.00 2.00 H new ATOM 0 HB2 ARG A 97 52.839 -4.768 -6.496 1.00 25.22 H new ATOM 0 HB3 ARG A 97 51.645 -5.741 -7.333 1.00 25.22 H new ATOM 0 HG2 ARG A 97 50.128 -5.594 -5.405 1.00 31.52 H new ATOM 0 HG3 ARG A 97 51.332 -4.700 -4.498 1.00 31.52 H new ATOM 0 HD2 ARG A 97 51.281 -2.894 -6.176 1.00 61.22 H new ATOM 0 HD3 ARG A 97 50.116 -3.794 -7.127 1.00 61.22 H new ATOM 0 HE ARG A 97 48.764 -3.651 -4.806 1.00 52.14 H new ATOM 0 HH11 ARG A 97 50.721 -1.153 -6.382 1.00 32.04 H new ATOM 0 HH12 ARG A 97 49.703 0.171 -5.804 1.00 32.04 H new ATOM 0 HH21 ARG A 97 47.465 -1.945 -4.072 1.00 50.15 H new ATOM 0 HH22 ARG A 97 47.865 -0.278 -4.500 1.00 50.15 H new ATOM 1528 N LYS A 98 54.906 -7.183 -6.389 1.00 3.30 N ATOM 1529 CA LYS A 98 55.960 -7.786 -7.162 1.00 1.24 C ATOM 1530 C LYS A 98 56.114 -9.207 -6.733 1.00 33.20 C ATOM 1531 O LYS A 98 56.410 -10.070 -7.539 1.00 63.32 O ATOM 1532 CB LYS A 98 57.258 -7.052 -6.972 1.00 62.12 C ATOM 1533 CG LYS A 98 57.183 -5.599 -7.342 1.00 4.31 C ATOM 1534 CD LYS A 98 56.864 -5.393 -8.803 1.00 4.22 C ATOM 1535 CE LYS A 98 56.910 -3.923 -9.144 1.00 21.35 C ATOM 1536 NZ LYS A 98 58.234 -3.331 -8.840 1.00 63.10 N ATOM 0 H LYS A 98 55.227 -6.592 -5.622 1.00 3.30 H new ATOM 0 HA LYS A 98 55.699 -7.736 -8.219 1.00 1.24 H new ATOM 0 HB2 LYS A 98 57.566 -7.138 -5.930 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.030 -7.533 -7.573 1.00 62.12 H new ATOM 0 HG2 LYS A 98 56.421 -5.111 -6.734 1.00 4.31 H new ATOM 0 HG3 LYS A 98 58.133 -5.118 -7.109 1.00 4.31 H new ATOM 0 HD2 LYS A 98 57.578 -5.939 -9.419 1.00 4.22 H new ATOM 0 HD3 LYS A 98 55.876 -5.795 -9.027 1.00 4.22 H new ATOM 0 HE2 LYS A 98 56.685 -3.788 -10.202 1.00 21.35 H new ATOM 0 HE3 LYS A 98 56.138 -3.395 -8.584 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 58.311 -2.400 -9.297 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 58.337 -3.222 -7.811 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 58.984 -3.956 -9.199 1.00 63.10 H new ATOM 1550 N ILE A 99 55.876 -9.447 -5.449 1.00 54.20 N ATOM 1551 CA ILE A 99 55.928 -10.783 -4.901 1.00 3.41 C ATOM 1552 C ILE A 99 54.931 -11.628 -5.648 1.00 32.52 C ATOM 1553 O ILE A 99 55.273 -12.675 -6.183 1.00 34.24 O ATOM 1554 CB ILE A 99 55.569 -10.815 -3.391 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.430 -9.824 -2.591 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.722 -12.228 -2.842 1.00 53.21 C ATOM 1557 CD1 ILE A 99 57.919 -10.042 -2.704 1.00 13.25 C ATOM 0 H ILE A 99 55.644 -8.723 -4.769 1.00 54.20 H new ATOM 0 HA ILE A 99 56.946 -11.158 -5.007 1.00 3.41 H new ATOM 0 HB ILE A 99 54.528 -10.509 -3.284 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.199 -8.812 -2.925 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.147 -9.885 -1.540 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.467 -12.236 -1.782 1.00 53.21 H new ATOM 0 HG22 ILE A 99 55.056 -12.902 -3.381 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.753 -12.558 -2.970 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.442 -9.296 -2.106 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.169 -11.039 -2.341 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.222 -9.949 -3.747 1.00 13.25 H new ATOM 1569 N TYR A 100 53.705 -11.118 -5.734 1.00 43.11 N ATOM 1570 CA TYR A 100 52.632 -11.797 -6.436 1.00 15.13 C ATOM 1571 C TYR A 100 53.020 -12.100 -7.864 1.00 34.44 C ATOM 1572 O TYR A 100 52.945 -13.231 -8.284 1.00 3.54 O ATOM 1573 CB TYR A 100 51.343 -10.978 -6.427 1.00 21.14 C ATOM 1574 CG TYR A 100 50.848 -10.605 -5.053 1.00 60.15 C ATOM 1575 CD1 TYR A 100 50.991 -11.468 -3.974 1.00 74.45 C ATOM 1576 CD2 TYR A 100 50.250 -9.379 -4.831 1.00 64.34 C ATOM 1577 CE1 TYR A 100 50.552 -11.120 -2.723 1.00 71.11 C ATOM 1578 CE2 TYR A 100 49.804 -9.018 -3.578 1.00 62.13 C ATOM 1579 CZ TYR A 100 49.956 -9.892 -2.524 1.00 51.34 C ATOM 1580 OH TYR A 100 49.500 -9.533 -1.267 1.00 40.22 O ATOM 0 H TYR A 100 53.433 -10.226 -5.319 1.00 43.11 H new ATOM 0 HA TYR A 100 52.455 -12.733 -5.906 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.503 -10.066 -7.001 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.564 -11.544 -6.938 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.457 -12.431 -4.124 1.00 74.45 H new ATOM 0 HD2 TYR A 100 50.130 -8.691 -5.655 1.00 64.34 H new ATOM 0 HE1 TYR A 100 50.672 -11.805 -1.896 1.00 71.11 H new ATOM 0 HE2 TYR A 100 49.338 -8.056 -3.423 1.00 62.13 H new ATOM 0 HH TYR A 100 50.257 -9.485 -0.646 1.00 40.22 H new ATOM 1590 N THR A 101 53.518 -11.103 -8.569 1.00 71.31 N ATOM 1591 CA THR A 101 53.835 -11.257 -9.978 1.00 4.12 C ATOM 1592 C THR A 101 55.037 -12.174 -10.252 1.00 22.22 C ATOM 1593 O THR A 101 55.042 -12.922 -11.241 1.00 14.53 O ATOM 1594 CB THR A 101 53.970 -9.901 -10.697 1.00 52.21 C ATOM 1595 OG1 THR A 101 54.723 -8.972 -9.889 1.00 1.34 O ATOM 1596 CG2 THR A 101 52.599 -9.329 -11.005 1.00 55.24 C ATOM 0 H THR A 101 53.713 -10.176 -8.190 1.00 71.31 H new ATOM 0 HA THR A 101 52.975 -11.771 -10.407 1.00 4.12 H new ATOM 0 HB THR A 101 54.504 -10.061 -11.634 1.00 52.21 H new ATOM 0 HG1 THR A 101 54.139 -8.589 -9.201 1.00 1.34 H new ATOM 0 HG21 THR A 101 52.710 -8.371 -11.513 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.053 -10.019 -11.648 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.048 -9.185 -10.076 1.00 55.24 H new ATOM 1604 N MET A 102 56.020 -12.166 -9.361 1.00 34.35 N ATOM 1605 CA MET A 102 57.194 -13.028 -9.517 1.00 63.42 C ATOM 1606 C MET A 102 56.816 -14.485 -9.336 1.00 13.22 C ATOM 1607 O MET A 102 57.384 -15.378 -9.972 1.00 73.13 O ATOM 1608 CB MET A 102 58.331 -12.640 -8.563 1.00 43.15 C ATOM 1609 CG MET A 102 58.987 -11.300 -8.880 1.00 11.42 C ATOM 1610 SD MET A 102 60.358 -10.888 -7.764 1.00 45.04 S ATOM 1611 CE MET A 102 59.514 -10.843 -6.186 1.00 54.24 C ATOM 0 H MET A 102 56.032 -11.578 -8.527 1.00 34.35 H new ATOM 0 HA MET A 102 57.565 -12.885 -10.532 1.00 63.42 H new ATOM 0 HB2 MET A 102 57.941 -12.609 -7.546 1.00 43.15 H new ATOM 0 HB3 MET A 102 59.093 -13.419 -8.589 1.00 43.15 H new ATOM 0 HG2 MET A 102 59.356 -11.318 -9.906 1.00 11.42 H new ATOM 0 HG3 MET A 102 58.235 -10.513 -8.825 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.181 -10.431 -5.428 1.00 54.24 H new ATOM 0 HE2 MET A 102 58.625 -10.217 -6.266 1.00 54.24 H new ATOM 0 HE3 MET A 102 59.221 -11.854 -5.901 1.00 54.24 H new ATOM 1621 N ILE A 103 55.824 -14.712 -8.515 1.00 3.21 N ATOM 1622 CA ILE A 103 55.344 -16.046 -8.253 1.00 52.20 C ATOM 1623 C ILE A 103 54.346 -16.426 -9.339 1.00 5.52 C ATOM 1624 O ILE A 103 54.373 -17.527 -9.858 1.00 70.30 O ATOM 1625 CB ILE A 103 54.673 -16.137 -6.859 1.00 14.12 C ATOM 1626 CG1 ILE A 103 55.661 -15.699 -5.776 1.00 12.42 C ATOM 1627 CG2 ILE A 103 54.200 -17.562 -6.590 1.00 5.55 C ATOM 1628 CD1 ILE A 103 55.052 -15.564 -4.391 1.00 2.12 C ATOM 0 H ILE A 103 55.326 -13.979 -8.009 1.00 3.21 H new ATOM 0 HA ILE A 103 56.188 -16.736 -8.258 1.00 52.20 H new ATOM 0 HB ILE A 103 53.808 -15.474 -6.842 1.00 14.12 H new ATOM 0 HG12 ILE A 103 56.477 -16.420 -5.732 1.00 12.42 H new ATOM 0 HG13 ILE A 103 56.096 -14.742 -6.063 1.00 12.42 H new ATOM 0 HG21 ILE A 103 53.731 -17.610 -5.607 1.00 5.55 H new ATOM 0 HG22 ILE A 103 53.478 -17.856 -7.352 1.00 5.55 H new ATOM 0 HG23 ILE A 103 55.053 -18.240 -6.618 1.00 5.55 H new ATOM 0 HD11 ILE A 103 55.821 -15.250 -3.685 1.00 2.12 H new ATOM 0 HD12 ILE A 103 54.255 -14.820 -4.415 1.00 2.12 H new ATOM 0 HD13 ILE A 103 54.642 -16.525 -4.078 1.00 2.12 H new ATOM 1640 N TYR A 104 53.507 -15.468 -9.706 1.00 40.11 N ATOM 1641 CA TYR A 104 52.491 -15.622 -10.734 1.00 44.15 C ATOM 1642 C TYR A 104 53.087 -15.996 -12.098 1.00 13.14 C ATOM 1643 O TYR A 104 52.486 -16.742 -12.867 1.00 40.12 O ATOM 1644 CB TYR A 104 51.614 -14.355 -10.762 1.00 10.23 C ATOM 1645 CG TYR A 104 51.164 -13.885 -12.103 1.00 54.34 C ATOM 1646 CD1 TYR A 104 51.956 -13.016 -12.815 1.00 54.33 C ATOM 1647 CD2 TYR A 104 49.957 -14.286 -12.642 1.00 23.41 C ATOM 1648 CE1 TYR A 104 51.567 -12.546 -14.051 1.00 5.31 C ATOM 1649 CE2 TYR A 104 49.552 -13.832 -13.877 1.00 54.14 C ATOM 1650 CZ TYR A 104 50.359 -12.959 -14.580 1.00 60.51 C ATOM 1651 OH TYR A 104 49.955 -12.497 -15.820 1.00 1.15 O ATOM 0 H TYR A 104 53.515 -14.539 -9.285 1.00 40.11 H new ATOM 0 HA TYR A 104 51.850 -16.468 -10.487 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.730 -14.539 -10.151 1.00 10.23 H new ATOM 0 HB3 TYR A 104 52.168 -13.546 -10.286 1.00 10.23 H new ATOM 0 HD1 TYR A 104 52.900 -12.696 -12.399 1.00 54.33 H new ATOM 0 HD2 TYR A 104 49.324 -14.963 -12.088 1.00 23.41 H new ATOM 0 HE1 TYR A 104 52.199 -11.863 -14.600 1.00 5.31 H new ATOM 0 HE2 TYR A 104 48.610 -14.156 -14.293 1.00 54.14 H new ATOM 0 HH TYR A 104 49.084 -12.885 -16.045 1.00 1.15 H new ATOM 1661 N ARG A 105 54.275 -15.490 -12.372 1.00 53.53 N ATOM 1662 CA ARG A 105 55.020 -15.831 -13.590 1.00 5.51 C ATOM 1663 C ARG A 105 55.462 -17.304 -13.547 1.00 13.24 C ATOM 1664 O ARG A 105 55.667 -17.955 -14.576 1.00 2.23 O ATOM 1665 CB ARG A 105 56.260 -14.925 -13.708 1.00 24.32 C ATOM 1666 CG ARG A 105 57.202 -15.299 -14.845 1.00 13.52 C ATOM 1667 CD ARG A 105 58.463 -14.470 -14.818 1.00 62.13 C ATOM 1668 NE ARG A 105 59.458 -14.967 -15.771 1.00 23.52 N ATOM 1669 CZ ARG A 105 60.722 -14.528 -15.853 1.00 63.44 C ATOM 1670 NH1 ARG A 105 61.124 -13.484 -15.114 1.00 4.40 N ATOM 1671 NH2 ARG A 105 61.578 -15.115 -16.682 1.00 43.11 N ATOM 0 H ARG A 105 54.759 -14.830 -11.763 1.00 53.53 H new ATOM 0 HA ARG A 105 54.373 -15.680 -14.454 1.00 5.51 H new ATOM 0 HB2 ARG A 105 55.931 -13.895 -13.848 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.811 -14.959 -12.768 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.459 -16.356 -14.772 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.695 -15.159 -15.799 1.00 13.52 H new ATOM 0 HD2 ARG A 105 58.222 -13.433 -15.051 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.884 -14.481 -13.813 1.00 62.13 H new ATOM 0 HE ARG A 105 59.168 -15.700 -16.419 1.00 23.52 H new ATOM 0 HH11 ARG A 105 60.467 -13.020 -14.486 1.00 4.40 H new ATOM 0 HH12 ARG A 105 62.087 -13.153 -15.180 1.00 4.40 H new ATOM 0 HH21 ARG A 105 61.274 -15.901 -17.257 1.00 43.11 H new ATOM 0 HH22 ARG A 105 62.539 -14.780 -16.744 1.00 43.11 H new ATOM 1685 N ASN A 106 55.563 -17.821 -12.357 1.00 14.40 N ATOM 1686 CA ASN A 106 56.051 -19.164 -12.137 1.00 75.13 C ATOM 1687 C ASN A 106 54.951 -20.140 -11.811 1.00 64.35 C ATOM 1688 O ASN A 106 55.196 -21.296 -11.437 1.00 43.10 O ATOM 1689 CB ASN A 106 57.153 -19.214 -11.103 1.00 32.11 C ATOM 1690 CG ASN A 106 58.461 -18.693 -11.631 1.00 41.53 C ATOM 1691 OD1 ASN A 106 59.172 -19.411 -12.294 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.806 -17.473 -11.325 1.00 61.11 N ATOM 0 H ASN A 106 55.309 -17.325 -11.503 1.00 14.40 H new ATOM 0 HA ASN A 106 56.482 -19.479 -13.087 1.00 75.13 H new ATOM 0 HB2 ASN A 106 56.857 -18.629 -10.232 1.00 32.11 H new ATOM 0 HB3 ASN A 106 57.284 -20.242 -10.766 1.00 32.11 H new ATOM 0 HD21 ASN A 106 59.699 -17.099 -11.647 1.00 61.11 H new ATOM 0 HD22 ASN A 106 58.183 -16.892 -10.764 1.00 61.11 H new ATOM 1699 N LEU A 107 53.758 -19.689 -11.937 1.00 34.24 N ATOM 1700 CA LEU A 107 52.615 -20.546 -11.768 1.00 22.31 C ATOM 1701 C LEU A 107 51.754 -20.448 -13.009 1.00 22.33 C ATOM 1702 O LEU A 107 51.954 -19.553 -13.836 1.00 3.21 O ATOM 1703 CB LEU A 107 51.839 -20.203 -10.475 1.00 10.31 C ATOM 1704 CG LEU A 107 51.182 -18.830 -10.410 1.00 32.14 C ATOM 1705 CD1 LEU A 107 49.790 -18.801 -11.019 1.00 53.04 C ATOM 1706 CD2 LEU A 107 51.218 -18.253 -9.013 1.00 33.10 C ATOM 0 H LEU A 107 53.533 -18.719 -12.160 1.00 34.24 H new ATOM 0 HA LEU A 107 52.939 -21.580 -11.649 1.00 22.31 H new ATOM 0 HB2 LEU A 107 51.064 -20.957 -10.334 1.00 10.31 H new ATOM 0 HB3 LEU A 107 52.526 -20.291 -9.633 1.00 10.31 H new ATOM 0 HG LEU A 107 51.785 -18.175 -11.039 1.00 32.14 H new ATOM 0 HD11 LEU A 107 49.379 -17.794 -10.940 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.846 -19.089 -12.069 1.00 53.04 H new ATOM 0 HD13 LEU A 107 49.145 -19.499 -10.486 1.00 53.04 H new ATOM 0 HD21 LEU A 107 50.739 -17.274 -9.011 1.00 33.10 H new ATOM 0 HD22 LEU A 107 50.687 -18.917 -8.331 1.00 33.10 H new ATOM 0 HD23 LEU A 107 52.253 -18.151 -8.688 1.00 33.10 H new ATOM 1718 N VAL A 108 50.854 -21.360 -13.169 1.00 63.11 N ATOM 1719 CA VAL A 108 49.998 -21.355 -14.315 1.00 1.01 C ATOM 1720 C VAL A 108 48.564 -21.034 -13.943 1.00 71.42 C ATOM 1721 O VAL A 108 47.987 -21.630 -13.017 1.00 31.43 O ATOM 1722 CB VAL A 108 50.106 -22.643 -15.206 1.00 35.03 C ATOM 1723 CG1 VAL A 108 51.503 -22.775 -15.795 1.00 45.42 C ATOM 1724 CG2 VAL A 108 49.738 -23.904 -14.443 1.00 72.10 C ATOM 0 H VAL A 108 50.689 -22.126 -12.516 1.00 63.11 H new ATOM 0 HA VAL A 108 50.366 -20.547 -14.947 1.00 1.01 H new ATOM 0 HB VAL A 108 49.386 -22.529 -16.016 1.00 35.03 H new ATOM 0 HG11 VAL A 108 51.556 -23.674 -16.409 1.00 45.42 H new ATOM 0 HG12 VAL A 108 51.722 -21.902 -16.410 1.00 45.42 H new ATOM 0 HG13 VAL A 108 52.233 -22.843 -14.988 1.00 45.42 H new ATOM 0 HG21 VAL A 108 49.828 -24.767 -15.102 1.00 72.10 H new ATOM 0 HG22 VAL A 108 50.410 -24.024 -13.593 1.00 72.10 H new ATOM 0 HG23 VAL A 108 48.711 -23.826 -14.085 1.00 72.10 H new ATOM 1794 N THR B 305 60.877 -10.106 12.036 1.00 33.52 N ATOM 1795 CA THR B 305 61.531 -11.245 11.474 1.00 3.31 C ATOM 1796 C THR B 305 60.903 -11.604 10.129 1.00 54.44 C ATOM 1797 O THR B 305 59.692 -11.370 9.907 1.00 34.54 O ATOM 1798 CB THR B 305 61.540 -12.486 12.432 1.00 43.20 C ATOM 1799 OG1 THR B 305 62.208 -13.595 11.786 1.00 13.01 O ATOM 1800 CG2 THR B 305 60.124 -12.903 12.822 1.00 31.13 C ATOM 0 HA THR B 305 62.574 -10.968 11.324 1.00 3.31 H new ATOM 0 HB THR B 305 62.074 -12.205 13.340 1.00 43.20 H new ATOM 0 HG1 THR B 305 62.020 -14.422 12.278 1.00 13.01 H new ATOM 0 HG21 THR B 305 60.169 -13.766 13.486 1.00 31.13 H new ATOM 0 HG22 THR B 305 59.629 -12.077 13.333 1.00 31.13 H new ATOM 0 HG23 THR B 305 59.562 -13.164 11.926 1.00 31.13 H new ATOM 1808 N PHE B 306 61.724 -12.180 9.248 1.00 23.43 N ATOM 1809 CA PHE B 306 61.322 -12.612 7.910 1.00 31.21 C ATOM 1810 C PHE B 306 60.116 -13.528 7.998 1.00 61.12 C ATOM 1811 O PHE B 306 59.156 -13.405 7.236 1.00 3.43 O ATOM 1812 CB PHE B 306 62.486 -13.354 7.233 1.00 53.41 C ATOM 1813 CG PHE B 306 62.175 -13.853 5.860 1.00 65.10 C ATOM 1814 CD1 PHE B 306 62.159 -12.985 4.787 1.00 42.23 C ATOM 1815 CD2 PHE B 306 61.890 -15.189 5.644 1.00 73.14 C ATOM 1816 CE1 PHE B 306 61.869 -13.429 3.524 1.00 4.02 C ATOM 1817 CE2 PHE B 306 61.596 -15.648 4.386 1.00 14.34 C ATOM 1818 CZ PHE B 306 61.585 -14.764 3.319 1.00 41.22 C ATOM 0 H PHE B 306 62.707 -12.362 9.450 1.00 23.43 H new ATOM 0 HA PHE B 306 61.059 -11.735 7.319 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.346 -12.686 7.179 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.777 -14.199 7.858 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.379 -11.940 4.946 1.00 42.23 H new ATOM 0 HD2 PHE B 306 61.899 -15.878 6.475 1.00 73.14 H new ATOM 0 HE1 PHE B 306 61.863 -12.739 2.694 1.00 4.02 H new ATOM 0 HE2 PHE B 306 61.374 -16.693 4.227 1.00 14.34 H new ATOM 0 HZ PHE B 306 61.354 -15.120 2.326 1.00 41.22 H new ATOM 1828 N GLU B 307 60.164 -14.381 9.001 1.00 22.24 N ATOM 1829 CA GLU B 307 59.158 -15.394 9.287 1.00 73.43 C ATOM 1830 C GLU B 307 57.766 -14.766 9.436 1.00 33.30 C ATOM 1831 O GLU B 307 56.755 -15.357 9.056 1.00 31.35 O ATOM 1832 CB GLU B 307 59.543 -16.063 10.597 1.00 34.14 C ATOM 1833 CG GLU B 307 60.951 -16.634 10.602 1.00 23.45 C ATOM 1834 CD GLU B 307 61.413 -16.981 11.987 1.00 64.23 C ATOM 1835 OE1 GLU B 307 61.159 -18.107 12.448 1.00 53.15 O ATOM 1836 OE2 GLU B 307 62.033 -16.109 12.644 1.00 13.13 O ATOM 0 H GLU B 307 60.935 -14.391 9.669 1.00 22.24 H new ATOM 0 HA GLU B 307 59.118 -16.110 8.466 1.00 73.43 H new ATOM 0 HB2 GLU B 307 59.452 -15.338 11.405 1.00 34.14 H new ATOM 0 HB3 GLU B 307 58.835 -16.865 10.807 1.00 34.14 H new ATOM 0 HG2 GLU B 307 60.983 -17.525 9.975 1.00 23.45 H new ATOM 0 HG3 GLU B 307 61.637 -15.910 10.162 1.00 23.45 H new ATOM 1843 N HIS B 308 57.733 -13.555 9.953 1.00 4.31 N ATOM 1844 CA HIS B 308 56.487 -12.875 10.219 1.00 63.23 C ATOM 1845 C HIS B 308 56.095 -12.060 9.001 1.00 43.42 C ATOM 1846 O HIS B 308 54.979 -12.162 8.511 1.00 4.03 O ATOM 1847 CB HIS B 308 56.650 -11.931 11.428 1.00 63.24 C ATOM 1848 CG HIS B 308 55.357 -11.405 12.038 1.00 24.31 C ATOM 1849 ND1 HIS B 308 55.118 -11.409 13.394 1.00 22.21 N ATOM 1850 CD2 HIS B 308 54.271 -10.810 11.481 1.00 2.42 C ATOM 1851 CE1 HIS B 308 53.961 -10.848 13.647 1.00 61.43 C ATOM 1852 NE2 HIS B 308 53.421 -10.473 12.503 1.00 65.13 N ATOM 0 H HIS B 308 58.565 -13.019 10.199 1.00 4.31 H new ATOM 0 HA HIS B 308 55.715 -13.612 10.440 1.00 63.23 H new ATOM 0 HB2 HIS B 308 57.207 -12.457 12.203 1.00 63.24 H new ATOM 0 HB3 HIS B 308 57.257 -11.080 11.121 1.00 63.24 H new ATOM 0 HD2 HIS B 308 54.107 -10.635 10.428 1.00 2.42 H new ATOM 0 HE1 HIS B 308 53.524 -10.715 14.626 1.00 61.43 H new ATOM 0 HE2 HIS B 308 52.519 -10.009 12.396 1.00 65.13 H new ATOM 1860 N LEU B 309 57.038 -11.282 8.502 1.00 64.14 N ATOM 1861 CA LEU B 309 56.773 -10.326 7.436 1.00 52.01 C ATOM 1862 C LEU B 309 56.384 -10.959 6.093 1.00 42.30 C ATOM 1863 O LEU B 309 55.527 -10.435 5.390 1.00 13.44 O ATOM 1864 CB LEU B 309 57.909 -9.276 7.325 1.00 30.00 C ATOM 1865 CG LEU B 309 59.362 -9.768 7.151 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.595 -10.376 5.791 1.00 10.42 C ATOM 1867 CD2 LEU B 309 60.347 -8.649 7.408 1.00 12.40 C ATOM 0 H LEU B 309 58.007 -11.293 8.821 1.00 64.14 H new ATOM 0 HA LEU B 309 55.870 -9.791 7.729 1.00 52.01 H new ATOM 0 HB2 LEU B 309 57.677 -8.627 6.481 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.875 -8.657 8.222 1.00 30.00 H new ATOM 0 HG LEU B 309 59.524 -10.551 7.891 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.630 -10.708 5.713 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.929 -11.228 5.655 1.00 10.42 H new ATOM 0 HD13 LEU B 309 59.394 -9.632 5.020 1.00 10.42 H new ATOM 0 HD21 LEU B 309 61.363 -9.022 7.279 1.00 12.40 H new ATOM 0 HD22 LEU B 309 60.166 -7.837 6.704 1.00 12.40 H new ATOM 0 HD23 LEU B 309 60.222 -8.281 8.426 1.00 12.40 H new ATOM 1879 N TRP B 310 56.958 -12.105 5.780 1.00 43.14 N ATOM 1880 CA TRP B 310 56.683 -12.779 4.527 1.00 14.01 C ATOM 1881 C TRP B 310 55.291 -13.377 4.580 1.00 31.23 C ATOM 1882 O TRP B 310 54.538 -13.338 3.619 1.00 14.12 O ATOM 1883 CB TRP B 310 57.761 -13.850 4.249 1.00 43.11 C ATOM 1884 CG TRP B 310 57.477 -14.729 3.068 1.00 74.31 C ATOM 1885 CD1 TRP B 310 56.884 -15.936 3.105 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.762 -14.472 1.687 1.00 15.41 C ATOM 1887 NE1 TRP B 310 56.779 -16.462 1.847 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.303 -15.586 0.956 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.352 -13.420 1.000 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.416 -15.675 -0.424 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.462 -13.510 -0.372 1.00 70.43 C ATOM 1892 CH2 TRP B 310 57.995 -14.627 -1.071 1.00 52.42 C ATOM 0 H TRP B 310 57.623 -12.591 6.382 1.00 43.14 H new ATOM 0 HA TRP B 310 56.718 -12.066 3.703 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.718 -13.352 4.093 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.869 -14.477 5.134 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.538 -16.423 4.005 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.372 -17.368 1.616 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.717 -12.551 1.528 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.059 -16.540 -0.963 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 58.919 -12.699 -0.919 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.096 -14.659 -2.146 1.00 52.42 H new ATOM 1903 N SER B 311 54.928 -13.843 5.741 1.00 14.42 N ATOM 1904 CA SER B 311 53.635 -14.434 5.950 1.00 14.14 C ATOM 1905 C SER B 311 52.555 -13.336 6.046 1.00 41.41 C ATOM 1906 O SER B 311 51.356 -13.606 6.001 1.00 31.14 O ATOM 1907 CB SER B 311 53.686 -15.258 7.228 1.00 42.43 C ATOM 1908 OG SER B 311 54.815 -16.130 7.201 1.00 14.24 O ATOM 0 H SER B 311 55.520 -13.824 6.571 1.00 14.42 H new ATOM 0 HA SER B 311 53.376 -15.079 5.110 1.00 14.14 H new ATOM 0 HB2 SER B 311 53.746 -14.598 8.094 1.00 42.43 H new ATOM 0 HB3 SER B 311 52.770 -15.839 7.333 1.00 42.43 H new ATOM 0 HG SER B 311 55.482 -15.821 7.849 1.00 14.24 H new ATOM 1914 N SER B 312 53.001 -12.098 6.117 1.00 1.11 N ATOM 1915 CA SER B 312 52.122 -10.977 6.279 1.00 11.44 C ATOM 1916 C SER B 312 52.068 -10.139 5.015 1.00 60.40 C ATOM 1917 O SER B 312 51.572 -9.012 5.034 1.00 41.34 O ATOM 1918 CB SER B 312 52.594 -10.137 7.458 1.00 21.31 C ATOM 1919 OG SER B 312 52.595 -10.910 8.655 1.00 22.34 O ATOM 0 H SER B 312 53.989 -11.849 6.063 1.00 1.11 H new ATOM 0 HA SER B 312 51.114 -11.343 6.474 1.00 11.44 H new ATOM 0 HB2 SER B 312 53.597 -9.757 7.263 1.00 21.31 H new ATOM 0 HB3 SER B 312 51.943 -9.271 7.578 1.00 21.31 H new ATOM 0 HG SER B 312 53.375 -11.504 8.660 1.00 22.34 H new ATOM 1925 N LEU B 313 52.541 -10.685 3.897 1.00 4.23 N ATOM 1926 CA LEU B 313 52.528 -9.911 2.682 1.00 14.51 C ATOM 1927 C LEU B 313 51.145 -9.930 2.034 1.00 52.23 C ATOM 1928 O LEU B 313 50.853 -9.139 1.134 1.00 52.02 O ATOM 1929 CB LEU B 313 53.700 -10.261 1.736 1.00 61.41 C ATOM 1930 CG LEU B 313 53.757 -11.637 1.087 1.00 1.40 C ATOM 1931 CD1 LEU B 313 52.848 -11.717 -0.126 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.177 -11.965 0.709 1.00 23.23 C ATOM 0 H LEU B 313 52.923 -11.627 3.817 1.00 4.23 H new ATOM 0 HA LEU B 313 52.714 -8.869 2.941 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.704 -9.522 0.935 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.624 -10.127 2.298 1.00 61.41 H new ATOM 0 HG LEU B 313 53.401 -12.371 1.810 1.00 1.40 H new ATOM 0 HD11 LEU B 313 52.913 -12.713 -0.565 1.00 73.31 H new ATOM 0 HD12 LEU B 313 51.819 -11.521 0.177 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.158 -10.975 -0.862 1.00 73.31 H new ATOM 0 HD21 LEU B 313 55.212 -12.951 0.245 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.548 -11.220 0.005 1.00 23.23 H new ATOM 0 HD23 LEU B 313 55.801 -11.962 1.603 1.00 23.23 H new ATOM 1944 N GLU B 314 50.314 -10.858 2.475 1.00 50.02 N ATOM 1945 CA GLU B 314 48.915 -10.827 2.152 1.00 22.11 C ATOM 1946 C GLU B 314 48.134 -10.428 3.374 1.00 24.03 C ATOM 1947 O GLU B 314 48.495 -10.815 4.497 1.00 52.11 O ATOM 1948 CB GLU B 314 48.346 -12.140 1.630 1.00 41.12 C ATOM 1949 CG GLU B 314 48.738 -12.488 0.228 1.00 31.33 C ATOM 1950 CD GLU B 314 47.864 -13.585 -0.337 1.00 73.45 C ATOM 1951 OE1 GLU B 314 46.652 -13.341 -0.545 1.00 13.23 O ATOM 1952 OE2 GLU B 314 48.332 -14.685 -0.571 1.00 40.53 O ATOM 0 H GLU B 314 50.595 -11.644 3.061 1.00 50.02 H new ATOM 0 HA GLU B 314 48.820 -10.105 1.341 1.00 22.11 H new ATOM 0 HB2 GLU B 314 48.666 -12.945 2.291 1.00 41.12 H new ATOM 0 HB3 GLU B 314 47.258 -12.095 1.686 1.00 41.12 H new ATOM 0 HG2 GLU B 314 48.664 -11.602 -0.402 1.00 31.33 H new ATOM 0 HG3 GLU B 314 49.780 -12.806 0.209 1.00 31.33 H new ATOM 1959 N PRO B 315 47.068 -9.647 3.185 1.00 10.45 N ATOM 1960 CA PRO B 315 46.188 -9.231 4.274 1.00 54.32 C ATOM 1961 C PRO B 315 45.453 -10.420 4.857 1.00 3.22 C ATOM 1962 O PRO B 315 45.351 -10.561 6.080 1.00 2.51 O ATOM 1963 CB PRO B 315 45.202 -8.258 3.610 1.00 25.23 C ATOM 1964 CG PRO B 315 45.274 -8.550 2.146 1.00 44.42 C ATOM 1965 CD PRO B 315 46.646 -9.107 1.883 1.00 62.12 C ATOM 0 HA PRO B 315 46.735 -8.776 5.100 1.00 54.32 H new ATOM 0 HB2 PRO B 315 44.191 -8.405 3.990 1.00 25.23 H new ATOM 0 HB3 PRO B 315 45.473 -7.223 3.817 1.00 25.23 H new ATOM 0 HG2 PRO B 315 44.504 -9.265 1.856 1.00 44.42 H new ATOM 0 HG3 PRO B 315 45.105 -7.645 1.562 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.622 -9.883 1.118 1.00 62.12 H new ATOM 0 HD3 PRO B 315 47.330 -8.334 1.531 1.00 62.12 H new ATOM 1973 N ASP B 316 44.995 -11.283 3.976 1.00 41.21 N ATOM 1974 CA ASP B 316 44.249 -12.467 4.320 1.00 41.22 C ATOM 1975 C ASP B 316 43.907 -13.190 3.067 1.00 10.30 C ATOM 1976 O ASP B 316 44.320 -14.326 2.912 1.00 0.00 O ATOM 1977 CB ASP B 316 42.971 -12.163 5.095 1.00 11.05 C ATOM 1978 CG ASP B 316 42.137 -13.415 5.321 1.00 61.13 C ATOM 1979 OD1 ASP B 316 42.574 -14.307 6.096 1.00 1.52 O ATOM 1980 OD2 ASP B 316 41.029 -13.519 4.771 1.00 52.21 O ATOM 1981 OXT ASP B 316 43.293 -12.576 2.180 1.00 0.00 O ATOM 0 H ASP B 316 45.137 -11.174 2.972 1.00 41.21 H new ATOM 0 HA ASP B 316 44.875 -13.075 4.973 1.00 41.22 H new ATOM 0 HB2 ASP B 316 43.226 -11.718 6.057 1.00 11.05 H new ATOM 0 HB3 ASP B 316 42.381 -11.427 4.549 1.00 11.05 H new