USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 GLN : amide:sc= 0.773 X(o=1.5,f=1.1) USER MOD Set 1.2: B 305 THR OG1 : rot 180:sc= 0.699 USER MOD Set 2.1: A 62 MET CE :methyl 159:sc= -0.0955 (180deg=-0.612) USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 36 LYS NZ :NH3+ 177:sc= 0.356 (180deg=0.329) USER MOD Set 3.2: A 60 TYR OH : rot -151:sc= 1.15 USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= 0.994 (180deg=0.251) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.09) USER MOD Single : A 40 SER OG : rot 95:sc= 1.28 USER MOD Single : A 44 GLN : amide:sc= -0.519 K(o=-0.52,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= 1.2 (180deg=1.07) USER MOD Single : A 47 THR OG1 : rot 31:sc= -0.0106 USER MOD Single : A 48 TYR OH : rot -120:sc= -0.217 USER MOD Single : A 49 THR OG1 : rot -90:sc= 1.02 USER MOD Single : A 50 MET CE :methyl -170:sc= -0.392 (180deg=-0.705) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.15) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.0255 X(o=0.025,f=-0.42) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.2) USER MOD Single : A 71 GLN : amide:sc= 0.638 K(o=0.64,f=-0.77) USER MOD Single : A 73 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-0.45) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 6:sc= -0.468 USER MOD Single : A 78 SER OG : rot -57:sc= 1.08 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 90 SER OG : rot 150:sc= -1.23 USER MOD Single : A 92 SER OG : rot 39:sc= 1.23 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 10:sc= 1.33 USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 102 MET CE :methyl -148:sc= -1.23 (180deg=-2.27!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -1.14! C(o=-1.1!,f=-4.5!) USER MOD Single : B 308 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : B 311 SER OG : rot 112:sc= 1.18 USER MOD Single : B 312 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 333 N LEU A 27 43.146 -21.092 -5.951 1.00 5.11 N ATOM 334 CA LEU A 27 44.265 -21.989 -6.092 1.00 60.50 C ATOM 335 C LEU A 27 44.979 -21.748 -7.403 1.00 75.55 C ATOM 336 O LEU A 27 44.355 -21.678 -8.474 1.00 13.21 O ATOM 337 CB LEU A 27 43.823 -23.443 -6.015 1.00 70.13 C ATOM 338 CG LEU A 27 43.264 -23.909 -4.684 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.778 -25.327 -4.798 1.00 0.21 C ATOM 340 CD2 LEU A 27 44.311 -23.804 -3.593 1.00 40.21 C ATOM 0 HA LEU A 27 44.948 -21.789 -5.267 1.00 60.50 H new ATOM 0 HB2 LEU A 27 43.066 -23.611 -6.781 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.676 -24.073 -6.267 1.00 70.13 H new ATOM 0 HG LEU A 27 42.426 -23.264 -4.418 1.00 24.53 H new ATOM 0 HD11 LEU A 27 42.378 -25.653 -3.838 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.996 -25.384 -5.555 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.607 -25.974 -5.084 1.00 0.21 H new ATOM 0 HD21 LEU A 27 43.887 -24.144 -2.648 1.00 40.21 H new ATOM 0 HD22 LEU A 27 45.168 -24.426 -3.850 1.00 40.21 H new ATOM 0 HD23 LEU A 27 44.632 -22.767 -3.495 1.00 40.21 H new ATOM 352 N VAL A 28 46.255 -21.605 -7.316 1.00 40.25 N ATOM 353 CA VAL A 28 47.091 -21.413 -8.468 1.00 11.42 C ATOM 354 C VAL A 28 47.895 -22.677 -8.716 1.00 51.22 C ATOM 355 O VAL A 28 48.064 -23.504 -7.804 1.00 23.41 O ATOM 356 CB VAL A 28 47.997 -20.170 -8.308 1.00 72.31 C ATOM 357 CG1 VAL A 28 47.144 -18.927 -8.068 1.00 1.12 C ATOM 358 CG2 VAL A 28 48.988 -20.344 -7.185 1.00 61.10 C ATOM 0 H VAL A 28 46.764 -21.617 -6.432 1.00 40.25 H new ATOM 0 HA VAL A 28 46.465 -21.222 -9.340 1.00 11.42 H new ATOM 0 HB VAL A 28 48.561 -20.049 -9.233 1.00 72.31 H new ATOM 0 HG11 VAL A 28 47.792 -18.057 -7.957 1.00 1.12 H new ATOM 0 HG12 VAL A 28 46.475 -18.775 -8.915 1.00 1.12 H new ATOM 0 HG13 VAL A 28 46.555 -19.059 -7.160 1.00 1.12 H new ATOM 0 HG21 VAL A 28 49.607 -19.450 -7.104 1.00 61.10 H new ATOM 0 HG22 VAL A 28 48.453 -20.501 -6.249 1.00 61.10 H new ATOM 0 HG23 VAL A 28 49.622 -21.207 -7.390 1.00 61.10 H new ATOM 368 N ARG A 29 48.347 -22.847 -9.931 1.00 35.24 N ATOM 369 CA ARG A 29 49.033 -24.066 -10.340 1.00 74.24 C ATOM 370 C ARG A 29 50.515 -23.780 -10.498 1.00 40.32 C ATOM 371 O ARG A 29 50.886 -23.138 -11.430 1.00 20.51 O ATOM 372 CB ARG A 29 48.496 -24.514 -11.703 1.00 11.01 C ATOM 373 CG ARG A 29 46.990 -24.629 -11.815 1.00 63.52 C ATOM 374 CD ARG A 29 46.449 -25.616 -10.833 1.00 40.33 C ATOM 375 NE ARG A 29 46.950 -26.976 -11.075 1.00 65.21 N ATOM 376 CZ ARG A 29 46.270 -28.116 -10.899 1.00 15.23 C ATOM 377 NH1 ARG A 29 45.016 -28.106 -10.460 1.00 52.24 N ATOM 378 NH2 ARG A 29 46.854 -29.264 -11.164 1.00 32.15 N ATOM 0 H ARG A 29 48.255 -22.151 -10.671 1.00 35.24 H new ATOM 0 HA ARG A 29 48.869 -24.838 -9.588 1.00 74.24 H new ATOM 0 HB2 ARG A 29 48.844 -23.810 -12.458 1.00 11.01 H new ATOM 0 HB3 ARG A 29 48.934 -25.483 -11.944 1.00 11.01 H new ATOM 0 HG2 ARG A 29 46.534 -23.654 -11.643 1.00 63.52 H new ATOM 0 HG3 ARG A 29 46.720 -24.933 -12.826 1.00 63.52 H new ATOM 0 HD2 ARG A 29 46.719 -25.306 -9.824 1.00 40.33 H new ATOM 0 HD3 ARG A 29 45.360 -25.618 -10.885 1.00 40.33 H new ATOM 0 HE ARG A 29 47.910 -27.060 -11.410 1.00 65.21 H new ATOM 0 HH11 ARG A 29 44.556 -27.220 -10.251 1.00 52.24 H new ATOM 0 HH12 ARG A 29 44.513 -28.984 -10.332 1.00 52.24 H new ATOM 0 HH21 ARG A 29 47.817 -29.281 -11.500 1.00 32.15 H new ATOM 0 HH22 ARG A 29 46.344 -30.138 -11.033 1.00 32.15 H new ATOM 392 N PRO A 30 51.365 -24.213 -9.591 1.00 1.41 N ATOM 393 CA PRO A 30 52.803 -23.930 -9.682 1.00 43.14 C ATOM 394 C PRO A 30 53.538 -24.711 -10.772 1.00 24.23 C ATOM 395 O PRO A 30 53.200 -25.859 -11.088 1.00 23.12 O ATOM 396 CB PRO A 30 53.332 -24.367 -8.329 1.00 54.02 C ATOM 397 CG PRO A 30 52.380 -25.426 -7.889 1.00 53.23 C ATOM 398 CD PRO A 30 51.035 -25.000 -8.392 1.00 55.33 C ATOM 0 HA PRO A 30 52.961 -22.882 -9.937 1.00 43.14 H new ATOM 0 HB2 PRO A 30 54.349 -24.752 -8.404 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.357 -23.536 -7.624 1.00 54.02 H new ATOM 0 HG2 PRO A 30 52.660 -26.397 -8.296 1.00 53.23 H new ATOM 0 HG3 PRO A 30 52.378 -25.524 -6.803 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.404 -25.856 -8.632 1.00 55.33 H new ATOM 0 HD3 PRO A 30 50.498 -24.405 -7.654 1.00 55.33 H new ATOM 406 N LYS A 31 54.524 -24.062 -11.352 1.00 71.41 N ATOM 407 CA LYS A 31 55.465 -24.699 -12.247 1.00 13.12 C ATOM 408 C LYS A 31 56.353 -25.652 -11.410 1.00 60.43 C ATOM 409 O LYS A 31 56.452 -25.476 -10.178 1.00 12.54 O ATOM 410 CB LYS A 31 56.324 -23.617 -12.957 1.00 45.42 C ATOM 411 CG LYS A 31 55.551 -22.752 -13.952 1.00 33.03 C ATOM 412 CD LYS A 31 56.427 -21.650 -14.545 1.00 44.22 C ATOM 413 CE LYS A 31 55.661 -20.816 -15.576 1.00 72.11 C ATOM 414 NZ LYS A 31 56.457 -19.666 -16.082 1.00 53.45 N ATOM 0 H LYS A 31 54.697 -23.066 -11.214 1.00 71.41 H new ATOM 0 HA LYS A 31 54.944 -25.270 -13.016 1.00 13.12 H new ATOM 0 HB2 LYS A 31 56.770 -22.970 -12.201 1.00 45.42 H new ATOM 0 HB3 LYS A 31 57.144 -24.107 -13.481 1.00 45.42 H new ATOM 0 HG2 LYS A 31 55.163 -23.379 -14.754 1.00 33.03 H new ATOM 0 HG3 LYS A 31 54.691 -22.304 -13.453 1.00 33.03 H new ATOM 0 HD2 LYS A 31 56.787 -21.001 -13.747 1.00 44.22 H new ATOM 0 HD3 LYS A 31 57.304 -22.095 -15.015 1.00 44.22 H new ATOM 0 HE2 LYS A 31 55.375 -21.452 -16.413 1.00 72.11 H new ATOM 0 HE3 LYS A 31 54.739 -20.446 -15.127 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 56.234 -19.504 -17.085 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 56.223 -18.814 -15.533 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 57.471 -19.875 -15.982 1.00 53.45 H new ATOM 428 N PRO A 32 57.033 -26.646 -12.046 1.00 4.31 N ATOM 429 CA PRO A 32 57.877 -27.664 -11.350 1.00 5.12 C ATOM 430 C PRO A 32 58.929 -27.055 -10.420 1.00 74.20 C ATOM 431 O PRO A 32 59.362 -27.679 -9.447 1.00 50.13 O ATOM 432 CB PRO A 32 58.571 -28.396 -12.511 1.00 54.05 C ATOM 433 CG PRO A 32 58.406 -27.479 -13.668 1.00 52.24 C ATOM 434 CD PRO A 32 57.049 -26.893 -13.496 1.00 71.25 C ATOM 0 HA PRO A 32 57.272 -28.300 -10.704 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.623 -28.579 -12.294 1.00 54.05 H new ATOM 0 HB3 PRO A 32 58.112 -29.366 -12.702 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.174 -26.705 -13.672 1.00 52.24 H new ATOM 0 HG3 PRO A 32 58.489 -28.015 -14.613 1.00 52.24 H new ATOM 0 HD2 PRO A 32 56.919 -25.977 -14.072 1.00 71.25 H new ATOM 0 HD3 PRO A 32 56.261 -27.579 -13.806 1.00 71.25 H new ATOM 442 N LEU A 33 59.314 -25.842 -10.712 1.00 43.22 N ATOM 443 CA LEU A 33 60.299 -25.132 -9.935 1.00 61.34 C ATOM 444 C LEU A 33 59.721 -24.732 -8.569 1.00 33.42 C ATOM 445 O LEU A 33 60.371 -24.865 -7.530 1.00 21.42 O ATOM 446 CB LEU A 33 60.793 -23.931 -10.732 1.00 61.22 C ATOM 447 CG LEU A 33 61.406 -24.285 -12.097 1.00 51.04 C ATOM 448 CD1 LEU A 33 61.761 -23.045 -12.878 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.631 -25.174 -11.926 1.00 21.44 C ATOM 0 H LEU A 33 58.950 -25.312 -11.504 1.00 43.22 H new ATOM 0 HA LEU A 33 61.154 -25.778 -9.734 1.00 61.34 H new ATOM 0 HB2 LEU A 33 59.960 -23.246 -10.888 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.537 -23.398 -10.140 1.00 61.22 H new ATOM 0 HG LEU A 33 60.654 -24.835 -12.663 1.00 51.04 H new ATOM 0 HD11 LEU A 33 62.192 -23.330 -13.838 1.00 51.51 H new ATOM 0 HD12 LEU A 33 60.863 -22.451 -13.046 1.00 51.51 H new ATOM 0 HD13 LEU A 33 62.486 -22.456 -12.316 1.00 51.51 H new ATOM 0 HD21 LEU A 33 63.048 -25.411 -12.905 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.379 -24.652 -11.330 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.344 -26.096 -11.421 1.00 21.44 H new ATOM 461 N LEU A 34 58.484 -24.307 -8.555 1.00 3.45 N ATOM 462 CA LEU A 34 57.855 -23.989 -7.295 1.00 64.14 C ATOM 463 C LEU A 34 57.464 -25.254 -6.595 1.00 22.24 C ATOM 464 O LEU A 34 57.563 -25.352 -5.391 1.00 75.12 O ATOM 465 CB LEU A 34 56.688 -23.000 -7.431 1.00 35.35 C ATOM 466 CG LEU A 34 57.067 -21.506 -7.373 1.00 62.21 C ATOM 467 CD1 LEU A 34 58.096 -21.134 -8.425 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.831 -20.634 -7.498 1.00 52.54 C ATOM 0 H LEU A 34 57.901 -24.174 -9.381 1.00 3.45 H new ATOM 0 HA LEU A 34 58.585 -23.464 -6.679 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.182 -23.191 -8.378 1.00 35.35 H new ATOM 0 HB3 LEU A 34 55.968 -23.204 -6.638 1.00 35.35 H new ATOM 0 HG LEU A 34 57.524 -21.328 -6.400 1.00 62.21 H new ATOM 0 HD11 LEU A 34 58.331 -20.073 -8.345 1.00 72.03 H new ATOM 0 HD12 LEU A 34 59.003 -21.719 -8.270 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.694 -21.343 -9.417 1.00 72.03 H new ATOM 0 HD21 LEU A 34 56.121 -19.584 -7.455 1.00 52.54 H new ATOM 0 HD22 LEU A 34 55.338 -20.836 -8.449 1.00 52.54 H new ATOM 0 HD23 LEU A 34 55.145 -20.855 -6.680 1.00 52.54 H new ATOM 480 N LEU A 35 57.090 -26.255 -7.373 1.00 65.12 N ATOM 481 CA LEU A 35 56.796 -27.571 -6.839 1.00 5.32 C ATOM 482 C LEU A 35 57.998 -28.164 -6.125 1.00 54.41 C ATOM 483 O LEU A 35 57.840 -28.831 -5.096 1.00 53.44 O ATOM 484 CB LEU A 35 56.311 -28.502 -7.928 1.00 2.42 C ATOM 485 CG LEU A 35 54.889 -28.251 -8.406 1.00 12.12 C ATOM 486 CD1 LEU A 35 54.603 -29.097 -9.606 1.00 24.24 C ATOM 487 CD2 LEU A 35 53.898 -28.582 -7.298 1.00 71.40 C ATOM 0 H LEU A 35 56.983 -26.179 -8.384 1.00 65.12 H new ATOM 0 HA LEU A 35 55.997 -27.454 -6.106 1.00 5.32 H new ATOM 0 HB2 LEU A 35 56.984 -28.420 -8.781 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.380 -29.528 -7.565 1.00 2.42 H new ATOM 0 HG LEU A 35 54.786 -27.199 -8.672 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.583 -28.914 -9.945 1.00 24.24 H new ATOM 0 HD12 LEU A 35 55.302 -28.845 -10.404 1.00 24.24 H new ATOM 0 HD13 LEU A 35 54.715 -30.149 -9.345 1.00 24.24 H new ATOM 0 HD21 LEU A 35 52.883 -28.399 -7.651 1.00 71.40 H new ATOM 0 HD22 LEU A 35 54.001 -29.631 -7.019 1.00 71.40 H new ATOM 0 HD23 LEU A 35 54.099 -27.954 -6.430 1.00 71.40 H new ATOM 499 N LYS A 36 59.205 -27.883 -6.641 1.00 42.34 N ATOM 500 CA LYS A 36 60.411 -28.384 -6.013 1.00 34.14 C ATOM 501 C LYS A 36 60.555 -27.746 -4.639 1.00 62.12 C ATOM 502 O LYS A 36 60.867 -28.421 -3.675 1.00 31.42 O ATOM 503 CB LYS A 36 61.708 -28.141 -6.868 1.00 22.41 C ATOM 504 CG LYS A 36 62.410 -26.791 -6.653 1.00 43.13 C ATOM 505 CD LYS A 36 63.588 -26.568 -7.589 1.00 75.31 C ATOM 506 CE LYS A 36 64.284 -25.230 -7.297 1.00 21.21 C ATOM 507 NZ LYS A 36 64.955 -25.194 -5.966 1.00 23.02 N ATOM 0 H LYS A 36 59.358 -27.320 -7.478 1.00 42.34 H new ATOM 0 HA LYS A 36 60.308 -29.466 -5.926 1.00 34.14 H new ATOM 0 HB2 LYS A 36 62.419 -28.937 -6.649 1.00 22.41 H new ATOM 0 HB3 LYS A 36 61.447 -28.229 -7.923 1.00 22.41 H new ATOM 0 HG2 LYS A 36 61.687 -25.987 -6.793 1.00 43.13 H new ATOM 0 HG3 LYS A 36 62.758 -26.731 -5.622 1.00 43.13 H new ATOM 0 HD2 LYS A 36 64.302 -27.384 -7.480 1.00 75.31 H new ATOM 0 HD3 LYS A 36 63.243 -26.583 -8.623 1.00 75.31 H new ATOM 0 HE2 LYS A 36 65.023 -25.035 -8.074 1.00 21.21 H new ATOM 0 HE3 LYS A 36 63.549 -24.427 -7.348 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 65.448 -24.286 -5.850 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 64.243 -25.300 -5.215 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 65.643 -25.972 -5.903 1.00 23.02 H new ATOM 521 N LEU A 37 60.243 -26.450 -4.537 1.00 21.34 N ATOM 522 CA LEU A 37 60.421 -25.770 -3.275 1.00 4.13 C ATOM 523 C LEU A 37 59.316 -26.147 -2.290 1.00 55.22 C ATOM 524 O LEU A 37 59.572 -26.369 -1.106 1.00 44.31 O ATOM 525 CB LEU A 37 60.610 -24.227 -3.458 1.00 20.40 C ATOM 526 CG LEU A 37 59.442 -23.358 -3.961 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.458 -23.028 -2.842 1.00 0.31 C ATOM 528 CD2 LEU A 37 59.970 -22.085 -4.605 1.00 24.22 C ATOM 0 H LEU A 37 59.877 -25.875 -5.296 1.00 21.34 H new ATOM 0 HA LEU A 37 61.354 -26.115 -2.830 1.00 4.13 H new ATOM 0 HB2 LEU A 37 60.922 -23.823 -2.495 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.441 -24.083 -4.148 1.00 20.40 H new ATOM 0 HG LEU A 37 58.899 -23.934 -4.711 1.00 70.33 H new ATOM 0 HD11 LEU A 37 57.649 -22.414 -3.238 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.046 -23.952 -2.435 1.00 0.31 H new ATOM 0 HD13 LEU A 37 58.975 -22.482 -2.052 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.133 -21.481 -4.956 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.545 -21.518 -3.873 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.610 -22.343 -5.449 1.00 24.22 H new ATOM 540 N LEU A 38 58.110 -26.283 -2.809 1.00 2.01 N ATOM 541 CA LEU A 38 56.950 -26.632 -2.015 1.00 62.52 C ATOM 542 C LEU A 38 57.086 -28.015 -1.428 1.00 61.11 C ATOM 543 O LEU A 38 56.941 -28.214 -0.228 1.00 21.21 O ATOM 544 CB LEU A 38 55.686 -26.576 -2.866 1.00 42.14 C ATOM 545 CG LEU A 38 55.297 -25.216 -3.429 1.00 23.53 C ATOM 546 CD1 LEU A 38 54.162 -25.380 -4.406 1.00 63.33 C ATOM 547 CD2 LEU A 38 54.902 -24.252 -2.320 1.00 34.23 C ATOM 0 H LEU A 38 57.908 -26.153 -3.800 1.00 2.01 H new ATOM 0 HA LEU A 38 56.880 -25.908 -1.203 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.807 -27.267 -3.700 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.855 -26.945 -2.265 1.00 42.14 H new ATOM 0 HG LEU A 38 56.161 -24.795 -3.943 1.00 23.53 H new ATOM 0 HD11 LEU A 38 53.885 -24.406 -4.808 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.475 -26.033 -5.221 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.304 -25.820 -3.897 1.00 63.33 H new ATOM 0 HD21 LEU A 38 54.630 -23.290 -2.754 1.00 34.23 H new ATOM 0 HD22 LEU A 38 54.051 -24.657 -1.772 1.00 34.23 H new ATOM 0 HD23 LEU A 38 55.742 -24.118 -1.638 1.00 34.23 H new ATOM 559 N LYS A 39 57.412 -28.979 -2.246 1.00 4.41 N ATOM 560 CA LYS A 39 57.456 -30.330 -1.768 1.00 72.50 C ATOM 561 C LYS A 39 58.684 -30.592 -0.921 1.00 71.11 C ATOM 562 O LYS A 39 58.709 -31.527 -0.120 1.00 23.23 O ATOM 563 CB LYS A 39 57.215 -31.342 -2.888 1.00 34.33 C ATOM 564 CG LYS A 39 55.808 -31.192 -3.475 1.00 51.34 C ATOM 565 CD LYS A 39 55.479 -32.229 -4.529 1.00 50.31 C ATOM 566 CE LYS A 39 54.043 -32.050 -5.024 1.00 14.03 C ATOM 567 NZ LYS A 39 53.646 -33.065 -6.026 1.00 31.25 N ATOM 0 H LYS A 39 57.647 -28.856 -3.231 1.00 4.41 H new ATOM 0 HA LYS A 39 56.618 -30.474 -1.086 1.00 72.50 H new ATOM 0 HB2 LYS A 39 57.957 -31.202 -3.674 1.00 34.33 H new ATOM 0 HB3 LYS A 39 57.346 -32.353 -2.503 1.00 34.33 H new ATOM 0 HG2 LYS A 39 55.077 -31.260 -2.669 1.00 51.34 H new ATOM 0 HG3 LYS A 39 55.709 -30.198 -3.911 1.00 51.34 H new ATOM 0 HD2 LYS A 39 56.172 -32.139 -5.365 1.00 50.31 H new ATOM 0 HD3 LYS A 39 55.606 -33.230 -4.116 1.00 50.31 H new ATOM 0 HE2 LYS A 39 53.363 -32.101 -4.174 1.00 14.03 H new ATOM 0 HE3 LYS A 39 53.936 -31.056 -5.459 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 52.689 -32.853 -6.374 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 54.316 -33.048 -6.822 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 53.654 -34.008 -5.587 1.00 31.25 H new ATOM 581 N SER A 40 59.670 -29.711 -1.021 1.00 51.14 N ATOM 582 CA SER A 40 60.822 -29.788 -0.154 1.00 42.10 C ATOM 583 C SER A 40 60.448 -29.371 1.268 1.00 14.45 C ATOM 584 O SER A 40 61.070 -29.803 2.217 1.00 42.43 O ATOM 585 CB SER A 40 61.982 -28.927 -0.657 1.00 12.23 C ATOM 586 OG SER A 40 62.483 -29.398 -1.892 1.00 61.15 O ATOM 0 H SER A 40 59.690 -28.942 -1.691 1.00 51.14 H new ATOM 0 HA SER A 40 61.154 -30.826 -0.155 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.648 -27.895 -0.769 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.782 -28.925 0.084 1.00 12.23 H new ATOM 0 HG SER A 40 62.055 -28.910 -2.626 1.00 61.15 H new ATOM 592 N VAL A 41 59.410 -28.553 1.414 1.00 11.22 N ATOM 593 CA VAL A 41 59.012 -28.099 2.742 1.00 71.41 C ATOM 594 C VAL A 41 57.871 -28.928 3.299 1.00 64.32 C ATOM 595 O VAL A 41 57.377 -28.680 4.406 1.00 51.12 O ATOM 596 CB VAL A 41 58.699 -26.582 2.803 1.00 30.34 C ATOM 597 CG1 VAL A 41 59.886 -25.795 2.293 1.00 44.32 C ATOM 598 CG2 VAL A 41 57.436 -26.220 2.035 1.00 74.11 C ATOM 0 H VAL A 41 58.840 -28.197 0.647 1.00 11.22 H new ATOM 0 HA VAL A 41 59.880 -28.253 3.383 1.00 71.41 H new ATOM 0 HB VAL A 41 58.514 -26.321 3.845 1.00 30.34 H new ATOM 0 HG11 VAL A 41 59.662 -24.729 2.337 1.00 44.32 H new ATOM 0 HG12 VAL A 41 60.757 -26.009 2.912 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.095 -26.079 1.262 1.00 44.32 H new ATOM 0 HG21 VAL A 41 57.261 -25.147 2.108 1.00 74.11 H new ATOM 0 HG22 VAL A 41 57.555 -26.497 0.988 1.00 74.11 H new ATOM 0 HG23 VAL A 41 56.587 -26.756 2.458 1.00 74.11 H new ATOM 608 N GLY A 42 57.473 -29.917 2.536 1.00 13.41 N ATOM 609 CA GLY A 42 56.463 -30.827 2.985 1.00 34.34 C ATOM 610 C GLY A 42 55.090 -30.501 2.470 1.00 74.23 C ATOM 611 O GLY A 42 54.101 -30.759 3.150 1.00 22.34 O ATOM 0 H GLY A 42 57.837 -30.107 1.602 1.00 13.41 H new ATOM 0 HA2 GLY A 42 56.730 -31.836 2.672 1.00 34.34 H new ATOM 0 HA3 GLY A 42 56.443 -30.826 4.075 1.00 34.34 H new ATOM 615 N ALA A 43 55.004 -29.959 1.273 1.00 52.43 N ATOM 616 CA ALA A 43 53.709 -29.666 0.683 1.00 31.35 C ATOM 617 C ALA A 43 53.092 -30.939 0.172 1.00 13.11 C ATOM 618 O ALA A 43 53.714 -31.671 -0.614 1.00 2.23 O ATOM 619 CB ALA A 43 53.835 -28.683 -0.457 1.00 2.41 C ATOM 0 H ALA A 43 55.806 -29.713 0.692 1.00 52.43 H new ATOM 0 HA ALA A 43 53.078 -29.222 1.453 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.849 -28.485 -0.877 1.00 2.41 H new ATOM 0 HB2 ALA A 43 54.267 -27.752 -0.089 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.481 -29.102 -1.229 1.00 2.41 H new ATOM 625 N GLN A 44 51.908 -31.229 0.629 1.00 11.11 N ATOM 626 CA GLN A 44 51.210 -32.423 0.199 1.00 14.10 C ATOM 627 C GLN A 44 50.298 -32.091 -0.973 1.00 41.31 C ATOM 628 O GLN A 44 49.974 -32.953 -1.799 1.00 14.35 O ATOM 629 CB GLN A 44 50.401 -32.997 1.355 1.00 34.11 C ATOM 630 CG GLN A 44 51.231 -33.226 2.607 1.00 12.52 C ATOM 631 CD GLN A 44 50.468 -33.886 3.745 1.00 43.54 C ATOM 632 OE1 GLN A 44 51.056 -34.601 4.552 1.00 52.22 O ATOM 633 NE2 GLN A 44 49.181 -33.682 3.816 1.00 5.12 N ATOM 0 H GLN A 44 51.398 -30.657 1.302 1.00 11.11 H new ATOM 0 HA GLN A 44 51.937 -33.169 -0.121 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.581 -32.318 1.589 1.00 34.11 H new ATOM 0 HB3 GLN A 44 49.954 -33.942 1.044 1.00 34.11 H new ATOM 0 HG2 GLN A 44 52.090 -33.846 2.352 1.00 12.52 H new ATOM 0 HG3 GLN A 44 51.620 -32.268 2.952 1.00 12.52 H new ATOM 0 HE21 GLN A 44 48.721 -33.083 3.131 1.00 5.12 H new ATOM 0 HE22 GLN A 44 48.635 -34.122 4.557 1.00 5.12 H new ATOM 642 N LYS A 45 49.938 -30.829 -1.058 1.00 34.22 N ATOM 643 CA LYS A 45 49.040 -30.336 -2.078 1.00 1.22 C ATOM 644 C LYS A 45 49.835 -29.959 -3.312 1.00 34.45 C ATOM 645 O LYS A 45 51.014 -29.611 -3.216 1.00 73.42 O ATOM 646 CB LYS A 45 48.297 -29.082 -1.580 1.00 41.14 C ATOM 647 CG LYS A 45 47.462 -29.280 -0.322 1.00 41.43 C ATOM 648 CD LYS A 45 46.796 -27.972 0.145 1.00 52.41 C ATOM 649 CE LYS A 45 45.761 -27.439 -0.855 1.00 2.42 C ATOM 650 NZ LYS A 45 45.076 -26.222 -0.348 1.00 21.35 N ATOM 0 H LYS A 45 50.264 -30.109 -0.414 1.00 34.22 H new ATOM 0 HA LYS A 45 48.320 -31.120 -2.311 1.00 1.22 H new ATOM 0 HB2 LYS A 45 49.029 -28.297 -1.391 1.00 41.14 H new ATOM 0 HB3 LYS A 45 47.645 -28.725 -2.377 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.694 -30.029 -0.512 1.00 41.43 H new ATOM 0 HG3 LYS A 45 48.096 -29.668 0.475 1.00 41.43 H new ATOM 0 HD2 LYS A 45 46.311 -28.140 1.107 1.00 52.41 H new ATOM 0 HD3 LYS A 45 47.564 -27.215 0.303 1.00 52.41 H new ATOM 0 HE2 LYS A 45 46.253 -27.211 -1.800 1.00 2.42 H new ATOM 0 HE3 LYS A 45 45.021 -28.213 -1.059 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 44.771 -25.636 -1.151 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 44.246 -26.499 0.214 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 45.731 -25.678 0.249 1.00 21.35 H new ATOM 664 N ASP A 46 49.197 -30.034 -4.456 1.00 71.23 N ATOM 665 CA ASP A 46 49.821 -29.628 -5.711 1.00 33.11 C ATOM 666 C ASP A 46 49.330 -28.251 -6.075 1.00 43.41 C ATOM 667 O ASP A 46 49.759 -27.658 -7.062 1.00 45.42 O ATOM 668 CB ASP A 46 49.501 -30.599 -6.859 1.00 22.43 C ATOM 669 CG ASP A 46 50.027 -31.995 -6.642 1.00 54.13 C ATOM 670 OD1 ASP A 46 51.240 -32.238 -6.842 1.00 72.22 O ATOM 671 OD2 ASP A 46 49.226 -32.897 -6.310 1.00 45.24 O ATOM 0 H ASP A 46 48.240 -30.373 -4.552 1.00 71.23 H new ATOM 0 HA ASP A 46 50.901 -29.633 -5.567 1.00 33.11 H new ATOM 0 HB2 ASP A 46 48.420 -30.645 -6.992 1.00 22.43 H new ATOM 0 HB3 ASP A 46 49.920 -30.203 -7.784 1.00 22.43 H new ATOM 676 N THR A 47 48.415 -27.749 -5.274 1.00 73.34 N ATOM 677 CA THR A 47 47.851 -26.446 -5.465 1.00 64.41 C ATOM 678 C THR A 47 47.849 -25.689 -4.170 1.00 71.43 C ATOM 679 O THR A 47 47.844 -26.293 -3.092 1.00 40.44 O ATOM 680 CB THR A 47 46.424 -26.505 -6.028 1.00 20.33 C ATOM 681 OG1 THR A 47 45.633 -27.485 -5.329 1.00 44.41 O ATOM 682 CG2 THR A 47 46.437 -26.794 -7.500 1.00 54.35 C ATOM 0 H THR A 47 48.043 -28.246 -4.465 1.00 73.34 H new ATOM 0 HA THR A 47 48.475 -25.931 -6.196 1.00 64.41 H new ATOM 0 HB THR A 47 45.968 -25.527 -5.877 1.00 20.33 H new ATOM 0 HG1 THR A 47 45.939 -27.551 -4.400 1.00 44.41 H new ATOM 0 HG21 THR A 47 45.413 -26.830 -7.873 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.985 -26.008 -8.020 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.922 -27.754 -7.678 1.00 54.35 H new ATOM 690 N TYR A 48 47.848 -24.393 -4.262 1.00 21.32 N ATOM 691 CA TYR A 48 47.892 -23.558 -3.094 1.00 72.11 C ATOM 692 C TYR A 48 47.303 -22.207 -3.414 1.00 63.32 C ATOM 693 O TYR A 48 47.122 -21.866 -4.597 1.00 44.22 O ATOM 694 CB TYR A 48 49.344 -23.404 -2.614 1.00 30.34 C ATOM 695 CG TYR A 48 50.270 -22.799 -3.648 1.00 40.51 C ATOM 696 CD1 TYR A 48 50.372 -21.431 -3.809 1.00 21.34 C ATOM 697 CD2 TYR A 48 51.024 -23.598 -4.468 1.00 63.43 C ATOM 698 CE1 TYR A 48 51.198 -20.885 -4.756 1.00 2.02 C ATOM 699 CE2 TYR A 48 51.847 -23.055 -5.415 1.00 12.51 C ATOM 700 CZ TYR A 48 51.933 -21.700 -5.556 1.00 2.34 C ATOM 701 OH TYR A 48 52.755 -21.160 -6.510 1.00 72.12 O ATOM 0 H TYR A 48 47.817 -23.883 -5.145 1.00 21.32 H new ATOM 0 HA TYR A 48 47.308 -24.021 -2.298 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.357 -22.781 -1.720 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.727 -24.383 -2.326 1.00 30.34 H new ATOM 0 HD1 TYR A 48 49.789 -20.779 -3.176 1.00 21.34 H new ATOM 0 HD2 TYR A 48 50.967 -24.672 -4.364 1.00 63.43 H new ATOM 0 HE1 TYR A 48 51.264 -19.813 -4.866 1.00 2.02 H new ATOM 0 HE2 TYR A 48 52.431 -23.701 -6.054 1.00 12.51 H new ATOM 0 HH TYR A 48 52.481 -21.478 -7.396 1.00 72.12 H new ATOM 711 N THR A 49 46.992 -21.467 -2.395 1.00 4.35 N ATOM 712 CA THR A 49 46.506 -20.140 -2.535 1.00 1.34 C ATOM 713 C THR A 49 47.647 -19.166 -2.254 1.00 15.00 C ATOM 714 O THR A 49 48.747 -19.585 -1.852 1.00 52.25 O ATOM 715 CB THR A 49 45.346 -19.880 -1.546 1.00 51.02 C ATOM 716 OG1 THR A 49 45.750 -20.253 -0.220 1.00 64.22 O ATOM 717 CG2 THR A 49 44.104 -20.661 -1.926 1.00 61.52 C ATOM 0 H THR A 49 47.072 -21.779 -1.427 1.00 4.35 H new ATOM 0 HA THR A 49 46.132 -19.999 -3.549 1.00 1.34 H new ATOM 0 HB THR A 49 45.107 -18.817 -1.584 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.530 -21.195 -0.064 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.310 -20.453 -1.209 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.779 -20.365 -2.923 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.329 -21.728 -1.920 1.00 61.52 H new ATOM 725 N MET A 50 47.371 -17.892 -2.413 1.00 21.14 N ATOM 726 CA MET A 50 48.350 -16.805 -2.188 1.00 1.43 C ATOM 727 C MET A 50 48.869 -16.854 -0.728 1.00 72.53 C ATOM 728 O MET A 50 50.027 -16.563 -0.443 1.00 74.21 O ATOM 729 CB MET A 50 47.653 -15.460 -2.442 1.00 22.31 C ATOM 730 CG MET A 50 48.524 -14.202 -2.379 1.00 4.50 C ATOM 731 SD MET A 50 49.145 -13.630 -3.991 1.00 33.11 S ATOM 732 CE MET A 50 50.454 -14.783 -4.377 1.00 73.31 C ATOM 0 H MET A 50 46.453 -17.557 -2.706 1.00 21.14 H new ATOM 0 HA MET A 50 49.196 -16.924 -2.865 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.187 -15.501 -3.427 1.00 22.31 H new ATOM 0 HB3 MET A 50 46.849 -15.352 -1.714 1.00 22.31 H new ATOM 0 HG2 MET A 50 47.947 -13.399 -1.921 1.00 4.50 H new ATOM 0 HG3 MET A 50 49.374 -14.397 -1.725 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.012 -14.424 -5.242 1.00 73.31 H new ATOM 0 HE2 MET A 50 51.126 -14.870 -3.523 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.024 -15.759 -4.602 1.00 73.31 H new ATOM 742 N LYS A 51 48.004 -17.258 0.169 1.00 14.32 N ATOM 743 CA LYS A 51 48.346 -17.345 1.583 1.00 64.44 C ATOM 744 C LYS A 51 49.194 -18.571 1.872 1.00 30.11 C ATOM 745 O LYS A 51 50.177 -18.500 2.597 1.00 14.04 O ATOM 746 CB LYS A 51 47.083 -17.400 2.408 1.00 41.10 C ATOM 747 CG LYS A 51 46.205 -16.193 2.224 1.00 73.21 C ATOM 748 CD LYS A 51 44.953 -16.311 3.036 1.00 42.42 C ATOM 749 CE LYS A 51 44.062 -15.124 2.817 1.00 70.32 C ATOM 750 NZ LYS A 51 42.828 -15.204 3.607 1.00 25.31 N ATOM 0 H LYS A 51 47.047 -17.536 -0.049 1.00 14.32 H new ATOM 0 HA LYS A 51 48.925 -16.460 1.846 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.521 -18.295 2.141 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.348 -17.492 3.461 1.00 41.10 H new ATOM 0 HG2 LYS A 51 46.749 -15.295 2.517 1.00 73.21 H new ATOM 0 HG3 LYS A 51 45.950 -16.082 1.170 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.423 -17.224 2.765 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.206 -16.391 4.093 1.00 42.42 H new ATOM 0 HE2 LYS A 51 44.601 -14.214 3.080 1.00 70.32 H new ATOM 0 HE3 LYS A 51 43.810 -15.051 1.759 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 42.404 -14.258 3.685 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 42.157 -15.847 3.139 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 43.047 -15.564 4.558 1.00 25.31 H new ATOM 764 N GLU A 52 48.822 -19.674 1.268 1.00 55.54 N ATOM 765 CA GLU A 52 49.504 -20.947 1.476 1.00 75.23 C ATOM 766 C GLU A 52 50.926 -20.890 0.983 1.00 14.34 C ATOM 767 O GLU A 52 51.835 -21.425 1.623 1.00 34.14 O ATOM 768 CB GLU A 52 48.755 -22.078 0.803 1.00 51.14 C ATOM 769 CG GLU A 52 47.432 -22.397 1.446 1.00 60.21 C ATOM 770 CD GLU A 52 46.642 -23.385 0.648 1.00 40.45 C ATOM 771 OE1 GLU A 52 46.784 -24.597 0.853 1.00 34.40 O ATOM 772 OE2 GLU A 52 45.849 -22.951 -0.207 1.00 4.25 O ATOM 0 H GLU A 52 48.039 -19.724 0.617 1.00 55.54 H new ATOM 0 HA GLU A 52 49.525 -21.139 2.549 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.587 -21.819 -0.242 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.379 -22.972 0.814 1.00 51.14 H new ATOM 0 HG2 GLU A 52 47.602 -22.794 2.447 1.00 60.21 H new ATOM 0 HG3 GLU A 52 46.855 -21.480 1.560 1.00 60.21 H new ATOM 779 N VAL A 53 51.129 -20.220 -0.136 1.00 43.32 N ATOM 780 CA VAL A 53 52.456 -20.062 -0.664 1.00 51.12 C ATOM 781 C VAL A 53 53.309 -19.219 0.263 1.00 21.10 C ATOM 782 O VAL A 53 54.434 -19.544 0.471 1.00 11.23 O ATOM 783 CB VAL A 53 52.463 -19.538 -2.116 1.00 30.31 C ATOM 784 CG1 VAL A 53 51.764 -18.215 -2.271 1.00 1.34 C ATOM 785 CG2 VAL A 53 53.855 -19.493 -2.685 1.00 10.42 C ATOM 0 H VAL A 53 50.392 -19.782 -0.688 1.00 43.32 H new ATOM 0 HA VAL A 53 52.906 -21.054 -0.712 1.00 51.12 H new ATOM 0 HB VAL A 53 51.887 -20.258 -2.697 1.00 30.31 H new ATOM 0 HG11 VAL A 53 51.804 -17.902 -3.314 1.00 1.34 H new ATOM 0 HG12 VAL A 53 50.723 -18.315 -1.962 1.00 1.34 H new ATOM 0 HG13 VAL A 53 52.257 -17.468 -1.649 1.00 1.34 H new ATOM 0 HG21 VAL A 53 53.818 -19.119 -3.708 1.00 10.42 H new ATOM 0 HG22 VAL A 53 54.475 -18.832 -2.079 1.00 10.42 H new ATOM 0 HG23 VAL A 53 54.282 -20.496 -2.681 1.00 10.42 H new ATOM 795 N LEU A 54 52.747 -18.172 0.848 1.00 70.30 N ATOM 796 CA LEU A 54 53.477 -17.384 1.863 1.00 2.43 C ATOM 797 C LEU A 54 54.049 -18.297 2.936 1.00 14.03 C ATOM 798 O LEU A 54 55.225 -18.233 3.247 1.00 21.52 O ATOM 799 CB LEU A 54 52.593 -16.334 2.546 1.00 11.33 C ATOM 800 CG LEU A 54 51.948 -15.285 1.660 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.279 -14.226 2.493 1.00 70.35 C ATOM 802 CD2 LEU A 54 52.941 -14.704 0.676 1.00 72.44 C ATOM 0 H LEU A 54 51.802 -17.842 0.650 1.00 70.30 H new ATOM 0 HA LEU A 54 54.275 -16.868 1.329 1.00 2.43 H new ATOM 0 HB2 LEU A 54 51.801 -16.857 3.081 1.00 11.33 H new ATOM 0 HB3 LEU A 54 53.197 -15.819 3.293 1.00 11.33 H new ATOM 0 HG LEU A 54 51.172 -15.768 1.066 1.00 21.01 H new ATOM 0 HD11 LEU A 54 50.823 -13.483 1.839 1.00 70.35 H new ATOM 0 HD12 LEU A 54 50.510 -14.684 3.114 1.00 70.35 H new ATOM 0 HD13 LEU A 54 52.020 -13.742 3.130 1.00 70.35 H new ATOM 0 HD21 LEU A 54 52.445 -13.956 0.057 1.00 72.44 H new ATOM 0 HD22 LEU A 54 53.762 -14.238 1.220 1.00 72.44 H new ATOM 0 HD23 LEU A 54 53.332 -15.499 0.041 1.00 72.44 H new ATOM 814 N PHE A 55 53.233 -19.188 3.440 1.00 3.44 N ATOM 815 CA PHE A 55 53.682 -20.087 4.482 1.00 31.34 C ATOM 816 C PHE A 55 54.722 -21.064 3.944 1.00 34.30 C ATOM 817 O PHE A 55 55.855 -21.073 4.394 1.00 13.01 O ATOM 818 CB PHE A 55 52.512 -20.849 5.124 1.00 43.03 C ATOM 819 CG PHE A 55 51.466 -19.966 5.746 1.00 50.44 C ATOM 820 CD1 PHE A 55 51.802 -19.058 6.737 1.00 43.53 C ATOM 821 CD2 PHE A 55 50.150 -20.036 5.329 1.00 13.12 C ATOM 822 CE1 PHE A 55 50.844 -18.241 7.298 1.00 44.21 C ATOM 823 CE2 PHE A 55 49.189 -19.222 5.884 1.00 72.04 C ATOM 824 CZ PHE A 55 49.535 -18.325 6.871 1.00 42.14 C ATOM 0 H PHE A 55 52.263 -19.313 3.152 1.00 3.44 H new ATOM 0 HA PHE A 55 54.144 -19.476 5.258 1.00 31.34 H new ATOM 0 HB2 PHE A 55 52.040 -21.473 4.365 1.00 43.03 H new ATOM 0 HB3 PHE A 55 52.906 -21.520 5.888 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.826 -18.990 7.074 1.00 43.53 H new ATOM 0 HD2 PHE A 55 49.872 -20.739 4.557 1.00 13.12 H new ATOM 0 HE1 PHE A 55 51.118 -17.537 8.070 1.00 44.21 H new ATOM 0 HE2 PHE A 55 48.165 -19.286 5.546 1.00 72.04 H new ATOM 0 HZ PHE A 55 48.782 -17.688 7.310 1.00 42.14 H new ATOM 834 N TYR A 56 54.346 -21.815 2.934 1.00 63.30 N ATOM 835 CA TYR A 56 55.192 -22.876 2.375 1.00 1.22 C ATOM 836 C TYR A 56 56.474 -22.341 1.728 1.00 62.54 C ATOM 837 O TYR A 56 57.569 -22.838 1.998 1.00 21.03 O ATOM 838 CB TYR A 56 54.429 -23.696 1.340 1.00 51.34 C ATOM 839 CG TYR A 56 53.289 -24.576 1.855 1.00 64.03 C ATOM 840 CD1 TYR A 56 52.556 -24.261 2.997 1.00 1.33 C ATOM 841 CD2 TYR A 56 52.937 -25.711 1.159 1.00 33.42 C ATOM 842 CE1 TYR A 56 51.511 -25.065 3.422 1.00 50.53 C ATOM 843 CE2 TYR A 56 51.902 -26.521 1.576 1.00 32.12 C ATOM 844 CZ TYR A 56 51.192 -26.197 2.704 1.00 61.21 C ATOM 845 OH TYR A 56 50.148 -27.008 3.112 1.00 44.45 O ATOM 0 H TYR A 56 53.445 -21.717 2.467 1.00 63.30 H new ATOM 0 HA TYR A 56 55.474 -23.504 3.220 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.019 -23.010 0.599 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.143 -24.336 0.821 1.00 51.34 H new ATOM 0 HD1 TYR A 56 52.807 -23.375 3.561 1.00 1.33 H new ATOM 0 HD2 TYR A 56 53.484 -25.973 0.266 1.00 33.42 H new ATOM 0 HE1 TYR A 56 50.951 -24.807 4.309 1.00 50.53 H new ATOM 0 HE2 TYR A 56 51.651 -27.409 1.015 1.00 32.12 H new ATOM 0 HH TYR A 56 50.058 -27.762 2.493 1.00 44.45 H new ATOM 855 N LEU A 57 56.339 -21.317 0.897 1.00 33.41 N ATOM 856 CA LEU A 57 57.472 -20.755 0.175 1.00 40.31 C ATOM 857 C LEU A 57 58.394 -20.110 1.198 1.00 40.54 C ATOM 858 O LEU A 57 59.620 -20.206 1.113 1.00 5.14 O ATOM 859 CB LEU A 57 56.981 -19.724 -0.890 1.00 53.03 C ATOM 860 CG LEU A 57 57.893 -19.444 -2.117 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.213 -18.511 -3.102 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.233 -18.870 -1.736 1.00 3.30 C ATOM 0 H LEU A 57 55.450 -20.856 0.705 1.00 33.41 H new ATOM 0 HA LEU A 57 58.013 -21.532 -0.366 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.016 -20.066 -1.264 1.00 53.03 H new ATOM 0 HB3 LEU A 57 56.808 -18.776 -0.381 1.00 53.03 H new ATOM 0 HG LEU A 57 58.066 -20.413 -2.584 1.00 24.54 H new ATOM 0 HD11 LEU A 57 57.874 -18.333 -3.950 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.286 -18.965 -3.453 1.00 53.32 H new ATOM 0 HD13 LEU A 57 56.989 -17.564 -2.611 1.00 53.32 H new ATOM 0 HD21 LEU A 57 59.824 -18.697 -2.636 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.088 -17.927 -1.209 1.00 3.30 H new ATOM 0 HD23 LEU A 57 59.758 -19.571 -1.087 1.00 3.30 H new ATOM 874 N GLY A 58 57.771 -19.531 2.206 1.00 34.05 N ATOM 875 CA GLY A 58 58.485 -18.902 3.289 1.00 74.30 C ATOM 876 C GLY A 58 59.344 -19.880 4.038 1.00 10.41 C ATOM 877 O GLY A 58 60.468 -19.542 4.431 1.00 32.52 O ATOM 0 H GLY A 58 56.756 -19.486 2.293 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.108 -18.099 2.895 1.00 74.30 H new ATOM 0 HA3 GLY A 58 57.773 -18.445 3.976 1.00 74.30 H new ATOM 881 N GLN A 59 58.846 -21.121 4.196 1.00 63.23 N ATOM 882 CA GLN A 59 59.597 -22.159 4.890 1.00 64.13 C ATOM 883 C GLN A 59 60.897 -22.382 4.159 1.00 12.12 C ATOM 884 O GLN A 59 61.962 -22.372 4.756 1.00 60.00 O ATOM 885 CB GLN A 59 58.844 -23.503 4.907 1.00 61.45 C ATOM 886 CG GLN A 59 57.423 -23.465 5.416 1.00 71.21 C ATOM 887 CD GLN A 59 57.284 -22.904 6.805 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.182 -23.019 7.643 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.158 -22.321 7.065 1.00 73.55 N ATOM 0 H GLN A 59 57.933 -21.418 3.852 1.00 63.23 H new ATOM 0 HA GLN A 59 59.751 -21.826 5.917 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.834 -23.903 3.893 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.409 -24.204 5.521 1.00 61.45 H new ATOM 0 HG2 GLN A 59 56.819 -22.868 4.732 1.00 71.21 H new ATOM 0 HG3 GLN A 59 57.016 -24.476 5.401 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.443 -22.248 6.342 1.00 73.55 H new ATOM 0 HE22 GLN A 59 55.986 -21.935 7.993 1.00 73.55 H new ATOM 898 N TYR A 60 60.784 -22.500 2.842 1.00 52.35 N ATOM 899 CA TYR A 60 61.895 -22.812 1.962 1.00 12.25 C ATOM 900 C TYR A 60 62.977 -21.742 2.029 1.00 54.12 C ATOM 901 O TYR A 60 64.163 -22.055 2.117 1.00 53.15 O ATOM 902 CB TYR A 60 61.381 -22.963 0.533 1.00 33.44 C ATOM 903 CG TYR A 60 62.365 -23.576 -0.432 1.00 22.14 C ATOM 904 CD1 TYR A 60 62.603 -24.943 -0.417 1.00 22.44 C ATOM 905 CD2 TYR A 60 63.027 -22.805 -1.379 1.00 3.25 C ATOM 906 CE1 TYR A 60 63.469 -25.527 -1.310 1.00 63.13 C ATOM 907 CE2 TYR A 60 63.889 -23.386 -2.287 1.00 41.23 C ATOM 908 CZ TYR A 60 64.104 -24.748 -2.245 1.00 64.01 C ATOM 909 OH TYR A 60 64.943 -25.336 -3.157 1.00 62.05 O ATOM 0 H TYR A 60 59.899 -22.379 2.350 1.00 52.35 H new ATOM 0 HA TYR A 60 62.344 -23.750 2.290 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.480 -23.576 0.549 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.092 -21.980 0.160 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.098 -25.560 0.311 1.00 22.44 H new ATOM 0 HD2 TYR A 60 62.865 -21.738 -1.405 1.00 3.25 H new ATOM 0 HE1 TYR A 60 63.649 -26.591 -1.276 1.00 63.13 H new ATOM 0 HE2 TYR A 60 64.392 -22.779 -3.025 1.00 41.23 H new ATOM 0 HH TYR A 60 65.637 -24.697 -3.423 1.00 62.05 H new ATOM 919 N ILE A 61 62.559 -20.491 2.049 1.00 22.33 N ATOM 920 CA ILE A 61 63.488 -19.375 2.070 1.00 54.32 C ATOM 921 C ILE A 61 64.214 -19.352 3.406 1.00 22.41 C ATOM 922 O ILE A 61 65.418 -19.084 3.470 1.00 45.34 O ATOM 923 CB ILE A 61 62.763 -18.015 1.877 1.00 71.30 C ATOM 924 CG1 ILE A 61 61.876 -18.038 0.636 1.00 3.12 C ATOM 925 CG2 ILE A 61 63.780 -16.871 1.732 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.108 -16.749 0.405 1.00 12.42 C ATOM 0 H ILE A 61 61.576 -20.220 2.051 1.00 22.33 H new ATOM 0 HA ILE A 61 64.189 -19.511 1.246 1.00 54.32 H new ATOM 0 HB ILE A 61 62.146 -17.850 2.761 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.495 -18.242 -0.237 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.167 -18.861 0.723 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.250 -15.928 1.598 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.397 -16.816 2.629 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.415 -17.057 0.866 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.501 -16.844 -0.495 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.461 -16.553 1.260 1.00 12.42 H new ATOM 0 HD13 ILE A 61 61.810 -15.924 0.284 1.00 12.42 H new ATOM 938 N MET A 62 63.490 -19.670 4.464 1.00 72.44 N ATOM 939 CA MET A 62 64.063 -19.648 5.787 1.00 41.23 C ATOM 940 C MET A 62 64.967 -20.850 6.042 1.00 61.21 C ATOM 941 O MET A 62 66.083 -20.694 6.494 1.00 12.42 O ATOM 942 CB MET A 62 63.002 -19.560 6.891 1.00 32.32 C ATOM 943 CG MET A 62 62.134 -18.320 6.829 1.00 13.52 C ATOM 944 SD MET A 62 61.035 -18.146 8.252 1.00 44.31 S ATOM 945 CE MET A 62 62.229 -17.880 9.569 1.00 63.31 C ATOM 0 H MET A 62 62.508 -19.945 4.428 1.00 72.44 H new ATOM 0 HA MET A 62 64.667 -18.741 5.824 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.361 -20.440 6.833 1.00 32.32 H new ATOM 0 HB3 MET A 62 63.500 -19.592 7.860 1.00 32.32 H new ATOM 0 HG2 MET A 62 62.774 -17.440 6.763 1.00 13.52 H new ATOM 0 HG3 MET A 62 61.536 -18.349 5.918 1.00 13.52 H new ATOM 0 HE1 MET A 62 61.738 -17.396 10.413 1.00 63.31 H new ATOM 0 HE2 MET A 62 62.638 -18.839 9.888 1.00 63.31 H new ATOM 0 HE3 MET A 62 63.036 -17.244 9.205 1.00 63.31 H new ATOM 955 N THR A 63 64.494 -22.030 5.685 1.00 24.30 N ATOM 956 CA THR A 63 65.197 -23.294 5.999 1.00 13.21 C ATOM 957 C THR A 63 66.497 -23.454 5.194 1.00 64.20 C ATOM 958 O THR A 63 67.449 -24.113 5.629 1.00 74.44 O ATOM 959 CB THR A 63 64.267 -24.543 5.800 1.00 32.20 C ATOM 960 OG1 THR A 63 64.903 -25.739 6.278 1.00 73.21 O ATOM 961 CG2 THR A 63 63.898 -24.747 4.334 1.00 71.34 C ATOM 0 H THR A 63 63.621 -22.156 5.173 1.00 24.30 H new ATOM 0 HA THR A 63 65.468 -23.238 7.053 1.00 13.21 H new ATOM 0 HB THR A 63 63.361 -24.348 6.373 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.304 -26.503 6.145 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.254 -25.621 4.239 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.372 -23.867 3.965 1.00 71.34 H new ATOM 0 HG23 THR A 63 64.805 -24.899 3.748 1.00 71.34 H new ATOM 969 N LYS A 64 66.539 -22.860 4.030 1.00 74.50 N ATOM 970 CA LYS A 64 67.729 -22.922 3.197 1.00 35.22 C ATOM 971 C LYS A 64 68.605 -21.736 3.492 1.00 24.12 C ATOM 972 O LYS A 64 69.792 -21.708 3.135 1.00 50.03 O ATOM 973 CB LYS A 64 67.341 -22.909 1.733 1.00 41.22 C ATOM 974 CG LYS A 64 66.497 -24.078 1.290 1.00 22.42 C ATOM 975 CD LYS A 64 67.269 -25.384 1.329 1.00 13.51 C ATOM 976 CE LYS A 64 66.422 -26.555 0.849 1.00 12.10 C ATOM 977 NZ LYS A 64 67.185 -27.821 0.843 1.00 42.24 N ATOM 0 H LYS A 64 65.767 -22.326 3.630 1.00 74.50 H new ATOM 0 HA LYS A 64 68.269 -23.844 3.414 1.00 35.22 H new ATOM 0 HB2 LYS A 64 66.798 -21.987 1.524 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.250 -22.887 1.131 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.620 -24.156 1.933 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.135 -23.901 0.277 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.159 -25.299 0.705 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.610 -25.575 2.347 1.00 13.51 H new ATOM 0 HE2 LYS A 64 65.549 -26.660 1.494 1.00 12.10 H new ATOM 0 HE3 LYS A 64 66.053 -26.349 -0.156 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 66.573 -28.593 0.510 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 68.004 -27.730 0.208 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 67.515 -28.032 1.806 1.00 42.24 H new ATOM 991 N ARG A 65 68.000 -20.770 4.157 1.00 62.41 N ATOM 992 CA ARG A 65 68.622 -19.500 4.506 1.00 10.24 C ATOM 993 C ARG A 65 68.984 -18.760 3.247 1.00 55.32 C ATOM 994 O ARG A 65 70.159 -18.628 2.871 1.00 33.21 O ATOM 995 CB ARG A 65 69.831 -19.612 5.474 1.00 10.13 C ATOM 996 CG ARG A 65 69.510 -19.995 6.923 1.00 12.01 C ATOM 997 CD ARG A 65 69.049 -21.437 7.071 1.00 0.21 C ATOM 998 NE ARG A 65 68.758 -21.778 8.465 1.00 35.32 N ATOM 999 CZ ARG A 65 68.703 -23.014 8.972 1.00 62.31 C ATOM 1000 NH1 ARG A 65 68.896 -24.078 8.196 1.00 53.35 N ATOM 1001 NH2 ARG A 65 68.443 -23.174 10.256 1.00 23.34 N ATOM 0 H ARG A 65 67.035 -20.846 4.480 1.00 62.41 H new ATOM 0 HA ARG A 65 67.882 -18.935 5.072 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.524 -20.350 5.071 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.353 -18.655 5.481 1.00 10.13 H new ATOM 0 HG2 ARG A 65 70.396 -19.838 7.539 1.00 12.01 H new ATOM 0 HG3 ARG A 65 68.735 -19.331 7.305 1.00 12.01 H new ATOM 0 HD2 ARG A 65 68.157 -21.597 6.465 1.00 0.21 H new ATOM 0 HD3 ARG A 65 69.820 -22.106 6.687 1.00 0.21 H new ATOM 0 HE ARG A 65 68.582 -21.004 9.106 1.00 35.32 H new ATOM 0 HH11 ARG A 65 69.089 -23.956 7.202 1.00 53.35 H new ATOM 0 HH12 ARG A 65 68.851 -25.015 8.596 1.00 53.35 H new ATOM 0 HH21 ARG A 65 68.287 -22.360 10.850 1.00 23.34 H new ATOM 0 HH22 ARG A 65 68.398 -24.112 10.654 1.00 23.34 H new ATOM 1015 N LEU A 66 67.958 -18.376 2.537 1.00 53.51 N ATOM 1016 CA LEU A 66 68.123 -17.703 1.282 1.00 71.15 C ATOM 1017 C LEU A 66 68.072 -16.208 1.460 1.00 32.04 C ATOM 1018 O LEU A 66 68.349 -15.466 0.526 1.00 73.22 O ATOM 1019 CB LEU A 66 67.053 -18.152 0.266 1.00 33.23 C ATOM 1020 CG LEU A 66 67.021 -19.643 -0.089 1.00 74.22 C ATOM 1021 CD1 LEU A 66 65.889 -19.942 -1.061 1.00 34.12 C ATOM 1022 CD2 LEU A 66 68.350 -20.094 -0.677 1.00 42.44 C ATOM 0 H LEU A 66 66.987 -18.521 2.813 1.00 53.51 H new ATOM 0 HA LEU A 66 69.104 -17.973 0.892 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.074 -17.875 0.658 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.200 -17.587 -0.654 1.00 33.23 H new ATOM 0 HG LEU A 66 66.847 -20.200 0.832 1.00 74.22 H new ATOM 0 HD11 LEU A 66 65.885 -21.006 -1.299 1.00 34.12 H new ATOM 0 HD12 LEU A 66 64.937 -19.669 -0.606 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.033 -19.366 -1.975 1.00 34.12 H new ATOM 0 HD21 LEU A 66 68.299 -21.155 -0.920 1.00 42.44 H new ATOM 0 HD22 LEU A 66 68.559 -19.524 -1.583 1.00 42.44 H new ATOM 0 HD23 LEU A 66 69.145 -19.926 0.049 1.00 42.44 H new ATOM 1034 N TYR A 67 67.735 -15.752 2.642 1.00 50.33 N ATOM 1035 CA TYR A 67 67.626 -14.338 2.854 1.00 63.44 C ATOM 1036 C TYR A 67 68.843 -13.808 3.585 1.00 41.21 C ATOM 1037 O TYR A 67 69.725 -14.586 3.987 1.00 0.14 O ATOM 1038 CB TYR A 67 66.296 -13.946 3.536 1.00 32.51 C ATOM 1039 CG TYR A 67 66.099 -14.426 4.957 1.00 55.05 C ATOM 1040 CD1 TYR A 67 65.533 -15.663 5.229 1.00 64.31 C ATOM 1041 CD2 TYR A 67 66.461 -13.624 6.027 1.00 24.21 C ATOM 1042 CE1 TYR A 67 65.342 -16.086 6.528 1.00 44.51 C ATOM 1043 CE2 TYR A 67 66.269 -14.041 7.327 1.00 3.00 C ATOM 1044 CZ TYR A 67 65.711 -15.275 7.569 1.00 62.24 C ATOM 1045 OH TYR A 67 65.514 -15.701 8.862 1.00 52.04 O ATOM 0 H TYR A 67 67.535 -16.332 3.457 1.00 50.33 H new ATOM 0 HA TYR A 67 67.603 -13.856 1.877 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.216 -12.859 3.529 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.476 -14.330 2.929 1.00 32.51 H new ATOM 0 HD1 TYR A 67 65.238 -16.304 4.412 1.00 64.31 H new ATOM 0 HD2 TYR A 67 66.901 -12.656 5.840 1.00 24.21 H new ATOM 0 HE1 TYR A 67 64.903 -17.053 6.724 1.00 44.51 H new ATOM 0 HE2 TYR A 67 66.555 -13.403 8.150 1.00 3.00 H new ATOM 0 HH TYR A 67 65.829 -15.013 9.485 1.00 52.04 H new ATOM 1055 N ASP A 68 68.905 -12.517 3.746 1.00 63.44 N ATOM 1056 CA ASP A 68 70.036 -11.894 4.377 1.00 21.32 C ATOM 1057 C ASP A 68 69.915 -11.949 5.870 1.00 52.35 C ATOM 1058 O ASP A 68 68.851 -11.741 6.431 1.00 13.34 O ATOM 1059 CB ASP A 68 70.199 -10.451 3.929 1.00 1.00 C ATOM 1060 CG ASP A 68 71.434 -9.799 4.511 1.00 51.10 C ATOM 1061 OD1 ASP A 68 72.448 -10.484 4.742 1.00 24.12 O ATOM 1062 OD2 ASP A 68 71.400 -8.603 4.789 1.00 62.33 O ATOM 0 H ASP A 68 68.177 -11.868 3.446 1.00 63.44 H new ATOM 0 HA ASP A 68 70.921 -12.452 4.072 1.00 21.32 H new ATOM 0 HB2 ASP A 68 70.252 -10.416 2.841 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.318 -9.881 4.224 1.00 1.00 H new ATOM 1067 N GLU A 69 71.010 -12.210 6.506 1.00 63.22 N ATOM 1068 CA GLU A 69 71.046 -12.290 7.928 1.00 62.14 C ATOM 1069 C GLU A 69 71.071 -10.898 8.542 1.00 64.00 C ATOM 1070 O GLU A 69 70.763 -10.727 9.720 1.00 30.11 O ATOM 1071 CB GLU A 69 72.255 -13.081 8.394 1.00 42.41 C ATOM 1072 CG GLU A 69 73.557 -12.560 7.836 1.00 61.33 C ATOM 1073 CD GLU A 69 74.747 -13.153 8.497 1.00 74.11 C ATOM 1074 OE1 GLU A 69 75.198 -12.598 9.520 1.00 52.31 O ATOM 1075 OE2 GLU A 69 75.294 -14.142 8.002 1.00 24.54 O ATOM 0 H GLU A 69 71.908 -12.374 6.051 1.00 63.22 H new ATOM 0 HA GLU A 69 70.144 -12.805 8.257 1.00 62.14 H new ATOM 0 HB2 GLU A 69 72.299 -13.058 9.483 1.00 42.41 H new ATOM 0 HB3 GLU A 69 72.133 -14.124 8.102 1.00 42.41 H new ATOM 0 HG2 GLU A 69 73.599 -12.770 6.767 1.00 61.33 H new ATOM 0 HG3 GLU A 69 73.587 -11.476 7.949 1.00 61.33 H new ATOM 1082 N LYS A 70 71.448 -9.899 7.765 1.00 21.31 N ATOM 1083 CA LYS A 70 71.543 -8.559 8.312 1.00 43.13 C ATOM 1084 C LYS A 70 70.256 -7.815 8.043 1.00 3.23 C ATOM 1085 O LYS A 70 69.812 -6.993 8.847 1.00 14.52 O ATOM 1086 CB LYS A 70 72.640 -7.792 7.601 1.00 51.11 C ATOM 1087 CG LYS A 70 73.898 -8.569 7.286 1.00 5.05 C ATOM 1088 CD LYS A 70 74.667 -9.017 8.516 1.00 31.00 C ATOM 1089 CE LYS A 70 75.950 -9.714 8.103 1.00 65.43 C ATOM 1090 NZ LYS A 70 76.647 -10.353 9.236 1.00 33.03 N ATOM 0 H LYS A 70 71.688 -9.985 6.777 1.00 21.31 H new ATOM 0 HA LYS A 70 71.745 -8.637 9.380 1.00 43.13 H new ATOM 0 HB2 LYS A 70 72.235 -7.401 6.667 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.912 -6.933 8.215 1.00 51.11 H new ATOM 0 HG2 LYS A 70 73.634 -9.446 6.695 1.00 5.05 H new ATOM 0 HG3 LYS A 70 74.549 -7.952 6.667 1.00 5.05 H new ATOM 0 HD2 LYS A 70 74.897 -8.156 9.144 1.00 31.00 H new ATOM 0 HD3 LYS A 70 74.053 -9.692 9.113 1.00 31.00 H new ATOM 0 HE2 LYS A 70 75.721 -10.469 7.351 1.00 65.43 H new ATOM 0 HE3 LYS A 70 76.617 -8.990 7.635 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 77.506 -10.827 8.892 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 76.907 -9.629 9.936 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 76.019 -11.053 9.679 1.00 33.03 H new ATOM 1104 N GLN A 71 69.644 -8.135 6.937 1.00 50.03 N ATOM 1105 CA GLN A 71 68.410 -7.488 6.518 1.00 5.34 C ATOM 1106 C GLN A 71 67.339 -8.523 6.278 1.00 62.15 C ATOM 1107 O GLN A 71 67.449 -9.328 5.363 1.00 64.52 O ATOM 1108 CB GLN A 71 68.645 -6.761 5.214 1.00 3.32 C ATOM 1109 CG GLN A 71 69.833 -5.838 5.206 1.00 21.51 C ATOM 1110 CD GLN A 71 70.214 -5.488 3.808 1.00 43.20 C ATOM 1111 OE1 GLN A 71 69.779 -4.488 3.254 1.00 23.33 O ATOM 1112 NE2 GLN A 71 70.967 -6.345 3.202 1.00 3.50 N ATOM 0 H GLN A 71 69.979 -8.851 6.293 1.00 50.03 H new ATOM 0 HA GLN A 71 68.097 -6.796 7.300 1.00 5.34 H new ATOM 0 HB2 GLN A 71 68.772 -7.499 4.422 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.753 -6.183 4.972 1.00 3.32 H new ATOM 0 HG2 GLN A 71 69.600 -4.931 5.763 1.00 21.51 H new ATOM 0 HG3 GLN A 71 70.674 -6.314 5.710 1.00 21.51 H new ATOM 0 HE21 GLN A 71 71.309 -7.166 3.701 1.00 3.50 H new ATOM 0 HE22 GLN A 71 71.220 -6.200 2.224 1.00 3.50 H new ATOM 1121 N GLN A 72 66.283 -8.451 7.039 1.00 33.03 N ATOM 1122 CA GLN A 72 65.191 -9.407 6.926 1.00 64.41 C ATOM 1123 C GLN A 72 64.404 -9.150 5.640 1.00 73.12 C ATOM 1124 O GLN A 72 63.868 -10.062 5.028 1.00 1.14 O ATOM 1125 CB GLN A 72 64.276 -9.294 8.153 1.00 2.34 C ATOM 1126 CG GLN A 72 65.006 -9.508 9.474 1.00 64.34 C ATOM 1127 CD GLN A 72 65.537 -10.916 9.642 1.00 20.23 C ATOM 1128 OE1 GLN A 72 66.650 -11.230 9.219 1.00 21.44 O ATOM 1129 NE2 GLN A 72 64.802 -11.747 10.317 1.00 52.04 N ATOM 0 H GLN A 72 66.145 -7.737 7.754 1.00 33.03 H new ATOM 0 HA GLN A 72 65.597 -10.418 6.885 1.00 64.41 H new ATOM 0 HB2 GLN A 72 63.809 -8.309 8.160 1.00 2.34 H new ATOM 0 HB3 GLN A 72 63.473 -10.026 8.067 1.00 2.34 H new ATOM 0 HG2 GLN A 72 65.835 -8.804 9.541 1.00 64.34 H new ATOM 0 HG3 GLN A 72 64.328 -9.282 10.297 1.00 64.34 H new ATOM 0 HE21 GLN A 72 63.884 -11.458 10.654 1.00 52.04 H new ATOM 0 HE22 GLN A 72 65.143 -12.689 10.510 1.00 52.04 H new ATOM 1138 N HIS A 73 64.343 -7.883 5.240 1.00 20.12 N ATOM 1139 CA HIS A 73 63.635 -7.489 4.022 1.00 23.35 C ATOM 1140 C HIS A 73 64.366 -7.873 2.730 1.00 72.14 C ATOM 1141 O HIS A 73 63.844 -7.627 1.630 1.00 10.11 O ATOM 1142 CB HIS A 73 63.302 -5.968 3.999 1.00 41.31 C ATOM 1143 CG HIS A 73 64.505 -5.037 3.931 1.00 54.10 C ATOM 1144 ND1 HIS A 73 64.696 -4.102 2.925 1.00 32.14 N ATOM 1145 CD2 HIS A 73 65.572 -4.909 4.751 1.00 65.33 C ATOM 1146 CE1 HIS A 73 65.823 -3.459 3.133 1.00 3.33 C ATOM 1147 NE2 HIS A 73 66.373 -3.929 4.233 1.00 73.14 N ATOM 0 H HIS A 73 64.776 -7.108 5.742 1.00 20.12 H new ATOM 0 HA HIS A 73 62.706 -8.058 4.053 1.00 23.35 H new ATOM 0 HB2 HIS A 73 62.659 -5.767 3.142 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.727 -5.726 4.892 1.00 41.31 H new ATOM 0 HD2 HIS A 73 65.758 -5.477 5.651 1.00 65.33 H new ATOM 0 HE1 HIS A 73 66.229 -2.678 2.508 1.00 3.33 H new ATOM 0 HE2 HIS A 73 67.256 -3.613 4.635 1.00 73.14 H new ATOM 1155 N ILE A 74 65.539 -8.438 2.842 1.00 50.14 N ATOM 1156 CA ILE A 74 66.326 -8.783 1.682 1.00 22.31 C ATOM 1157 C ILE A 74 66.455 -10.278 1.557 1.00 55.40 C ATOM 1158 O ILE A 74 66.936 -10.949 2.467 1.00 73.00 O ATOM 1159 CB ILE A 74 67.742 -8.144 1.745 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.653 -6.613 1.712 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.654 -8.661 0.626 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.994 -6.057 0.473 1.00 73.44 C ATOM 0 H ILE A 74 65.976 -8.672 3.733 1.00 50.14 H new ATOM 0 HA ILE A 74 65.808 -8.389 0.808 1.00 22.31 H new ATOM 0 HB ILE A 74 68.190 -8.443 2.693 1.00 31.00 H new ATOM 0 HG12 ILE A 74 67.099 -6.274 2.587 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.659 -6.200 1.791 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.633 -8.189 0.707 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.764 -9.742 0.716 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.214 -8.420 -0.342 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.972 -4.969 0.530 1.00 73.44 H new ATOM 0 HD12 ILE A 74 67.559 -6.363 -0.408 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.975 -6.437 0.401 1.00 73.44 H new ATOM 1174 N VAL A 75 66.023 -10.799 0.446 1.00 45.43 N ATOM 1175 CA VAL A 75 66.157 -12.189 0.184 1.00 24.42 C ATOM 1176 C VAL A 75 67.056 -12.359 -1.013 1.00 52.54 C ATOM 1177 O VAL A 75 66.771 -11.840 -2.074 1.00 42.31 O ATOM 1178 CB VAL A 75 64.808 -12.885 -0.092 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.017 -14.378 -0.261 1.00 1.24 C ATOM 1180 CG2 VAL A 75 63.803 -12.600 1.016 1.00 11.12 C ATOM 0 H VAL A 75 65.570 -10.268 -0.298 1.00 45.43 H new ATOM 0 HA VAL A 75 66.577 -12.657 1.075 1.00 24.42 H new ATOM 0 HB VAL A 75 64.398 -12.482 -1.018 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.059 -14.860 -0.455 1.00 1.24 H new ATOM 0 HG12 VAL A 75 65.691 -14.559 -1.099 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.452 -14.790 0.650 1.00 1.24 H new ATOM 0 HG21 VAL A 75 62.863 -13.104 0.793 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.194 -12.966 1.965 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.632 -11.526 1.084 1.00 11.12 H new ATOM 1190 N TYR A 76 68.139 -13.052 -0.842 1.00 5.33 N ATOM 1191 CA TYR A 76 69.060 -13.262 -1.920 1.00 2.23 C ATOM 1192 C TYR A 76 68.557 -14.350 -2.831 1.00 20.23 C ATOM 1193 O TYR A 76 68.263 -14.097 -3.996 1.00 22.13 O ATOM 1194 CB TYR A 76 70.444 -13.620 -1.407 1.00 71.42 C ATOM 1195 CG TYR A 76 71.122 -12.542 -0.604 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.384 -11.299 -1.159 1.00 72.11 C ATOM 1197 CD2 TYR A 76 71.524 -12.775 0.694 1.00 34.51 C ATOM 1198 CE1 TYR A 76 72.025 -10.318 -0.440 1.00 3.12 C ATOM 1199 CE2 TYR A 76 72.177 -11.806 1.415 1.00 53.13 C ATOM 1200 CZ TYR A 76 72.425 -10.580 0.850 1.00 44.23 C ATOM 1201 OH TYR A 76 73.106 -9.622 1.574 1.00 11.02 O ATOM 0 H TYR A 76 68.410 -13.486 0.041 1.00 5.33 H new ATOM 0 HA TYR A 76 69.135 -12.328 -2.477 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.367 -14.516 -0.792 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.077 -13.871 -2.258 1.00 71.42 H new ATOM 0 HD1 TYR A 76 71.079 -11.097 -2.175 1.00 72.11 H new ATOM 0 HD2 TYR A 76 71.322 -13.733 1.150 1.00 34.51 H new ATOM 0 HE1 TYR A 76 72.213 -9.351 -0.883 1.00 3.12 H new ATOM 0 HE2 TYR A 76 72.496 -12.009 2.427 1.00 53.13 H new ATOM 0 HH TYR A 76 73.312 -9.971 2.466 1.00 11.02 H new ATOM 1211 N CYS A 77 68.429 -15.565 -2.269 1.00 54.53 N ATOM 1212 CA CYS A 77 67.986 -16.782 -2.984 1.00 52.14 C ATOM 1213 C CYS A 77 68.736 -16.994 -4.298 1.00 4.33 C ATOM 1214 O CYS A 77 68.222 -17.591 -5.243 1.00 62.20 O ATOM 1215 CB CYS A 77 66.446 -16.835 -3.145 1.00 61.41 C ATOM 1216 SG CYS A 77 65.667 -15.384 -3.870 1.00 54.33 S ATOM 0 H CYS A 77 68.634 -15.735 -1.284 1.00 54.53 H new ATOM 0 HA CYS A 77 68.252 -17.632 -2.355 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.196 -17.700 -3.760 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.005 -17.004 -2.163 1.00 61.41 H new ATOM 0 HG CYS A 77 66.584 -14.548 -4.258 1.00 54.33 H new ATOM 1222 N SER A 78 69.993 -16.597 -4.282 1.00 74.53 N ATOM 1223 CA SER A 78 70.870 -16.636 -5.427 1.00 1.24 C ATOM 1224 C SER A 78 71.410 -18.046 -5.587 1.00 20.30 C ATOM 1225 O SER A 78 71.737 -18.491 -6.688 1.00 21.43 O ATOM 1226 CB SER A 78 72.035 -15.694 -5.159 1.00 41.00 C ATOM 1227 OG SER A 78 71.583 -14.502 -4.521 1.00 62.31 O ATOM 0 H SER A 78 70.442 -16.228 -3.444 1.00 74.53 H new ATOM 0 HA SER A 78 70.334 -16.341 -6.329 1.00 1.24 H new ATOM 0 HB2 SER A 78 72.774 -16.191 -4.530 1.00 41.00 H new ATOM 0 HB3 SER A 78 72.531 -15.445 -6.097 1.00 41.00 H new ATOM 0 HG SER A 78 70.896 -14.075 -5.074 1.00 62.31 H new ATOM 1233 N ASN A 79 71.490 -18.740 -4.463 1.00 41.54 N ATOM 1234 CA ASN A 79 71.991 -20.100 -4.416 1.00 73.42 C ATOM 1235 C ASN A 79 70.962 -21.040 -5.008 1.00 0.00 C ATOM 1236 O ASN A 79 71.297 -22.099 -5.539 1.00 53.23 O ATOM 1237 CB ASN A 79 72.297 -20.504 -2.963 1.00 72.51 C ATOM 1238 CG ASN A 79 72.917 -21.892 -2.835 1.00 60.42 C ATOM 1239 OD1 ASN A 79 72.215 -22.903 -2.706 1.00 34.51 O ATOM 1240 ND2 ASN A 79 74.220 -21.950 -2.859 1.00 12.14 N ATOM 0 H ASN A 79 71.207 -18.372 -3.555 1.00 41.54 H new ATOM 0 HA ASN A 79 72.912 -20.161 -4.996 1.00 73.42 H new ATOM 0 HB2 ASN A 79 72.974 -19.771 -2.525 1.00 72.51 H new ATOM 0 HB3 ASN A 79 71.374 -20.472 -2.383 1.00 72.51 H new ATOM 0 HD21 ASN A 79 74.692 -22.850 -2.770 1.00 12.14 H new ATOM 0 HD22 ASN A 79 74.767 -21.096 -2.967 1.00 12.14 H new ATOM 1247 N ASP A 80 69.718 -20.622 -4.968 1.00 63.10 N ATOM 1248 CA ASP A 80 68.639 -21.433 -5.448 1.00 44.31 C ATOM 1249 C ASP A 80 68.178 -20.862 -6.786 1.00 54.24 C ATOM 1250 O ASP A 80 68.788 -19.931 -7.308 1.00 62.42 O ATOM 1251 CB ASP A 80 67.485 -21.455 -4.428 1.00 54.35 C ATOM 1252 CG ASP A 80 66.531 -22.628 -4.653 1.00 4.01 C ATOM 1253 OD1 ASP A 80 65.608 -22.531 -5.493 1.00 31.11 O ATOM 1254 OD2 ASP A 80 66.719 -23.678 -4.036 1.00 51.55 O ATOM 0 H ASP A 80 69.433 -19.713 -4.602 1.00 63.10 H new ATOM 0 HA ASP A 80 68.970 -22.463 -5.582 1.00 44.31 H new ATOM 0 HB2 ASP A 80 67.896 -21.512 -3.420 1.00 54.35 H new ATOM 0 HB3 ASP A 80 66.929 -20.520 -4.493 1.00 54.35 H new ATOM 1259 N LEU A 81 67.135 -21.397 -7.323 1.00 71.31 N ATOM 1260 CA LEU A 81 66.640 -20.998 -8.603 1.00 11.32 C ATOM 1261 C LEU A 81 65.569 -19.902 -8.405 1.00 12.11 C ATOM 1262 O LEU A 81 65.318 -19.116 -9.293 1.00 75.03 O ATOM 1263 CB LEU A 81 66.092 -22.265 -9.326 1.00 25.11 C ATOM 1264 CG LEU A 81 65.915 -22.245 -10.869 1.00 40.03 C ATOM 1265 CD1 LEU A 81 64.765 -21.377 -11.312 1.00 43.44 C ATOM 1266 CD2 LEU A 81 67.199 -21.792 -11.541 1.00 21.25 C ATOM 0 H LEU A 81 66.591 -22.137 -6.880 1.00 71.31 H new ATOM 0 HA LEU A 81 67.422 -20.569 -9.230 1.00 11.32 H new ATOM 0 HB2 LEU A 81 66.757 -23.094 -9.084 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.121 -22.497 -8.888 1.00 25.11 H new ATOM 0 HG LEU A 81 65.682 -23.265 -11.173 1.00 40.03 H new ATOM 0 HD11 LEU A 81 64.689 -21.401 -12.399 1.00 43.44 H new ATOM 0 HD12 LEU A 81 63.839 -21.750 -10.875 1.00 43.44 H new ATOM 0 HD13 LEU A 81 64.935 -20.352 -10.983 1.00 43.44 H new ATOM 0 HD21 LEU A 81 67.060 -21.783 -12.622 1.00 21.25 H new ATOM 0 HD22 LEU A 81 67.454 -20.789 -11.199 1.00 21.25 H new ATOM 0 HD23 LEU A 81 68.006 -22.479 -11.285 1.00 21.25 H new ATOM 1278 N LEU A 82 65.007 -19.850 -7.187 1.00 22.23 N ATOM 1279 CA LEU A 82 63.923 -18.923 -6.797 1.00 31.14 C ATOM 1280 C LEU A 82 64.120 -17.470 -7.295 1.00 51.53 C ATOM 1281 O LEU A 82 63.330 -16.972 -8.121 1.00 75.13 O ATOM 1282 CB LEU A 82 63.760 -18.951 -5.263 1.00 51.31 C ATOM 1283 CG LEU A 82 62.831 -17.893 -4.658 1.00 44.45 C ATOM 1284 CD1 LEU A 82 61.404 -18.036 -5.176 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.880 -17.919 -3.132 1.00 64.25 C ATOM 0 H LEU A 82 65.297 -20.464 -6.426 1.00 22.23 H new ATOM 0 HA LEU A 82 63.016 -19.275 -7.288 1.00 31.14 H new ATOM 0 HB2 LEU A 82 63.389 -19.935 -4.977 1.00 51.31 H new ATOM 0 HB3 LEU A 82 64.746 -18.838 -4.812 1.00 51.31 H new ATOM 0 HG LEU A 82 63.193 -16.917 -4.981 1.00 44.45 H new ATOM 0 HD11 LEU A 82 60.775 -17.269 -4.725 1.00 51.52 H new ATOM 0 HD12 LEU A 82 61.397 -17.920 -6.260 1.00 51.52 H new ATOM 0 HD13 LEU A 82 61.019 -19.021 -4.914 1.00 51.52 H new ATOM 0 HD21 LEU A 82 62.210 -17.157 -2.733 1.00 64.25 H new ATOM 0 HD22 LEU A 82 62.567 -18.900 -2.775 1.00 64.25 H new ATOM 0 HD23 LEU A 82 63.898 -17.719 -2.797 1.00 64.25 H new ATOM 1297 N GLY A 83 65.161 -16.813 -6.811 1.00 33.33 N ATOM 1298 CA GLY A 83 65.401 -15.430 -7.177 1.00 13.41 C ATOM 1299 C GLY A 83 65.720 -15.295 -8.625 1.00 23.02 C ATOM 1300 O GLY A 83 65.184 -14.403 -9.321 1.00 63.21 O ATOM 0 H GLY A 83 65.847 -17.212 -6.170 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.521 -14.832 -6.940 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.225 -15.033 -6.584 1.00 13.41 H new ATOM 1304 N ASP A 84 66.541 -16.219 -9.104 1.00 74.23 N ATOM 1305 CA ASP A 84 66.977 -16.242 -10.495 1.00 72.30 C ATOM 1306 C ASP A 84 65.773 -16.185 -11.401 1.00 60.45 C ATOM 1307 O ASP A 84 65.688 -15.305 -12.226 1.00 21.25 O ATOM 1308 CB ASP A 84 67.802 -17.506 -10.798 1.00 32.43 C ATOM 1309 CG ASP A 84 68.251 -17.590 -12.252 1.00 23.04 C ATOM 1310 OD1 ASP A 84 67.483 -18.091 -13.102 1.00 12.11 O ATOM 1311 OD2 ASP A 84 69.393 -17.165 -12.570 1.00 34.12 O ATOM 0 H ASP A 84 66.925 -16.976 -8.538 1.00 74.23 H new ATOM 0 HA ASP A 84 67.612 -15.374 -10.672 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.679 -17.524 -10.151 1.00 32.43 H new ATOM 0 HB3 ASP A 84 67.208 -18.387 -10.555 1.00 32.43 H new ATOM 1316 N LEU A 85 64.803 -17.059 -11.100 1.00 51.32 N ATOM 1317 CA LEU A 85 63.560 -17.280 -11.806 1.00 55.15 C ATOM 1318 C LEU A 85 62.745 -16.018 -11.971 1.00 45.10 C ATOM 1319 O LEU A 85 62.181 -15.775 -13.040 1.00 62.02 O ATOM 1320 CB LEU A 85 62.792 -18.278 -10.991 1.00 35.13 C ATOM 1321 CG LEU A 85 61.561 -18.872 -11.591 1.00 61.13 C ATOM 1322 CD1 LEU A 85 61.855 -19.485 -12.954 1.00 14.13 C ATOM 1323 CD2 LEU A 85 60.995 -19.906 -10.640 1.00 34.22 C ATOM 0 H LEU A 85 64.886 -17.673 -10.289 1.00 51.32 H new ATOM 0 HA LEU A 85 63.770 -17.633 -12.816 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.468 -19.095 -10.739 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.509 -17.798 -10.054 1.00 35.13 H new ATOM 0 HG LEU A 85 60.823 -18.085 -11.746 1.00 61.13 H new ATOM 0 HD11 LEU A 85 60.940 -19.910 -13.367 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.232 -18.714 -13.626 1.00 14.13 H new ATOM 0 HD13 LEU A 85 62.603 -20.270 -12.846 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.095 -20.344 -11.072 1.00 34.22 H new ATOM 0 HD22 LEU A 85 61.735 -20.689 -10.471 1.00 34.22 H new ATOM 0 HD23 LEU A 85 60.747 -19.430 -9.691 1.00 34.22 H new ATOM 1335 N PHE A 86 62.672 -15.216 -10.912 1.00 13.22 N ATOM 1336 CA PHE A 86 61.968 -13.923 -10.968 1.00 14.21 C ATOM 1337 C PHE A 86 62.694 -13.010 -11.933 1.00 25.43 C ATOM 1338 O PHE A 86 62.140 -12.074 -12.507 1.00 74.23 O ATOM 1339 CB PHE A 86 61.981 -13.294 -9.606 1.00 60.11 C ATOM 1340 CG PHE A 86 61.130 -12.049 -9.494 1.00 12.33 C ATOM 1341 CD1 PHE A 86 59.797 -12.069 -9.858 1.00 60.04 C ATOM 1342 CD2 PHE A 86 61.669 -10.866 -9.025 1.00 61.20 C ATOM 1343 CE1 PHE A 86 59.021 -10.936 -9.756 1.00 63.23 C ATOM 1344 CE2 PHE A 86 60.897 -9.730 -8.922 1.00 21.42 C ATOM 1345 CZ PHE A 86 59.571 -9.769 -9.290 1.00 2.54 C ATOM 0 H PHE A 86 63.087 -15.431 -10.005 1.00 13.22 H new ATOM 0 HA PHE A 86 60.940 -14.077 -11.296 1.00 14.21 H new ATOM 0 HB2 PHE A 86 61.634 -14.025 -8.876 1.00 60.11 H new ATOM 0 HB3 PHE A 86 63.009 -13.044 -9.343 1.00 60.11 H new ATOM 0 HD1 PHE A 86 59.359 -12.984 -10.227 1.00 60.04 H new ATOM 0 HD2 PHE A 86 62.709 -10.832 -8.736 1.00 61.20 H new ATOM 0 HE1 PHE A 86 57.980 -10.966 -10.043 1.00 63.23 H new ATOM 0 HE2 PHE A 86 61.330 -8.812 -8.554 1.00 21.42 H new ATOM 0 HZ PHE A 86 58.963 -8.880 -9.212 1.00 2.54 H new ATOM 1355 N GLY A 87 63.908 -13.330 -12.101 1.00 24.41 N ATOM 1356 CA GLY A 87 64.785 -12.623 -12.989 1.00 31.24 C ATOM 1357 C GLY A 87 65.639 -11.693 -12.226 1.00 3.13 C ATOM 1358 O GLY A 87 65.964 -10.591 -12.687 1.00 20.13 O ATOM 0 H GLY A 87 64.353 -14.112 -11.620 1.00 24.41 H new ATOM 0 HA2 GLY A 87 65.406 -13.330 -13.539 1.00 31.24 H new ATOM 0 HA3 GLY A 87 64.201 -12.071 -13.726 1.00 31.24 H new ATOM 1362 N VAL A 88 66.018 -12.120 -11.044 1.00 0.24 N ATOM 1363 CA VAL A 88 66.794 -11.259 -10.153 1.00 65.43 C ATOM 1364 C VAL A 88 67.906 -12.014 -9.427 1.00 62.04 C ATOM 1365 O VAL A 88 67.881 -13.234 -9.353 1.00 2.43 O ATOM 1366 CB VAL A 88 65.909 -10.519 -9.100 1.00 34.42 C ATOM 1367 CG1 VAL A 88 64.934 -9.546 -9.742 1.00 53.13 C ATOM 1368 CG2 VAL A 88 65.186 -11.488 -8.179 1.00 52.45 C ATOM 0 H VAL A 88 65.809 -13.046 -10.671 1.00 0.24 H new ATOM 0 HA VAL A 88 67.244 -10.516 -10.811 1.00 65.43 H new ATOM 0 HB VAL A 88 66.595 -9.932 -8.489 1.00 34.42 H new ATOM 0 HG11 VAL A 88 64.343 -9.058 -8.967 1.00 53.13 H new ATOM 0 HG12 VAL A 88 65.488 -8.794 -10.304 1.00 53.13 H new ATOM 0 HG13 VAL A 88 64.271 -10.087 -10.417 1.00 53.13 H new ATOM 0 HG21 VAL A 88 64.583 -10.929 -7.464 1.00 52.45 H new ATOM 0 HG22 VAL A 88 64.539 -12.137 -8.769 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.916 -12.094 -7.643 1.00 52.45 H new ATOM 1378 N PRO A 89 68.941 -11.306 -8.930 1.00 11.32 N ATOM 1379 CA PRO A 89 69.981 -11.921 -8.122 1.00 74.43 C ATOM 1380 C PRO A 89 69.577 -11.960 -6.644 1.00 61.01 C ATOM 1381 O PRO A 89 70.108 -12.743 -5.861 1.00 1.24 O ATOM 1382 CB PRO A 89 71.195 -10.987 -8.312 1.00 25.13 C ATOM 1383 CG PRO A 89 70.734 -9.875 -9.208 1.00 40.51 C ATOM 1384 CD PRO A 89 69.234 -9.887 -9.172 1.00 22.11 C ATOM 0 HA PRO A 89 70.179 -12.952 -8.415 1.00 74.43 H new ATOM 0 HB2 PRO A 89 71.539 -10.597 -7.354 1.00 25.13 H new ATOM 0 HB3 PRO A 89 72.033 -11.524 -8.758 1.00 25.13 H new ATOM 0 HG2 PRO A 89 71.122 -8.916 -8.865 1.00 40.51 H new ATOM 0 HG3 PRO A 89 71.098 -10.021 -10.225 1.00 40.51 H new ATOM 0 HD2 PRO A 89 68.841 -9.249 -8.380 1.00 22.11 H new ATOM 0 HD3 PRO A 89 68.801 -9.536 -10.109 1.00 22.11 H new ATOM 1392 N SER A 90 68.648 -11.086 -6.279 1.00 72.45 N ATOM 1393 CA SER A 90 68.122 -10.939 -4.934 1.00 0.12 C ATOM 1394 C SER A 90 66.799 -10.176 -5.052 1.00 72.25 C ATOM 1395 O SER A 90 66.617 -9.426 -6.031 1.00 42.34 O ATOM 1396 CB SER A 90 69.109 -10.128 -4.067 1.00 14.22 C ATOM 1397 OG SER A 90 70.404 -10.728 -4.065 1.00 32.43 O ATOM 0 H SER A 90 68.225 -10.435 -6.941 1.00 72.45 H new ATOM 0 HA SER A 90 67.976 -11.913 -4.467 1.00 0.12 H new ATOM 0 HB2 SER A 90 69.178 -9.108 -4.446 1.00 14.22 H new ATOM 0 HB3 SER A 90 68.733 -10.064 -3.046 1.00 14.22 H new ATOM 0 HG SER A 90 71.086 -10.033 -3.954 1.00 32.43 H new ATOM 1403 N PHE A 91 65.896 -10.354 -4.111 1.00 22.52 N ATOM 1404 CA PHE A 91 64.626 -9.667 -4.151 1.00 23.10 C ATOM 1405 C PHE A 91 64.312 -9.089 -2.771 1.00 42.12 C ATOM 1406 O PHE A 91 64.899 -9.503 -1.763 1.00 74.32 O ATOM 1407 CB PHE A 91 63.472 -10.597 -4.652 1.00 64.21 C ATOM 1408 CG PHE A 91 62.839 -11.557 -3.636 1.00 51.33 C ATOM 1409 CD1 PHE A 91 61.777 -11.126 -2.858 1.00 4.31 C ATOM 1410 CD2 PHE A 91 63.255 -12.885 -3.493 1.00 11.25 C ATOM 1411 CE1 PHE A 91 61.151 -11.963 -1.976 1.00 61.22 C ATOM 1412 CE2 PHE A 91 62.622 -13.724 -2.598 1.00 2.33 C ATOM 1413 CZ PHE A 91 61.570 -13.264 -1.844 1.00 72.40 C ATOM 0 H PHE A 91 66.020 -10.970 -3.308 1.00 22.52 H new ATOM 0 HA PHE A 91 64.701 -8.851 -4.870 1.00 23.10 H new ATOM 0 HB2 PHE A 91 62.681 -9.964 -5.053 1.00 64.21 H new ATOM 0 HB3 PHE A 91 63.856 -11.191 -5.481 1.00 64.21 H new ATOM 0 HD1 PHE A 91 61.436 -10.106 -2.950 1.00 4.31 H new ATOM 0 HD2 PHE A 91 64.077 -13.256 -4.087 1.00 11.25 H new ATOM 0 HE1 PHE A 91 60.325 -11.600 -1.382 1.00 61.22 H new ATOM 0 HE2 PHE A 91 62.955 -14.746 -2.490 1.00 2.33 H new ATOM 0 HZ PHE A 91 61.073 -13.924 -1.149 1.00 72.40 H new ATOM 1423 N SER A 92 63.432 -8.134 -2.720 1.00 13.21 N ATOM 1424 CA SER A 92 63.049 -7.564 -1.481 1.00 63.42 C ATOM 1425 C SER A 92 61.568 -7.770 -1.247 1.00 12.35 C ATOM 1426 O SER A 92 60.745 -7.532 -2.128 1.00 65.40 O ATOM 1427 CB SER A 92 63.421 -6.081 -1.409 1.00 64.34 C ATOM 1428 OG SER A 92 63.250 -5.584 -0.083 1.00 72.34 O ATOM 0 H SER A 92 62.967 -7.736 -3.536 1.00 13.21 H new ATOM 0 HA SER A 92 63.597 -8.071 -0.687 1.00 63.42 H new ATOM 0 HB2 SER A 92 64.456 -5.944 -1.724 1.00 64.34 H new ATOM 0 HB3 SER A 92 62.800 -5.511 -2.100 1.00 64.34 H new ATOM 0 HG SER A 92 63.545 -6.261 0.561 1.00 72.34 H new ATOM 1434 N VAL A 93 61.251 -8.195 -0.046 1.00 15.21 N ATOM 1435 CA VAL A 93 59.886 -8.494 0.382 1.00 44.32 C ATOM 1436 C VAL A 93 58.990 -7.252 0.418 1.00 70.53 C ATOM 1437 O VAL A 93 57.769 -7.355 0.445 1.00 62.34 O ATOM 1438 CB VAL A 93 59.895 -9.127 1.786 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.658 -10.431 1.776 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.507 -8.171 2.791 1.00 71.25 C ATOM 0 H VAL A 93 61.945 -8.349 0.685 1.00 15.21 H new ATOM 0 HA VAL A 93 59.479 -9.187 -0.354 1.00 44.32 H new ATOM 0 HB VAL A 93 58.865 -9.331 2.077 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.653 -10.863 2.777 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.186 -11.124 1.079 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.686 -10.248 1.465 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.507 -8.632 3.779 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.532 -7.942 2.498 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.923 -7.251 2.820 1.00 71.25 H new ATOM 1450 N LYS A 94 59.613 -6.088 0.426 1.00 25.30 N ATOM 1451 CA LYS A 94 58.910 -4.830 0.525 1.00 34.12 C ATOM 1452 C LYS A 94 58.153 -4.489 -0.739 1.00 43.13 C ATOM 1453 O LYS A 94 57.255 -3.633 -0.730 1.00 62.22 O ATOM 1454 CB LYS A 94 59.872 -3.742 0.942 1.00 44.32 C ATOM 1455 CG LYS A 94 60.484 -4.019 2.301 1.00 11.41 C ATOM 1456 CD LYS A 94 59.429 -3.976 3.396 1.00 61.24 C ATOM 1457 CE LYS A 94 59.977 -4.411 4.731 1.00 64.21 C ATOM 1458 NZ LYS A 94 59.015 -4.155 5.825 1.00 40.32 N ATOM 0 H LYS A 94 60.627 -5.992 0.363 1.00 25.30 H new ATOM 0 HA LYS A 94 58.145 -4.922 1.296 1.00 34.12 H new ATOM 0 HB2 LYS A 94 60.664 -3.653 0.198 1.00 44.32 H new ATOM 0 HB3 LYS A 94 59.350 -2.786 0.967 1.00 44.32 H new ATOM 0 HG2 LYS A 94 60.965 -4.997 2.294 1.00 11.41 H new ATOM 0 HG3 LYS A 94 61.260 -3.283 2.511 1.00 11.41 H new ATOM 0 HD2 LYS A 94 59.035 -2.963 3.479 1.00 61.24 H new ATOM 0 HD3 LYS A 94 58.595 -4.621 3.120 1.00 61.24 H new ATOM 0 HE2 LYS A 94 60.216 -5.474 4.698 1.00 64.21 H new ATOM 0 HE3 LYS A 94 60.908 -3.881 4.933 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 59.426 -4.467 6.728 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 58.806 -3.137 5.872 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 58.136 -4.681 5.645 1.00 40.32 H new ATOM 1472 N GLU A 95 58.481 -5.153 -1.809 1.00 41.22 N ATOM 1473 CA GLU A 95 57.731 -5.012 -3.004 1.00 25.25 C ATOM 1474 C GLU A 95 56.688 -6.103 -2.975 1.00 44.21 C ATOM 1475 O GLU A 95 56.908 -7.214 -3.432 1.00 11.24 O ATOM 1476 CB GLU A 95 58.579 -5.180 -4.217 1.00 62.12 C ATOM 1477 CG GLU A 95 59.760 -4.228 -4.344 1.00 1.24 C ATOM 1478 CD GLU A 95 59.345 -2.786 -4.479 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.757 -2.415 -5.511 1.00 30.24 O ATOM 1480 OE2 GLU A 95 59.644 -1.981 -3.587 1.00 35.23 O ATOM 0 H GLU A 95 59.268 -5.798 -1.870 1.00 41.22 H new ATOM 0 HA GLU A 95 57.296 -4.014 -3.055 1.00 25.25 H new ATOM 0 HB2 GLU A 95 58.958 -6.202 -4.232 1.00 62.12 H new ATOM 0 HB3 GLU A 95 57.947 -5.062 -5.097 1.00 62.12 H new ATOM 0 HG2 GLU A 95 60.401 -4.335 -3.469 1.00 1.24 H new ATOM 0 HG3 GLU A 95 60.356 -4.511 -5.212 1.00 1.24 H new ATOM 1487 N HIS A 96 55.589 -5.773 -2.420 1.00 61.03 N ATOM 1488 CA HIS A 96 54.516 -6.726 -2.125 1.00 22.11 C ATOM 1489 C HIS A 96 53.894 -7.269 -3.387 1.00 24.20 C ATOM 1490 O HIS A 96 53.602 -8.459 -3.483 1.00 4.12 O ATOM 1491 CB HIS A 96 53.426 -6.115 -1.218 1.00 0.11 C ATOM 1492 CG HIS A 96 53.908 -5.643 0.128 1.00 4.44 C ATOM 1493 ND1 HIS A 96 53.428 -4.506 0.741 1.00 0.33 N ATOM 1494 CD2 HIS A 96 54.811 -6.176 0.990 1.00 64.43 C ATOM 1495 CE1 HIS A 96 54.007 -4.352 1.909 1.00 53.21 C ATOM 1496 NE2 HIS A 96 54.856 -5.351 2.090 1.00 71.43 N ATOM 0 H HIS A 96 55.374 -4.817 -2.139 1.00 61.03 H new ATOM 0 HA HIS A 96 54.980 -7.550 -1.583 1.00 22.11 H new ATOM 0 HB2 HIS A 96 52.971 -5.273 -1.740 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.643 -6.858 -1.067 1.00 0.11 H new ATOM 0 HD2 HIS A 96 55.386 -7.078 0.840 1.00 64.43 H new ATOM 0 HE1 HIS A 96 53.822 -3.547 2.604 1.00 53.21 H new ATOM 0 HE2 HIS A 96 55.447 -5.487 2.910 1.00 71.43 H new ATOM 1504 N ARG A 97 53.723 -6.409 -4.373 1.00 61.45 N ATOM 1505 CA ARG A 97 53.137 -6.826 -5.632 1.00 2.00 C ATOM 1506 C ARG A 97 54.100 -7.700 -6.405 1.00 60.51 C ATOM 1507 O ARG A 97 53.685 -8.593 -7.115 1.00 63.44 O ATOM 1508 CB ARG A 97 52.675 -5.646 -6.473 1.00 25.22 C ATOM 1509 CG ARG A 97 51.576 -4.819 -5.824 1.00 31.52 C ATOM 1510 CD ARG A 97 51.050 -3.764 -6.776 1.00 61.22 C ATOM 1511 NE ARG A 97 50.429 -4.366 -7.968 1.00 52.14 N ATOM 1512 CZ ARG A 97 50.008 -3.695 -9.046 1.00 35.43 C ATOM 1513 NH1 ARG A 97 50.205 -2.382 -9.139 1.00 32.04 N ATOM 1514 NH2 ARG A 97 49.406 -4.347 -10.041 1.00 50.15 N ATOM 0 H ARG A 97 53.980 -5.423 -4.327 1.00 61.45 H new ATOM 0 HA ARG A 97 52.248 -7.412 -5.396 1.00 2.00 H new ATOM 0 HB2 ARG A 97 53.530 -5.001 -6.676 1.00 25.22 H new ATOM 0 HB3 ARG A 97 52.318 -6.015 -7.435 1.00 25.22 H new ATOM 0 HG2 ARG A 97 50.760 -5.472 -5.514 1.00 31.52 H new ATOM 0 HG3 ARG A 97 51.961 -4.341 -4.923 1.00 31.52 H new ATOM 0 HD2 ARG A 97 50.319 -3.141 -6.261 1.00 61.22 H new ATOM 0 HD3 ARG A 97 51.867 -3.110 -7.082 1.00 61.22 H new ATOM 0 HE ARG A 97 50.310 -5.379 -7.972 1.00 52.14 H new ATOM 0 HH11 ARG A 97 50.679 -1.883 -8.386 1.00 32.04 H new ATOM 0 HH12 ARG A 97 49.882 -1.875 -9.963 1.00 32.04 H new ATOM 0 HH21 ARG A 97 49.267 -5.356 -9.979 1.00 50.15 H new ATOM 0 HH22 ARG A 97 49.084 -3.837 -10.864 1.00 50.15 H new ATOM 1528 N LYS A 98 55.392 -7.470 -6.194 1.00 3.30 N ATOM 1529 CA LYS A 98 56.443 -8.273 -6.820 1.00 1.24 C ATOM 1530 C LYS A 98 56.424 -9.678 -6.290 1.00 33.20 C ATOM 1531 O LYS A 98 56.838 -10.597 -6.965 1.00 63.32 O ATOM 1532 CB LYS A 98 57.831 -7.649 -6.629 1.00 62.12 C ATOM 1533 CG LYS A 98 58.251 -6.632 -7.691 1.00 4.31 C ATOM 1534 CD LYS A 98 57.280 -5.483 -7.862 1.00 4.22 C ATOM 1535 CE LYS A 98 57.776 -4.554 -8.948 1.00 21.35 C ATOM 1536 NZ LYS A 98 56.830 -3.463 -9.250 1.00 63.10 N ATOM 0 H LYS A 98 55.741 -6.727 -5.589 1.00 3.30 H new ATOM 0 HA LYS A 98 56.237 -8.297 -7.890 1.00 1.24 H new ATOM 0 HB2 LYS A 98 57.860 -7.162 -5.654 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.570 -8.450 -6.607 1.00 62.12 H new ATOM 0 HG2 LYS A 98 59.230 -6.231 -7.428 1.00 4.31 H new ATOM 0 HG3 LYS A 98 58.363 -7.145 -8.646 1.00 4.31 H new ATOM 0 HD2 LYS A 98 56.292 -5.864 -8.120 1.00 4.22 H new ATOM 0 HD3 LYS A 98 57.177 -4.939 -6.923 1.00 4.22 H new ATOM 0 HE2 LYS A 98 58.731 -4.126 -8.644 1.00 21.35 H new ATOM 0 HE3 LYS A 98 57.960 -5.130 -9.855 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 57.224 -2.860 -10.000 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 55.926 -3.866 -9.568 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 56.673 -2.893 -8.394 1.00 63.10 H new ATOM 1550 N ILE A 99 55.924 -9.840 -5.084 1.00 54.20 N ATOM 1551 CA ILE A 99 55.797 -11.153 -4.498 1.00 3.41 C ATOM 1552 C ILE A 99 54.680 -11.881 -5.224 1.00 32.52 C ATOM 1553 O ILE A 99 54.829 -13.026 -5.646 1.00 34.24 O ATOM 1554 CB ILE A 99 55.452 -11.086 -2.984 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.374 -10.100 -2.237 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.512 -12.472 -2.351 1.00 53.21 C ATOM 1557 CD1 ILE A 99 57.854 -10.313 -2.452 1.00 13.25 C ATOM 0 H ILE A 99 55.599 -9.076 -4.491 1.00 54.20 H new ATOM 0 HA ILE A 99 56.751 -11.672 -4.597 1.00 3.41 H new ATOM 0 HB ILE A 99 54.431 -10.714 -2.895 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.121 -9.086 -2.546 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.165 -10.170 -1.170 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.267 -12.399 -1.291 1.00 53.21 H new ATOM 0 HG22 ILE A 99 54.796 -13.129 -2.845 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.516 -12.880 -2.464 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.415 -9.570 -1.885 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.131 -11.312 -2.114 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.086 -10.211 -3.512 1.00 13.25 H new ATOM 1569 N TYR A 100 53.582 -11.172 -5.413 1.00 43.11 N ATOM 1570 CA TYR A 100 52.410 -11.706 -6.095 1.00 15.13 C ATOM 1571 C TYR A 100 52.748 -12.096 -7.515 1.00 34.44 C ATOM 1572 O TYR A 100 52.425 -13.191 -7.957 1.00 3.54 O ATOM 1573 CB TYR A 100 51.272 -10.682 -6.135 1.00 21.14 C ATOM 1574 CG TYR A 100 50.859 -10.131 -4.786 1.00 60.15 C ATOM 1575 CD1 TYR A 100 50.946 -10.901 -3.639 1.00 64.34 C ATOM 1576 CD2 TYR A 100 50.369 -8.841 -4.668 1.00 74.45 C ATOM 1577 CE1 TYR A 100 50.561 -10.415 -2.419 1.00 62.13 C ATOM 1578 CE2 TYR A 100 49.982 -8.337 -3.445 1.00 71.11 C ATOM 1579 CZ TYR A 100 50.078 -9.128 -2.322 1.00 51.34 C ATOM 1580 OH TYR A 100 49.682 -8.630 -1.099 1.00 40.22 O ATOM 0 H TYR A 100 53.474 -10.208 -5.099 1.00 43.11 H new ATOM 0 HA TYR A 100 52.089 -12.583 -5.533 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.573 -9.851 -6.773 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.403 -11.145 -6.603 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.327 -11.909 -3.709 1.00 64.34 H new ATOM 0 HD2 TYR A 100 50.289 -8.220 -5.548 1.00 74.45 H new ATOM 0 HE1 TYR A 100 50.635 -11.036 -1.538 1.00 62.13 H new ATOM 0 HE2 TYR A 100 49.606 -7.328 -3.368 1.00 71.11 H new ATOM 0 HH TYR A 100 49.957 -9.248 -0.390 1.00 40.22 H new ATOM 1590 N THR A 101 53.432 -11.216 -8.204 1.00 71.31 N ATOM 1591 CA THR A 101 53.772 -11.413 -9.594 1.00 4.12 C ATOM 1592 C THR A 101 54.860 -12.471 -9.784 1.00 22.22 C ATOM 1593 O THR A 101 54.940 -13.114 -10.827 1.00 14.53 O ATOM 1594 CB THR A 101 54.177 -10.096 -10.270 1.00 52.21 C ATOM 1595 OG1 THR A 101 55.146 -9.431 -9.467 1.00 1.34 O ATOM 1596 CG2 THR A 101 52.966 -9.200 -10.475 1.00 55.24 C ATOM 0 H THR A 101 53.771 -10.336 -7.815 1.00 71.31 H new ATOM 0 HA THR A 101 52.869 -11.783 -10.079 1.00 4.12 H new ATOM 0 HB THR A 101 54.604 -10.319 -11.248 1.00 52.21 H new ATOM 0 HG1 THR A 101 55.407 -8.590 -9.898 1.00 1.34 H new ATOM 0 HG21 THR A 101 53.277 -8.272 -10.956 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.239 -9.710 -11.107 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.513 -8.974 -9.510 1.00 55.24 H new ATOM 1604 N MET A 102 55.675 -12.649 -8.770 1.00 34.35 N ATOM 1605 CA MET A 102 56.736 -13.658 -8.751 1.00 63.42 C ATOM 1606 C MET A 102 56.102 -15.031 -8.776 1.00 13.22 C ATOM 1607 O MET A 102 56.527 -15.940 -9.506 1.00 73.13 O ATOM 1608 CB MET A 102 57.519 -13.481 -7.460 1.00 43.15 C ATOM 1609 CG MET A 102 58.785 -14.289 -7.312 1.00 11.42 C ATOM 1610 SD MET A 102 59.605 -13.932 -5.737 1.00 45.04 S ATOM 1611 CE MET A 102 59.687 -12.125 -5.783 1.00 54.24 C ATOM 0 H MET A 102 55.627 -12.093 -7.916 1.00 34.35 H new ATOM 0 HA MET A 102 57.396 -13.551 -9.612 1.00 63.42 H new ATOM 0 HB2 MET A 102 57.776 -12.426 -7.361 1.00 43.15 H new ATOM 0 HB3 MET A 102 56.860 -13.727 -6.627 1.00 43.15 H new ATOM 0 HG2 MET A 102 58.551 -15.352 -7.371 1.00 11.42 H new ATOM 0 HG3 MET A 102 59.462 -14.065 -8.137 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.583 -11.788 -5.261 1.00 54.24 H new ATOM 0 HE2 MET A 102 59.722 -11.789 -6.819 1.00 54.24 H new ATOM 0 HE3 MET A 102 58.805 -11.708 -5.296 1.00 54.24 H new ATOM 1621 N ILE A 103 55.052 -15.140 -8.014 1.00 3.21 N ATOM 1622 CA ILE A 103 54.300 -16.353 -7.873 1.00 52.20 C ATOM 1623 C ILE A 103 53.372 -16.515 -9.079 1.00 5.52 C ATOM 1624 O ILE A 103 53.267 -17.591 -9.651 1.00 70.30 O ATOM 1625 CB ILE A 103 53.502 -16.317 -6.546 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.496 -16.179 -5.370 1.00 12.42 C ATOM 1627 CG2 ILE A 103 52.648 -17.573 -6.399 1.00 5.55 C ATOM 1628 CD1 ILE A 103 53.865 -15.869 -4.029 1.00 2.12 C ATOM 0 H ILE A 103 54.686 -14.367 -7.459 1.00 3.21 H new ATOM 0 HA ILE A 103 54.971 -17.211 -7.840 1.00 52.20 H new ATOM 0 HB ILE A 103 52.826 -15.462 -6.546 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.062 -17.106 -5.282 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.210 -15.391 -5.609 1.00 12.42 H new ATOM 0 HG21 ILE A 103 52.095 -17.529 -5.461 1.00 5.55 H new ATOM 0 HG22 ILE A 103 51.947 -17.636 -7.231 1.00 5.55 H new ATOM 0 HG23 ILE A 103 53.292 -18.453 -6.400 1.00 5.55 H new ATOM 0 HD11 ILE A 103 54.643 -15.792 -3.270 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.324 -14.925 -4.091 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.173 -16.667 -3.759 1.00 2.12 H new ATOM 1640 N TYR A 104 52.753 -15.415 -9.491 1.00 40.11 N ATOM 1641 CA TYR A 104 51.877 -15.387 -10.659 1.00 44.15 C ATOM 1642 C TYR A 104 52.614 -15.800 -11.942 1.00 13.14 C ATOM 1643 O TYR A 104 52.047 -16.482 -12.803 1.00 40.12 O ATOM 1644 CB TYR A 104 51.176 -14.003 -10.789 1.00 10.23 C ATOM 1645 CG TYR A 104 51.201 -13.402 -12.176 1.00 54.34 C ATOM 1646 CD1 TYR A 104 52.260 -12.603 -12.561 1.00 54.33 C ATOM 1647 CD2 TYR A 104 50.197 -13.657 -13.100 1.00 23.41 C ATOM 1648 CE1 TYR A 104 52.335 -12.077 -13.824 1.00 5.31 C ATOM 1649 CE2 TYR A 104 50.259 -13.124 -14.373 1.00 54.14 C ATOM 1650 CZ TYR A 104 51.336 -12.337 -14.727 1.00 60.51 C ATOM 1651 OH TYR A 104 51.427 -11.828 -15.996 1.00 1.15 O ATOM 0 H TYR A 104 52.844 -14.513 -9.023 1.00 40.11 H new ATOM 0 HA TYR A 104 51.096 -16.133 -10.512 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.138 -14.107 -10.473 1.00 10.23 H new ATOM 0 HB3 TYR A 104 51.651 -13.306 -10.099 1.00 10.23 H new ATOM 0 HD1 TYR A 104 53.045 -12.388 -11.852 1.00 54.33 H new ATOM 0 HD2 TYR A 104 49.359 -14.278 -12.821 1.00 23.41 H new ATOM 0 HE1 TYR A 104 53.176 -11.461 -14.107 1.00 5.31 H new ATOM 0 HE2 TYR A 104 49.471 -13.322 -15.085 1.00 54.14 H new ATOM 0 HH TYR A 104 50.642 -12.102 -16.515 1.00 1.15 H new ATOM 1661 N ARG A 105 53.872 -15.410 -12.045 1.00 53.53 N ATOM 1662 CA ARG A 105 54.703 -15.751 -13.202 1.00 5.51 C ATOM 1663 C ARG A 105 55.011 -17.248 -13.208 1.00 13.24 C ATOM 1664 O ARG A 105 55.364 -17.829 -14.231 1.00 2.23 O ATOM 1665 CB ARG A 105 56.014 -14.927 -13.194 1.00 24.32 C ATOM 1666 CG ARG A 105 56.972 -15.261 -14.331 1.00 13.52 C ATOM 1667 CD ARG A 105 58.246 -14.432 -14.297 1.00 62.13 C ATOM 1668 NE ARG A 105 59.178 -14.862 -15.351 1.00 23.52 N ATOM 1669 CZ ARG A 105 60.302 -14.226 -15.714 1.00 63.44 C ATOM 1670 NH1 ARG A 105 60.668 -13.108 -15.106 1.00 4.40 N ATOM 1671 NH2 ARG A 105 61.058 -14.718 -16.694 1.00 43.11 N ATOM 0 H ARG A 105 54.350 -14.852 -11.338 1.00 53.53 H new ATOM 0 HA ARG A 105 54.151 -15.505 -14.109 1.00 5.51 H new ATOM 0 HB2 ARG A 105 55.764 -13.867 -13.245 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.525 -15.088 -12.245 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.232 -16.318 -14.281 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.467 -15.101 -15.283 1.00 13.52 H new ATOM 0 HD2 ARG A 105 58.003 -13.378 -14.429 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.723 -14.530 -13.322 1.00 62.13 H new ATOM 0 HE ARG A 105 58.949 -15.721 -15.851 1.00 23.52 H new ATOM 0 HH11 ARG A 105 60.094 -12.724 -14.355 1.00 4.40 H new ATOM 0 HH12 ARG A 105 61.524 -12.631 -15.388 1.00 4.40 H new ATOM 0 HH21 ARG A 105 60.782 -15.578 -17.168 1.00 43.11 H new ATOM 0 HH22 ARG A 105 61.913 -14.235 -16.970 1.00 43.11 H new ATOM 1685 N ASN A 106 54.839 -17.871 -12.076 1.00 14.40 N ATOM 1686 CA ASN A 106 55.148 -19.263 -11.948 1.00 75.13 C ATOM 1687 C ASN A 106 53.942 -20.129 -11.740 1.00 64.35 C ATOM 1688 O ASN A 106 54.068 -21.322 -11.455 1.00 43.10 O ATOM 1689 CB ASN A 106 56.210 -19.526 -10.915 1.00 32.11 C ATOM 1690 CG ASN A 106 57.579 -19.116 -11.396 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.256 -19.886 -12.068 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.018 -17.931 -11.038 1.00 61.11 N ATOM 0 H ASN A 106 54.485 -17.432 -11.226 1.00 14.40 H new ATOM 0 HA ASN A 106 55.561 -19.552 -12.914 1.00 75.13 H new ATOM 0 HB2 ASN A 106 55.969 -18.983 -10.001 1.00 32.11 H new ATOM 0 HB3 ASN A 106 56.217 -20.587 -10.664 1.00 32.11 H new ATOM 0 HD21 ASN A 106 58.950 -17.626 -11.320 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.427 -17.316 -10.478 1.00 61.11 H new ATOM 1699 N LEU A 107 52.783 -19.552 -11.858 1.00 34.24 N ATOM 1700 CA LEU A 107 51.585 -20.351 -11.850 1.00 22.31 C ATOM 1701 C LEU A 107 51.203 -20.600 -13.287 1.00 22.33 C ATOM 1702 O LEU A 107 51.614 -19.845 -14.172 1.00 3.21 O ATOM 1703 CB LEU A 107 50.422 -19.707 -11.045 1.00 10.31 C ATOM 1704 CG LEU A 107 49.731 -18.473 -11.626 1.00 32.14 C ATOM 1705 CD1 LEU A 107 48.612 -18.862 -12.564 1.00 53.04 C ATOM 1706 CD2 LEU A 107 49.210 -17.567 -10.535 1.00 33.10 C ATOM 0 H LEU A 107 52.638 -18.548 -11.960 1.00 34.24 H new ATOM 0 HA LEU A 107 51.783 -21.291 -11.335 1.00 22.31 H new ATOM 0 HB2 LEU A 107 49.661 -20.472 -10.892 1.00 10.31 H new ATOM 0 HB3 LEU A 107 50.808 -19.439 -10.061 1.00 10.31 H new ATOM 0 HG LEU A 107 50.480 -17.923 -12.195 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.140 -17.963 -12.961 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.015 -19.453 -13.386 1.00 53.04 H new ATOM 0 HD13 LEU A 107 47.872 -19.451 -12.023 1.00 53.04 H new ATOM 0 HD21 LEU A 107 48.725 -16.700 -10.983 1.00 33.10 H new ATOM 0 HD22 LEU A 107 48.489 -18.111 -9.924 1.00 33.10 H new ATOM 0 HD23 LEU A 107 50.039 -17.236 -9.910 1.00 33.10 H new ATOM 1718 N VAL A 108 50.454 -21.623 -13.540 1.00 63.11 N ATOM 1719 CA VAL A 108 50.072 -21.901 -14.888 1.00 1.01 C ATOM 1720 C VAL A 108 48.609 -21.639 -15.088 1.00 71.42 C ATOM 1721 O VAL A 108 47.768 -21.970 -14.231 1.00 31.43 O ATOM 1722 CB VAL A 108 50.522 -23.300 -15.449 1.00 35.03 C ATOM 1723 CG1 VAL A 108 52.032 -23.444 -15.389 1.00 45.42 C ATOM 1724 CG2 VAL A 108 49.860 -24.462 -14.746 1.00 72.10 C ATOM 0 H VAL A 108 50.097 -22.274 -12.841 1.00 63.11 H new ATOM 0 HA VAL A 108 50.641 -21.200 -15.499 1.00 1.01 H new ATOM 0 HB VAL A 108 50.196 -23.331 -16.489 1.00 35.03 H new ATOM 0 HG11 VAL A 108 52.320 -24.419 -15.782 1.00 45.42 H new ATOM 0 HG12 VAL A 108 52.496 -22.660 -15.987 1.00 45.42 H new ATOM 0 HG13 VAL A 108 52.365 -23.357 -14.355 1.00 45.42 H new ATOM 0 HG21 VAL A 108 50.212 -25.398 -15.179 1.00 72.10 H new ATOM 0 HG22 VAL A 108 50.110 -24.436 -13.685 1.00 72.10 H new ATOM 0 HG23 VAL A 108 48.779 -24.391 -14.865 1.00 72.10 H new ATOM 1794 N THR B 305 60.605 -8.594 11.184 1.00 33.52 N ATOM 1795 CA THR B 305 61.396 -9.734 10.876 1.00 3.31 C ATOM 1796 C THR B 305 60.731 -10.516 9.720 1.00 54.44 C ATOM 1797 O THR B 305 59.490 -10.437 9.534 1.00 34.54 O ATOM 1798 CB THR B 305 61.587 -10.626 12.138 1.00 43.20 C ATOM 1799 OG1 THR B 305 62.410 -11.751 11.833 1.00 13.01 O ATOM 1800 CG2 THR B 305 60.246 -11.099 12.689 1.00 31.13 C ATOM 0 HA THR B 305 62.388 -9.416 10.555 1.00 3.31 H new ATOM 0 HB THR B 305 62.076 -10.021 12.901 1.00 43.20 H new ATOM 0 HG1 THR B 305 62.522 -12.301 12.636 1.00 13.01 H new ATOM 0 HG21 THR B 305 60.413 -11.719 13.570 1.00 31.13 H new ATOM 0 HG22 THR B 305 59.640 -10.235 12.963 1.00 31.13 H new ATOM 0 HG23 THR B 305 59.725 -11.681 11.929 1.00 31.13 H new ATOM 1808 N PHE B 306 61.543 -11.265 8.969 1.00 23.43 N ATOM 1809 CA PHE B 306 61.104 -11.997 7.775 1.00 31.21 C ATOM 1810 C PHE B 306 59.952 -12.945 8.098 1.00 61.12 C ATOM 1811 O PHE B 306 58.975 -13.033 7.348 1.00 3.43 O ATOM 1812 CB PHE B 306 62.293 -12.765 7.155 1.00 53.41 C ATOM 1813 CG PHE B 306 61.962 -13.486 5.875 1.00 65.10 C ATOM 1814 CD1 PHE B 306 61.653 -12.772 4.734 1.00 73.14 C ATOM 1815 CD2 PHE B 306 61.962 -14.877 5.809 1.00 42.23 C ATOM 1816 CE1 PHE B 306 61.346 -13.418 3.560 1.00 14.34 C ATOM 1817 CE2 PHE B 306 61.656 -15.522 4.631 1.00 4.02 C ATOM 1818 CZ PHE B 306 61.345 -14.790 3.509 1.00 41.22 C ATOM 0 H PHE B 306 62.535 -11.382 9.174 1.00 23.43 H new ATOM 0 HA PHE B 306 60.737 -11.274 7.046 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.105 -12.063 6.964 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.662 -13.489 7.882 1.00 53.41 H new ATOM 0 HD1 PHE B 306 61.653 -11.692 4.764 1.00 73.14 H new ATOM 0 HD2 PHE B 306 62.204 -15.455 6.689 1.00 42.23 H new ATOM 0 HE1 PHE B 306 61.105 -12.845 2.676 1.00 14.34 H new ATOM 0 HE2 PHE B 306 61.660 -16.601 4.589 1.00 4.02 H new ATOM 0 HZ PHE B 306 61.100 -15.295 2.586 1.00 41.22 H new ATOM 1828 N GLU B 307 60.063 -13.593 9.249 1.00 22.24 N ATOM 1829 CA GLU B 307 59.073 -14.536 9.761 1.00 73.43 C ATOM 1830 C GLU B 307 57.666 -13.913 9.790 1.00 33.30 C ATOM 1831 O GLU B 307 56.674 -14.586 9.500 1.00 31.35 O ATOM 1832 CB GLU B 307 59.491 -14.952 11.176 1.00 34.14 C ATOM 1833 CG GLU B 307 58.642 -16.032 11.825 1.00 23.45 C ATOM 1834 CD GLU B 307 59.119 -16.355 13.218 1.00 64.23 C ATOM 1835 OE1 GLU B 307 60.098 -17.124 13.365 1.00 13.13 O ATOM 1836 OE2 GLU B 307 58.536 -15.836 14.195 1.00 53.15 O ATOM 0 H GLU B 307 60.864 -13.476 9.870 1.00 22.24 H new ATOM 0 HA GLU B 307 59.032 -15.404 9.103 1.00 73.43 H new ATOM 0 HB2 GLU B 307 60.524 -15.299 11.142 1.00 34.14 H new ATOM 0 HB3 GLU B 307 59.472 -14.069 11.815 1.00 34.14 H new ATOM 0 HG2 GLU B 307 57.603 -15.704 11.863 1.00 23.45 H new ATOM 0 HG3 GLU B 307 58.670 -16.933 11.213 1.00 23.45 H new ATOM 1843 N HIS B 308 57.594 -12.618 10.072 1.00 4.31 N ATOM 1844 CA HIS B 308 56.311 -11.959 10.204 1.00 63.23 C ATOM 1845 C HIS B 308 55.856 -11.387 8.879 1.00 43.42 C ATOM 1846 O HIS B 308 54.798 -11.737 8.372 1.00 4.03 O ATOM 1847 CB HIS B 308 56.357 -10.823 11.247 1.00 63.24 C ATOM 1848 CG HIS B 308 55.007 -10.179 11.494 1.00 24.31 C ATOM 1849 ND1 HIS B 308 54.730 -8.859 11.202 1.00 22.21 N ATOM 1850 CD2 HIS B 308 53.860 -10.692 11.994 1.00 2.42 C ATOM 1851 CE1 HIS B 308 53.479 -8.591 11.502 1.00 61.43 C ATOM 1852 NE2 HIS B 308 52.926 -9.684 11.986 1.00 65.13 N ATOM 0 H HIS B 308 58.403 -12.013 10.212 1.00 4.31 H new ATOM 0 HA HIS B 308 55.603 -12.718 10.539 1.00 63.23 H new ATOM 0 HB2 HIS B 308 56.740 -11.218 12.188 1.00 63.24 H new ATOM 0 HB3 HIS B 308 57.060 -10.060 10.912 1.00 63.24 H new ATOM 0 HD2 HIS B 308 53.707 -11.705 12.336 1.00 2.42 H new ATOM 0 HE1 HIS B 308 52.988 -7.638 11.374 1.00 61.43 H new ATOM 0 HE2 HIS B 308 51.960 -9.769 12.304 1.00 65.13 H new ATOM 1860 N LEU B 309 56.686 -10.542 8.313 1.00 64.14 N ATOM 1861 CA LEU B 309 56.311 -9.752 7.155 1.00 52.01 C ATOM 1862 C LEU B 309 56.028 -10.551 5.883 1.00 42.30 C ATOM 1863 O LEU B 309 55.276 -10.100 5.023 1.00 13.44 O ATOM 1864 CB LEU B 309 57.279 -8.573 6.937 1.00 30.00 C ATOM 1865 CG LEU B 309 58.794 -8.854 6.850 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.163 -9.688 5.648 1.00 10.42 C ATOM 1867 CD2 LEU B 309 59.549 -7.554 6.826 1.00 12.40 C ATOM 0 H LEU B 309 57.639 -10.380 8.639 1.00 64.14 H new ATOM 0 HA LEU B 309 55.335 -9.332 7.399 1.00 52.01 H new ATOM 0 HB2 LEU B 309 56.984 -8.071 6.015 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.122 -7.864 7.750 1.00 30.00 H new ATOM 0 HG LEU B 309 59.068 -9.431 7.733 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.240 -9.854 5.637 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.648 -10.647 5.699 1.00 10.42 H new ATOM 0 HD13 LEU B 309 58.868 -9.165 4.738 1.00 10.42 H new ATOM 0 HD21 LEU B 309 60.618 -7.755 6.765 1.00 12.40 H new ATOM 0 HD22 LEU B 309 59.239 -6.969 5.960 1.00 12.40 H new ATOM 0 HD23 LEU B 309 59.337 -6.993 7.736 1.00 12.40 H new ATOM 1879 N TRP B 310 56.598 -11.726 5.783 1.00 43.14 N ATOM 1880 CA TRP B 310 56.401 -12.557 4.614 1.00 14.01 C ATOM 1881 C TRP B 310 55.095 -13.312 4.745 1.00 31.23 C ATOM 1882 O TRP B 310 54.283 -13.351 3.827 1.00 14.12 O ATOM 1883 CB TRP B 310 57.583 -13.527 4.437 1.00 43.11 C ATOM 1884 CG TRP B 310 57.424 -14.493 3.297 1.00 74.31 C ATOM 1885 CD1 TRP B 310 56.960 -15.761 3.375 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.721 -14.267 1.918 1.00 15.41 C ATOM 1887 NE1 TRP B 310 56.941 -16.338 2.131 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.406 -15.450 1.223 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.220 -13.190 1.207 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.572 -15.579 -0.147 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.385 -13.319 -0.150 1.00 70.43 C ATOM 1892 CH2 TRP B 310 58.064 -14.505 -0.818 1.00 52.42 C ATOM 0 H TRP B 310 57.204 -12.132 6.496 1.00 43.14 H new ATOM 0 HA TRP B 310 56.354 -11.925 3.727 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.493 -12.948 4.283 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.716 -14.091 5.360 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.649 -16.249 4.287 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.626 -17.286 1.924 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.474 -12.268 1.709 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.321 -16.496 -0.660 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 58.772 -12.484 -0.715 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.210 -14.568 -1.886 1.00 52.42 H new ATOM 1903 N SER B 311 54.870 -13.836 5.918 1.00 14.42 N ATOM 1904 CA SER B 311 53.711 -14.644 6.188 1.00 14.14 C ATOM 1905 C SER B 311 52.447 -13.780 6.259 1.00 41.41 C ATOM 1906 O SER B 311 51.335 -14.282 6.166 1.00 31.14 O ATOM 1907 CB SER B 311 53.927 -15.364 7.515 1.00 42.43 C ATOM 1908 OG SER B 311 55.228 -15.955 7.568 1.00 14.24 O ATOM 0 H SER B 311 55.489 -13.714 6.719 1.00 14.42 H new ATOM 0 HA SER B 311 53.575 -15.366 5.383 1.00 14.14 H new ATOM 0 HB2 SER B 311 53.809 -14.660 8.339 1.00 42.43 H new ATOM 0 HB3 SER B 311 53.167 -16.135 7.643 1.00 42.43 H new ATOM 0 HG SER B 311 55.770 -15.494 8.242 1.00 14.24 H new ATOM 1914 N SER B 312 52.634 -12.495 6.396 1.00 1.11 N ATOM 1915 CA SER B 312 51.550 -11.586 6.585 1.00 11.44 C ATOM 1916 C SER B 312 51.410 -10.585 5.439 1.00 60.40 C ATOM 1917 O SER B 312 50.726 -9.574 5.585 1.00 41.34 O ATOM 1918 CB SER B 312 51.740 -10.879 7.919 1.00 21.31 C ATOM 1919 OG SER B 312 51.681 -11.818 8.990 1.00 22.34 O ATOM 0 H SER B 312 53.553 -12.052 6.379 1.00 1.11 H new ATOM 0 HA SER B 312 50.619 -12.153 6.592 1.00 11.44 H new ATOM 0 HB2 SER B 312 52.700 -10.363 7.931 1.00 21.31 H new ATOM 0 HB3 SER B 312 50.969 -10.120 8.049 1.00 21.31 H new ATOM 0 HG SER B 312 51.806 -11.351 9.842 1.00 22.34 H new ATOM 1925 N LEU B 313 51.987 -10.878 4.272 1.00 4.23 N ATOM 1926 CA LEU B 313 51.911 -9.901 3.181 1.00 14.51 C ATOM 1927 C LEU B 313 50.759 -10.225 2.230 1.00 52.23 C ATOM 1928 O LEU B 313 50.667 -9.708 1.119 1.00 52.02 O ATOM 1929 CB LEU B 313 53.283 -9.711 2.472 1.00 61.41 C ATOM 1930 CG LEU B 313 53.953 -10.916 1.792 1.00 1.40 C ATOM 1931 CD1 LEU B 313 53.234 -11.315 0.523 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.407 -10.607 1.506 1.00 23.23 C ATOM 0 H LEU B 313 52.489 -11.740 4.061 1.00 4.23 H new ATOM 0 HA LEU B 313 51.679 -8.927 3.611 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.156 -8.937 1.715 1.00 61.41 H new ATOM 0 HB3 LEU B 313 53.983 -9.322 3.212 1.00 61.41 H new ATOM 0 HG LEU B 313 53.895 -11.762 2.477 1.00 1.40 H new ATOM 0 HD11 LEU B 313 53.738 -12.170 0.073 1.00 73.31 H new ATOM 0 HD12 LEU B 313 52.204 -11.583 0.757 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.241 -10.480 -0.177 1.00 73.31 H new ATOM 0 HD21 LEU B 313 55.874 -11.466 1.024 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.472 -9.742 0.847 1.00 23.23 H new ATOM 0 HD23 LEU B 313 55.924 -10.390 2.441 1.00 23.23 H new ATOM 1944 N GLU B 314 49.853 -11.017 2.742 1.00 50.02 N ATOM 1945 CA GLU B 314 48.688 -11.512 2.031 1.00 22.11 C ATOM 1946 C GLU B 314 47.682 -10.367 1.737 1.00 24.03 C ATOM 1947 O GLU B 314 47.704 -9.313 2.399 1.00 52.11 O ATOM 1948 CB GLU B 314 48.007 -12.594 2.894 1.00 41.12 C ATOM 1949 CG GLU B 314 47.476 -12.064 4.214 1.00 31.33 C ATOM 1950 CD GLU B 314 46.851 -13.127 5.083 1.00 73.45 C ATOM 1951 OE1 GLU B 314 45.674 -13.455 4.881 1.00 13.23 O ATOM 1952 OE2 GLU B 314 47.528 -13.645 5.994 1.00 40.53 O ATOM 0 H GLU B 314 49.903 -11.352 3.704 1.00 50.02 H new ATOM 0 HA GLU B 314 49.007 -11.931 1.076 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.185 -13.034 2.330 1.00 41.12 H new ATOM 0 HB3 GLU B 314 48.721 -13.393 3.092 1.00 41.12 H new ATOM 0 HG2 GLU B 314 48.292 -11.592 4.761 1.00 31.33 H new ATOM 0 HG3 GLU B 314 46.736 -11.289 4.014 1.00 31.33 H new ATOM 1959 N PRO B 315 46.814 -10.550 0.725 1.00 10.45 N ATOM 1960 CA PRO B 315 45.807 -9.569 0.382 1.00 54.32 C ATOM 1961 C PRO B 315 44.625 -9.580 1.344 1.00 3.22 C ATOM 1962 O PRO B 315 44.462 -8.650 2.135 1.00 2.51 O ATOM 1963 CB PRO B 315 45.383 -9.942 -1.045 1.00 25.23 C ATOM 1964 CG PRO B 315 45.798 -11.365 -1.245 1.00 44.42 C ATOM 1965 CD PRO B 315 46.786 -11.716 -0.166 1.00 62.12 C ATOM 0 HA PRO B 315 46.197 -8.553 0.449 1.00 54.32 H new ATOM 0 HB2 PRO B 315 44.307 -9.829 -1.173 1.00 25.23 H new ATOM 0 HB3 PRO B 315 45.862 -9.290 -1.776 1.00 25.23 H new ATOM 0 HG2 PRO B 315 44.932 -12.025 -1.198 1.00 44.42 H new ATOM 0 HG3 PRO B 315 46.246 -11.497 -2.230 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.480 -12.614 0.371 1.00 62.12 H new ATOM 0 HD3 PRO B 315 47.772 -11.915 -0.585 1.00 62.12 H new ATOM 1973 N ASP B 316 43.843 -10.631 1.310 1.00 41.21 N ATOM 1974 CA ASP B 316 42.664 -10.734 2.117 1.00 41.22 C ATOM 1975 C ASP B 316 42.292 -12.170 2.287 1.00 10.30 C ATOM 1976 O ASP B 316 42.150 -12.624 3.439 1.00 0.00 O ATOM 1977 CB ASP B 316 41.506 -9.959 1.511 1.00 11.05 C ATOM 1978 CG ASP B 316 40.217 -10.204 2.259 1.00 61.13 C ATOM 1979 OD1 ASP B 316 40.087 -9.729 3.410 1.00 1.52 O ATOM 1980 OD2 ASP B 316 39.292 -10.847 1.709 1.00 52.21 O ATOM 1981 OXT ASP B 316 42.235 -12.888 1.280 1.00 0.00 O ATOM 0 H ASP B 316 44.013 -11.442 0.715 1.00 41.21 H new ATOM 0 HA ASP B 316 42.880 -10.297 3.092 1.00 41.22 H new ATOM 0 HB2 ASP B 316 41.736 -8.894 1.522 1.00 11.05 H new ATOM 0 HB3 ASP B 316 41.382 -10.248 0.467 1.00 11.05 H new