USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=30 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= -1.91! C(o=-1.9!,f=-9.6!) USER MOD Set 1.2: B 305 THR OG1 : rot 179:sc= 0.0105 USER MOD Set 2.1: A 71 GLN : amide:sc= 0.136 X(o=-0.32,f=-0.24) USER MOD Set 2.2: A 73 HIS : no HE2:sc= -0.457 K(o=-0.32,f=-1.4) USER MOD Set 3.1: A 36 LYS NZ :NH3+ 180:sc= 1.61 (180deg=1.27) USER MOD Set 3.2: A 60 TYR OH : rot -157:sc= 1.53 USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= 1.29 (180deg=0.918) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.11) USER MOD Single : A 40 SER OG : rot 105:sc= 1.3 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= 1.22 (180deg=0.481) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -57:sc= 0.605 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 50 MET CE :methyl -161:sc= -1.3 (180deg=-1.68) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 2.33 (180deg=2.31) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.196 K(o=0.2,f=-0.45) USER MOD Single : A 62 MET CE :methyl -171:sc= -0.339 (180deg=-0.654) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -152:sc= 1.27 (180deg=1.21) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -97:sc= -8.39! USER MOD Single : A 78 SER OG : rot -55:sc= -0.0143 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= -0.0352 (180deg=-0.352) USER MOD Single : A 96 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.43) USER MOD Single : A 98 LYS NZ :NH3+ -144:sc= 1.21 (180deg=0.932) USER MOD Single : A 100 TYR OH : rot 41:sc= 1.27 USER MOD Single : A 101 THR OG1 : rot -77:sc= 0.279 USER MOD Single : A 102 MET CE :methyl -152:sc= -1.15 (180deg=-1.71) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.502 K(o=-0.5,f=-3.4!) USER MOD Single : B 308 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : B 311 SER OG : rot 122:sc= 1.21 USER MOD Single : B 312 SER OG : rot 108:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 333 N LEU A 27 42.946 -21.298 -6.791 1.00 5.11 N ATOM 334 CA LEU A 27 44.077 -22.152 -6.601 1.00 60.50 C ATOM 335 C LEU A 27 44.997 -21.983 -7.774 1.00 75.55 C ATOM 336 O LEU A 27 44.561 -21.973 -8.928 1.00 13.21 O ATOM 337 CB LEU A 27 43.652 -23.614 -6.452 1.00 70.13 C ATOM 338 CG LEU A 27 42.811 -23.955 -5.224 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.383 -25.412 -5.258 1.00 0.21 C ATOM 340 CD2 LEU A 27 43.588 -23.671 -3.955 1.00 40.21 C ATOM 0 HA LEU A 27 44.590 -21.875 -5.680 1.00 60.50 H new ATOM 0 HB2 LEU A 27 43.089 -23.898 -7.341 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.551 -24.231 -6.433 1.00 70.13 H new ATOM 0 HG LEU A 27 41.919 -23.329 -5.237 1.00 24.53 H new ATOM 0 HD11 LEU A 27 41.785 -25.636 -4.375 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.790 -25.596 -6.154 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.266 -26.051 -5.269 1.00 0.21 H new ATOM 0 HD21 LEU A 27 42.974 -23.919 -3.089 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.496 -24.274 -3.941 1.00 40.21 H new ATOM 0 HD23 LEU A 27 43.854 -22.615 -3.920 1.00 40.21 H new ATOM 352 N VAL A 28 46.240 -21.847 -7.495 1.00 40.25 N ATOM 353 CA VAL A 28 47.205 -21.583 -8.503 1.00 11.42 C ATOM 354 C VAL A 28 47.912 -22.854 -8.878 1.00 51.22 C ATOM 355 O VAL A 28 48.089 -23.745 -8.047 1.00 23.41 O ATOM 356 CB VAL A 28 48.217 -20.505 -8.045 1.00 72.31 C ATOM 357 CG1 VAL A 28 47.484 -19.231 -7.626 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.132 -20.995 -6.918 1.00 61.10 C ATOM 0 H VAL A 28 46.623 -21.916 -6.552 1.00 40.25 H new ATOM 0 HA VAL A 28 46.689 -21.193 -9.380 1.00 11.42 H new ATOM 0 HB VAL A 28 48.858 -20.286 -8.899 1.00 72.31 H new ATOM 0 HG11 VAL A 28 48.209 -18.482 -7.307 1.00 1.12 H new ATOM 0 HG12 VAL A 28 46.913 -18.846 -8.470 1.00 1.12 H new ATOM 0 HG13 VAL A 28 46.807 -19.455 -6.802 1.00 1.12 H new ATOM 0 HG21 VAL A 28 49.821 -20.199 -6.637 1.00 61.10 H new ATOM 0 HG22 VAL A 28 48.528 -21.274 -6.055 1.00 61.10 H new ATOM 0 HG23 VAL A 28 49.699 -21.861 -7.260 1.00 61.10 H new ATOM 368 N ARG A 29 48.276 -22.953 -10.124 1.00 35.24 N ATOM 369 CA ARG A 29 48.928 -24.134 -10.648 1.00 74.24 C ATOM 370 C ARG A 29 50.422 -23.869 -10.703 1.00 40.32 C ATOM 371 O ARG A 29 50.882 -23.214 -11.626 1.00 20.51 O ATOM 372 CB ARG A 29 48.427 -24.402 -12.066 1.00 11.01 C ATOM 373 CG ARG A 29 46.915 -24.413 -12.232 1.00 63.52 C ATOM 374 CD ARG A 29 46.282 -25.498 -11.414 1.00 40.33 C ATOM 375 NE ARG A 29 44.815 -25.515 -11.561 1.00 65.21 N ATOM 376 CZ ARG A 29 44.014 -26.563 -11.288 1.00 15.23 C ATOM 377 NH1 ARG A 29 44.525 -27.735 -10.921 1.00 52.24 N ATOM 378 NH2 ARG A 29 42.706 -26.436 -11.415 1.00 32.15 N ATOM 0 H ARG A 29 48.131 -22.216 -10.815 1.00 35.24 H new ATOM 0 HA ARG A 29 48.711 -24.993 -10.013 1.00 74.24 H new ATOM 0 HB2 ARG A 29 48.843 -23.644 -12.730 1.00 11.01 H new ATOM 0 HB3 ARG A 29 48.819 -25.364 -12.396 1.00 11.01 H new ATOM 0 HG2 ARG A 29 46.508 -23.447 -11.934 1.00 63.52 H new ATOM 0 HG3 ARG A 29 46.664 -24.555 -13.283 1.00 63.52 H new ATOM 0 HD2 ARG A 29 46.688 -26.463 -11.716 1.00 40.33 H new ATOM 0 HD3 ARG A 29 46.540 -25.358 -10.364 1.00 40.33 H new ATOM 0 HE ARG A 29 44.369 -24.662 -11.898 1.00 65.21 H new ATOM 0 HH11 ARG A 29 45.536 -27.849 -10.843 1.00 52.24 H new ATOM 0 HH12 ARG A 29 43.906 -28.520 -10.717 1.00 52.24 H new ATOM 0 HH21 ARG A 29 42.307 -25.548 -11.718 1.00 32.15 H new ATOM 0 HH22 ARG A 29 42.095 -27.226 -11.210 1.00 32.15 H new ATOM 392 N PRO A 30 51.197 -24.312 -9.713 1.00 1.41 N ATOM 393 CA PRO A 30 52.620 -24.028 -9.659 1.00 43.14 C ATOM 394 C PRO A 30 53.432 -24.844 -10.664 1.00 24.23 C ATOM 395 O PRO A 30 53.159 -26.037 -10.893 1.00 23.12 O ATOM 396 CB PRO A 30 53.020 -24.413 -8.219 1.00 54.02 C ATOM 397 CG PRO A 30 51.738 -24.706 -7.510 1.00 53.23 C ATOM 398 CD PRO A 30 50.778 -25.130 -8.571 1.00 55.33 C ATOM 0 HA PRO A 30 52.821 -22.987 -9.912 1.00 43.14 H new ATOM 0 HB2 PRO A 30 53.678 -25.282 -8.214 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.560 -23.601 -7.732 1.00 54.02 H new ATOM 0 HG2 PRO A 30 51.872 -25.492 -6.767 1.00 53.23 H new ATOM 0 HG3 PRO A 30 51.373 -23.826 -6.981 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.852 -26.196 -8.785 1.00 55.33 H new ATOM 0 HD3 PRO A 30 49.744 -24.933 -8.287 1.00 55.33 H new ATOM 406 N LYS A 31 54.400 -24.192 -11.280 1.00 71.41 N ATOM 407 CA LYS A 31 55.348 -24.841 -12.176 1.00 13.12 C ATOM 408 C LYS A 31 56.303 -25.721 -11.334 1.00 60.43 C ATOM 409 O LYS A 31 56.361 -25.547 -10.103 1.00 12.54 O ATOM 410 CB LYS A 31 56.111 -23.756 -12.976 1.00 45.42 C ATOM 411 CG LYS A 31 55.216 -22.992 -13.944 1.00 33.03 C ATOM 412 CD LYS A 31 55.930 -21.814 -14.598 1.00 44.22 C ATOM 413 CE LYS A 31 54.960 -21.033 -15.474 1.00 72.11 C ATOM 414 NZ LYS A 31 55.557 -19.816 -16.074 1.00 53.45 N ATOM 0 H LYS A 31 54.555 -23.189 -11.174 1.00 71.41 H new ATOM 0 HA LYS A 31 54.837 -25.484 -12.892 1.00 13.12 H new ATOM 0 HB2 LYS A 31 56.568 -23.053 -12.280 1.00 45.42 H new ATOM 0 HB3 LYS A 31 56.922 -24.226 -13.533 1.00 45.42 H new ATOM 0 HG2 LYS A 31 54.861 -23.672 -14.718 1.00 33.03 H new ATOM 0 HG3 LYS A 31 54.337 -22.629 -13.411 1.00 33.03 H new ATOM 0 HD2 LYS A 31 56.346 -21.160 -13.831 1.00 44.22 H new ATOM 0 HD3 LYS A 31 56.766 -22.173 -15.199 1.00 44.22 H new ATOM 0 HE2 LYS A 31 54.599 -21.682 -16.271 1.00 72.11 H new ATOM 0 HE3 LYS A 31 54.093 -20.747 -14.878 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 54.947 -19.474 -16.844 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 55.644 -19.077 -15.347 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 56.499 -20.042 -16.453 1.00 53.45 H new ATOM 428 N PRO A 32 57.069 -26.668 -11.955 1.00 4.31 N ATOM 429 CA PRO A 32 57.983 -27.600 -11.232 1.00 5.12 C ATOM 430 C PRO A 32 58.960 -26.886 -10.293 1.00 74.20 C ATOM 431 O PRO A 32 59.398 -27.439 -9.293 1.00 50.13 O ATOM 432 CB PRO A 32 58.752 -28.298 -12.369 1.00 54.05 C ATOM 433 CG PRO A 32 58.523 -27.429 -13.551 1.00 52.24 C ATOM 434 CD PRO A 32 57.119 -26.947 -13.403 1.00 71.25 C ATOM 0 HA PRO A 32 57.426 -28.277 -10.584 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.814 -28.384 -12.138 1.00 54.05 H new ATOM 0 HB3 PRO A 32 58.380 -29.308 -12.540 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.227 -26.597 -13.573 1.00 52.24 H new ATOM 0 HG3 PRO A 32 58.655 -27.983 -14.481 1.00 52.24 H new ATOM 0 HD2 PRO A 32 56.923 -26.057 -14.002 1.00 71.25 H new ATOM 0 HD3 PRO A 32 56.390 -27.700 -13.703 1.00 71.25 H new ATOM 442 N LEU A 33 59.261 -25.655 -10.616 1.00 43.22 N ATOM 443 CA LEU A 33 60.157 -24.836 -9.833 1.00 61.34 C ATOM 444 C LEU A 33 59.534 -24.529 -8.463 1.00 33.42 C ATOM 445 O LEU A 33 60.189 -24.599 -7.419 1.00 21.42 O ATOM 446 CB LEU A 33 60.445 -23.559 -10.602 1.00 61.22 C ATOM 447 CG LEU A 33 60.996 -23.777 -12.015 1.00 51.04 C ATOM 448 CD1 LEU A 33 61.134 -22.468 -12.743 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.327 -24.514 -11.970 1.00 21.44 C ATOM 0 H LEU A 33 58.887 -25.185 -11.440 1.00 43.22 H new ATOM 0 HA LEU A 33 61.093 -25.367 -9.658 1.00 61.34 H new ATOM 0 HB2 LEU A 33 59.526 -22.976 -10.670 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.160 -22.962 -10.035 1.00 61.22 H new ATOM 0 HG LEU A 33 60.285 -24.396 -12.563 1.00 51.04 H new ATOM 0 HD11 LEU A 33 61.527 -22.648 -13.744 1.00 51.51 H new ATOM 0 HD12 LEU A 33 60.158 -21.988 -12.817 1.00 51.51 H new ATOM 0 HD13 LEU A 33 61.817 -21.818 -12.196 1.00 51.51 H new ATOM 0 HD21 LEU A 33 62.698 -24.657 -12.985 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.048 -23.929 -11.399 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.189 -25.485 -11.494 1.00 21.44 H new ATOM 461 N LEU A 34 58.255 -24.247 -8.465 1.00 3.45 N ATOM 462 CA LEU A 34 57.559 -23.990 -7.229 1.00 64.14 C ATOM 463 C LEU A 34 57.299 -25.285 -6.524 1.00 22.24 C ATOM 464 O LEU A 34 57.387 -25.359 -5.320 1.00 75.12 O ATOM 465 CB LEU A 34 56.270 -23.182 -7.430 1.00 35.35 C ATOM 466 CG LEU A 34 56.419 -21.648 -7.494 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.419 -21.226 -8.547 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.070 -20.993 -7.750 1.00 52.54 C ATOM 0 H LEU A 34 57.677 -24.190 -9.304 1.00 3.45 H new ATOM 0 HA LEU A 34 58.199 -23.367 -6.605 1.00 64.14 H new ATOM 0 HB2 LEU A 34 55.798 -23.517 -8.354 1.00 35.35 H new ATOM 0 HB3 LEU A 34 55.586 -23.424 -6.617 1.00 35.35 H new ATOM 0 HG LEU A 34 56.797 -21.314 -6.528 1.00 62.21 H new ATOM 0 HD11 LEU A 34 57.496 -20.139 -8.561 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.394 -21.655 -8.316 1.00 72.03 H new ATOM 0 HD13 LEU A 34 57.089 -21.579 -9.524 1.00 72.03 H new ATOM 0 HD21 LEU A 34 55.193 -19.911 -7.792 1.00 52.54 H new ATOM 0 HD22 LEU A 34 54.666 -21.350 -8.698 1.00 52.54 H new ATOM 0 HD23 LEU A 34 54.383 -21.249 -6.944 1.00 52.54 H new ATOM 480 N LEU A 35 57.050 -26.327 -7.292 1.00 65.12 N ATOM 481 CA LEU A 35 56.852 -27.651 -6.733 1.00 5.32 C ATOM 482 C LEU A 35 58.096 -28.140 -6.013 1.00 54.41 C ATOM 483 O LEU A 35 57.998 -28.864 -5.006 1.00 53.44 O ATOM 484 CB LEU A 35 56.457 -28.642 -7.805 1.00 2.42 C ATOM 485 CG LEU A 35 55.127 -28.381 -8.493 1.00 12.12 C ATOM 486 CD1 LEU A 35 54.874 -29.458 -9.500 1.00 24.24 C ATOM 487 CD2 LEU A 35 53.994 -28.330 -7.476 1.00 71.40 C ATOM 0 H LEU A 35 56.980 -26.283 -8.309 1.00 65.12 H new ATOM 0 HA LEU A 35 56.041 -27.575 -6.009 1.00 5.32 H new ATOM 0 HB2 LEU A 35 57.239 -28.658 -8.564 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.425 -29.636 -7.359 1.00 2.42 H new ATOM 0 HG LEU A 35 55.170 -27.415 -8.996 1.00 12.12 H new ATOM 0 HD11 LEU A 35 53.921 -29.275 -9.996 1.00 24.24 H new ATOM 0 HD12 LEU A 35 55.674 -29.459 -10.240 1.00 24.24 H new ATOM 0 HD13 LEU A 35 54.842 -30.425 -8.998 1.00 24.24 H new ATOM 0 HD21 LEU A 35 53.052 -28.142 -7.990 1.00 71.40 H new ATOM 0 HD22 LEU A 35 53.936 -29.282 -6.948 1.00 71.40 H new ATOM 0 HD23 LEU A 35 54.183 -27.529 -6.761 1.00 71.40 H new ATOM 499 N LYS A 36 59.271 -27.740 -6.508 1.00 42.34 N ATOM 500 CA LYS A 36 60.504 -28.135 -5.877 1.00 34.14 C ATOM 501 C LYS A 36 60.582 -27.475 -4.503 1.00 62.12 C ATOM 502 O LYS A 36 60.884 -28.127 -3.511 1.00 31.42 O ATOM 503 CB LYS A 36 61.775 -27.807 -6.745 1.00 22.41 C ATOM 504 CG LYS A 36 62.388 -26.400 -6.551 1.00 43.13 C ATOM 505 CD LYS A 36 63.479 -26.080 -7.569 1.00 75.31 C ATOM 506 CE LYS A 36 64.075 -24.677 -7.347 1.00 21.21 C ATOM 507 NZ LYS A 36 64.971 -24.596 -6.158 1.00 23.02 N ATOM 0 H LYS A 36 59.380 -27.151 -7.333 1.00 42.34 H new ATOM 0 HA LYS A 36 60.501 -29.220 -5.771 1.00 34.14 H new ATOM 0 HB2 LYS A 36 62.542 -28.549 -6.524 1.00 22.41 H new ATOM 0 HB3 LYS A 36 61.512 -27.925 -7.796 1.00 22.41 H new ATOM 0 HG2 LYS A 36 61.598 -25.652 -6.625 1.00 43.13 H new ATOM 0 HG3 LYS A 36 62.803 -26.326 -5.546 1.00 43.13 H new ATOM 0 HD2 LYS A 36 64.271 -26.826 -7.500 1.00 75.31 H new ATOM 0 HD3 LYS A 36 63.067 -26.145 -8.576 1.00 75.31 H new ATOM 0 HE2 LYS A 36 64.635 -24.383 -8.235 1.00 21.21 H new ATOM 0 HE3 LYS A 36 63.263 -23.960 -7.230 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 65.338 -23.627 -6.065 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 64.436 -24.847 -5.302 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 65.765 -25.257 -6.276 1.00 23.02 H new ATOM 521 N LEU A 37 60.203 -26.200 -4.433 1.00 21.34 N ATOM 522 CA LEU A 37 60.301 -25.483 -3.187 1.00 4.13 C ATOM 523 C LEU A 37 59.212 -25.929 -2.212 1.00 55.22 C ATOM 524 O LEU A 37 59.493 -26.208 -1.051 1.00 44.31 O ATOM 525 CB LEU A 37 60.357 -23.935 -3.412 1.00 20.40 C ATOM 526 CG LEU A 37 59.105 -23.183 -3.908 1.00 70.33 C ATOM 527 CD1 LEU A 37 58.146 -22.877 -2.760 1.00 0.31 C ATOM 528 CD2 LEU A 37 59.503 -21.907 -4.635 1.00 24.22 C ATOM 0 H LEU A 37 59.833 -25.660 -5.215 1.00 21.34 H new ATOM 0 HA LEU A 37 61.250 -25.737 -2.715 1.00 4.13 H new ATOM 0 HB2 LEU A 37 60.655 -23.480 -2.467 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.157 -23.740 -4.126 1.00 20.40 H new ATOM 0 HG LEU A 37 58.581 -23.832 -4.609 1.00 70.33 H new ATOM 0 HD11 LEU A 37 57.275 -22.347 -3.145 1.00 0.31 H new ATOM 0 HD12 LEU A 37 57.827 -23.809 -2.294 1.00 0.31 H new ATOM 0 HD13 LEU A 37 58.651 -22.256 -2.020 1.00 0.31 H new ATOM 0 HD21 LEU A 37 58.607 -21.389 -4.978 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.059 -21.260 -3.956 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.128 -22.157 -5.492 1.00 24.22 H new ATOM 540 N LEU A 38 57.998 -26.071 -2.726 1.00 2.01 N ATOM 541 CA LEU A 38 56.833 -26.451 -1.938 1.00 62.52 C ATOM 542 C LEU A 38 57.009 -27.820 -1.298 1.00 61.11 C ATOM 543 O LEU A 38 56.865 -27.975 -0.085 1.00 21.21 O ATOM 544 CB LEU A 38 55.556 -26.444 -2.809 1.00 42.14 C ATOM 545 CG LEU A 38 55.093 -25.088 -3.370 1.00 23.53 C ATOM 546 CD1 LEU A 38 53.930 -25.286 -4.323 1.00 63.33 C ATOM 547 CD2 LEU A 38 54.684 -24.145 -2.253 1.00 34.23 C ATOM 0 H LEU A 38 57.792 -25.924 -3.714 1.00 2.01 H new ATOM 0 HA LEU A 38 56.729 -25.713 -1.143 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.717 -27.120 -3.649 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.741 -26.860 -2.217 1.00 42.14 H new ATOM 0 HG LEU A 38 55.930 -24.643 -3.908 1.00 23.53 H new ATOM 0 HD11 LEU A 38 53.611 -24.320 -4.714 1.00 63.33 H new ATOM 0 HD12 LEU A 38 54.241 -25.926 -5.149 1.00 63.33 H new ATOM 0 HD13 LEU A 38 53.101 -25.755 -3.793 1.00 63.33 H new ATOM 0 HD21 LEU A 38 54.361 -23.195 -2.679 1.00 34.23 H new ATOM 0 HD22 LEU A 38 53.864 -24.586 -1.687 1.00 34.23 H new ATOM 0 HD23 LEU A 38 55.533 -23.976 -1.590 1.00 34.23 H new ATOM 559 N LYS A 39 57.366 -28.809 -2.085 1.00 4.41 N ATOM 560 CA LYS A 39 57.430 -30.155 -1.559 1.00 72.50 C ATOM 561 C LYS A 39 58.685 -30.412 -0.754 1.00 71.11 C ATOM 562 O LYS A 39 58.767 -31.400 -0.015 1.00 23.23 O ATOM 563 CB LYS A 39 57.159 -31.211 -2.626 1.00 34.33 C ATOM 564 CG LYS A 39 55.735 -31.121 -3.161 1.00 51.34 C ATOM 565 CD LYS A 39 55.406 -32.222 -4.143 1.00 50.31 C ATOM 566 CE LYS A 39 53.967 -32.089 -4.629 1.00 14.03 C ATOM 567 NZ LYS A 39 53.583 -33.165 -5.562 1.00 31.25 N ATOM 0 H LYS A 39 57.612 -28.713 -3.070 1.00 4.41 H new ATOM 0 HA LYS A 39 56.612 -30.247 -0.844 1.00 72.50 H new ATOM 0 HB2 LYS A 39 57.865 -31.087 -3.448 1.00 34.33 H new ATOM 0 HB3 LYS A 39 57.328 -32.203 -2.207 1.00 34.33 H new ATOM 0 HG2 LYS A 39 55.035 -31.164 -2.326 1.00 51.34 H new ATOM 0 HG3 LYS A 39 55.594 -30.155 -3.645 1.00 51.34 H new ATOM 0 HD2 LYS A 39 56.089 -32.177 -4.992 1.00 50.31 H new ATOM 0 HD3 LYS A 39 55.549 -33.194 -3.670 1.00 50.31 H new ATOM 0 HE2 LYS A 39 53.295 -32.100 -3.771 1.00 14.03 H new ATOM 0 HE3 LYS A 39 53.841 -31.124 -5.121 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 52.555 -33.140 -5.717 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 54.073 -33.029 -6.469 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 53.850 -34.086 -5.159 1.00 31.25 H new ATOM 581 N SER A 40 59.645 -29.516 -0.849 1.00 51.14 N ATOM 582 CA SER A 40 60.803 -29.617 -0.005 1.00 42.10 C ATOM 583 C SER A 40 60.498 -29.082 1.406 1.00 14.45 C ATOM 584 O SER A 40 61.196 -29.399 2.363 1.00 42.43 O ATOM 585 CB SER A 40 61.995 -28.896 -0.619 1.00 12.23 C ATOM 586 OG SER A 40 62.353 -29.495 -1.861 1.00 61.15 O ATOM 0 H SER A 40 59.643 -28.725 -1.492 1.00 51.14 H new ATOM 0 HA SER A 40 61.065 -30.671 0.083 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.752 -27.844 -0.772 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.842 -28.931 0.066 1.00 12.23 H new ATOM 0 HG SER A 40 62.053 -28.923 -2.598 1.00 61.15 H new ATOM 592 N VAL A 41 59.441 -28.286 1.531 1.00 11.22 N ATOM 593 CA VAL A 41 59.076 -27.716 2.824 1.00 71.41 C ATOM 594 C VAL A 41 57.799 -28.327 3.392 1.00 64.32 C ATOM 595 O VAL A 41 57.202 -27.800 4.331 1.00 51.12 O ATOM 596 CB VAL A 41 58.998 -26.174 2.799 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.371 -25.606 2.520 1.00 44.32 C ATOM 598 CG2 VAL A 41 58.009 -25.690 1.757 1.00 74.11 C ATOM 0 H VAL A 41 58.827 -28.022 0.761 1.00 11.22 H new ATOM 0 HA VAL A 41 59.889 -27.981 3.500 1.00 71.41 H new ATOM 0 HB VAL A 41 58.650 -25.829 3.772 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.318 -24.517 2.502 1.00 44.32 H new ATOM 0 HG12 VAL A 41 61.061 -25.923 3.302 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.725 -25.968 1.555 1.00 44.32 H new ATOM 0 HG21 VAL A 41 57.977 -24.600 1.764 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.319 -26.037 0.772 1.00 74.11 H new ATOM 0 HG23 VAL A 41 57.018 -26.084 1.985 1.00 74.11 H new ATOM 608 N GLY A 42 57.408 -29.445 2.835 1.00 13.41 N ATOM 609 CA GLY A 42 56.297 -30.189 3.375 1.00 34.34 C ATOM 610 C GLY A 42 54.949 -29.790 2.829 1.00 74.23 C ATOM 611 O GLY A 42 53.970 -29.749 3.574 1.00 22.34 O ATOM 0 H GLY A 42 57.841 -29.860 2.010 1.00 13.41 H new ATOM 0 HA2 GLY A 42 56.456 -31.249 3.176 1.00 34.34 H new ATOM 0 HA3 GLY A 42 56.287 -30.066 4.458 1.00 34.34 H new ATOM 615 N ALA A 43 54.888 -29.472 1.553 1.00 52.43 N ATOM 616 CA ALA A 43 53.607 -29.189 0.913 1.00 31.35 C ATOM 617 C ALA A 43 52.747 -30.440 0.917 1.00 13.11 C ATOM 618 O ALA A 43 53.215 -31.525 0.585 1.00 2.23 O ATOM 619 CB ALA A 43 53.797 -28.707 -0.500 1.00 2.41 C ATOM 0 H ALA A 43 55.698 -29.402 0.938 1.00 52.43 H new ATOM 0 HA ALA A 43 53.112 -28.399 1.477 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.825 -28.505 -0.949 1.00 2.41 H new ATOM 0 HB2 ALA A 43 54.392 -27.794 -0.496 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.312 -29.473 -1.080 1.00 2.41 H new ATOM 625 N GLN A 44 51.511 -30.290 1.301 1.00 11.11 N ATOM 626 CA GLN A 44 50.594 -31.416 1.415 1.00 14.10 C ATOM 627 C GLN A 44 49.572 -31.392 0.300 1.00 41.31 C ATOM 628 O GLN A 44 48.716 -32.273 0.193 1.00 14.35 O ATOM 629 CB GLN A 44 49.903 -31.392 2.772 1.00 34.11 C ATOM 630 CG GLN A 44 50.876 -31.440 3.929 1.00 12.52 C ATOM 631 CD GLN A 44 50.193 -31.457 5.279 1.00 43.54 C ATOM 632 OE1 GLN A 44 49.922 -30.405 5.862 1.00 52.22 O ATOM 633 NE2 GLN A 44 49.921 -32.627 5.792 1.00 5.12 N ATOM 0 H GLN A 44 51.100 -29.389 1.546 1.00 11.11 H new ATOM 0 HA GLN A 44 51.167 -32.339 1.328 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.298 -30.489 2.850 1.00 34.11 H new ATOM 0 HB3 GLN A 44 49.221 -32.240 2.842 1.00 34.11 H new ATOM 0 HG2 GLN A 44 51.501 -32.328 3.834 1.00 12.52 H new ATOM 0 HG3 GLN A 44 51.539 -30.576 3.875 1.00 12.52 H new ATOM 0 HE21 GLN A 44 50.160 -33.476 5.280 1.00 5.12 H new ATOM 0 HE22 GLN A 44 49.469 -32.691 6.704 1.00 5.12 H new ATOM 642 N LYS A 45 49.661 -30.383 -0.519 1.00 34.22 N ATOM 643 CA LYS A 45 48.775 -30.212 -1.639 1.00 1.22 C ATOM 644 C LYS A 45 49.597 -29.863 -2.865 1.00 34.45 C ATOM 645 O LYS A 45 50.741 -29.436 -2.740 1.00 73.42 O ATOM 646 CB LYS A 45 47.709 -29.126 -1.358 1.00 41.14 C ATOM 647 CG LYS A 45 46.743 -29.471 -0.216 1.00 41.43 C ATOM 648 CD LYS A 45 45.654 -28.411 -0.015 1.00 52.41 C ATOM 649 CE LYS A 45 46.219 -27.068 0.428 1.00 2.42 C ATOM 650 NZ LYS A 45 45.167 -26.055 0.648 1.00 21.35 N ATOM 0 H LYS A 45 50.360 -29.645 -0.428 1.00 34.22 H new ATOM 0 HA LYS A 45 48.237 -31.144 -1.813 1.00 1.22 H new ATOM 0 HB2 LYS A 45 48.214 -28.190 -1.121 1.00 41.14 H new ATOM 0 HB3 LYS A 45 47.132 -28.955 -2.267 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.273 -30.433 -0.422 1.00 41.43 H new ATOM 0 HG3 LYS A 45 47.308 -29.584 0.709 1.00 41.43 H new ATOM 0 HD2 LYS A 45 45.103 -28.280 -0.947 1.00 52.41 H new ATOM 0 HD3 LYS A 45 44.941 -28.765 0.730 1.00 52.41 H new ATOM 0 HE2 LYS A 45 46.787 -27.203 1.349 1.00 2.42 H new ATOM 0 HE3 LYS A 45 46.916 -26.704 -0.327 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 45.476 -25.387 1.383 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 44.992 -25.538 -0.237 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 44.291 -26.525 0.953 1.00 21.35 H new ATOM 664 N ASP A 46 49.036 -30.065 -4.030 1.00 71.23 N ATOM 665 CA ASP A 46 49.738 -29.774 -5.286 1.00 33.11 C ATOM 666 C ASP A 46 49.297 -28.434 -5.807 1.00 43.41 C ATOM 667 O ASP A 46 49.869 -27.894 -6.752 1.00 45.42 O ATOM 668 CB ASP A 46 49.452 -30.837 -6.365 1.00 22.43 C ATOM 669 CG ASP A 46 49.914 -32.228 -6.007 1.00 54.13 C ATOM 670 OD1 ASP A 46 51.094 -32.574 -6.272 1.00 45.24 O ATOM 671 OD2 ASP A 46 49.091 -33.015 -5.483 1.00 72.22 O ATOM 0 H ASP A 46 48.092 -30.431 -4.151 1.00 71.23 H new ATOM 0 HA ASP A 46 50.807 -29.778 -5.073 1.00 33.11 H new ATOM 0 HB2 ASP A 46 48.380 -30.862 -6.558 1.00 22.43 H new ATOM 0 HB3 ASP A 46 49.936 -30.534 -7.293 1.00 22.43 H new ATOM 676 N THR A 47 48.249 -27.924 -5.223 1.00 73.34 N ATOM 677 CA THR A 47 47.685 -26.676 -5.590 1.00 64.41 C ATOM 678 C THR A 47 47.534 -25.859 -4.316 1.00 71.43 C ATOM 679 O THR A 47 47.332 -26.435 -3.239 1.00 40.44 O ATOM 680 CB THR A 47 46.303 -26.911 -6.153 1.00 20.33 C ATOM 681 OG1 THR A 47 46.212 -28.289 -6.609 1.00 44.41 O ATOM 682 CG2 THR A 47 46.085 -26.036 -7.342 1.00 54.35 C ATOM 0 H THR A 47 47.757 -28.386 -4.458 1.00 73.34 H new ATOM 0 HA THR A 47 48.311 -26.170 -6.325 1.00 64.41 H new ATOM 0 HB THR A 47 45.564 -26.696 -5.381 1.00 20.33 H new ATOM 0 HG1 THR A 47 45.318 -28.454 -6.975 1.00 44.41 H new ATOM 0 HG21 THR A 47 45.087 -26.210 -7.744 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.180 -24.991 -7.047 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.828 -26.267 -8.105 1.00 54.35 H new ATOM 690 N TYR A 48 47.622 -24.558 -4.426 1.00 21.32 N ATOM 691 CA TYR A 48 47.577 -23.668 -3.277 1.00 72.11 C ATOM 692 C TYR A 48 47.015 -22.334 -3.690 1.00 63.32 C ATOM 693 O TYR A 48 46.904 -22.075 -4.884 1.00 44.22 O ATOM 694 CB TYR A 48 48.989 -23.478 -2.750 1.00 30.34 C ATOM 695 CG TYR A 48 49.493 -24.605 -1.891 1.00 40.51 C ATOM 696 CD1 TYR A 48 48.978 -24.786 -0.635 1.00 21.34 C ATOM 697 CD2 TYR A 48 50.460 -25.496 -2.339 1.00 63.43 C ATOM 698 CE1 TYR A 48 49.393 -25.799 0.164 1.00 2.02 C ATOM 699 CE2 TYR A 48 50.881 -26.533 -1.531 1.00 12.51 C ATOM 700 CZ TYR A 48 50.333 -26.670 -0.272 1.00 2.34 C ATOM 701 OH TYR A 48 50.718 -27.691 0.563 1.00 72.12 O ATOM 0 H TYR A 48 47.728 -24.076 -5.319 1.00 21.32 H new ATOM 0 HA TYR A 48 46.943 -24.099 -2.502 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.665 -23.353 -3.596 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.026 -22.554 -2.173 1.00 30.34 H new ATOM 0 HD1 TYR A 48 48.223 -24.105 -0.272 1.00 21.34 H new ATOM 0 HD2 TYR A 48 50.885 -25.377 -3.325 1.00 63.43 H new ATOM 0 HE1 TYR A 48 48.972 -25.912 1.152 1.00 2.02 H new ATOM 0 HE2 TYR A 48 51.630 -27.228 -1.880 1.00 12.51 H new ATOM 0 HH TYR A 48 51.047 -27.317 1.407 1.00 72.12 H new ATOM 711 N THR A 49 46.639 -21.497 -2.739 1.00 4.35 N ATOM 712 CA THR A 49 46.179 -20.184 -3.068 1.00 1.34 C ATOM 713 C THR A 49 47.363 -19.239 -3.011 1.00 15.00 C ATOM 714 O THR A 49 48.463 -19.649 -2.616 1.00 52.25 O ATOM 715 CB THR A 49 45.122 -19.694 -2.053 1.00 51.02 C ATOM 716 OG1 THR A 49 45.706 -19.633 -0.742 1.00 64.22 O ATOM 717 CG2 THR A 49 43.918 -20.616 -2.028 1.00 61.52 C ATOM 0 H THR A 49 46.647 -21.713 -1.742 1.00 4.35 H new ATOM 0 HA THR A 49 45.729 -20.208 -4.061 1.00 1.34 H new ATOM 0 HB THR A 49 44.789 -18.702 -2.359 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.035 -19.320 -0.099 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.191 -20.246 -1.305 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.462 -20.646 -3.018 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.234 -21.620 -1.744 1.00 61.52 H new ATOM 725 N MET A 50 47.123 -17.987 -3.366 1.00 21.14 N ATOM 726 CA MET A 50 48.109 -16.895 -3.286 1.00 1.43 C ATOM 727 C MET A 50 48.769 -16.906 -1.904 1.00 72.53 C ATOM 728 O MET A 50 49.986 -16.943 -1.780 1.00 74.21 O ATOM 729 CB MET A 50 47.343 -15.562 -3.482 1.00 22.31 C ATOM 730 CG MET A 50 48.132 -14.237 -3.392 1.00 4.50 C ATOM 731 SD MET A 50 49.061 -13.773 -4.888 1.00 33.11 S ATOM 732 CE MET A 50 50.534 -14.774 -4.766 1.00 73.31 C ATOM 0 H MET A 50 46.219 -17.684 -3.728 1.00 21.14 H new ATOM 0 HA MET A 50 48.881 -17.013 -4.046 1.00 1.43 H new ATOM 0 HB2 MET A 50 46.864 -15.596 -4.460 1.00 22.31 H new ATOM 0 HB3 MET A 50 46.547 -15.525 -2.738 1.00 22.31 H new ATOM 0 HG2 MET A 50 47.434 -13.434 -3.156 1.00 4.50 H new ATOM 0 HG3 MET A 50 48.831 -14.307 -2.559 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.312 -14.356 -5.404 1.00 73.31 H new ATOM 0 HE2 MET A 50 50.880 -14.787 -3.733 1.00 73.31 H new ATOM 0 HE3 MET A 50 50.310 -15.791 -5.086 1.00 73.31 H new ATOM 742 N LYS A 51 47.936 -16.988 -0.890 1.00 14.32 N ATOM 743 CA LYS A 51 48.354 -16.906 0.500 1.00 64.44 C ATOM 744 C LYS A 51 49.057 -18.165 0.964 1.00 30.11 C ATOM 745 O LYS A 51 49.947 -18.106 1.802 1.00 14.04 O ATOM 746 CB LYS A 51 47.143 -16.649 1.375 1.00 41.10 C ATOM 747 CG LYS A 51 46.426 -15.348 1.041 1.00 73.21 C ATOM 748 CD LYS A 51 45.375 -14.992 2.077 1.00 42.42 C ATOM 749 CE LYS A 51 44.682 -13.682 1.721 1.00 70.32 C ATOM 750 NZ LYS A 51 43.834 -13.191 2.821 1.00 25.31 N ATOM 0 H LYS A 51 46.931 -17.116 -1.006 1.00 14.32 H new ATOM 0 HA LYS A 51 49.066 -16.085 0.583 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.444 -17.479 1.269 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.456 -16.626 2.419 1.00 41.10 H new ATOM 0 HG2 LYS A 51 47.155 -14.540 0.972 1.00 73.21 H new ATOM 0 HG3 LYS A 51 45.954 -15.436 0.062 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.638 -15.792 2.142 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.841 -14.907 3.059 1.00 42.42 H new ATOM 0 HE2 LYS A 51 45.432 -12.929 1.477 1.00 70.32 H new ATOM 0 HE3 LYS A 51 44.072 -13.825 0.829 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 43.316 -12.345 2.509 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 43.156 -13.931 3.094 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 44.431 -12.949 3.638 1.00 25.31 H new ATOM 764 N GLU A 52 48.680 -19.293 0.428 1.00 55.54 N ATOM 765 CA GLU A 52 49.298 -20.526 0.847 1.00 75.23 C ATOM 766 C GLU A 52 50.709 -20.655 0.304 1.00 14.34 C ATOM 767 O GLU A 52 51.569 -21.311 0.915 1.00 34.14 O ATOM 768 CB GLU A 52 48.455 -21.720 0.512 1.00 51.14 C ATOM 769 CG GLU A 52 47.108 -21.730 1.198 1.00 60.21 C ATOM 770 CD GLU A 52 46.329 -22.964 0.880 1.00 40.45 C ATOM 771 OE1 GLU A 52 45.792 -23.074 -0.229 1.00 34.40 O ATOM 772 OE2 GLU A 52 46.258 -23.871 1.736 1.00 4.25 O ATOM 0 H GLU A 52 47.960 -19.387 -0.288 1.00 55.54 H new ATOM 0 HA GLU A 52 49.374 -20.494 1.934 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.303 -21.754 -0.567 1.00 51.14 H new ATOM 0 HB3 GLU A 52 48.998 -22.624 0.786 1.00 51.14 H new ATOM 0 HG2 GLU A 52 47.249 -21.658 2.276 1.00 60.21 H new ATOM 0 HG3 GLU A 52 46.538 -20.852 0.892 1.00 60.21 H new ATOM 779 N VAL A 53 50.960 -20.010 -0.826 1.00 43.32 N ATOM 780 CA VAL A 53 52.305 -19.954 -1.371 1.00 51.12 C ATOM 781 C VAL A 53 53.148 -19.152 -0.430 1.00 21.10 C ATOM 782 O VAL A 53 54.207 -19.578 -0.116 1.00 11.23 O ATOM 783 CB VAL A 53 52.359 -19.347 -2.777 1.00 30.31 C ATOM 784 CG1 VAL A 53 53.747 -19.499 -3.375 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.326 -19.982 -3.658 1.00 10.42 C ATOM 0 H VAL A 53 50.255 -19.522 -1.378 1.00 43.32 H new ATOM 0 HA VAL A 53 52.679 -20.973 -1.470 1.00 51.12 H new ATOM 0 HB VAL A 53 52.140 -18.282 -2.703 1.00 30.31 H new ATOM 0 HG11 VAL A 53 53.763 -19.061 -4.373 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.473 -18.988 -2.743 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.002 -20.557 -3.438 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.376 -19.541 -4.654 1.00 10.42 H new ATOM 0 HG22 VAL A 53 51.515 -21.053 -3.726 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.335 -19.814 -3.236 1.00 10.42 H new ATOM 795 N LEU A 54 52.651 -17.985 0.038 1.00 70.30 N ATOM 796 CA LEU A 54 53.301 -17.240 1.104 1.00 2.43 C ATOM 797 C LEU A 54 53.802 -18.148 2.211 1.00 14.03 C ATOM 798 O LEU A 54 54.971 -18.096 2.563 1.00 21.52 O ATOM 799 CB LEU A 54 52.335 -16.231 1.702 1.00 11.33 C ATOM 800 CG LEU A 54 52.209 -14.895 0.995 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.785 -14.981 -0.444 1.00 70.35 C ATOM 802 CD2 LEU A 54 51.386 -13.913 1.795 1.00 72.44 C ATOM 0 H LEU A 54 51.799 -17.550 -0.316 1.00 70.30 H new ATOM 0 HA LEU A 54 54.157 -16.732 0.660 1.00 2.43 H new ATOM 0 HB2 LEU A 54 51.347 -16.689 1.739 1.00 11.33 H new ATOM 0 HB3 LEU A 54 52.637 -16.042 2.732 1.00 11.33 H new ATOM 0 HG LEU A 54 53.224 -14.502 0.943 1.00 21.01 H new ATOM 0 HD11 LEU A 54 51.722 -13.978 -0.865 1.00 70.35 H new ATOM 0 HD12 LEU A 54 52.515 -15.565 -1.004 1.00 70.35 H new ATOM 0 HD13 LEU A 54 50.809 -15.463 -0.508 1.00 70.35 H new ATOM 0 HD21 LEU A 54 51.320 -12.969 1.255 1.00 72.44 H new ATOM 0 HD22 LEU A 54 50.385 -14.316 1.946 1.00 72.44 H new ATOM 0 HD23 LEU A 54 51.859 -13.745 2.762 1.00 72.44 H new ATOM 814 N PHE A 55 52.952 -19.044 2.674 1.00 3.44 N ATOM 815 CA PHE A 55 53.320 -19.899 3.796 1.00 31.34 C ATOM 816 C PHE A 55 54.495 -20.803 3.442 1.00 34.30 C ATOM 817 O PHE A 55 55.561 -20.710 4.045 1.00 13.01 O ATOM 818 CB PHE A 55 52.136 -20.737 4.302 1.00 43.03 C ATOM 819 CG PHE A 55 50.946 -19.927 4.731 1.00 50.44 C ATOM 820 CD1 PHE A 55 51.103 -18.800 5.523 1.00 13.12 C ATOM 821 CD2 PHE A 55 49.672 -20.297 4.346 1.00 43.53 C ATOM 822 CE1 PHE A 55 50.013 -18.057 5.913 1.00 72.04 C ATOM 823 CE2 PHE A 55 48.574 -19.557 4.734 1.00 44.21 C ATOM 824 CZ PHE A 55 48.745 -18.435 5.518 1.00 42.14 C ATOM 0 H PHE A 55 52.016 -19.201 2.301 1.00 3.44 H new ATOM 0 HA PHE A 55 53.623 -19.235 4.605 1.00 31.34 H new ATOM 0 HB2 PHE A 55 51.828 -21.424 3.513 1.00 43.03 H new ATOM 0 HB3 PHE A 55 52.469 -21.345 5.143 1.00 43.03 H new ATOM 0 HD1 PHE A 55 52.092 -18.502 5.837 1.00 13.12 H new ATOM 0 HD2 PHE A 55 49.534 -21.176 3.734 1.00 43.53 H new ATOM 0 HE1 PHE A 55 50.149 -17.179 6.527 1.00 72.04 H new ATOM 0 HE2 PHE A 55 47.583 -19.855 4.425 1.00 44.21 H new ATOM 0 HZ PHE A 55 47.888 -17.853 5.823 1.00 42.14 H new ATOM 834 N TYR A 56 54.324 -21.614 2.430 1.00 63.30 N ATOM 835 CA TYR A 56 55.336 -22.584 2.071 1.00 1.22 C ATOM 836 C TYR A 56 56.537 -21.981 1.343 1.00 62.54 C ATOM 837 O TYR A 56 57.658 -22.466 1.504 1.00 21.03 O ATOM 838 CB TYR A 56 54.741 -23.747 1.289 1.00 51.34 C ATOM 839 CG TYR A 56 53.818 -24.609 2.110 1.00 64.03 C ATOM 840 CD1 TYR A 56 54.326 -25.610 2.919 1.00 33.42 C ATOM 841 CD2 TYR A 56 52.450 -24.417 2.087 1.00 1.33 C ATOM 842 CE1 TYR A 56 53.497 -26.402 3.686 1.00 32.12 C ATOM 843 CE2 TYR A 56 51.609 -25.200 2.851 1.00 50.53 C ATOM 844 CZ TYR A 56 52.138 -26.193 3.648 1.00 61.21 C ATOM 845 OH TYR A 56 51.299 -26.980 4.416 1.00 44.45 O ATOM 0 H TYR A 56 53.494 -21.625 1.837 1.00 63.30 H new ATOM 0 HA TYR A 56 55.723 -22.967 3.015 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.194 -23.356 0.431 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.550 -24.364 0.897 1.00 51.34 H new ATOM 0 HD1 TYR A 56 55.393 -25.775 2.951 1.00 33.42 H new ATOM 0 HD2 TYR A 56 52.032 -23.642 1.461 1.00 1.33 H new ATOM 0 HE1 TYR A 56 53.911 -27.179 4.311 1.00 32.12 H new ATOM 0 HE2 TYR A 56 50.542 -25.036 2.825 1.00 50.53 H new ATOM 0 HH TYR A 56 50.370 -26.702 4.275 1.00 44.45 H new ATOM 855 N LEU A 57 56.329 -20.917 0.569 1.00 33.41 N ATOM 856 CA LEU A 57 57.427 -20.309 -0.156 1.00 40.31 C ATOM 857 C LEU A 57 58.391 -19.712 0.858 1.00 40.54 C ATOM 858 O LEU A 57 59.611 -19.869 0.756 1.00 5.14 O ATOM 859 CB LEU A 57 56.931 -19.236 -1.165 1.00 53.03 C ATOM 860 CG LEU A 57 57.815 -18.954 -2.411 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.115 -18.006 -3.364 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.164 -18.383 -2.051 1.00 3.30 C ATOM 0 H LEU A 57 55.423 -20.469 0.433 1.00 33.41 H new ATOM 0 HA LEU A 57 57.935 -21.069 -0.749 1.00 40.31 H new ATOM 0 HB2 LEU A 57 55.943 -19.536 -1.515 1.00 53.03 H new ATOM 0 HB3 LEU A 57 56.806 -18.298 -0.623 1.00 53.03 H new ATOM 0 HG LEU A 57 57.975 -19.918 -2.894 1.00 24.54 H new ATOM 0 HD11 LEU A 57 57.753 -17.823 -4.229 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.175 -18.449 -3.693 1.00 53.32 H new ATOM 0 HD13 LEU A 57 56.913 -17.063 -2.856 1.00 53.32 H new ATOM 0 HD21 LEU A 57 59.739 -18.206 -2.960 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.030 -17.442 -1.517 1.00 3.30 H new ATOM 0 HD23 LEU A 57 59.699 -19.088 -1.415 1.00 3.30 H new ATOM 874 N GLY A 58 57.811 -19.106 1.880 1.00 34.05 N ATOM 875 CA GLY A 58 58.575 -18.487 2.934 1.00 74.30 C ATOM 876 C GLY A 58 59.394 -19.483 3.698 1.00 10.41 C ATOM 877 O GLY A 58 60.518 -19.180 4.094 1.00 32.52 O ATOM 0 H GLY A 58 56.800 -19.033 1.997 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.232 -17.729 2.507 1.00 74.30 H new ATOM 0 HA3 GLY A 58 57.899 -17.974 3.618 1.00 74.30 H new ATOM 881 N GLN A 59 58.849 -20.688 3.879 1.00 63.23 N ATOM 882 CA GLN A 59 59.553 -21.755 4.584 1.00 64.13 C ATOM 883 C GLN A 59 60.845 -22.065 3.872 1.00 12.12 C ATOM 884 O GLN A 59 61.895 -22.122 4.481 1.00 60.00 O ATOM 885 CB GLN A 59 58.716 -23.040 4.644 1.00 61.45 C ATOM 886 CG GLN A 59 57.332 -22.859 5.196 1.00 71.21 C ATOM 887 CD GLN A 59 57.314 -22.231 6.561 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.222 -22.422 7.384 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.322 -21.437 6.791 1.00 73.55 N ATOM 0 H GLN A 59 57.921 -20.947 3.545 1.00 63.23 H new ATOM 0 HA GLN A 59 59.742 -21.409 5.600 1.00 64.13 H new ATOM 0 HB2 GLN A 59 58.641 -23.456 3.639 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.243 -23.773 5.254 1.00 61.45 H new ATOM 0 HG2 GLN A 59 56.753 -22.239 4.511 1.00 71.21 H new ATOM 0 HG3 GLN A 59 56.837 -23.829 5.243 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.597 -21.309 6.085 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.264 -20.937 7.678 1.00 73.55 H new ATOM 898 N TYR A 60 60.752 -22.192 2.563 1.00 52.35 N ATOM 899 CA TYR A 60 61.870 -22.570 1.715 1.00 12.25 C ATOM 900 C TYR A 60 63.003 -21.550 1.787 1.00 54.12 C ATOM 901 O TYR A 60 64.173 -21.913 1.950 1.00 53.15 O ATOM 902 CB TYR A 60 61.379 -22.737 0.283 1.00 33.44 C ATOM 903 CG TYR A 60 62.403 -23.277 -0.677 1.00 22.14 C ATOM 904 CD1 TYR A 60 62.750 -24.621 -0.660 1.00 3.25 C ATOM 905 CD2 TYR A 60 62.993 -22.456 -1.630 1.00 22.44 C ATOM 906 CE1 TYR A 60 63.653 -25.133 -1.563 1.00 41.23 C ATOM 907 CE2 TYR A 60 63.903 -22.962 -2.531 1.00 63.13 C ATOM 908 CZ TYR A 60 64.226 -24.301 -2.495 1.00 64.01 C ATOM 909 OH TYR A 60 65.110 -24.810 -3.407 1.00 62.05 O ATOM 0 H TYR A 60 59.885 -22.034 2.049 1.00 52.35 H new ATOM 0 HA TYR A 60 62.274 -23.517 2.073 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.517 -23.404 0.285 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.033 -21.770 -0.083 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.304 -25.275 0.074 1.00 3.25 H new ATOM 0 HD2 TYR A 60 62.735 -21.408 -1.665 1.00 22.44 H new ATOM 0 HE1 TYR A 60 63.910 -26.182 -1.540 1.00 41.23 H new ATOM 0 HE2 TYR A 60 64.361 -22.313 -3.262 1.00 63.13 H new ATOM 0 HH TYR A 60 65.684 -24.090 -3.743 1.00 62.05 H new ATOM 919 N ILE A 61 62.644 -20.286 1.732 1.00 22.33 N ATOM 920 CA ILE A 61 63.618 -19.202 1.748 1.00 54.32 C ATOM 921 C ILE A 61 64.278 -19.167 3.115 1.00 22.41 C ATOM 922 O ILE A 61 65.492 -18.978 3.249 1.00 45.34 O ATOM 923 CB ILE A 61 62.927 -17.829 1.534 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.026 -17.840 0.310 1.00 3.12 C ATOM 925 CG2 ILE A 61 63.964 -16.713 1.375 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.282 -16.535 0.108 1.00 12.42 C ATOM 0 H ILE A 61 61.674 -19.975 1.675 1.00 22.33 H new ATOM 0 HA ILE A 61 64.339 -19.376 0.950 1.00 54.32 H new ATOM 0 HB ILE A 61 62.319 -17.642 2.419 1.00 71.30 H new ATOM 0 HG12 ILE A 61 62.627 -18.049 -0.575 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.305 -18.652 0.404 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.454 -15.761 1.226 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.580 -16.658 2.272 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.597 -16.924 0.513 1.00 71.24 H new ATOM 0 HD11 ILE A 61 60.656 -16.607 -0.782 1.00 12.42 H new ATOM 0 HD12 ILE A 61 60.655 -16.335 0.977 1.00 12.42 H new ATOM 0 HD13 ILE A 61 61.999 -15.723 -0.017 1.00 12.42 H new ATOM 938 N MET A 62 63.470 -19.393 4.110 1.00 72.44 N ATOM 939 CA MET A 62 63.873 -19.308 5.486 1.00 41.23 C ATOM 940 C MET A 62 64.763 -20.476 5.886 1.00 61.21 C ATOM 941 O MET A 62 65.841 -20.284 6.437 1.00 12.42 O ATOM 942 CB MET A 62 62.641 -19.313 6.353 1.00 32.32 C ATOM 943 CG MET A 62 62.870 -19.021 7.817 1.00 13.52 C ATOM 944 SD MET A 62 61.404 -19.394 8.815 1.00 44.31 S ATOM 945 CE MET A 62 60.151 -18.392 8.001 1.00 63.31 C ATOM 0 H MET A 62 62.490 -19.647 3.986 1.00 72.44 H new ATOM 0 HA MET A 62 64.442 -18.388 5.619 1.00 41.23 H new ATOM 0 HB2 MET A 62 61.939 -18.577 5.960 1.00 32.32 H new ATOM 0 HB3 MET A 62 62.162 -20.288 6.266 1.00 32.32 H new ATOM 0 HG2 MET A 62 63.714 -19.609 8.177 1.00 13.52 H new ATOM 0 HG3 MET A 62 63.137 -17.971 7.941 1.00 13.52 H new ATOM 0 HE1 MET A 62 59.239 -18.395 8.598 1.00 63.31 H new ATOM 0 HE2 MET A 62 60.514 -17.369 7.897 1.00 63.31 H new ATOM 0 HE3 MET A 62 59.940 -18.804 7.014 1.00 63.31 H new ATOM 955 N THR A 63 64.315 -21.673 5.583 1.00 24.30 N ATOM 956 CA THR A 63 64.994 -22.897 5.987 1.00 13.21 C ATOM 957 C THR A 63 66.381 -23.004 5.343 1.00 64.20 C ATOM 958 O THR A 63 67.321 -23.474 5.961 1.00 74.44 O ATOM 959 CB THR A 63 64.115 -24.177 5.687 1.00 32.20 C ATOM 960 OG1 THR A 63 64.679 -25.357 6.289 1.00 73.21 O ATOM 961 CG2 THR A 63 63.956 -24.428 4.190 1.00 71.34 C ATOM 0 H THR A 63 63.463 -21.833 5.045 1.00 24.30 H new ATOM 0 HA THR A 63 65.137 -22.850 7.067 1.00 13.21 H new ATOM 0 HB THR A 63 63.136 -23.974 6.120 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.112 -26.130 6.087 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.345 -25.317 4.033 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.472 -23.568 3.726 1.00 71.34 H new ATOM 0 HG23 THR A 63 64.937 -24.578 3.740 1.00 71.34 H new ATOM 969 N LYS A 64 66.507 -22.492 4.138 1.00 74.50 N ATOM 970 CA LYS A 64 67.760 -22.554 3.407 1.00 35.22 C ATOM 971 C LYS A 64 68.600 -21.348 3.676 1.00 24.12 C ATOM 972 O LYS A 64 69.787 -21.322 3.343 1.00 50.03 O ATOM 973 CB LYS A 64 67.479 -22.631 1.930 1.00 41.22 C ATOM 974 CG LYS A 64 66.789 -23.886 1.502 1.00 22.42 C ATOM 975 CD LYS A 64 67.686 -25.091 1.690 1.00 13.51 C ATOM 976 CE LYS A 64 67.005 -26.379 1.289 1.00 12.10 C ATOM 977 NZ LYS A 64 67.896 -27.539 1.494 1.00 42.24 N ATOM 0 H LYS A 64 65.751 -22.024 3.638 1.00 74.50 H new ATOM 0 HA LYS A 64 68.301 -23.441 3.737 1.00 35.22 H new ATOM 0 HB2 LYS A 64 66.866 -21.777 1.643 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.420 -22.544 1.387 1.00 41.22 H new ATOM 0 HG2 LYS A 64 65.873 -24.016 2.079 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.497 -23.806 0.455 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.593 -24.962 1.099 1.00 13.51 H new ATOM 0 HD3 LYS A 64 67.992 -25.154 2.734 1.00 13.51 H new ATOM 0 HE2 LYS A 64 66.094 -26.509 1.873 1.00 12.10 H new ATOM 0 HE3 LYS A 64 66.708 -26.326 0.242 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 67.403 -28.410 1.211 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 68.754 -27.424 0.918 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 68.159 -27.601 2.498 1.00 42.24 H new ATOM 991 N ARG A 65 67.968 -20.340 4.255 1.00 62.41 N ATOM 992 CA ARG A 65 68.621 -19.056 4.544 1.00 10.24 C ATOM 993 C ARG A 65 68.980 -18.374 3.247 1.00 55.32 C ATOM 994 O ARG A 65 70.123 -17.987 3.007 1.00 33.21 O ATOM 995 CB ARG A 65 69.876 -19.172 5.449 1.00 10.13 C ATOM 996 CG ARG A 65 69.642 -19.288 6.952 1.00 12.01 C ATOM 997 CD ARG A 65 68.897 -20.534 7.355 1.00 0.21 C ATOM 998 NE ARG A 65 68.847 -20.657 8.812 1.00 35.32 N ATOM 999 CZ ARG A 65 67.809 -21.083 9.521 1.00 62.31 C ATOM 1000 NH1 ARG A 65 66.627 -21.250 8.945 1.00 53.35 N ATOM 1001 NH2 ARG A 65 67.942 -21.278 10.823 1.00 23.34 N ATOM 0 H ARG A 65 66.990 -20.380 4.541 1.00 62.41 H new ATOM 0 HA ARG A 65 67.902 -18.463 5.109 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.445 -20.044 5.127 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.503 -18.298 5.271 1.00 10.13 H new ATOM 0 HG2 ARG A 65 70.605 -19.270 7.463 1.00 12.01 H new ATOM 0 HG3 ARG A 65 69.084 -18.416 7.292 1.00 12.01 H new ATOM 0 HD2 ARG A 65 67.884 -20.505 6.952 1.00 0.21 H new ATOM 0 HD3 ARG A 65 69.385 -21.410 6.927 1.00 0.21 H new ATOM 0 HE ARG A 65 69.685 -20.392 9.329 1.00 35.32 H new ATOM 0 HH11 ARG A 65 66.511 -21.051 7.951 1.00 53.35 H new ATOM 0 HH12 ARG A 65 65.833 -21.578 9.495 1.00 53.35 H new ATOM 0 HH21 ARG A 65 68.838 -21.101 11.276 1.00 23.34 H new ATOM 0 HH22 ARG A 65 67.148 -21.605 11.373 1.00 23.34 H new ATOM 1015 N LEU A 66 68.001 -18.248 2.394 1.00 53.51 N ATOM 1016 CA LEU A 66 68.199 -17.609 1.121 1.00 71.15 C ATOM 1017 C LEU A 66 68.006 -16.110 1.262 1.00 32.04 C ATOM 1018 O LEU A 66 68.134 -15.359 0.293 1.00 73.22 O ATOM 1019 CB LEU A 66 67.258 -18.194 0.058 1.00 33.23 C ATOM 1020 CG LEU A 66 67.427 -19.683 -0.244 1.00 74.22 C ATOM 1021 CD1 LEU A 66 66.362 -20.155 -1.216 1.00 34.12 C ATOM 1022 CD2 LEU A 66 68.818 -19.972 -0.803 1.00 42.44 C ATOM 0 H LEU A 66 67.051 -18.582 2.559 1.00 53.51 H new ATOM 0 HA LEU A 66 69.220 -17.798 0.789 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.230 -18.023 0.379 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.399 -17.638 -0.869 1.00 33.23 H new ATOM 0 HG LEU A 66 67.313 -20.231 0.692 1.00 74.22 H new ATOM 0 HD11 LEU A 66 66.499 -21.217 -1.418 1.00 34.12 H new ATOM 0 HD12 LEU A 66 65.375 -19.993 -0.782 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.445 -19.595 -2.147 1.00 34.12 H new ATOM 0 HD21 LEU A 66 68.913 -21.038 -1.010 1.00 42.44 H new ATOM 0 HD22 LEU A 66 68.964 -19.409 -1.725 1.00 42.44 H new ATOM 0 HD23 LEU A 66 69.572 -19.675 -0.074 1.00 42.44 H new ATOM 1034 N TYR A 67 67.700 -15.685 2.468 1.00 50.33 N ATOM 1035 CA TYR A 67 67.536 -14.292 2.765 1.00 63.44 C ATOM 1036 C TYR A 67 68.791 -13.790 3.459 1.00 41.21 C ATOM 1037 O TYR A 67 69.681 -14.590 3.767 1.00 0.14 O ATOM 1038 CB TYR A 67 66.266 -14.021 3.601 1.00 32.51 C ATOM 1039 CG TYR A 67 66.282 -14.592 5.007 1.00 55.05 C ATOM 1040 CD1 TYR A 67 65.930 -15.913 5.253 1.00 24.21 C ATOM 1041 CD2 TYR A 67 66.644 -13.797 6.089 1.00 64.31 C ATOM 1042 CE1 TYR A 67 65.943 -16.423 6.541 1.00 3.00 C ATOM 1043 CE2 TYR A 67 66.659 -14.301 7.375 1.00 44.51 C ATOM 1044 CZ TYR A 67 66.309 -15.614 7.593 1.00 62.24 C ATOM 1045 OH TYR A 67 66.311 -16.123 8.874 1.00 52.04 O ATOM 0 H TYR A 67 67.559 -16.303 3.267 1.00 50.33 H new ATOM 0 HA TYR A 67 67.397 -13.743 1.833 1.00 63.44 H new ATOM 0 HB2 TYR A 67 66.117 -12.943 3.666 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.407 -14.431 3.070 1.00 32.51 H new ATOM 0 HD1 TYR A 67 65.643 -16.550 4.430 1.00 24.21 H new ATOM 0 HD2 TYR A 67 66.919 -12.766 5.921 1.00 64.31 H new ATOM 0 HE1 TYR A 67 65.667 -17.452 6.719 1.00 3.00 H new ATOM 0 HE2 TYR A 67 66.943 -13.669 8.203 1.00 44.51 H new ATOM 0 HH TYR A 67 66.594 -15.426 9.502 1.00 52.04 H new ATOM 1055 N ASP A 68 68.866 -12.506 3.707 1.00 63.44 N ATOM 1056 CA ASP A 68 70.053 -11.921 4.304 1.00 21.32 C ATOM 1057 C ASP A 68 70.066 -12.088 5.795 1.00 52.35 C ATOM 1058 O ASP A 68 69.049 -11.928 6.462 1.00 13.34 O ATOM 1059 CB ASP A 68 70.180 -10.448 3.977 1.00 1.00 C ATOM 1060 CG ASP A 68 71.483 -9.882 4.477 1.00 51.10 C ATOM 1061 OD1 ASP A 68 72.548 -10.412 4.146 1.00 24.12 O ATOM 1062 OD2 ASP A 68 71.463 -8.946 5.259 1.00 62.33 O ATOM 0 H ASP A 68 68.120 -11.840 3.506 1.00 63.44 H new ATOM 0 HA ASP A 68 70.900 -12.457 3.876 1.00 21.32 H new ATOM 0 HB2 ASP A 68 70.111 -10.306 2.898 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.349 -9.902 4.424 1.00 1.00 H new ATOM 1067 N GLU A 69 71.221 -12.383 6.314 1.00 63.22 N ATOM 1068 CA GLU A 69 71.403 -12.576 7.721 1.00 62.14 C ATOM 1069 C GLU A 69 71.286 -11.262 8.502 1.00 64.00 C ATOM 1070 O GLU A 69 70.864 -11.273 9.670 1.00 30.11 O ATOM 1071 CB GLU A 69 72.745 -13.263 8.002 1.00 42.41 C ATOM 1072 CG GLU A 69 73.935 -12.586 7.346 1.00 61.33 C ATOM 1073 CD GLU A 69 75.246 -13.202 7.739 1.00 74.11 C ATOM 1074 OE1 GLU A 69 75.683 -14.175 7.107 1.00 24.54 O ATOM 1075 OE2 GLU A 69 75.891 -12.702 8.679 1.00 52.31 O ATOM 0 H GLU A 69 72.073 -12.498 5.765 1.00 63.22 H new ATOM 0 HA GLU A 69 70.600 -13.226 8.068 1.00 62.14 H new ATOM 0 HB2 GLU A 69 72.907 -13.295 9.079 1.00 42.41 H new ATOM 0 HB3 GLU A 69 72.692 -14.296 7.657 1.00 42.41 H new ATOM 0 HG2 GLU A 69 73.825 -12.638 6.263 1.00 61.33 H new ATOM 0 HG3 GLU A 69 73.940 -11.530 7.615 1.00 61.33 H new ATOM 1082 N LYS A 70 71.615 -10.130 7.866 1.00 21.31 N ATOM 1083 CA LYS A 70 71.607 -8.856 8.577 1.00 43.13 C ATOM 1084 C LYS A 70 70.272 -8.159 8.350 1.00 3.23 C ATOM 1085 O LYS A 70 69.764 -7.456 9.221 1.00 14.52 O ATOM 1086 CB LYS A 70 72.653 -7.906 7.987 1.00 51.11 C ATOM 1087 CG LYS A 70 73.934 -8.520 7.442 1.00 5.05 C ATOM 1088 CD LYS A 70 74.842 -9.098 8.501 1.00 31.00 C ATOM 1089 CE LYS A 70 76.163 -9.526 7.872 1.00 65.43 C ATOM 1090 NZ LYS A 70 77.015 -10.274 8.806 1.00 33.03 N ATOM 0 H LYS A 70 71.883 -10.074 6.884 1.00 21.31 H new ATOM 0 HA LYS A 70 71.800 -9.067 9.629 1.00 43.13 H new ATOM 0 HB2 LYS A 70 72.180 -7.344 7.181 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.927 -7.187 8.759 1.00 51.11 H new ATOM 0 HG2 LYS A 70 73.674 -9.306 6.733 1.00 5.05 H new ATOM 0 HG3 LYS A 70 74.481 -7.758 6.886 1.00 5.05 H new ATOM 0 HD2 LYS A 70 75.023 -8.358 9.281 1.00 31.00 H new ATOM 0 HD3 LYS A 70 74.362 -9.953 8.978 1.00 31.00 H new ATOM 0 HE2 LYS A 70 75.962 -10.142 6.996 1.00 65.43 H new ATOM 0 HE3 LYS A 70 76.699 -8.643 7.524 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 78.014 -10.137 8.550 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 76.855 -9.929 9.774 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 76.780 -11.286 8.756 1.00 33.03 H new ATOM 1104 N GLN A 71 69.702 -8.374 7.190 1.00 50.03 N ATOM 1105 CA GLN A 71 68.454 -7.747 6.804 1.00 5.34 C ATOM 1106 C GLN A 71 67.458 -8.793 6.384 1.00 62.15 C ATOM 1107 O GLN A 71 67.566 -9.361 5.312 1.00 64.52 O ATOM 1108 CB GLN A 71 68.690 -6.775 5.647 1.00 3.32 C ATOM 1109 CG GLN A 71 69.608 -5.610 5.968 1.00 21.51 C ATOM 1110 CD GLN A 71 69.853 -4.742 4.760 1.00 43.20 C ATOM 1111 OE1 GLN A 71 70.807 -4.945 4.009 1.00 23.33 O ATOM 1112 NE2 GLN A 71 68.989 -3.800 4.539 1.00 3.50 N ATOM 0 H GLN A 71 70.091 -8.993 6.479 1.00 50.03 H new ATOM 0 HA GLN A 71 68.061 -7.199 7.660 1.00 5.34 H new ATOM 0 HB2 GLN A 71 69.109 -7.328 4.807 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.728 -6.381 5.321 1.00 3.32 H new ATOM 0 HG2 GLN A 71 69.168 -5.009 6.764 1.00 21.51 H new ATOM 0 HG3 GLN A 71 70.559 -5.989 6.342 1.00 21.51 H new ATOM 0 HE21 GLN A 71 68.210 -3.661 5.183 1.00 3.50 H new ATOM 0 HE22 GLN A 71 69.088 -3.199 3.721 1.00 3.50 H new ATOM 1121 N GLN A 72 66.459 -9.009 7.196 1.00 33.03 N ATOM 1122 CA GLN A 72 65.518 -10.082 6.941 1.00 64.41 C ATOM 1123 C GLN A 72 64.541 -9.730 5.815 1.00 73.12 C ATOM 1124 O GLN A 72 64.000 -10.603 5.163 1.00 1.14 O ATOM 1125 CB GLN A 72 64.811 -10.480 8.224 1.00 2.34 C ATOM 1126 CG GLN A 72 65.795 -10.769 9.356 1.00 64.34 C ATOM 1127 CD GLN A 72 65.159 -11.416 10.552 1.00 20.23 C ATOM 1128 OE1 GLN A 72 64.215 -12.171 10.432 1.00 21.44 O ATOM 1129 NE2 GLN A 72 65.658 -11.116 11.713 1.00 52.04 N ATOM 0 H GLN A 72 66.270 -8.463 8.037 1.00 33.03 H new ATOM 0 HA GLN A 72 66.076 -10.950 6.590 1.00 64.41 H new ATOM 0 HB2 GLN A 72 64.134 -9.681 8.527 1.00 2.34 H new ATOM 0 HB3 GLN A 72 64.199 -11.364 8.041 1.00 2.34 H new ATOM 0 HG2 GLN A 72 66.588 -11.417 8.981 1.00 64.34 H new ATOM 0 HG3 GLN A 72 66.265 -9.836 9.665 1.00 64.34 H new ATOM 0 HE21 GLN A 72 66.451 -10.478 11.778 1.00 52.04 H new ATOM 0 HE22 GLN A 72 65.257 -11.518 12.560 1.00 52.04 H new ATOM 1138 N HIS A 73 64.314 -8.432 5.595 1.00 20.12 N ATOM 1139 CA HIS A 73 63.472 -7.969 4.471 1.00 23.35 C ATOM 1140 C HIS A 73 64.172 -8.147 3.110 1.00 72.14 C ATOM 1141 O HIS A 73 63.573 -7.894 2.062 1.00 10.11 O ATOM 1142 CB HIS A 73 63.061 -6.481 4.642 1.00 41.31 C ATOM 1143 CG HIS A 73 64.192 -5.473 4.516 1.00 54.10 C ATOM 1144 ND1 HIS A 73 64.232 -4.480 3.552 1.00 32.14 N ATOM 1145 CD2 HIS A 73 65.313 -5.308 5.255 1.00 65.33 C ATOM 1146 CE1 HIS A 73 65.322 -3.765 3.703 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.997 -4.248 4.734 1.00 73.14 N ATOM 0 H HIS A 73 64.695 -7.682 6.172 1.00 20.12 H new ATOM 0 HA HIS A 73 62.578 -8.592 4.486 1.00 23.35 H new ATOM 0 HB2 HIS A 73 62.301 -6.244 3.897 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.597 -6.360 5.621 1.00 41.31 H new ATOM 0 HD1 HIS A 73 63.523 -4.328 2.835 1.00 32.14 H new ATOM 0 HD2 HIS A 73 65.612 -5.906 6.103 1.00 65.33 H new ATOM 0 HE1 HIS A 73 65.618 -2.926 3.091 1.00 3.33 H new ATOM 1155 N ILE A 74 65.420 -8.563 3.146 1.00 50.14 N ATOM 1156 CA ILE A 74 66.221 -8.727 1.954 1.00 22.31 C ATOM 1157 C ILE A 74 66.424 -10.189 1.681 1.00 55.40 C ATOM 1158 O ILE A 74 66.941 -10.923 2.520 1.00 73.00 O ATOM 1159 CB ILE A 74 67.610 -8.018 2.070 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.434 -6.502 2.182 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.529 -8.362 0.890 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.706 -5.889 1.006 1.00 73.44 C ATOM 0 H ILE A 74 65.910 -8.798 4.009 1.00 50.14 H new ATOM 0 HA ILE A 74 65.682 -8.259 1.130 1.00 22.31 H new ATOM 0 HB ILE A 74 68.087 -8.387 2.978 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.886 -6.275 3.096 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.415 -6.036 2.274 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.483 -7.849 1.010 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.697 -9.439 0.862 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.060 -8.043 -0.041 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.618 -4.813 1.154 1.00 73.44 H new ATOM 0 HD12 ILE A 74 67.264 -6.085 0.090 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.711 -6.327 0.925 1.00 73.44 H new ATOM 1174 N VAL A 75 65.998 -10.620 0.537 1.00 45.43 N ATOM 1175 CA VAL A 75 66.167 -11.974 0.162 1.00 24.42 C ATOM 1176 C VAL A 75 67.074 -12.035 -1.048 1.00 52.54 C ATOM 1177 O VAL A 75 66.904 -11.263 -1.961 1.00 42.31 O ATOM 1178 CB VAL A 75 64.827 -12.667 -0.155 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.057 -14.120 -0.368 1.00 1.24 C ATOM 1180 CG2 VAL A 75 63.812 -12.448 0.952 1.00 11.12 C ATOM 0 H VAL A 75 65.526 -10.040 -0.157 1.00 45.43 H new ATOM 0 HA VAL A 75 66.610 -12.505 1.004 1.00 24.42 H new ATOM 0 HB VAL A 75 64.419 -12.226 -1.065 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.109 -14.609 -0.592 1.00 1.24 H new ATOM 0 HG12 VAL A 75 65.744 -14.261 -1.202 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.486 -14.556 0.534 1.00 1.24 H new ATOM 0 HG21 VAL A 75 62.879 -12.950 0.695 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.199 -12.856 1.886 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.628 -11.380 1.071 1.00 11.12 H new ATOM 1190 N TYR A 76 68.040 -12.916 -1.049 1.00 5.33 N ATOM 1191 CA TYR A 76 68.938 -13.021 -2.178 1.00 2.23 C ATOM 1192 C TYR A 76 68.527 -14.147 -3.094 1.00 20.23 C ATOM 1193 O TYR A 76 68.111 -13.912 -4.235 1.00 22.13 O ATOM 1194 CB TYR A 76 70.396 -13.194 -1.735 1.00 71.42 C ATOM 1195 CG TYR A 76 70.954 -12.000 -1.009 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.278 -10.844 -1.699 1.00 72.11 C ATOM 1197 CD2 TYR A 76 71.146 -12.017 0.354 1.00 34.51 C ATOM 1198 CE1 TYR A 76 71.774 -9.741 -1.050 1.00 3.12 C ATOM 1199 CE2 TYR A 76 71.644 -10.915 1.007 1.00 53.13 C ATOM 1200 CZ TYR A 76 71.953 -9.782 0.300 1.00 44.23 C ATOM 1201 OH TYR A 76 72.448 -8.682 0.950 1.00 11.02 O ATOM 0 H TYR A 76 68.228 -13.569 -0.288 1.00 5.33 H new ATOM 0 HA TYR A 76 68.870 -12.083 -2.729 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.468 -14.068 -1.088 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.011 -13.395 -2.612 1.00 71.42 H new ATOM 0 HD1 TYR A 76 71.138 -10.810 -2.769 1.00 72.11 H new ATOM 0 HD2 TYR A 76 70.903 -12.906 0.916 1.00 34.51 H new ATOM 0 HE1 TYR A 76 72.020 -8.848 -1.605 1.00 3.12 H new ATOM 0 HE2 TYR A 76 71.792 -10.942 2.077 1.00 53.13 H new ATOM 0 HH TYR A 76 72.515 -8.872 1.909 1.00 11.02 H new ATOM 1211 N CYS A 77 68.635 -15.376 -2.577 1.00 54.53 N ATOM 1212 CA CYS A 77 68.337 -16.596 -3.333 1.00 52.14 C ATOM 1213 C CYS A 77 69.242 -16.713 -4.541 1.00 4.33 C ATOM 1214 O CYS A 77 68.903 -17.376 -5.520 1.00 62.20 O ATOM 1215 CB CYS A 77 66.873 -16.639 -3.754 1.00 61.41 C ATOM 1216 SG CYS A 77 65.744 -16.605 -2.378 1.00 54.33 S ATOM 0 H CYS A 77 68.933 -15.552 -1.618 1.00 54.53 H new ATOM 0 HA CYS A 77 68.524 -17.448 -2.679 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.665 -15.791 -4.407 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.696 -17.542 -4.338 1.00 61.41 H new ATOM 0 HG CYS A 77 65.373 -17.817 -2.091 1.00 54.33 H new ATOM 1222 N SER A 78 70.431 -16.147 -4.422 1.00 74.53 N ATOM 1223 CA SER A 78 71.402 -16.130 -5.481 1.00 1.24 C ATOM 1224 C SER A 78 71.993 -17.534 -5.618 1.00 20.30 C ATOM 1225 O SER A 78 72.538 -17.909 -6.649 1.00 21.43 O ATOM 1226 CB SER A 78 72.490 -15.123 -5.114 1.00 41.00 C ATOM 1227 OG SER A 78 71.910 -13.890 -4.657 1.00 62.31 O ATOM 0 H SER A 78 70.745 -15.682 -3.570 1.00 74.53 H new ATOM 0 HA SER A 78 70.950 -15.841 -6.430 1.00 1.24 H new ATOM 0 HB2 SER A 78 73.130 -15.539 -4.336 1.00 41.00 H new ATOM 0 HB3 SER A 78 73.124 -14.933 -5.980 1.00 41.00 H new ATOM 0 HG SER A 78 71.290 -13.549 -5.335 1.00 62.31 H new ATOM 1233 N ASN A 79 71.828 -18.306 -4.556 1.00 41.54 N ATOM 1234 CA ASN A 79 72.291 -19.676 -4.491 1.00 73.42 C ATOM 1235 C ASN A 79 71.160 -20.642 -4.806 1.00 0.00 C ATOM 1236 O ASN A 79 71.279 -21.844 -4.572 1.00 53.23 O ATOM 1237 CB ASN A 79 72.860 -19.985 -3.096 1.00 72.51 C ATOM 1238 CG ASN A 79 74.119 -19.205 -2.781 1.00 60.42 C ATOM 1239 OD1 ASN A 79 74.063 -18.075 -2.276 1.00 34.51 O ATOM 1240 ND2 ASN A 79 75.258 -19.783 -3.065 1.00 12.14 N ATOM 0 H ASN A 79 71.362 -17.991 -3.705 1.00 41.54 H new ATOM 0 HA ASN A 79 73.078 -19.801 -5.234 1.00 73.42 H new ATOM 0 HB2 ASN A 79 72.103 -19.761 -2.344 1.00 72.51 H new ATOM 0 HB3 ASN A 79 73.074 -21.052 -3.025 1.00 72.51 H new ATOM 0 HD21 ASN A 79 76.136 -19.302 -2.871 1.00 12.14 H new ATOM 0 HD22 ASN A 79 75.268 -20.715 -3.480 1.00 12.14 H new ATOM 1247 N ASP A 80 70.067 -20.127 -5.338 1.00 63.10 N ATOM 1248 CA ASP A 80 68.924 -20.964 -5.690 1.00 44.31 C ATOM 1249 C ASP A 80 68.362 -20.454 -7.021 1.00 54.24 C ATOM 1250 O ASP A 80 68.931 -19.535 -7.624 1.00 62.42 O ATOM 1251 CB ASP A 80 67.839 -20.928 -4.578 1.00 54.35 C ATOM 1252 CG ASP A 80 66.847 -22.113 -4.640 1.00 4.01 C ATOM 1253 OD1 ASP A 80 65.928 -22.125 -5.518 1.00 51.55 O ATOM 1254 OD2 ASP A 80 66.981 -23.056 -3.834 1.00 31.11 O ATOM 0 H ASP A 80 69.942 -19.135 -5.538 1.00 63.10 H new ATOM 0 HA ASP A 80 69.239 -22.003 -5.788 1.00 44.31 H new ATOM 0 HB2 ASP A 80 68.329 -20.926 -3.604 1.00 54.35 H new ATOM 0 HB3 ASP A 80 67.282 -19.994 -4.656 1.00 54.35 H new ATOM 1259 N LEU A 81 67.279 -21.011 -7.459 1.00 71.31 N ATOM 1260 CA LEU A 81 66.677 -20.696 -8.733 1.00 11.32 C ATOM 1261 C LEU A 81 65.623 -19.581 -8.546 1.00 12.11 C ATOM 1262 O LEU A 81 65.396 -18.788 -9.444 1.00 75.03 O ATOM 1263 CB LEU A 81 66.072 -22.023 -9.301 1.00 25.11 C ATOM 1264 CG LEU A 81 65.557 -22.087 -10.766 1.00 40.03 C ATOM 1265 CD1 LEU A 81 64.279 -21.322 -10.967 1.00 43.44 C ATOM 1266 CD2 LEU A 81 66.621 -21.618 -11.742 1.00 21.25 C ATOM 0 H LEU A 81 66.767 -21.719 -6.932 1.00 71.31 H new ATOM 0 HA LEU A 81 67.404 -20.311 -9.448 1.00 11.32 H new ATOM 0 HB2 LEU A 81 66.832 -22.796 -9.192 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.240 -22.301 -8.654 1.00 25.11 H new ATOM 0 HG LEU A 81 65.335 -23.135 -10.968 1.00 40.03 H new ATOM 0 HD11 LEU A 81 63.967 -21.402 -12.008 1.00 43.44 H new ATOM 0 HD12 LEU A 81 63.503 -21.735 -10.323 1.00 43.44 H new ATOM 0 HD13 LEU A 81 64.439 -20.273 -10.716 1.00 43.44 H new ATOM 0 HD21 LEU A 81 66.232 -21.674 -12.759 1.00 21.25 H new ATOM 0 HD22 LEU A 81 66.895 -20.588 -11.514 1.00 21.25 H new ATOM 0 HD23 LEU A 81 67.501 -22.255 -11.655 1.00 21.25 H new ATOM 1278 N LEU A 82 65.049 -19.514 -7.340 1.00 22.23 N ATOM 1279 CA LEU A 82 63.962 -18.577 -6.974 1.00 31.14 C ATOM 1280 C LEU A 82 64.185 -17.113 -7.453 1.00 51.53 C ATOM 1281 O LEU A 82 63.424 -16.594 -8.303 1.00 75.13 O ATOM 1282 CB LEU A 82 63.749 -18.635 -5.446 1.00 51.31 C ATOM 1283 CG LEU A 82 62.832 -17.574 -4.831 1.00 44.45 C ATOM 1284 CD1 LEU A 82 61.432 -17.622 -5.426 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.786 -17.710 -3.316 1.00 64.25 C ATOM 0 H LEU A 82 65.328 -20.120 -6.568 1.00 22.23 H new ATOM 0 HA LEU A 82 63.066 -18.905 -7.501 1.00 31.14 H new ATOM 0 HB2 LEU A 82 63.346 -19.617 -5.197 1.00 51.31 H new ATOM 0 HB3 LEU A 82 64.724 -18.560 -4.965 1.00 51.31 H new ATOM 0 HG LEU A 82 63.253 -16.598 -5.074 1.00 44.45 H new ATOM 0 HD11 LEU A 82 60.813 -16.854 -4.963 1.00 51.52 H new ATOM 0 HD12 LEU A 82 61.487 -17.445 -6.500 1.00 51.52 H new ATOM 0 HD13 LEU A 82 60.992 -18.602 -5.242 1.00 51.52 H new ATOM 0 HD21 LEU A 82 62.128 -16.946 -2.902 1.00 64.25 H new ATOM 0 HD22 LEU A 82 62.407 -18.697 -3.051 1.00 64.25 H new ATOM 0 HD23 LEU A 82 63.789 -17.585 -2.909 1.00 64.25 H new ATOM 1297 N GLY A 83 65.215 -16.472 -6.930 1.00 33.33 N ATOM 1298 CA GLY A 83 65.466 -15.086 -7.276 1.00 13.41 C ATOM 1299 C GLY A 83 65.826 -14.931 -8.731 1.00 23.02 C ATOM 1300 O GLY A 83 65.341 -14.001 -9.415 1.00 63.21 O ATOM 0 H GLY A 83 65.881 -16.881 -6.275 1.00 33.33 H new ATOM 0 HA2 GLY A 83 64.581 -14.490 -7.055 1.00 13.41 H new ATOM 0 HA3 GLY A 83 66.275 -14.697 -6.658 1.00 13.41 H new ATOM 1304 N ASP A 84 66.621 -15.882 -9.225 1.00 74.23 N ATOM 1305 CA ASP A 84 67.083 -15.889 -10.619 1.00 72.30 C ATOM 1306 C ASP A 84 65.896 -15.750 -11.525 1.00 60.45 C ATOM 1307 O ASP A 84 65.828 -14.814 -12.289 1.00 21.25 O ATOM 1308 CB ASP A 84 67.818 -17.204 -10.952 1.00 32.43 C ATOM 1309 CG ASP A 84 68.403 -17.229 -12.352 1.00 23.04 C ATOM 1310 OD1 ASP A 84 67.674 -17.521 -13.323 1.00 12.11 O ATOM 1311 OD2 ASP A 84 69.623 -16.973 -12.507 1.00 34.12 O ATOM 0 H ASP A 84 66.963 -16.669 -8.673 1.00 74.23 H new ATOM 0 HA ASP A 84 67.775 -15.059 -10.761 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.619 -17.357 -10.229 1.00 32.43 H new ATOM 0 HB3 ASP A 84 67.124 -18.038 -10.841 1.00 32.43 H new ATOM 1316 N LEU A 85 64.920 -16.621 -11.268 1.00 51.32 N ATOM 1317 CA LEU A 85 63.674 -16.817 -11.981 1.00 55.15 C ATOM 1318 C LEU A 85 62.864 -15.552 -12.140 1.00 45.10 C ATOM 1319 O LEU A 85 62.274 -15.311 -13.196 1.00 62.02 O ATOM 1320 CB LEU A 85 62.904 -17.802 -11.160 1.00 35.13 C ATOM 1321 CG LEU A 85 61.660 -18.381 -11.734 1.00 61.13 C ATOM 1322 CD1 LEU A 85 61.941 -19.067 -13.068 1.00 14.13 C ATOM 1323 CD2 LEU A 85 61.055 -19.347 -10.730 1.00 34.22 C ATOM 0 H LEU A 85 64.997 -17.264 -10.480 1.00 51.32 H new ATOM 0 HA LEU A 85 63.881 -17.158 -12.995 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.573 -18.627 -10.917 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.642 -17.317 -10.220 1.00 35.13 H new ATOM 0 HG LEU A 85 60.946 -17.582 -11.932 1.00 61.13 H new ATOM 0 HD11 LEU A 85 61.015 -19.482 -13.466 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.346 -18.340 -13.773 1.00 14.13 H new ATOM 0 HD13 LEU A 85 62.664 -19.869 -12.919 1.00 14.13 H new ATOM 0 HD21 LEU A 85 60.142 -19.776 -11.143 1.00 34.22 H new ATOM 0 HD22 LEU A 85 61.767 -20.144 -10.518 1.00 34.22 H new ATOM 0 HD23 LEU A 85 60.821 -18.814 -9.808 1.00 34.22 H new ATOM 1335 N PHE A 86 62.799 -14.755 -11.085 1.00 13.22 N ATOM 1336 CA PHE A 86 62.080 -13.477 -11.157 1.00 14.21 C ATOM 1337 C PHE A 86 62.839 -12.533 -12.070 1.00 25.43 C ATOM 1338 O PHE A 86 62.301 -11.559 -12.633 1.00 74.23 O ATOM 1339 CB PHE A 86 61.989 -12.868 -9.789 1.00 60.11 C ATOM 1340 CG PHE A 86 61.001 -11.729 -9.700 1.00 12.33 C ATOM 1341 CD1 PHE A 86 59.705 -11.882 -10.168 1.00 61.20 C ATOM 1342 CD2 PHE A 86 61.376 -10.503 -9.176 1.00 60.04 C ATOM 1343 CE1 PHE A 86 58.803 -10.841 -10.108 1.00 21.42 C ATOM 1344 CE2 PHE A 86 60.476 -9.457 -9.115 1.00 63.23 C ATOM 1345 CZ PHE A 86 59.188 -9.631 -9.583 1.00 2.54 C ATOM 0 H PHE A 86 63.225 -14.958 -10.181 1.00 13.22 H new ATOM 0 HA PHE A 86 61.076 -13.648 -11.545 1.00 14.21 H new ATOM 0 HB2 PHE A 86 61.706 -13.641 -9.074 1.00 60.11 H new ATOM 0 HB3 PHE A 86 62.975 -12.507 -9.494 1.00 60.11 H new ATOM 0 HD1 PHE A 86 59.398 -12.830 -10.585 1.00 61.20 H new ATOM 0 HD2 PHE A 86 62.383 -10.363 -8.811 1.00 60.04 H new ATOM 0 HE1 PHE A 86 57.796 -10.976 -10.473 1.00 21.42 H new ATOM 0 HE2 PHE A 86 60.778 -8.506 -8.703 1.00 63.23 H new ATOM 0 HZ PHE A 86 58.482 -8.815 -9.536 1.00 2.54 H new ATOM 1355 N GLY A 87 64.066 -12.841 -12.198 1.00 24.41 N ATOM 1356 CA GLY A 87 64.966 -12.109 -13.043 1.00 31.24 C ATOM 1357 C GLY A 87 65.762 -11.180 -12.233 1.00 3.13 C ATOM 1358 O GLY A 87 66.063 -10.057 -12.657 1.00 20.13 O ATOM 0 H GLY A 87 64.501 -13.626 -11.713 1.00 24.41 H new ATOM 0 HA2 GLY A 87 65.623 -12.798 -13.574 1.00 31.24 H new ATOM 0 HA3 GLY A 87 64.404 -11.559 -13.798 1.00 31.24 H new ATOM 1362 N VAL A 88 66.114 -11.626 -11.055 1.00 0.24 N ATOM 1363 CA VAL A 88 66.808 -10.746 -10.121 1.00 65.43 C ATOM 1364 C VAL A 88 67.953 -11.433 -9.387 1.00 62.04 C ATOM 1365 O VAL A 88 68.002 -12.667 -9.301 1.00 2.43 O ATOM 1366 CB VAL A 88 65.847 -10.103 -9.067 1.00 34.42 C ATOM 1367 CG1 VAL A 88 64.846 -9.152 -9.699 1.00 53.13 C ATOM 1368 CG2 VAL A 88 65.137 -11.154 -8.232 1.00 52.45 C ATOM 0 H VAL A 88 65.941 -12.572 -10.714 1.00 0.24 H new ATOM 0 HA VAL A 88 67.222 -9.959 -10.751 1.00 65.43 H new ATOM 0 HB VAL A 88 66.479 -9.515 -8.401 1.00 34.42 H new ATOM 0 HG11 VAL A 88 64.203 -8.733 -8.925 1.00 53.13 H new ATOM 0 HG12 VAL A 88 65.379 -8.346 -10.204 1.00 53.13 H new ATOM 0 HG13 VAL A 88 64.237 -9.693 -10.423 1.00 53.13 H new ATOM 0 HG21 VAL A 88 64.480 -10.665 -7.513 1.00 52.45 H new ATOM 0 HG22 VAL A 88 64.546 -11.798 -8.883 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.874 -11.755 -7.699 1.00 52.45 H new ATOM 1378 N PRO A 89 68.928 -10.652 -8.880 1.00 11.32 N ATOM 1379 CA PRO A 89 69.993 -11.182 -8.044 1.00 74.43 C ATOM 1380 C PRO A 89 69.503 -11.343 -6.604 1.00 61.01 C ATOM 1381 O PRO A 89 70.040 -12.144 -5.837 1.00 1.24 O ATOM 1382 CB PRO A 89 71.098 -10.101 -8.109 1.00 25.13 C ATOM 1383 CG PRO A 89 70.605 -9.066 -9.076 1.00 40.51 C ATOM 1384 CD PRO A 89 69.115 -9.209 -9.122 1.00 22.11 C ATOM 0 HA PRO A 89 70.339 -12.161 -8.376 1.00 74.43 H new ATOM 0 HB2 PRO A 89 71.275 -9.664 -7.126 1.00 25.13 H new ATOM 0 HB3 PRO A 89 72.043 -10.529 -8.443 1.00 25.13 H new ATOM 0 HG2 PRO A 89 70.890 -8.065 -8.752 1.00 40.51 H new ATOM 0 HG3 PRO A 89 71.041 -9.218 -10.064 1.00 40.51 H new ATOM 0 HD2 PRO A 89 68.625 -8.602 -8.360 1.00 22.11 H new ATOM 0 HD3 PRO A 89 68.707 -8.902 -10.085 1.00 22.11 H new ATOM 1392 N SER A 90 68.445 -10.600 -6.272 1.00 72.45 N ATOM 1393 CA SER A 90 67.856 -10.577 -4.957 1.00 0.12 C ATOM 1394 C SER A 90 66.514 -9.849 -5.010 1.00 72.25 C ATOM 1395 O SER A 90 66.248 -9.139 -5.978 1.00 42.34 O ATOM 1396 CB SER A 90 68.823 -9.897 -3.990 1.00 14.22 C ATOM 1397 OG SER A 90 69.315 -8.672 -4.517 1.00 32.43 O ATOM 0 H SER A 90 67.972 -9.987 -6.936 1.00 72.45 H new ATOM 0 HA SER A 90 67.673 -11.592 -4.605 1.00 0.12 H new ATOM 0 HB2 SER A 90 68.319 -9.709 -3.042 1.00 14.22 H new ATOM 0 HB3 SER A 90 69.658 -10.565 -3.780 1.00 14.22 H new ATOM 0 HG SER A 90 69.929 -8.262 -3.873 1.00 32.43 H new ATOM 1403 N PHE A 91 65.695 -10.004 -3.986 1.00 22.52 N ATOM 1404 CA PHE A 91 64.385 -9.397 -3.952 1.00 23.10 C ATOM 1405 C PHE A 91 64.034 -8.922 -2.547 1.00 42.12 C ATOM 1406 O PHE A 91 64.566 -9.433 -1.558 1.00 74.32 O ATOM 1407 CB PHE A 91 63.288 -10.339 -4.531 1.00 64.21 C ATOM 1408 CG PHE A 91 63.022 -11.664 -3.804 1.00 51.33 C ATOM 1409 CD1 PHE A 91 63.749 -12.817 -4.097 1.00 4.31 C ATOM 1410 CD2 PHE A 91 61.987 -11.768 -2.880 1.00 11.25 C ATOM 1411 CE1 PHE A 91 63.446 -14.013 -3.492 1.00 61.22 C ATOM 1412 CE2 PHE A 91 61.698 -12.963 -2.271 1.00 2.33 C ATOM 1413 CZ PHE A 91 62.420 -14.084 -2.578 1.00 72.40 C ATOM 0 H PHE A 91 65.922 -10.554 -3.158 1.00 22.52 H new ATOM 0 HA PHE A 91 64.419 -8.520 -4.599 1.00 23.10 H new ATOM 0 HB2 PHE A 91 62.352 -9.782 -4.563 1.00 64.21 H new ATOM 0 HB3 PHE A 91 63.557 -10.571 -5.562 1.00 64.21 H new ATOM 0 HD1 PHE A 91 64.560 -12.770 -4.808 1.00 4.31 H new ATOM 0 HD2 PHE A 91 61.401 -10.893 -2.638 1.00 11.25 H new ATOM 0 HE1 PHE A 91 64.014 -14.899 -3.734 1.00 61.22 H new ATOM 0 HE2 PHE A 91 60.898 -13.019 -1.547 1.00 2.33 H new ATOM 0 HZ PHE A 91 62.184 -15.025 -2.103 1.00 72.40 H new ATOM 1423 N SER A 92 63.183 -7.933 -2.464 1.00 13.21 N ATOM 1424 CA SER A 92 62.761 -7.400 -1.199 1.00 63.42 C ATOM 1425 C SER A 92 61.358 -7.860 -0.898 1.00 12.35 C ATOM 1426 O SER A 92 60.483 -7.832 -1.775 1.00 65.40 O ATOM 1427 CB SER A 92 62.826 -5.865 -1.199 1.00 64.34 C ATOM 1428 OG SER A 92 62.396 -5.328 0.055 1.00 72.34 O ATOM 0 H SER A 92 62.764 -7.475 -3.273 1.00 13.21 H new ATOM 0 HA SER A 92 63.436 -7.766 -0.426 1.00 63.42 H new ATOM 0 HB2 SER A 92 63.846 -5.542 -1.405 1.00 64.34 H new ATOM 0 HB3 SER A 92 62.199 -5.472 -2.000 1.00 64.34 H new ATOM 0 HG SER A 92 62.449 -4.350 0.027 1.00 72.34 H new ATOM 1434 N VAL A 93 61.132 -8.266 0.334 1.00 15.21 N ATOM 1435 CA VAL A 93 59.827 -8.734 0.754 1.00 44.32 C ATOM 1436 C VAL A 93 58.793 -7.598 0.821 1.00 70.53 C ATOM 1437 O VAL A 93 57.595 -7.852 0.868 1.00 62.34 O ATOM 1438 CB VAL A 93 59.883 -9.469 2.110 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.865 -10.610 2.055 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.236 -8.522 3.235 1.00 71.25 C ATOM 0 H VAL A 93 61.841 -8.281 1.067 1.00 15.21 H new ATOM 0 HA VAL A 93 59.507 -9.442 -0.010 1.00 44.32 H new ATOM 0 HB VAL A 93 58.890 -9.872 2.310 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.890 -11.115 3.020 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.559 -11.316 1.283 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.858 -10.225 1.821 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.267 -9.071 4.176 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.212 -8.076 3.042 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.484 -7.736 3.298 1.00 71.25 H new ATOM 1450 N LYS A 94 59.255 -6.337 0.822 1.00 25.30 N ATOM 1451 CA LYS A 94 58.319 -5.219 0.864 1.00 34.12 C ATOM 1452 C LYS A 94 57.690 -4.949 -0.465 1.00 43.13 C ATOM 1453 O LYS A 94 56.658 -4.269 -0.544 1.00 62.22 O ATOM 1454 CB LYS A 94 58.879 -3.935 1.469 1.00 44.32 C ATOM 1455 CG LYS A 94 58.783 -3.871 2.977 1.00 11.41 C ATOM 1456 CD LYS A 94 59.774 -4.773 3.667 1.00 61.24 C ATOM 1457 CE LYS A 94 59.467 -4.868 5.148 1.00 64.21 C ATOM 1458 NZ LYS A 94 59.222 -3.536 5.751 1.00 40.32 N ATOM 0 H LYS A 94 60.241 -6.078 0.795 1.00 25.30 H new ATOM 0 HA LYS A 94 57.543 -5.556 1.552 1.00 34.12 H new ATOM 0 HB2 LYS A 94 59.924 -3.834 1.177 1.00 44.32 H new ATOM 0 HB3 LYS A 94 58.346 -3.084 1.045 1.00 44.32 H new ATOM 0 HG2 LYS A 94 58.946 -2.844 3.303 1.00 11.41 H new ATOM 0 HG3 LYS A 94 57.774 -4.146 3.284 1.00 11.41 H new ATOM 0 HD2 LYS A 94 59.743 -5.766 3.219 1.00 61.24 H new ATOM 0 HD3 LYS A 94 60.784 -4.390 3.523 1.00 61.24 H new ATOM 0 HE2 LYS A 94 58.591 -5.500 5.297 1.00 64.21 H new ATOM 0 HE3 LYS A 94 60.299 -5.350 5.661 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 59.252 -3.613 6.788 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 59.955 -2.871 5.433 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 58.287 -3.188 5.456 1.00 40.32 H new ATOM 1472 N GLU A 95 58.262 -5.497 -1.502 1.00 41.22 N ATOM 1473 CA GLU A 95 57.685 -5.387 -2.799 1.00 25.25 C ATOM 1474 C GLU A 95 56.665 -6.477 -2.946 1.00 44.21 C ATOM 1475 O GLU A 95 56.881 -7.494 -3.590 1.00 11.24 O ATOM 1476 CB GLU A 95 58.701 -5.513 -3.860 1.00 62.12 C ATOM 1477 CG GLU A 95 59.623 -4.321 -4.032 1.00 1.24 C ATOM 1478 CD GLU A 95 58.894 -3.117 -4.587 1.00 20.02 C ATOM 1479 OE1 GLU A 95 58.731 -3.021 -5.836 1.00 30.24 O ATOM 1480 OE2 GLU A 95 58.482 -2.240 -3.808 1.00 35.23 O ATOM 0 H GLU A 95 59.133 -6.026 -1.466 1.00 41.22 H new ATOM 0 HA GLU A 95 57.227 -4.403 -2.902 1.00 25.25 H new ATOM 0 HB2 GLU A 95 59.310 -6.393 -3.652 1.00 62.12 H new ATOM 0 HB3 GLU A 95 58.191 -5.694 -4.806 1.00 62.12 H new ATOM 0 HG2 GLU A 95 60.067 -4.064 -3.070 1.00 1.24 H new ATOM 0 HG3 GLU A 95 60.442 -4.589 -4.700 1.00 1.24 H new ATOM 1487 N HIS A 96 55.586 -6.241 -2.319 1.00 61.03 N ATOM 1488 CA HIS A 96 54.482 -7.189 -2.173 1.00 22.11 C ATOM 1489 C HIS A 96 53.920 -7.559 -3.516 1.00 24.20 C ATOM 1490 O HIS A 96 53.648 -8.729 -3.779 1.00 4.12 O ATOM 1491 CB HIS A 96 53.348 -6.635 -1.288 1.00 0.11 C ATOM 1492 CG HIS A 96 53.746 -6.214 0.102 1.00 4.44 C ATOM 1493 ND1 HIS A 96 53.120 -5.191 0.789 1.00 0.33 N ATOM 1494 CD2 HIS A 96 54.694 -6.692 0.940 1.00 64.43 C ATOM 1495 CE1 HIS A 96 53.663 -5.056 1.977 1.00 53.21 C ATOM 1496 NE2 HIS A 96 54.626 -5.957 2.103 1.00 71.43 N ATOM 0 H HIS A 96 55.406 -5.348 -1.859 1.00 61.03 H new ATOM 0 HA HIS A 96 54.894 -8.073 -1.686 1.00 22.11 H new ATOM 0 HB2 HIS A 96 52.904 -5.777 -1.794 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.571 -7.395 -1.208 1.00 0.11 H new ATOM 0 HD2 HIS A 96 55.379 -7.502 0.735 1.00 64.43 H new ATOM 0 HE1 HIS A 96 53.373 -4.333 2.725 1.00 53.21 H new ATOM 0 HE2 HIS A 96 55.218 -6.085 2.924 1.00 71.43 H new ATOM 1504 N ARG A 97 53.782 -6.570 -4.387 1.00 61.45 N ATOM 1505 CA ARG A 97 53.252 -6.826 -5.709 1.00 2.00 C ATOM 1506 C ARG A 97 54.236 -7.629 -6.526 1.00 60.51 C ATOM 1507 O ARG A 97 53.834 -8.410 -7.374 1.00 63.44 O ATOM 1508 CB ARG A 97 52.863 -5.556 -6.458 1.00 25.22 C ATOM 1509 CG ARG A 97 51.828 -4.693 -5.772 1.00 31.52 C ATOM 1510 CD ARG A 97 51.383 -3.586 -6.703 1.00 61.22 C ATOM 1511 NE ARG A 97 50.423 -2.673 -6.087 1.00 52.14 N ATOM 1512 CZ ARG A 97 49.104 -2.664 -6.335 1.00 35.43 C ATOM 1513 NH1 ARG A 97 48.531 -3.689 -6.966 1.00 32.04 N ATOM 1514 NH2 ARG A 97 48.356 -1.648 -5.913 1.00 50.15 N ATOM 0 H ARG A 97 54.027 -5.597 -4.202 1.00 61.45 H new ATOM 0 HA ARG A 97 52.336 -7.400 -5.567 1.00 2.00 H new ATOM 0 HB2 ARG A 97 53.761 -4.959 -6.619 1.00 25.22 H new ATOM 0 HB3 ARG A 97 52.485 -5.835 -7.442 1.00 25.22 H new ATOM 0 HG2 ARG A 97 50.972 -5.300 -5.479 1.00 31.52 H new ATOM 0 HG3 ARG A 97 52.244 -4.267 -4.859 1.00 31.52 H new ATOM 0 HD2 ARG A 97 52.256 -3.021 -7.029 1.00 61.22 H new ATOM 0 HD3 ARG A 97 50.937 -4.026 -7.595 1.00 61.22 H new ATOM 0 HE ARG A 97 50.782 -1.991 -5.418 1.00 52.14 H new ATOM 0 HH11 ARG A 97 49.095 -4.485 -7.263 1.00 32.04 H new ATOM 0 HH12 ARG A 97 47.528 -3.677 -7.152 1.00 32.04 H new ATOM 0 HH21 ARG A 97 48.785 -0.877 -5.402 1.00 50.15 H new ATOM 0 HH22 ARG A 97 47.354 -1.640 -6.101 1.00 50.15 H new ATOM 1528 N LYS A 98 55.532 -7.459 -6.246 1.00 3.30 N ATOM 1529 CA LYS A 98 56.555 -8.232 -6.939 1.00 1.24 C ATOM 1530 C LYS A 98 56.483 -9.660 -6.490 1.00 33.20 C ATOM 1531 O LYS A 98 56.747 -10.556 -7.254 1.00 63.32 O ATOM 1532 CB LYS A 98 57.969 -7.707 -6.688 1.00 62.12 C ATOM 1533 CG LYS A 98 58.244 -6.290 -7.157 1.00 4.31 C ATOM 1534 CD LYS A 98 58.027 -6.102 -8.643 1.00 4.22 C ATOM 1535 CE LYS A 98 58.428 -4.702 -9.078 1.00 21.35 C ATOM 1536 NZ LYS A 98 57.745 -3.647 -8.291 1.00 63.10 N ATOM 0 H LYS A 98 55.889 -6.801 -5.553 1.00 3.30 H new ATOM 0 HA LYS A 98 56.356 -8.142 -8.007 1.00 1.24 H new ATOM 0 HB2 LYS A 98 58.171 -7.760 -5.618 1.00 62.12 H new ATOM 0 HB3 LYS A 98 58.676 -8.375 -7.179 1.00 62.12 H new ATOM 0 HG2 LYS A 98 57.598 -5.602 -6.612 1.00 4.31 H new ATOM 0 HG3 LYS A 98 59.272 -6.025 -6.910 1.00 4.31 H new ATOM 0 HD2 LYS A 98 58.609 -6.839 -9.196 1.00 4.22 H new ATOM 0 HD3 LYS A 98 56.979 -6.276 -8.886 1.00 4.22 H new ATOM 0 HE2 LYS A 98 59.507 -4.588 -8.974 1.00 21.35 H new ATOM 0 HE3 LYS A 98 58.194 -4.572 -10.135 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 57.531 -2.838 -8.908 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 56.860 -4.026 -7.897 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 58.364 -3.337 -7.515 1.00 63.10 H new ATOM 1550 N ILE A 99 56.116 -9.858 -5.234 1.00 54.20 N ATOM 1551 CA ILE A 99 55.965 -11.189 -4.683 1.00 3.41 C ATOM 1552 C ILE A 99 54.801 -11.876 -5.385 1.00 32.52 C ATOM 1553 O ILE A 99 54.911 -13.019 -5.817 1.00 34.24 O ATOM 1554 CB ILE A 99 55.677 -11.173 -3.152 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.681 -10.289 -2.380 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.668 -12.590 -2.588 1.00 53.21 C ATOM 1557 CD1 ILE A 99 58.143 -10.624 -2.582 1.00 13.25 C ATOM 0 H ILE A 99 55.917 -9.105 -4.575 1.00 54.20 H new ATOM 0 HA ILE A 99 56.904 -11.720 -4.840 1.00 3.41 H new ATOM 0 HB ILE A 99 54.688 -10.735 -3.017 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.522 -9.251 -2.672 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.455 -10.359 -1.316 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.465 -12.554 -1.518 1.00 53.21 H new ATOM 0 HG22 ILE A 99 54.894 -13.174 -3.085 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.639 -13.055 -2.758 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.757 -9.942 -1.994 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.329 -11.649 -2.260 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.397 -10.523 -3.637 1.00 13.25 H new ATOM 1569 N TYR A 100 53.695 -11.150 -5.526 1.00 43.11 N ATOM 1570 CA TYR A 100 52.505 -11.681 -6.192 1.00 15.13 C ATOM 1571 C TYR A 100 52.826 -12.061 -7.619 1.00 34.44 C ATOM 1572 O TYR A 100 52.506 -13.164 -8.059 1.00 3.54 O ATOM 1573 CB TYR A 100 51.339 -10.682 -6.203 1.00 21.14 C ATOM 1574 CG TYR A 100 50.951 -10.134 -4.855 1.00 60.15 C ATOM 1575 CD1 TYR A 100 51.026 -10.911 -3.705 1.00 74.45 C ATOM 1576 CD2 TYR A 100 50.538 -8.821 -4.730 1.00 64.34 C ATOM 1577 CE1 TYR A 100 50.695 -10.394 -2.479 1.00 71.11 C ATOM 1578 CE2 TYR A 100 50.208 -8.293 -3.510 1.00 62.13 C ATOM 1579 CZ TYR A 100 50.287 -9.076 -2.386 1.00 51.34 C ATOM 1580 OH TYR A 100 49.954 -8.540 -1.166 1.00 40.22 O ATOM 0 H TYR A 100 53.596 -10.192 -5.189 1.00 43.11 H new ATOM 0 HA TYR A 100 52.199 -12.558 -5.621 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.602 -9.848 -6.854 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.469 -11.169 -6.644 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.350 -11.939 -3.778 1.00 74.45 H new ATOM 0 HD2 TYR A 100 50.474 -8.200 -5.611 1.00 64.34 H new ATOM 0 HE1 TYR A 100 50.752 -11.010 -1.594 1.00 71.11 H new ATOM 0 HE2 TYR A 100 49.887 -7.265 -3.433 1.00 62.13 H new ATOM 0 HH TYR A 100 50.585 -8.857 -0.486 1.00 40.22 H new ATOM 1590 N THR A 101 53.481 -11.164 -8.329 1.00 71.31 N ATOM 1591 CA THR A 101 53.828 -11.398 -9.706 1.00 4.12 C ATOM 1592 C THR A 101 54.875 -12.487 -9.849 1.00 22.22 C ATOM 1593 O THR A 101 54.853 -13.230 -10.797 1.00 14.53 O ATOM 1594 CB THR A 101 54.261 -10.111 -10.442 1.00 52.21 C ATOM 1595 OG1 THR A 101 55.225 -9.390 -9.670 1.00 1.34 O ATOM 1596 CG2 THR A 101 53.071 -9.227 -10.726 1.00 55.24 C ATOM 0 H THR A 101 53.783 -10.260 -7.966 1.00 71.31 H new ATOM 0 HA THR A 101 52.915 -11.746 -10.189 1.00 4.12 H new ATOM 0 HB THR A 101 54.713 -10.405 -11.390 1.00 52.21 H new ATOM 0 HG1 THR A 101 54.771 -8.910 -8.946 1.00 1.34 H new ATOM 0 HG21 THR A 101 53.402 -8.327 -11.245 1.00 55.24 H new ATOM 0 HG22 THR A 101 52.359 -9.765 -11.351 1.00 55.24 H new ATOM 0 HG23 THR A 101 52.592 -8.949 -9.787 1.00 55.24 H new ATOM 1604 N MET A 102 55.747 -12.597 -8.869 1.00 34.35 N ATOM 1605 CA MET A 102 56.811 -13.607 -8.830 1.00 63.42 C ATOM 1606 C MET A 102 56.193 -14.994 -8.830 1.00 13.22 C ATOM 1607 O MET A 102 56.667 -15.915 -9.507 1.00 73.13 O ATOM 1608 CB MET A 102 57.614 -13.396 -7.550 1.00 43.15 C ATOM 1609 CG MET A 102 58.916 -14.149 -7.431 1.00 11.42 C ATOM 1610 SD MET A 102 59.773 -13.747 -5.883 1.00 45.04 S ATOM 1611 CE MET A 102 59.825 -11.936 -5.943 1.00 54.24 C ATOM 0 H MET A 102 55.745 -11.980 -8.057 1.00 34.35 H new ATOM 0 HA MET A 102 57.460 -13.514 -9.701 1.00 63.42 H new ATOM 0 HB2 MET A 102 57.828 -12.331 -7.455 1.00 43.15 H new ATOM 0 HB3 MET A 102 56.984 -13.672 -6.704 1.00 43.15 H new ATOM 0 HG2 MET A 102 58.724 -15.221 -7.474 1.00 11.42 H new ATOM 0 HG3 MET A 102 59.558 -13.906 -8.278 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.692 -11.578 -5.387 1.00 54.24 H new ATOM 0 HE2 MET A 102 59.898 -11.608 -6.980 1.00 54.24 H new ATOM 0 HE3 MET A 102 58.916 -11.531 -5.498 1.00 54.24 H new ATOM 1621 N ILE A 103 55.105 -15.105 -8.115 1.00 3.21 N ATOM 1622 CA ILE A 103 54.383 -16.343 -7.979 1.00 52.20 C ATOM 1623 C ILE A 103 53.476 -16.537 -9.194 1.00 5.52 C ATOM 1624 O ILE A 103 53.456 -17.593 -9.798 1.00 70.30 O ATOM 1625 CB ILE A 103 53.559 -16.330 -6.665 1.00 14.12 C ATOM 1626 CG1 ILE A 103 54.511 -16.136 -5.469 1.00 12.42 C ATOM 1627 CG2 ILE A 103 52.755 -17.621 -6.514 1.00 5.55 C ATOM 1628 CD1 ILE A 103 53.828 -15.876 -4.141 1.00 2.12 C ATOM 0 H ILE A 103 54.689 -14.327 -7.603 1.00 3.21 H new ATOM 0 HA ILE A 103 55.084 -17.177 -7.932 1.00 52.20 H new ATOM 0 HB ILE A 103 52.850 -15.503 -6.697 1.00 14.12 H new ATOM 0 HG12 ILE A 103 55.134 -17.025 -5.372 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.178 -15.302 -5.687 1.00 12.42 H new ATOM 0 HG21 ILE A 103 52.185 -17.588 -5.585 1.00 5.55 H new ATOM 0 HG22 ILE A 103 52.071 -17.724 -7.356 1.00 5.55 H new ATOM 0 HG23 ILE A 103 53.435 -18.473 -6.493 1.00 5.55 H new ATOM 0 HD11 ILE A 103 54.581 -15.753 -3.362 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.228 -14.969 -4.212 1.00 2.12 H new ATOM 0 HD13 ILE A 103 53.183 -16.719 -3.892 1.00 2.12 H new ATOM 1640 N TYR A 104 52.786 -15.474 -9.569 1.00 40.11 N ATOM 1641 CA TYR A 104 51.871 -15.447 -10.714 1.00 44.15 C ATOM 1642 C TYR A 104 52.574 -15.767 -12.041 1.00 13.14 C ATOM 1643 O TYR A 104 52.005 -16.390 -12.930 1.00 40.12 O ATOM 1644 CB TYR A 104 51.123 -14.099 -10.703 1.00 10.23 C ATOM 1645 CG TYR A 104 50.902 -13.415 -12.023 1.00 54.34 C ATOM 1646 CD1 TYR A 104 51.883 -12.596 -12.537 1.00 23.41 C ATOM 1647 CD2 TYR A 104 49.715 -13.549 -12.725 1.00 54.33 C ATOM 1648 CE1 TYR A 104 51.704 -11.927 -13.721 1.00 54.14 C ATOM 1649 CE2 TYR A 104 49.519 -12.874 -13.914 1.00 5.31 C ATOM 1650 CZ TYR A 104 50.521 -12.063 -14.405 1.00 60.51 C ATOM 1651 OH TYR A 104 50.334 -11.379 -15.585 1.00 1.15 O ATOM 0 H TYR A 104 52.843 -14.581 -9.079 1.00 40.11 H new ATOM 0 HA TYR A 104 51.135 -16.246 -10.620 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.149 -14.259 -10.240 1.00 10.23 H new ATOM 0 HB3 TYR A 104 51.674 -13.414 -10.058 1.00 10.23 H new ATOM 0 HD1 TYR A 104 52.811 -12.478 -11.997 1.00 23.41 H new ATOM 0 HD2 TYR A 104 48.935 -14.188 -12.338 1.00 54.33 H new ATOM 0 HE1 TYR A 104 52.489 -11.297 -14.113 1.00 54.14 H new ATOM 0 HE2 TYR A 104 48.590 -12.980 -14.454 1.00 5.31 H new ATOM 0 HH TYR A 104 49.446 -11.584 -15.945 1.00 1.15 H new ATOM 1661 N ARG A 105 53.806 -15.365 -12.136 1.00 53.53 N ATOM 1662 CA ARG A 105 54.663 -15.615 -13.288 1.00 5.51 C ATOM 1663 C ARG A 105 55.045 -17.091 -13.347 1.00 13.24 C ATOM 1664 O ARG A 105 55.356 -17.639 -14.402 1.00 2.23 O ATOM 1665 CB ARG A 105 55.909 -14.751 -13.115 1.00 24.32 C ATOM 1666 CG ARG A 105 56.999 -14.895 -14.138 1.00 13.52 C ATOM 1667 CD ARG A 105 58.107 -13.915 -13.808 1.00 62.13 C ATOM 1668 NE ARG A 105 59.278 -14.046 -14.663 1.00 23.52 N ATOM 1669 CZ ARG A 105 59.976 -13.016 -15.156 1.00 63.44 C ATOM 1670 NH1 ARG A 105 59.504 -11.763 -15.053 1.00 4.40 N ATOM 1671 NH2 ARG A 105 61.123 -13.241 -15.781 1.00 43.11 N ATOM 0 H ARG A 105 54.270 -14.836 -11.398 1.00 53.53 H new ATOM 0 HA ARG A 105 54.149 -15.368 -14.217 1.00 5.51 H new ATOM 0 HB2 ARG A 105 55.596 -13.707 -13.102 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.336 -14.968 -12.136 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.384 -15.915 -14.139 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.608 -14.701 -15.137 1.00 13.52 H new ATOM 0 HD2 ARG A 105 57.719 -12.900 -13.891 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.408 -14.057 -12.770 1.00 62.13 H new ATOM 0 HE ARG A 105 59.588 -14.988 -14.903 1.00 23.52 H new ATOM 0 HH11 ARG A 105 58.608 -11.591 -14.597 1.00 4.40 H new ATOM 0 HH12 ARG A 105 60.041 -10.983 -15.431 1.00 4.40 H new ATOM 0 HH21 ARG A 105 61.469 -14.195 -15.884 1.00 43.11 H new ATOM 0 HH22 ARG A 105 61.660 -12.460 -16.159 1.00 43.11 H new ATOM 1685 N ASN A 106 54.975 -17.734 -12.218 1.00 14.40 N ATOM 1686 CA ASN A 106 55.402 -19.096 -12.110 1.00 75.13 C ATOM 1687 C ASN A 106 54.280 -20.063 -11.838 1.00 64.35 C ATOM 1688 O ASN A 106 54.505 -21.237 -11.524 1.00 43.10 O ATOM 1689 CB ASN A 106 56.563 -19.258 -11.172 1.00 32.11 C ATOM 1690 CG ASN A 106 57.822 -18.666 -11.752 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.507 -19.309 -12.535 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.163 -17.461 -11.356 1.00 61.11 N ATOM 0 H ASN A 106 54.622 -17.330 -11.350 1.00 14.40 H new ATOM 0 HA ASN A 106 55.768 -19.369 -13.100 1.00 75.13 H new ATOM 0 HB2 ASN A 106 56.336 -18.775 -10.222 1.00 32.11 H new ATOM 0 HB3 ASN A 106 56.719 -20.316 -10.962 1.00 32.11 H new ATOM 0 HD21 ASN A 106 59.022 -17.034 -11.703 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.569 -16.952 -10.702 1.00 61.11 H new ATOM 1699 N LEU A 107 53.092 -19.578 -11.923 1.00 34.24 N ATOM 1700 CA LEU A 107 51.936 -20.425 -11.871 1.00 22.31 C ATOM 1701 C LEU A 107 51.280 -20.353 -13.236 1.00 22.33 C ATOM 1702 O LEU A 107 51.576 -19.437 -14.011 1.00 3.21 O ATOM 1703 CB LEU A 107 50.973 -20.010 -10.734 1.00 10.31 C ATOM 1704 CG LEU A 107 50.242 -18.681 -10.874 1.00 32.14 C ATOM 1705 CD1 LEU A 107 48.889 -18.854 -11.526 1.00 53.04 C ATOM 1706 CD2 LEU A 107 50.126 -17.982 -9.542 1.00 33.10 C ATOM 0 H LEU A 107 52.886 -18.585 -12.031 1.00 34.24 H new ATOM 0 HA LEU A 107 52.218 -21.453 -11.643 1.00 22.31 H new ATOM 0 HB2 LEU A 107 50.224 -20.795 -10.626 1.00 10.31 H new ATOM 0 HB3 LEU A 107 51.543 -19.983 -9.805 1.00 10.31 H new ATOM 0 HG LEU A 107 50.837 -18.047 -11.532 1.00 32.14 H new ATOM 0 HD11 LEU A 107 48.398 -17.884 -11.608 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.016 -19.282 -12.520 1.00 53.04 H new ATOM 0 HD13 LEU A 107 48.276 -19.521 -10.920 1.00 53.04 H new ATOM 0 HD21 LEU A 107 49.600 -17.036 -9.672 1.00 33.10 H new ATOM 0 HD22 LEU A 107 49.572 -18.613 -8.847 1.00 33.10 H new ATOM 0 HD23 LEU A 107 51.122 -17.791 -9.143 1.00 33.10 H new ATOM 1718 N VAL A 108 50.440 -21.290 -13.567 1.00 63.11 N ATOM 1719 CA VAL A 108 49.813 -21.237 -14.864 1.00 1.01 C ATOM 1720 C VAL A 108 48.344 -20.911 -14.762 1.00 71.42 C ATOM 1721 O VAL A 108 47.610 -21.493 -13.949 1.00 31.43 O ATOM 1722 CB VAL A 108 50.084 -22.473 -15.787 1.00 35.03 C ATOM 1723 CG1 VAL A 108 51.562 -22.591 -16.108 1.00 45.42 C ATOM 1724 CG2 VAL A 108 49.587 -23.765 -15.183 1.00 72.10 C ATOM 0 H VAL A 108 50.176 -22.081 -12.979 1.00 63.11 H new ATOM 0 HA VAL A 108 50.308 -20.412 -15.376 1.00 1.01 H new ATOM 0 HB VAL A 108 49.525 -22.303 -16.707 1.00 35.03 H new ATOM 0 HG11 VAL A 108 51.727 -23.456 -16.750 1.00 45.42 H new ATOM 0 HG12 VAL A 108 51.896 -21.689 -16.621 1.00 45.42 H new ATOM 0 HG13 VAL A 108 52.127 -22.712 -15.184 1.00 45.42 H new ATOM 0 HG21 VAL A 108 49.800 -24.590 -15.863 1.00 72.10 H new ATOM 0 HG22 VAL A 108 50.090 -23.939 -14.232 1.00 72.10 H new ATOM 0 HG23 VAL A 108 48.512 -23.699 -15.017 1.00 72.10 H new ATOM 1794 N THR B 305 61.315 -9.999 11.905 1.00 33.52 N ATOM 1795 CA THR B 305 61.570 -11.370 11.547 1.00 3.31 C ATOM 1796 C THR B 305 60.891 -11.787 10.248 1.00 54.44 C ATOM 1797 O THR B 305 59.699 -11.474 10.001 1.00 34.54 O ATOM 1798 CB THR B 305 61.282 -12.388 12.693 1.00 43.20 C ATOM 1799 OG1 THR B 305 61.569 -13.718 12.250 1.00 13.01 O ATOM 1800 CG2 THR B 305 59.842 -12.324 13.165 1.00 31.13 C ATOM 0 HA THR B 305 62.645 -11.405 11.372 1.00 3.31 H new ATOM 0 HB THR B 305 61.926 -12.120 13.530 1.00 43.20 H new ATOM 0 HG1 THR B 305 61.408 -14.349 12.983 1.00 13.01 H new ATOM 0 HG21 THR B 305 59.688 -13.050 13.963 1.00 31.13 H new ATOM 0 HG22 THR B 305 59.626 -11.323 13.538 1.00 31.13 H new ATOM 0 HG23 THR B 305 59.176 -12.553 12.333 1.00 31.13 H new ATOM 1808 N PHE B 306 61.670 -12.485 9.421 1.00 23.43 N ATOM 1809 CA PHE B 306 61.243 -13.014 8.147 1.00 31.21 C ATOM 1810 C PHE B 306 60.029 -13.915 8.333 1.00 61.12 C ATOM 1811 O PHE B 306 59.139 -13.971 7.482 1.00 3.43 O ATOM 1812 CB PHE B 306 62.398 -13.770 7.479 1.00 53.41 C ATOM 1813 CG PHE B 306 62.101 -14.216 6.083 1.00 65.10 C ATOM 1814 CD1 PHE B 306 62.089 -13.301 5.044 1.00 73.14 C ATOM 1815 CD2 PHE B 306 61.834 -15.542 5.808 1.00 42.23 C ATOM 1816 CE1 PHE B 306 61.817 -13.697 3.758 1.00 14.34 C ATOM 1817 CE2 PHE B 306 61.560 -15.951 4.526 1.00 4.02 C ATOM 1818 CZ PHE B 306 61.550 -15.026 3.497 1.00 41.22 C ATOM 0 H PHE B 306 62.644 -12.699 9.636 1.00 23.43 H new ATOM 0 HA PHE B 306 60.954 -12.190 7.494 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.280 -13.129 7.466 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.647 -14.642 8.084 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.297 -12.261 5.248 1.00 73.14 H new ATOM 0 HD2 PHE B 306 61.841 -16.266 6.610 1.00 42.23 H new ATOM 0 HE1 PHE B 306 61.812 -12.974 2.956 1.00 14.34 H new ATOM 0 HE2 PHE B 306 61.353 -16.991 4.322 1.00 4.02 H new ATOM 0 HZ PHE B 306 61.333 -15.344 2.488 1.00 41.22 H new ATOM 1828 N GLU B 307 59.972 -14.544 9.495 1.00 22.24 N ATOM 1829 CA GLU B 307 58.893 -15.432 9.873 1.00 73.43 C ATOM 1830 C GLU B 307 57.571 -14.677 9.935 1.00 33.30 C ATOM 1831 O GLU B 307 56.508 -15.238 9.681 1.00 31.35 O ATOM 1832 CB GLU B 307 59.181 -16.017 11.253 1.00 34.14 C ATOM 1833 CG GLU B 307 60.506 -16.753 11.350 1.00 23.45 C ATOM 1834 CD GLU B 307 60.767 -17.328 12.725 1.00 64.23 C ATOM 1835 OE1 GLU B 307 60.272 -18.437 13.026 1.00 13.13 O ATOM 1836 OE2 GLU B 307 61.490 -16.697 13.531 1.00 53.15 O ATOM 0 H GLU B 307 60.690 -14.448 10.213 1.00 22.24 H new ATOM 0 HA GLU B 307 58.821 -16.224 9.127 1.00 73.43 H new ATOM 0 HB2 GLU B 307 59.171 -15.211 11.987 1.00 34.14 H new ATOM 0 HB3 GLU B 307 58.377 -16.702 11.521 1.00 34.14 H new ATOM 0 HG2 GLU B 307 60.521 -17.559 10.617 1.00 23.45 H new ATOM 0 HG3 GLU B 307 61.314 -16.070 11.089 1.00 23.45 H new ATOM 1843 N HIS B 308 57.650 -13.393 10.208 1.00 4.31 N ATOM 1844 CA HIS B 308 56.463 -12.624 10.447 1.00 63.23 C ATOM 1845 C HIS B 308 56.044 -11.849 9.217 1.00 43.42 C ATOM 1846 O HIS B 308 54.917 -11.990 8.749 1.00 4.03 O ATOM 1847 CB HIS B 308 56.677 -11.667 11.631 1.00 63.24 C ATOM 1848 CG HIS B 308 55.440 -10.947 12.098 1.00 24.31 C ATOM 1849 ND1 HIS B 308 54.718 -11.341 13.194 1.00 22.21 N ATOM 1850 CD2 HIS B 308 54.822 -9.844 11.623 1.00 2.42 C ATOM 1851 CE1 HIS B 308 53.714 -10.528 13.385 1.00 61.43 C ATOM 1852 NE2 HIS B 308 53.747 -9.599 12.442 1.00 65.13 N ATOM 0 H HIS B 308 58.522 -12.868 10.268 1.00 4.31 H new ATOM 0 HA HIS B 308 55.661 -13.320 10.691 1.00 63.23 H new ATOM 0 HB2 HIS B 308 57.087 -12.233 12.467 1.00 63.24 H new ATOM 0 HB3 HIS B 308 57.426 -10.927 11.350 1.00 63.24 H new ATOM 0 HD2 HIS B 308 55.118 -9.264 10.761 1.00 2.42 H new ATOM 0 HE1 HIS B 308 52.982 -10.601 14.176 1.00 61.43 H new ATOM 0 HE2 HIS B 308 53.085 -8.830 12.341 1.00 65.13 H new ATOM 1860 N LEU B 309 56.946 -11.058 8.686 1.00 64.14 N ATOM 1861 CA LEU B 309 56.580 -10.106 7.625 1.00 52.01 C ATOM 1862 C LEU B 309 56.248 -10.778 6.282 1.00 42.30 C ATOM 1863 O LEU B 309 55.415 -10.283 5.535 1.00 13.44 O ATOM 1864 CB LEU B 309 57.622 -8.963 7.484 1.00 30.00 C ATOM 1865 CG LEU B 309 58.906 -9.182 6.648 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.854 -8.057 6.895 1.00 10.42 C ATOM 1867 CD2 LEU B 309 59.598 -10.471 6.947 1.00 12.40 C ATOM 0 H LEU B 309 57.930 -11.042 8.956 1.00 64.14 H new ATOM 0 HA LEU B 309 55.647 -9.645 7.947 1.00 52.01 H new ATOM 0 HB2 LEU B 309 57.103 -8.103 7.061 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.935 -8.684 8.490 1.00 30.00 H new ATOM 0 HG LEU B 309 58.596 -9.219 5.604 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.759 -8.209 6.307 1.00 10.42 H new ATOM 0 HD12 LEU B 309 59.386 -7.116 6.604 1.00 10.42 H new ATOM 0 HD13 LEU B 309 60.110 -8.023 7.954 1.00 10.42 H new ATOM 0 HD21 LEU B 309 60.489 -10.558 6.325 1.00 12.40 H new ATOM 0 HD22 LEU B 309 59.885 -10.494 7.998 1.00 12.40 H new ATOM 0 HD23 LEU B 309 58.926 -11.302 6.736 1.00 12.40 H new ATOM 1879 N TRP B 310 56.838 -11.938 6.023 1.00 43.14 N ATOM 1880 CA TRP B 310 56.591 -12.637 4.771 1.00 14.01 C ATOM 1881 C TRP B 310 55.220 -13.282 4.827 1.00 31.23 C ATOM 1882 O TRP B 310 54.431 -13.209 3.887 1.00 14.12 O ATOM 1883 CB TRP B 310 57.689 -13.690 4.488 1.00 43.11 C ATOM 1884 CG TRP B 310 57.426 -14.496 3.245 1.00 74.31 C ATOM 1885 CD1 TRP B 310 56.733 -15.654 3.170 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.837 -14.198 1.908 1.00 15.41 C ATOM 1887 NE1 TRP B 310 56.669 -16.086 1.874 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.334 -15.218 1.081 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.572 -13.176 1.331 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.534 -15.240 -0.287 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.779 -13.194 -0.030 1.00 70.43 C ATOM 1892 CH2 TRP B 310 58.260 -14.219 -0.829 1.00 52.42 C ATOM 0 H TRP B 310 57.484 -12.410 6.656 1.00 43.14 H new ATOM 0 HA TRP B 310 56.620 -11.919 3.951 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.651 -13.186 4.391 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.767 -14.364 5.341 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.293 -16.165 4.013 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.194 -16.931 1.556 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.976 -12.379 1.938 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.132 -16.032 -0.901 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 59.352 -12.403 -0.489 1.00 70.43 H new ATOM 0 HH2 TRP B 310 58.437 -14.202 -1.894 1.00 52.42 H new ATOM 1903 N SER B 311 54.916 -13.842 5.975 1.00 14.42 N ATOM 1904 CA SER B 311 53.656 -14.503 6.203 1.00 14.14 C ATOM 1905 C SER B 311 52.506 -13.473 6.259 1.00 41.41 C ATOM 1906 O SER B 311 51.329 -13.826 6.228 1.00 31.14 O ATOM 1907 CB SER B 311 53.743 -15.259 7.530 1.00 42.43 C ATOM 1908 OG SER B 311 54.947 -16.026 7.597 1.00 14.24 O ATOM 0 H SER B 311 55.541 -13.851 6.781 1.00 14.42 H new ATOM 0 HA SER B 311 53.451 -15.195 5.386 1.00 14.14 H new ATOM 0 HB2 SER B 311 53.709 -14.553 8.359 1.00 42.43 H new ATOM 0 HB3 SER B 311 52.881 -15.917 7.637 1.00 42.43 H new ATOM 0 HG SER B 311 55.466 -15.752 8.382 1.00 14.24 H new ATOM 1914 N SER B 312 52.868 -12.202 6.312 1.00 1.11 N ATOM 1915 CA SER B 312 51.919 -11.142 6.470 1.00 11.44 C ATOM 1916 C SER B 312 51.898 -10.205 5.247 1.00 60.40 C ATOM 1917 O SER B 312 51.265 -9.148 5.290 1.00 41.34 O ATOM 1918 CB SER B 312 52.289 -10.353 7.731 1.00 21.31 C ATOM 1919 OG SER B 312 52.364 -11.218 8.871 1.00 22.34 O ATOM 0 H SER B 312 53.836 -11.888 6.245 1.00 1.11 H new ATOM 0 HA SER B 312 50.921 -11.570 6.561 1.00 11.44 H new ATOM 0 HB2 SER B 312 53.247 -9.854 7.585 1.00 21.31 H new ATOM 0 HB3 SER B 312 51.547 -9.574 7.908 1.00 21.31 H new ATOM 0 HG SER B 312 53.302 -11.339 9.128 1.00 22.34 H new ATOM 1925 N LEU B 313 52.527 -10.603 4.136 1.00 4.23 N ATOM 1926 CA LEU B 313 52.611 -9.690 2.992 1.00 14.51 C ATOM 1927 C LEU B 313 51.419 -9.804 2.044 1.00 52.23 C ATOM 1928 O LEU B 313 51.428 -9.263 0.931 1.00 52.02 O ATOM 1929 CB LEU B 313 53.983 -9.766 2.271 1.00 61.41 C ATOM 1930 CG LEU B 313 54.451 -11.091 1.643 1.00 1.40 C ATOM 1931 CD1 LEU B 313 53.654 -11.460 0.396 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.919 -10.989 1.315 1.00 23.23 C ATOM 0 H LEU B 313 52.969 -11.513 4.005 1.00 4.23 H new ATOM 0 HA LEU B 313 52.548 -8.683 3.404 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.975 -9.017 1.479 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.744 -9.461 2.990 1.00 61.41 H new ATOM 0 HG LEU B 313 54.281 -11.886 2.369 1.00 1.40 H new ATOM 0 HD11 LEU B 313 54.025 -12.402 -0.007 1.00 73.31 H new ATOM 0 HD12 LEU B 313 52.601 -11.566 0.655 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.766 -10.676 -0.353 1.00 73.31 H new ATOM 0 HD21 LEU B 313 56.258 -11.924 0.870 1.00 23.23 H new ATOM 0 HD22 LEU B 313 56.079 -10.173 0.611 1.00 23.23 H new ATOM 0 HD23 LEU B 313 56.483 -10.796 2.228 1.00 23.23 H new ATOM 1944 N GLU B 314 50.384 -10.457 2.523 1.00 50.02 N ATOM 1945 CA GLU B 314 49.144 -10.642 1.795 1.00 22.11 C ATOM 1946 C GLU B 314 48.415 -9.286 1.675 1.00 24.03 C ATOM 1947 O GLU B 314 48.687 -8.363 2.462 1.00 52.11 O ATOM 1948 CB GLU B 314 48.266 -11.657 2.554 1.00 41.12 C ATOM 1949 CG GLU B 314 47.839 -11.176 3.932 1.00 31.33 C ATOM 1950 CD GLU B 314 47.029 -12.189 4.692 1.00 73.45 C ATOM 1951 OE1 GLU B 314 45.852 -12.398 4.360 1.00 40.53 O ATOM 1952 OE2 GLU B 314 47.540 -12.757 5.664 1.00 13.23 O ATOM 0 H GLU B 314 50.379 -10.884 3.449 1.00 50.02 H new ATOM 0 HA GLU B 314 49.347 -11.021 0.794 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.377 -11.872 1.961 1.00 41.12 H new ATOM 0 HB3 GLU B 314 48.814 -12.594 2.658 1.00 41.12 H new ATOM 0 HG2 GLU B 314 48.727 -10.922 4.512 1.00 31.33 H new ATOM 0 HG3 GLU B 314 47.256 -10.261 3.825 1.00 31.33 H new ATOM 1959 N PRO B 315 47.517 -9.124 0.696 1.00 10.45 N ATOM 1960 CA PRO B 315 46.787 -7.886 0.535 1.00 54.32 C ATOM 1961 C PRO B 315 45.751 -7.709 1.637 1.00 3.22 C ATOM 1962 O PRO B 315 45.925 -6.867 2.529 1.00 2.51 O ATOM 1963 CB PRO B 315 46.133 -7.982 -0.850 1.00 25.23 C ATOM 1964 CG PRO B 315 46.274 -9.405 -1.292 1.00 44.42 C ATOM 1965 CD PRO B 315 47.165 -10.126 -0.319 1.00 62.12 C ATOM 0 HA PRO B 315 47.439 -7.016 0.608 1.00 54.32 H new ATOM 0 HB2 PRO B 315 45.083 -7.693 -0.803 1.00 25.23 H new ATOM 0 HB3 PRO B 315 46.618 -7.307 -1.555 1.00 25.23 H new ATOM 0 HG2 PRO B 315 45.297 -9.885 -1.337 1.00 44.42 H new ATOM 0 HG3 PRO B 315 46.697 -9.449 -2.296 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.652 -10.977 0.129 1.00 62.12 H new ATOM 0 HD3 PRO B 315 48.055 -10.515 -0.814 1.00 62.12 H new ATOM 1973 N ASP B 316 44.721 -8.534 1.606 1.00 41.21 N ATOM 1974 CA ASP B 316 43.659 -8.513 2.585 1.00 41.22 C ATOM 1975 C ASP B 316 42.729 -9.668 2.321 1.00 10.30 C ATOM 1976 O ASP B 316 41.938 -9.596 1.373 1.00 0.00 O ATOM 1977 CB ASP B 316 42.888 -7.183 2.580 1.00 11.05 C ATOM 1978 CG ASP B 316 41.750 -7.170 3.577 1.00 61.13 C ATOM 1979 OD1 ASP B 316 42.005 -7.341 4.796 1.00 52.21 O ATOM 1980 OD2 ASP B 316 40.579 -6.989 3.172 1.00 1.52 O ATOM 1981 OXT ASP B 316 42.826 -10.691 3.024 1.00 0.00 O ATOM 0 H ASP B 316 44.600 -9.247 0.887 1.00 41.21 H new ATOM 0 HA ASP B 316 44.103 -8.610 3.576 1.00 41.22 H new ATOM 0 HB2 ASP B 316 43.575 -6.368 2.807 1.00 11.05 H new ATOM 0 HB3 ASP B 316 42.494 -6.999 1.581 1.00 11.05 H new