USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 689 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 Single : A 26 THR OG1 : rot 39:sc= 0.101 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -124:sc= -0.151 (180deg=-1.5) USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= -1.01 (180deg=-1.08) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -114:sc= 1.31 (180deg=-0.285) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -82:sc= -0.964 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -136:sc= -0.416 (180deg=-2.34!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.685 USER MOD Single : A 59 GLN : amide:sc= -4.99! C(o=-5!,f=-7!) USER MOD Single : A 60 TYR OH : rot 30:sc= -1.75! USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 73 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-7.2!) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0409 USER MOD Single : A 77 CYS SG : rot 180:sc= -0.0227 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.49) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 34:sc= 0.344 USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0488 (180deg=-0.276) USER MOD Single : A 96 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.15) USER MOD Single : A 98 LYS NZ :NH3+ 147:sc= -2.39! (180deg=-4.54!) USER MOD Single : A 100 TYR OH : rot -177:sc= 0.923 USER MOD Single : A 101 THR OG1 : rot 8:sc= -0.987! USER MOD Single : A 102 MET CE :methyl -111:sc= -5.03! (180deg=-10.7!) USER MOD Single : A 104 TYR OH : rot 49:sc= -1.18! USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -11.201 1.669 -0.161 1.00 0.00 N ATOM 348 CA THR A 26 -11.690 0.300 -0.274 1.00 0.00 C ATOM 349 C THR A 26 -11.644 -0.411 1.071 1.00 0.00 C ATOM 350 O THR A 26 -10.674 -0.284 1.817 1.00 0.00 O ATOM 351 CB THR A 26 -10.871 -0.511 -1.298 1.00 0.00 C ATOM 352 OG1 THR A 26 -10.856 0.169 -2.559 1.00 0.00 O ATOM 353 CG2 THR A 26 -11.451 -1.906 -1.476 1.00 0.00 C ATOM 0 HA THR A 26 -12.723 0.362 -0.616 1.00 0.00 H new ATOM 0 HB THR A 26 -9.852 -0.605 -0.922 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.768 1.134 -2.410 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.855 -2.458 -2.203 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.435 -2.431 -0.521 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.479 -1.830 -1.831 1.00 0.00 H new ATOM 361 N LEU A 27 -12.671 -1.206 1.349 1.00 0.00 N ATOM 362 CA LEU A 27 -12.586 -2.197 2.402 1.00 0.00 C ATOM 363 C LEU A 27 -11.885 -3.427 1.875 1.00 0.00 C ATOM 364 O LEU A 27 -12.433 -4.526 1.871 1.00 0.00 O ATOM 365 CB LEU A 27 -13.969 -2.543 2.941 1.00 0.00 C ATOM 366 CG LEU A 27 -14.354 -1.764 4.196 1.00 0.00 C ATOM 367 CD1 LEU A 27 -13.387 -2.086 5.322 1.00 0.00 C ATOM 368 CD2 LEU A 27 -14.354 -0.273 3.908 1.00 0.00 C ATOM 0 H LEU A 27 -13.566 -1.180 0.860 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.010 -1.787 3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.710 -2.352 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.006 -3.610 3.161 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.358 -2.057 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.668 -1.526 6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.422 -3.154 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.376 -1.809 5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.630 0.272 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.359 0.036 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.073 -0.055 3.118 1.00 0.00 H new ATOM 380 N VAL A 28 -10.677 -3.202 1.391 1.00 0.00 N ATOM 381 CA VAL A 28 -9.932 -4.220 0.672 1.00 0.00 C ATOM 382 C VAL A 28 -9.668 -5.416 1.567 1.00 0.00 C ATOM 383 O VAL A 28 -9.216 -5.273 2.702 1.00 0.00 O ATOM 384 CB VAL A 28 -8.597 -3.661 0.149 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.079 -2.601 1.098 1.00 0.00 C ATOM 386 CG2 VAL A 28 -7.575 -4.772 -0.026 1.00 0.00 C ATOM 0 H VAL A 28 -10.186 -2.313 1.484 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.536 -4.535 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.766 -3.209 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.134 -2.208 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.805 -1.791 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.925 -3.039 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.640 -4.351 -0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.399 -5.259 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.952 -5.504 -0.740 1.00 0.00 H new ATOM 396 N ARG A 29 -9.988 -6.589 1.057 1.00 0.00 N ATOM 397 CA ARG A 29 -10.007 -7.789 1.875 1.00 0.00 C ATOM 398 C ARG A 29 -9.837 -9.039 1.011 1.00 0.00 C ATOM 399 O ARG A 29 -10.711 -9.905 0.981 1.00 0.00 O ATOM 400 CB ARG A 29 -11.323 -7.863 2.651 1.00 0.00 C ATOM 401 CG ARG A 29 -12.535 -7.459 1.822 1.00 0.00 C ATOM 402 CD ARG A 29 -13.833 -7.727 2.561 1.00 0.00 C ATOM 403 NE ARG A 29 -14.993 -7.217 1.836 1.00 0.00 N ATOM 404 CZ ARG A 29 -16.182 -7.016 2.396 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.367 -7.283 3.683 1.00 0.00 N ATOM 406 NH2 ARG A 29 -17.188 -6.546 1.673 1.00 0.00 N ATOM 0 H ARG A 29 -10.239 -6.738 0.080 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.175 -7.744 2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.464 -8.880 3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.258 -7.216 3.526 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.469 -6.400 1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.532 -8.008 0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -13.946 -8.800 2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.790 -7.265 3.547 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.885 -7.003 0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.596 -7.643 4.245 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.280 -7.128 4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -17.051 -6.337 0.684 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -18.099 -6.393 2.105 1.00 0.00 H new ATOM 420 N PRO A 30 -8.725 -9.120 0.261 1.00 0.00 N ATOM 421 CA PRO A 30 -8.549 -10.103 -0.797 1.00 0.00 C ATOM 422 C PRO A 30 -7.874 -11.379 -0.306 1.00 0.00 C ATOM 423 O PRO A 30 -7.694 -11.576 0.895 1.00 0.00 O ATOM 424 CB PRO A 30 -7.643 -9.374 -1.801 1.00 0.00 C ATOM 425 CG PRO A 30 -7.111 -8.159 -1.088 1.00 0.00 C ATOM 426 CD PRO A 30 -7.564 -8.241 0.346 1.00 0.00 C ATOM 0 HA PRO A 30 -9.503 -10.431 -1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.828 -10.020 -2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.202 -9.088 -2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.023 -8.127 -1.145 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.482 -7.247 -1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.790 -8.653 0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.825 -7.261 0.746 1.00 0.00 H new ATOM 434 N LYS A 31 -7.485 -12.232 -1.249 1.00 0.00 N ATOM 435 CA LYS A 31 -6.704 -13.422 -0.933 1.00 0.00 C ATOM 436 C LYS A 31 -5.432 -13.046 -0.174 1.00 0.00 C ATOM 437 O LYS A 31 -4.997 -11.896 -0.221 1.00 0.00 O ATOM 438 CB LYS A 31 -6.347 -14.172 -2.219 1.00 0.00 C ATOM 439 CG LYS A 31 -7.558 -14.625 -3.018 1.00 0.00 C ATOM 440 CD LYS A 31 -7.153 -15.368 -4.282 1.00 0.00 C ATOM 441 CE LYS A 31 -6.447 -16.676 -3.962 1.00 0.00 C ATOM 442 NZ LYS A 31 -6.049 -17.410 -5.194 1.00 0.00 N ATOM 0 H LYS A 31 -7.699 -12.120 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.306 -14.072 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.730 -13.528 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.743 -15.043 -1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.181 -15.272 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.164 -13.758 -3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.038 -15.570 -4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.496 -14.737 -4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.562 -16.472 -3.359 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.104 -17.305 -3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.571 -18.296 -4.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.896 -17.627 -5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.402 -16.821 -5.755 1.00 0.00 H new ATOM 456 N PRO A 32 -4.820 -14.013 0.537 1.00 0.00 N ATOM 457 CA PRO A 32 -3.585 -13.775 1.293 1.00 0.00 C ATOM 458 C PRO A 32 -2.451 -13.269 0.407 1.00 0.00 C ATOM 459 O PRO A 32 -1.620 -14.048 -0.060 1.00 0.00 O ATOM 460 CB PRO A 32 -3.237 -15.153 1.873 1.00 0.00 C ATOM 461 CG PRO A 32 -4.027 -16.130 1.068 1.00 0.00 C ATOM 462 CD PRO A 32 -5.276 -15.407 0.659 1.00 0.00 C ATOM 0 HA PRO A 32 -3.721 -13.005 2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.168 -15.353 1.797 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.498 -15.212 2.930 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.465 -16.463 0.196 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.263 -17.019 1.653 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.673 -15.787 -0.282 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.066 -15.511 1.403 1.00 0.00 H new ATOM 470 N LEU A 33 -2.431 -11.959 0.175 1.00 0.00 N ATOM 471 CA LEU A 33 -1.442 -11.346 -0.703 1.00 0.00 C ATOM 472 C LEU A 33 -1.165 -9.909 -0.277 1.00 0.00 C ATOM 473 O LEU A 33 -0.184 -9.304 -0.704 1.00 0.00 O ATOM 474 CB LEU A 33 -1.922 -11.374 -2.157 1.00 0.00 C ATOM 475 CG LEU A 33 -2.020 -12.765 -2.787 1.00 0.00 C ATOM 476 CD1 LEU A 33 -2.705 -12.689 -4.143 1.00 0.00 C ATOM 477 CD2 LEU A 33 -0.640 -13.392 -2.919 1.00 0.00 C ATOM 0 H LEU A 33 -3.092 -11.300 0.586 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.519 -11.920 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.902 -10.900 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.244 -10.768 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.621 -13.396 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.766 -13.687 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.710 -12.284 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.131 -12.041 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.731 -14.381 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.013 -12.762 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.186 -13.483 -1.932 1.00 0.00 H new ATOM 489 N LEU A 34 -2.029 -9.377 0.579 1.00 0.00 N ATOM 490 CA LEU A 34 -1.846 -8.050 1.135 1.00 0.00 C ATOM 491 C LEU A 34 -1.875 -8.152 2.645 1.00 0.00 C ATOM 492 O LEU A 34 -1.636 -7.182 3.357 1.00 0.00 O ATOM 493 CB LEU A 34 -2.943 -7.100 0.648 1.00 0.00 C ATOM 494 CG LEU A 34 -3.273 -7.193 -0.844 1.00 0.00 C ATOM 495 CD1 LEU A 34 -4.296 -6.136 -1.226 1.00 0.00 C ATOM 496 CD2 LEU A 34 -2.014 -7.048 -1.681 1.00 0.00 C ATOM 0 H LEU A 34 -2.871 -9.853 0.903 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.888 -7.648 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.851 -7.298 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.642 -6.077 0.874 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.701 -8.175 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.521 -6.215 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.209 -6.288 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.893 -5.146 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.270 -7.117 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.554 -6.080 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.313 -7.843 -1.425 1.00 0.00 H new ATOM 508 N LEU A 35 -2.179 -9.354 3.117 1.00 0.00 N ATOM 509 CA LEU A 35 -2.234 -9.635 4.539 1.00 0.00 C ATOM 510 C LEU A 35 -1.168 -10.663 4.893 1.00 0.00 C ATOM 511 O LEU A 35 -0.656 -10.689 6.005 1.00 0.00 O ATOM 512 CB LEU A 35 -3.617 -10.162 4.944 1.00 0.00 C ATOM 513 CG LEU A 35 -4.762 -9.894 3.959 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.819 -8.422 3.580 1.00 0.00 C ATOM 515 CD2 LEU A 35 -4.621 -10.769 2.723 1.00 0.00 C ATOM 0 H LEU A 35 -2.393 -10.156 2.525 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.051 -8.708 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.542 -11.239 5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.883 -9.722 5.905 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.701 -10.149 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.639 -8.258 2.881 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.980 -7.822 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.879 -8.130 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.443 -10.564 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.673 -10.552 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.646 -11.819 3.016 1.00 0.00 H new ATOM 527 N LYS A 36 -0.772 -11.448 3.899 1.00 0.00 N ATOM 528 CA LYS A 36 0.573 -11.989 3.867 1.00 0.00 C ATOM 529 C LYS A 36 1.564 -10.850 3.677 1.00 0.00 C ATOM 530 O LYS A 36 2.769 -11.014 3.869 1.00 0.00 O ATOM 531 CB LYS A 36 0.710 -13.010 2.737 1.00 0.00 C ATOM 532 CG LYS A 36 -0.047 -14.304 2.990 1.00 0.00 C ATOM 533 CD LYS A 36 0.535 -15.071 4.167 1.00 0.00 C ATOM 534 CE LYS A 36 -0.238 -16.351 4.437 1.00 0.00 C ATOM 535 NZ LYS A 36 -1.656 -16.078 4.804 1.00 0.00 N ATOM 0 H LYS A 36 -1.361 -11.720 3.112 1.00 0.00 H new ATOM 0 HA LYS A 36 0.782 -12.497 4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.350 -12.564 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.766 -13.239 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.096 -14.081 3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.013 -14.927 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.579 -15.311 3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.519 -14.441 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.208 -16.986 3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.245 -16.904 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.867 -16.514 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.807 -15.051 4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.285 -16.478 4.079 1.00 0.00 H new ATOM 549 N LEU A 37 1.030 -9.687 3.316 1.00 0.00 N ATOM 550 CA LEU A 37 1.818 -8.480 3.195 1.00 0.00 C ATOM 551 C LEU A 37 1.787 -7.687 4.501 1.00 0.00 C ATOM 552 O LEU A 37 2.823 -7.242 4.984 1.00 0.00 O ATOM 553 CB LEU A 37 1.292 -7.629 2.037 1.00 0.00 C ATOM 554 CG LEU A 37 2.352 -6.815 1.297 1.00 0.00 C ATOM 555 CD1 LEU A 37 3.088 -5.918 2.267 1.00 0.00 C ATOM 556 CD2 LEU A 37 3.325 -7.733 0.572 1.00 0.00 C ATOM 0 H LEU A 37 0.041 -9.562 3.101 1.00 0.00 H new ATOM 0 HA LEU A 37 2.853 -8.754 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.795 -8.284 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.536 -6.946 2.423 1.00 0.00 H new ATOM 0 HG LEU A 37 1.856 -6.192 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.841 -5.342 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.381 -5.237 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.573 -6.527 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.072 -7.133 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.820 -8.382 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.781 -8.342 -0.150 1.00 0.00 H new ATOM 568 N LEU A 38 0.602 -7.547 5.097 1.00 0.00 N ATOM 569 CA LEU A 38 0.515 -7.027 6.459 1.00 0.00 C ATOM 570 C LEU A 38 -0.596 -7.683 7.271 1.00 0.00 C ATOM 571 O LEU A 38 -1.578 -7.047 7.640 1.00 0.00 O ATOM 572 CB LEU A 38 0.388 -5.496 6.493 1.00 0.00 C ATOM 573 CG LEU A 38 -0.518 -4.808 5.460 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.037 -4.959 4.059 1.00 0.00 C ATOM 575 CD2 LEU A 38 -1.949 -5.294 5.549 1.00 0.00 C ATOM 0 H LEU A 38 -0.293 -7.781 4.668 1.00 0.00 H new ATOM 0 HA LEU A 38 1.460 -7.291 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.031 -5.216 7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.389 -5.079 6.385 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.531 -3.744 5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.625 -4.462 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.027 -4.506 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.109 -6.017 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.554 -4.782 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.980 -6.368 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.344 -5.082 6.543 1.00 0.00 H new ATOM 587 N LYS A 39 -0.351 -8.926 7.655 1.00 0.00 N ATOM 588 CA LYS A 39 -0.824 -9.451 8.931 1.00 0.00 C ATOM 589 C LYS A 39 0.364 -9.852 9.797 1.00 0.00 C ATOM 590 O LYS A 39 0.201 -10.329 10.920 1.00 0.00 O ATOM 591 CB LYS A 39 -1.741 -10.658 8.716 1.00 0.00 C ATOM 592 CG LYS A 39 -3.184 -10.286 8.422 1.00 0.00 C ATOM 593 CD LYS A 39 -3.981 -11.484 7.935 1.00 0.00 C ATOM 594 CE LYS A 39 -5.475 -11.209 7.965 1.00 0.00 C ATOM 595 NZ LYS A 39 -5.963 -10.933 9.344 1.00 0.00 N ATOM 0 H LYS A 39 0.177 -9.597 7.097 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.394 -8.671 9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.354 -11.254 7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.712 -11.288 9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.647 -9.882 9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.211 -9.499 7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.677 -11.736 6.919 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.757 -12.349 8.559 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.700 -10.357 7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.010 -12.066 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.002 -10.885 9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.653 -11.695 9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.575 -10.026 9.674 1.00 0.00 H new ATOM 609 N SER A 40 1.564 -9.662 9.252 1.00 0.00 N ATOM 610 CA SER A 40 2.792 -10.060 9.932 1.00 0.00 C ATOM 611 C SER A 40 3.374 -8.903 10.738 1.00 0.00 C ATOM 612 O SER A 40 3.795 -9.086 11.880 1.00 0.00 O ATOM 613 CB SER A 40 3.822 -10.556 8.916 1.00 0.00 C ATOM 614 OG SER A 40 3.336 -11.681 8.204 1.00 0.00 O ATOM 0 H SER A 40 1.711 -9.233 8.338 1.00 0.00 H new ATOM 0 HA SER A 40 2.548 -10.869 10.621 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.062 -9.755 8.217 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.747 -10.819 9.430 1.00 0.00 H new ATOM 0 HG SER A 40 4.012 -11.978 7.560 1.00 0.00 H new ATOM 620 N VAL A 41 3.390 -7.711 10.140 1.00 0.00 N ATOM 621 CA VAL A 41 3.861 -6.516 10.840 1.00 0.00 C ATOM 622 C VAL A 41 3.205 -6.407 12.209 1.00 0.00 C ATOM 623 O VAL A 41 3.881 -6.393 13.238 1.00 0.00 O ATOM 624 CB VAL A 41 3.569 -5.214 10.059 1.00 0.00 C ATOM 625 CG1 VAL A 41 4.818 -4.358 9.956 1.00 0.00 C ATOM 626 CG2 VAL A 41 3.009 -5.500 8.676 1.00 0.00 C ATOM 0 H VAL A 41 3.085 -7.548 9.180 1.00 0.00 H new ATOM 0 HA VAL A 41 4.941 -6.627 10.937 1.00 0.00 H new ATOM 0 HB VAL A 41 2.811 -4.664 10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.590 -3.447 9.403 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.164 -4.098 10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.598 -4.913 9.435 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.817 -4.560 8.159 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.729 -6.087 8.106 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.078 -6.059 8.769 1.00 0.00 H new ATOM 636 N GLY A 42 1.878 -6.355 12.207 1.00 0.00 N ATOM 637 CA GLY A 42 1.130 -6.379 13.446 1.00 0.00 C ATOM 638 C GLY A 42 -0.362 -6.294 13.211 1.00 0.00 C ATOM 639 O GLY A 42 -1.136 -6.093 14.148 1.00 0.00 O ATOM 0 H GLY A 42 1.306 -6.296 11.364 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.359 -7.295 13.990 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.445 -5.547 14.076 1.00 0.00 H new ATOM 643 N ALA A 43 -0.763 -6.453 11.956 1.00 0.00 N ATOM 644 CA ALA A 43 -2.176 -6.414 11.597 1.00 0.00 C ATOM 645 C ALA A 43 -2.834 -7.776 11.802 1.00 0.00 C ATOM 646 O ALA A 43 -2.176 -8.812 11.721 1.00 0.00 O ATOM 647 CB ALA A 43 -2.342 -5.960 10.157 1.00 0.00 C ATOM 0 H ALA A 43 -0.131 -6.610 11.171 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.671 -5.698 12.253 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.402 -5.936 9.903 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.917 -4.963 10.039 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.826 -6.655 9.495 1.00 0.00 H new ATOM 653 N GLN A 44 -4.137 -7.763 12.062 1.00 0.00 N ATOM 654 CA GLN A 44 -4.892 -8.997 12.250 1.00 0.00 C ATOM 655 C GLN A 44 -6.393 -8.739 12.146 1.00 0.00 C ATOM 656 O GLN A 44 -7.110 -8.766 13.145 1.00 0.00 O ATOM 657 CB GLN A 44 -4.558 -9.621 13.608 1.00 0.00 C ATOM 658 CG GLN A 44 -5.187 -10.990 13.822 1.00 0.00 C ATOM 659 CD GLN A 44 -4.829 -11.592 15.166 1.00 0.00 C ATOM 660 OE1 GLN A 44 -3.831 -12.302 15.295 1.00 0.00 O ATOM 661 NE2 GLN A 44 -5.644 -11.313 16.176 1.00 0.00 N ATOM 0 H GLN A 44 -4.692 -6.912 12.147 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.608 -9.693 11.460 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.476 -9.709 13.701 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.892 -8.949 14.399 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.271 -10.904 13.744 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.862 -11.663 13.028 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.460 -10.720 16.024 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.454 -11.692 17.104 1.00 0.00 H new ATOM 670 N LYS A 45 -6.861 -8.492 10.926 1.00 0.00 N ATOM 671 CA LYS A 45 -8.282 -8.268 10.680 1.00 0.00 C ATOM 672 C LYS A 45 -8.729 -8.972 9.404 1.00 0.00 C ATOM 673 O LYS A 45 -7.945 -9.147 8.471 1.00 0.00 O ATOM 674 CB LYS A 45 -8.576 -6.770 10.576 1.00 0.00 C ATOM 675 CG LYS A 45 -8.164 -5.981 11.808 1.00 0.00 C ATOM 676 CD LYS A 45 -8.563 -4.517 11.697 1.00 0.00 C ATOM 677 CE LYS A 45 -7.837 -3.822 10.555 1.00 0.00 C ATOM 678 NZ LYS A 45 -8.245 -2.395 10.423 1.00 0.00 N ATOM 0 H LYS A 45 -6.276 -8.442 10.092 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.839 -8.683 11.520 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.058 -6.366 9.706 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.643 -6.629 10.405 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.627 -6.419 12.692 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.085 -6.055 11.944 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.639 -4.444 11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.340 -4.007 12.634 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.761 -3.878 10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.043 -4.346 9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.746 -2.259 9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.874 -2.139 11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.400 -1.789 10.444 1.00 0.00 H new ATOM 692 N ASP A 46 -9.995 -9.379 9.373 1.00 0.00 N ATOM 693 CA ASP A 46 -10.542 -10.095 8.226 1.00 0.00 C ATOM 694 C ASP A 46 -10.606 -9.193 6.999 1.00 0.00 C ATOM 695 O ASP A 46 -10.795 -9.668 5.879 1.00 0.00 O ATOM 696 CB ASP A 46 -11.936 -10.632 8.554 1.00 0.00 C ATOM 697 CG ASP A 46 -11.926 -11.594 9.725 1.00 0.00 C ATOM 698 OD1 ASP A 46 -12.070 -11.131 10.876 1.00 0.00 O ATOM 699 OD2 ASP A 46 -11.772 -12.812 9.491 1.00 0.00 O ATOM 0 H ASP A 46 -10.661 -9.225 10.130 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.880 -10.932 8.002 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.600 -9.797 8.779 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.343 -11.136 7.677 1.00 0.00 H new ATOM 704 N THR A 47 -10.446 -7.890 7.216 1.00 0.00 N ATOM 705 CA THR A 47 -10.452 -6.925 6.121 1.00 0.00 C ATOM 706 C THR A 47 -9.437 -5.824 6.356 1.00 0.00 C ATOM 707 O THR A 47 -8.790 -5.769 7.402 1.00 0.00 O ATOM 708 CB THR A 47 -11.833 -6.265 5.940 1.00 0.00 C ATOM 709 OG1 THR A 47 -12.134 -5.445 7.077 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.928 -7.302 5.764 1.00 0.00 C ATOM 0 H THR A 47 -10.311 -7.479 8.140 1.00 0.00 H new ATOM 0 HA THR A 47 -10.198 -7.488 5.223 1.00 0.00 H new ATOM 0 HB THR A 47 -11.793 -5.653 5.039 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.012 -5.027 6.956 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.888 -6.800 5.639 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.718 -7.907 4.882 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.966 -7.944 6.644 1.00 0.00 H new ATOM 718 N TYR A 48 -9.313 -4.941 5.374 1.00 0.00 N ATOM 719 CA TYR A 48 -8.409 -3.814 5.483 1.00 0.00 C ATOM 720 C TYR A 48 -8.947 -2.597 4.754 1.00 0.00 C ATOM 721 O TYR A 48 -9.820 -2.699 3.890 1.00 0.00 O ATOM 722 CB TYR A 48 -7.047 -4.180 4.917 1.00 0.00 C ATOM 723 CG TYR A 48 -6.246 -5.075 5.821 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.444 -4.534 6.813 1.00 0.00 C ATOM 725 CD2 TYR A 48 -6.285 -6.454 5.680 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.697 -5.345 7.643 1.00 0.00 C ATOM 727 CE2 TYR A 48 -5.540 -7.274 6.505 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.746 -6.713 7.483 1.00 0.00 C ATOM 729 OH TYR A 48 -4.008 -7.526 8.310 1.00 0.00 O ATOM 0 H TYR A 48 -9.829 -4.987 4.495 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.315 -3.567 6.541 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.182 -4.675 3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.482 -3.267 4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.403 -3.462 6.938 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.907 -6.893 4.914 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.078 -4.910 8.413 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.579 -8.347 6.385 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.087 -7.579 7.979 1.00 0.00 H new ATOM 739 N THR A 49 -8.374 -1.447 5.079 1.00 0.00 N ATOM 740 CA THR A 49 -8.614 -0.237 4.313 1.00 0.00 C ATOM 741 C THR A 49 -7.298 0.396 3.899 1.00 0.00 C ATOM 742 O THR A 49 -6.262 0.152 4.515 1.00 0.00 O ATOM 743 CB THR A 49 -9.443 0.792 5.100 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.686 1.283 6.214 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.744 0.178 5.597 1.00 0.00 C ATOM 0 H THR A 49 -7.740 -1.328 5.869 1.00 0.00 H new ATOM 0 HA THR A 49 -9.182 -0.528 3.430 1.00 0.00 H new ATOM 0 HB THR A 49 -9.683 1.618 4.430 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.220 1.939 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.311 0.926 6.150 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.332 -0.167 4.746 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.522 -0.665 6.251 1.00 0.00 H new ATOM 753 N MET A 50 -7.337 1.169 2.827 1.00 0.00 N ATOM 754 CA MET A 50 -6.121 1.594 2.150 1.00 0.00 C ATOM 755 C MET A 50 -5.357 2.630 2.967 1.00 0.00 C ATOM 756 O MET A 50 -4.312 3.117 2.538 1.00 0.00 O ATOM 757 CB MET A 50 -6.468 2.151 0.777 1.00 0.00 C ATOM 758 CG MET A 50 -5.916 1.320 -0.368 1.00 0.00 C ATOM 759 SD MET A 50 -4.171 1.649 -0.686 1.00 0.00 S ATOM 760 CE MET A 50 -4.224 3.388 -1.113 1.00 0.00 C ATOM 0 H MET A 50 -8.198 1.516 2.405 1.00 0.00 H new ATOM 0 HA MET A 50 -5.472 0.725 2.036 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.552 2.213 0.682 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.082 3.167 0.697 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.047 0.262 -0.140 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.491 1.525 -1.271 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.595 3.568 -1.985 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.250 3.676 -1.340 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.859 3.980 -0.274 1.00 0.00 H new ATOM 770 N LYS A 51 -5.860 2.934 4.159 1.00 0.00 N ATOM 771 CA LYS A 51 -5.122 3.761 5.107 1.00 0.00 C ATOM 772 C LYS A 51 -4.325 2.875 6.050 1.00 0.00 C ATOM 773 O LYS A 51 -3.125 3.075 6.257 1.00 0.00 O ATOM 774 CB LYS A 51 -6.083 4.649 5.902 1.00 0.00 C ATOM 775 CG LYS A 51 -6.910 5.582 5.033 1.00 0.00 C ATOM 776 CD LYS A 51 -7.852 6.433 5.868 1.00 0.00 C ATOM 777 CE LYS A 51 -8.689 7.356 4.997 1.00 0.00 C ATOM 778 NZ LYS A 51 -9.613 8.196 5.808 1.00 0.00 N ATOM 0 H LYS A 51 -6.772 2.621 4.491 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.436 4.403 4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.755 4.015 6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.510 5.242 6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.247 6.229 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.486 4.997 4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.508 5.786 6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.276 7.025 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.031 8.000 4.413 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.266 6.762 4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.166 8.811 5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.258 7.583 6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.061 8.782 6.467 1.00 0.00 H new ATOM 792 N GLU A 52 -4.994 1.851 6.566 1.00 0.00 N ATOM 793 CA GLU A 52 -4.311 0.718 7.170 1.00 0.00 C ATOM 794 C GLU A 52 -3.179 0.246 6.265 1.00 0.00 C ATOM 795 O GLU A 52 -2.006 0.379 6.603 1.00 0.00 O ATOM 796 CB GLU A 52 -5.304 -0.419 7.398 1.00 0.00 C ATOM 797 CG GLU A 52 -4.905 -1.373 8.513 1.00 0.00 C ATOM 798 CD GLU A 52 -4.964 -0.729 9.883 1.00 0.00 C ATOM 799 OE1 GLU A 52 -6.055 -0.725 10.491 1.00 0.00 O ATOM 800 OE2 GLU A 52 -3.919 -0.228 10.349 1.00 0.00 O ATOM 0 H GLU A 52 -6.012 1.784 6.577 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.891 1.025 8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.281 0.006 7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.413 -0.984 6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.564 -2.241 8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.894 -1.736 8.330 1.00 0.00 H new ATOM 807 N VAL A 53 -3.549 -0.292 5.105 1.00 0.00 N ATOM 808 CA VAL A 53 -2.578 -0.785 4.135 1.00 0.00 C ATOM 809 C VAL A 53 -1.581 0.302 3.742 1.00 0.00 C ATOM 810 O VAL A 53 -0.425 0.009 3.441 1.00 0.00 O ATOM 811 CB VAL A 53 -3.270 -1.304 2.860 1.00 0.00 C ATOM 812 CG1 VAL A 53 -2.266 -1.994 1.950 1.00 0.00 C ATOM 813 CG2 VAL A 53 -4.407 -2.247 3.218 1.00 0.00 C ATOM 0 H VAL A 53 -4.521 -0.397 4.814 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.047 -1.605 4.618 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.687 -0.452 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.773 -2.354 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.487 -1.287 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.817 -2.837 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.885 -2.604 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.013 -3.096 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.140 -1.719 3.828 1.00 0.00 H new ATOM 823 N LEU A 54 -2.030 1.557 3.751 1.00 0.00 N ATOM 824 CA LEU A 54 -1.139 2.681 3.481 1.00 0.00 C ATOM 825 C LEU A 54 0.161 2.530 4.261 1.00 0.00 C ATOM 826 O LEU A 54 1.218 2.279 3.680 1.00 0.00 O ATOM 827 CB LEU A 54 -1.822 4.007 3.842 1.00 0.00 C ATOM 828 CG LEU A 54 -1.060 5.281 3.451 1.00 0.00 C ATOM 829 CD1 LEU A 54 0.036 5.591 4.460 1.00 0.00 C ATOM 830 CD2 LEU A 54 -0.476 5.152 2.052 1.00 0.00 C ATOM 0 H LEU A 54 -2.998 1.818 3.941 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.908 2.687 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.801 4.031 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.992 4.025 4.918 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.768 6.110 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.561 6.498 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.407 5.737 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.741 4.760 4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.060 6.066 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.212 4.307 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.281 4.990 1.335 1.00 0.00 H new ATOM 842 N PHE A 55 0.079 2.683 5.577 1.00 0.00 N ATOM 843 CA PHE A 55 1.269 2.630 6.415 1.00 0.00 C ATOM 844 C PHE A 55 1.670 1.191 6.723 1.00 0.00 C ATOM 845 O PHE A 55 2.779 0.941 7.191 1.00 0.00 O ATOM 846 CB PHE A 55 1.053 3.411 7.715 1.00 0.00 C ATOM 847 CG PHE A 55 -0.223 3.074 8.433 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.387 1.843 9.047 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.257 3.995 8.500 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.557 1.536 9.713 1.00 0.00 C ATOM 851 CE2 PHE A 55 -2.430 3.693 9.165 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.581 2.463 9.772 1.00 0.00 C ATOM 0 H PHE A 55 -0.792 2.843 6.083 1.00 0.00 H new ATOM 0 HA PHE A 55 2.083 3.095 5.859 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.893 3.222 8.383 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.059 4.477 7.490 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.410 1.115 9.004 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.144 4.959 8.027 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.672 0.573 10.187 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.228 4.419 9.210 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.497 2.225 10.292 1.00 0.00 H new ATOM 862 N TYR A 56 0.767 0.245 6.463 1.00 0.00 N ATOM 863 CA TYR A 56 1.030 -1.162 6.756 1.00 0.00 C ATOM 864 C TYR A 56 1.818 -1.829 5.642 1.00 0.00 C ATOM 865 O TYR A 56 2.918 -2.330 5.866 1.00 0.00 O ATOM 866 CB TYR A 56 -0.265 -1.925 7.005 1.00 0.00 C ATOM 867 CG TYR A 56 -0.400 -2.374 8.437 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.616 -3.097 9.045 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.528 -2.066 9.184 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.517 -3.501 10.361 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.639 -2.467 10.500 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.614 -3.184 11.085 1.00 0.00 C ATOM 873 OH TYR A 56 -0.720 -3.582 12.397 1.00 0.00 O ATOM 0 H TYR A 56 -0.149 0.427 6.052 1.00 0.00 H new ATOM 0 HA TYR A 56 1.632 -1.189 7.664 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.113 -1.292 6.744 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.303 -2.795 6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.500 -3.348 8.478 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.331 -1.504 8.729 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.318 -4.061 10.820 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.523 -2.221 11.069 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.577 -3.278 12.763 1.00 0.00 H new ATOM 883 N LEU A 57 1.272 -1.825 4.439 1.00 0.00 N ATOM 884 CA LEU A 57 2.022 -2.286 3.286 1.00 0.00 C ATOM 885 C LEU A 57 3.314 -1.494 3.164 1.00 0.00 C ATOM 886 O LEU A 57 4.360 -2.046 2.835 1.00 0.00 O ATOM 887 CB LEU A 57 1.188 -2.153 2.010 1.00 0.00 C ATOM 888 CG LEU A 57 1.449 -3.222 0.946 1.00 0.00 C ATOM 889 CD1 LEU A 57 0.361 -3.190 -0.117 1.00 0.00 C ATOM 890 CD2 LEU A 57 2.821 -3.034 0.317 1.00 0.00 C ATOM 0 H LEU A 57 0.323 -1.511 4.237 1.00 0.00 H new ATOM 0 HA LEU A 57 2.264 -3.340 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.132 -2.182 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.378 -1.173 1.572 1.00 0.00 H new ATOM 0 HG LEU A 57 1.430 -4.199 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.561 -3.956 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.607 -3.381 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.348 -2.210 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.985 -3.805 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.875 -2.051 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.588 -3.111 1.088 1.00 0.00 H new ATOM 902 N GLY A 58 3.239 -0.203 3.480 1.00 0.00 N ATOM 903 CA GLY A 58 4.438 0.607 3.567 1.00 0.00 C ATOM 904 C GLY A 58 5.439 0.067 4.572 1.00 0.00 C ATOM 905 O GLY A 58 6.627 -0.055 4.266 1.00 0.00 O ATOM 0 H GLY A 58 2.370 0.294 3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.908 0.660 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.164 1.625 3.844 1.00 0.00 H new ATOM 909 N GLN A 59 4.970 -0.234 5.782 1.00 0.00 N ATOM 910 CA GLN A 59 5.872 -0.598 6.869 1.00 0.00 C ATOM 911 C GLN A 59 6.473 -1.981 6.654 1.00 0.00 C ATOM 912 O GLN A 59 7.638 -2.205 6.976 1.00 0.00 O ATOM 913 CB GLN A 59 5.164 -0.534 8.229 1.00 0.00 C ATOM 914 CG GLN A 59 3.972 -1.464 8.364 1.00 0.00 C ATOM 915 CD GLN A 59 3.212 -1.244 9.658 1.00 0.00 C ATOM 916 OE1 GLN A 59 3.526 -1.840 10.687 1.00 0.00 O ATOM 917 NE2 GLN A 59 2.201 -0.384 9.613 1.00 0.00 N ATOM 0 H GLN A 59 3.981 -0.233 6.031 1.00 0.00 H new ATOM 0 HA GLN A 59 6.682 0.131 6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.885 -0.773 9.011 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.832 0.489 8.403 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.299 -1.313 7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.314 -2.498 8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.973 0.090 8.739 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.653 -0.197 10.452 1.00 0.00 H new ATOM 926 N TYR A 60 5.693 -2.907 6.096 1.00 0.00 N ATOM 927 CA TYR A 60 6.219 -4.227 5.770 1.00 0.00 C ATOM 928 C TYR A 60 7.359 -4.138 4.756 1.00 0.00 C ATOM 929 O TYR A 60 8.359 -4.847 4.875 1.00 0.00 O ATOM 930 CB TYR A 60 5.119 -5.141 5.237 1.00 0.00 C ATOM 931 CG TYR A 60 5.589 -6.556 4.999 1.00 0.00 C ATOM 932 CD1 TYR A 60 5.672 -7.464 6.047 1.00 0.00 C ATOM 933 CD2 TYR A 60 5.950 -6.983 3.730 1.00 0.00 C ATOM 934 CE1 TYR A 60 6.103 -8.760 5.835 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.380 -8.275 3.509 1.00 0.00 C ATOM 936 CZ TYR A 60 6.456 -9.160 4.564 1.00 0.00 C ATOM 937 OH TYR A 60 6.886 -10.448 4.349 1.00 0.00 O ATOM 0 H TYR A 60 4.709 -2.769 5.864 1.00 0.00 H new ATOM 0 HA TYR A 60 6.612 -4.654 6.693 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.291 -5.154 5.945 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.734 -4.730 4.304 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.395 -7.152 7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.894 -6.293 2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.163 -9.455 6.660 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.656 -8.592 2.514 1.00 0.00 H new ATOM 0 HH TYR A 60 6.461 -11.047 4.997 1.00 0.00 H new ATOM 947 N ILE A 61 7.215 -3.258 3.765 1.00 0.00 N ATOM 948 CA ILE A 61 8.295 -3.004 2.812 1.00 0.00 C ATOM 949 C ILE A 61 9.580 -2.644 3.545 1.00 0.00 C ATOM 950 O ILE A 61 10.564 -3.383 3.502 1.00 0.00 O ATOM 951 CB ILE A 61 7.948 -1.853 1.844 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.622 -2.115 1.143 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.053 -1.662 0.816 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.026 -0.870 0.531 1.00 0.00 C ATOM 0 H ILE A 61 6.368 -2.713 3.602 1.00 0.00 H new ATOM 0 HA ILE A 61 8.430 -3.921 2.238 1.00 0.00 H new ATOM 0 HB ILE A 61 7.855 -0.939 2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.770 -2.862 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.916 -2.536 1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.788 -0.846 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.987 -1.424 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.178 -2.580 0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.082 -1.119 0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.849 -0.130 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.716 -0.461 -0.207 1.00 0.00 H new ATOM 966 N MET A 62 9.555 -1.497 4.212 1.00 0.00 N ATOM 967 CA MET A 62 10.724 -0.997 4.932 1.00 0.00 C ATOM 968 C MET A 62 11.243 -2.014 5.950 1.00 0.00 C ATOM 969 O MET A 62 12.453 -2.156 6.132 1.00 0.00 O ATOM 970 CB MET A 62 10.381 0.313 5.643 1.00 0.00 C ATOM 971 CG MET A 62 9.838 1.385 4.713 1.00 0.00 C ATOM 972 SD MET A 62 9.444 2.919 5.575 1.00 0.00 S ATOM 973 CE MET A 62 8.846 3.925 4.220 1.00 0.00 C ATOM 0 H MET A 62 8.736 -0.892 4.271 1.00 0.00 H new ATOM 0 HA MET A 62 11.512 -0.824 4.199 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.645 0.112 6.422 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.274 0.692 6.139 1.00 0.00 H new ATOM 0 HG2 MET A 62 10.572 1.589 3.933 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.942 1.011 4.218 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.562 4.908 4.595 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.633 4.034 3.473 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.979 3.445 3.766 1.00 0.00 H new ATOM 983 N THR A 63 10.326 -2.684 6.646 1.00 0.00 N ATOM 984 CA THR A 63 10.686 -3.458 7.833 1.00 0.00 C ATOM 985 C THR A 63 11.502 -4.696 7.474 1.00 0.00 C ATOM 986 O THR A 63 12.334 -5.149 8.261 1.00 0.00 O ATOM 987 CB THR A 63 9.442 -3.891 8.634 1.00 0.00 C ATOM 988 OG1 THR A 63 9.835 -4.368 9.926 1.00 0.00 O ATOM 989 CG2 THR A 63 8.678 -4.981 7.903 1.00 0.00 C ATOM 0 H THR A 63 9.334 -2.707 6.410 1.00 0.00 H new ATOM 0 HA THR A 63 11.294 -2.798 8.452 1.00 0.00 H new ATOM 0 HB THR A 63 8.791 -3.024 8.745 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.040 -4.640 10.430 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.805 -5.269 8.489 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.356 -4.610 6.930 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.324 -5.848 7.765 1.00 0.00 H new ATOM 997 N LYS A 64 11.241 -5.256 6.297 1.00 0.00 N ATOM 998 CA LYS A 64 11.843 -6.529 5.910 1.00 0.00 C ATOM 999 C LYS A 64 13.183 -6.317 5.217 1.00 0.00 C ATOM 1000 O LYS A 64 13.714 -7.223 4.577 1.00 0.00 O ATOM 1001 CB LYS A 64 10.894 -7.306 4.996 1.00 0.00 C ATOM 1002 CG LYS A 64 9.551 -7.627 5.638 1.00 0.00 C ATOM 1003 CD LYS A 64 9.624 -8.870 6.515 1.00 0.00 C ATOM 1004 CE LYS A 64 10.264 -8.579 7.863 1.00 0.00 C ATOM 1005 NZ LYS A 64 10.333 -9.795 8.721 1.00 0.00 N ATOM 0 H LYS A 64 10.620 -4.851 5.597 1.00 0.00 H new ATOM 0 HA LYS A 64 12.019 -7.108 6.817 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.724 -6.727 4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.375 -8.237 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.223 -6.778 6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.803 -7.775 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.620 -9.265 6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.196 -9.643 6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.269 -8.185 7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.693 -7.805 8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.776 -9.553 9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.372 -10.157 8.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.899 -10.525 8.244 1.00 0.00 H new ATOM 1019 N ARG A 65 13.731 -5.117 5.374 1.00 0.00 N ATOM 1020 CA ARG A 65 15.064 -4.801 4.869 1.00 0.00 C ATOM 1021 C ARG A 65 15.207 -5.175 3.399 1.00 0.00 C ATOM 1022 O ARG A 65 16.281 -5.578 2.952 1.00 0.00 O ATOM 1023 CB ARG A 65 16.129 -5.519 5.699 1.00 0.00 C ATOM 1024 CG ARG A 65 16.102 -5.152 7.174 1.00 0.00 C ATOM 1025 CD ARG A 65 17.157 -5.915 7.957 1.00 0.00 C ATOM 1026 NE ARG A 65 17.144 -5.566 9.376 1.00 0.00 N ATOM 1027 CZ ARG A 65 17.896 -6.170 10.291 1.00 0.00 C ATOM 1028 NH1 ARG A 65 18.718 -7.150 9.939 1.00 0.00 N ATOM 1029 NH2 ARG A 65 17.828 -5.793 11.560 1.00 0.00 N ATOM 0 H ARG A 65 13.270 -4.342 5.850 1.00 0.00 H new ATOM 0 HA ARG A 65 15.206 -3.724 4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.991 -6.596 5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.113 -5.285 5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.268 -4.081 7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.116 -5.367 7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.987 -6.986 7.845 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.142 -5.703 7.540 1.00 0.00 H new ATOM 0 HE ARG A 65 16.523 -4.817 9.682 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.775 -7.442 8.963 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.293 -7.611 10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.198 -5.039 11.835 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.405 -6.257 12.261 1.00 0.00 H new ATOM 1043 N LEU A 66 14.122 -5.028 2.646 1.00 0.00 N ATOM 1044 CA LEU A 66 14.141 -5.300 1.216 1.00 0.00 C ATOM 1045 C LEU A 66 14.399 -4.022 0.425 1.00 0.00 C ATOM 1046 O LEU A 66 14.627 -4.064 -0.784 1.00 0.00 O ATOM 1047 CB LEU A 66 12.815 -5.921 0.788 1.00 0.00 C ATOM 1048 CG LEU A 66 12.419 -7.177 1.563 1.00 0.00 C ATOM 1049 CD1 LEU A 66 10.911 -7.343 1.564 1.00 0.00 C ATOM 1050 CD2 LEU A 66 13.092 -8.406 0.971 1.00 0.00 C ATOM 0 H LEU A 66 13.218 -4.721 3.004 1.00 0.00 H new ATOM 0 HA LEU A 66 14.950 -6.001 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.027 -5.177 0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.870 -6.167 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 66 12.756 -7.067 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.644 -8.242 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.450 -6.475 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.554 -7.432 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.798 -9.290 1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.787 -8.522 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.174 -8.287 1.021 1.00 0.00 H new ATOM 1062 N TYR A 67 14.355 -2.886 1.114 1.00 0.00 N ATOM 1063 CA TYR A 67 14.553 -1.593 0.473 1.00 0.00 C ATOM 1064 C TYR A 67 15.995 -1.435 -0.003 1.00 0.00 C ATOM 1065 O TYR A 67 16.789 -2.373 0.074 1.00 0.00 O ATOM 1066 CB TYR A 67 14.192 -0.460 1.436 1.00 0.00 C ATOM 1067 CG TYR A 67 15.133 -0.342 2.613 1.00 0.00 C ATOM 1068 CD1 TYR A 67 15.011 -1.180 3.715 1.00 0.00 C ATOM 1069 CD2 TYR A 67 16.144 0.610 2.622 1.00 0.00 C ATOM 1070 CE1 TYR A 67 15.870 -1.072 4.792 1.00 0.00 C ATOM 1071 CE2 TYR A 67 17.007 0.724 3.692 1.00 0.00 C ATOM 1072 CZ TYR A 67 16.867 -0.118 4.776 1.00 0.00 C ATOM 1073 OH TYR A 67 17.723 -0.005 5.847 1.00 0.00 O ATOM 0 H TYR A 67 14.184 -2.836 2.118 1.00 0.00 H new ATOM 0 HA TYR A 67 13.896 -1.543 -0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.188 0.483 0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.179 -0.618 1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 67 14.232 -1.928 3.730 1.00 0.00 H new ATOM 0 HD2 TYR A 67 16.257 1.273 1.777 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.762 -1.730 5.641 1.00 0.00 H new ATOM 0 HE2 TYR A 67 17.789 1.469 3.681 1.00 0.00 H new ATOM 0 HH TYR A 67 18.367 0.714 5.677 1.00 0.00 H new ATOM 1083 N ASP A 68 16.327 -0.245 -0.496 1.00 0.00 N ATOM 1084 CA ASP A 68 17.668 0.023 -0.999 1.00 0.00 C ATOM 1085 C ASP A 68 18.632 0.317 0.149 1.00 0.00 C ATOM 1086 O ASP A 68 19.224 -0.600 0.719 1.00 0.00 O ATOM 1087 CB ASP A 68 17.644 1.194 -1.985 1.00 0.00 C ATOM 1088 CG ASP A 68 19.011 1.485 -2.574 1.00 0.00 C ATOM 1089 OD1 ASP A 68 19.344 0.896 -3.623 1.00 0.00 O ATOM 1090 OD2 ASP A 68 19.748 2.304 -1.983 1.00 0.00 O ATOM 0 H ASP A 68 15.686 0.546 -0.557 1.00 0.00 H new ATOM 0 HA ASP A 68 18.019 -0.868 -1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.944 0.972 -2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.273 2.085 -1.478 1.00 0.00 H new ATOM 1095 N GLU A 69 18.773 1.598 0.490 1.00 0.00 N ATOM 1096 CA GLU A 69 19.649 2.015 1.582 1.00 0.00 C ATOM 1097 C GLU A 69 19.674 3.534 1.708 1.00 0.00 C ATOM 1098 O GLU A 69 19.743 4.074 2.812 1.00 0.00 O ATOM 1099 CB GLU A 69 21.072 1.493 1.359 1.00 0.00 C ATOM 1100 CG GLU A 69 22.031 1.837 2.487 1.00 0.00 C ATOM 1101 CD GLU A 69 21.613 1.234 3.814 1.00 0.00 C ATOM 1102 OE1 GLU A 69 22.032 0.095 4.108 1.00 0.00 O ATOM 1103 OE2 GLU A 69 20.865 1.901 4.559 1.00 0.00 O ATOM 0 H GLU A 69 18.290 2.366 0.024 1.00 0.00 H new ATOM 0 HA GLU A 69 19.255 1.593 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 69 21.038 0.410 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.459 1.904 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 69 23.030 1.483 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.093 2.921 2.588 1.00 0.00 H new ATOM 1110 N LYS A 70 19.637 4.217 0.569 1.00 0.00 N ATOM 1111 CA LYS A 70 19.774 5.669 0.543 1.00 0.00 C ATOM 1112 C LYS A 70 18.542 6.346 1.137 1.00 0.00 C ATOM 1113 O LYS A 70 18.596 6.897 2.237 1.00 0.00 O ATOM 1114 CB LYS A 70 19.998 6.157 -0.890 1.00 0.00 C ATOM 1115 CG LYS A 70 21.243 5.575 -1.542 1.00 0.00 C ATOM 1116 CD LYS A 70 21.450 6.121 -2.947 1.00 0.00 C ATOM 1117 CE LYS A 70 21.755 7.611 -2.930 1.00 0.00 C ATOM 1118 NZ LYS A 70 21.971 8.149 -4.300 1.00 0.00 N ATOM 0 H LYS A 70 19.513 3.789 -0.348 1.00 0.00 H new ATOM 0 HA LYS A 70 20.639 5.936 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.127 5.899 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.074 7.244 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 70 22.115 5.805 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 70 21.159 4.489 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.269 5.587 -3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.556 5.939 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.931 8.145 -2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.643 7.793 -2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.176 9.167 -4.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.773 7.658 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.115 7.999 -4.871 1.00 0.00 H new ATOM 1132 N GLN A 71 17.435 6.299 0.404 1.00 0.00 N ATOM 1133 CA GLN A 71 16.192 6.913 0.860 1.00 0.00 C ATOM 1134 C GLN A 71 15.092 5.871 1.011 1.00 0.00 C ATOM 1135 O GLN A 71 13.910 6.208 1.100 1.00 0.00 O ATOM 1136 CB GLN A 71 15.749 8.004 -0.118 1.00 0.00 C ATOM 1137 CG GLN A 71 16.768 9.120 -0.288 1.00 0.00 C ATOM 1138 CD GLN A 71 16.311 10.180 -1.270 1.00 0.00 C ATOM 1139 OE1 GLN A 71 15.668 11.159 -0.890 1.00 0.00 O ATOM 1140 NE2 GLN A 71 16.643 9.992 -2.542 1.00 0.00 N ATOM 0 H GLN A 71 17.372 5.843 -0.506 1.00 0.00 H new ATOM 0 HA GLN A 71 16.375 7.362 1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.553 7.551 -1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.809 8.432 0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.958 9.584 0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.712 8.696 -0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.177 9.166 -2.813 1.00 0.00 H new ATOM 0 HE22 GLN A 71 16.364 10.673 -3.248 1.00 0.00 H new ATOM 1149 N GLN A 72 15.491 4.603 1.047 1.00 0.00 N ATOM 1150 CA GLN A 72 14.547 3.501 1.216 1.00 0.00 C ATOM 1151 C GLN A 72 13.443 3.558 0.162 1.00 0.00 C ATOM 1152 O GLN A 72 12.354 3.019 0.361 1.00 0.00 O ATOM 1153 CB GLN A 72 13.931 3.546 2.617 1.00 0.00 C ATOM 1154 CG GLN A 72 14.961 3.635 3.732 1.00 0.00 C ATOM 1155 CD GLN A 72 14.328 3.649 5.110 1.00 0.00 C ATOM 1156 OE1 GLN A 72 13.261 3.075 5.322 1.00 0.00 O ATOM 1157 NE2 GLN A 72 14.984 4.311 6.055 1.00 0.00 N ATOM 0 H GLN A 72 16.465 4.312 0.961 1.00 0.00 H new ATOM 0 HA GLN A 72 15.093 2.566 1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.261 4.403 2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.322 2.654 2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.645 2.789 3.659 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.557 4.538 3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.866 4.773 5.835 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.606 4.358 7.001 1.00 0.00 H new ATOM 1166 N HIS A 73 13.726 4.229 -0.952 1.00 0.00 N ATOM 1167 CA HIS A 73 12.724 4.445 -1.990 1.00 0.00 C ATOM 1168 C HIS A 73 12.703 3.286 -2.982 1.00 0.00 C ATOM 1169 O HIS A 73 11.667 2.987 -3.576 1.00 0.00 O ATOM 1170 CB HIS A 73 12.996 5.761 -2.724 1.00 0.00 C ATOM 1171 CG HIS A 73 14.354 5.832 -3.348 1.00 0.00 C ATOM 1172 ND1 HIS A 73 15.517 5.942 -2.615 1.00 0.00 N ATOM 1173 CD2 HIS A 73 14.735 5.807 -4.648 1.00 0.00 C ATOM 1174 CE1 HIS A 73 16.553 5.983 -3.434 1.00 0.00 C ATOM 1175 NE2 HIS A 73 16.105 5.903 -4.674 1.00 0.00 N ATOM 0 H HIS A 73 14.640 4.632 -1.158 1.00 0.00 H new ATOM 0 HA HIS A 73 11.747 4.500 -1.510 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.242 5.897 -3.499 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.884 6.588 -2.023 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.083 5.727 -5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.589 6.067 -3.140 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.683 5.911 -5.515 1.00 0.00 H new ATOM 1184 N ILE A 74 13.841 2.614 -3.136 1.00 0.00 N ATOM 1185 CA ILE A 74 13.892 1.379 -3.910 1.00 0.00 C ATOM 1186 C ILE A 74 13.701 0.172 -3.002 1.00 0.00 C ATOM 1187 O ILE A 74 14.034 0.220 -1.820 1.00 0.00 O ATOM 1188 CB ILE A 74 15.229 1.229 -4.663 1.00 0.00 C ATOM 1189 CG1 ILE A 74 15.571 2.509 -5.430 1.00 0.00 C ATOM 1190 CG2 ILE A 74 15.168 0.041 -5.613 1.00 0.00 C ATOM 1191 CD1 ILE A 74 14.550 2.880 -6.484 1.00 0.00 C ATOM 0 H ILE A 74 14.735 2.902 -2.737 1.00 0.00 H new ATOM 0 HA ILE A 74 13.084 1.428 -4.640 1.00 0.00 H new ATOM 0 HB ILE A 74 16.016 1.053 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.664 3.332 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.544 2.387 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.118 -0.054 -6.138 1.00 0.00 H new ATOM 0 HG22 ILE A 74 14.975 -0.869 -5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 74 14.367 0.194 -6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.861 3.797 -6.985 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.473 2.075 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.580 3.035 -6.012 1.00 0.00 H new ATOM 1203 N VAL A 75 13.156 -0.908 -3.556 1.00 0.00 N ATOM 1204 CA VAL A 75 12.916 -2.118 -2.778 1.00 0.00 C ATOM 1205 C VAL A 75 13.254 -3.365 -3.579 1.00 0.00 C ATOM 1206 O VAL A 75 12.400 -3.913 -4.277 1.00 0.00 O ATOM 1207 CB VAL A 75 11.450 -2.225 -2.321 1.00 0.00 C ATOM 1208 CG1 VAL A 75 11.348 -3.057 -1.054 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.843 -0.846 -2.130 1.00 0.00 C ATOM 0 H VAL A 75 12.874 -0.969 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 75 13.563 -2.049 -1.904 1.00 0.00 H new ATOM 0 HB VAL A 75 10.879 -2.730 -3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.305 -3.122 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.734 -4.059 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.932 -2.588 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.807 -0.946 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.408 -0.301 -1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.878 -0.299 -3.072 1.00 0.00 H new ATOM 1219 N TYR A 76 14.487 -3.835 -3.451 1.00 0.00 N ATOM 1220 CA TYR A 76 14.863 -5.119 -4.017 1.00 0.00 C ATOM 1221 C TYR A 76 14.386 -6.266 -3.136 1.00 0.00 C ATOM 1222 O TYR A 76 14.980 -6.557 -2.099 1.00 0.00 O ATOM 1223 CB TYR A 76 16.367 -5.186 -4.213 1.00 0.00 C ATOM 1224 CG TYR A 76 16.901 -3.975 -4.925 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.647 -3.764 -6.273 1.00 0.00 C ATOM 1226 CD2 TYR A 76 17.646 -3.038 -4.243 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.137 -2.646 -6.921 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.141 -1.917 -4.876 1.00 0.00 C ATOM 1229 CZ TYR A 76 17.886 -1.726 -6.218 1.00 0.00 C ATOM 1230 OH TYR A 76 18.376 -0.610 -6.857 1.00 0.00 O ATOM 0 H TYR A 76 15.239 -3.348 -2.963 1.00 0.00 H new ATOM 0 HA TYR A 76 14.378 -5.219 -4.988 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.854 -5.279 -3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.618 -6.081 -4.783 1.00 0.00 H new ATOM 0 HD1 TYR A 76 16.058 -4.483 -6.823 1.00 0.00 H new ATOM 0 HD2 TYR A 76 17.846 -3.184 -3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.935 -2.494 -7.971 1.00 0.00 H new ATOM 0 HE2 TYR A 76 18.724 -1.194 -4.325 1.00 0.00 H new ATOM 0 HH TYR A 76 18.881 -0.063 -6.220 1.00 0.00 H new ATOM 1240 N CYS A 77 13.287 -6.892 -3.545 1.00 0.00 N ATOM 1241 CA CYS A 77 12.613 -7.881 -2.707 1.00 0.00 C ATOM 1242 C CYS A 77 12.938 -9.300 -3.157 1.00 0.00 C ATOM 1243 O CYS A 77 12.770 -10.253 -2.397 1.00 0.00 O ATOM 1244 CB CYS A 77 11.101 -7.658 -2.736 1.00 0.00 C ATOM 1245 SG CYS A 77 10.367 -7.786 -4.384 1.00 0.00 S ATOM 0 H CYS A 77 12.844 -6.733 -4.450 1.00 0.00 H new ATOM 0 HA CYS A 77 12.975 -7.756 -1.686 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.624 -8.387 -2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.882 -6.671 -2.328 1.00 0.00 H new ATOM 0 HG CYS A 77 9.085 -7.584 -4.305 1.00 0.00 H new ATOM 1251 N SER A 78 13.403 -9.432 -4.397 1.00 0.00 N ATOM 1252 CA SER A 78 13.732 -10.735 -4.964 1.00 0.00 C ATOM 1253 C SER A 78 12.526 -11.669 -4.945 1.00 0.00 C ATOM 1254 O SER A 78 11.783 -11.762 -5.923 1.00 0.00 O ATOM 1255 CB SER A 78 14.900 -11.363 -4.206 1.00 0.00 C ATOM 1256 OG SER A 78 15.304 -12.582 -4.805 1.00 0.00 O ATOM 0 H SER A 78 13.561 -8.648 -5.030 1.00 0.00 H new ATOM 0 HA SER A 78 14.023 -10.584 -6.004 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.740 -10.668 -4.187 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.611 -11.542 -3.170 1.00 0.00 H new ATOM 0 HG SER A 78 16.054 -12.961 -4.301 1.00 0.00 H new ATOM 1262 N ASN A 79 12.340 -12.355 -3.826 1.00 0.00 N ATOM 1263 CA ASN A 79 11.226 -13.283 -3.671 1.00 0.00 C ATOM 1264 C ASN A 79 10.564 -13.111 -2.305 1.00 0.00 C ATOM 1265 O ASN A 79 10.514 -14.043 -1.503 1.00 0.00 O ATOM 1266 CB ASN A 79 11.709 -14.725 -3.844 1.00 0.00 C ATOM 1267 CG ASN A 79 10.565 -15.721 -3.889 1.00 0.00 C ATOM 1268 OD1 ASN A 79 10.159 -16.263 -2.862 1.00 0.00 O ATOM 1269 ND2 ASN A 79 10.042 -15.966 -5.084 1.00 0.00 N ATOM 0 H ASN A 79 12.947 -12.287 -3.009 1.00 0.00 H new ATOM 0 HA ASN A 79 10.488 -13.062 -4.442 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.290 -14.802 -4.763 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.377 -14.982 -3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.271 -16.627 -5.177 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.411 -15.493 -5.909 1.00 0.00 H new ATOM 1276 N ASP A 80 10.055 -11.909 -2.050 1.00 0.00 N ATOM 1277 CA ASP A 80 9.363 -11.619 -0.799 1.00 0.00 C ATOM 1278 C ASP A 80 7.851 -11.748 -0.973 1.00 0.00 C ATOM 1279 O ASP A 80 7.365 -12.034 -2.071 1.00 0.00 O ATOM 1280 CB ASP A 80 9.716 -10.212 -0.315 1.00 0.00 C ATOM 1281 CG ASP A 80 9.265 -9.959 1.111 1.00 0.00 C ATOM 1282 OD1 ASP A 80 10.009 -10.331 2.042 1.00 0.00 O ATOM 1283 OD2 ASP A 80 8.174 -9.382 1.294 1.00 0.00 O ATOM 0 H ASP A 80 10.109 -11.120 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 80 9.687 -12.344 -0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.794 -10.068 -0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.254 -9.478 -0.975 1.00 0.00 H new ATOM 1288 N LEU A 81 7.106 -11.504 0.099 1.00 0.00 N ATOM 1289 CA LEU A 81 5.660 -11.357 0.002 1.00 0.00 C ATOM 1290 C LEU A 81 5.308 -10.196 -0.924 1.00 0.00 C ATOM 1291 O LEU A 81 4.322 -10.250 -1.661 1.00 0.00 O ATOM 1292 CB LEU A 81 5.046 -11.131 1.388 1.00 0.00 C ATOM 1293 CG LEU A 81 4.963 -12.375 2.281 1.00 0.00 C ATOM 1294 CD1 LEU A 81 4.101 -13.445 1.627 1.00 0.00 C ATOM 1295 CD2 LEU A 81 6.351 -12.918 2.585 1.00 0.00 C ATOM 0 H LEU A 81 7.479 -11.404 1.043 1.00 0.00 H new ATOM 0 HA LEU A 81 5.248 -12.277 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.631 -10.371 1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.041 -10.728 1.260 1.00 0.00 H new ATOM 0 HG LEU A 81 4.499 -12.086 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.054 -14.320 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.095 -13.056 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.536 -13.727 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.266 -13.800 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.848 -13.188 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.935 -12.155 3.100 1.00 0.00 H new ATOM 1307 N LEU A 82 6.144 -9.163 -0.906 1.00 0.00 N ATOM 1308 CA LEU A 82 6.044 -8.081 -1.877 1.00 0.00 C ATOM 1309 C LEU A 82 6.329 -8.593 -3.284 1.00 0.00 C ATOM 1310 O LEU A 82 5.926 -7.982 -4.273 1.00 0.00 O ATOM 1311 CB LEU A 82 7.015 -6.957 -1.520 1.00 0.00 C ATOM 1312 CG LEU A 82 6.562 -6.061 -0.368 1.00 0.00 C ATOM 1313 CD1 LEU A 82 7.698 -5.157 0.081 1.00 0.00 C ATOM 1314 CD2 LEU A 82 5.352 -5.237 -0.785 1.00 0.00 C ATOM 0 H LEU A 82 6.899 -9.053 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 82 5.027 -7.690 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.979 -7.396 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.173 -6.338 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 82 6.276 -6.693 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.358 -4.526 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.537 -5.766 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.015 -4.529 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.040 -4.603 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.614 -4.613 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.535 -5.904 -1.060 1.00 0.00 H new ATOM 1326 N GLY A 83 6.997 -9.737 -3.364 1.00 0.00 N ATOM 1327 CA GLY A 83 7.105 -10.445 -4.624 1.00 0.00 C ATOM 1328 C GLY A 83 5.767 -10.985 -5.085 1.00 0.00 C ATOM 1329 O GLY A 83 5.450 -10.944 -6.274 1.00 0.00 O ATOM 0 H GLY A 83 7.466 -10.187 -2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.507 -9.775 -5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.812 -11.268 -4.519 1.00 0.00 H new ATOM 1333 N ASP A 84 4.968 -11.466 -4.136 1.00 0.00 N ATOM 1334 CA ASP A 84 3.596 -11.872 -4.427 1.00 0.00 C ATOM 1335 C ASP A 84 2.771 -10.685 -4.918 1.00 0.00 C ATOM 1336 O ASP A 84 1.760 -10.859 -5.599 1.00 0.00 O ATOM 1337 CB ASP A 84 2.937 -12.487 -3.187 1.00 0.00 C ATOM 1338 CG ASP A 84 3.670 -13.719 -2.696 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.596 -13.571 -1.870 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.319 -14.834 -3.135 1.00 0.00 O ATOM 0 H ASP A 84 5.246 -11.584 -3.162 1.00 0.00 H new ATOM 0 HA ASP A 84 3.631 -12.624 -5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.905 -11.744 -2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.905 -12.750 -3.420 1.00 0.00 H new ATOM 1345 N LEU A 85 3.215 -9.478 -4.577 1.00 0.00 N ATOM 1346 CA LEU A 85 2.553 -8.263 -5.036 1.00 0.00 C ATOM 1347 C LEU A 85 2.728 -8.079 -6.535 1.00 0.00 C ATOM 1348 O LEU A 85 1.827 -8.372 -7.321 1.00 0.00 O ATOM 1349 CB LEU A 85 3.113 -7.036 -4.316 1.00 0.00 C ATOM 1350 CG LEU A 85 2.752 -6.900 -2.836 1.00 0.00 C ATOM 1351 CD1 LEU A 85 2.222 -5.505 -2.566 1.00 0.00 C ATOM 1352 CD2 LEU A 85 1.735 -7.948 -2.408 1.00 0.00 C ATOM 0 H LEU A 85 4.030 -9.317 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 85 1.492 -8.365 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.199 -7.053 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.765 -6.144 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 85 3.655 -7.064 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.966 -5.411 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.986 -4.770 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.333 -5.330 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.503 -7.820 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.824 -7.833 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.148 -8.944 -2.571 1.00 0.00 H new ATOM 1364 N PHE A 86 3.888 -7.557 -6.914 1.00 0.00 N ATOM 1365 CA PHE A 86 4.128 -7.146 -8.290 1.00 0.00 C ATOM 1366 C PHE A 86 4.715 -8.292 -9.104 1.00 0.00 C ATOM 1367 O PHE A 86 4.307 -8.539 -10.240 1.00 0.00 O ATOM 1368 CB PHE A 86 5.089 -5.954 -8.340 1.00 0.00 C ATOM 1369 CG PHE A 86 4.925 -4.981 -7.208 1.00 0.00 C ATOM 1370 CD1 PHE A 86 5.489 -5.242 -5.969 1.00 0.00 C ATOM 1371 CD2 PHE A 86 4.218 -3.803 -7.384 1.00 0.00 C ATOM 1372 CE1 PHE A 86 5.347 -4.349 -4.926 1.00 0.00 C ATOM 1373 CE2 PHE A 86 4.073 -2.905 -6.345 1.00 0.00 C ATOM 1374 CZ PHE A 86 4.639 -3.180 -5.113 1.00 0.00 C ATOM 0 H PHE A 86 4.678 -7.408 -6.286 1.00 0.00 H new ATOM 0 HA PHE A 86 3.168 -6.856 -8.718 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.113 -6.327 -8.337 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.945 -5.425 -9.282 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.046 -6.155 -5.818 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.775 -3.584 -8.344 1.00 0.00 H new ATOM 0 HE1 PHE A 86 5.790 -4.565 -3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.519 -1.990 -6.494 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.527 -2.480 -4.298 1.00 0.00 H new ATOM 1384 N GLY A 87 5.717 -8.953 -8.531 1.00 0.00 N ATOM 1385 CA GLY A 87 6.564 -9.839 -9.305 1.00 0.00 C ATOM 1386 C GLY A 87 7.891 -9.189 -9.651 1.00 0.00 C ATOM 1387 O GLY A 87 8.648 -9.705 -10.473 1.00 0.00 O ATOM 0 H GLY A 87 5.957 -8.889 -7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.744 -10.755 -8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.049 -10.125 -10.222 1.00 0.00 H new ATOM 1391 N VAL A 88 8.160 -8.045 -9.028 1.00 0.00 N ATOM 1392 CA VAL A 88 9.354 -7.265 -9.331 1.00 0.00 C ATOM 1393 C VAL A 88 10.569 -7.788 -8.572 1.00 0.00 C ATOM 1394 O VAL A 88 10.441 -8.329 -7.476 1.00 0.00 O ATOM 1395 CB VAL A 88 9.163 -5.780 -8.968 1.00 0.00 C ATOM 1396 CG1 VAL A 88 8.034 -5.162 -9.775 1.00 0.00 C ATOM 1397 CG2 VAL A 88 8.907 -5.622 -7.476 1.00 0.00 C ATOM 0 H VAL A 88 7.564 -7.637 -8.308 1.00 0.00 H new ATOM 0 HA VAL A 88 9.521 -7.363 -10.404 1.00 0.00 H new ATOM 0 HB VAL A 88 10.083 -5.251 -9.217 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.921 -4.114 -9.499 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.264 -5.234 -10.838 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.105 -5.694 -9.568 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.775 -4.566 -7.239 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.006 -6.171 -7.201 1.00 0.00 H new ATOM 0 HG23 VAL A 88 9.756 -6.015 -6.917 1.00 0.00 H new ATOM 1407 N PRO A 89 11.774 -7.559 -9.121 1.00 0.00 N ATOM 1408 CA PRO A 89 13.010 -7.587 -8.342 1.00 0.00 C ATOM 1409 C PRO A 89 13.192 -6.312 -7.528 1.00 0.00 C ATOM 1410 O PRO A 89 13.888 -6.302 -6.515 1.00 0.00 O ATOM 1411 CB PRO A 89 14.087 -7.694 -9.418 1.00 0.00 C ATOM 1412 CG PRO A 89 13.511 -6.972 -10.588 1.00 0.00 C ATOM 1413 CD PRO A 89 12.020 -7.192 -10.530 1.00 0.00 C ATOM 0 HA PRO A 89 13.031 -8.399 -7.615 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.022 -7.240 -9.091 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.305 -8.734 -9.660 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.749 -5.909 -10.545 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.924 -7.353 -11.522 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.472 -6.293 -10.811 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.705 -7.983 -11.211 1.00 0.00 H new ATOM 1421 N SER A 90 12.551 -5.237 -7.985 1.00 0.00 N ATOM 1422 CA SER A 90 12.636 -3.940 -7.320 1.00 0.00 C ATOM 1423 C SER A 90 11.357 -3.135 -7.552 1.00 0.00 C ATOM 1424 O SER A 90 10.755 -3.224 -8.623 1.00 0.00 O ATOM 1425 CB SER A 90 13.834 -3.155 -7.850 1.00 0.00 C ATOM 1426 OG SER A 90 13.752 -2.986 -9.255 1.00 0.00 O ATOM 0 H SER A 90 11.964 -5.241 -8.819 1.00 0.00 H new ATOM 0 HA SER A 90 12.760 -4.111 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.877 -2.180 -7.365 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.756 -3.678 -7.597 1.00 0.00 H new ATOM 0 HG SER A 90 14.530 -2.479 -9.569 1.00 0.00 H new ATOM 1432 N PHE A 91 10.963 -2.315 -6.576 1.00 0.00 N ATOM 1433 CA PHE A 91 9.912 -1.329 -6.809 1.00 0.00 C ATOM 1434 C PHE A 91 10.185 -0.034 -6.052 1.00 0.00 C ATOM 1435 O PHE A 91 10.890 -0.026 -5.044 1.00 0.00 O ATOM 1436 CB PHE A 91 8.538 -1.893 -6.433 1.00 0.00 C ATOM 1437 CG PHE A 91 8.324 -2.125 -4.962 1.00 0.00 C ATOM 1438 CD1 PHE A 91 8.640 -3.346 -4.390 1.00 0.00 C ATOM 1439 CD2 PHE A 91 7.781 -1.134 -4.154 1.00 0.00 C ATOM 1440 CE1 PHE A 91 8.427 -3.573 -3.044 1.00 0.00 C ATOM 1441 CE2 PHE A 91 7.563 -1.356 -2.811 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.886 -2.577 -2.253 1.00 0.00 C ATOM 0 H PHE A 91 11.350 -2.314 -5.632 1.00 0.00 H new ATOM 0 HA PHE A 91 9.909 -1.099 -7.875 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.770 -1.208 -6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.394 -2.837 -6.959 1.00 0.00 H new ATOM 0 HD1 PHE A 91 9.058 -4.130 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.526 -0.177 -4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.683 -4.528 -2.610 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.140 -0.576 -2.196 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.716 -2.753 -1.201 1.00 0.00 H new ATOM 1452 N SER A 92 9.646 1.066 -6.573 1.00 0.00 N ATOM 1453 CA SER A 92 9.955 2.392 -6.054 1.00 0.00 C ATOM 1454 C SER A 92 8.785 2.955 -5.256 1.00 0.00 C ATOM 1455 O SER A 92 7.806 3.436 -5.826 1.00 0.00 O ATOM 1456 CB SER A 92 10.306 3.338 -7.202 1.00 0.00 C ATOM 1457 OG SER A 92 9.289 3.346 -8.188 1.00 0.00 O ATOM 0 H SER A 92 8.992 1.063 -7.356 1.00 0.00 H new ATOM 0 HA SER A 92 10.812 2.302 -5.387 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.449 4.347 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.251 3.033 -7.652 1.00 0.00 H new ATOM 0 HG SER A 92 8.416 3.233 -7.758 1.00 0.00 H new ATOM 1463 N VAL A 93 8.907 2.919 -3.934 1.00 0.00 N ATOM 1464 CA VAL A 93 7.931 3.555 -3.057 1.00 0.00 C ATOM 1465 C VAL A 93 7.990 5.073 -3.181 1.00 0.00 C ATOM 1466 O VAL A 93 7.064 5.773 -2.772 1.00 0.00 O ATOM 1467 CB VAL A 93 8.152 3.162 -1.584 1.00 0.00 C ATOM 1468 CG1 VAL A 93 7.446 1.852 -1.267 1.00 0.00 C ATOM 1469 CG2 VAL A 93 9.634 3.070 -1.268 1.00 0.00 C ATOM 0 H VAL A 93 9.673 2.456 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 93 6.949 3.204 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 93 7.721 3.940 -0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.614 1.592 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.376 1.963 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.841 1.062 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.766 2.791 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.096 2.316 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.105 4.036 -1.448 1.00 0.00 H new ATOM 1479 N LYS A 94 9.078 5.577 -3.757 1.00 0.00 N ATOM 1480 CA LYS A 94 9.223 7.008 -3.999 1.00 0.00 C ATOM 1481 C LYS A 94 8.015 7.551 -4.758 1.00 0.00 C ATOM 1482 O LYS A 94 7.567 8.672 -4.514 1.00 0.00 O ATOM 1483 CB LYS A 94 10.503 7.288 -4.788 1.00 0.00 C ATOM 1484 CG LYS A 94 10.742 8.765 -5.061 1.00 0.00 C ATOM 1485 CD LYS A 94 12.023 8.988 -5.846 1.00 0.00 C ATOM 1486 CE LYS A 94 12.256 10.465 -6.125 1.00 0.00 C ATOM 1487 NZ LYS A 94 12.365 11.257 -4.870 1.00 0.00 N ATOM 0 H LYS A 94 9.872 5.015 -4.065 1.00 0.00 H new ATOM 0 HA LYS A 94 9.284 7.512 -3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.354 6.887 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.458 6.755 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.898 9.174 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.794 9.306 -4.116 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.868 8.584 -5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.973 8.442 -6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.168 10.584 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.437 10.854 -6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.754 12.197 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.423 11.362 -4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.995 10.766 -4.204 1.00 0.00 H new ATOM 1501 N GLU A 95 7.482 6.736 -5.660 1.00 0.00 N ATOM 1502 CA GLU A 95 6.252 7.071 -6.366 1.00 0.00 C ATOM 1503 C GLU A 95 5.077 6.265 -5.819 1.00 0.00 C ATOM 1504 O GLU A 95 4.712 5.225 -6.369 1.00 0.00 O ATOM 1505 CB GLU A 95 6.417 6.816 -7.867 1.00 0.00 C ATOM 1506 CG GLU A 95 7.097 5.495 -8.190 1.00 0.00 C ATOM 1507 CD GLU A 95 7.216 5.250 -9.680 1.00 0.00 C ATOM 1508 OE1 GLU A 95 8.239 5.660 -10.270 1.00 0.00 O ATOM 1509 OE2 GLU A 95 6.287 4.648 -10.259 1.00 0.00 O ATOM 0 H GLU A 95 7.884 5.835 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 95 6.044 8.129 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.435 6.835 -8.340 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.997 7.629 -8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.091 5.484 -7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.534 4.680 -7.735 1.00 0.00 H new ATOM 1516 N HIS A 96 4.505 6.742 -4.716 1.00 0.00 N ATOM 1517 CA HIS A 96 3.464 6.001 -4.012 1.00 0.00 C ATOM 1518 C HIS A 96 2.218 5.843 -4.874 1.00 0.00 C ATOM 1519 O HIS A 96 1.479 4.866 -4.737 1.00 0.00 O ATOM 1520 CB HIS A 96 3.105 6.703 -2.701 1.00 0.00 C ATOM 1521 CG HIS A 96 4.244 6.796 -1.736 1.00 0.00 C ATOM 1522 ND1 HIS A 96 5.086 7.887 -1.666 1.00 0.00 N ATOM 1523 CD2 HIS A 96 4.682 5.926 -0.796 1.00 0.00 C ATOM 1524 CE1 HIS A 96 5.990 7.684 -0.724 1.00 0.00 C ATOM 1525 NE2 HIS A 96 5.766 6.501 -0.181 1.00 0.00 N ATOM 0 H HIS A 96 4.745 7.638 -4.291 1.00 0.00 H new ATOM 0 HA HIS A 96 3.854 5.007 -3.792 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.747 7.708 -2.924 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.282 6.169 -2.227 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.257 4.959 -0.572 1.00 0.00 H new ATOM 0 HE1 HIS A 96 6.778 8.369 -0.446 1.00 0.00 H new ATOM 0 HE2 HIS A 96 6.310 6.082 0.573 1.00 0.00 H new ATOM 1534 N ARG A 97 1.989 6.805 -5.760 1.00 0.00 N ATOM 1535 CA ARG A 97 0.831 6.765 -6.643 1.00 0.00 C ATOM 1536 C ARG A 97 0.814 5.477 -7.458 1.00 0.00 C ATOM 1537 O ARG A 97 -0.126 4.686 -7.369 1.00 0.00 O ATOM 1538 CB ARG A 97 0.831 7.976 -7.579 1.00 0.00 C ATOM 1539 CG ARG A 97 0.715 9.307 -6.852 1.00 0.00 C ATOM 1540 CD ARG A 97 0.684 10.473 -7.827 1.00 0.00 C ATOM 1541 NE ARG A 97 0.569 11.757 -7.139 1.00 0.00 N ATOM 1542 CZ ARG A 97 0.381 12.916 -7.765 1.00 0.00 C ATOM 1543 NH1 ARG A 97 0.286 12.950 -9.088 1.00 0.00 N ATOM 1544 NH2 ARG A 97 0.287 14.039 -7.068 1.00 0.00 N ATOM 0 H ARG A 97 2.589 7.620 -5.886 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.066 6.795 -6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.749 7.971 -8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.003 7.882 -8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.191 9.314 -6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.556 9.424 -6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.591 10.465 -8.431 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.156 10.352 -8.511 1.00 0.00 H new ATOM 0 HE ARG A 97 0.637 11.765 -6.121 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.357 12.087 -9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.142 13.839 -9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 97 0.359 14.015 -6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.143 14.927 -7.549 1.00 0.00 H new ATOM 1558 N LYS A 98 1.856 5.275 -8.258 1.00 0.00 N ATOM 1559 CA LYS A 98 1.919 4.125 -9.151 1.00 0.00 C ATOM 1560 C LYS A 98 2.147 2.834 -8.372 1.00 0.00 C ATOM 1561 O LYS A 98 1.602 1.788 -8.720 1.00 0.00 O ATOM 1562 CB LYS A 98 3.028 4.314 -10.187 1.00 0.00 C ATOM 1563 CG LYS A 98 3.104 3.191 -11.210 1.00 0.00 C ATOM 1564 CD LYS A 98 4.199 3.435 -12.239 1.00 0.00 C ATOM 1565 CE LYS A 98 3.786 4.473 -13.272 1.00 0.00 C ATOM 1566 NZ LYS A 98 3.658 5.835 -12.682 1.00 0.00 N ATOM 0 H LYS A 98 2.667 5.892 -8.306 1.00 0.00 H new ATOM 0 HA LYS A 98 0.961 4.049 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.870 5.258 -10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.986 4.390 -9.672 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.290 2.246 -10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.144 3.096 -11.717 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.105 3.767 -11.733 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.440 2.498 -12.742 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.521 4.495 -14.076 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.835 4.181 -13.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.930 6.547 -13.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.673 5.996 -12.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.282 5.915 -11.854 1.00 0.00 H new ATOM 1580 N ILE A 99 2.967 2.909 -7.332 1.00 0.00 N ATOM 1581 CA ILE A 99 3.359 1.720 -6.584 1.00 0.00 C ATOM 1582 C ILE A 99 2.136 1.009 -6.006 1.00 0.00 C ATOM 1583 O ILE A 99 2.077 -0.223 -5.973 1.00 0.00 O ATOM 1584 CB ILE A 99 4.373 2.068 -5.459 1.00 0.00 C ATOM 1585 CG1 ILE A 99 5.197 0.835 -5.077 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.674 2.637 -4.234 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.494 -0.101 -4.115 1.00 0.00 C ATOM 0 H ILE A 99 3.373 3.779 -6.987 1.00 0.00 H new ATOM 0 HA ILE A 99 3.851 1.042 -7.281 1.00 0.00 H new ATOM 0 HB ILE A 99 5.045 2.834 -5.846 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.451 0.285 -5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.136 1.162 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.414 2.869 -3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.140 3.546 -4.509 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.967 1.904 -3.846 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.142 -0.949 -3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.264 0.431 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.569 -0.460 -4.567 1.00 0.00 H new ATOM 1599 N TYR A 100 1.148 1.787 -5.576 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.062 1.223 -4.995 1.00 0.00 C ATOM 1601 C TYR A 100 -1.093 0.878 -6.065 1.00 0.00 C ATOM 1602 O TYR A 100 -1.870 -0.063 -5.906 1.00 0.00 O ATOM 1603 CB TYR A 100 -0.659 2.189 -3.971 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.031 2.059 -2.602 1.00 0.00 C ATOM 1605 CD1 TYR A 100 1.157 1.359 -2.433 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.627 2.622 -1.482 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.735 1.228 -1.190 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.053 2.494 -0.231 1.00 0.00 C ATOM 1609 CZ TYR A 100 1.128 1.795 -0.090 1.00 0.00 C ATOM 1610 OH TYR A 100 1.702 1.664 1.153 1.00 0.00 O ATOM 0 H TYR A 100 1.162 2.806 -5.619 1.00 0.00 H new ATOM 0 HA TYR A 100 0.213 0.296 -4.491 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.533 3.211 -4.327 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.731 2.009 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.635 0.910 -3.291 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.553 3.168 -1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.661 0.683 -1.077 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.527 2.939 0.632 1.00 0.00 H new ATOM 0 HH TYR A 100 1.124 2.081 1.826 1.00 0.00 H new ATOM 1620 N THR A 101 -1.092 1.634 -7.160 1.00 0.00 N ATOM 1621 CA THR A 101 -1.996 1.357 -8.270 1.00 0.00 C ATOM 1622 C THR A 101 -1.651 0.031 -8.941 1.00 0.00 C ATOM 1623 O THR A 101 -2.511 -0.611 -9.543 1.00 0.00 O ATOM 1624 CB THR A 101 -1.970 2.480 -9.323 1.00 0.00 C ATOM 1625 OG1 THR A 101 -0.624 2.736 -9.737 1.00 0.00 O ATOM 1626 CG2 THR A 101 -2.593 3.754 -8.773 1.00 0.00 C ATOM 0 H THR A 101 -0.480 2.437 -7.301 1.00 0.00 H new ATOM 0 HA THR A 101 -3.000 1.299 -7.849 1.00 0.00 H new ATOM 0 HB THR A 101 -2.555 2.154 -10.183 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.031 2.053 -9.361 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.563 4.532 -9.535 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.628 3.561 -8.492 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.035 4.083 -7.896 1.00 0.00 H new ATOM 1634 N MET A 102 -0.394 -0.388 -8.810 1.00 0.00 N ATOM 1635 CA MET A 102 0.011 -1.718 -9.250 1.00 0.00 C ATOM 1636 C MET A 102 -0.410 -2.764 -8.234 1.00 0.00 C ATOM 1637 O MET A 102 -0.958 -3.808 -8.593 1.00 0.00 O ATOM 1638 CB MET A 102 1.525 -1.785 -9.449 1.00 0.00 C ATOM 1639 CG MET A 102 2.070 -0.683 -10.333 1.00 0.00 C ATOM 1640 SD MET A 102 3.861 -0.763 -10.522 1.00 0.00 S ATOM 1641 CE MET A 102 4.385 -0.589 -8.818 1.00 0.00 C ATOM 0 H MET A 102 0.356 0.172 -8.405 1.00 0.00 H new ATOM 0 HA MET A 102 -0.481 -1.920 -10.201 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.013 -1.734 -8.476 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.783 -2.750 -9.885 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.602 -0.746 -11.315 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.796 0.284 -9.911 1.00 0.00 H new ATOM 0 HE1 MET A 102 4.875 0.376 -8.685 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.516 -0.649 -8.162 1.00 0.00 H new ATOM 0 HE3 MET A 102 5.083 -1.388 -8.569 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.144 -2.484 -6.960 1.00 0.00 N ATOM 1652 CA ILE A 103 -0.457 -3.426 -5.898 1.00 0.00 C ATOM 1653 C ILE A 103 -1.920 -3.864 -5.960 1.00 0.00 C ATOM 1654 O ILE A 103 -2.246 -5.015 -5.665 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.162 -2.832 -4.505 1.00 0.00 C ATOM 1656 CG1 ILE A 103 1.342 -2.618 -4.333 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -0.704 -3.740 -3.410 1.00 0.00 C ATOM 1658 CD1 ILE A 103 1.720 -1.959 -3.026 1.00 0.00 C ATOM 0 H ILE A 103 0.286 -1.615 -6.643 1.00 0.00 H new ATOM 0 HA ILE A 103 0.184 -4.294 -6.051 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.662 -1.867 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.847 -3.582 -4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.709 -2.006 -5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.486 -3.304 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.782 -3.847 -3.527 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.232 -4.720 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.803 -1.841 -2.978 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.245 -0.980 -2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.385 -2.580 -2.195 1.00 0.00 H new ATOM 1670 N TYR A 104 -2.799 -2.938 -6.339 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.229 -3.220 -6.390 1.00 0.00 C ATOM 1672 C TYR A 104 -4.695 -3.459 -7.823 1.00 0.00 C ATOM 1673 O TYR A 104 -4.283 -2.757 -8.747 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.023 -2.069 -5.772 1.00 0.00 C ATOM 1675 CG TYR A 104 -4.842 -1.943 -4.278 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -3.740 -1.286 -3.745 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -5.773 -2.483 -3.399 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -3.572 -1.170 -2.379 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -5.612 -2.370 -2.032 1.00 0.00 C ATOM 1680 CZ TYR A 104 -4.510 -1.715 -1.527 1.00 0.00 C ATOM 1681 OH TYR A 104 -4.346 -1.602 -0.167 1.00 0.00 O ATOM 0 H TYR A 104 -2.545 -1.989 -6.614 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.408 -4.128 -5.815 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.721 -1.135 -6.246 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.081 -2.210 -5.991 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -3.003 -0.859 -4.409 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.637 -2.999 -3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -2.711 -0.655 -1.980 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.346 -2.793 -1.362 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.138 -0.672 0.061 1.00 0.00 H new