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 Set 1.1: A 96 HIS : no HD1:sc= -0.0277 X(o=-0.36,f=-0.75) USER MOD Set 1.2: A 100 TYR OH : rot 130:sc= -0.334 USER MOD Set 2.1: A 62 MET CE :methyl -130:sc= -0.287 (180deg=-0.533) USER MOD Set 2.2: A 72 GLN : amide:sc= -4.21! K(o=-4.5!,f=-1.5) USER MOD Single : A 26 THR OG1 : rot 150:sc= -7.77! USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= -0.177 (180deg=-0.291) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 140:sc= -0.181 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -122:sc= 1.33 (180deg=-0.302) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 111:sc= -1.58 USER MOD Single : A 49 THR OG1 : rot -130:sc=-0.00637 USER MOD Single : A 50 MET CE :methyl 174:sc= -3.46! (180deg=-3.62!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.319 USER MOD Single : A 59 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.2) USER MOD Single : A 60 TYR OH : rot 130:sc= -3.75! 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 K(o=0,f=-0.69) USER MOD Single : A 73 HIS : no HD1:sc= -0.57 K(o=-0.57,f=-3.9) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 25:sc= 0.138 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.915 K(o=-0.92,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= -0.031 (180deg=-0.251) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= -0.045 (180deg=-0.372) USER MOD Single : A 101 THR OG1 : rot 64:sc= 1.24 USER MOD Single : A 102 MET CE :methyl -115:sc= -7.04! (180deg=-13.5!) USER MOD Single : A 104 TYR OH : rot 132:sc= -1.17 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -10.769 1.758 -1.798 1.00 0.00 N ATOM 348 CA THR A 26 -10.378 0.480 -1.221 1.00 0.00 C ATOM 349 C THR A 26 -11.534 -0.254 -0.540 1.00 0.00 C ATOM 350 O THR A 26 -12.330 -0.920 -1.199 1.00 0.00 O ATOM 351 CB THR A 26 -9.214 0.663 -0.226 1.00 0.00 C ATOM 352 OG1 THR A 26 -9.000 -0.539 0.517 1.00 0.00 O ATOM 353 CG2 THR A 26 -9.485 1.817 0.727 1.00 0.00 C ATOM 0 HA THR A 26 -10.054 -0.141 -2.056 1.00 0.00 H new ATOM 0 HB THR A 26 -8.317 0.893 -0.800 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.053 -0.609 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.648 1.923 1.417 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.605 2.739 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.397 1.617 1.290 1.00 0.00 H new ATOM 361 N LEU A 27 -11.520 -0.247 0.789 1.00 0.00 N ATOM 362 CA LEU A 27 -11.810 -1.444 1.561 1.00 0.00 C ATOM 363 C LEU A 27 -11.407 -2.683 0.779 1.00 0.00 C ATOM 364 O LEU A 27 -12.249 -3.420 0.268 1.00 0.00 O ATOM 365 CB LEU A 27 -13.278 -1.520 1.972 1.00 0.00 C ATOM 366 CG LEU A 27 -13.502 -2.141 3.356 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.700 -3.422 3.498 1.00 0.00 C ATOM 368 CD2 LEU A 27 -13.096 -1.171 4.448 1.00 0.00 C ATOM 0 H LEU A 27 -11.310 0.577 1.352 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.223 -1.395 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.701 -0.515 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.824 -2.103 1.230 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.564 -2.367 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.870 -3.850 4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.014 -4.134 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.639 -3.203 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.262 -1.630 5.423 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.040 -0.922 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.693 -0.263 4.368 1.00 0.00 H new ATOM 380 N VAL A 28 -10.102 -2.891 0.694 1.00 0.00 N ATOM 381 CA VAL A 28 -9.550 -4.024 -0.025 1.00 0.00 C ATOM 382 C VAL A 28 -9.636 -5.280 0.824 1.00 0.00 C ATOM 383 O VAL A 28 -9.306 -5.266 2.010 1.00 0.00 O ATOM 384 CB VAL A 28 -8.084 -3.773 -0.420 1.00 0.00 C ATOM 385 CG1 VAL A 28 -7.367 -3.025 0.687 1.00 0.00 C ATOM 386 CG2 VAL A 28 -7.378 -5.083 -0.726 1.00 0.00 C ATOM 0 H VAL A 28 -9.402 -2.283 1.119 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.137 -4.157 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.067 -3.162 -1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.330 -2.853 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.860 -2.068 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.394 -3.616 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.343 -4.882 -1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.400 -5.723 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.884 -5.585 -1.551 1.00 0.00 H new ATOM 396 N ARG A 29 -10.122 -6.352 0.222 1.00 0.00 N ATOM 397 CA ARG A 29 -10.497 -7.536 0.976 1.00 0.00 C ATOM 398 C ARG A 29 -10.089 -8.806 0.227 1.00 0.00 C ATOM 399 O ARG A 29 -10.941 -9.586 -0.198 1.00 0.00 O ATOM 400 CB ARG A 29 -12.005 -7.532 1.229 1.00 0.00 C ATOM 401 CG ARG A 29 -12.539 -6.185 1.702 1.00 0.00 C ATOM 402 CD ARG A 29 -14.056 -6.189 1.793 1.00 0.00 C ATOM 403 NE ARG A 29 -14.549 -7.216 2.707 1.00 0.00 N ATOM 404 CZ ARG A 29 -15.831 -7.365 3.028 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.745 -6.557 2.508 1.00 0.00 N ATOM 406 NH2 ARG A 29 -16.199 -8.322 3.868 1.00 0.00 N ATOM 0 H ARG A 29 -10.266 -6.427 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.974 -7.522 1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.520 -7.816 0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.242 -8.290 1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.115 -5.947 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.217 -5.403 1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.401 -5.211 2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.478 -6.354 0.802 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.872 -7.855 3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.465 -5.820 1.861 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.728 -6.673 2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.499 -8.945 4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.183 -8.435 4.113 1.00 0.00 H new ATOM 420 N PRO A 30 -8.775 -9.008 0.027 1.00 0.00 N ATOM 421 CA PRO A 30 -8.254 -10.055 -0.842 1.00 0.00 C ATOM 422 C PRO A 30 -7.926 -11.341 -0.092 1.00 0.00 C ATOM 423 O PRO A 30 -7.791 -11.341 1.133 1.00 0.00 O ATOM 424 CB PRO A 30 -6.979 -9.413 -1.377 1.00 0.00 C ATOM 425 CG PRO A 30 -6.485 -8.555 -0.253 1.00 0.00 C ATOM 426 CD PRO A 30 -7.683 -8.205 0.603 1.00 0.00 C ATOM 0 HA PRO A 30 -8.971 -10.361 -1.604 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.242 -10.167 -1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.179 -8.820 -2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.734 -9.084 0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.010 -7.652 -0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.513 -8.455 1.650 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.906 -7.139 0.562 1.00 0.00 H new ATOM 434 N LYS A 31 -7.766 -12.428 -0.839 1.00 0.00 N ATOM 435 CA LYS A 31 -7.254 -13.676 -0.283 1.00 0.00 C ATOM 436 C LYS A 31 -5.809 -13.499 0.182 1.00 0.00 C ATOM 437 O LYS A 31 -5.146 -12.538 -0.209 1.00 0.00 O ATOM 438 CB LYS A 31 -7.343 -14.800 -1.324 1.00 0.00 C ATOM 439 CG LYS A 31 -6.354 -14.663 -2.473 1.00 0.00 C ATOM 440 CD LYS A 31 -6.741 -13.538 -3.421 1.00 0.00 C ATOM 441 CE LYS A 31 -5.772 -13.433 -4.588 1.00 0.00 C ATOM 442 NZ LYS A 31 -4.379 -13.170 -4.131 1.00 0.00 N ATOM 0 H LYS A 31 -7.984 -12.470 -1.834 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.865 -13.948 0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.175 -15.755 -0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.354 -14.825 -1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.357 -14.475 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.305 -15.602 -3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.749 -13.710 -3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.761 -12.594 -2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.796 -14.358 -5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.092 -12.633 -5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.783 -12.938 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.377 -12.372 -3.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.003 -14.017 -3.658 1.00 0.00 H new ATOM 456 N PRO A 32 -5.302 -14.422 1.025 1.00 0.00 N ATOM 457 CA PRO A 32 -3.934 -14.352 1.549 1.00 0.00 C ATOM 458 C PRO A 32 -2.918 -13.918 0.495 1.00 0.00 C ATOM 459 O PRO A 32 -2.481 -14.722 -0.330 1.00 0.00 O ATOM 460 CB PRO A 32 -3.669 -15.788 1.993 1.00 0.00 C ATOM 461 CG PRO A 32 -5.006 -16.297 2.414 1.00 0.00 C ATOM 462 CD PRO A 32 -6.022 -15.607 1.539 1.00 0.00 C ATOM 0 HA PRO A 32 -3.836 -13.612 2.344 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.254 -16.385 1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.953 -15.825 2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.064 -17.379 2.296 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.190 -16.081 3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.356 -16.254 0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.909 -15.321 2.105 1.00 0.00 H new ATOM 470 N LEU A 33 -2.562 -12.638 0.523 1.00 0.00 N ATOM 471 CA LEU A 33 -1.657 -12.065 -0.468 1.00 0.00 C ATOM 472 C LEU A 33 -1.309 -10.628 -0.097 1.00 0.00 C ATOM 473 O LEU A 33 -0.169 -10.193 -0.251 1.00 0.00 O ATOM 474 CB LEU A 33 -2.299 -12.116 -1.861 1.00 0.00 C ATOM 475 CG LEU A 33 -1.325 -12.080 -3.046 1.00 0.00 C ATOM 476 CD1 LEU A 33 -0.705 -10.700 -3.197 1.00 0.00 C ATOM 477 CD2 LEU A 33 -0.245 -13.142 -2.889 1.00 0.00 C ATOM 0 H LEU A 33 -2.888 -11.974 1.225 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.738 -12.651 -0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.895 -13.026 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.987 -11.276 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.889 -12.298 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.018 -10.700 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.491 -9.965 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.160 -10.444 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.434 -13.099 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.313 -12.961 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.708 -14.128 -2.844 1.00 0.00 H new ATOM 489 N LEU A 34 -2.297 -9.909 0.428 1.00 0.00 N ATOM 490 CA LEU A 34 -2.068 -8.586 0.991 1.00 0.00 C ATOM 491 C LEU A 34 -1.999 -8.677 2.505 1.00 0.00 C ATOM 492 O LEU A 34 -1.614 -7.723 3.181 1.00 0.00 O ATOM 493 CB LEU A 34 -3.192 -7.628 0.581 1.00 0.00 C ATOM 494 CG LEU A 34 -2.997 -6.921 -0.765 1.00 0.00 C ATOM 495 CD1 LEU A 34 -1.835 -5.944 -0.687 1.00 0.00 C ATOM 496 CD2 LEU A 34 -2.781 -7.934 -1.881 1.00 0.00 C ATOM 0 H LEU A 34 -3.266 -10.223 0.474 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.123 -8.202 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.127 -8.187 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.302 -6.871 1.357 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.902 -6.359 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.710 -5.450 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.039 -5.197 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.922 -6.484 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.645 -7.410 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.894 -8.529 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.649 -8.589 -1.951 1.00 0.00 H new ATOM 508 N LEU A 35 -2.410 -9.827 3.029 1.00 0.00 N ATOM 509 CA LEU A 35 -2.579 -9.989 4.464 1.00 0.00 C ATOM 510 C LEU A 35 -1.462 -10.856 5.033 1.00 0.00 C ATOM 511 O LEU A 35 -0.922 -10.567 6.097 1.00 0.00 O ATOM 512 CB LEU A 35 -3.942 -10.616 4.785 1.00 0.00 C ATOM 513 CG LEU A 35 -5.077 -10.292 3.810 1.00 0.00 C ATOM 514 CD1 LEU A 35 -5.069 -8.823 3.438 1.00 0.00 C ATOM 515 CD2 LEU A 35 -4.973 -11.162 2.569 1.00 0.00 C ATOM 0 H LEU A 35 -2.631 -10.658 2.480 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.534 -9.002 4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.821 -11.699 4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.243 -10.293 5.782 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.024 -10.507 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.885 -8.619 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.197 -8.219 4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.119 -8.573 2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.787 -10.920 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.018 -10.979 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.039 -12.212 2.854 1.00 0.00 H new ATOM 527 N LYS A 36 -1.071 -11.877 4.279 1.00 0.00 N ATOM 528 CA LYS A 36 0.223 -12.516 4.486 1.00 0.00 C ATOM 529 C LYS A 36 1.327 -11.469 4.408 1.00 0.00 C ATOM 530 O LYS A 36 2.473 -11.718 4.785 1.00 0.00 O ATOM 531 CB LYS A 36 0.454 -13.599 3.433 1.00 0.00 C ATOM 532 CG LYS A 36 1.662 -14.478 3.717 1.00 0.00 C ATOM 533 CD LYS A 36 1.844 -15.539 2.645 1.00 0.00 C ATOM 534 CE LYS A 36 3.055 -16.413 2.925 1.00 0.00 C ATOM 535 NZ LYS A 36 3.242 -17.457 1.881 1.00 0.00 N ATOM 0 H LYS A 36 -1.627 -12.278 3.524 1.00 0.00 H new ATOM 0 HA LYS A 36 0.236 -12.982 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.435 -14.227 3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.581 -13.126 2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.558 -13.860 3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.544 -14.958 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.950 -16.161 2.592 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.957 -15.059 1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.948 -15.790 2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.941 -16.890 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.078 -18.031 2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.401 -18.068 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.377 -17.002 0.956 1.00 0.00 H new ATOM 549 N LEU A 37 0.954 -10.289 3.926 1.00 0.00 N ATOM 550 CA LEU A 37 1.855 -9.158 3.849 1.00 0.00 C ATOM 551 C LEU A 37 1.791 -8.345 5.141 1.00 0.00 C ATOM 552 O LEU A 37 2.811 -8.084 5.776 1.00 0.00 O ATOM 553 CB LEU A 37 1.467 -8.288 2.646 1.00 0.00 C ATOM 554 CG LEU A 37 2.529 -7.297 2.167 1.00 0.00 C ATOM 555 CD1 LEU A 37 2.922 -6.367 3.295 1.00 0.00 C ATOM 556 CD2 LEU A 37 3.746 -8.028 1.625 1.00 0.00 C ATOM 0 H LEU A 37 0.015 -10.095 3.578 1.00 0.00 H new ATOM 0 HA LEU A 37 2.878 -9.513 3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.210 -8.945 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.566 -7.730 2.901 1.00 0.00 H new ATOM 0 HG LEU A 37 2.106 -6.703 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.679 -5.666 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.045 -5.815 3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.326 -6.950 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.487 -7.302 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.176 -8.650 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.449 -8.656 0.785 1.00 0.00 H new ATOM 568 N LEU A 38 0.584 -7.919 5.499 1.00 0.00 N ATOM 569 CA LEU A 38 0.400 -6.949 6.572 1.00 0.00 C ATOM 570 C LEU A 38 0.262 -7.635 7.928 1.00 0.00 C ATOM 571 O LEU A 38 0.820 -7.178 8.925 1.00 0.00 O ATOM 572 CB LEU A 38 -0.832 -6.089 6.295 1.00 0.00 C ATOM 573 CG LEU A 38 -0.797 -5.295 4.988 1.00 0.00 C ATOM 574 CD1 LEU A 38 -1.919 -4.271 4.958 1.00 0.00 C ATOM 575 CD2 LEU A 38 0.544 -4.611 4.814 1.00 0.00 C ATOM 0 H LEU A 38 -0.283 -8.231 5.061 1.00 0.00 H new ATOM 0 HA LEU A 38 1.286 -6.315 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.710 -6.735 6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.960 -5.390 7.122 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.939 -5.991 4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.879 -3.715 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.879 -4.781 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.805 -3.581 5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.548 -4.052 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.715 -3.928 5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.335 -5.361 4.792 1.00 0.00 H new ATOM 587 N LYS A 39 -0.480 -8.736 7.963 1.00 0.00 N ATOM 588 CA LYS A 39 -0.623 -9.518 9.185 1.00 0.00 C ATOM 589 C LYS A 39 0.735 -10.018 9.667 1.00 0.00 C ATOM 590 O LYS A 39 0.868 -10.497 10.794 1.00 0.00 O ATOM 591 CB LYS A 39 -1.570 -10.696 8.958 1.00 0.00 C ATOM 592 CG LYS A 39 -2.917 -10.283 8.386 1.00 0.00 C ATOM 593 CD LYS A 39 -3.865 -11.465 8.253 1.00 0.00 C ATOM 594 CE LYS A 39 -3.302 -12.538 7.335 1.00 0.00 C ATOM 595 NZ LYS A 39 -4.180 -13.738 7.277 1.00 0.00 N ATOM 0 H LYS A 39 -0.991 -9.106 7.161 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.046 -8.873 9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.098 -11.407 8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.728 -11.214 9.904 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.368 -9.527 9.029 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.771 -9.824 7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.055 -11.892 9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.824 -11.121 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.180 -12.129 6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.311 -12.830 7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.760 -14.445 6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.277 -14.144 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.118 -13.465 6.920 1.00 0.00 H new ATOM 609 N SER A 40 1.746 -9.882 8.813 1.00 0.00 N ATOM 610 CA SER A 40 3.117 -10.206 9.188 1.00 0.00 C ATOM 611 C SER A 40 3.714 -9.115 10.075 1.00 0.00 C ATOM 612 O SER A 40 4.321 -9.407 11.107 1.00 0.00 O ATOM 613 CB SER A 40 3.980 -10.390 7.939 1.00 0.00 C ATOM 614 OG SER A 40 5.316 -10.709 8.283 1.00 0.00 O ATOM 0 H SER A 40 1.640 -9.549 7.855 1.00 0.00 H new ATOM 0 HA SER A 40 3.100 -11.139 9.752 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.562 -11.183 7.318 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.963 -9.477 7.344 1.00 0.00 H new ATOM 0 HG SER A 40 5.658 -11.391 7.668 1.00 0.00 H new ATOM 620 N VAL A 41 3.531 -7.860 9.673 1.00 0.00 N ATOM 621 CA VAL A 41 4.021 -6.728 10.459 1.00 0.00 C ATOM 622 C VAL A 41 3.350 -6.692 11.826 1.00 0.00 C ATOM 623 O VAL A 41 4.012 -6.534 12.852 1.00 0.00 O ATOM 624 CB VAL A 41 3.773 -5.371 9.760 1.00 0.00 C ATOM 625 CG1 VAL A 41 5.056 -4.555 9.702 1.00 0.00 C ATOM 626 CG2 VAL A 41 3.195 -5.561 8.368 1.00 0.00 C ATOM 0 H VAL A 41 3.050 -7.600 8.812 1.00 0.00 H new ATOM 0 HA VAL A 41 5.096 -6.874 10.565 1.00 0.00 H new ATOM 0 HB VAL A 41 3.040 -4.822 10.351 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.860 -3.604 9.207 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.415 -4.370 10.714 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.813 -5.106 9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.033 -4.587 7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.891 -6.140 7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.246 -6.092 8.438 1.00 0.00 H new ATOM 636 N GLY A 42 2.028 -6.823 11.828 1.00 0.00 N ATOM 637 CA GLY A 42 1.271 -6.721 13.059 1.00 0.00 C ATOM 638 C GLY A 42 -0.223 -6.681 12.815 1.00 0.00 C ATOM 639 O GLY A 42 -1.016 -6.891 13.733 1.00 0.00 O ATOM 0 H GLY A 42 1.466 -6.999 10.995 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.509 -7.569 13.700 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.573 -5.821 13.595 1.00 0.00 H new ATOM 643 N ALA A 43 -0.604 -6.405 11.572 1.00 0.00 N ATOM 644 CA ALA A 43 -2.013 -6.316 11.203 1.00 0.00 C ATOM 645 C ALA A 43 -2.773 -7.572 11.620 1.00 0.00 C ATOM 646 O ALA A 43 -2.235 -8.677 11.584 1.00 0.00 O ATOM 647 CB ALA A 43 -2.150 -6.087 9.705 1.00 0.00 C ATOM 0 H ALA A 43 0.044 -6.239 10.802 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.449 -5.469 11.732 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.206 -6.022 9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.650 -5.158 9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.692 -6.917 9.167 1.00 0.00 H new ATOM 653 N GLN A 44 -4.028 -7.392 12.024 1.00 0.00 N ATOM 654 CA GLN A 44 -4.851 -8.508 12.483 1.00 0.00 C ATOM 655 C GLN A 44 -6.320 -8.288 12.129 1.00 0.00 C ATOM 656 O GLN A 44 -7.180 -8.234 13.010 1.00 0.00 O ATOM 657 CB GLN A 44 -4.705 -8.691 13.996 1.00 0.00 C ATOM 658 CG GLN A 44 -3.300 -9.071 14.435 1.00 0.00 C ATOM 659 CD GLN A 44 -3.183 -9.243 15.936 1.00 0.00 C ATOM 660 OE1 GLN A 44 -3.386 -10.335 16.467 1.00 0.00 O ATOM 661 NE2 GLN A 44 -2.852 -8.160 16.632 1.00 0.00 N ATOM 0 H GLN A 44 -4.497 -6.486 12.043 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.504 -9.409 11.978 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.993 -7.765 14.494 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.400 -9.462 14.328 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.009 -9.999 13.943 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.601 -8.303 14.106 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.693 -7.274 16.152 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.757 -8.215 17.646 1.00 0.00 H new ATOM 670 N LYS A 45 -6.606 -8.173 10.834 1.00 0.00 N ATOM 671 CA LYS A 45 -7.981 -8.024 10.366 1.00 0.00 C ATOM 672 C LYS A 45 -8.216 -8.839 9.099 1.00 0.00 C ATOM 673 O LYS A 45 -7.270 -9.251 8.428 1.00 0.00 O ATOM 674 CB LYS A 45 -8.300 -6.551 10.098 1.00 0.00 C ATOM 675 CG LYS A 45 -8.008 -5.637 11.278 1.00 0.00 C ATOM 676 CD LYS A 45 -8.424 -4.202 10.992 1.00 0.00 C ATOM 677 CE LYS A 45 -7.613 -3.597 9.859 1.00 0.00 C ATOM 678 NZ LYS A 45 -8.038 -2.202 9.553 1.00 0.00 N ATOM 0 H LYS A 45 -5.906 -8.180 10.092 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.642 -8.396 11.149 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.722 -6.214 9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.353 -6.459 9.831 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.536 -6.000 12.160 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.943 -5.669 11.508 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.483 -4.174 10.736 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.297 -3.600 11.892 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.556 -3.604 10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.721 -4.213 8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.331 -2.139 8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.836 -1.940 10.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.244 -1.552 9.722 1.00 0.00 H new ATOM 692 N ASP A 46 -9.487 -9.057 8.775 1.00 0.00 N ATOM 693 CA ASP A 46 -9.855 -9.773 7.558 1.00 0.00 C ATOM 694 C ASP A 46 -10.149 -8.797 6.423 1.00 0.00 C ATOM 695 O ASP A 46 -10.295 -9.197 5.269 1.00 0.00 O ATOM 696 CB ASP A 46 -11.074 -10.661 7.814 1.00 0.00 C ATOM 697 CG ASP A 46 -12.276 -9.871 8.291 1.00 0.00 C ATOM 698 OD1 ASP A 46 -12.423 -9.695 9.517 1.00 0.00 O ATOM 699 OD2 ASP A 46 -13.070 -9.426 7.435 1.00 0.00 O ATOM 0 H ASP A 46 -10.279 -8.748 9.338 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.014 -10.401 7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.332 -11.192 6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.820 -11.416 8.558 1.00 0.00 H new ATOM 704 N THR A 47 -10.230 -7.513 6.763 1.00 0.00 N ATOM 705 CA THR A 47 -10.446 -6.470 5.767 1.00 0.00 C ATOM 706 C THR A 47 -9.496 -5.307 5.981 1.00 0.00 C ATOM 707 O THR A 47 -9.165 -4.962 7.116 1.00 0.00 O ATOM 708 CB THR A 47 -11.894 -5.942 5.805 1.00 0.00 C ATOM 709 OG1 THR A 47 -12.222 -5.516 7.133 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.869 -7.019 5.360 1.00 0.00 C ATOM 0 H THR A 47 -10.149 -7.171 7.721 1.00 0.00 H new ATOM 0 HA THR A 47 -10.257 -6.922 4.793 1.00 0.00 H new ATOM 0 HB THR A 47 -11.971 -5.096 5.122 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.142 -5.180 7.151 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.885 -6.626 5.394 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.632 -7.326 4.341 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.790 -7.879 6.025 1.00 0.00 H new ATOM 718 N TYR A 48 -9.054 -4.711 4.883 1.00 0.00 N ATOM 719 CA TYR A 48 -8.079 -3.640 4.952 1.00 0.00 C ATOM 720 C TYR A 48 -8.509 -2.442 4.127 1.00 0.00 C ATOM 721 O TYR A 48 -9.531 -2.472 3.441 1.00 0.00 O ATOM 722 CB TYR A 48 -6.726 -4.135 4.465 1.00 0.00 C ATOM 723 CG TYR A 48 -6.059 -5.080 5.425 1.00 0.00 C ATOM 724 CD1 TYR A 48 -6.294 -6.449 5.368 1.00 0.00 C ATOM 725 CD2 TYR A 48 -5.187 -4.599 6.388 1.00 0.00 C ATOM 726 CE1 TYR A 48 -5.671 -7.313 6.248 1.00 0.00 C ATOM 727 CE2 TYR A 48 -4.560 -5.454 7.271 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.802 -6.810 7.196 1.00 0.00 C ATOM 729 OH TYR A 48 -4.182 -7.665 8.076 1.00 0.00 O ATOM 0 H TYR A 48 -9.355 -4.952 3.939 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.003 -3.327 5.993 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.853 -4.634 3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.073 -3.279 4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.973 -6.843 4.626 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.995 -3.538 6.449 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.862 -8.375 6.195 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.883 -5.064 8.017 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.224 -7.705 7.873 1.00 0.00 H new ATOM 739 N THR A 49 -7.697 -1.399 4.180 1.00 0.00 N ATOM 740 CA THR A 49 -7.890 -0.237 3.328 1.00 0.00 C ATOM 741 C THR A 49 -6.555 0.406 2.980 1.00 0.00 C ATOM 742 O THR A 49 -5.537 0.122 3.608 1.00 0.00 O ATOM 743 CB THR A 49 -8.796 0.813 3.990 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.506 0.912 5.389 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.260 0.470 3.787 1.00 0.00 C ATOM 0 H THR A 49 -6.895 -1.333 4.807 1.00 0.00 H new ATOM 0 HA THR A 49 -8.375 -0.591 2.418 1.00 0.00 H new ATOM 0 HB THR A 49 -8.598 1.775 3.518 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.340 0.853 5.901 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.881 1.228 4.265 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.482 0.439 2.720 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.470 -0.503 4.230 1.00 0.00 H new ATOM 753 N MET A 50 -6.563 1.256 1.963 1.00 0.00 N ATOM 754 CA MET A 50 -5.333 1.821 1.427 1.00 0.00 C ATOM 755 C MET A 50 -4.709 2.820 2.394 1.00 0.00 C ATOM 756 O MET A 50 -3.660 3.392 2.105 1.00 0.00 O ATOM 757 CB MET A 50 -5.600 2.491 0.080 1.00 0.00 C ATOM 758 CG MET A 50 -5.846 1.502 -1.047 1.00 0.00 C ATOM 759 SD MET A 50 -5.681 2.243 -2.683 1.00 0.00 S ATOM 760 CE MET A 50 -4.010 2.876 -2.603 1.00 0.00 C ATOM 0 H MET A 50 -7.411 1.570 1.491 1.00 0.00 H new ATOM 0 HA MET A 50 -4.626 1.003 1.287 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.466 3.147 0.174 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.749 3.122 -0.179 1.00 0.00 H new ATOM 0 HG2 MET A 50 -5.143 0.674 -0.957 1.00 0.00 H new ATOM 0 HG3 MET A 50 -6.847 1.083 -0.943 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.723 3.269 -3.578 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.958 3.673 -1.861 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.330 2.072 -2.321 1.00 0.00 H new ATOM 770 N LYS A 51 -5.339 3.007 3.552 1.00 0.00 N ATOM 771 CA LYS A 51 -4.756 3.827 4.608 1.00 0.00 C ATOM 772 C LYS A 51 -3.947 2.955 5.558 1.00 0.00 C ATOM 773 O LYS A 51 -2.767 3.216 5.814 1.00 0.00 O ATOM 774 CB LYS A 51 -5.849 4.579 5.375 1.00 0.00 C ATOM 775 CG LYS A 51 -6.987 3.693 5.852 1.00 0.00 C ATOM 776 CD LYS A 51 -8.046 4.494 6.593 1.00 0.00 C ATOM 777 CE LYS A 51 -9.191 3.608 7.056 1.00 0.00 C ATOM 778 NZ LYS A 51 -10.238 4.386 7.775 1.00 0.00 N ATOM 0 H LYS A 51 -6.248 2.604 3.781 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.093 4.562 4.151 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.400 5.073 6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.255 5.362 4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.441 3.191 4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.594 2.915 6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.595 4.987 7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.432 5.279 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.636 3.110 6.195 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.804 2.827 7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.001 3.746 8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.819 4.841 8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.625 5.115 7.142 1.00 0.00 H new ATOM 792 N GLU A 52 -4.571 1.879 6.022 1.00 0.00 N ATOM 793 CA GLU A 52 -3.843 0.787 6.641 1.00 0.00 C ATOM 794 C GLU A 52 -2.670 0.384 5.759 1.00 0.00 C ATOM 795 O GLU A 52 -1.516 0.639 6.094 1.00 0.00 O ATOM 796 CB GLU A 52 -4.773 -0.410 6.851 1.00 0.00 C ATOM 797 CG GLU A 52 -4.508 -1.179 8.134 1.00 0.00 C ATOM 798 CD GLU A 52 -4.807 -0.364 9.378 1.00 0.00 C ATOM 799 OE1 GLU A 52 -5.972 -0.369 9.825 1.00 0.00 O ATOM 800 OE2 GLU A 52 -3.875 0.280 9.903 1.00 0.00 O ATOM 0 H GLU A 52 -5.581 1.743 5.979 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.466 1.115 7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.805 -0.059 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.671 -1.089 6.005 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.116 -2.084 8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.465 -1.496 8.154 1.00 0.00 H new ATOM 807 N VAL A 53 -2.983 -0.220 4.616 1.00 0.00 N ATOM 808 CA VAL A 53 -1.970 -0.629 3.648 1.00 0.00 C ATOM 809 C VAL A 53 -0.956 0.482 3.387 1.00 0.00 C ATOM 810 O VAL A 53 0.231 0.212 3.207 1.00 0.00 O ATOM 811 CB VAL A 53 -2.613 -1.048 2.312 1.00 0.00 C ATOM 812 CG1 VAL A 53 -1.549 -1.521 1.332 1.00 0.00 C ATOM 813 CG2 VAL A 53 -3.657 -2.130 2.537 1.00 0.00 C ATOM 0 H VAL A 53 -3.939 -0.439 4.336 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.451 -1.483 4.083 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.111 -0.179 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.022 -1.813 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.841 -0.713 1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.021 -2.376 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.100 -2.413 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.186 -3.002 2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.435 -1.752 3.200 1.00 0.00 H new ATOM 823 N LEU A 54 -1.423 1.732 3.371 1.00 0.00 N ATOM 824 CA LEU A 54 -0.529 2.874 3.190 1.00 0.00 C ATOM 825 C LEU A 54 0.698 2.743 4.084 1.00 0.00 C ATOM 826 O LEU A 54 1.797 2.451 3.609 1.00 0.00 O ATOM 827 CB LEU A 54 -1.256 4.188 3.498 1.00 0.00 C ATOM 828 CG LEU A 54 -0.572 5.457 2.979 1.00 0.00 C ATOM 829 CD1 LEU A 54 -1.560 6.612 2.937 1.00 0.00 C ATOM 830 CD2 LEU A 54 0.626 5.819 3.844 1.00 0.00 C ATOM 0 H LEU A 54 -2.407 1.977 3.480 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.208 2.886 2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.258 4.137 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.372 4.274 4.578 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.217 5.262 1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.059 7.506 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.388 6.359 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.943 6.800 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.095 6.723 3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.296 5.992 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.346 5.001 3.828 1.00 0.00 H new ATOM 842 N PHE A 55 0.510 2.972 5.380 1.00 0.00 N ATOM 843 CA PHE A 55 1.632 3.001 6.310 1.00 0.00 C ATOM 844 C PHE A 55 2.037 1.594 6.738 1.00 0.00 C ATOM 845 O PHE A 55 3.124 1.394 7.276 1.00 0.00 O ATOM 846 CB PHE A 55 1.297 3.853 7.539 1.00 0.00 C ATOM 847 CG PHE A 55 -0.018 3.513 8.187 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.177 2.325 8.882 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.089 4.386 8.103 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.382 2.014 9.480 1.00 0.00 C ATOM 851 CE2 PHE A 55 -2.297 4.081 8.701 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.444 2.894 9.390 1.00 0.00 C ATOM 0 H PHE A 55 -0.401 3.139 5.807 1.00 0.00 H new ATOM 0 HA PHE A 55 2.477 3.453 5.790 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.092 3.737 8.275 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.284 4.903 7.246 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.650 1.635 8.957 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.979 5.316 7.564 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.495 1.084 10.018 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.125 4.771 8.629 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.387 2.653 9.858 1.00 0.00 H new ATOM 862 N TYR A 56 1.158 0.622 6.501 1.00 0.00 N ATOM 863 CA TYR A 56 1.407 -0.752 6.928 1.00 0.00 C ATOM 864 C TYR A 56 2.279 -1.491 5.926 1.00 0.00 C ATOM 865 O TYR A 56 3.374 -1.939 6.258 1.00 0.00 O ATOM 866 CB TYR A 56 0.095 -1.509 7.121 1.00 0.00 C ATOM 867 CG TYR A 56 -0.060 -2.098 8.502 1.00 0.00 C ATOM 868 CD1 TYR A 56 1.039 -2.578 9.203 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.306 -2.171 9.102 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.900 -3.117 10.466 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.459 -2.705 10.365 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.353 -3.179 11.045 1.00 0.00 C ATOM 873 OH TYR A 56 -0.501 -3.711 12.305 1.00 0.00 O ATOM 0 H TYR A 56 0.271 0.760 6.017 1.00 0.00 H new ATOM 0 HA TYR A 56 1.934 -0.705 7.881 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.738 -0.833 6.927 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.034 -2.310 6.384 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.019 -2.529 8.752 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.173 -1.804 8.572 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.764 -3.487 10.998 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.437 -2.752 10.820 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.445 -3.679 12.565 1.00 0.00 H new ATOM 883 N LEU A 57 1.802 -1.604 4.693 1.00 0.00 N ATOM 884 CA LEU A 57 2.629 -2.128 3.619 1.00 0.00 C ATOM 885 C LEU A 57 3.894 -1.293 3.486 1.00 0.00 C ATOM 886 O LEU A 57 4.960 -1.815 3.176 1.00 0.00 O ATOM 887 CB LEU A 57 1.855 -2.152 2.296 1.00 0.00 C ATOM 888 CG LEU A 57 2.678 -2.520 1.056 1.00 0.00 C ATOM 889 CD1 LEU A 57 3.558 -3.730 1.327 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.763 -2.796 -0.125 1.00 0.00 C ATOM 0 H LEU A 57 0.856 -1.342 4.416 1.00 0.00 H new ATOM 0 HA LEU A 57 2.907 -3.154 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.033 -2.862 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.411 -1.169 2.137 1.00 0.00 H new ATOM 0 HG LEU A 57 3.321 -1.674 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.132 -3.971 0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.241 -3.507 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.933 -4.581 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.363 -3.056 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.097 -3.624 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.172 -1.906 -0.343 1.00 0.00 H new ATOM 902 N GLY A 58 3.776 -0.003 3.781 1.00 0.00 N ATOM 903 CA GLY A 58 4.953 0.824 3.943 1.00 0.00 C ATOM 904 C GLY A 58 5.943 0.223 4.921 1.00 0.00 C ATOM 905 O GLY A 58 7.142 0.187 4.650 1.00 0.00 O ATOM 0 H GLY A 58 2.888 0.482 3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.437 0.959 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.655 1.813 4.291 1.00 0.00 H new ATOM 909 N GLN A 59 5.440 -0.274 6.050 1.00 0.00 N ATOM 910 CA GLN A 59 6.282 -0.987 7.004 1.00 0.00 C ATOM 911 C GLN A 59 6.991 -2.153 6.327 1.00 0.00 C ATOM 912 O GLN A 59 8.212 -2.142 6.185 1.00 0.00 O ATOM 913 CB GLN A 59 5.459 -1.508 8.188 1.00 0.00 C ATOM 914 CG GLN A 59 4.681 -0.434 8.927 1.00 0.00 C ATOM 915 CD GLN A 59 5.536 0.759 9.308 1.00 0.00 C ATOM 916 OE1 GLN A 59 6.737 0.625 9.549 1.00 0.00 O ATOM 917 NE2 GLN A 59 4.923 1.936 9.365 1.00 0.00 N ATOM 0 H GLN A 59 4.460 -0.196 6.324 1.00 0.00 H new ATOM 0 HA GLN A 59 7.024 -0.282 7.377 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.761 -2.263 7.826 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.128 -2.004 8.891 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.854 -0.097 8.302 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.245 -0.864 9.828 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.926 2.003 9.158 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.449 2.773 9.616 1.00 0.00 H new ATOM 926 N TYR A 60 6.224 -3.174 5.947 1.00 0.00 N ATOM 927 CA TYR A 60 6.799 -4.457 5.551 1.00 0.00 C ATOM 928 C TYR A 60 7.921 -4.268 4.532 1.00 0.00 C ATOM 929 O TYR A 60 8.927 -4.977 4.570 1.00 0.00 O ATOM 930 CB TYR A 60 5.718 -5.377 4.979 1.00 0.00 C ATOM 931 CG TYR A 60 6.177 -6.807 4.808 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.964 -7.180 3.729 1.00 0.00 C ATOM 933 CD2 TYR A 60 5.829 -7.781 5.734 1.00 0.00 C ATOM 934 CE1 TYR A 60 7.392 -8.485 3.575 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.253 -9.086 5.591 1.00 0.00 C ATOM 936 CZ TYR A 60 7.035 -9.433 4.508 1.00 0.00 C ATOM 937 OH TYR A 60 7.462 -10.733 4.365 1.00 0.00 O ATOM 0 H TYR A 60 5.206 -3.137 5.905 1.00 0.00 H new ATOM 0 HA TYR A 60 7.222 -4.921 6.442 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.849 -5.358 5.637 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.395 -4.989 4.013 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.247 -6.438 2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.216 -7.512 6.581 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.003 -8.760 2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.975 -9.831 6.322 1.00 0.00 H new ATOM 0 HH TYR A 60 7.862 -11.040 5.205 1.00 0.00 H new ATOM 947 N ILE A 61 7.758 -3.297 3.642 1.00 0.00 N ATOM 948 CA ILE A 61 8.820 -2.931 2.712 1.00 0.00 C ATOM 949 C ILE A 61 10.061 -2.469 3.469 1.00 0.00 C ATOM 950 O ILE A 61 11.118 -3.095 3.390 1.00 0.00 O ATOM 951 CB ILE A 61 8.372 -1.809 1.757 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.994 -2.115 1.184 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.377 -1.628 0.630 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.322 -0.900 0.594 1.00 0.00 C ATOM 0 H ILE A 61 6.903 -2.750 3.544 1.00 0.00 H new ATOM 0 HA ILE A 61 9.054 -3.820 2.127 1.00 0.00 H new ATOM 0 HB ILE A 61 8.318 -0.881 2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.088 -2.882 0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.362 -2.528 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.041 -0.831 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.349 -1.367 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.462 -2.557 0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.344 -1.180 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.199 -0.141 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.936 -0.500 -0.213 1.00 0.00 H new ATOM 966 N MET A 62 9.923 -1.369 4.206 1.00 0.00 N ATOM 967 CA MET A 62 11.038 -0.822 4.977 1.00 0.00 C ATOM 968 C MET A 62 10.978 -1.252 6.446 1.00 0.00 C ATOM 969 O MET A 62 11.267 -0.461 7.344 1.00 0.00 O ATOM 970 CB MET A 62 11.052 0.705 4.881 1.00 0.00 C ATOM 971 CG MET A 62 9.782 1.362 5.396 1.00 0.00 C ATOM 972 SD MET A 62 9.833 3.162 5.289 1.00 0.00 S ATOM 973 CE MET A 62 11.185 3.532 6.403 1.00 0.00 C ATOM 0 H MET A 62 9.054 -0.841 4.286 1.00 0.00 H new ATOM 0 HA MET A 62 11.958 -1.220 4.549 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.903 1.088 5.445 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.203 0.993 3.841 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.930 0.993 4.825 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.622 1.069 6.433 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.874 4.302 7.109 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.464 2.631 6.949 1.00 0.00 H new ATOM 0 HE3 MET A 62 12.041 3.889 5.830 1.00 0.00 H new ATOM 983 N THR A 63 10.641 -2.518 6.680 1.00 0.00 N ATOM 984 CA THR A 63 10.756 -3.107 8.014 1.00 0.00 C ATOM 985 C THR A 63 11.194 -4.565 7.928 1.00 0.00 C ATOM 986 O THR A 63 11.762 -5.110 8.873 1.00 0.00 O ATOM 987 CB THR A 63 9.429 -3.020 8.799 1.00 0.00 C ATOM 988 OG1 THR A 63 9.693 -3.075 10.206 1.00 0.00 O ATOM 989 CG2 THR A 63 8.491 -4.153 8.418 1.00 0.00 C ATOM 0 H THR A 63 10.287 -3.155 5.966 1.00 0.00 H new ATOM 0 HA THR A 63 11.511 -2.530 8.548 1.00 0.00 H new ATOM 0 HB THR A 63 8.949 -2.074 8.548 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.848 -3.018 10.700 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.565 -4.066 8.987 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.269 -4.099 7.352 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.965 -5.109 8.641 1.00 0.00 H new ATOM 997 N LYS A 64 10.925 -5.186 6.784 1.00 0.00 N ATOM 998 CA LYS A 64 11.295 -6.577 6.560 1.00 0.00 C ATOM 999 C LYS A 64 12.387 -6.687 5.504 1.00 0.00 C ATOM 1000 O LYS A 64 12.388 -7.615 4.696 1.00 0.00 O ATOM 1001 CB LYS A 64 10.070 -7.384 6.129 1.00 0.00 C ATOM 1002 CG LYS A 64 9.105 -7.670 7.264 1.00 0.00 C ATOM 1003 CD LYS A 64 9.659 -8.725 8.206 1.00 0.00 C ATOM 1004 CE LYS A 64 8.695 -9.019 9.345 1.00 0.00 C ATOM 1005 NZ LYS A 64 9.223 -10.060 10.267 1.00 0.00 N ATOM 0 H LYS A 64 10.451 -4.745 5.996 1.00 0.00 H new ATOM 0 HA LYS A 64 11.680 -6.981 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.544 -6.841 5.344 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.400 -8.328 5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.909 -6.752 7.818 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.151 -8.007 6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.857 -9.642 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.612 -8.386 8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.504 -8.103 9.904 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.740 -9.348 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.536 -10.230 11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.381 -10.942 9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.122 -9.736 10.678 1.00 0.00 H new ATOM 1019 N ARG A 65 13.313 -5.732 5.514 1.00 0.00 N ATOM 1020 CA ARG A 65 14.401 -5.709 4.543 1.00 0.00 C ATOM 1021 C ARG A 65 13.857 -5.605 3.120 1.00 0.00 C ATOM 1022 O ARG A 65 12.722 -5.173 2.914 1.00 0.00 O ATOM 1023 CB ARG A 65 15.267 -6.963 4.685 1.00 0.00 C ATOM 1024 CG ARG A 65 15.887 -7.121 6.063 1.00 0.00 C ATOM 1025 CD ARG A 65 16.691 -8.407 6.169 1.00 0.00 C ATOM 1026 NE ARG A 65 17.285 -8.574 7.492 1.00 0.00 N ATOM 1027 CZ ARG A 65 17.878 -9.694 7.899 1.00 0.00 C ATOM 1028 NH1 ARG A 65 17.953 -10.741 7.089 1.00 0.00 N ATOM 1029 NH2 ARG A 65 18.394 -9.768 9.119 1.00 0.00 N ATOM 0 H ARG A 65 13.331 -4.964 6.185 1.00 0.00 H new ATOM 0 HA ARG A 65 15.015 -4.831 4.742 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.659 -7.841 4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.062 -6.932 3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.533 -6.269 6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.102 -7.119 6.819 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.045 -9.257 5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.479 -8.405 5.416 1.00 0.00 H new ATOM 0 HE ARG A 65 17.243 -7.788 8.141 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.556 -10.690 6.151 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.408 -11.598 7.404 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.337 -8.966 9.747 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.848 -10.627 9.429 1.00 0.00 H new ATOM 1043 N LEU A 66 14.681 -5.995 2.148 1.00 0.00 N ATOM 1044 CA LEU A 66 14.311 -5.944 0.734 1.00 0.00 C ATOM 1045 C LEU A 66 14.339 -4.510 0.215 1.00 0.00 C ATOM 1046 O LEU A 66 14.318 -4.277 -0.992 1.00 0.00 O ATOM 1047 CB LEU A 66 12.923 -6.553 0.500 1.00 0.00 C ATOM 1048 CG LEU A 66 12.845 -8.085 0.562 1.00 0.00 C ATOM 1049 CD1 LEU A 66 13.897 -8.720 -0.336 1.00 0.00 C ATOM 1050 CD2 LEU A 66 12.992 -8.580 1.993 1.00 0.00 C ATOM 0 H LEU A 66 15.621 -6.354 2.318 1.00 0.00 H new ATOM 0 HA LEU A 66 15.045 -6.533 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.238 -6.143 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.565 -6.229 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 66 11.862 -8.384 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.821 -9.806 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.735 -8.403 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.889 -8.407 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.933 -9.668 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.956 -8.263 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.192 -8.164 2.606 1.00 0.00 H new ATOM 1062 N TYR A 67 14.380 -3.554 1.137 1.00 0.00 N ATOM 1063 CA TYR A 67 14.338 -2.140 0.783 1.00 0.00 C ATOM 1064 C TYR A 67 15.575 -1.732 -0.010 1.00 0.00 C ATOM 1065 O TYR A 67 16.398 -2.571 -0.380 1.00 0.00 O ATOM 1066 CB TYR A 67 14.225 -1.293 2.049 1.00 0.00 C ATOM 1067 CG TYR A 67 15.512 -1.200 2.834 1.00 0.00 C ATOM 1068 CD1 TYR A 67 16.112 -2.332 3.375 1.00 0.00 C ATOM 1069 CD2 TYR A 67 16.130 0.027 3.029 1.00 0.00 C ATOM 1070 CE1 TYR A 67 17.292 -2.238 4.090 1.00 0.00 C ATOM 1071 CE2 TYR A 67 17.306 0.129 3.741 1.00 0.00 C ATOM 1072 CZ TYR A 67 17.885 -1.005 4.270 1.00 0.00 C ATOM 1073 OH TYR A 67 19.059 -0.908 4.982 1.00 0.00 O ATOM 0 H TYR A 67 14.443 -3.734 2.139 1.00 0.00 H new ATOM 0 HA TYR A 67 13.464 -1.972 0.154 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.903 -0.288 1.776 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.449 -1.713 2.689 1.00 0.00 H new ATOM 0 HD1 TYR A 67 15.650 -3.298 3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.682 0.918 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 67 17.747 -3.125 4.505 1.00 0.00 H new ATOM 0 HE2 TYR A 67 17.772 1.093 3.884 1.00 0.00 H new ATOM 0 HH TYR A 67 19.345 0.029 5.015 1.00 0.00 H new ATOM 1083 N ASP A 68 15.697 -0.436 -0.266 1.00 0.00 N ATOM 1084 CA ASP A 68 16.824 0.104 -1.016 1.00 0.00 C ATOM 1085 C ASP A 68 18.061 0.195 -0.121 1.00 0.00 C ATOM 1086 O ASP A 68 18.259 -0.640 0.761 1.00 0.00 O ATOM 1087 CB ASP A 68 16.452 1.486 -1.570 1.00 0.00 C ATOM 1088 CG ASP A 68 16.364 2.552 -0.498 1.00 0.00 C ATOM 1089 OD1 ASP A 68 16.714 2.260 0.664 1.00 0.00 O ATOM 1090 OD2 ASP A 68 15.945 3.682 -0.821 1.00 0.00 O ATOM 0 H ASP A 68 15.023 0.266 0.038 1.00 0.00 H new ATOM 0 HA ASP A 68 17.057 -0.560 -1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.193 1.785 -2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.494 1.418 -2.086 1.00 0.00 H new ATOM 1095 N GLU A 69 18.859 1.242 -0.317 1.00 0.00 N ATOM 1096 CA GLU A 69 19.857 1.631 0.671 1.00 0.00 C ATOM 1097 C GLU A 69 20.299 3.076 0.454 1.00 0.00 C ATOM 1098 O GLU A 69 21.447 3.432 0.717 1.00 0.00 O ATOM 1099 CB GLU A 69 21.067 0.696 0.604 1.00 0.00 C ATOM 1100 CG GLU A 69 21.758 0.689 -0.750 1.00 0.00 C ATOM 1101 CD GLU A 69 22.944 -0.255 -0.796 1.00 0.00 C ATOM 1102 OE1 GLU A 69 24.067 0.188 -0.478 1.00 0.00 O ATOM 1103 OE2 GLU A 69 22.747 -1.437 -1.150 1.00 0.00 O ATOM 0 H GLU A 69 18.833 1.833 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 69 19.405 1.552 1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 69 21.786 0.991 1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.746 -0.318 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.040 0.402 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.093 1.699 -0.988 1.00 0.00 H new ATOM 1110 N LYS A 70 19.373 3.905 -0.018 1.00 0.00 N ATOM 1111 CA LYS A 70 19.649 5.322 -0.227 1.00 0.00 C ATOM 1112 C LYS A 70 18.706 6.186 0.605 1.00 0.00 C ATOM 1113 O LYS A 70 19.099 7.235 1.117 1.00 0.00 O ATOM 1114 CB LYS A 70 19.514 5.677 -1.710 1.00 0.00 C ATOM 1115 CG LYS A 70 18.139 5.375 -2.287 1.00 0.00 C ATOM 1116 CD LYS A 70 18.051 5.757 -3.756 1.00 0.00 C ATOM 1117 CE LYS A 70 18.973 4.904 -4.614 1.00 0.00 C ATOM 1118 NZ LYS A 70 18.877 5.262 -6.057 1.00 0.00 N ATOM 0 H LYS A 70 18.425 3.620 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 70 20.672 5.520 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.729 6.737 -1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.265 5.127 -2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 70 17.922 4.313 -2.173 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.380 5.918 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.023 5.643 -4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.312 6.809 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.002 5.029 -4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.720 3.852 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.520 4.658 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.901 5.119 -6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.143 6.259 -6.186 1.00 0.00 H new ATOM 1132 N GLN A 71 17.462 5.738 0.737 1.00 0.00 N ATOM 1133 CA GLN A 71 16.468 6.455 1.531 1.00 0.00 C ATOM 1134 C GLN A 71 15.267 5.564 1.831 1.00 0.00 C ATOM 1135 O GLN A 71 14.188 6.050 2.170 1.00 0.00 O ATOM 1136 CB GLN A 71 16.015 7.719 0.798 1.00 0.00 C ATOM 1137 CG GLN A 71 15.480 7.455 -0.599 1.00 0.00 C ATOM 1138 CD GLN A 71 15.031 8.722 -1.301 1.00 0.00 C ATOM 1139 OE1 GLN A 71 14.592 9.677 -0.662 1.00 0.00 O ATOM 1140 NE2 GLN A 71 15.137 8.734 -2.625 1.00 0.00 N ATOM 0 H GLN A 71 17.117 4.881 0.304 1.00 0.00 H new ATOM 0 HA GLN A 71 16.929 6.740 2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.242 8.212 1.387 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.855 8.411 0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.253 6.969 -1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 71 14.641 6.761 -0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 71 15.507 7.919 -3.114 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.849 9.558 -3.152 1.00 0.00 H new ATOM 1149 N GLN A 72 15.469 4.256 1.701 1.00 0.00 N ATOM 1150 CA GLN A 72 14.410 3.279 1.944 1.00 0.00 C ATOM 1151 C GLN A 72 13.157 3.621 1.142 1.00 0.00 C ATOM 1152 O GLN A 72 12.037 3.322 1.559 1.00 0.00 O ATOM 1153 CB GLN A 72 14.095 3.213 3.437 1.00 0.00 C ATOM 1154 CG GLN A 72 15.336 3.064 4.304 1.00 0.00 C ATOM 1155 CD GLN A 72 15.010 2.712 5.743 1.00 0.00 C ATOM 1156 OE1 GLN A 72 15.733 3.091 6.666 1.00 0.00 O ATOM 1157 NE2 GLN A 72 13.921 1.978 5.943 1.00 0.00 N ATOM 0 H GLN A 72 16.362 3.845 1.427 1.00 0.00 H new ATOM 0 HA GLN A 72 14.758 2.300 1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.561 4.117 3.730 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.426 2.373 3.624 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.977 2.290 3.882 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.903 3.995 4.282 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.350 1.686 5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.655 1.707 6.890 1.00 0.00 H new ATOM 1166 N HIS A 73 13.357 4.240 -0.021 1.00 0.00 N ATOM 1167 CA HIS A 73 12.256 4.563 -0.924 1.00 0.00 C ATOM 1168 C HIS A 73 12.250 3.648 -2.146 1.00 0.00 C ATOM 1169 O HIS A 73 11.220 3.487 -2.796 1.00 0.00 O ATOM 1170 CB HIS A 73 12.336 6.023 -1.368 1.00 0.00 C ATOM 1171 CG HIS A 73 11.755 6.985 -0.379 1.00 0.00 C ATOM 1172 ND1 HIS A 73 12.499 7.596 0.609 1.00 0.00 N ATOM 1173 CD2 HIS A 73 10.488 7.442 -0.229 1.00 0.00 C ATOM 1174 CE1 HIS A 73 11.716 8.388 1.320 1.00 0.00 C ATOM 1175 NE2 HIS A 73 10.492 8.312 0.833 1.00 0.00 N ATOM 0 H HIS A 73 14.275 4.528 -0.360 1.00 0.00 H new ATOM 0 HA HIS A 73 11.326 4.407 -0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.380 6.283 -1.545 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.814 6.134 -2.319 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.634 7.172 -0.833 1.00 0.00 H new ATOM 0 HE1 HIS A 73 12.025 8.995 2.158 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.680 8.818 1.188 1.00 0.00 H new ATOM 1184 N ILE A 74 13.385 3.006 -2.430 1.00 0.00 N ATOM 1185 CA ILE A 74 13.384 1.863 -3.330 1.00 0.00 C ATOM 1186 C ILE A 74 13.371 0.574 -2.522 1.00 0.00 C ATOM 1187 O ILE A 74 13.573 0.598 -1.309 1.00 0.00 O ATOM 1188 CB ILE A 74 14.607 1.863 -4.273 1.00 0.00 C ATOM 1189 CG1 ILE A 74 14.910 3.279 -4.771 1.00 0.00 C ATOM 1190 CG2 ILE A 74 14.369 0.928 -5.450 1.00 0.00 C ATOM 1191 CD1 ILE A 74 13.755 3.932 -5.503 1.00 0.00 C ATOM 0 H ILE A 74 14.300 3.256 -2.054 1.00 0.00 H new ATOM 0 HA ILE A 74 12.488 1.933 -3.946 1.00 0.00 H new ATOM 0 HB ILE A 74 15.470 1.506 -3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.187 3.902 -3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.774 3.243 -5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 74 15.240 0.939 -6.105 1.00 0.00 H new ATOM 0 HG22 ILE A 74 14.204 -0.085 -5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 74 13.492 1.259 -6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.047 4.932 -5.824 1.00 0.00 H new ATOM 0 HD12 ILE A 74 13.491 3.333 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 74 12.895 4.001 -4.837 1.00 0.00 H new ATOM 1203 N VAL A 75 13.118 -0.544 -3.182 1.00 0.00 N ATOM 1204 CA VAL A 75 13.054 -1.825 -2.494 1.00 0.00 C ATOM 1205 C VAL A 75 13.188 -2.983 -3.473 1.00 0.00 C ATOM 1206 O VAL A 75 12.239 -3.342 -4.171 1.00 0.00 O ATOM 1207 CB VAL A 75 11.742 -1.956 -1.701 1.00 0.00 C ATOM 1208 CG1 VAL A 75 10.584 -1.405 -2.509 1.00 0.00 C ATOM 1209 CG2 VAL A 75 11.483 -3.397 -1.288 1.00 0.00 C ATOM 0 H VAL A 75 12.954 -0.592 -4.188 1.00 0.00 H new ATOM 0 HA VAL A 75 13.891 -1.865 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 75 11.838 -1.370 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.662 -1.504 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.763 -0.353 -2.730 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.494 -1.962 -3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.548 -3.453 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.413 -4.023 -2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.302 -3.748 -0.660 1.00 0.00 H new ATOM 1219 N TYR A 76 14.380 -3.562 -3.513 1.00 0.00 N ATOM 1220 CA TYR A 76 14.657 -4.693 -4.382 1.00 0.00 C ATOM 1221 C TYR A 76 14.280 -6.002 -3.696 1.00 0.00 C ATOM 1222 O TYR A 76 14.949 -6.441 -2.761 1.00 0.00 O ATOM 1223 CB TYR A 76 16.135 -4.688 -4.761 1.00 0.00 C ATOM 1224 CG TYR A 76 16.665 -3.295 -5.016 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.284 -2.587 -6.149 1.00 0.00 C ATOM 1226 CD2 TYR A 76 17.536 -2.684 -4.122 1.00 0.00 C ATOM 1227 CE1 TYR A 76 16.759 -1.310 -6.385 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.012 -1.409 -4.351 1.00 0.00 C ATOM 1229 CZ TYR A 76 17.622 -0.727 -5.483 1.00 0.00 C ATOM 1230 OH TYR A 76 18.095 0.545 -5.714 1.00 0.00 O ATOM 0 H TYR A 76 15.175 -3.263 -2.948 1.00 0.00 H new ATOM 0 HA TYR A 76 14.056 -4.606 -5.287 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.713 -5.152 -3.962 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.280 -5.297 -5.654 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.606 -3.041 -6.857 1.00 0.00 H new ATOM 0 HD2 TYR A 76 17.845 -3.215 -3.234 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.455 -0.773 -7.271 1.00 0.00 H new ATOM 0 HE2 TYR A 76 18.687 -0.948 -3.646 1.00 0.00 H new ATOM 0 HH TYR A 76 18.692 0.810 -4.983 1.00 0.00 H new ATOM 1240 N CYS A 77 13.174 -6.593 -4.137 1.00 0.00 N ATOM 1241 CA CYS A 77 12.543 -7.682 -3.399 1.00 0.00 C ATOM 1242 C CYS A 77 12.559 -8.979 -4.202 1.00 0.00 C ATOM 1243 O CYS A 77 11.509 -9.521 -4.549 1.00 0.00 O ATOM 1244 CB CYS A 77 11.104 -7.309 -3.034 1.00 0.00 C ATOM 1245 SG CYS A 77 10.062 -6.897 -4.453 1.00 0.00 S ATOM 0 H CYS A 77 12.696 -6.337 -5.001 1.00 0.00 H new ATOM 0 HA CYS A 77 13.115 -7.843 -2.485 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.651 -8.140 -2.494 1.00 0.00 H new ATOM 0 HB3 CYS A 77 11.123 -6.459 -2.352 1.00 0.00 H new ATOM 0 HG CYS A 77 10.527 -7.481 -5.517 1.00 0.00 H new ATOM 1251 N SER A 78 13.757 -9.482 -4.475 1.00 0.00 N ATOM 1252 CA SER A 78 13.911 -10.780 -5.120 1.00 0.00 C ATOM 1253 C SER A 78 13.504 -11.905 -4.171 1.00 0.00 C ATOM 1254 O SER A 78 14.165 -12.145 -3.161 1.00 0.00 O ATOM 1255 CB SER A 78 15.357 -10.979 -5.578 1.00 0.00 C ATOM 1256 OG SER A 78 15.743 -9.977 -6.500 1.00 0.00 O ATOM 0 H SER A 78 14.636 -9.011 -4.260 1.00 0.00 H new ATOM 0 HA SER A 78 13.257 -10.807 -5.992 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.021 -10.958 -4.714 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.464 -11.961 -6.038 1.00 0.00 H new ATOM 0 HG SER A 78 16.672 -10.126 -6.776 1.00 0.00 H new ATOM 1262 N ASN A 79 12.411 -12.585 -4.505 1.00 0.00 N ATOM 1263 CA ASN A 79 11.902 -13.679 -3.681 1.00 0.00 C ATOM 1264 C ASN A 79 11.518 -13.183 -2.290 1.00 0.00 C ATOM 1265 O ASN A 79 12.191 -13.484 -1.304 1.00 0.00 O ATOM 1266 CB ASN A 79 12.944 -14.797 -3.572 1.00 0.00 C ATOM 1267 CG ASN A 79 13.326 -15.371 -4.924 1.00 0.00 C ATOM 1268 OD1 ASN A 79 14.459 -15.811 -5.124 1.00 0.00 O ATOM 1269 ND2 ASN A 79 12.383 -15.372 -5.858 1.00 0.00 N ATOM 0 H ASN A 79 11.859 -12.398 -5.342 1.00 0.00 H new ATOM 0 HA ASN A 79 11.008 -14.075 -4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.837 -14.410 -3.080 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.552 -15.594 -2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 79 12.584 -15.747 -6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.458 -14.997 -5.649 1.00 0.00 H new ATOM 1276 N ASP A 80 10.429 -12.424 -2.221 1.00 0.00 N ATOM 1277 CA ASP A 80 9.931 -11.910 -0.949 1.00 0.00 C ATOM 1278 C ASP A 80 8.408 -12.002 -0.887 1.00 0.00 C ATOM 1279 O ASP A 80 7.746 -12.180 -1.912 1.00 0.00 O ATOM 1280 CB ASP A 80 10.376 -10.458 -0.754 1.00 0.00 C ATOM 1281 CG ASP A 80 10.025 -9.922 0.620 1.00 0.00 C ATOM 1282 OD1 ASP A 80 10.121 -10.693 1.600 1.00 0.00 O ATOM 1283 OD2 ASP A 80 9.658 -8.733 0.718 1.00 0.00 O ATOM 0 H ASP A 80 9.874 -12.151 -3.032 1.00 0.00 H new ATOM 0 HA ASP A 80 10.347 -12.520 -0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.454 -10.389 -0.903 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.908 -9.833 -1.515 1.00 0.00 H new ATOM 1288 N LEU A 81 7.851 -11.858 0.311 1.00 0.00 N ATOM 1289 CA LEU A 81 6.403 -11.790 0.469 1.00 0.00 C ATOM 1290 C LEU A 81 5.850 -10.551 -0.227 1.00 0.00 C ATOM 1291 O LEU A 81 4.807 -10.610 -0.886 1.00 0.00 O ATOM 1292 CB LEU A 81 6.019 -11.778 1.951 1.00 0.00 C ATOM 1293 CG LEU A 81 6.205 -13.111 2.683 1.00 0.00 C ATOM 1294 CD1 LEU A 81 7.682 -13.429 2.857 1.00 0.00 C ATOM 1295 CD2 LEU A 81 5.501 -13.081 4.032 1.00 0.00 C ATOM 0 H LEU A 81 8.377 -11.786 1.182 1.00 0.00 H new ATOM 0 HA LEU A 81 5.968 -12.676 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.613 -11.017 2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.975 -11.477 2.037 1.00 0.00 H new ATOM 0 HG LEU A 81 5.757 -13.899 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.790 -14.380 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.157 -13.496 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.158 -12.639 3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.644 -14.036 4.538 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.919 -12.281 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.436 -12.905 3.883 1.00 0.00 H new ATOM 1307 N LEU A 82 6.577 -9.443 -0.117 1.00 0.00 N ATOM 1308 CA LEU A 82 6.297 -8.269 -0.932 1.00 0.00 C ATOM 1309 C LEU A 82 6.228 -8.662 -2.404 1.00 0.00 C ATOM 1310 O LEU A 82 5.525 -8.036 -3.196 1.00 0.00 O ATOM 1311 CB LEU A 82 7.382 -7.205 -0.736 1.00 0.00 C ATOM 1312 CG LEU A 82 6.865 -5.777 -0.540 1.00 0.00 C ATOM 1313 CD1 LEU A 82 5.857 -5.418 -1.622 1.00 0.00 C ATOM 1314 CD2 LEU A 82 6.247 -5.622 0.838 1.00 0.00 C ATOM 0 H LEU A 82 7.361 -9.335 0.526 1.00 0.00 H new ATOM 0 HA LEU A 82 5.338 -7.855 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.985 -7.478 0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.044 -7.219 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 82 7.709 -5.092 -0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.502 -4.400 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.332 -5.490 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.014 -6.107 -1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.884 -4.602 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.415 -6.318 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.997 -5.835 1.599 1.00 0.00 H new ATOM 1326 N GLY A 83 6.963 -9.713 -2.755 1.00 0.00 N ATOM 1327 CA GLY A 83 6.947 -10.220 -4.114 1.00 0.00 C ATOM 1328 C GLY A 83 5.635 -10.887 -4.468 1.00 0.00 C ATOM 1329 O GLY A 83 5.143 -10.742 -5.589 1.00 0.00 O ATOM 0 H GLY A 83 7.573 -10.225 -2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.132 -9.399 -4.807 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.760 -10.934 -4.242 1.00 0.00 H new ATOM 1333 N ASP A 84 5.051 -11.605 -3.509 1.00 0.00 N ATOM 1334 CA ASP A 84 3.716 -12.171 -3.690 1.00 0.00 C ATOM 1335 C ASP A 84 2.748 -11.093 -4.160 1.00 0.00 C ATOM 1336 O ASP A 84 1.820 -11.364 -4.920 1.00 0.00 O ATOM 1337 CB ASP A 84 3.204 -12.799 -2.389 1.00 0.00 C ATOM 1338 CG ASP A 84 4.232 -13.701 -1.734 1.00 0.00 C ATOM 1339 OD1 ASP A 84 5.012 -14.343 -2.469 1.00 0.00 O ATOM 1340 OD2 ASP A 84 4.255 -13.767 -0.488 1.00 0.00 O ATOM 0 H ASP A 84 5.478 -11.807 -2.605 1.00 0.00 H new ATOM 0 HA ASP A 84 3.780 -12.952 -4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.924 -12.008 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.302 -13.374 -2.598 1.00 0.00 H new ATOM 1345 N LEU A 85 2.994 -9.862 -3.720 1.00 0.00 N ATOM 1346 CA LEU A 85 2.246 -8.712 -4.211 1.00 0.00 C ATOM 1347 C LEU A 85 2.558 -8.438 -5.674 1.00 0.00 C ATOM 1348 O LEU A 85 1.769 -8.759 -6.562 1.00 0.00 O ATOM 1349 CB LEU A 85 2.573 -7.468 -3.383 1.00 0.00 C ATOM 1350 CG LEU A 85 2.153 -7.542 -1.921 1.00 0.00 C ATOM 1351 CD1 LEU A 85 2.518 -6.257 -1.194 1.00 0.00 C ATOM 1352 CD2 LEU A 85 0.662 -7.809 -1.822 1.00 0.00 C ATOM 0 H LEU A 85 3.705 -9.637 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 85 1.185 -8.944 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.648 -7.291 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.088 -6.606 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 85 2.687 -8.364 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.210 -6.329 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.596 -6.104 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.010 -5.416 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.370 -7.860 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.115 -7.003 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.429 -8.755 -2.310 1.00 0.00 H new ATOM 1364 N PHE A 86 3.701 -7.805 -5.909 1.00 0.00 N ATOM 1365 CA PHE A 86 4.021 -7.276 -7.229 1.00 0.00 C ATOM 1366 C PHE A 86 4.627 -8.353 -8.121 1.00 0.00 C ATOM 1367 O PHE A 86 4.081 -8.687 -9.171 1.00 0.00 O ATOM 1368 CB PHE A 86 4.995 -6.101 -7.115 1.00 0.00 C ATOM 1369 CG PHE A 86 4.497 -4.978 -6.253 1.00 0.00 C ATOM 1370 CD1 PHE A 86 4.412 -5.130 -4.880 1.00 0.00 C ATOM 1371 CD2 PHE A 86 4.118 -3.768 -6.815 1.00 0.00 C ATOM 1372 CE1 PHE A 86 3.957 -4.100 -4.083 1.00 0.00 C ATOM 1373 CE2 PHE A 86 3.662 -2.734 -6.020 1.00 0.00 C ATOM 1374 CZ PHE A 86 3.582 -2.902 -4.653 1.00 0.00 C ATOM 0 H PHE A 86 4.421 -7.646 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 86 3.091 -6.931 -7.680 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.940 -6.464 -6.711 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.202 -5.715 -8.113 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.705 -6.066 -4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.180 -3.633 -7.885 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.895 -4.232 -3.013 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.369 -1.796 -6.468 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.226 -2.095 -4.030 1.00 0.00 H new ATOM 1384 N GLY A 87 5.784 -8.862 -7.709 1.00 0.00 N ATOM 1385 CA GLY A 87 6.574 -9.713 -8.578 1.00 0.00 C ATOM 1386 C GLY A 87 7.803 -9.000 -9.106 1.00 0.00 C ATOM 1387 O GLY A 87 8.673 -9.618 -9.720 1.00 0.00 O ATOM 0 H GLY A 87 6.189 -8.699 -6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.879 -10.605 -8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.960 -10.046 -9.415 1.00 0.00 H new ATOM 1391 N VAL A 88 7.873 -7.695 -8.860 1.00 0.00 N ATOM 1392 CA VAL A 88 9.005 -6.888 -9.299 1.00 0.00 C ATOM 1393 C VAL A 88 10.299 -7.345 -8.635 1.00 0.00 C ATOM 1394 O VAL A 88 10.286 -7.837 -7.507 1.00 0.00 O ATOM 1395 CB VAL A 88 8.796 -5.395 -8.976 1.00 0.00 C ATOM 1396 CG1 VAL A 88 7.567 -4.852 -9.685 1.00 0.00 C ATOM 1397 CG2 VAL A 88 8.687 -5.185 -7.474 1.00 0.00 C ATOM 0 H VAL A 88 7.156 -7.173 -8.357 1.00 0.00 H new ATOM 0 HA VAL A 88 9.077 -7.019 -10.379 1.00 0.00 H new ATOM 0 HB VAL A 88 9.664 -4.844 -9.339 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.442 -3.797 -9.440 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.690 -4.963 -10.762 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.686 -5.406 -9.362 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.540 -4.126 -7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.840 -5.752 -7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 88 9.603 -5.526 -6.991 1.00 0.00 H new ATOM 1407 N PRO A 89 11.443 -7.122 -9.302 1.00 0.00 N ATOM 1408 CA PRO A 89 12.750 -7.141 -8.649 1.00 0.00 C ATOM 1409 C PRO A 89 13.001 -5.864 -7.858 1.00 0.00 C ATOM 1410 O PRO A 89 13.863 -5.822 -6.980 1.00 0.00 O ATOM 1411 CB PRO A 89 13.718 -7.245 -9.823 1.00 0.00 C ATOM 1412 CG PRO A 89 13.024 -6.542 -10.940 1.00 0.00 C ATOM 1413 CD PRO A 89 11.550 -6.780 -10.736 1.00 0.00 C ATOM 0 HA PRO A 89 12.848 -7.952 -7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.675 -6.776 -9.592 1.00 0.00 H new ATOM 0 HB3 PRO A 89 13.925 -8.285 -10.076 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.251 -5.476 -10.930 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.351 -6.928 -11.906 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.964 -5.894 -10.981 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.184 -7.589 -11.369 1.00 0.00 H new ATOM 1421 N SER A 90 12.233 -4.825 -8.177 1.00 0.00 N ATOM 1422 CA SER A 90 12.361 -3.535 -7.507 1.00 0.00 C ATOM 1423 C SER A 90 11.093 -2.704 -7.680 1.00 0.00 C ATOM 1424 O SER A 90 10.488 -2.699 -8.752 1.00 0.00 O ATOM 1425 CB SER A 90 13.555 -2.763 -8.063 1.00 0.00 C ATOM 1426 OG SER A 90 13.462 -2.617 -9.469 1.00 0.00 O ATOM 0 H SER A 90 11.513 -4.853 -8.899 1.00 0.00 H new ATOM 0 HA SER A 90 12.516 -3.724 -6.445 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.605 -1.780 -7.595 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.478 -3.284 -7.809 1.00 0.00 H new ATOM 0 HG SER A 90 14.238 -2.118 -9.798 1.00 0.00 H new ATOM 1432 N PHE A 91 10.718 -1.971 -6.636 1.00 0.00 N ATOM 1433 CA PHE A 91 9.673 -0.960 -6.757 1.00 0.00 C ATOM 1434 C PHE A 91 9.954 0.235 -5.848 1.00 0.00 C ATOM 1435 O PHE A 91 10.886 0.209 -5.043 1.00 0.00 O ATOM 1436 CB PHE A 91 8.299 -1.563 -6.451 1.00 0.00 C ATOM 1437 CG PHE A 91 8.033 -1.861 -4.999 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.479 -0.898 -4.171 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.307 -3.112 -4.471 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.205 -1.173 -2.846 1.00 0.00 C ATOM 1441 CE2 PHE A 91 8.034 -3.396 -3.146 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.481 -2.425 -2.332 1.00 0.00 C ATOM 0 H PHE A 91 11.119 -2.057 -5.702 1.00 0.00 H new ATOM 0 HA PHE A 91 9.670 -0.603 -7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.532 -0.877 -6.810 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.192 -2.487 -7.020 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.258 0.082 -4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.739 -3.875 -5.102 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.776 -0.411 -2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.253 -4.376 -2.747 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.265 -2.645 -1.297 1.00 0.00 H new ATOM 1452 N SER A 92 9.167 1.296 -6.016 1.00 0.00 N ATOM 1453 CA SER A 92 9.453 2.572 -5.368 1.00 0.00 C ATOM 1454 C SER A 92 8.244 3.086 -4.593 1.00 0.00 C ATOM 1455 O SER A 92 7.172 3.293 -5.160 1.00 0.00 O ATOM 1456 CB SER A 92 9.876 3.610 -6.410 1.00 0.00 C ATOM 1457 OG SER A 92 11.078 3.227 -7.055 1.00 0.00 O ATOM 0 H SER A 92 8.327 1.296 -6.595 1.00 0.00 H new ATOM 0 HA SER A 92 10.268 2.411 -4.662 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.085 3.729 -7.150 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.011 4.579 -5.929 1.00 0.00 H new ATOM 0 HG SER A 92 11.325 3.906 -7.717 1.00 0.00 H new ATOM 1463 N VAL A 93 8.437 3.313 -3.298 1.00 0.00 N ATOM 1464 CA VAL A 93 7.409 3.921 -2.460 1.00 0.00 C ATOM 1465 C VAL A 93 7.418 5.440 -2.588 1.00 0.00 C ATOM 1466 O VAL A 93 6.545 6.123 -2.051 1.00 0.00 O ATOM 1467 CB VAL A 93 7.591 3.543 -0.978 1.00 0.00 C ATOM 1468 CG1 VAL A 93 6.787 2.298 -0.640 1.00 0.00 C ATOM 1469 CG2 VAL A 93 9.062 3.344 -0.652 1.00 0.00 C ATOM 0 H VAL A 93 9.300 3.084 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 93 6.452 3.535 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 93 7.217 4.364 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.929 2.047 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.730 2.485 -0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.125 1.467 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 93 9.169 3.078 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.467 2.544 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.607 4.267 -0.849 1.00 0.00 H new ATOM 1479 N LYS A 94 8.406 5.964 -3.306 1.00 0.00 N ATOM 1480 CA LYS A 94 8.505 7.400 -3.539 1.00 0.00 C ATOM 1481 C LYS A 94 7.339 7.891 -4.393 1.00 0.00 C ATOM 1482 O LYS A 94 7.103 9.093 -4.511 1.00 0.00 O ATOM 1483 CB LYS A 94 9.834 7.734 -4.222 1.00 0.00 C ATOM 1484 CG LYS A 94 10.075 9.225 -4.397 1.00 0.00 C ATOM 1485 CD LYS A 94 11.399 9.497 -5.093 1.00 0.00 C ATOM 1486 CE LYS A 94 11.637 10.987 -5.275 1.00 0.00 C ATOM 1487 NZ LYS A 94 11.674 11.709 -3.975 1.00 0.00 N ATOM 0 H LYS A 94 9.150 5.415 -3.737 1.00 0.00 H new ATOM 0 HA LYS A 94 8.464 7.907 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.650 7.310 -3.637 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.860 7.254 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.261 9.661 -4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.068 9.713 -3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.213 9.066 -4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.408 9.005 -6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.578 11.142 -5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.849 11.406 -5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.036 12.673 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.714 11.757 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.298 11.203 -3.314 1.00 0.00 H new ATOM 1501 N GLU A 95 6.618 6.948 -4.990 1.00 0.00 N ATOM 1502 CA GLU A 95 5.511 7.277 -5.881 1.00 0.00 C ATOM 1503 C GLU A 95 4.300 6.389 -5.602 1.00 0.00 C ATOM 1504 O GLU A 95 4.144 5.328 -6.204 1.00 0.00 O ATOM 1505 CB GLU A 95 5.951 7.129 -7.338 1.00 0.00 C ATOM 1506 CG GLU A 95 6.818 5.905 -7.592 1.00 0.00 C ATOM 1507 CD GLU A 95 7.243 5.780 -9.040 1.00 0.00 C ATOM 1508 OE1 GLU A 95 6.503 5.151 -9.824 1.00 0.00 O ATOM 1509 OE2 GLU A 95 8.317 6.313 -9.392 1.00 0.00 O ATOM 0 H GLU A 95 6.781 5.948 -4.873 1.00 0.00 H new ATOM 0 HA GLU A 95 5.220 8.312 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.066 7.075 -7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.502 8.022 -7.635 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.705 5.956 -6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.270 5.009 -7.300 1.00 0.00 H new ATOM 1516 N HIS A 96 3.454 6.828 -4.674 1.00 0.00 N ATOM 1517 CA HIS A 96 2.301 6.038 -4.250 1.00 0.00 C ATOM 1518 C HIS A 96 1.205 6.053 -5.305 1.00 0.00 C ATOM 1519 O HIS A 96 0.265 5.262 -5.246 1.00 0.00 O ATOM 1520 CB HIS A 96 1.757 6.566 -2.921 1.00 0.00 C ATOM 1521 CG HIS A 96 2.789 6.644 -1.840 1.00 0.00 C ATOM 1522 ND1 HIS A 96 3.298 7.834 -1.369 1.00 0.00 N ATOM 1523 CD2 HIS A 96 3.406 5.667 -1.132 1.00 0.00 C ATOM 1524 CE1 HIS A 96 4.184 7.588 -0.419 1.00 0.00 C ATOM 1525 NE2 HIS A 96 4.267 6.281 -0.256 1.00 0.00 N ATOM 0 H HIS A 96 3.545 7.727 -4.201 1.00 0.00 H new ATOM 0 HA HIS A 96 2.631 5.008 -4.118 1.00 0.00 H new ATOM 0 HB2 HIS A 96 1.333 7.558 -3.080 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.943 5.921 -2.589 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.250 4.604 -1.237 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.744 8.330 0.130 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.872 5.804 0.412 1.00 0.00 H new ATOM 1534 N ARG A 97 1.339 6.939 -6.283 1.00 0.00 N ATOM 1535 CA ARG A 97 0.421 6.962 -7.412 1.00 0.00 C ATOM 1536 C ARG A 97 0.447 5.626 -8.147 1.00 0.00 C ATOM 1537 O ARG A 97 -0.527 4.872 -8.120 1.00 0.00 O ATOM 1538 CB ARG A 97 0.784 8.096 -8.373 1.00 0.00 C ATOM 1539 CG ARG A 97 0.750 9.472 -7.729 1.00 0.00 C ATOM 1540 CD ARG A 97 1.144 10.560 -8.714 1.00 0.00 C ATOM 1541 NE ARG A 97 1.132 11.886 -8.102 1.00 0.00 N ATOM 1542 CZ ARG A 97 1.544 12.988 -8.720 1.00 0.00 C ATOM 1543 NH1 ARG A 97 1.998 12.924 -9.965 1.00 0.00 N ATOM 1544 NH2 ARG A 97 1.503 14.156 -8.094 1.00 0.00 N ATOM 0 H ARG A 97 2.071 7.648 -6.317 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.586 7.133 -7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.781 7.916 -8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.094 8.081 -9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.251 9.671 -7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.427 9.491 -6.875 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.140 10.351 -9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.459 10.546 -9.562 1.00 0.00 H new ATOM 0 HE ARG A 97 0.788 11.971 -7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.031 12.027 -10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.314 13.771 -10.437 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.155 14.210 -7.137 1.00 0.00 H new ATOM 0 HH22 ARG A 97 1.820 15.001 -8.570 1.00 0.00 H new ATOM 1558 N LYS A 98 1.566 5.339 -8.802 1.00 0.00 N ATOM 1559 CA LYS A 98 1.692 4.125 -9.596 1.00 0.00 C ATOM 1560 C LYS A 98 1.895 2.904 -8.706 1.00 0.00 C ATOM 1561 O LYS A 98 1.391 1.823 -9.002 1.00 0.00 O ATOM 1562 CB LYS A 98 2.850 4.248 -10.587 1.00 0.00 C ATOM 1563 CG LYS A 98 2.926 3.096 -11.577 1.00 0.00 C ATOM 1564 CD LYS A 98 4.027 3.308 -12.605 1.00 0.00 C ATOM 1565 CE LYS A 98 5.408 3.240 -11.972 1.00 0.00 C ATOM 1566 NZ LYS A 98 5.664 1.920 -11.335 1.00 0.00 N ATOM 0 H LYS A 98 2.397 5.930 -8.798 1.00 0.00 H new ATOM 0 HA LYS A 98 0.763 3.994 -10.152 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.749 5.183 -11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.787 4.303 -10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.105 2.165 -11.039 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.968 2.990 -12.086 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.947 2.551 -13.385 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.894 4.277 -13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.165 3.428 -12.733 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.504 4.028 -11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.685 1.804 -11.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.162 1.870 -10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.324 1.161 -11.960 1.00 0.00 H new ATOM 1580 N ILE A 99 2.649 3.079 -7.624 1.00 0.00 N ATOM 1581 CA ILE A 99 3.018 1.956 -6.767 1.00 0.00 C ATOM 1582 C ILE A 99 1.784 1.331 -6.124 1.00 0.00 C ATOM 1583 O ILE A 99 1.702 0.111 -5.967 1.00 0.00 O ATOM 1584 CB ILE A 99 4.046 2.372 -5.683 1.00 0.00 C ATOM 1585 CG1 ILE A 99 4.994 1.211 -5.382 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.365 2.833 -4.403 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.406 0.178 -4.446 1.00 0.00 C ATOM 0 H ILE A 99 3.015 3.982 -7.321 1.00 0.00 H new ATOM 0 HA ILE A 99 3.493 1.208 -7.402 1.00 0.00 H new ATOM 0 HB ILE A 99 4.616 3.214 -6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.270 0.726 -6.318 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.911 1.605 -4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.121 3.115 -3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.729 3.692 -4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.756 2.022 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.133 -0.616 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.156 0.649 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.505 -0.244 -4.890 1.00 0.00 H new ATOM 1599 N TYR A 100 0.811 2.169 -5.785 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.440 1.685 -5.223 1.00 0.00 C ATOM 1601 C TYR A 100 -1.384 1.205 -6.322 1.00 0.00 C ATOM 1602 O TYR A 100 -2.188 0.299 -6.110 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.101 2.776 -4.382 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.417 2.990 -3.050 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.679 2.218 -2.687 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.862 3.954 -2.156 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.310 2.395 -1.478 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.235 4.139 -0.938 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.850 3.357 -0.603 1.00 0.00 C ATOM 1610 OH TYR A 100 1.479 3.539 0.608 1.00 0.00 O ATOM 0 H TYR A 100 0.866 3.182 -5.890 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.218 0.835 -4.578 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.096 3.712 -4.941 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.145 2.513 -4.210 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.043 1.463 -3.368 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.711 4.569 -2.416 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.161 1.784 -1.215 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.593 4.892 -0.252 1.00 0.00 H new ATOM 0 HH TYR A 100 1.677 4.490 0.734 1.00 0.00 H new ATOM 1620 N THR A 101 -1.259 1.798 -7.506 1.00 0.00 N ATOM 1621 CA THR A 101 -1.993 1.324 -8.674 1.00 0.00 C ATOM 1622 C THR A 101 -1.601 -0.107 -9.025 1.00 0.00 C ATOM 1623 O THR A 101 -2.445 -0.913 -9.416 1.00 0.00 O ATOM 1624 CB THR A 101 -1.755 2.229 -9.899 1.00 0.00 C ATOM 1625 OG1 THR A 101 -2.213 3.558 -9.622 1.00 0.00 O ATOM 1626 CG2 THR A 101 -2.478 1.688 -11.125 1.00 0.00 C ATOM 0 H THR A 101 -0.659 2.604 -7.681 1.00 0.00 H new ATOM 0 HA THR A 101 -3.051 1.355 -8.415 1.00 0.00 H new ATOM 0 HB THR A 101 -0.685 2.246 -10.105 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.686 3.940 -8.889 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.294 2.345 -11.975 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.110 0.688 -11.353 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.549 1.644 -10.926 1.00 0.00 H new ATOM 1634 N MET A 102 -0.317 -0.424 -8.871 1.00 0.00 N ATOM 1635 CA MET A 102 0.161 -1.784 -9.092 1.00 0.00 C ATOM 1636 C MET A 102 -0.413 -2.725 -8.050 1.00 0.00 C ATOM 1637 O MET A 102 -0.850 -3.831 -8.370 1.00 0.00 O ATOM 1638 CB MET A 102 1.689 -1.839 -9.043 1.00 0.00 C ATOM 1639 CG MET A 102 2.360 -0.856 -9.978 1.00 0.00 C ATOM 1640 SD MET A 102 4.154 -1.036 -10.007 1.00 0.00 S ATOM 1641 CE MET A 102 4.573 -0.518 -8.345 1.00 0.00 C ATOM 0 H MET A 102 0.407 0.240 -8.595 1.00 0.00 H new ATOM 0 HA MET A 102 -0.172 -2.098 -10.081 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.019 -1.641 -8.023 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.016 -2.848 -9.294 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.969 -0.995 -10.986 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.106 0.159 -9.674 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.162 0.398 -8.387 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.659 -0.336 -7.779 1.00 0.00 H new ATOM 0 HE3 MET A 102 5.153 -1.300 -7.856 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.402 -2.284 -6.795 1.00 0.00 N ATOM 1652 CA ILE A 103 -0.886 -3.111 -5.701 1.00 0.00 C ATOM 1653 C ILE A 103 -2.294 -3.625 -5.982 1.00 0.00 C ATOM 1654 O ILE A 103 -2.603 -4.791 -5.729 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.896 -2.347 -4.364 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.514 -1.879 -4.007 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.464 -3.226 -3.256 1.00 0.00 C ATOM 1658 CD1 ILE A 103 0.582 -1.068 -2.732 1.00 0.00 C ATOM 0 H ILE A 103 -0.065 -1.363 -6.514 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.197 -3.952 -5.622 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.533 -1.469 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.162 -2.750 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.907 -1.281 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.465 -2.673 -2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.484 -3.515 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.850 -4.120 -3.150 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.614 -0.771 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.039 -0.178 -2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.220 -1.670 -1.898 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.152 -2.742 -6.484 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.563 -3.065 -6.661 1.00 0.00 C ATOM 1672 C TYR A 104 -4.919 -3.199 -8.137 1.00 0.00 C ATOM 1673 O TYR A 104 -4.871 -2.226 -8.890 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.435 -1.991 -6.007 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.145 -1.800 -4.535 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -4.133 -0.949 -4.111 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -5.881 -2.475 -3.571 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -3.862 -0.776 -2.769 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -5.615 -2.307 -2.225 1.00 0.00 C ATOM 1680 CZ TYR A 104 -4.605 -1.458 -1.830 1.00 0.00 C ATOM 1681 OH TYR A 104 -4.337 -1.289 -0.490 1.00 0.00 O ATOM 0 H TYR A 104 -2.895 -1.799 -6.775 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.752 -4.024 -6.179 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.284 -1.044 -6.526 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.484 -2.259 -6.132 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -3.548 -0.413 -4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.674 -3.142 -3.877 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -3.072 -0.110 -2.456 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.196 -2.839 -1.487 1.00 0.00 H new ATOM 0 HH TYR A 104 -5.174 -1.124 -0.007 1.00 0.00 H new