USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=26 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 35:sc= 0.102 USER MOD Single : A 31 LYS NZ :NH3+ -134:sc= -0.0504 (180deg=-0.324) USER MOD Single : A 36 LYS NZ :NH3+ 145:sc= -2.42! (180deg=-4.66!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 170:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= -0.0508 (180deg=-0.293) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -64:sc= -2.57 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.954 USER MOD Single : A 50 MET CE :methyl 155:sc= -0.0932 (180deg=-0.524) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.96! C(o=-2!,f=-7.3!) USER MOD Single : A 60 TYR OH : rot -9:sc= -0.33 USER MOD Single : A 62 MET CE :methyl -120:sc= -1.38 (180deg=-2.05) USER MOD Single : A 63 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 64 LYS NZ :NH3+ 144:sc= -2.7! (180deg=-4.92!) 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= -0.0698 X(o=-0.07,f=-0.11) USER MOD Single : A 72 GLN : amide:sc= -0.794 K(o=-0.79,f=-0.24) USER MOD Single : A 73 HIS : no HD1:sc= -0.83 K(o=-0.83,f=-0.0048) USER MOD Single : A 76 TYR OH : rot 160:sc= 1.24 USER MOD Single : A 77 CYS SG : rot 40:sc= -3.46! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.557 K(o=-0.56,f=-3.7!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -1.18 USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= -0.0342 (180deg=-0.277) USER MOD Single : A 96 HIS : no HD1:sc= -0.577 X(o=-0.58,f=-0.53) USER MOD Single : A 98 LYS NZ :NH3+ 164:sc= -0.0364 (180deg=-0.303) USER MOD Single : A 100 TYR OH : rot 74:sc= -3.48 USER MOD Single : A 101 THR OG1 : rot 47:sc= 1.2 USER MOD Single : A 102 MET CE :methyl -115:sc= -3.5! (180deg=-9.33!) USER MOD Single : A 104 TYR OH : rot 15:sc= -1.6! USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -11.982 3.056 1.626 1.00 0.00 N ATOM 348 CA THR A 26 -12.562 1.779 1.239 1.00 0.00 C ATOM 349 C THR A 26 -12.017 0.661 2.098 1.00 0.00 C ATOM 350 O THR A 26 -10.817 0.391 2.077 1.00 0.00 O ATOM 351 CB THR A 26 -12.261 1.456 -0.234 1.00 0.00 C ATOM 352 OG1 THR A 26 -12.712 2.524 -1.076 1.00 0.00 O ATOM 353 CG2 THR A 26 -12.930 0.156 -0.653 1.00 0.00 C ATOM 0 HA THR A 26 -13.640 1.860 1.379 1.00 0.00 H new ATOM 0 HB THR A 26 -11.182 1.342 -0.342 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.591 3.379 -0.613 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.702 -0.050 -1.699 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.559 -0.660 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.009 0.245 -0.528 1.00 0.00 H new ATOM 361 N LEU A 27 -12.897 -0.016 2.824 1.00 0.00 N ATOM 362 CA LEU A 27 -12.501 -1.213 3.523 1.00 0.00 C ATOM 363 C LEU A 27 -12.300 -2.328 2.518 1.00 0.00 C ATOM 364 O LEU A 27 -13.146 -3.210 2.360 1.00 0.00 O ATOM 365 CB LEU A 27 -13.529 -1.613 4.580 1.00 0.00 C ATOM 366 CG LEU A 27 -12.946 -2.417 5.744 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.251 -3.663 5.231 1.00 0.00 C ATOM 368 CD2 LEU A 27 -11.960 -1.573 6.532 1.00 0.00 C ATOM 0 H LEU A 27 -13.876 0.246 2.939 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.565 -1.020 4.047 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.999 -0.712 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.314 -2.200 4.104 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.767 -2.710 6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.842 -4.224 6.072 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.968 -4.285 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.443 -3.378 4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.555 -2.161 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.147 -1.257 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.469 -0.694 6.929 1.00 0.00 H new ATOM 380 N VAL A 28 -11.180 -2.259 1.824 1.00 0.00 N ATOM 381 CA VAL A 28 -10.869 -3.206 0.776 1.00 0.00 C ATOM 382 C VAL A 28 -10.330 -4.482 1.384 1.00 0.00 C ATOM 383 O VAL A 28 -9.491 -4.450 2.284 1.00 0.00 O ATOM 384 CB VAL A 28 -9.841 -2.638 -0.216 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.986 -1.595 0.471 1.00 0.00 C ATOM 386 CG2 VAL A 28 -8.973 -3.749 -0.789 1.00 0.00 C ATOM 0 H VAL A 28 -10.464 -1.547 1.972 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.789 -3.411 0.229 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.375 -2.169 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.259 -1.196 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.620 -0.786 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.462 -2.050 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.253 -3.324 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.441 -4.249 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.602 -4.470 -1.310 1.00 0.00 H new ATOM 396 N ARG A 29 -10.847 -5.599 0.923 1.00 0.00 N ATOM 397 CA ARG A 29 -10.648 -6.850 1.620 1.00 0.00 C ATOM 398 C ARG A 29 -10.141 -7.924 0.661 1.00 0.00 C ATOM 399 O ARG A 29 -10.914 -8.748 0.173 1.00 0.00 O ATOM 400 CB ARG A 29 -11.956 -7.284 2.280 1.00 0.00 C ATOM 401 CG ARG A 29 -12.706 -6.140 2.952 1.00 0.00 C ATOM 402 CD ARG A 29 -14.058 -6.592 3.478 1.00 0.00 C ATOM 403 NE ARG A 29 -14.797 -5.497 4.101 1.00 0.00 N ATOM 404 CZ ARG A 29 -16.033 -5.618 4.578 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.665 -6.782 4.503 1.00 0.00 N ATOM 406 NH2 ARG A 29 -16.636 -4.575 5.130 1.00 0.00 N ATOM 0 H ARG A 29 -11.406 -5.667 0.072 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.893 -6.710 2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.600 -7.738 1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.742 -8.053 3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.108 -5.745 3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.845 -5.327 2.240 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.646 -7.006 2.659 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.915 -7.392 4.204 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.340 -4.588 4.175 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.203 -7.587 4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.613 -6.872 4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.152 -3.679 5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.584 -4.668 5.496 1.00 0.00 H new ATOM 420 N PRO A 30 -8.834 -7.893 0.346 1.00 0.00 N ATOM 421 CA PRO A 30 -8.262 -8.689 -0.738 1.00 0.00 C ATOM 422 C PRO A 30 -7.927 -10.112 -0.310 1.00 0.00 C ATOM 423 O PRO A 30 -7.722 -10.384 0.874 1.00 0.00 O ATOM 424 CB PRO A 30 -6.989 -7.921 -1.079 1.00 0.00 C ATOM 425 CG PRO A 30 -6.558 -7.320 0.216 1.00 0.00 C ATOM 426 CD PRO A 30 -7.817 -7.049 1.003 1.00 0.00 C ATOM 0 HA PRO A 30 -8.954 -8.808 -1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.223 -8.582 -1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.177 -7.154 -1.830 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.900 -7.999 0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.999 -6.399 0.049 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.696 -7.313 2.054 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.090 -5.994 0.969 1.00 0.00 H new ATOM 434 N LYS A 31 -7.853 -11.012 -1.286 1.00 0.00 N ATOM 435 CA LYS A 31 -7.420 -12.380 -1.034 1.00 0.00 C ATOM 436 C LYS A 31 -6.002 -12.399 -0.468 1.00 0.00 C ATOM 437 O LYS A 31 -5.208 -11.501 -0.743 1.00 0.00 O ATOM 438 CB LYS A 31 -7.478 -13.198 -2.327 1.00 0.00 C ATOM 439 CG LYS A 31 -8.866 -13.265 -2.942 1.00 0.00 C ATOM 440 CD LYS A 31 -8.868 -14.066 -4.236 1.00 0.00 C ATOM 441 CE LYS A 31 -8.050 -13.381 -5.320 1.00 0.00 C ATOM 442 NZ LYS A 31 -8.579 -12.028 -5.645 1.00 0.00 N ATOM 0 H LYS A 31 -8.088 -10.817 -2.259 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.093 -12.825 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.789 -12.765 -3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.131 -14.211 -2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.558 -13.718 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.227 -12.255 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.464 -15.061 -4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.893 -14.198 -4.582 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.014 -13.296 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.052 -13.997 -6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.628 -11.913 -6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.531 -11.921 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.949 -11.304 -5.246 1.00 0.00 H new ATOM 456 N PRO A 32 -5.672 -13.420 0.344 1.00 0.00 N ATOM 457 CA PRO A 32 -4.370 -13.507 1.015 1.00 0.00 C ATOM 458 C PRO A 32 -3.208 -13.480 0.029 1.00 0.00 C ATOM 459 O PRO A 32 -2.841 -14.507 -0.543 1.00 0.00 O ATOM 460 CB PRO A 32 -4.422 -14.857 1.746 1.00 0.00 C ATOM 461 CG PRO A 32 -5.553 -15.603 1.121 1.00 0.00 C ATOM 462 CD PRO A 32 -6.537 -14.561 0.680 1.00 0.00 C ATOM 0 HA PRO A 32 -4.202 -12.659 1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.484 -15.400 1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.585 -14.719 2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.209 -16.198 0.275 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.007 -16.293 1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.121 -14.893 -0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.245 -14.313 1.470 1.00 0.00 H new ATOM 470 N LEU A 33 -2.629 -12.298 -0.162 1.00 0.00 N ATOM 471 CA LEU A 33 -1.488 -12.140 -1.056 1.00 0.00 C ATOM 472 C LEU A 33 -0.613 -10.977 -0.613 1.00 0.00 C ATOM 473 O LEU A 33 0.574 -10.919 -0.935 1.00 0.00 O ATOM 474 CB LEU A 33 -1.957 -11.914 -2.494 1.00 0.00 C ATOM 475 CG LEU A 33 -0.925 -12.248 -3.572 1.00 0.00 C ATOM 476 CD1 LEU A 33 -0.547 -13.721 -3.514 1.00 0.00 C ATOM 477 CD2 LEU A 33 -1.459 -11.889 -4.952 1.00 0.00 C ATOM 0 H LEU A 33 -2.932 -11.436 0.291 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.901 -13.058 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.849 -12.516 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.250 -10.870 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.029 -11.656 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.188 -13.939 -4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.122 -13.949 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.436 -14.331 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.711 -12.134 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.370 -12.454 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.678 -10.822 -4.991 1.00 0.00 H new ATOM 489 N LEU A 34 -1.207 -10.051 0.131 1.00 0.00 N ATOM 490 CA LEU A 34 -0.491 -8.893 0.622 1.00 0.00 C ATOM 491 C LEU A 34 -0.768 -8.724 2.104 1.00 0.00 C ATOM 492 O LEU A 34 -0.364 -7.742 2.719 1.00 0.00 O ATOM 493 CB LEU A 34 -0.924 -7.642 -0.143 1.00 0.00 C ATOM 494 CG LEU A 34 -2.310 -7.111 0.221 1.00 0.00 C ATOM 495 CD1 LEU A 34 -2.192 -5.968 1.218 1.00 0.00 C ATOM 496 CD2 LEU A 34 -3.057 -6.668 -1.025 1.00 0.00 C ATOM 0 H LEU A 34 -2.189 -10.086 0.405 1.00 0.00 H new ATOM 0 HA LEU A 34 0.579 -9.037 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.192 -6.854 0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.904 -7.862 -1.210 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.880 -7.915 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.187 -5.599 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.698 -6.324 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.606 -5.161 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.041 -6.293 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.496 -5.878 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.170 -7.515 -1.702 1.00 0.00 H new ATOM 508 N LEU A 35 -1.479 -9.694 2.665 1.00 0.00 N ATOM 509 CA LEU A 35 -1.863 -9.636 4.060 1.00 0.00 C ATOM 510 C LEU A 35 -0.993 -10.571 4.890 1.00 0.00 C ATOM 511 O LEU A 35 -0.670 -10.279 6.035 1.00 0.00 O ATOM 512 CB LEU A 35 -3.337 -10.000 4.225 1.00 0.00 C ATOM 513 CG LEU A 35 -4.273 -9.345 3.211 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.329 -10.171 1.937 1.00 0.00 C ATOM 515 CD2 LEU A 35 -5.662 -9.179 3.805 1.00 0.00 C ATOM 0 H LEU A 35 -1.799 -10.528 2.172 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.716 -8.616 4.415 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.441 -11.082 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.657 -9.719 5.229 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.886 -8.357 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.000 -9.693 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.331 -10.243 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.697 -11.171 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.318 -8.711 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.061 -10.156 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.605 -8.550 4.694 1.00 0.00 H new ATOM 527 N LYS A 36 -0.544 -11.657 4.269 1.00 0.00 N ATOM 528 CA LYS A 36 0.659 -12.336 4.721 1.00 0.00 C ATOM 529 C LYS A 36 1.842 -11.380 4.646 1.00 0.00 C ATOM 530 O LYS A 36 2.905 -11.630 5.212 1.00 0.00 O ATOM 531 CB LYS A 36 0.926 -13.572 3.862 1.00 0.00 C ATOM 532 CG LYS A 36 -0.114 -14.670 4.031 1.00 0.00 C ATOM 533 CD LYS A 36 -0.134 -15.221 5.450 1.00 0.00 C ATOM 534 CE LYS A 36 1.038 -16.155 5.713 1.00 0.00 C ATOM 535 NZ LYS A 36 2.342 -15.439 5.709 1.00 0.00 N ATOM 0 H LYS A 36 -0.993 -12.081 3.457 1.00 0.00 H new ATOM 0 HA LYS A 36 0.520 -12.657 5.753 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.961 -13.275 2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.908 -13.972 4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.100 -14.278 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.095 -15.479 3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.106 -14.395 6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.069 -15.755 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.899 -16.647 6.676 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.053 -16.938 4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.977 -15.870 6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.773 -15.507 4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.189 -14.438 5.948 1.00 0.00 H new ATOM 549 N LEU A 37 1.626 -10.274 3.941 1.00 0.00 N ATOM 550 CA LEU A 37 2.621 -9.224 3.812 1.00 0.00 C ATOM 551 C LEU A 37 2.483 -8.221 4.959 1.00 0.00 C ATOM 552 O LEU A 37 3.471 -7.650 5.422 1.00 0.00 O ATOM 553 CB LEU A 37 2.435 -8.528 2.454 1.00 0.00 C ATOM 554 CG LEU A 37 3.499 -7.501 2.063 1.00 0.00 C ATOM 555 CD1 LEU A 37 3.308 -6.223 2.855 1.00 0.00 C ATOM 556 CD2 LEU A 37 4.898 -8.058 2.266 1.00 0.00 C ATOM 0 H LEU A 37 0.755 -10.084 3.445 1.00 0.00 H new ATOM 0 HA LEU A 37 3.621 -9.654 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.399 -9.294 1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.465 -8.031 2.455 1.00 0.00 H new ATOM 0 HG LEU A 37 3.384 -7.275 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.071 -5.500 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.321 -5.810 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.395 -6.439 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.634 -7.306 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.036 -8.321 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.029 -8.947 1.649 1.00 0.00 H new ATOM 568 N LEU A 38 1.245 -8.003 5.399 1.00 0.00 N ATOM 569 CA LEU A 38 0.948 -6.968 6.386 1.00 0.00 C ATOM 570 C LEU A 38 0.791 -7.562 7.784 1.00 0.00 C ATOM 571 O LEU A 38 1.427 -7.113 8.734 1.00 0.00 O ATOM 572 CB LEU A 38 -0.322 -6.215 5.990 1.00 0.00 C ATOM 573 CG LEU A 38 -0.259 -5.501 4.640 1.00 0.00 C ATOM 574 CD1 LEU A 38 -1.498 -4.651 4.426 1.00 0.00 C ATOM 575 CD2 LEU A 38 0.990 -4.647 4.548 1.00 0.00 C ATOM 0 H LEU A 38 0.430 -8.531 5.086 1.00 0.00 H new ATOM 0 HA LEU A 38 1.787 -6.273 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.153 -6.920 5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.545 -5.479 6.763 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.220 -6.257 3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.434 -4.151 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.383 -5.286 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.568 -3.904 5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.018 -4.146 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.980 -3.901 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.872 -5.279 4.655 1.00 0.00 H new ATOM 587 N LYS A 39 -0.044 -8.587 7.900 1.00 0.00 N ATOM 588 CA LYS A 39 -0.134 -9.361 9.133 1.00 0.00 C ATOM 589 C LYS A 39 1.252 -9.827 9.577 1.00 0.00 C ATOM 590 O LYS A 39 1.459 -10.172 10.739 1.00 0.00 O ATOM 591 CB LYS A 39 -1.058 -10.565 8.944 1.00 0.00 C ATOM 592 CG LYS A 39 -2.485 -10.185 8.578 1.00 0.00 C ATOM 593 CD LYS A 39 -3.369 -11.411 8.422 1.00 0.00 C ATOM 594 CE LYS A 39 -2.953 -12.254 7.226 1.00 0.00 C ATOM 595 NZ LYS A 39 -3.826 -13.449 7.058 1.00 0.00 N ATOM 0 H LYS A 39 -0.668 -8.902 7.157 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.551 -8.719 9.909 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.650 -11.207 8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.071 -11.151 9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.898 -9.534 9.349 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.483 -9.616 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.318 -12.014 9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.407 -11.099 8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.992 -11.646 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.919 -12.575 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.510 -13.997 6.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.769 -14.043 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.809 -13.143 6.914 1.00 0.00 H new ATOM 609 N SER A 40 2.201 -9.809 8.643 1.00 0.00 N ATOM 610 CA SER A 40 3.597 -10.082 8.965 1.00 0.00 C ATOM 611 C SER A 40 4.187 -8.965 9.822 1.00 0.00 C ATOM 612 O SER A 40 4.777 -9.224 10.872 1.00 0.00 O ATOM 613 CB SER A 40 4.416 -10.242 7.681 1.00 0.00 C ATOM 614 OG SER A 40 5.776 -10.509 7.973 1.00 0.00 O ATOM 0 H SER A 40 2.027 -9.608 7.658 1.00 0.00 H new ATOM 0 HA SER A 40 3.638 -11.011 9.533 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.003 -11.054 7.082 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.341 -9.334 7.083 1.00 0.00 H new ATOM 0 HG SER A 40 6.243 -10.765 7.150 1.00 0.00 H new ATOM 620 N VAL A 41 4.018 -7.722 9.372 1.00 0.00 N ATOM 621 CA VAL A 41 4.479 -6.563 10.137 1.00 0.00 C ATOM 622 C VAL A 41 3.869 -6.564 11.530 1.00 0.00 C ATOM 623 O VAL A 41 4.526 -6.909 12.513 1.00 0.00 O ATOM 624 CB VAL A 41 4.112 -5.224 9.457 1.00 0.00 C ATOM 625 CG1 VAL A 41 5.289 -4.265 9.491 1.00 0.00 C ATOM 626 CG2 VAL A 41 3.636 -5.437 8.030 1.00 0.00 C ATOM 0 H VAL A 41 3.568 -7.492 8.486 1.00 0.00 H new ATOM 0 HA VAL A 41 5.564 -6.647 10.190 1.00 0.00 H new ATOM 0 HB VAL A 41 3.289 -4.783 10.019 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.010 -3.329 9.007 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.569 -4.069 10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.134 -4.708 8.964 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.387 -4.475 7.582 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.427 -5.913 7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.753 -6.076 8.033 1.00 0.00 H new ATOM 636 N GLY A 42 2.603 -6.170 11.600 1.00 0.00 N ATOM 637 CA GLY A 42 1.901 -6.123 12.865 1.00 0.00 C ATOM 638 C GLY A 42 0.412 -6.322 12.691 1.00 0.00 C ATOM 639 O GLY A 42 -0.311 -6.542 13.663 1.00 0.00 O ATOM 0 H GLY A 42 2.048 -5.880 10.795 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.295 -6.893 13.528 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.085 -5.163 13.347 1.00 0.00 H new ATOM 643 N ALA A 43 -0.043 -6.242 11.445 1.00 0.00 N ATOM 644 CA ALA A 43 -1.458 -6.426 11.137 1.00 0.00 C ATOM 645 C ALA A 43 -1.961 -7.773 11.645 1.00 0.00 C ATOM 646 O ALA A 43 -1.173 -8.677 11.922 1.00 0.00 O ATOM 647 CB ALA A 43 -1.694 -6.304 9.639 1.00 0.00 C ATOM 0 H ALA A 43 0.545 -6.052 10.634 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.019 -5.642 11.647 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.754 -6.444 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.383 -5.316 9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.115 -7.065 9.116 1.00 0.00 H new ATOM 653 N GLN A 44 -3.278 -7.900 11.764 1.00 0.00 N ATOM 654 CA GLN A 44 -3.889 -9.138 12.232 1.00 0.00 C ATOM 655 C GLN A 44 -5.329 -9.248 11.741 1.00 0.00 C ATOM 656 O GLN A 44 -6.056 -10.168 12.118 1.00 0.00 O ATOM 657 CB GLN A 44 -3.849 -9.207 13.759 1.00 0.00 C ATOM 658 CG GLN A 44 -4.572 -8.056 14.441 1.00 0.00 C ATOM 659 CD GLN A 44 -4.510 -8.141 15.954 1.00 0.00 C ATOM 660 OE1 GLN A 44 -3.548 -8.662 16.518 1.00 0.00 O ATOM 661 NE2 GLN A 44 -5.538 -7.626 16.618 1.00 0.00 N ATOM 0 H GLN A 44 -3.944 -7.159 11.542 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.319 -9.974 11.826 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.294 -10.148 14.083 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.809 -9.217 14.087 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.133 -7.113 14.116 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.615 -8.048 14.124 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.314 -7.204 16.109 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.551 -7.653 17.638 1.00 0.00 H new ATOM 670 N LYS A 45 -5.733 -8.304 10.899 1.00 0.00 N ATOM 671 CA LYS A 45 -7.085 -8.287 10.356 1.00 0.00 C ATOM 672 C LYS A 45 -7.117 -8.904 8.962 1.00 0.00 C ATOM 673 O LYS A 45 -6.225 -8.667 8.148 1.00 0.00 O ATOM 674 CB LYS A 45 -7.615 -6.852 10.298 1.00 0.00 C ATOM 675 CG LYS A 45 -7.567 -6.129 11.634 1.00 0.00 C ATOM 676 CD LYS A 45 -8.022 -4.684 11.506 1.00 0.00 C ATOM 677 CE LYS A 45 -7.068 -3.871 10.644 1.00 0.00 C ATOM 678 NZ LYS A 45 -5.693 -3.838 11.215 1.00 0.00 N ATOM 0 H LYS A 45 -5.141 -7.538 10.577 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.722 -8.879 11.014 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.033 -6.288 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.645 -6.868 9.940 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.201 -6.648 12.352 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.551 -6.157 12.027 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.021 -4.654 11.072 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.091 -4.235 12.497 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.034 -4.296 9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.445 -2.853 10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.149 -3.073 10.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.747 -3.670 12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.222 -4.748 11.038 1.00 0.00 H new ATOM 692 N ASP A 46 -8.161 -9.681 8.688 1.00 0.00 N ATOM 693 CA ASP A 46 -8.364 -10.243 7.358 1.00 0.00 C ATOM 694 C ASP A 46 -8.888 -9.178 6.401 1.00 0.00 C ATOM 695 O ASP A 46 -9.070 -9.435 5.210 1.00 0.00 O ATOM 696 CB ASP A 46 -9.343 -11.417 7.422 1.00 0.00 C ATOM 697 CG ASP A 46 -8.849 -12.535 8.320 1.00 0.00 C ATOM 698 OD1 ASP A 46 -9.148 -12.498 9.532 1.00 0.00 O ATOM 699 OD2 ASP A 46 -8.166 -13.447 7.809 1.00 0.00 O ATOM 0 H ASP A 46 -8.878 -9.935 9.368 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.404 -10.603 6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.308 -11.062 7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.505 -11.807 6.417 1.00 0.00 H new ATOM 704 N THR A 47 -9.129 -7.984 6.932 1.00 0.00 N ATOM 705 CA THR A 47 -9.641 -6.876 6.134 1.00 0.00 C ATOM 706 C THR A 47 -8.772 -5.641 6.288 1.00 0.00 C ATOM 707 O THR A 47 -8.169 -5.419 7.338 1.00 0.00 O ATOM 708 CB THR A 47 -11.082 -6.520 6.536 1.00 0.00 C ATOM 709 OG1 THR A 47 -11.164 -6.351 7.957 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.049 -7.603 6.093 1.00 0.00 C ATOM 0 H THR A 47 -8.977 -7.758 7.915 1.00 0.00 H new ATOM 0 HA THR A 47 -9.626 -7.202 5.094 1.00 0.00 H new ATOM 0 HB THR A 47 -11.356 -5.588 6.042 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.084 -6.123 8.207 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.062 -7.329 6.388 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.003 -7.710 5.009 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.777 -8.548 6.563 1.00 0.00 H new ATOM 718 N TYR A 48 -8.709 -4.834 5.235 1.00 0.00 N ATOM 719 CA TYR A 48 -7.884 -3.638 5.255 1.00 0.00 C ATOM 720 C TYR A 48 -8.573 -2.472 4.574 1.00 0.00 C ATOM 721 O TYR A 48 -9.705 -2.579 4.101 1.00 0.00 O ATOM 722 CB TYR A 48 -6.564 -3.904 4.553 1.00 0.00 C ATOM 723 CG TYR A 48 -5.633 -4.791 5.328 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.717 -6.170 5.229 1.00 0.00 C ATOM 725 CD2 TYR A 48 -4.657 -4.246 6.146 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.850 -6.985 5.928 1.00 0.00 C ATOM 727 CE2 TYR A 48 -3.783 -5.055 6.848 1.00 0.00 C ATOM 728 CZ TYR A 48 -3.886 -6.427 6.731 1.00 0.00 C ATOM 729 OH TYR A 48 -3.023 -7.243 7.419 1.00 0.00 O ATOM 0 H TYR A 48 -9.217 -4.987 4.364 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.711 -3.379 6.300 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.764 -4.362 3.584 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.068 -2.953 4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.471 -6.614 4.596 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.578 -3.173 6.237 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.929 -8.059 5.844 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.026 -4.618 7.482 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.526 -7.777 8.069 1.00 0.00 H new ATOM 739 N THR A 49 -7.837 -1.380 4.458 1.00 0.00 N ATOM 740 CA THR A 49 -8.185 -0.347 3.503 1.00 0.00 C ATOM 741 C THR A 49 -6.989 0.028 2.647 1.00 0.00 C ATOM 742 O THR A 49 -5.958 -0.644 2.665 1.00 0.00 O ATOM 743 CB THR A 49 -8.719 0.928 4.177 1.00 0.00 C ATOM 744 OG1 THR A 49 -7.774 1.421 5.132 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.056 0.686 4.852 1.00 0.00 C ATOM 0 H THR A 49 -7.001 -1.188 5.010 1.00 0.00 H new ATOM 0 HA THR A 49 -8.976 -0.769 2.883 1.00 0.00 H new ATOM 0 HB THR A 49 -8.865 1.674 3.396 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.127 2.233 5.552 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.401 1.609 5.317 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.784 0.359 4.110 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.944 -0.085 5.615 1.00 0.00 H new ATOM 753 N MET A 50 -7.139 1.103 1.891 1.00 0.00 N ATOM 754 CA MET A 50 -6.117 1.531 0.952 1.00 0.00 C ATOM 755 C MET A 50 -5.080 2.415 1.637 1.00 0.00 C ATOM 756 O MET A 50 -3.918 2.461 1.227 1.00 0.00 O ATOM 757 CB MET A 50 -6.777 2.273 -0.207 1.00 0.00 C ATOM 758 CG MET A 50 -7.742 3.354 0.241 1.00 0.00 C ATOM 759 SD MET A 50 -7.042 5.010 0.109 1.00 0.00 S ATOM 760 CE MET A 50 -6.901 5.172 -1.668 1.00 0.00 C ATOM 0 H MET A 50 -7.966 1.699 1.911 1.00 0.00 H new ATOM 0 HA MET A 50 -5.597 0.653 0.569 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.003 2.723 -0.829 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.311 1.556 -0.831 1.00 0.00 H new ATOM 0 HG2 MET A 50 -8.649 3.298 -0.361 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.034 3.169 1.275 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.918 6.227 -1.940 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.963 4.727 -2.001 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.736 4.660 -2.147 1.00 0.00 H new ATOM 770 N LYS A 51 -5.496 3.096 2.701 1.00 0.00 N ATOM 771 CA LYS A 51 -4.580 3.901 3.498 1.00 0.00 C ATOM 772 C LYS A 51 -3.846 3.019 4.496 1.00 0.00 C ATOM 773 O LYS A 51 -2.640 3.160 4.706 1.00 0.00 O ATOM 774 CB LYS A 51 -5.340 5.005 4.236 1.00 0.00 C ATOM 775 CG LYS A 51 -4.463 5.836 5.160 1.00 0.00 C ATOM 776 CD LYS A 51 -5.290 6.770 6.027 1.00 0.00 C ATOM 777 CE LYS A 51 -4.418 7.539 7.006 1.00 0.00 C ATOM 778 NZ LYS A 51 -5.228 8.373 7.936 1.00 0.00 N ATOM 0 H LYS A 51 -6.461 3.105 3.030 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.854 4.365 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.808 5.663 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.143 4.554 4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.874 5.175 5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.758 6.418 4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.833 7.471 5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.035 6.194 6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.813 6.838 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.728 8.177 6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.596 8.881 8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.787 9.059 7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.868 7.762 8.482 1.00 0.00 H new ATOM 792 N GLU A 52 -4.589 2.092 5.090 1.00 0.00 N ATOM 793 CA GLU A 52 -4.010 1.096 5.976 1.00 0.00 C ATOM 794 C GLU A 52 -2.840 0.396 5.300 1.00 0.00 C ATOM 795 O GLU A 52 -1.705 0.474 5.766 1.00 0.00 O ATOM 796 CB GLU A 52 -5.071 0.071 6.367 1.00 0.00 C ATOM 797 CG GLU A 52 -4.953 -0.416 7.803 1.00 0.00 C ATOM 798 CD GLU A 52 -5.120 0.700 8.815 1.00 0.00 C ATOM 799 OE1 GLU A 52 -5.935 1.613 8.563 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.438 0.662 9.859 1.00 0.00 O ATOM 0 H GLU A 52 -5.599 2.012 4.971 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.645 1.598 6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.058 0.510 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.001 -0.785 5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.707 -1.182 7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.980 -0.886 7.944 1.00 0.00 H new ATOM 807 N VAL A 53 -3.125 -0.281 4.188 1.00 0.00 N ATOM 808 CA VAL A 53 -2.090 -0.975 3.432 1.00 0.00 C ATOM 809 C VAL A 53 -1.011 -0.007 2.965 1.00 0.00 C ATOM 810 O VAL A 53 0.157 -0.373 2.876 1.00 0.00 O ATOM 811 CB VAL A 53 -2.674 -1.706 2.206 1.00 0.00 C ATOM 812 CG1 VAL A 53 -1.581 -2.461 1.466 1.00 0.00 C ATOM 813 CG2 VAL A 53 -3.785 -2.651 2.626 1.00 0.00 C ATOM 0 H VAL A 53 -4.062 -0.362 3.794 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.651 -1.711 4.105 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.096 -0.961 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.011 -2.971 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.818 -1.759 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.130 -3.195 2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.184 -3.157 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.390 -3.391 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.580 -2.085 3.111 1.00 0.00 H new ATOM 823 N LEU A 54 -1.410 1.231 2.669 1.00 0.00 N ATOM 824 CA LEU A 54 -0.465 2.254 2.230 1.00 0.00 C ATOM 825 C LEU A 54 0.761 2.285 3.139 1.00 0.00 C ATOM 826 O LEU A 54 1.841 1.826 2.756 1.00 0.00 O ATOM 827 CB LEU A 54 -1.146 3.630 2.207 1.00 0.00 C ATOM 828 CG LEU A 54 -0.391 4.737 1.457 1.00 0.00 C ATOM 829 CD1 LEU A 54 0.809 5.218 2.260 1.00 0.00 C ATOM 830 CD2 LEU A 54 0.045 4.253 0.081 1.00 0.00 C ATOM 0 H LEU A 54 -2.378 1.547 2.726 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.136 2.007 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.132 3.519 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.301 3.955 3.236 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.071 5.579 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.326 6.002 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.471 5.613 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.490 4.384 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.578 5.052 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.702 3.390 0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.833 3.969 -0.500 1.00 0.00 H new ATOM 842 N PHE A 55 0.593 2.826 4.341 1.00 0.00 N ATOM 843 CA PHE A 55 1.710 2.956 5.267 1.00 0.00 C ATOM 844 C PHE A 55 2.207 1.587 5.714 1.00 0.00 C ATOM 845 O PHE A 55 3.359 1.441 6.121 1.00 0.00 O ATOM 846 CB PHE A 55 1.318 3.804 6.483 1.00 0.00 C ATOM 847 CG PHE A 55 0.107 3.305 7.223 1.00 0.00 C ATOM 848 CD1 PHE A 55 0.183 2.180 8.030 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.102 3.972 7.123 1.00 0.00 C ATOM 850 CE1 PHE A 55 -0.926 1.729 8.719 1.00 0.00 C ATOM 851 CE2 PHE A 55 -2.216 3.523 7.809 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.127 2.401 8.607 1.00 0.00 C ATOM 0 H PHE A 55 -0.297 3.178 4.694 1.00 0.00 H new ATOM 0 HA PHE A 55 2.520 3.462 4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.161 3.840 7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.132 4.826 6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.120 1.650 8.121 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.176 4.853 6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.854 0.852 9.345 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.154 4.050 7.720 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.996 2.049 9.143 1.00 0.00 H new ATOM 862 N TYR A 56 1.331 0.586 5.642 1.00 0.00 N ATOM 863 CA TYR A 56 1.660 -0.755 6.115 1.00 0.00 C ATOM 864 C TYR A 56 2.641 -1.453 5.182 1.00 0.00 C ATOM 865 O TYR A 56 3.488 -2.227 5.627 1.00 0.00 O ATOM 866 CB TYR A 56 0.396 -1.600 6.263 1.00 0.00 C ATOM 867 CG TYR A 56 0.150 -2.066 7.680 1.00 0.00 C ATOM 868 CD1 TYR A 56 1.213 -2.377 8.522 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.139 -2.193 8.176 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.997 -2.802 9.817 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.367 -2.617 9.470 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.296 -2.922 10.288 1.00 0.00 C ATOM 873 OH TYR A 56 -0.518 -3.345 11.578 1.00 0.00 O ATOM 0 H TYR A 56 0.389 0.679 5.261 1.00 0.00 H new ATOM 0 HA TYR A 56 2.135 -0.647 7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.462 -1.019 5.925 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.470 -2.469 5.610 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.225 -2.284 8.156 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.979 -1.956 7.539 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.833 -3.039 10.458 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.377 -2.710 9.841 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.482 -3.374 11.751 1.00 0.00 H new ATOM 883 N LEU A 57 2.535 -1.166 3.891 1.00 0.00 N ATOM 884 CA LEU A 57 3.491 -1.678 2.926 1.00 0.00 C ATOM 885 C LEU A 57 4.814 -0.946 3.076 1.00 0.00 C ATOM 886 O LEU A 57 5.884 -1.542 2.961 1.00 0.00 O ATOM 887 CB LEU A 57 2.956 -1.509 1.502 1.00 0.00 C ATOM 888 CG LEU A 57 3.019 -2.763 0.620 1.00 0.00 C ATOM 889 CD1 LEU A 57 4.393 -3.415 0.698 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.933 -3.749 1.021 1.00 0.00 C ATOM 0 H LEU A 57 1.799 -0.584 3.492 1.00 0.00 H new ATOM 0 HA LEU A 57 3.645 -2.741 3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.919 -1.178 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.518 -0.713 1.013 1.00 0.00 H new ATOM 0 HG LEU A 57 2.848 -2.462 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.412 -4.302 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.151 -2.709 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.602 -3.702 1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.991 -4.633 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.073 -4.040 2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.955 -3.281 0.903 1.00 0.00 H new ATOM 902 N GLY A 58 4.728 0.344 3.390 1.00 0.00 N ATOM 903 CA GLY A 58 5.898 1.077 3.829 1.00 0.00 C ATOM 904 C GLY A 58 6.538 0.449 5.051 1.00 0.00 C ATOM 905 O GLY A 58 7.764 0.395 5.158 1.00 0.00 O ATOM 0 H GLY A 58 3.869 0.892 3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.626 1.116 3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.617 2.106 4.055 1.00 0.00 H new ATOM 909 N GLN A 59 5.706 -0.040 5.970 1.00 0.00 N ATOM 910 CA GLN A 59 6.201 -0.729 7.155 1.00 0.00 C ATOM 911 C GLN A 59 7.071 -1.917 6.763 1.00 0.00 C ATOM 912 O GLN A 59 8.236 -1.998 7.150 1.00 0.00 O ATOM 913 CB GLN A 59 5.043 -1.215 8.034 1.00 0.00 C ATOM 914 CG GLN A 59 4.130 -0.111 8.543 1.00 0.00 C ATOM 915 CD GLN A 59 4.842 0.895 9.432 1.00 0.00 C ATOM 916 OE1 GLN A 59 6.037 1.146 9.281 1.00 0.00 O ATOM 917 NE2 GLN A 59 4.103 1.477 10.370 1.00 0.00 N ATOM 0 H GLN A 59 4.690 0.029 5.915 1.00 0.00 H new ATOM 0 HA GLN A 59 6.800 -0.016 7.723 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.447 -1.929 7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.453 -1.752 8.889 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.694 0.412 7.692 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.306 -0.558 9.099 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.115 1.240 10.461 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.523 2.161 10.999 1.00 0.00 H new ATOM 926 N TYR A 60 6.486 -2.847 6.012 1.00 0.00 N ATOM 927 CA TYR A 60 7.152 -4.106 5.702 1.00 0.00 C ATOM 928 C TYR A 60 8.519 -3.870 5.066 1.00 0.00 C ATOM 929 O TYR A 60 9.519 -4.434 5.506 1.00 0.00 O ATOM 930 CB TYR A 60 6.287 -4.955 4.772 1.00 0.00 C ATOM 931 CG TYR A 60 6.878 -6.312 4.474 1.00 0.00 C ATOM 932 CD1 TYR A 60 7.727 -6.497 3.392 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.589 -7.407 5.278 1.00 0.00 C ATOM 934 CE1 TYR A 60 8.273 -7.734 3.118 1.00 0.00 C ATOM 935 CE2 TYR A 60 7.130 -8.648 5.010 1.00 0.00 C ATOM 936 CZ TYR A 60 7.973 -8.808 3.930 1.00 0.00 C ATOM 937 OH TYR A 60 8.515 -10.042 3.662 1.00 0.00 O ATOM 0 H TYR A 60 5.554 -2.751 5.608 1.00 0.00 H new ATOM 0 HA TYR A 60 7.299 -4.640 6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.303 -5.087 5.223 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.139 -4.418 3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 60 7.964 -5.659 2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.931 -7.285 6.126 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.932 -7.861 2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.894 -9.490 5.643 1.00 0.00 H new ATOM 0 HH TYR A 60 8.966 -10.019 2.792 1.00 0.00 H new ATOM 947 N ILE A 61 8.558 -3.051 4.017 1.00 0.00 N ATOM 948 CA ILE A 61 9.794 -2.843 3.271 1.00 0.00 C ATOM 949 C ILE A 61 10.893 -2.270 4.159 1.00 0.00 C ATOM 950 O ILE A 61 12.022 -2.759 4.152 1.00 0.00 O ATOM 951 CB ILE A 61 9.590 -1.923 2.053 1.00 0.00 C ATOM 952 CG1 ILE A 61 8.729 -0.714 2.420 1.00 0.00 C ATOM 953 CG2 ILE A 61 8.967 -2.700 0.906 1.00 0.00 C ATOM 954 CD1 ILE A 61 8.468 0.212 1.253 1.00 0.00 C ATOM 0 H ILE A 61 7.756 -2.526 3.668 1.00 0.00 H new ATOM 0 HA ILE A 61 10.100 -3.826 2.913 1.00 0.00 H new ATOM 0 HB ILE A 61 10.565 -1.554 1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.776 -1.063 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.221 -0.155 3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.828 -2.038 0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.624 -3.523 0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.001 -3.097 1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.852 1.048 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.416 0.589 0.869 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.948 -0.333 0.465 1.00 0.00 H new ATOM 966 N MET A 62 10.560 -1.236 4.924 1.00 0.00 N ATOM 967 CA MET A 62 11.532 -0.597 5.807 1.00 0.00 C ATOM 968 C MET A 62 11.936 -1.526 6.950 1.00 0.00 C ATOM 969 O MET A 62 13.007 -1.372 7.537 1.00 0.00 O ATOM 970 CB MET A 62 10.961 0.704 6.374 1.00 0.00 C ATOM 971 CG MET A 62 10.487 1.672 5.305 1.00 0.00 C ATOM 972 SD MET A 62 9.932 3.246 5.987 1.00 0.00 S ATOM 973 CE MET A 62 8.601 2.705 7.057 1.00 0.00 C ATOM 0 H MET A 62 9.628 -0.823 4.951 1.00 0.00 H new ATOM 0 HA MET A 62 12.421 -0.373 5.217 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.127 0.468 7.035 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.723 1.191 6.983 1.00 0.00 H new ATOM 0 HG2 MET A 62 11.298 1.852 4.599 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.671 1.216 4.744 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.668 3.170 6.740 1.00 0.00 H new ATOM 0 HE2 MET A 62 8.504 1.621 6.998 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.820 2.994 8.085 1.00 0.00 H new ATOM 983 N THR A 63 11.063 -2.474 7.275 1.00 0.00 N ATOM 984 CA THR A 63 11.266 -3.333 8.439 1.00 0.00 C ATOM 985 C THR A 63 12.099 -4.565 8.095 1.00 0.00 C ATOM 986 O THR A 63 13.180 -4.770 8.649 1.00 0.00 O ATOM 987 CB THR A 63 9.923 -3.789 9.043 1.00 0.00 C ATOM 988 OG1 THR A 63 9.174 -2.651 9.488 1.00 0.00 O ATOM 989 CG2 THR A 63 10.145 -4.739 10.211 1.00 0.00 C ATOM 0 H THR A 63 10.210 -2.668 6.751 1.00 0.00 H new ATOM 0 HA THR A 63 11.806 -2.734 9.172 1.00 0.00 H new ATOM 0 HB THR A 63 9.365 -4.315 8.268 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.787 -2.191 8.714 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.182 -5.046 10.619 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.690 -5.618 9.867 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.723 -4.235 10.985 1.00 0.00 H new ATOM 997 N LYS A 64 11.568 -5.408 7.214 1.00 0.00 N ATOM 998 CA LYS A 64 12.118 -6.742 6.996 1.00 0.00 C ATOM 999 C LYS A 64 13.343 -6.705 6.084 1.00 0.00 C ATOM 1000 O LYS A 64 13.656 -7.690 5.417 1.00 0.00 O ATOM 1001 CB LYS A 64 11.050 -7.657 6.396 1.00 0.00 C ATOM 1002 CG LYS A 64 9.822 -7.815 7.277 1.00 0.00 C ATOM 1003 CD LYS A 64 10.131 -8.598 8.545 1.00 0.00 C ATOM 1004 CE LYS A 64 10.233 -10.093 8.276 1.00 0.00 C ATOM 1005 NZ LYS A 64 11.410 -10.434 7.429 1.00 0.00 N ATOM 0 H LYS A 64 10.755 -5.190 6.638 1.00 0.00 H new ATOM 0 HA LYS A 64 12.433 -7.133 7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.744 -7.259 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.485 -8.640 6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.437 -6.831 7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.037 -8.324 6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.068 -8.241 8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.352 -8.414 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.303 -10.627 9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.322 -10.435 7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.808 -11.344 7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.113 -10.506 6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.132 -9.691 7.522 1.00 0.00 H new ATOM 1019 N ARG A 65 14.040 -5.571 6.074 1.00 0.00 N ATOM 1020 CA ARG A 65 15.292 -5.443 5.329 1.00 0.00 C ATOM 1021 C ARG A 65 15.046 -5.510 3.821 1.00 0.00 C ATOM 1022 O ARG A 65 15.985 -5.445 3.026 1.00 0.00 O ATOM 1023 CB ARG A 65 16.280 -6.535 5.754 1.00 0.00 C ATOM 1024 CG ARG A 65 17.688 -6.338 5.213 1.00 0.00 C ATOM 1025 CD ARG A 65 18.338 -5.088 5.784 1.00 0.00 C ATOM 1026 NE ARG A 65 18.480 -5.160 7.235 1.00 0.00 N ATOM 1027 CZ ARG A 65 19.125 -4.251 7.960 1.00 0.00 C ATOM 1028 NH1 ARG A 65 19.685 -3.202 7.371 1.00 0.00 N ATOM 1029 NH2 ARG A 65 19.211 -4.389 9.276 1.00 0.00 N ATOM 0 H ARG A 65 13.760 -4.727 6.573 1.00 0.00 H new ATOM 0 HA ARG A 65 15.722 -4.468 5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.321 -6.570 6.843 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.904 -7.502 5.418 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.297 -7.209 5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.654 -6.267 4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.319 -4.950 5.330 1.00 0.00 H new ATOM 0 HD3 ARG A 65 17.740 -4.216 5.521 1.00 0.00 H new ATOM 0 HE ARG A 65 18.060 -5.953 7.720 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.621 -3.091 6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.179 -2.507 7.930 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.782 -5.193 9.734 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.706 -3.691 9.831 1.00 0.00 H new ATOM 1043 N LEU A 66 13.779 -5.614 3.431 1.00 0.00 N ATOM 1044 CA LEU A 66 13.407 -5.543 2.023 1.00 0.00 C ATOM 1045 C LEU A 66 13.222 -4.093 1.589 1.00 0.00 C ATOM 1046 O LEU A 66 12.100 -3.592 1.540 1.00 0.00 O ATOM 1047 CB LEU A 66 12.113 -6.327 1.760 1.00 0.00 C ATOM 1048 CG LEU A 66 12.281 -7.830 1.507 1.00 0.00 C ATOM 1049 CD1 LEU A 66 13.369 -8.090 0.475 1.00 0.00 C ATOM 1050 CD2 LEU A 66 12.579 -8.569 2.801 1.00 0.00 C ATOM 0 H LEU A 66 12.995 -5.747 4.069 1.00 0.00 H new ATOM 0 HA LEU A 66 14.214 -5.989 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.450 -6.194 2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.613 -5.887 0.897 1.00 0.00 H new ATOM 0 HG LEU A 66 11.340 -8.209 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.468 -9.163 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.103 -7.605 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.316 -7.688 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.694 -9.633 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.500 -8.183 3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.757 -8.422 3.502 1.00 0.00 H new ATOM 1062 N TYR A 67 14.329 -3.421 1.286 1.00 0.00 N ATOM 1063 CA TYR A 67 14.290 -2.015 0.896 1.00 0.00 C ATOM 1064 C TYR A 67 15.690 -1.505 0.563 1.00 0.00 C ATOM 1065 O TYR A 67 16.689 -2.163 0.855 1.00 0.00 O ATOM 1066 CB TYR A 67 13.663 -1.172 2.011 1.00 0.00 C ATOM 1067 CG TYR A 67 14.549 -0.992 3.223 1.00 0.00 C ATOM 1068 CD1 TYR A 67 14.916 -2.076 4.013 1.00 0.00 C ATOM 1069 CD2 TYR A 67 15.013 0.266 3.579 1.00 0.00 C ATOM 1070 CE1 TYR A 67 15.722 -1.908 5.124 1.00 0.00 C ATOM 1071 CE2 TYR A 67 15.819 0.442 4.686 1.00 0.00 C ATOM 1072 CZ TYR A 67 16.171 -0.647 5.455 1.00 0.00 C ATOM 1073 OH TYR A 67 16.974 -0.475 6.560 1.00 0.00 O ATOM 0 H TYR A 67 15.264 -3.828 1.303 1.00 0.00 H new ATOM 0 HA TYR A 67 13.674 -1.924 0.001 1.00 0.00 H new ATOM 0 HB2 TYR A 67 13.410 -0.190 1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.729 -1.639 2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 67 14.566 -3.065 3.755 1.00 0.00 H new ATOM 0 HD2 TYR A 67 14.739 1.122 2.980 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.998 -2.759 5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 67 16.172 1.428 4.948 1.00 0.00 H new ATOM 0 HH TYR A 67 17.204 0.473 6.653 1.00 0.00 H new ATOM 1083 N ASP A 68 15.747 -0.347 -0.090 1.00 0.00 N ATOM 1084 CA ASP A 68 16.983 0.141 -0.695 1.00 0.00 C ATOM 1085 C ASP A 68 18.055 0.396 0.362 1.00 0.00 C ATOM 1086 O ASP A 68 19.225 0.599 0.034 1.00 0.00 O ATOM 1087 CB ASP A 68 16.708 1.422 -1.488 1.00 0.00 C ATOM 1088 CG ASP A 68 17.975 2.052 -2.036 1.00 0.00 C ATOM 1089 OD1 ASP A 68 18.580 2.882 -1.325 1.00 0.00 O ATOM 1090 OD2 ASP A 68 18.362 1.715 -3.174 1.00 0.00 O ATOM 0 H ASP A 68 14.947 0.274 -0.214 1.00 0.00 H new ATOM 0 HA ASP A 68 17.355 -0.628 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.033 1.196 -2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.198 2.140 -0.846 1.00 0.00 H new ATOM 1095 N GLU A 69 17.647 0.367 1.629 1.00 0.00 N ATOM 1096 CA GLU A 69 18.579 0.468 2.753 1.00 0.00 C ATOM 1097 C GLU A 69 19.115 1.891 2.913 1.00 0.00 C ATOM 1098 O GLU A 69 19.600 2.261 3.982 1.00 0.00 O ATOM 1099 CB GLU A 69 19.740 -0.518 2.582 1.00 0.00 C ATOM 1100 CG GLU A 69 20.710 -0.529 3.753 1.00 0.00 C ATOM 1101 CD GLU A 69 21.851 -1.506 3.557 1.00 0.00 C ATOM 1102 OE1 GLU A 69 21.706 -2.678 3.963 1.00 0.00 O ATOM 1103 OE2 GLU A 69 22.890 -1.100 2.996 1.00 0.00 O ATOM 0 H GLU A 69 16.670 0.274 1.905 1.00 0.00 H new ATOM 0 HA GLU A 69 18.028 0.213 3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 69 19.336 -1.521 2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.286 -0.269 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.115 0.473 3.893 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.170 -0.785 4.665 1.00 0.00 H new ATOM 1110 N LYS A 70 19.008 2.689 1.857 1.00 0.00 N ATOM 1111 CA LYS A 70 19.397 4.093 1.921 1.00 0.00 C ATOM 1112 C LYS A 70 18.188 4.991 1.687 1.00 0.00 C ATOM 1113 O LYS A 70 17.698 5.644 2.607 1.00 0.00 O ATOM 1114 CB LYS A 70 20.483 4.396 0.888 1.00 0.00 C ATOM 1115 CG LYS A 70 21.771 3.619 1.115 1.00 0.00 C ATOM 1116 CD LYS A 70 22.840 4.001 0.105 1.00 0.00 C ATOM 1117 CE LYS A 70 24.132 3.238 0.345 1.00 0.00 C ATOM 1118 NZ LYS A 70 25.195 3.627 -0.622 1.00 0.00 N ATOM 0 H LYS A 70 18.656 2.389 0.948 1.00 0.00 H new ATOM 0 HA LYS A 70 19.796 4.293 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.101 4.167 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.704 5.463 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 70 22.138 3.809 2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 70 21.569 2.550 1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.478 3.798 -0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 70 23.032 5.072 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 70 24.480 3.424 1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.942 2.168 0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 26.060 3.084 -0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.874 3.426 -1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 25.395 4.643 -0.528 1.00 0.00 H new ATOM 1132 N GLN A 71 17.683 4.975 0.459 1.00 0.00 N ATOM 1133 CA GLN A 71 16.376 5.545 0.165 1.00 0.00 C ATOM 1134 C GLN A 71 15.295 4.479 0.295 1.00 0.00 C ATOM 1135 O GLN A 71 14.988 3.776 -0.666 1.00 0.00 O ATOM 1136 CB GLN A 71 16.360 6.141 -1.243 1.00 0.00 C ATOM 1137 CG GLN A 71 17.389 7.242 -1.452 1.00 0.00 C ATOM 1138 CD GLN A 71 17.174 8.426 -0.532 1.00 0.00 C ATOM 1139 OE1 GLN A 71 17.708 8.473 0.576 1.00 0.00 O ATOM 1140 NE2 GLN A 71 16.384 9.393 -0.986 1.00 0.00 N ATOM 0 H GLN A 71 18.160 4.573 -0.348 1.00 0.00 H new ATOM 0 HA GLN A 71 16.174 6.340 0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.539 5.346 -1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.367 6.540 -1.448 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.387 6.836 -1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.348 7.580 -2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 71 15.961 9.314 -1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 71 16.200 10.214 -0.410 1.00 0.00 H new ATOM 1149 N GLN A 72 14.735 4.352 1.495 1.00 0.00 N ATOM 1150 CA GLN A 72 13.749 3.312 1.782 1.00 0.00 C ATOM 1151 C GLN A 72 12.580 3.381 0.803 1.00 0.00 C ATOM 1152 O GLN A 72 11.815 2.425 0.667 1.00 0.00 O ATOM 1153 CB GLN A 72 13.238 3.455 3.216 1.00 0.00 C ATOM 1154 CG GLN A 72 14.348 3.552 4.251 1.00 0.00 C ATOM 1155 CD GLN A 72 13.817 3.650 5.668 1.00 0.00 C ATOM 1156 OE1 GLN A 72 13.579 4.745 6.179 1.00 0.00 O ATOM 1157 NE2 GLN A 72 13.628 2.504 6.310 1.00 0.00 N ATOM 0 H GLN A 72 14.948 4.958 2.287 1.00 0.00 H new ATOM 0 HA GLN A 72 14.234 2.343 1.668 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.612 4.345 3.283 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.604 2.601 3.454 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.994 2.678 4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.964 4.425 4.037 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.839 1.620 5.848 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.272 2.508 7.266 1.00 0.00 H new ATOM 1166 N HIS A 73 12.450 4.517 0.120 1.00 0.00 N ATOM 1167 CA HIS A 73 11.401 4.694 -0.878 1.00 0.00 C ATOM 1168 C HIS A 73 11.491 3.628 -1.966 1.00 0.00 C ATOM 1169 O HIS A 73 10.488 3.282 -2.587 1.00 0.00 O ATOM 1170 CB HIS A 73 11.493 6.085 -1.507 1.00 0.00 C ATOM 1171 CG HIS A 73 11.087 7.190 -0.585 1.00 0.00 C ATOM 1172 ND1 HIS A 73 11.952 7.787 0.307 1.00 0.00 N ATOM 1173 CD2 HIS A 73 9.895 7.809 -0.420 1.00 0.00 C ATOM 1174 CE1 HIS A 73 11.311 8.724 0.981 1.00 0.00 C ATOM 1175 NE2 HIS A 73 10.061 8.759 0.557 1.00 0.00 N ATOM 0 H HIS A 73 13.058 5.327 0.240 1.00 0.00 H new ATOM 0 HA HIS A 73 10.440 4.591 -0.374 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.517 6.257 -1.838 1.00 0.00 H new ATOM 0 HB3 HIS A 73 10.862 6.115 -2.395 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.983 7.595 -0.957 1.00 0.00 H new ATOM 0 HE1 HIS A 73 11.736 9.354 1.748 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.336 9.390 0.900 1.00 0.00 H new ATOM 1184 N ILE A 74 12.691 3.092 -2.178 1.00 0.00 N ATOM 1185 CA ILE A 74 12.857 1.956 -3.072 1.00 0.00 C ATOM 1186 C ILE A 74 12.969 0.667 -2.274 1.00 0.00 C ATOM 1187 O ILE A 74 13.312 0.686 -1.091 1.00 0.00 O ATOM 1188 CB ILE A 74 14.103 2.099 -3.967 1.00 0.00 C ATOM 1189 CG1 ILE A 74 14.241 3.528 -4.497 1.00 0.00 C ATOM 1190 CG2 ILE A 74 14.033 1.112 -5.122 1.00 0.00 C ATOM 1191 CD1 ILE A 74 13.037 4.011 -5.278 1.00 0.00 C ATOM 0 H ILE A 74 13.553 3.424 -1.746 1.00 0.00 H new ATOM 0 HA ILE A 74 11.976 1.927 -3.713 1.00 0.00 H new ATOM 0 HB ILE A 74 14.983 1.878 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 74 14.411 4.202 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.123 3.585 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 74 14.918 1.221 -5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 74 13.989 0.096 -4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 74 13.141 1.310 -5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 74 13.211 5.031 -5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 74 12.877 3.362 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 74 12.155 3.988 -4.638 1.00 0.00 H new ATOM 1203 N VAL A 75 12.685 -0.454 -2.922 1.00 0.00 N ATOM 1204 CA VAL A 75 12.809 -1.754 -2.280 1.00 0.00 C ATOM 1205 C VAL A 75 13.054 -2.854 -3.305 1.00 0.00 C ATOM 1206 O VAL A 75 12.153 -3.244 -4.048 1.00 0.00 O ATOM 1207 CB VAL A 75 11.554 -2.087 -1.446 1.00 0.00 C ATOM 1208 CG1 VAL A 75 10.319 -1.473 -2.080 1.00 0.00 C ATOM 1209 CG2 VAL A 75 11.391 -3.591 -1.271 1.00 0.00 C ATOM 0 H VAL A 75 12.368 -0.489 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 75 13.668 -1.702 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 75 11.680 -1.655 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.442 -1.717 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.435 -0.390 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.191 -1.870 -3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.498 -3.794 -0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.293 -4.063 -2.249 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.265 -3.995 -0.759 1.00 0.00 H new ATOM 1219 N TYR A 76 14.281 -3.363 -3.321 1.00 0.00 N ATOM 1220 CA TYR A 76 14.621 -4.522 -4.131 1.00 0.00 C ATOM 1221 C TYR A 76 14.390 -5.809 -3.346 1.00 0.00 C ATOM 1222 O TYR A 76 14.940 -5.992 -2.261 1.00 0.00 O ATOM 1223 CB TYR A 76 16.076 -4.427 -4.579 1.00 0.00 C ATOM 1224 CG TYR A 76 16.506 -3.009 -4.866 1.00 0.00 C ATOM 1225 CD1 TYR A 76 15.912 -2.279 -5.887 1.00 0.00 C ATOM 1226 CD2 TYR A 76 17.498 -2.396 -4.111 1.00 0.00 C ATOM 1227 CE1 TYR A 76 16.298 -0.979 -6.150 1.00 0.00 C ATOM 1228 CE2 TYR A 76 17.887 -1.098 -4.367 1.00 0.00 C ATOM 1229 CZ TYR A 76 17.284 -0.392 -5.388 1.00 0.00 C ATOM 1230 OH TYR A 76 17.671 0.903 -5.647 1.00 0.00 O ATOM 0 H TYR A 76 15.059 -2.987 -2.778 1.00 0.00 H new ATOM 0 HA TYR A 76 13.978 -4.539 -5.011 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.718 -4.847 -3.805 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.217 -5.033 -5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.136 -2.735 -6.485 1.00 0.00 H new ATOM 0 HD2 TYR A 76 17.972 -2.945 -3.311 1.00 0.00 H new ATOM 0 HE1 TYR A 76 15.829 -0.425 -6.950 1.00 0.00 H new ATOM 0 HE2 TYR A 76 18.660 -0.636 -3.771 1.00 0.00 H new ATOM 0 HH TYR A 76 18.121 1.274 -4.859 1.00 0.00 H new ATOM 1240 N CYS A 77 13.537 -6.677 -3.880 1.00 0.00 N ATOM 1241 CA CYS A 77 13.023 -7.804 -3.115 1.00 0.00 C ATOM 1242 C CYS A 77 12.850 -9.038 -3.994 1.00 0.00 C ATOM 1243 O CYS A 77 11.735 -9.382 -4.389 1.00 0.00 O ATOM 1244 CB CYS A 77 11.690 -7.430 -2.465 1.00 0.00 C ATOM 1245 SG CYS A 77 10.454 -6.801 -3.623 1.00 0.00 S ATOM 0 H CYS A 77 13.189 -6.621 -4.837 1.00 0.00 H new ATOM 0 HA CYS A 77 13.749 -8.044 -2.338 1.00 0.00 H new ATOM 0 HB2 CYS A 77 11.286 -8.307 -1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 77 11.871 -6.676 -1.699 1.00 0.00 H new ATOM 0 HG CYS A 77 10.506 -7.486 -4.727 1.00 0.00 H new ATOM 1251 N SER A 78 13.956 -9.717 -4.274 1.00 0.00 N ATOM 1252 CA SER A 78 13.911 -11.000 -4.968 1.00 0.00 C ATOM 1253 C SER A 78 13.366 -12.088 -4.049 1.00 0.00 C ATOM 1254 O SER A 78 13.945 -12.375 -3.002 1.00 0.00 O ATOM 1255 CB SER A 78 15.305 -11.384 -5.465 1.00 0.00 C ATOM 1256 OG SER A 78 15.809 -10.420 -6.371 1.00 0.00 O ATOM 0 H SER A 78 14.895 -9.401 -4.032 1.00 0.00 H new ATOM 0 HA SER A 78 13.245 -10.903 -5.825 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.983 -11.479 -4.617 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.265 -12.358 -5.952 1.00 0.00 H new ATOM 0 HG SER A 78 16.702 -10.689 -6.672 1.00 0.00 H new ATOM 1262 N ASN A 79 12.243 -12.685 -4.446 1.00 0.00 N ATOM 1263 CA ASN A 79 11.583 -13.702 -3.633 1.00 0.00 C ATOM 1264 C ASN A 79 11.174 -13.129 -2.280 1.00 0.00 C ATOM 1265 O ASN A 79 11.754 -13.468 -1.248 1.00 0.00 O ATOM 1266 CB ASN A 79 12.501 -14.913 -3.442 1.00 0.00 C ATOM 1267 CG ASN A 79 11.788 -16.091 -2.805 1.00 0.00 C ATOM 1268 OD1 ASN A 79 10.851 -15.921 -2.025 1.00 0.00 O ATOM 1269 ND2 ASN A 79 12.230 -17.298 -3.138 1.00 0.00 N ATOM 0 H ASN A 79 11.772 -12.481 -5.327 1.00 0.00 H new ATOM 0 HA ASN A 79 10.683 -14.026 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.903 -15.216 -4.409 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.349 -14.627 -2.820 1.00 0.00 H new ATOM 0 HD21 ASN A 79 11.790 -18.129 -2.743 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.010 -17.394 -3.789 1.00 0.00 H new ATOM 1276 N ASP A 80 10.176 -12.252 -2.296 1.00 0.00 N ATOM 1277 CA ASP A 80 9.694 -11.610 -1.076 1.00 0.00 C ATOM 1278 C ASP A 80 8.188 -11.795 -0.925 1.00 0.00 C ATOM 1279 O ASP A 80 7.491 -12.124 -1.887 1.00 0.00 O ATOM 1280 CB ASP A 80 10.035 -10.119 -1.099 1.00 0.00 C ATOM 1281 CG ASP A 80 9.636 -9.414 0.182 1.00 0.00 C ATOM 1282 OD1 ASP A 80 9.819 -10.003 1.268 1.00 0.00 O ATOM 1283 OD2 ASP A 80 9.142 -8.270 0.100 1.00 0.00 O ATOM 0 H ASP A 80 9.683 -11.968 -3.143 1.00 0.00 H new ATOM 0 HA ASP A 80 10.187 -12.079 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.106 -9.997 -1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.531 -9.647 -1.942 1.00 0.00 H new ATOM 1288 N LEU A 81 7.683 -11.563 0.284 1.00 0.00 N ATOM 1289 CA LEU A 81 6.244 -11.580 0.524 1.00 0.00 C ATOM 1290 C LEU A 81 5.539 -10.566 -0.371 1.00 0.00 C ATOM 1291 O LEU A 81 4.504 -10.865 -0.974 1.00 0.00 O ATOM 1292 CB LEU A 81 5.946 -11.289 1.997 1.00 0.00 C ATOM 1293 CG LEU A 81 6.171 -12.463 2.957 1.00 0.00 C ATOM 1294 CD1 LEU A 81 7.610 -12.954 2.887 1.00 0.00 C ATOM 1295 CD2 LEU A 81 5.815 -12.061 4.379 1.00 0.00 C ATOM 0 H LEU A 81 8.247 -11.362 1.110 1.00 0.00 H new ATOM 0 HA LEU A 81 5.866 -12.573 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.569 -10.454 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.909 -10.965 2.083 1.00 0.00 H new ATOM 0 HG LEU A 81 5.518 -13.281 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.744 -13.787 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.833 -13.284 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.285 -12.143 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.980 -12.906 5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.442 -11.225 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.767 -11.764 4.422 1.00 0.00 H new ATOM 1307 N LEU A 82 6.132 -9.380 -0.495 1.00 0.00 N ATOM 1308 CA LEU A 82 5.710 -8.425 -1.512 1.00 0.00 C ATOM 1309 C LEU A 82 5.594 -9.119 -2.862 1.00 0.00 C ATOM 1310 O LEU A 82 4.616 -8.934 -3.583 1.00 0.00 O ATOM 1311 CB LEU A 82 6.703 -7.257 -1.605 1.00 0.00 C ATOM 1312 CG LEU A 82 6.455 -6.256 -2.745 1.00 0.00 C ATOM 1313 CD1 LEU A 82 7.035 -6.769 -4.056 1.00 0.00 C ATOM 1314 CD2 LEU A 82 4.969 -5.958 -2.897 1.00 0.00 C ATOM 0 H LEU A 82 6.902 -9.061 0.093 1.00 0.00 H new ATOM 0 HA LEU A 82 4.735 -8.028 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.685 -6.714 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.707 -7.667 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 82 6.963 -5.327 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.846 -6.043 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.110 -6.915 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.565 -7.718 -4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.822 -5.247 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.434 -6.881 -3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.587 -5.532 -1.969 1.00 0.00 H new ATOM 1326 N GLY A 83 6.610 -9.911 -3.197 1.00 0.00 N ATOM 1327 CA GLY A 83 6.637 -10.590 -4.479 1.00 0.00 C ATOM 1328 C GLY A 83 5.381 -11.397 -4.737 1.00 0.00 C ATOM 1329 O GLY A 83 4.893 -11.454 -5.865 1.00 0.00 O ATOM 0 H GLY A 83 7.417 -10.094 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.761 -9.854 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.503 -11.250 -4.518 1.00 0.00 H new ATOM 1333 N ASP A 84 4.846 -12.010 -3.684 1.00 0.00 N ATOM 1334 CA ASP A 84 3.586 -12.739 -3.791 1.00 0.00 C ATOM 1335 C ASP A 84 2.482 -11.828 -4.315 1.00 0.00 C ATOM 1336 O ASP A 84 1.690 -12.224 -5.169 1.00 0.00 O ATOM 1337 CB ASP A 84 3.180 -13.318 -2.434 1.00 0.00 C ATOM 1338 CG ASP A 84 4.313 -14.065 -1.760 1.00 0.00 C ATOM 1339 OD1 ASP A 84 5.091 -14.735 -2.473 1.00 0.00 O ATOM 1340 OD2 ASP A 84 4.425 -13.980 -0.519 1.00 0.00 O ATOM 0 H ASP A 84 5.262 -12.017 -2.753 1.00 0.00 H new ATOM 0 HA ASP A 84 3.730 -13.559 -4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.844 -12.510 -1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.334 -13.992 -2.568 1.00 0.00 H new ATOM 1345 N LEU A 85 2.427 -10.608 -3.786 1.00 0.00 N ATOM 1346 CA LEU A 85 1.354 -9.681 -4.120 1.00 0.00 C ATOM 1347 C LEU A 85 1.688 -8.877 -5.378 1.00 0.00 C ATOM 1348 O LEU A 85 0.791 -8.384 -6.064 1.00 0.00 O ATOM 1349 CB LEU A 85 1.077 -8.748 -2.935 1.00 0.00 C ATOM 1350 CG LEU A 85 1.587 -7.313 -3.081 1.00 0.00 C ATOM 1351 CD1 LEU A 85 0.548 -6.456 -3.787 1.00 0.00 C ATOM 1352 CD2 LEU A 85 1.933 -6.729 -1.721 1.00 0.00 C ATOM 0 H LEU A 85 3.112 -10.241 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 85 0.454 -10.259 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.000 -8.715 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.526 -9.183 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 85 2.494 -7.324 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.923 -5.437 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.350 -6.866 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.374 -6.449 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.294 -5.708 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.044 -6.726 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.709 -7.334 -1.252 1.00 0.00 H new ATOM 1364 N PHE A 86 2.977 -8.740 -5.671 1.00 0.00 N ATOM 1365 CA PHE A 86 3.420 -7.913 -6.788 1.00 0.00 C ATOM 1366 C PHE A 86 4.368 -8.689 -7.700 1.00 0.00 C ATOM 1367 O PHE A 86 4.035 -8.983 -8.848 1.00 0.00 O ATOM 1368 CB PHE A 86 4.109 -6.640 -6.276 1.00 0.00 C ATOM 1369 CG PHE A 86 3.532 -5.358 -6.828 1.00 0.00 C ATOM 1370 CD1 PHE A 86 2.538 -5.383 -7.795 1.00 0.00 C ATOM 1371 CD2 PHE A 86 3.987 -4.128 -6.373 1.00 0.00 C ATOM 1372 CE1 PHE A 86 2.011 -4.211 -8.298 1.00 0.00 C ATOM 1373 CE2 PHE A 86 3.460 -2.950 -6.876 1.00 0.00 C ATOM 1374 CZ PHE A 86 2.472 -2.996 -7.836 1.00 0.00 C ATOM 0 H PHE A 86 3.731 -9.190 -5.152 1.00 0.00 H new ATOM 0 HA PHE A 86 2.540 -7.630 -7.365 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.042 -6.617 -5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.168 -6.687 -6.529 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.172 -6.332 -8.159 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.760 -4.089 -5.619 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.239 -4.245 -9.052 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.822 -1.998 -6.517 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.058 -2.079 -8.227 1.00 0.00 H new ATOM 1384 N GLY A 87 5.539 -9.031 -7.176 1.00 0.00 N ATOM 1385 CA GLY A 87 6.479 -9.844 -7.927 1.00 0.00 C ATOM 1386 C GLY A 87 7.656 -9.046 -8.451 1.00 0.00 C ATOM 1387 O GLY A 87 8.588 -9.610 -9.024 1.00 0.00 O ATOM 0 H GLY A 87 5.855 -8.760 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.846 -10.649 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.961 -10.311 -8.764 1.00 0.00 H new ATOM 1391 N VAL A 88 7.612 -7.730 -8.261 1.00 0.00 N ATOM 1392 CA VAL A 88 8.672 -6.853 -8.745 1.00 0.00 C ATOM 1393 C VAL A 88 10.017 -7.215 -8.123 1.00 0.00 C ATOM 1394 O VAL A 88 10.085 -7.617 -6.962 1.00 0.00 O ATOM 1395 CB VAL A 88 8.370 -5.374 -8.433 1.00 0.00 C ATOM 1396 CG1 VAL A 88 7.052 -4.947 -9.056 1.00 0.00 C ATOM 1397 CG2 VAL A 88 8.359 -5.137 -6.930 1.00 0.00 C ATOM 0 H VAL A 88 6.855 -7.249 -7.776 1.00 0.00 H new ATOM 0 HA VAL A 88 8.719 -6.992 -9.825 1.00 0.00 H new ATOM 0 HB VAL A 88 9.161 -4.765 -8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 88 6.861 -3.900 -8.822 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.103 -5.073 -10.137 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.245 -5.561 -8.656 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.144 -4.088 -6.729 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.592 -5.759 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 88 9.333 -5.394 -6.514 1.00 0.00 H new ATOM 1407 N PRO A 89 11.114 -7.018 -8.874 1.00 0.00 N ATOM 1408 CA PRO A 89 12.458 -6.979 -8.302 1.00 0.00 C ATOM 1409 C PRO A 89 12.716 -5.670 -7.565 1.00 0.00 C ATOM 1410 O PRO A 89 13.695 -5.537 -6.831 1.00 0.00 O ATOM 1411 CB PRO A 89 13.360 -7.092 -9.529 1.00 0.00 C ATOM 1412 CG PRO A 89 12.571 -6.464 -10.625 1.00 0.00 C ATOM 1413 CD PRO A 89 11.125 -6.769 -10.330 1.00 0.00 C ATOM 0 HA PRO A 89 12.624 -7.765 -7.565 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.308 -6.576 -9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 89 13.596 -8.132 -9.754 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.742 -5.388 -10.661 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.864 -6.866 -11.595 1.00 0.00 H new ATOM 0 HD2 PRO A 89 10.476 -5.936 -10.599 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.776 -7.638 -10.888 1.00 0.00 H new ATOM 1421 N SER A 90 11.819 -4.710 -7.768 1.00 0.00 N ATOM 1422 CA SER A 90 11.904 -3.417 -7.100 1.00 0.00 C ATOM 1423 C SER A 90 10.607 -2.633 -7.271 1.00 0.00 C ATOM 1424 O SER A 90 10.017 -2.625 -8.351 1.00 0.00 O ATOM 1425 CB SER A 90 13.066 -2.601 -7.657 1.00 0.00 C ATOM 1426 OG SER A 90 12.977 -2.476 -9.066 1.00 0.00 O ATOM 0 H SER A 90 11.020 -4.805 -8.394 1.00 0.00 H new ATOM 0 HA SER A 90 12.071 -3.601 -6.039 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.070 -1.611 -7.201 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.009 -3.078 -7.391 1.00 0.00 H new ATOM 0 HG SER A 90 13.733 -1.947 -9.396 1.00 0.00 H new ATOM 1432 N PHE A 91 10.195 -1.937 -6.219 1.00 0.00 N ATOM 1433 CA PHE A 91 9.149 -0.927 -6.344 1.00 0.00 C ATOM 1434 C PHE A 91 9.471 0.303 -5.507 1.00 0.00 C ATOM 1435 O PHE A 91 10.217 0.227 -4.530 1.00 0.00 O ATOM 1436 CB PHE A 91 7.778 -1.501 -5.960 1.00 0.00 C ATOM 1437 CG PHE A 91 7.555 -1.708 -4.483 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.093 -0.672 -3.681 1.00 0.00 C ATOM 1439 CD2 PHE A 91 7.770 -2.949 -3.902 1.00 0.00 C ATOM 1440 CE1 PHE A 91 6.853 -0.869 -2.338 1.00 0.00 C ATOM 1441 CE2 PHE A 91 7.534 -3.150 -2.554 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.074 -2.109 -1.772 1.00 0.00 C ATOM 0 H PHE A 91 10.565 -2.051 -5.275 1.00 0.00 H new ATOM 0 HA PHE A 91 9.107 -0.622 -7.390 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.004 -0.832 -6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.648 -2.457 -6.467 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.919 0.301 -4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.126 -3.768 -4.509 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.492 -0.054 -1.729 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.709 -4.120 -2.113 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.887 -2.264 -0.720 1.00 0.00 H new ATOM 1452 N SER A 92 8.913 1.441 -5.909 1.00 0.00 N ATOM 1453 CA SER A 92 9.163 2.701 -5.222 1.00 0.00 C ATOM 1454 C SER A 92 7.891 3.232 -4.576 1.00 0.00 C ATOM 1455 O SER A 92 7.040 3.819 -5.247 1.00 0.00 O ATOM 1456 CB SER A 92 9.719 3.736 -6.201 1.00 0.00 C ATOM 1457 OG SER A 92 9.954 4.974 -5.555 1.00 0.00 O ATOM 0 H SER A 92 8.284 1.515 -6.708 1.00 0.00 H new ATOM 0 HA SER A 92 9.897 2.518 -4.438 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.648 3.367 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.017 3.878 -7.022 1.00 0.00 H new ATOM 0 HG SER A 92 10.311 5.618 -6.202 1.00 0.00 H new ATOM 1463 N VAL A 93 7.778 3.046 -3.265 1.00 0.00 N ATOM 1464 CA VAL A 93 6.696 3.653 -2.501 1.00 0.00 C ATOM 1465 C VAL A 93 6.652 5.162 -2.718 1.00 0.00 C ATOM 1466 O VAL A 93 5.600 5.785 -2.585 1.00 0.00 O ATOM 1467 CB VAL A 93 6.839 3.371 -0.992 1.00 0.00 C ATOM 1468 CG1 VAL A 93 6.109 2.092 -0.614 1.00 0.00 C ATOM 1469 CG2 VAL A 93 8.303 3.299 -0.597 1.00 0.00 C ATOM 0 H VAL A 93 8.421 2.481 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 93 5.769 3.205 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 93 6.382 4.195 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.222 1.911 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.051 2.192 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.530 1.255 -1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.382 3.099 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.791 2.498 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.789 4.248 -0.826 1.00 0.00 H new ATOM 1479 N LYS A 94 7.802 5.743 -3.054 1.00 0.00 N ATOM 1480 CA LYS A 94 7.897 7.180 -3.299 1.00 0.00 C ATOM 1481 C LYS A 94 6.780 7.646 -4.228 1.00 0.00 C ATOM 1482 O LYS A 94 6.214 8.723 -4.046 1.00 0.00 O ATOM 1483 CB LYS A 94 9.259 7.527 -3.903 1.00 0.00 C ATOM 1484 CG LYS A 94 9.447 9.012 -4.172 1.00 0.00 C ATOM 1485 CD LYS A 94 10.814 9.300 -4.774 1.00 0.00 C ATOM 1486 CE LYS A 94 11.001 10.782 -5.051 1.00 0.00 C ATOM 1487 NZ LYS A 94 9.992 11.299 -6.017 1.00 0.00 N ATOM 0 H LYS A 94 8.682 5.239 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 94 7.791 7.695 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.044 7.187 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.383 6.979 -4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.669 9.362 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.333 9.569 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.592 8.955 -4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.930 8.738 -5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.927 11.338 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.002 10.954 -5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.280 12.242 -6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.926 10.653 -6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.065 11.364 -5.550 1.00 0.00 H new ATOM 1501 N GLU A 95 6.454 6.814 -5.211 1.00 0.00 N ATOM 1502 CA GLU A 95 5.313 7.067 -6.081 1.00 0.00 C ATOM 1503 C GLU A 95 4.127 6.195 -5.680 1.00 0.00 C ATOM 1504 O GLU A 95 3.743 5.276 -6.405 1.00 0.00 O ATOM 1505 CB GLU A 95 5.694 6.808 -7.543 1.00 0.00 C ATOM 1506 CG GLU A 95 6.367 5.465 -7.770 1.00 0.00 C ATOM 1507 CD GLU A 95 6.752 5.242 -9.220 1.00 0.00 C ATOM 1508 OE1 GLU A 95 7.872 5.636 -9.605 1.00 0.00 O ATOM 1509 OE2 GLU A 95 5.932 4.672 -9.970 1.00 0.00 O ATOM 0 H GLU A 95 6.965 5.958 -5.425 1.00 0.00 H new ATOM 0 HA GLU A 95 5.022 8.112 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.796 6.863 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.361 7.601 -7.881 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.259 5.400 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.696 4.668 -7.450 1.00 0.00 H new ATOM 1516 N HIS A 96 3.556 6.484 -4.513 1.00 0.00 N ATOM 1517 CA HIS A 96 2.457 5.688 -3.975 1.00 0.00 C ATOM 1518 C HIS A 96 1.330 5.553 -4.993 1.00 0.00 C ATOM 1519 O HIS A 96 0.628 4.542 -5.024 1.00 0.00 O ATOM 1520 CB HIS A 96 1.914 6.322 -2.692 1.00 0.00 C ATOM 1521 CG HIS A 96 2.897 6.348 -1.564 1.00 0.00 C ATOM 1522 ND1 HIS A 96 3.614 7.474 -1.217 1.00 0.00 N ATOM 1523 CD2 HIS A 96 3.273 5.382 -0.693 1.00 0.00 C ATOM 1524 CE1 HIS A 96 4.390 7.198 -0.183 1.00 0.00 C ATOM 1525 NE2 HIS A 96 4.201 5.936 0.156 1.00 0.00 N ATOM 0 H HIS A 96 3.837 7.266 -3.921 1.00 0.00 H new ATOM 0 HA HIS A 96 2.846 4.695 -3.749 1.00 0.00 H new ATOM 0 HB2 HIS A 96 1.598 7.342 -2.909 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.027 5.774 -2.375 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.911 4.365 -0.670 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.064 7.888 0.302 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.668 5.451 0.923 1.00 0.00 H new ATOM 1534 N ARG A 97 1.162 6.578 -5.823 1.00 0.00 N ATOM 1535 CA ARG A 97 0.124 6.567 -6.846 1.00 0.00 C ATOM 1536 C ARG A 97 0.264 5.344 -7.745 1.00 0.00 C ATOM 1537 O ARG A 97 -0.583 4.452 -7.729 1.00 0.00 O ATOM 1538 CB ARG A 97 0.195 7.845 -7.686 1.00 0.00 C ATOM 1539 CG ARG A 97 -0.861 7.914 -8.779 1.00 0.00 C ATOM 1540 CD ARG A 97 -0.711 9.173 -9.619 1.00 0.00 C ATOM 1541 NE ARG A 97 -1.708 9.240 -10.684 1.00 0.00 N ATOM 1542 CZ ARG A 97 -1.659 10.112 -11.687 1.00 0.00 C ATOM 1543 NH1 ARG A 97 -0.663 10.986 -11.762 1.00 0.00 N ATOM 1544 NH2 ARG A 97 -2.604 10.111 -12.616 1.00 0.00 N ATOM 0 H ARG A 97 1.731 7.425 -5.807 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.845 6.521 -6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.084 8.708 -7.030 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.183 7.916 -8.141 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.781 7.036 -9.420 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.854 7.891 -8.329 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.805 10.050 -8.978 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.288 9.202 -10.055 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.486 8.581 -10.657 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.067 10.990 -11.050 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.627 11.654 -12.532 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.371 9.441 -12.563 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.565 10.781 -13.384 1.00 0.00 H new ATOM 1558 N LYS A 98 1.335 5.312 -8.531 1.00 0.00 N ATOM 1559 CA LYS A 98 1.555 4.227 -9.481 1.00 0.00 C ATOM 1560 C LYS A 98 1.694 2.889 -8.765 1.00 0.00 C ATOM 1561 O LYS A 98 1.131 1.885 -9.194 1.00 0.00 O ATOM 1562 CB LYS A 98 2.803 4.501 -10.321 1.00 0.00 C ATOM 1563 CG LYS A 98 2.705 5.766 -11.161 1.00 0.00 C ATOM 1564 CD LYS A 98 3.965 5.996 -11.982 1.00 0.00 C ATOM 1565 CE LYS A 98 4.164 4.905 -13.022 1.00 0.00 C ATOM 1566 NZ LYS A 98 3.030 4.842 -13.984 1.00 0.00 N ATOM 0 H LYS A 98 2.064 6.025 -8.529 1.00 0.00 H new ATOM 0 HA LYS A 98 0.686 4.175 -10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.666 4.580 -9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.982 3.651 -10.979 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.845 5.695 -11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.534 6.623 -10.510 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.905 6.965 -12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.830 6.030 -11.320 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.091 5.086 -13.565 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.270 3.942 -12.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.313 4.291 -14.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.214 4.386 -13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.769 5.805 -14.277 1.00 0.00 H new ATOM 1580 N ILE A 99 2.452 2.885 -7.676 1.00 0.00 N ATOM 1581 CA ILE A 99 2.712 1.662 -6.924 1.00 0.00 C ATOM 1582 C ILE A 99 1.401 1.010 -6.475 1.00 0.00 C ATOM 1583 O ILE A 99 1.278 -0.217 -6.454 1.00 0.00 O ATOM 1584 CB ILE A 99 3.632 1.945 -5.706 1.00 0.00 C ATOM 1585 CG1 ILE A 99 4.518 0.730 -5.413 1.00 0.00 C ATOM 1586 CG2 ILE A 99 2.831 2.332 -4.474 1.00 0.00 C ATOM 1587 CD1 ILE A 99 3.827 -0.357 -4.616 1.00 0.00 C ATOM 0 H ILE A 99 2.899 3.717 -7.292 1.00 0.00 H new ATOM 0 HA ILE A 99 3.230 0.965 -7.583 1.00 0.00 H new ATOM 0 HB ILE A 99 4.268 2.792 -5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.865 0.310 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.402 1.061 -4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.510 2.522 -3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.253 3.232 -4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.154 1.520 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.519 -1.182 -4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.504 0.045 -3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.959 -0.717 -5.168 1.00 0.00 H new ATOM 1599 N TYR A 100 0.411 1.839 -6.150 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.893 1.338 -5.731 1.00 0.00 C ATOM 1601 C TYR A 100 -1.909 1.390 -6.867 1.00 0.00 C ATOM 1602 O TYR A 100 -3.058 0.984 -6.700 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.405 2.129 -4.530 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.935 1.553 -3.217 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.228 0.801 -3.159 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -1.654 1.746 -2.046 1.00 0.00 C ATOM 1607 CE1 TYR A 100 0.666 0.259 -1.974 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -1.222 1.204 -0.853 1.00 0.00 C ATOM 1609 CZ TYR A 100 -0.060 0.461 -0.822 1.00 0.00 C ATOM 1610 OH TYR A 100 0.376 -0.081 0.362 1.00 0.00 O ATOM 0 H TYR A 100 0.488 2.856 -6.169 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.768 0.294 -5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.070 3.163 -4.610 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.495 2.145 -4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.800 0.638 -4.060 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -2.563 2.328 -2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.576 -0.323 -1.947 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.791 1.361 0.052 1.00 0.00 H new ATOM 0 HH TYR A 100 1.149 0.426 0.689 1.00 0.00 H new ATOM 1620 N THR A 101 -1.480 1.858 -8.030 1.00 0.00 N ATOM 1621 CA THR A 101 -2.305 1.769 -9.225 1.00 0.00 C ATOM 1622 C THR A 101 -2.014 0.476 -9.978 1.00 0.00 C ATOM 1623 O THR A 101 -2.863 -0.036 -10.708 1.00 0.00 O ATOM 1624 CB THR A 101 -2.083 2.972 -10.164 1.00 0.00 C ATOM 1625 OG1 THR A 101 -2.432 4.189 -9.492 1.00 0.00 O ATOM 1626 CG2 THR A 101 -2.916 2.838 -11.431 1.00 0.00 C ATOM 0 H THR A 101 -0.572 2.300 -8.171 1.00 0.00 H new ATOM 0 HA THR A 101 -3.345 1.777 -8.900 1.00 0.00 H new ATOM 0 HB THR A 101 -1.029 2.993 -10.441 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.032 4.195 -8.597 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.740 3.700 -12.075 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.632 1.927 -11.958 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.973 2.791 -11.168 1.00 0.00 H new ATOM 1634 N MET A 102 -0.820 -0.067 -9.762 1.00 0.00 N ATOM 1635 CA MET A 102 -0.486 -1.394 -10.258 1.00 0.00 C ATOM 1636 C MET A 102 -1.005 -2.460 -9.305 1.00 0.00 C ATOM 1637 O MET A 102 -1.514 -3.494 -9.736 1.00 0.00 O ATOM 1638 CB MET A 102 1.026 -1.540 -10.424 1.00 0.00 C ATOM 1639 CG MET A 102 1.679 -0.355 -11.107 1.00 0.00 C ATOM 1640 SD MET A 102 3.477 -0.484 -11.164 1.00 0.00 S ATOM 1641 CE MET A 102 3.887 -0.345 -9.425 1.00 0.00 C ATOM 0 H MET A 102 -0.069 0.393 -9.247 1.00 0.00 H new ATOM 0 HA MET A 102 -0.960 -1.525 -11.231 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.479 -1.678 -9.442 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.234 -2.441 -11.001 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.293 -0.269 -12.123 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.401 0.559 -10.582 1.00 0.00 H new ATOM 0 HE1 MET A 102 4.455 0.570 -9.257 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.970 -0.316 -8.836 1.00 0.00 H new ATOM 0 HE3 MET A 102 4.485 -1.204 -9.122 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.887 -2.198 -8.003 1.00 0.00 N ATOM 1652 CA ILE A 103 -1.417 -3.113 -7.003 1.00 0.00 C ATOM 1653 C ILE A 103 -2.930 -3.270 -7.149 1.00 0.00 C ATOM 1654 O ILE A 103 -3.434 -4.384 -7.297 1.00 0.00 O ATOM 1655 CB ILE A 103 -1.085 -2.657 -5.566 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.395 -2.905 -5.264 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.969 -3.377 -4.555 1.00 0.00 C ATOM 1658 CD1 ILE A 103 0.799 -2.563 -3.846 1.00 0.00 C ATOM 0 H ILE A 103 -0.433 -1.367 -7.623 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.936 -4.075 -7.177 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.282 -1.588 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.623 -3.954 -5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.000 -2.318 -5.955 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.719 -3.041 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.015 -3.153 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.806 -4.452 -4.630 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.861 -2.766 -3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.605 -1.507 -3.657 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.222 -3.169 -3.147 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.651 -2.152 -7.105 1.00 0.00 N ATOM 1671 CA TYR A 104 -5.106 -2.180 -7.233 1.00 0.00 C ATOM 1672 C TYR A 104 -5.522 -2.261 -8.698 1.00 0.00 C ATOM 1673 O TYR A 104 -5.078 -1.463 -9.525 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.726 -0.940 -6.583 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.555 -0.890 -5.081 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -4.390 -0.395 -4.515 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -6.560 -1.339 -4.231 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -4.228 -0.346 -3.142 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -6.406 -1.293 -2.859 1.00 0.00 C ATOM 1680 CZ TYR A 104 -5.238 -0.796 -2.320 1.00 0.00 C ATOM 1681 OH TYR A 104 -5.080 -0.750 -0.954 1.00 0.00 O ATOM 0 H TYR A 104 -3.254 -1.220 -6.982 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.471 -3.069 -6.719 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.277 -0.048 -7.021 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.790 -0.910 -6.820 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -3.596 -0.042 -5.156 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.475 -1.730 -4.650 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -3.315 0.043 -2.717 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.196 -1.644 -2.212 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.324 -0.167 -0.732 1.00 0.00 H new