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 26 THR OG1 : rot 16:sc= -1.49! USER MOD Set 1.2: A 50 MET CE :methyl -122:sc= -0.139 (180deg=-3.49!) USER MOD Single : A 31 LYS NZ :NH3+ 166:sc= -0.0286 (180deg=-0.225) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -0.0202 (180deg=-0.268) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0887 USER MOD Single : A 44 GLN : amide:sc= -0.0617 K(o=-0.062,f=-0.62) USER MOD Single : A 45 LYS NZ :NH3+ -153:sc= 0.302 (180deg=-1.84!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -74:sc= -2.59 USER MOD Single : A 49 THR OG1 : rot -170:sc= -1.69! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.471 USER MOD Single : A 59 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.1) USER MOD Single : A 60 TYR OH : rot -15:sc= -0.495 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= -0.0379 (180deg=-0.301) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -2.03 K(o=-2,f=-1.5) USER MOD Single : A 76 TYR OH : rot -15:sc= 0.0662 USER MOD Single : A 77 CYS SG : rot 18:sc= 0.875 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -3.13! K(o=-3.1!,f=-0.26) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 40:sc= 0.665 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.4!) USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= -0.0442 (180deg=-0.281) USER MOD Single : A 100 TYR OH : rot 172:sc= -1.13! USER MOD Single : A 101 THR OG1 : rot 96:sc= 1.28 USER MOD Single : A 102 MET CE :methyl 158:sc= -6.28! (180deg=-8.56!) USER MOD Single : A 104 TYR OH : rot 18:sc= -1.64! USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -10.684 1.150 -0.384 1.00 0.00 N ATOM 348 CA THR A 26 -11.392 -0.098 -0.602 1.00 0.00 C ATOM 349 C THR A 26 -11.844 -0.692 0.725 1.00 0.00 C ATOM 350 O THR A 26 -11.208 -0.474 1.754 1.00 0.00 O ATOM 351 CB THR A 26 -10.495 -1.109 -1.326 1.00 0.00 C ATOM 352 OG1 THR A 26 -9.894 -0.494 -2.471 1.00 0.00 O ATOM 353 CG2 THR A 26 -11.304 -2.314 -1.765 1.00 0.00 C ATOM 0 HA THR A 26 -12.264 0.115 -1.220 1.00 0.00 H new ATOM 0 HB THR A 26 -9.716 -1.437 -0.638 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.980 0.480 -2.402 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.653 -3.022 -2.277 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.746 -2.794 -0.891 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.096 -1.994 -2.442 1.00 0.00 H new ATOM 361 N LEU A 27 -12.894 -1.503 0.692 1.00 0.00 N ATOM 362 CA LEU A 27 -13.085 -2.507 1.717 1.00 0.00 C ATOM 363 C LEU A 27 -12.518 -3.817 1.234 1.00 0.00 C ATOM 364 O LEU A 27 -13.229 -4.801 1.033 1.00 0.00 O ATOM 365 CB LEU A 27 -14.552 -2.641 2.102 1.00 0.00 C ATOM 366 CG LEU A 27 -14.910 -1.895 3.384 1.00 0.00 C ATOM 367 CD1 LEU A 27 -14.055 -2.405 4.533 1.00 0.00 C ATOM 368 CD2 LEU A 27 -14.696 -0.402 3.194 1.00 0.00 C ATOM 0 H LEU A 27 -13.617 -1.482 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.556 -2.200 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.170 -2.265 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.793 -3.697 2.225 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.960 -2.072 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.315 -1.869 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.234 -3.471 4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.002 -2.241 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.954 0.123 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.651 -0.212 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.329 -0.044 2.382 1.00 0.00 H new ATOM 380 N VAL A 28 -11.223 -3.778 0.990 1.00 0.00 N ATOM 381 CA VAL A 28 -10.538 -4.816 0.254 1.00 0.00 C ATOM 382 C VAL A 28 -10.253 -6.004 1.148 1.00 0.00 C ATOM 383 O VAL A 28 -9.745 -5.854 2.259 1.00 0.00 O ATOM 384 CB VAL A 28 -9.221 -4.288 -0.328 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.555 -3.361 0.674 1.00 0.00 C ATOM 386 CG2 VAL A 28 -8.307 -5.436 -0.707 1.00 0.00 C ATOM 0 H VAL A 28 -10.615 -3.020 1.300 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.188 -5.131 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.431 -3.723 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.619 -2.987 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.217 -2.522 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.350 -3.907 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.378 -5.041 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.087 -6.034 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.798 -6.060 -1.454 1.00 0.00 H new ATOM 396 N ARG A 29 -10.611 -7.181 0.673 1.00 0.00 N ATOM 397 CA ARG A 29 -10.597 -8.364 1.508 1.00 0.00 C ATOM 398 C ARG A 29 -9.944 -9.533 0.772 1.00 0.00 C ATOM 399 O ARG A 29 -10.608 -10.511 0.429 1.00 0.00 O ATOM 400 CB ARG A 29 -12.025 -8.723 1.918 1.00 0.00 C ATOM 401 CG ARG A 29 -12.889 -7.509 2.237 1.00 0.00 C ATOM 402 CD ARG A 29 -14.338 -7.901 2.473 1.00 0.00 C ATOM 403 NE ARG A 29 -14.927 -8.550 1.305 1.00 0.00 N ATOM 404 CZ ARG A 29 -16.180 -8.993 1.260 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.973 -8.858 2.315 1.00 0.00 N ATOM 406 NH2 ARG A 29 -16.640 -9.572 0.160 1.00 0.00 N ATOM 0 H ARG A 29 -10.915 -7.343 -0.287 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.011 -8.157 2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.493 -9.291 1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.991 -9.374 2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.499 -7.006 3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.834 -6.796 1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.397 -8.573 3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.917 -7.013 2.725 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.344 -8.670 0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.622 -8.413 3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.934 -9.199 2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.033 -9.678 -0.653 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.601 -9.912 0.126 1.00 0.00 H new ATOM 420 N PRO A 30 -8.637 -9.419 0.479 1.00 0.00 N ATOM 421 CA PRO A 30 -7.948 -10.323 -0.438 1.00 0.00 C ATOM 422 C PRO A 30 -7.446 -11.590 0.246 1.00 0.00 C ATOM 423 O PRO A 30 -7.144 -11.587 1.439 1.00 0.00 O ATOM 424 CB PRO A 30 -6.773 -9.476 -0.917 1.00 0.00 C ATOM 425 CG PRO A 30 -6.441 -8.607 0.251 1.00 0.00 C ATOM 426 CD PRO A 30 -7.735 -8.369 0.994 1.00 0.00 C ATOM 0 HA PRO A 30 -8.602 -10.681 -1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.925 -10.098 -1.203 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.041 -8.882 -1.791 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.707 -9.089 0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.005 -7.664 -0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.598 -8.453 2.072 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.130 -7.372 0.800 1.00 0.00 H new ATOM 434 N LYS A 31 -7.326 -12.662 -0.532 1.00 0.00 N ATOM 435 CA LYS A 31 -6.657 -13.872 -0.070 1.00 0.00 C ATOM 436 C LYS A 31 -5.198 -13.576 0.274 1.00 0.00 C ATOM 437 O LYS A 31 -4.652 -12.561 -0.159 1.00 0.00 O ATOM 438 CB LYS A 31 -6.735 -14.958 -1.147 1.00 0.00 C ATOM 439 CG LYS A 31 -6.113 -14.548 -2.472 1.00 0.00 C ATOM 440 CD LYS A 31 -6.238 -15.652 -3.511 1.00 0.00 C ATOM 441 CE LYS A 31 -5.619 -15.241 -4.837 1.00 0.00 C ATOM 442 NZ LYS A 31 -4.170 -14.928 -4.703 1.00 0.00 N ATOM 0 H LYS A 31 -7.684 -12.716 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.160 -14.228 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.235 -15.855 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.780 -15.220 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.599 -13.644 -2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.061 -14.305 -2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.750 -16.555 -3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.290 -15.896 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.751 -16.043 -5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.144 -14.369 -5.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.735 -14.885 -5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.056 -14.010 -4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.705 -15.670 -4.141 1.00 0.00 H new ATOM 456 N PRO A 32 -4.551 -14.449 1.071 1.00 0.00 N ATOM 457 CA PRO A 32 -3.177 -14.239 1.533 1.00 0.00 C ATOM 458 C PRO A 32 -2.246 -13.789 0.410 1.00 0.00 C ATOM 459 O PRO A 32 -1.729 -14.610 -0.348 1.00 0.00 O ATOM 460 CB PRO A 32 -2.749 -15.616 2.069 1.00 0.00 C ATOM 461 CG PRO A 32 -3.870 -16.553 1.745 1.00 0.00 C ATOM 462 CD PRO A 32 -5.099 -15.704 1.594 1.00 0.00 C ATOM 0 HA PRO A 32 -3.124 -13.448 2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.820 -15.944 1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.571 -15.578 3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.663 -17.104 0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.002 -17.290 2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.819 -16.150 0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.612 -15.559 2.545 1.00 0.00 H new ATOM 470 N LEU A 33 -2.042 -12.479 0.311 1.00 0.00 N ATOM 471 CA LEU A 33 -1.182 -11.910 -0.720 1.00 0.00 C ATOM 472 C LEU A 33 -0.626 -10.561 -0.278 1.00 0.00 C ATOM 473 O LEU A 33 0.409 -10.112 -0.772 1.00 0.00 O ATOM 474 CB LEU A 33 -1.956 -11.758 -2.032 1.00 0.00 C ATOM 475 CG LEU A 33 -1.116 -11.320 -3.235 1.00 0.00 C ATOM 476 CD1 LEU A 33 -0.042 -12.352 -3.541 1.00 0.00 C ATOM 477 CD2 LEU A 33 -2.003 -11.101 -4.451 1.00 0.00 C ATOM 0 H LEU A 33 -2.462 -11.790 0.935 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.345 -12.590 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.431 -12.710 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.755 -11.032 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.627 -10.377 -2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.545 -12.023 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.612 -12.464 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.511 -13.309 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.390 -10.790 -5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.518 -12.029 -4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.737 -10.326 -4.231 1.00 0.00 H new ATOM 489 N LEU A 34 -1.305 -9.933 0.678 1.00 0.00 N ATOM 490 CA LEU A 34 -0.796 -8.731 1.313 1.00 0.00 C ATOM 491 C LEU A 34 -0.912 -8.849 2.817 1.00 0.00 C ATOM 492 O LEU A 34 -0.368 -8.040 3.561 1.00 0.00 O ATOM 493 CB LEU A 34 -1.572 -7.508 0.841 1.00 0.00 C ATOM 494 CG LEU A 34 -1.255 -7.054 -0.575 1.00 0.00 C ATOM 495 CD1 LEU A 34 -2.504 -7.111 -1.439 1.00 0.00 C ATOM 496 CD2 LEU A 34 -0.667 -5.655 -0.551 1.00 0.00 C ATOM 0 H LEU A 34 -2.212 -10.242 1.028 1.00 0.00 H new ATOM 0 HA LEU A 34 0.252 -8.615 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.638 -7.725 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.372 -6.683 1.525 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.516 -7.727 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.262 -6.783 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.879 -8.134 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.268 -6.457 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.443 -5.337 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.385 -4.966 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.249 -5.656 0.039 1.00 0.00 H new ATOM 508 N LEU A 35 -1.659 -9.846 3.258 1.00 0.00 N ATOM 509 CA LEU A 35 -1.996 -9.960 4.660 1.00 0.00 C ATOM 510 C LEU A 35 -0.901 -10.718 5.396 1.00 0.00 C ATOM 511 O LEU A 35 -0.565 -10.399 6.533 1.00 0.00 O ATOM 512 CB LEU A 35 -3.343 -10.672 4.838 1.00 0.00 C ATOM 513 CG LEU A 35 -4.419 -10.320 3.807 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.389 -8.836 3.483 1.00 0.00 C ATOM 515 CD2 LEU A 35 -4.244 -11.150 2.547 1.00 0.00 C ATOM 0 H LEU A 35 -2.041 -10.584 2.666 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.081 -8.957 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.172 -11.748 4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.727 -10.441 5.831 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.393 -10.553 4.237 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.162 -8.608 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.571 -8.262 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.413 -8.572 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.018 -10.885 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.263 -10.953 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.325 -12.208 2.794 1.00 0.00 H new ATOM 527 N LYS A 36 -0.295 -11.676 4.708 1.00 0.00 N ATOM 528 CA LYS A 36 1.011 -12.176 5.104 1.00 0.00 C ATOM 529 C LYS A 36 2.026 -11.041 5.077 1.00 0.00 C ATOM 530 O LYS A 36 3.126 -11.157 5.616 1.00 0.00 O ATOM 531 CB LYS A 36 1.456 -13.298 4.165 1.00 0.00 C ATOM 532 CG LYS A 36 2.679 -14.057 4.657 1.00 0.00 C ATOM 533 CD LYS A 36 3.075 -15.163 3.692 1.00 0.00 C ATOM 534 CE LYS A 36 4.292 -15.927 4.188 1.00 0.00 C ATOM 535 NZ LYS A 36 4.051 -16.557 5.516 1.00 0.00 N ATOM 0 H LYS A 36 -0.686 -12.120 3.877 1.00 0.00 H new ATOM 0 HA LYS A 36 0.945 -12.574 6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.632 -13.999 4.035 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.672 -12.875 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.512 -13.365 4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.472 -14.485 5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.240 -15.851 3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.288 -14.734 2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.557 -16.697 3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.143 -15.249 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.799 -17.253 5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.059 -15.825 6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.127 -17.034 5.511 1.00 0.00 H new ATOM 549 N LEU A 37 1.638 -9.941 4.435 1.00 0.00 N ATOM 550 CA LEU A 37 2.514 -8.799 4.257 1.00 0.00 C ATOM 551 C LEU A 37 2.149 -7.696 5.250 1.00 0.00 C ATOM 552 O LEU A 37 2.860 -6.699 5.379 1.00 0.00 O ATOM 553 CB LEU A 37 2.398 -8.296 2.814 1.00 0.00 C ATOM 554 CG LEU A 37 3.215 -7.057 2.479 1.00 0.00 C ATOM 555 CD1 LEU A 37 3.863 -7.196 1.112 1.00 0.00 C ATOM 556 CD2 LEU A 37 2.315 -5.843 2.521 1.00 0.00 C ATOM 0 H LEU A 37 0.711 -9.822 4.027 1.00 0.00 H new ATOM 0 HA LEU A 37 3.546 -9.094 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.700 -9.100 2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.349 -8.084 2.606 1.00 0.00 H new ATOM 0 HG LEU A 37 4.011 -6.941 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.443 -6.300 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.522 -8.064 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.090 -7.324 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.895 -4.952 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.512 -5.960 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.888 -5.741 3.519 1.00 0.00 H new ATOM 568 N LEU A 38 1.028 -7.885 5.946 1.00 0.00 N ATOM 569 CA LEU A 38 0.508 -6.869 6.857 1.00 0.00 C ATOM 570 C LEU A 38 0.286 -7.436 8.257 1.00 0.00 C ATOM 571 O LEU A 38 0.779 -6.890 9.243 1.00 0.00 O ATOM 572 CB LEU A 38 -0.798 -6.291 6.310 1.00 0.00 C ATOM 573 CG LEU A 38 -0.664 -5.559 4.975 1.00 0.00 C ATOM 574 CD1 LEU A 38 -1.905 -4.741 4.681 1.00 0.00 C ATOM 575 CD2 LEU A 38 0.561 -4.673 4.981 1.00 0.00 C ATOM 0 H LEU A 38 0.463 -8.733 5.895 1.00 0.00 H new ATOM 0 HA LEU A 38 1.250 -6.074 6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.517 -7.102 6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.211 -5.602 7.047 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.553 -6.304 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.786 -4.229 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.772 -5.400 4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.051 -4.005 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.643 -4.159 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.475 -3.938 5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.450 -5.283 5.142 1.00 0.00 H new ATOM 587 N LYS A 39 -0.437 -8.547 8.337 1.00 0.00 N ATOM 588 CA LYS A 39 -0.585 -9.278 9.591 1.00 0.00 C ATOM 589 C LYS A 39 0.781 -9.598 10.194 1.00 0.00 C ATOM 590 O LYS A 39 0.890 -9.919 11.377 1.00 0.00 O ATOM 591 CB LYS A 39 -1.381 -10.562 9.361 1.00 0.00 C ATOM 592 CG LYS A 39 -2.719 -10.314 8.687 1.00 0.00 C ATOM 593 CD LYS A 39 -3.463 -11.605 8.391 1.00 0.00 C ATOM 594 CE LYS A 39 -2.662 -12.524 7.485 1.00 0.00 C ATOM 595 NZ LYS A 39 -3.352 -13.824 7.260 1.00 0.00 N ATOM 0 H LYS A 39 -0.931 -8.962 7.547 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.129 -8.649 10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.792 -11.244 8.748 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.548 -11.057 10.318 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.334 -9.681 9.327 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.559 -9.768 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.684 -12.119 9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.419 -11.374 7.921 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.494 -12.032 6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.682 -12.705 7.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.772 -14.421 6.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.490 -14.306 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.276 -13.654 6.815 1.00 0.00 H new ATOM 609 N SER A 40 1.823 -9.469 9.377 1.00 0.00 N ATOM 610 CA SER A 40 3.196 -9.524 9.867 1.00 0.00 C ATOM 611 C SER A 40 3.541 -8.263 10.653 1.00 0.00 C ATOM 612 O SER A 40 3.913 -8.334 11.824 1.00 0.00 O ATOM 613 CB SER A 40 4.168 -9.690 8.698 1.00 0.00 C ATOM 614 OG SER A 40 3.994 -8.661 7.740 1.00 0.00 O ATOM 0 H SER A 40 1.742 -9.325 8.370 1.00 0.00 H new ATOM 0 HA SER A 40 3.286 -10.383 10.532 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.193 -9.677 9.069 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.012 -10.660 8.226 1.00 0.00 H new ATOM 0 HG SER A 40 4.628 -8.789 7.004 1.00 0.00 H new ATOM 620 N VAL A 41 3.401 -7.109 10.003 1.00 0.00 N ATOM 621 CA VAL A 41 3.604 -5.822 10.666 1.00 0.00 C ATOM 622 C VAL A 41 2.840 -5.767 11.981 1.00 0.00 C ATOM 623 O VAL A 41 3.431 -5.781 13.062 1.00 0.00 O ATOM 624 CB VAL A 41 3.139 -4.632 9.794 1.00 0.00 C ATOM 625 CG1 VAL A 41 4.146 -3.498 9.855 1.00 0.00 C ATOM 626 CG2 VAL A 41 2.894 -5.055 8.358 1.00 0.00 C ATOM 0 H VAL A 41 3.148 -7.039 9.017 1.00 0.00 H new ATOM 0 HA VAL A 41 4.677 -5.737 10.840 1.00 0.00 H new ATOM 0 HB VAL A 41 2.191 -4.277 10.199 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.800 -2.671 9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.251 -3.160 10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.111 -3.848 9.488 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.569 -4.193 7.775 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.816 -5.453 7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.121 -5.823 8.332 1.00 0.00 H new ATOM 636 N GLY A 42 1.520 -5.699 11.872 1.00 0.00 N ATOM 637 CA GLY A 42 0.676 -5.607 13.045 1.00 0.00 C ATOM 638 C GLY A 42 -0.764 -5.951 12.734 1.00 0.00 C ATOM 639 O GLY A 42 -1.565 -6.181 13.641 1.00 0.00 O ATOM 0 H GLY A 42 1.017 -5.706 10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.051 -6.280 13.816 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.728 -4.597 13.451 1.00 0.00 H new ATOM 643 N ALA A 43 -1.090 -5.985 11.446 1.00 0.00 N ATOM 644 CA ALA A 43 -2.450 -6.291 11.011 1.00 0.00 C ATOM 645 C ALA A 43 -2.904 -7.650 11.535 1.00 0.00 C ATOM 646 O ALA A 43 -2.102 -8.419 12.067 1.00 0.00 O ATOM 647 CB ALA A 43 -2.539 -6.249 9.494 1.00 0.00 C ATOM 0 H ALA A 43 -0.434 -5.805 10.686 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.116 -5.534 11.424 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.558 -6.479 9.183 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.268 -5.254 9.141 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.855 -6.984 9.069 1.00 0.00 H new ATOM 653 N GLN A 44 -4.195 -7.939 11.390 1.00 0.00 N ATOM 654 CA GLN A 44 -4.758 -9.190 11.891 1.00 0.00 C ATOM 655 C GLN A 44 -6.202 -9.372 11.426 1.00 0.00 C ATOM 656 O GLN A 44 -6.720 -10.489 11.413 1.00 0.00 O ATOM 657 CB GLN A 44 -4.695 -9.223 13.421 1.00 0.00 C ATOM 658 CG GLN A 44 -5.180 -10.532 14.026 1.00 0.00 C ATOM 659 CD GLN A 44 -4.350 -11.722 13.584 1.00 0.00 C ATOM 660 OE1 GLN A 44 -3.157 -11.593 13.305 1.00 0.00 O ATOM 661 NE2 GLN A 44 -4.979 -12.890 13.517 1.00 0.00 N ATOM 0 H GLN A 44 -4.869 -7.326 10.931 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.164 -10.010 11.488 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.667 -9.046 13.737 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.296 -8.405 13.818 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.152 -10.458 15.113 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.220 -10.695 13.744 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.968 -12.951 13.757 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.473 -13.726 13.225 1.00 0.00 H new ATOM 670 N LYS A 45 -6.850 -8.269 11.063 1.00 0.00 N ATOM 671 CA LYS A 45 -8.266 -8.297 10.704 1.00 0.00 C ATOM 672 C LYS A 45 -8.522 -9.254 9.546 1.00 0.00 C ATOM 673 O LYS A 45 -7.595 -9.659 8.844 1.00 0.00 O ATOM 674 CB LYS A 45 -8.748 -6.895 10.327 1.00 0.00 C ATOM 675 CG LYS A 45 -8.409 -5.832 11.361 1.00 0.00 C ATOM 676 CD LYS A 45 -8.992 -4.479 10.983 1.00 0.00 C ATOM 677 CE LYS A 45 -8.418 -3.965 9.671 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.046 -2.681 9.254 1.00 0.00 N ATOM 0 H LYS A 45 -6.419 -7.346 11.009 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.822 -8.649 11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.306 -6.613 9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.828 -6.918 10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.793 -6.135 12.335 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.326 -5.749 11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.076 -4.560 10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.787 -3.760 11.776 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.342 -3.825 9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.568 -4.712 8.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.000 -2.592 8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.040 -2.666 9.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.537 -1.887 9.692 1.00 0.00 H new ATOM 692 N ASP A 46 -9.791 -9.599 9.342 1.00 0.00 N ATOM 693 CA ASP A 46 -10.186 -10.444 8.222 1.00 0.00 C ATOM 694 C ASP A 46 -10.426 -9.604 6.971 1.00 0.00 C ATOM 695 O ASP A 46 -10.406 -10.118 5.853 1.00 0.00 O ATOM 696 CB ASP A 46 -11.450 -11.233 8.571 1.00 0.00 C ATOM 697 CG ASP A 46 -11.254 -12.135 9.773 1.00 0.00 C ATOM 698 OD1 ASP A 46 -11.495 -11.674 10.909 1.00 0.00 O ATOM 699 OD2 ASP A 46 -10.857 -13.303 9.581 1.00 0.00 O ATOM 0 H ASP A 46 -10.563 -9.305 9.940 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.375 -11.144 8.021 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.265 -10.538 8.771 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.748 -11.835 7.713 1.00 0.00 H new ATOM 704 N THR A 47 -10.636 -8.305 7.169 1.00 0.00 N ATOM 705 CA THR A 47 -10.772 -7.374 6.057 1.00 0.00 C ATOM 706 C THR A 47 -9.682 -6.319 6.091 1.00 0.00 C ATOM 707 O THR A 47 -9.031 -6.113 7.115 1.00 0.00 O ATOM 708 CB THR A 47 -12.135 -6.655 6.070 1.00 0.00 C ATOM 709 OG1 THR A 47 -12.380 -6.096 7.365 1.00 0.00 O ATOM 710 CG2 THR A 47 -13.264 -7.601 5.702 1.00 0.00 C ATOM 0 H THR A 47 -10.715 -7.875 8.091 1.00 0.00 H new ATOM 0 HA THR A 47 -10.689 -7.971 5.149 1.00 0.00 H new ATOM 0 HB THR A 47 -12.100 -5.859 5.326 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.247 -5.639 7.365 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.211 -7.062 5.721 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.093 -8.000 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.299 -8.422 6.419 1.00 0.00 H new ATOM 718 N TYR A 48 -9.506 -5.634 4.970 1.00 0.00 N ATOM 719 CA TYR A 48 -8.582 -4.518 4.904 1.00 0.00 C ATOM 720 C TYR A 48 -9.183 -3.346 4.157 1.00 0.00 C ATOM 721 O TYR A 48 -10.265 -3.446 3.574 1.00 0.00 O ATOM 722 CB TYR A 48 -7.290 -4.946 4.226 1.00 0.00 C ATOM 723 CG TYR A 48 -6.394 -5.764 5.112 1.00 0.00 C ATOM 724 CD1 TYR A 48 -6.625 -7.120 5.309 1.00 0.00 C ATOM 725 CD2 TYR A 48 -5.310 -5.179 5.745 1.00 0.00 C ATOM 726 CE1 TYR A 48 -5.790 -7.870 6.118 1.00 0.00 C ATOM 727 CE2 TYR A 48 -4.471 -5.922 6.553 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.716 -7.265 6.733 1.00 0.00 C ATOM 729 OH TYR A 48 -3.885 -8.006 7.533 1.00 0.00 O ATOM 0 H TYR A 48 -9.992 -5.834 4.096 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.371 -4.201 5.926 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.531 -5.523 3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.750 -4.058 3.896 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.466 -7.594 4.825 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.118 -4.126 5.605 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.979 -8.923 6.266 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.629 -5.453 7.040 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.336 -8.201 8.381 1.00 0.00 H new ATOM 739 N THR A 49 -8.459 -2.239 4.163 1.00 0.00 N ATOM 740 CA THR A 49 -8.865 -1.059 3.420 1.00 0.00 C ATOM 741 C THR A 49 -7.656 -0.376 2.801 1.00 0.00 C ATOM 742 O THR A 49 -6.538 -0.519 3.293 1.00 0.00 O ATOM 743 CB THR A 49 -9.615 -0.053 4.314 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.745 0.432 5.343 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.842 -0.694 4.946 1.00 0.00 C ATOM 0 H THR A 49 -7.584 -2.133 4.676 1.00 0.00 H new ATOM 0 HA THR A 49 -9.541 -1.392 2.633 1.00 0.00 H new ATOM 0 HB THR A 49 -9.940 0.778 3.688 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.265 0.944 5.997 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.353 0.038 5.572 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.518 -1.036 4.162 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.535 -1.543 5.557 1.00 0.00 H new ATOM 753 N MET A 50 -7.878 0.357 1.719 1.00 0.00 N ATOM 754 CA MET A 50 -6.791 1.028 1.017 1.00 0.00 C ATOM 755 C MET A 50 -5.966 1.890 1.971 1.00 0.00 C ATOM 756 O MET A 50 -4.795 2.167 1.711 1.00 0.00 O ATOM 757 CB MET A 50 -7.346 1.892 -0.114 1.00 0.00 C ATOM 758 CG MET A 50 -7.534 1.148 -1.425 1.00 0.00 C ATOM 759 SD MET A 50 -7.859 2.266 -2.803 1.00 0.00 S ATOM 760 CE MET A 50 -7.973 1.111 -4.167 1.00 0.00 C ATOM 0 H MET A 50 -8.800 0.503 1.308 1.00 0.00 H new ATOM 0 HA MET A 50 -6.139 0.261 0.598 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.305 2.307 0.197 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.673 2.733 -0.279 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.641 0.561 -1.639 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.361 0.445 -1.327 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.233 1.368 -4.924 1.00 0.00 H new ATOM 0 HE2 MET A 50 -7.785 0.100 -3.805 1.00 0.00 H new ATOM 0 HE3 MET A 50 -8.971 1.161 -4.603 1.00 0.00 H new ATOM 770 N LYS A 51 -6.581 2.310 3.074 1.00 0.00 N ATOM 771 CA LYS A 51 -5.898 3.153 4.051 1.00 0.00 C ATOM 772 C LYS A 51 -5.201 2.297 5.101 1.00 0.00 C ATOM 773 O LYS A 51 -4.087 2.602 5.534 1.00 0.00 O ATOM 774 CB LYS A 51 -6.890 4.106 4.724 1.00 0.00 C ATOM 775 CG LYS A 51 -7.984 3.397 5.507 1.00 0.00 C ATOM 776 CD LYS A 51 -8.896 4.389 6.211 1.00 0.00 C ATOM 777 CE LYS A 51 -9.955 3.680 7.039 1.00 0.00 C ATOM 778 NZ LYS A 51 -10.859 4.643 7.727 1.00 0.00 N ATOM 0 H LYS A 51 -7.546 2.082 3.313 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.147 3.743 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.345 4.768 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.350 4.735 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.572 2.776 4.832 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.533 2.730 6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.302 5.037 6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.378 5.029 5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.543 3.027 6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.471 3.044 7.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.567 4.120 8.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.302 5.249 8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.341 5.233 7.019 1.00 0.00 H new ATOM 792 N GLU A 52 -5.856 1.205 5.487 1.00 0.00 N ATOM 793 CA GLU A 52 -5.251 0.224 6.374 1.00 0.00 C ATOM 794 C GLU A 52 -3.944 -0.284 5.786 1.00 0.00 C ATOM 795 O GLU A 52 -2.908 -0.283 6.449 1.00 0.00 O ATOM 796 CB GLU A 52 -6.214 -0.943 6.595 1.00 0.00 C ATOM 797 CG GLU A 52 -6.235 -1.456 8.027 1.00 0.00 C ATOM 798 CD GLU A 52 -6.679 -0.397 9.019 1.00 0.00 C ATOM 799 OE1 GLU A 52 -7.903 -0.245 9.218 1.00 0.00 O ATOM 800 OE2 GLU A 52 -5.803 0.277 9.600 1.00 0.00 O ATOM 0 H GLU A 52 -6.808 0.980 5.197 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.042 0.699 7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.220 -0.630 6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.938 -1.761 5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.905 -2.313 8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.240 -1.808 8.298 1.00 0.00 H new ATOM 807 N VAL A 53 -4.001 -0.705 4.528 1.00 0.00 N ATOM 808 CA VAL A 53 -2.820 -1.170 3.817 1.00 0.00 C ATOM 809 C VAL A 53 -1.921 0.000 3.428 1.00 0.00 C ATOM 810 O VAL A 53 -0.715 -0.166 3.248 1.00 0.00 O ATOM 811 CB VAL A 53 -3.203 -1.952 2.548 1.00 0.00 C ATOM 812 CG1 VAL A 53 -1.975 -2.595 1.922 1.00 0.00 C ATOM 813 CG2 VAL A 53 -4.259 -3.000 2.864 1.00 0.00 C ATOM 0 H VAL A 53 -4.859 -0.733 3.978 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.280 -1.832 4.494 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.623 -1.251 1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.268 -3.143 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.255 -1.821 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.521 -3.282 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.517 -3.542 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.869 -3.698 3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.149 -2.512 3.260 1.00 0.00 H new ATOM 823 N LEU A 54 -2.513 1.188 3.312 1.00 0.00 N ATOM 824 CA LEU A 54 -1.747 2.396 3.029 1.00 0.00 C ATOM 825 C LEU A 54 -0.553 2.512 3.968 1.00 0.00 C ATOM 826 O LEU A 54 0.595 2.344 3.553 1.00 0.00 O ATOM 827 CB LEU A 54 -2.633 3.638 3.157 1.00 0.00 C ATOM 828 CG LEU A 54 -1.913 4.978 2.973 1.00 0.00 C ATOM 829 CD1 LEU A 54 -1.303 5.071 1.583 1.00 0.00 C ATOM 830 CD2 LEU A 54 -2.872 6.135 3.213 1.00 0.00 C ATOM 0 H LEU A 54 -3.517 1.337 3.410 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.380 2.329 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.434 3.570 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.103 3.629 4.140 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.108 5.039 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.796 6.030 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.585 4.263 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.090 4.988 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.344 7.079 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.698 6.076 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.262 6.079 4.229 1.00 0.00 H new ATOM 842 N PHE A 55 -0.826 2.800 5.237 1.00 0.00 N ATOM 843 CA PHE A 55 0.239 2.983 6.214 1.00 0.00 C ATOM 844 C PHE A 55 0.935 1.659 6.512 1.00 0.00 C ATOM 845 O PHE A 55 2.149 1.619 6.706 1.00 0.00 O ATOM 846 CB PHE A 55 -0.306 3.601 7.505 1.00 0.00 C ATOM 847 CG PHE A 55 -1.089 2.644 8.361 1.00 0.00 C ATOM 848 CD1 PHE A 55 -2.417 2.372 8.082 1.00 0.00 C ATOM 849 CD2 PHE A 55 -0.495 2.021 9.447 1.00 0.00 C ATOM 850 CE1 PHE A 55 -3.139 1.497 8.869 1.00 0.00 C ATOM 851 CE2 PHE A 55 -1.212 1.143 10.237 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.536 0.881 9.949 1.00 0.00 C ATOM 0 H PHE A 55 -1.769 2.911 5.610 1.00 0.00 H new ATOM 0 HA PHE A 55 0.971 3.668 5.787 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.528 3.994 8.087 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.943 4.448 7.249 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.894 2.850 7.239 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.540 2.224 9.679 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.175 1.294 8.641 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.737 0.662 11.079 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.099 0.196 10.566 1.00 0.00 H new ATOM 862 N TYR A 56 0.157 0.579 6.556 1.00 0.00 N ATOM 863 CA TYR A 56 0.692 -0.730 6.919 1.00 0.00 C ATOM 864 C TYR A 56 1.749 -1.197 5.931 1.00 0.00 C ATOM 865 O TYR A 56 2.909 -1.377 6.295 1.00 0.00 O ATOM 866 CB TYR A 56 -0.424 -1.769 7.006 1.00 0.00 C ATOM 867 CG TYR A 56 -0.765 -2.160 8.423 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.221 -2.217 9.402 1.00 0.00 C ATOM 869 CD2 TYR A 56 -2.068 -2.473 8.783 1.00 0.00 C ATOM 870 CE1 TYR A 56 -0.083 -2.574 10.699 1.00 0.00 C ATOM 871 CE2 TYR A 56 -2.383 -2.832 10.078 1.00 0.00 C ATOM 872 CZ TYR A 56 -1.386 -2.882 11.034 1.00 0.00 C ATOM 873 OH TYR A 56 -1.696 -3.238 12.326 1.00 0.00 O ATOM 0 H TYR A 56 -0.841 0.585 6.346 1.00 0.00 H new ATOM 0 HA TYR A 56 1.160 -0.624 7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.317 -1.375 6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.126 -2.659 6.452 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.242 -1.978 9.142 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.849 -2.435 8.038 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.694 -2.612 11.448 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.402 -3.072 10.343 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.656 -3.422 12.393 1.00 0.00 H new ATOM 883 N LEU A 57 1.345 -1.394 4.683 1.00 0.00 N ATOM 884 CA LEU A 57 2.281 -1.793 3.643 1.00 0.00 C ATOM 885 C LEU A 57 3.460 -0.829 3.601 1.00 0.00 C ATOM 886 O LEU A 57 4.594 -1.239 3.368 1.00 0.00 O ATOM 887 CB LEU A 57 1.582 -1.844 2.283 1.00 0.00 C ATOM 888 CG LEU A 57 2.413 -2.446 1.146 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.507 -3.109 0.121 1.00 0.00 C ATOM 890 CD2 LEU A 57 3.270 -1.378 0.484 1.00 0.00 C ATOM 0 H LEU A 57 0.381 -1.285 4.368 1.00 0.00 H new ATOM 0 HA LEU A 57 2.654 -2.791 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.663 -2.422 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.292 -0.831 2.003 1.00 0.00 H new ATOM 0 HG LEU A 57 3.074 -3.203 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.113 -3.532 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.935 -3.903 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.823 -2.368 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.853 -1.826 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.628 -0.597 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.945 -0.944 1.222 1.00 0.00 H new ATOM 902 N GLY A 58 3.186 0.444 3.873 1.00 0.00 N ATOM 903 CA GLY A 58 4.254 1.407 4.062 1.00 0.00 C ATOM 904 C GLY A 58 5.253 0.964 5.115 1.00 0.00 C ATOM 905 O GLY A 58 6.463 1.029 4.896 1.00 0.00 O ATOM 0 H GLY A 58 2.244 0.824 3.966 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.772 1.561 3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.827 2.367 4.352 1.00 0.00 H new ATOM 909 N GLN A 59 4.747 0.499 6.254 1.00 0.00 N ATOM 910 CA GLN A 59 5.603 -0.029 7.311 1.00 0.00 C ATOM 911 C GLN A 59 6.442 -1.188 6.790 1.00 0.00 C ATOM 912 O GLN A 59 7.658 -1.220 6.974 1.00 0.00 O ATOM 913 CB GLN A 59 4.770 -0.503 8.506 1.00 0.00 C ATOM 914 CG GLN A 59 3.688 0.473 8.942 1.00 0.00 C ATOM 915 CD GLN A 59 4.209 1.884 9.128 1.00 0.00 C ATOM 916 OE1 GLN A 59 5.371 2.090 9.481 1.00 0.00 O ATOM 917 NE2 GLN A 59 3.349 2.869 8.893 1.00 0.00 N ATOM 0 H GLN A 59 3.750 0.477 6.468 1.00 0.00 H new ATOM 0 HA GLN A 59 6.261 0.776 7.637 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.304 -1.455 8.254 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.437 -0.688 9.348 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.891 0.480 8.199 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.248 0.127 9.877 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.395 2.655 8.602 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.643 3.840 9.003 1.00 0.00 H new ATOM 926 N TYR A 60 5.779 -2.150 6.154 1.00 0.00 N ATOM 927 CA TYR A 60 6.444 -3.359 5.687 1.00 0.00 C ATOM 928 C TYR A 60 7.605 -3.041 4.737 1.00 0.00 C ATOM 929 O TYR A 60 8.628 -3.722 4.758 1.00 0.00 O ATOM 930 CB TYR A 60 5.435 -4.280 5.002 1.00 0.00 C ATOM 931 CG TYR A 60 6.048 -5.551 4.471 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.349 -6.606 5.320 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.330 -5.690 3.121 1.00 0.00 C ATOM 934 CE1 TYR A 60 6.916 -7.768 4.836 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.896 -6.848 2.628 1.00 0.00 C ATOM 936 CZ TYR A 60 7.188 -7.885 3.489 1.00 0.00 C ATOM 937 OH TYR A 60 7.754 -9.040 3.003 1.00 0.00 O ATOM 0 H TYR A 60 4.780 -2.114 5.951 1.00 0.00 H new ATOM 0 HA TYR A 60 6.863 -3.865 6.557 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.647 -4.534 5.711 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.963 -3.742 4.180 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.137 -6.517 6.375 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.103 -4.879 2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.145 -8.581 5.509 1.00 0.00 H new ATOM 0 HE2 TYR A 60 7.109 -6.942 1.573 1.00 0.00 H new ATOM 0 HH TYR A 60 8.115 -9.566 3.747 1.00 0.00 H new ATOM 947 N ILE A 61 7.455 -1.996 3.921 1.00 0.00 N ATOM 948 CA ILE A 61 8.562 -1.524 3.086 1.00 0.00 C ATOM 949 C ILE A 61 9.705 -1.039 3.956 1.00 0.00 C ATOM 950 O ILE A 61 10.879 -1.257 3.656 1.00 0.00 O ATOM 951 CB ILE A 61 8.140 -0.369 2.148 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.761 -0.634 1.549 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.168 -0.183 1.041 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.579 -2.057 1.080 1.00 0.00 C ATOM 0 H ILE A 61 6.589 -1.466 3.820 1.00 0.00 H new ATOM 0 HA ILE A 61 8.874 -2.371 2.475 1.00 0.00 H new ATOM 0 HB ILE A 61 8.088 0.547 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.999 -0.403 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.601 0.042 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.857 0.633 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.137 0.053 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.247 -1.102 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.578 -2.178 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.320 -2.285 0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.708 -2.737 1.922 1.00 0.00 H new ATOM 966 N MET A 62 9.339 -0.378 5.042 1.00 0.00 N ATOM 967 CA MET A 62 10.316 0.146 5.992 1.00 0.00 C ATOM 968 C MET A 62 11.039 -0.988 6.711 1.00 0.00 C ATOM 969 O MET A 62 12.196 -1.285 6.414 1.00 0.00 O ATOM 970 CB MET A 62 9.631 1.060 7.011 1.00 0.00 C ATOM 971 CG MET A 62 8.968 2.279 6.387 1.00 0.00 C ATOM 972 SD MET A 62 8.162 3.331 7.608 1.00 0.00 S ATOM 973 CE MET A 62 7.509 4.628 6.559 1.00 0.00 C ATOM 0 H MET A 62 8.368 -0.189 5.291 1.00 0.00 H new ATOM 0 HA MET A 62 11.052 0.725 5.435 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.880 0.486 7.554 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.368 1.392 7.742 1.00 0.00 H new ATOM 0 HG2 MET A 62 9.717 2.860 5.850 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.232 1.952 5.653 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.980 5.359 7.171 1.00 0.00 H new ATOM 0 HE2 MET A 62 8.329 5.119 6.034 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.820 4.196 5.833 1.00 0.00 H new ATOM 983 N THR A 63 10.345 -1.631 7.647 1.00 0.00 N ATOM 984 CA THR A 63 10.887 -2.797 8.338 1.00 0.00 C ATOM 985 C THR A 63 11.155 -3.932 7.358 1.00 0.00 C ATOM 986 O THR A 63 10.775 -3.855 6.190 1.00 0.00 O ATOM 987 CB THR A 63 9.931 -3.294 9.436 1.00 0.00 C ATOM 988 OG1 THR A 63 8.670 -3.657 8.862 1.00 0.00 O ATOM 989 CG2 THR A 63 9.721 -2.223 10.498 1.00 0.00 C ATOM 0 H THR A 63 9.406 -1.364 7.944 1.00 0.00 H new ATOM 0 HA THR A 63 11.824 -2.488 8.800 1.00 0.00 H new ATOM 0 HB THR A 63 10.380 -4.168 9.908 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.068 -3.974 9.568 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.041 -2.598 11.263 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.678 -1.971 10.955 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.293 -1.333 10.037 1.00 0.00 H new ATOM 997 N LYS A 64 11.822 -4.980 7.834 1.00 0.00 N ATOM 998 CA LYS A 64 12.192 -6.101 6.978 1.00 0.00 C ATOM 999 C LYS A 64 13.047 -5.614 5.816 1.00 0.00 C ATOM 1000 O LYS A 64 12.575 -5.516 4.683 1.00 0.00 O ATOM 1001 CB LYS A 64 10.942 -6.814 6.454 1.00 0.00 C ATOM 1002 CG LYS A 64 10.047 -7.379 7.549 1.00 0.00 C ATOM 1003 CD LYS A 64 10.616 -8.660 8.144 1.00 0.00 C ATOM 1004 CE LYS A 64 11.650 -8.375 9.222 1.00 0.00 C ATOM 1005 NZ LYS A 64 12.202 -9.626 9.809 1.00 0.00 N ATOM 0 H LYS A 64 12.116 -5.075 8.806 1.00 0.00 H new ATOM 0 HA LYS A 64 12.771 -6.811 7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.363 -6.115 5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.249 -7.626 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.925 -6.636 8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.056 -7.577 7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.806 -9.255 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.071 -9.257 7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.462 -7.784 8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.196 -7.774 10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.903 -9.387 10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.431 -10.178 10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.658 -10.188 9.062 1.00 0.00 H new ATOM 1019 N ARG A 65 14.293 -5.272 6.123 1.00 0.00 N ATOM 1020 CA ARG A 65 15.170 -4.591 5.174 1.00 0.00 C ATOM 1021 C ARG A 65 15.179 -5.286 3.813 1.00 0.00 C ATOM 1022 O ARG A 65 15.960 -6.209 3.579 1.00 0.00 O ATOM 1023 CB ARG A 65 16.594 -4.519 5.729 1.00 0.00 C ATOM 1024 CG ARG A 65 16.699 -3.745 7.032 1.00 0.00 C ATOM 1025 CD ARG A 65 18.136 -3.662 7.519 1.00 0.00 C ATOM 1026 NE ARG A 65 18.710 -4.982 7.761 1.00 0.00 N ATOM 1027 CZ ARG A 65 19.934 -5.178 8.240 1.00 0.00 C ATOM 1028 NH1 ARG A 65 20.712 -4.142 8.527 1.00 0.00 N ATOM 1029 NH2 ARG A 65 20.383 -6.411 8.433 1.00 0.00 N ATOM 0 H ARG A 65 14.723 -5.457 7.029 1.00 0.00 H new ATOM 0 HA ARG A 65 14.782 -3.582 5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.966 -5.532 5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.242 -4.054 4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.303 -2.739 6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.084 -4.226 7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.739 -3.135 6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.174 -3.077 8.438 1.00 0.00 H new ATOM 0 HE ARG A 65 18.139 -5.801 7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.371 -3.192 8.380 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.651 -4.296 8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.789 -7.210 8.214 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.323 -6.560 8.801 1.00 0.00 H new ATOM 1043 N LEU A 66 14.338 -4.797 2.907 1.00 0.00 N ATOM 1044 CA LEU A 66 14.430 -5.159 1.498 1.00 0.00 C ATOM 1045 C LEU A 66 14.839 -3.949 0.663 1.00 0.00 C ATOM 1046 O LEU A 66 15.251 -4.088 -0.490 1.00 0.00 O ATOM 1047 CB LEU A 66 13.093 -5.711 0.993 1.00 0.00 C ATOM 1048 CG LEU A 66 12.919 -7.231 1.094 1.00 0.00 C ATOM 1049 CD1 LEU A 66 14.022 -7.950 0.331 1.00 0.00 C ATOM 1050 CD2 LEU A 66 12.895 -7.677 2.548 1.00 0.00 C ATOM 0 H LEU A 66 13.583 -4.147 3.125 1.00 0.00 H new ATOM 0 HA LEU A 66 15.190 -5.934 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.289 -5.234 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.971 -5.419 -0.050 1.00 0.00 H new ATOM 0 HG LEU A 66 11.962 -7.493 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.880 -9.027 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.986 -7.660 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.991 -7.678 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.771 -8.759 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.832 -7.398 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.065 -7.194 3.063 1.00 0.00 H new ATOM 1062 N TYR A 67 14.721 -2.764 1.257 1.00 0.00 N ATOM 1063 CA TYR A 67 15.086 -1.526 0.577 1.00 0.00 C ATOM 1064 C TYR A 67 16.571 -1.516 0.229 1.00 0.00 C ATOM 1065 O TYR A 67 17.348 -2.295 0.783 1.00 0.00 O ATOM 1066 CB TYR A 67 14.736 -0.316 1.448 1.00 0.00 C ATOM 1067 CG TYR A 67 15.609 -0.165 2.674 1.00 0.00 C ATOM 1068 CD1 TYR A 67 15.464 -1.014 3.764 1.00 0.00 C ATOM 1069 CD2 TYR A 67 16.575 0.830 2.740 1.00 0.00 C ATOM 1070 CE1 TYR A 67 16.260 -0.875 4.885 1.00 0.00 C ATOM 1071 CE2 TYR A 67 17.376 0.974 3.856 1.00 0.00 C ATOM 1072 CZ TYR A 67 17.214 0.120 4.926 1.00 0.00 C ATOM 1073 OH TYR A 67 18.008 0.260 6.041 1.00 0.00 O ATOM 0 H TYR A 67 14.375 -2.636 2.208 1.00 0.00 H new ATOM 0 HA TYR A 67 14.517 -1.466 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.816 0.588 0.844 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.696 -0.398 1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 67 14.718 -1.794 3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 67 16.702 1.503 1.905 1.00 0.00 H new ATOM 0 HE1 TYR A 67 16.136 -1.542 5.725 1.00 0.00 H new ATOM 0 HE2 TYR A 67 18.125 1.751 3.890 1.00 0.00 H new ATOM 0 HH TYR A 67 18.629 1.007 5.909 1.00 0.00 H new ATOM 1083 N ASP A 68 16.951 -0.661 -0.718 1.00 0.00 N ATOM 1084 CA ASP A 68 18.291 -0.710 -1.301 1.00 0.00 C ATOM 1085 C ASP A 68 19.360 -0.793 -0.222 1.00 0.00 C ATOM 1086 O ASP A 68 20.402 -1.422 -0.416 1.00 0.00 O ATOM 1087 CB ASP A 68 18.542 0.529 -2.162 1.00 0.00 C ATOM 1088 CG ASP A 68 19.225 0.196 -3.473 1.00 0.00 C ATOM 1089 OD1 ASP A 68 20.069 -0.724 -3.486 1.00 0.00 O ATOM 1090 OD2 ASP A 68 18.917 0.855 -4.488 1.00 0.00 O ATOM 0 H ASP A 68 16.352 0.072 -1.098 1.00 0.00 H new ATOM 0 HA ASP A 68 18.347 -1.606 -1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.593 1.024 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 68 19.157 1.236 -1.605 1.00 0.00 H new ATOM 1095 N GLU A 69 19.115 -0.100 0.891 1.00 0.00 N ATOM 1096 CA GLU A 69 20.166 0.223 1.849 1.00 0.00 C ATOM 1097 C GLU A 69 21.145 1.228 1.244 1.00 0.00 C ATOM 1098 O GLU A 69 22.064 1.702 1.913 1.00 0.00 O ATOM 1099 CB GLU A 69 20.904 -1.046 2.294 1.00 0.00 C ATOM 1100 CG GLU A 69 22.037 -0.785 3.267 1.00 0.00 C ATOM 1101 CD GLU A 69 22.757 -2.054 3.683 1.00 0.00 C ATOM 1102 OE1 GLU A 69 23.732 -2.434 3.001 1.00 0.00 O ATOM 1103 OE2 GLU A 69 22.345 -2.667 4.690 1.00 0.00 O ATOM 0 H GLU A 69 18.192 0.249 1.149 1.00 0.00 H new ATOM 0 HA GLU A 69 19.704 0.673 2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 69 20.190 -1.727 2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.302 -1.551 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 69 22.752 -0.100 2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 69 21.642 -0.289 4.154 1.00 0.00 H new ATOM 1110 N LYS A 70 20.930 1.560 -0.025 1.00 0.00 N ATOM 1111 CA LYS A 70 21.778 2.517 -0.722 1.00 0.00 C ATOM 1112 C LYS A 70 21.185 3.919 -0.650 1.00 0.00 C ATOM 1113 O LYS A 70 21.816 4.846 -0.144 1.00 0.00 O ATOM 1114 CB LYS A 70 21.963 2.100 -2.183 1.00 0.00 C ATOM 1115 CG LYS A 70 22.613 0.736 -2.353 1.00 0.00 C ATOM 1116 CD LYS A 70 24.036 0.718 -1.813 1.00 0.00 C ATOM 1117 CE LYS A 70 24.953 1.630 -2.614 1.00 0.00 C ATOM 1118 NZ LYS A 70 25.022 1.230 -4.047 1.00 0.00 N ATOM 0 H LYS A 70 20.173 1.178 -0.592 1.00 0.00 H new ATOM 0 HA LYS A 70 22.751 2.528 -0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.990 2.093 -2.675 1.00 0.00 H new ATOM 0 HB3 LYS A 70 22.572 2.848 -2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 70 22.018 -0.017 -1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 70 22.621 0.466 -3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.033 1.031 -0.769 1.00 0.00 H new ATOM 0 HD3 LYS A 70 24.422 -0.301 -1.839 1.00 0.00 H new ATOM 0 HE2 LYS A 70 24.597 2.658 -2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.954 1.608 -2.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 25.832 1.699 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 25.137 0.199 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 24.145 1.513 -4.529 1.00 0.00 H new ATOM 1132 N GLN A 71 19.963 4.065 -1.155 1.00 0.00 N ATOM 1133 CA GLN A 71 19.273 5.349 -1.116 1.00 0.00 C ATOM 1134 C GLN A 71 17.824 5.179 -0.674 1.00 0.00 C ATOM 1135 O GLN A 71 17.028 6.116 -0.752 1.00 0.00 O ATOM 1136 CB GLN A 71 19.326 6.025 -2.487 1.00 0.00 C ATOM 1137 CG GLN A 71 20.738 6.227 -3.011 1.00 0.00 C ATOM 1138 CD GLN A 71 20.764 6.875 -4.382 1.00 0.00 C ATOM 1139 OE1 GLN A 71 19.846 6.701 -5.183 1.00 0.00 O ATOM 1140 NE2 GLN A 71 21.824 7.627 -4.660 1.00 0.00 N ATOM 0 H GLN A 71 19.433 3.313 -1.594 1.00 0.00 H new ATOM 0 HA GLN A 71 19.782 5.981 -0.388 1.00 0.00 H new ATOM 0 HB2 GLN A 71 18.765 5.423 -3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 71 18.828 6.993 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.297 6.847 -2.310 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.245 5.263 -3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 71 22.562 7.744 -3.966 1.00 0.00 H new ATOM 0 HE22 GLN A 71 21.899 8.087 -5.567 1.00 0.00 H new ATOM 1149 N GLN A 72 17.496 3.983 -0.198 1.00 0.00 N ATOM 1150 CA GLN A 72 16.172 3.696 0.331 1.00 0.00 C ATOM 1151 C GLN A 72 15.112 3.805 -0.756 1.00 0.00 C ATOM 1152 O GLN A 72 15.327 4.431 -1.795 1.00 0.00 O ATOM 1153 CB GLN A 72 15.838 4.641 1.488 1.00 0.00 C ATOM 1154 CG GLN A 72 16.802 4.535 2.657 1.00 0.00 C ATOM 1155 CD GLN A 72 16.456 5.485 3.787 1.00 0.00 C ATOM 1156 OE1 GLN A 72 16.922 6.624 3.821 1.00 0.00 O ATOM 1157 NE2 GLN A 72 15.634 5.021 4.720 1.00 0.00 N ATOM 0 H GLN A 72 18.138 3.191 -0.169 1.00 0.00 H new ATOM 0 HA GLN A 72 16.177 2.672 0.703 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.838 5.667 1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.828 4.429 1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.799 3.512 3.034 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.814 4.744 2.309 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.271 4.070 4.653 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.365 5.615 5.504 1.00 0.00 H new ATOM 1166 N HIS A 73 13.966 3.193 -0.490 1.00 0.00 N ATOM 1167 CA HIS A 73 12.797 3.291 -1.364 1.00 0.00 C ATOM 1168 C HIS A 73 12.954 2.410 -2.599 1.00 0.00 C ATOM 1169 O HIS A 73 11.965 2.046 -3.237 1.00 0.00 O ATOM 1170 CB HIS A 73 12.546 4.745 -1.781 1.00 0.00 C ATOM 1171 CG HIS A 73 12.298 5.664 -0.626 1.00 0.00 C ATOM 1172 ND1 HIS A 73 13.288 6.430 -0.045 1.00 0.00 N ATOM 1173 CD2 HIS A 73 11.162 5.942 0.057 1.00 0.00 C ATOM 1174 CE1 HIS A 73 12.772 7.137 0.944 1.00 0.00 C ATOM 1175 NE2 HIS A 73 11.485 6.860 1.027 1.00 0.00 N ATOM 0 H HIS A 73 13.817 2.614 0.336 1.00 0.00 H new ATOM 0 HA HIS A 73 11.935 2.937 -0.799 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.406 5.107 -2.344 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.688 4.779 -2.453 1.00 0.00 H new ATOM 0 HD2 HIS A 73 10.185 5.521 -0.127 1.00 0.00 H new ATOM 0 HE1 HIS A 73 13.312 7.825 1.577 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.835 7.262 1.702 1.00 0.00 H new ATOM 1184 N ILE A 74 14.191 2.028 -2.910 1.00 0.00 N ATOM 1185 CA ILE A 74 14.428 0.971 -3.885 1.00 0.00 C ATOM 1186 C ILE A 74 14.375 -0.387 -3.210 1.00 0.00 C ATOM 1187 O ILE A 74 15.407 -0.992 -2.921 1.00 0.00 O ATOM 1188 CB ILE A 74 15.788 1.116 -4.592 1.00 0.00 C ATOM 1189 CG1 ILE A 74 16.130 2.587 -4.816 1.00 0.00 C ATOM 1190 CG2 ILE A 74 15.767 0.369 -5.918 1.00 0.00 C ATOM 1191 CD1 ILE A 74 15.064 3.350 -5.575 1.00 0.00 C ATOM 0 H ILE A 74 15.036 2.431 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 74 13.642 1.058 -4.635 1.00 0.00 H new ATOM 0 HB ILE A 74 16.558 0.683 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.288 3.066 -3.850 1.00 0.00 H new ATOM 0 HG13 ILE A 74 17.071 2.653 -5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.733 0.477 -6.412 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.568 -0.687 -5.737 1.00 0.00 H new ATOM 0 HG23 ILE A 74 14.986 0.782 -6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 74 15.376 4.387 -5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.921 2.897 -6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 74 14.127 3.316 -5.019 1.00 0.00 H new ATOM 1203 N VAL A 75 13.166 -0.848 -2.932 1.00 0.00 N ATOM 1204 CA VAL A 75 12.979 -2.052 -2.140 1.00 0.00 C ATOM 1205 C VAL A 75 12.784 -3.259 -3.045 1.00 0.00 C ATOM 1206 O VAL A 75 11.703 -3.479 -3.593 1.00 0.00 O ATOM 1207 CB VAL A 75 11.789 -1.910 -1.171 1.00 0.00 C ATOM 1208 CG1 VAL A 75 10.646 -1.167 -1.839 1.00 0.00 C ATOM 1209 CG2 VAL A 75 11.334 -3.267 -0.653 1.00 0.00 C ATOM 0 H VAL A 75 12.301 -0.407 -3.243 1.00 0.00 H new ATOM 0 HA VAL A 75 13.879 -2.200 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 75 12.119 -1.327 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.814 -1.076 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.982 -0.173 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.320 -1.718 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.493 -3.133 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.026 -3.892 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.156 -3.749 -0.124 1.00 0.00 H new ATOM 1219 N TYR A 76 13.860 -4.013 -3.225 1.00 0.00 N ATOM 1220 CA TYR A 76 13.877 -5.111 -4.179 1.00 0.00 C ATOM 1221 C TYR A 76 13.088 -6.305 -3.660 1.00 0.00 C ATOM 1222 O TYR A 76 13.197 -6.677 -2.493 1.00 0.00 O ATOM 1223 CB TYR A 76 15.320 -5.512 -4.471 1.00 0.00 C ATOM 1224 CG TYR A 76 16.139 -4.388 -5.059 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.781 -3.466 -4.242 1.00 0.00 C ATOM 1226 CD2 TYR A 76 16.269 -4.247 -6.432 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.528 -2.434 -4.779 1.00 0.00 C ATOM 1228 CE2 TYR A 76 17.016 -3.221 -6.978 1.00 0.00 C ATOM 1229 CZ TYR A 76 17.642 -2.318 -6.148 1.00 0.00 C ATOM 1230 OH TYR A 76 18.388 -1.294 -6.687 1.00 0.00 O ATOM 0 H TYR A 76 14.736 -3.882 -2.719 1.00 0.00 H new ATOM 0 HA TYR A 76 13.401 -4.776 -5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 76 15.790 -5.852 -3.548 1.00 0.00 H new ATOM 0 HB3 TYR A 76 15.324 -6.356 -5.161 1.00 0.00 H new ATOM 0 HD1 TYR A 76 16.695 -3.557 -3.169 1.00 0.00 H new ATOM 0 HD2 TYR A 76 15.778 -4.952 -7.086 1.00 0.00 H new ATOM 0 HE1 TYR A 76 18.019 -1.724 -4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 76 17.108 -3.128 -8.050 1.00 0.00 H new ATOM 0 HH TYR A 76 18.561 -0.618 -5.999 1.00 0.00 H new ATOM 1240 N CYS A 77 12.279 -6.891 -4.537 1.00 0.00 N ATOM 1241 CA CYS A 77 11.403 -7.991 -4.152 1.00 0.00 C ATOM 1242 C CYS A 77 11.498 -9.145 -5.145 1.00 0.00 C ATOM 1243 O CYS A 77 10.532 -9.463 -5.838 1.00 0.00 O ATOM 1244 CB CYS A 77 9.956 -7.502 -4.049 1.00 0.00 C ATOM 1245 SG CYS A 77 9.332 -6.710 -5.549 1.00 0.00 S ATOM 0 H CYS A 77 12.212 -6.622 -5.519 1.00 0.00 H new ATOM 0 HA CYS A 77 11.727 -8.356 -3.177 1.00 0.00 H new ATOM 0 HB2 CYS A 77 9.315 -8.349 -3.805 1.00 0.00 H new ATOM 0 HB3 CYS A 77 9.881 -6.797 -3.221 1.00 0.00 H new ATOM 0 HG CYS A 77 10.087 -7.034 -6.557 1.00 0.00 H new ATOM 1251 N SER A 78 12.664 -9.782 -5.195 1.00 0.00 N ATOM 1252 CA SER A 78 12.851 -10.972 -6.017 1.00 0.00 C ATOM 1253 C SER A 78 12.317 -12.209 -5.302 1.00 0.00 C ATOM 1254 O SER A 78 12.239 -13.290 -5.884 1.00 0.00 O ATOM 1255 CB SER A 78 14.331 -11.160 -6.354 1.00 0.00 C ATOM 1256 OG SER A 78 14.839 -10.042 -7.065 1.00 0.00 O ATOM 0 H SER A 78 13.493 -9.494 -4.676 1.00 0.00 H new ATOM 0 HA SER A 78 12.293 -10.837 -6.943 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.901 -11.301 -5.436 1.00 0.00 H new ATOM 0 HB3 SER A 78 14.459 -12.063 -6.950 1.00 0.00 H new ATOM 0 HG SER A 78 15.787 -10.186 -7.267 1.00 0.00 H new ATOM 1262 N ASN A 79 11.948 -12.033 -4.038 1.00 0.00 N ATOM 1263 CA ASN A 79 11.386 -13.120 -3.243 1.00 0.00 C ATOM 1264 C ASN A 79 10.624 -12.572 -2.041 1.00 0.00 C ATOM 1265 O ASN A 79 10.311 -13.307 -1.103 1.00 0.00 O ATOM 1266 CB ASN A 79 12.494 -14.071 -2.781 1.00 0.00 C ATOM 1267 CG ASN A 79 13.717 -13.342 -2.254 1.00 0.00 C ATOM 1268 OD1 ASN A 79 14.839 -13.834 -2.367 1.00 0.00 O ATOM 1269 ND2 ASN A 79 13.510 -12.166 -1.672 1.00 0.00 N ATOM 0 H ASN A 79 12.028 -11.146 -3.541 1.00 0.00 H new ATOM 0 HA ASN A 79 10.687 -13.675 -3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.103 -14.725 -2.001 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.789 -14.709 -3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.298 -11.636 -1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.564 -11.793 -1.598 1.00 0.00 H new ATOM 1276 N ASP A 80 10.336 -11.274 -2.074 1.00 0.00 N ATOM 1277 CA ASP A 80 9.647 -10.610 -0.974 1.00 0.00 C ATOM 1278 C ASP A 80 8.135 -10.804 -1.085 1.00 0.00 C ATOM 1279 O ASP A 80 7.624 -11.177 -2.142 1.00 0.00 O ATOM 1280 CB ASP A 80 9.987 -9.119 -0.967 1.00 0.00 C ATOM 1281 CG ASP A 80 9.405 -8.394 0.229 1.00 0.00 C ATOM 1282 OD1 ASP A 80 10.067 -8.369 1.288 1.00 0.00 O ATOM 1283 OD2 ASP A 80 8.287 -7.854 0.108 1.00 0.00 O ATOM 0 H ASP A 80 10.570 -10.660 -2.854 1.00 0.00 H new ATOM 0 HA ASP A 80 9.982 -11.057 -0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.070 -8.997 -0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.613 -8.661 -1.882 1.00 0.00 H new ATOM 1288 N LEU A 81 7.424 -10.551 0.009 1.00 0.00 N ATOM 1289 CA LEU A 81 5.972 -10.691 0.024 1.00 0.00 C ATOM 1290 C LEU A 81 5.324 -9.732 -0.972 1.00 0.00 C ATOM 1291 O LEU A 81 4.466 -10.129 -1.766 1.00 0.00 O ATOM 1292 CB LEU A 81 5.429 -10.439 1.431 1.00 0.00 C ATOM 1293 CG LEU A 81 5.912 -11.430 2.493 1.00 0.00 C ATOM 1294 CD1 LEU A 81 5.504 -10.965 3.881 1.00 0.00 C ATOM 1295 CD2 LEU A 81 5.365 -12.822 2.212 1.00 0.00 C ATOM 0 H LEU A 81 7.829 -10.249 0.895 1.00 0.00 H new ATOM 0 HA LEU A 81 5.724 -11.711 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.711 -9.432 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.340 -10.468 1.396 1.00 0.00 H new ATOM 0 HG LEU A 81 7.000 -11.475 2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.856 -11.682 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.945 -9.989 4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.418 -10.890 3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.719 -13.513 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.275 -12.794 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.709 -13.157 1.233 1.00 0.00 H new ATOM 1307 N LEU A 82 5.760 -8.478 -0.951 1.00 0.00 N ATOM 1308 CA LEU A 82 5.362 -7.526 -1.977 1.00 0.00 C ATOM 1309 C LEU A 82 5.639 -8.108 -3.360 1.00 0.00 C ATOM 1310 O LEU A 82 4.922 -7.832 -4.321 1.00 0.00 O ATOM 1311 CB LEU A 82 6.114 -6.203 -1.812 1.00 0.00 C ATOM 1312 CG LEU A 82 5.307 -4.949 -2.163 1.00 0.00 C ATOM 1313 CD1 LEU A 82 4.884 -4.973 -3.624 1.00 0.00 C ATOM 1314 CD2 LEU A 82 4.097 -4.817 -1.252 1.00 0.00 C ATOM 0 H LEU A 82 6.385 -8.100 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 82 4.294 -7.333 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.452 -6.121 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.006 -6.229 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 82 5.944 -4.078 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.312 -4.073 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.769 -5.011 -4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.267 -5.852 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.537 -3.920 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.457 -5.692 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.428 -4.744 -0.216 1.00 0.00 H new ATOM 1326 N GLY A 83 6.679 -8.933 -3.443 1.00 0.00 N ATOM 1327 CA GLY A 83 6.976 -9.635 -4.678 1.00 0.00 C ATOM 1328 C GLY A 83 5.836 -10.532 -5.120 1.00 0.00 C ATOM 1329 O GLY A 83 5.537 -10.621 -6.310 1.00 0.00 O ATOM 0 H GLY A 83 7.322 -9.128 -2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.190 -8.910 -5.463 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.876 -10.235 -4.545 1.00 0.00 H new ATOM 1333 N ASP A 84 5.185 -11.180 -4.155 1.00 0.00 N ATOM 1334 CA ASP A 84 3.979 -11.956 -4.442 1.00 0.00 C ATOM 1335 C ASP A 84 2.970 -11.108 -5.206 1.00 0.00 C ATOM 1336 O ASP A 84 2.246 -11.611 -6.066 1.00 0.00 O ATOM 1337 CB ASP A 84 3.346 -12.478 -3.148 1.00 0.00 C ATOM 1338 CG ASP A 84 4.294 -13.351 -2.344 1.00 0.00 C ATOM 1339 OD1 ASP A 84 5.500 -13.029 -2.294 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.828 -14.355 -1.765 1.00 0.00 O ATOM 0 H ASP A 84 5.469 -11.184 -3.175 1.00 0.00 H new ATOM 0 HA ASP A 84 4.265 -12.809 -5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.029 -11.633 -2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.450 -13.049 -3.391 1.00 0.00 H new ATOM 1345 N LEU A 85 2.947 -9.811 -4.908 1.00 0.00 N ATOM 1346 CA LEU A 85 2.140 -8.867 -5.677 1.00 0.00 C ATOM 1347 C LEU A 85 2.693 -8.698 -7.086 1.00 0.00 C ATOM 1348 O LEU A 85 2.151 -9.245 -8.047 1.00 0.00 O ATOM 1349 CB LEU A 85 2.088 -7.508 -4.982 1.00 0.00 C ATOM 1350 CG LEU A 85 1.507 -7.521 -3.571 1.00 0.00 C ATOM 1351 CD1 LEU A 85 1.579 -6.132 -2.959 1.00 0.00 C ATOM 1352 CD2 LEU A 85 0.071 -8.024 -3.590 1.00 0.00 C ATOM 0 H LEU A 85 3.475 -9.391 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 85 1.130 -9.273 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.098 -7.102 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.497 -6.827 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 85 2.099 -8.201 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.161 -6.156 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.619 -5.808 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.009 -5.434 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.327 -8.027 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.535 -7.370 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.046 -9.037 -3.992 1.00 0.00 H new ATOM 1364 N PHE A 86 3.760 -7.916 -7.201 1.00 0.00 N ATOM 1365 CA PHE A 86 4.311 -7.562 -8.505 1.00 0.00 C ATOM 1366 C PHE A 86 5.384 -8.553 -8.939 1.00 0.00 C ATOM 1367 O PHE A 86 5.251 -9.218 -9.966 1.00 0.00 O ATOM 1368 CB PHE A 86 4.890 -6.142 -8.472 1.00 0.00 C ATOM 1369 CG PHE A 86 3.876 -5.074 -8.156 1.00 0.00 C ATOM 1370 CD1 PHE A 86 2.524 -5.291 -8.376 1.00 0.00 C ATOM 1371 CD2 PHE A 86 4.277 -3.849 -7.642 1.00 0.00 C ATOM 1372 CE1 PHE A 86 1.594 -4.311 -8.089 1.00 0.00 C ATOM 1373 CE2 PHE A 86 3.351 -2.865 -7.352 1.00 0.00 C ATOM 1374 CZ PHE A 86 2.008 -3.099 -7.578 1.00 0.00 C ATOM 0 H PHE A 86 4.261 -7.515 -6.408 1.00 0.00 H new ATOM 0 HA PHE A 86 3.499 -7.600 -9.232 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.687 -6.103 -7.730 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.344 -5.923 -9.439 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.194 -6.238 -8.777 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.326 -3.662 -7.466 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.544 -4.494 -8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.676 -1.917 -6.950 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.282 -2.332 -7.354 1.00 0.00 H new ATOM 1384 N GLY A 87 6.449 -8.647 -8.148 1.00 0.00 N ATOM 1385 CA GLY A 87 7.527 -9.566 -8.464 1.00 0.00 C ATOM 1386 C GLY A 87 8.726 -8.866 -9.067 1.00 0.00 C ATOM 1387 O GLY A 87 9.767 -9.488 -9.286 1.00 0.00 O ATOM 0 H GLY A 87 6.584 -8.104 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.833 -10.088 -7.557 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.164 -10.322 -9.160 1.00 0.00 H new ATOM 1391 N VAL A 88 8.582 -7.568 -9.332 1.00 0.00 N ATOM 1392 CA VAL A 88 9.662 -6.768 -9.882 1.00 0.00 C ATOM 1393 C VAL A 88 10.980 -7.040 -9.168 1.00 0.00 C ATOM 1394 O VAL A 88 10.997 -7.324 -7.970 1.00 0.00 O ATOM 1395 CB VAL A 88 9.358 -5.264 -9.763 1.00 0.00 C ATOM 1396 CG1 VAL A 88 10.018 -4.520 -10.899 1.00 0.00 C ATOM 1397 CG2 VAL A 88 7.864 -4.998 -9.738 1.00 0.00 C ATOM 0 H VAL A 88 7.718 -7.050 -9.171 1.00 0.00 H new ATOM 0 HA VAL A 88 9.748 -7.049 -10.932 1.00 0.00 H new ATOM 0 HB VAL A 88 9.765 -4.905 -8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.801 -3.455 -10.812 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.096 -4.675 -10.858 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.634 -4.892 -11.849 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.687 -3.926 -9.653 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.413 -5.369 -10.658 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.418 -5.508 -8.884 1.00 0.00 H new ATOM 1407 N PRO A 89 12.109 -6.882 -9.879 1.00 0.00 N ATOM 1408 CA PRO A 89 13.411 -6.692 -9.247 1.00 0.00 C ATOM 1409 C PRO A 89 13.350 -5.681 -8.106 1.00 0.00 C ATOM 1410 O PRO A 89 13.878 -5.927 -7.023 1.00 0.00 O ATOM 1411 CB PRO A 89 14.307 -6.170 -10.384 1.00 0.00 C ATOM 1412 CG PRO A 89 13.397 -5.933 -11.548 1.00 0.00 C ATOM 1413 CD PRO A 89 12.209 -6.826 -11.341 1.00 0.00 C ATOM 0 HA PRO A 89 13.781 -7.614 -8.799 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.814 -5.251 -10.091 1.00 0.00 H new ATOM 0 HB3 PRO A 89 15.081 -6.895 -10.635 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.094 -4.887 -11.598 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.899 -6.165 -12.488 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.307 -6.414 -11.795 1.00 0.00 H new ATOM 0 HD3 PRO A 89 12.362 -7.814 -11.776 1.00 0.00 H new ATOM 1421 N SER A 90 12.699 -4.549 -8.356 1.00 0.00 N ATOM 1422 CA SER A 90 12.599 -3.482 -7.364 1.00 0.00 C ATOM 1423 C SER A 90 11.234 -2.796 -7.451 1.00 0.00 C ATOM 1424 O SER A 90 10.589 -2.831 -8.498 1.00 0.00 O ATOM 1425 CB SER A 90 13.702 -2.450 -7.585 1.00 0.00 C ATOM 1426 OG SER A 90 13.567 -1.819 -8.848 1.00 0.00 O ATOM 0 H SER A 90 12.231 -4.346 -9.239 1.00 0.00 H new ATOM 0 HA SER A 90 12.713 -3.924 -6.374 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.666 -1.700 -6.795 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.676 -2.935 -7.520 1.00 0.00 H new ATOM 0 HG SER A 90 14.285 -1.162 -8.964 1.00 0.00 H new ATOM 1432 N PHE A 91 10.822 -2.116 -6.380 1.00 0.00 N ATOM 1433 CA PHE A 91 9.729 -1.156 -6.485 1.00 0.00 C ATOM 1434 C PHE A 91 9.984 0.070 -5.616 1.00 0.00 C ATOM 1435 O PHE A 91 10.538 -0.033 -4.524 1.00 0.00 O ATOM 1436 CB PHE A 91 8.386 -1.801 -6.126 1.00 0.00 C ATOM 1437 CG PHE A 91 8.208 -2.157 -4.673 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.678 -1.240 -3.772 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.541 -3.420 -4.212 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.488 -1.576 -2.449 1.00 0.00 C ATOM 1441 CE2 PHE A 91 8.356 -3.760 -2.884 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.828 -2.838 -2.004 1.00 0.00 C ATOM 0 H PHE A 91 11.222 -2.211 -5.447 1.00 0.00 H new ATOM 0 HA PHE A 91 9.681 -0.830 -7.524 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.586 -1.120 -6.416 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.266 -2.706 -6.722 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.412 -0.251 -4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.950 -4.148 -4.897 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.074 -0.853 -1.761 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.625 -4.747 -2.536 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.681 -3.103 -0.967 1.00 0.00 H new ATOM 1452 N SER A 92 9.588 1.231 -6.124 1.00 0.00 N ATOM 1453 CA SER A 92 9.826 2.489 -5.431 1.00 0.00 C ATOM 1454 C SER A 92 8.618 2.882 -4.593 1.00 0.00 C ATOM 1455 O SER A 92 7.676 3.498 -5.093 1.00 0.00 O ATOM 1456 CB SER A 92 10.149 3.598 -6.436 1.00 0.00 C ATOM 1457 OG SER A 92 9.112 3.740 -7.392 1.00 0.00 O ATOM 0 H SER A 92 9.100 1.326 -7.015 1.00 0.00 H new ATOM 0 HA SER A 92 10.679 2.354 -4.766 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.292 4.541 -5.908 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.087 3.371 -6.943 1.00 0.00 H new ATOM 0 HG SER A 92 8.243 3.642 -6.949 1.00 0.00 H new ATOM 1463 N VAL A 93 8.653 2.524 -3.315 1.00 0.00 N ATOM 1464 CA VAL A 93 7.580 2.878 -2.396 1.00 0.00 C ATOM 1465 C VAL A 93 7.384 4.389 -2.354 1.00 0.00 C ATOM 1466 O VAL A 93 6.269 4.875 -2.162 1.00 0.00 O ATOM 1467 CB VAL A 93 7.868 2.366 -0.972 1.00 0.00 C ATOM 1468 CG1 VAL A 93 8.989 3.165 -0.328 1.00 0.00 C ATOM 1469 CG2 VAL A 93 6.608 2.415 -0.120 1.00 0.00 C ATOM 0 H VAL A 93 9.412 1.989 -2.893 1.00 0.00 H new ATOM 0 HA VAL A 93 6.671 2.402 -2.763 1.00 0.00 H new ATOM 0 HB VAL A 93 8.192 1.327 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.175 2.786 0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 93 9.895 3.068 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.702 4.215 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.832 2.049 0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.249 3.443 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.839 1.788 -0.571 1.00 0.00 H new ATOM 1479 N LYS A 94 8.476 5.126 -2.545 1.00 0.00 N ATOM 1480 CA LYS A 94 8.428 6.584 -2.566 1.00 0.00 C ATOM 1481 C LYS A 94 7.361 7.074 -3.540 1.00 0.00 C ATOM 1482 O LYS A 94 6.751 8.122 -3.333 1.00 0.00 O ATOM 1483 CB LYS A 94 9.794 7.150 -2.957 1.00 0.00 C ATOM 1484 CG LYS A 94 9.862 8.669 -2.906 1.00 0.00 C ATOM 1485 CD LYS A 94 11.220 9.186 -3.357 1.00 0.00 C ATOM 1486 CE LYS A 94 12.327 8.765 -2.402 1.00 0.00 C ATOM 1487 NZ LYS A 94 13.657 9.273 -2.837 1.00 0.00 N ATOM 0 H LYS A 94 9.407 4.735 -2.688 1.00 0.00 H new ATOM 0 HA LYS A 94 8.171 6.934 -1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.552 6.738 -2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.041 6.817 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.083 9.090 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.662 9.008 -1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.439 8.810 -4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.191 10.274 -3.424 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.105 9.138 -1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.357 7.677 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.384 8.965 -2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.880 8.897 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.637 10.312 -2.874 1.00 0.00 H new ATOM 1501 N GLU A 95 7.133 6.293 -4.590 1.00 0.00 N ATOM 1502 CA GLU A 95 6.064 6.576 -5.537 1.00 0.00 C ATOM 1503 C GLU A 95 4.758 5.931 -5.083 1.00 0.00 C ATOM 1504 O GLU A 95 4.177 5.116 -5.797 1.00 0.00 O ATOM 1505 CB GLU A 95 6.443 6.065 -6.929 1.00 0.00 C ATOM 1506 CG GLU A 95 7.735 6.658 -7.467 1.00 0.00 C ATOM 1507 CD GLU A 95 7.671 8.165 -7.611 1.00 0.00 C ATOM 1508 OE1 GLU A 95 8.016 8.871 -6.640 1.00 0.00 O ATOM 1509 OE2 GLU A 95 7.274 8.642 -8.696 1.00 0.00 O ATOM 0 H GLU A 95 7.676 5.457 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 95 5.921 7.656 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.539 4.980 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.633 6.292 -7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.556 6.395 -6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.958 6.214 -8.437 1.00 0.00 H new ATOM 1516 N HIS A 96 4.309 6.291 -3.882 1.00 0.00 N ATOM 1517 CA HIS A 96 3.114 5.687 -3.298 1.00 0.00 C ATOM 1518 C HIS A 96 1.915 5.832 -4.226 1.00 0.00 C ATOM 1519 O HIS A 96 1.029 4.977 -4.246 1.00 0.00 O ATOM 1520 CB HIS A 96 2.800 6.324 -1.944 1.00 0.00 C ATOM 1521 CG HIS A 96 3.886 6.159 -0.927 1.00 0.00 C ATOM 1522 ND1 HIS A 96 4.884 7.092 -0.732 1.00 0.00 N ATOM 1523 CD2 HIS A 96 4.125 5.165 -0.039 1.00 0.00 C ATOM 1524 CE1 HIS A 96 5.689 6.678 0.229 1.00 0.00 C ATOM 1525 NE2 HIS A 96 5.250 5.512 0.667 1.00 0.00 N ATOM 0 H HIS A 96 4.754 6.997 -3.295 1.00 0.00 H new ATOM 0 HA HIS A 96 3.314 4.625 -3.156 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.611 7.388 -2.089 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.881 5.888 -1.553 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.540 4.267 0.090 1.00 0.00 H new ATOM 0 HE1 HIS A 96 6.559 7.204 0.595 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.678 4.959 1.410 1.00 0.00 H new ATOM 1534 N ARG A 97 1.892 6.916 -4.992 1.00 0.00 N ATOM 1535 CA ARG A 97 0.806 7.160 -5.929 1.00 0.00 C ATOM 1536 C ARG A 97 0.651 5.987 -6.892 1.00 0.00 C ATOM 1537 O ARG A 97 -0.379 5.314 -6.909 1.00 0.00 O ATOM 1538 CB ARG A 97 1.055 8.449 -6.714 1.00 0.00 C ATOM 1539 CG ARG A 97 -0.037 8.770 -7.722 1.00 0.00 C ATOM 1540 CD ARG A 97 0.298 10.011 -8.532 1.00 0.00 C ATOM 1541 NE ARG A 97 -0.755 10.344 -9.487 1.00 0.00 N ATOM 1542 CZ ARG A 97 -0.790 11.475 -10.184 1.00 0.00 C ATOM 1543 NH1 ARG A 97 0.166 12.381 -10.030 1.00 0.00 N ATOM 1544 NH2 ARG A 97 -1.780 11.702 -11.034 1.00 0.00 N ATOM 0 H ARG A 97 2.612 7.638 -4.982 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.116 7.267 -5.358 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.146 9.279 -6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.008 8.367 -7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.174 7.922 -8.393 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.982 8.919 -7.200 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.454 10.853 -7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.235 9.853 -9.066 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.507 9.670 -9.627 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.930 12.210 -9.376 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.138 13.248 -10.566 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.518 11.008 -11.155 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.805 12.571 -11.568 1.00 0.00 H new ATOM 1558 N LYS A 98 1.683 5.751 -7.698 1.00 0.00 N ATOM 1559 CA LYS A 98 1.637 4.707 -8.716 1.00 0.00 C ATOM 1560 C LYS A 98 1.745 3.321 -8.092 1.00 0.00 C ATOM 1561 O LYS A 98 1.016 2.404 -8.466 1.00 0.00 O ATOM 1562 CB LYS A 98 2.762 4.911 -9.735 1.00 0.00 C ATOM 1563 CG LYS A 98 2.786 3.866 -10.840 1.00 0.00 C ATOM 1564 CD LYS A 98 1.529 3.926 -11.694 1.00 0.00 C ATOM 1565 CE LYS A 98 1.552 2.875 -12.792 1.00 0.00 C ATOM 1566 NZ LYS A 98 2.723 3.042 -13.698 1.00 0.00 N ATOM 0 H LYS A 98 2.561 6.269 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 98 0.675 4.777 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.658 5.899 -10.184 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.719 4.897 -9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.662 4.021 -11.470 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.881 2.873 -10.401 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.652 3.777 -11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.437 4.917 -12.139 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.579 1.882 -12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.632 2.937 -13.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.582 2.472 -14.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.819 4.044 -13.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.586 2.727 -13.211 1.00 0.00 H new ATOM 1580 N ILE A 99 2.670 3.177 -7.151 1.00 0.00 N ATOM 1581 CA ILE A 99 2.955 1.881 -6.540 1.00 0.00 C ATOM 1582 C ILE A 99 1.681 1.244 -5.990 1.00 0.00 C ATOM 1583 O ILE A 99 1.516 0.025 -6.027 1.00 0.00 O ATOM 1584 CB ILE A 99 4.031 2.010 -5.428 1.00 0.00 C ATOM 1585 CG1 ILE A 99 5.014 0.836 -5.500 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.406 2.096 -4.043 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.439 -0.479 -5.013 1.00 0.00 C ATOM 0 H ILE A 99 3.239 3.944 -6.792 1.00 0.00 H new ATOM 0 HA ILE A 99 3.352 1.228 -7.317 1.00 0.00 H new ATOM 0 HB ILE A 99 4.573 2.940 -5.600 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.346 0.716 -6.531 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.896 1.077 -4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.193 2.185 -3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.755 2.969 -3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.822 1.196 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.195 -1.260 -5.096 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.133 -0.379 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.575 -0.746 -5.621 1.00 0.00 H new ATOM 1599 N TYR A 100 0.764 2.081 -5.511 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.517 1.596 -5.015 1.00 0.00 C ATOM 1601 C TYR A 100 -1.558 1.537 -6.127 1.00 0.00 C ATOM 1602 O TYR A 100 -2.480 0.725 -6.079 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.010 2.482 -3.871 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.386 2.125 -2.542 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.697 1.259 -2.479 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.882 2.643 -1.353 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.268 0.918 -1.274 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.315 2.306 -0.140 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.760 1.443 -0.104 1.00 0.00 C ATOM 1610 OH TYR A 100 1.328 1.105 1.103 1.00 0.00 O ATOM 0 H TYR A 100 0.885 3.092 -5.457 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.371 0.582 -4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.788 3.524 -4.103 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.094 2.397 -3.793 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.099 0.845 -3.392 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.724 3.319 -1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.110 0.242 -1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.712 2.717 0.777 1.00 0.00 H new ATOM 0 HH TYR A 100 0.934 1.651 1.815 1.00 0.00 H new ATOM 1620 N THR A 101 -1.400 2.390 -7.132 1.00 0.00 N ATOM 1621 CA THR A 101 -2.298 2.379 -8.281 1.00 0.00 C ATOM 1622 C THR A 101 -2.184 1.066 -9.050 1.00 0.00 C ATOM 1623 O THR A 101 -3.135 0.636 -9.707 1.00 0.00 O ATOM 1624 CB THR A 101 -2.010 3.557 -9.236 1.00 0.00 C ATOM 1625 OG1 THR A 101 -2.246 4.799 -8.563 1.00 0.00 O ATOM 1626 CG2 THR A 101 -2.885 3.479 -10.479 1.00 0.00 C ATOM 0 H THR A 101 -0.663 3.094 -7.175 1.00 0.00 H new ATOM 0 HA THR A 101 -3.312 2.483 -7.894 1.00 0.00 H new ATOM 0 HB THR A 101 -0.966 3.497 -9.543 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.402 5.141 -8.201 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.662 4.321 -11.135 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.686 2.546 -11.006 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.935 3.515 -10.188 1.00 0.00 H new ATOM 1634 N MET A 102 -1.023 0.426 -8.960 1.00 0.00 N ATOM 1635 CA MET A 102 -0.811 -0.854 -9.625 1.00 0.00 C ATOM 1636 C MET A 102 -0.993 -2.020 -8.656 1.00 0.00 C ATOM 1637 O MET A 102 -1.296 -3.138 -9.075 1.00 0.00 O ATOM 1638 CB MET A 102 0.577 -0.907 -10.273 1.00 0.00 C ATOM 1639 CG MET A 102 1.695 -0.392 -9.386 1.00 0.00 C ATOM 1640 SD MET A 102 3.330 -0.714 -10.079 1.00 0.00 S ATOM 1641 CE MET A 102 4.383 -0.056 -8.790 1.00 0.00 C ATOM 0 H MET A 102 -0.219 0.770 -8.436 1.00 0.00 H new ATOM 0 HA MET A 102 -1.563 -0.948 -10.409 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.796 -1.937 -10.554 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.559 -0.323 -11.193 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.572 0.681 -9.237 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.621 -0.860 -8.405 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.372 -0.508 -8.862 1.00 0.00 H new ATOM 0 HE2 MET A 102 4.468 1.024 -8.906 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.951 -0.283 -7.816 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.857 -1.753 -7.357 1.00 0.00 N ATOM 1652 CA ILE A 103 -1.295 -2.710 -6.343 1.00 0.00 C ATOM 1653 C ILE A 103 -2.808 -2.914 -6.403 1.00 0.00 C ATOM 1654 O ILE A 103 -3.301 -4.027 -6.218 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.898 -2.266 -4.916 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.605 -2.458 -4.699 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.689 -3.045 -3.872 1.00 0.00 C ATOM 1658 CD1 ILE A 103 1.081 -2.056 -3.320 1.00 0.00 C ATOM 0 H ILE A 103 -0.452 -0.893 -6.986 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.790 -3.651 -6.564 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.134 -1.208 -4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.856 -3.505 -4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.147 -1.876 -5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.395 -2.718 -2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.755 -2.865 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.484 -4.110 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.156 -2.221 -3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.863 -1.001 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.567 -2.656 -2.569 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.541 -1.831 -6.646 1.00 0.00 N ATOM 1671 CA TYR A 104 -5.000 -1.873 -6.603 1.00 0.00 C ATOM 1672 C TYR A 104 -5.599 -1.703 -7.996 1.00 0.00 C ATOM 1673 O TYR A 104 -4.929 -1.242 -8.919 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.533 -0.784 -5.671 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.079 -0.937 -4.236 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -5.693 -1.850 -3.388 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -4.039 -0.169 -3.731 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -5.282 -1.992 -2.077 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -3.622 -0.305 -2.422 1.00 0.00 C ATOM 1680 CZ TYR A 104 -4.248 -1.218 -1.599 1.00 0.00 C ATOM 1681 OH TYR A 104 -3.835 -1.357 -0.294 1.00 0.00 O ATOM 0 H TYR A 104 -3.151 -0.917 -6.874 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.296 -2.850 -6.221 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.212 0.189 -6.043 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.623 -0.793 -5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.504 -2.458 -3.760 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -3.548 0.547 -4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -5.769 -2.706 -1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.811 0.300 -2.045 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.160 -2.210 0.063 1.00 0.00 H new