USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 HIS : no HD1:sc= -0.499 X(o=-3.5,f=-3.8) USER MOD Set 1.2: A 100 TYR OH : rot 15:sc= -3.04! USER MOD Single : A 26 THR OG1 : rot 32:sc= 0.132 USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= -0.0217 (180deg=-0.261) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= -0.0284 (180deg=-0.217) USER MOD Single : A 39 LYS NZ :NH3+ -124:sc= 1.14 (180deg=-1.37) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0477 X(o=-0.048,f=0.33) USER MOD Single : A 45 LYS NZ :NH3+ -121:sc= -0.538 (180deg=-1.76!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 120:sc= -2.85! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 50 MET CE :methyl -118:sc= -3.14 (180deg=-5.96!) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0603 (180deg=-0.304) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.291 K(o=-0.29,f=-0.95) USER MOD Single : A 60 TYR OH : rot 30:sc= -2.22! USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 4:sc= 1.02 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.921 K(o=-0.92,f=-5.5!) USER MOD Single : A 72 GLN : amide:sc= -1.97 K(o=-2,f=-4.2!) USER MOD Single : A 73 HIS : no HD1:sc= -8.51! C(o=-8.5!,f=-4.1!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 37:sc= -2.27! USER MOD Single : A 78 SER OG : rot 33:sc= 0.401 USER MOD Single : A 79 ASN : amide:sc= -0.405 K(o=-0.41,f=-3.3!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 33:sc= 0.108 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -166:sc= -0.0351 (180deg=-0.259) USER MOD Single : A 101 THR OG1 : rot 9:sc= -1.42! USER MOD Single : A 102 MET CE :methyl -114:sc= -6.59! (180deg=-13.5!) USER MOD Single : A 104 TYR OH : rot 159:sc= -1.15! USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -10.629 2.845 -1.217 1.00 0.00 N ATOM 348 CA THR A 26 -11.025 1.478 -1.533 1.00 0.00 C ATOM 349 C THR A 26 -10.889 0.595 -0.310 1.00 0.00 C ATOM 350 O THR A 26 -9.781 0.358 0.172 1.00 0.00 O ATOM 351 CB THR A 26 -10.185 0.879 -2.678 1.00 0.00 C ATOM 352 OG1 THR A 26 -10.181 1.768 -3.801 1.00 0.00 O ATOM 353 CG2 THR A 26 -10.732 -0.477 -3.101 1.00 0.00 C ATOM 0 HA THR A 26 -12.065 1.517 -1.856 1.00 0.00 H new ATOM 0 HB THR A 26 -9.165 0.745 -2.317 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.235 2.694 -3.485 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.122 -0.879 -3.910 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.706 -1.161 -2.253 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.761 -0.364 -3.444 1.00 0.00 H new ATOM 361 N LEU A 27 -12.014 0.105 0.193 1.00 0.00 N ATOM 362 CA LEU A 27 -11.985 -0.793 1.323 1.00 0.00 C ATOM 363 C LEU A 27 -11.451 -2.138 0.882 1.00 0.00 C ATOM 364 O LEU A 27 -12.209 -3.069 0.615 1.00 0.00 O ATOM 365 CB LEU A 27 -13.372 -0.945 1.948 1.00 0.00 C ATOM 366 CG LEU A 27 -13.357 -1.025 3.472 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.257 -1.966 3.929 1.00 0.00 C ATOM 368 CD2 LEU A 27 -13.149 0.357 4.068 1.00 0.00 C ATOM 0 H LEU A 27 -12.946 0.316 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.328 -0.374 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.991 -0.101 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.842 -1.845 1.551 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.317 -1.411 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.252 -2.018 5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.435 -2.960 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.293 -1.596 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.140 0.287 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.198 0.763 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.959 1.015 3.754 1.00 0.00 H new ATOM 380 N VAL A 28 -10.138 -2.202 0.737 1.00 0.00 N ATOM 381 CA VAL A 28 -9.508 -3.264 -0.016 1.00 0.00 C ATOM 382 C VAL A 28 -9.665 -4.590 0.680 1.00 0.00 C ATOM 383 O VAL A 28 -9.543 -4.683 1.901 1.00 0.00 O ATOM 384 CB VAL A 28 -8.022 -2.975 -0.235 1.00 0.00 C ATOM 385 CG1 VAL A 28 -7.285 -4.213 -0.715 1.00 0.00 C ATOM 386 CG2 VAL A 28 -7.880 -1.848 -1.224 1.00 0.00 C ATOM 0 H VAL A 28 -9.488 -1.525 1.135 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.006 -3.313 -0.984 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.574 -2.682 0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.231 -3.975 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.379 -5.004 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.715 -4.550 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.823 -1.636 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.341 -2.133 -2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.373 -0.957 -0.834 1.00 0.00 H new ATOM 396 N ARG A 29 -9.961 -5.613 -0.097 1.00 0.00 N ATOM 397 CA ARG A 29 -10.266 -6.897 0.478 1.00 0.00 C ATOM 398 C ARG A 29 -9.562 -8.030 -0.266 1.00 0.00 C ATOM 399 O ARG A 29 -10.196 -8.785 -1.005 1.00 0.00 O ATOM 400 CB ARG A 29 -11.779 -7.129 0.498 1.00 0.00 C ATOM 401 CG ARG A 29 -12.572 -5.954 1.051 1.00 0.00 C ATOM 402 CD ARG A 29 -14.060 -6.259 1.093 1.00 0.00 C ATOM 403 NE ARG A 29 -14.585 -6.599 -0.227 1.00 0.00 N ATOM 404 CZ ARG A 29 -15.732 -7.242 -0.422 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.474 -7.612 0.614 1.00 0.00 N ATOM 406 NH2 ARG A 29 -16.139 -7.514 -1.655 1.00 0.00 N ATOM 0 H ARG A 29 -9.995 -5.577 -1.116 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.896 -6.895 1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.119 -7.340 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.994 -8.014 1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.220 -5.716 2.055 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.397 -5.073 0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.242 -7.086 1.780 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.597 -5.395 1.485 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.041 -6.328 -1.046 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.165 -7.403 1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.354 -8.105 0.461 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -15.572 -7.230 -2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.019 -8.007 -1.804 1.00 0.00 H new ATOM 420 N PRO A 30 -8.245 -8.180 -0.052 1.00 0.00 N ATOM 421 CA PRO A 30 -7.481 -9.312 -0.543 1.00 0.00 C ATOM 422 C PRO A 30 -7.401 -10.431 0.489 1.00 0.00 C ATOM 423 O PRO A 30 -8.104 -10.402 1.500 1.00 0.00 O ATOM 424 CB PRO A 30 -6.098 -8.702 -0.788 1.00 0.00 C ATOM 425 CG PRO A 30 -6.031 -7.464 0.064 1.00 0.00 C ATOM 426 CD PRO A 30 -7.386 -7.271 0.705 1.00 0.00 C ATOM 0 HA PRO A 30 -7.924 -9.771 -1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.309 -9.404 -0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.961 -8.458 -1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.259 -7.566 0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.768 -6.597 -0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.369 -7.522 1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.725 -6.238 0.627 1.00 0.00 H new ATOM 434 N LYS A 31 -6.537 -11.408 0.240 1.00 0.00 N ATOM 435 CA LYS A 31 -6.327 -12.495 1.190 1.00 0.00 C ATOM 436 C LYS A 31 -4.848 -12.881 1.279 1.00 0.00 C ATOM 437 O LYS A 31 -4.263 -12.839 2.361 1.00 0.00 O ATOM 438 CB LYS A 31 -7.176 -13.715 0.815 1.00 0.00 C ATOM 439 CG LYS A 31 -8.671 -13.438 0.809 1.00 0.00 C ATOM 440 CD LYS A 31 -9.466 -14.670 0.410 1.00 0.00 C ATOM 441 CE LYS A 31 -10.960 -14.392 0.404 1.00 0.00 C ATOM 442 NZ LYS A 31 -11.322 -13.316 -0.562 1.00 0.00 N ATOM 0 H LYS A 31 -5.973 -11.470 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.641 -12.140 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.876 -14.066 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.967 -14.522 1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.984 -13.107 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.888 -12.624 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.153 -15.001 -0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.249 -15.484 1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.498 -15.305 0.149 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.279 -14.103 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.353 -13.306 -0.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.014 -12.396 -0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.853 -13.495 -1.473 1.00 0.00 H new ATOM 456 N PRO A 32 -4.220 -13.279 0.153 1.00 0.00 N ATOM 457 CA PRO A 32 -2.852 -13.778 0.154 1.00 0.00 C ATOM 458 C PRO A 32 -1.814 -12.699 -0.154 1.00 0.00 C ATOM 459 O PRO A 32 -0.654 -12.816 0.244 1.00 0.00 O ATOM 460 CB PRO A 32 -2.895 -14.808 -0.968 1.00 0.00 C ATOM 461 CG PRO A 32 -3.866 -14.248 -1.961 1.00 0.00 C ATOM 462 CD PRO A 32 -4.791 -13.317 -1.206 1.00 0.00 C ATOM 0 HA PRO A 32 -2.552 -14.165 1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.910 -14.950 -1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.221 -15.781 -0.600 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.341 -13.711 -2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.431 -15.048 -2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.816 -12.325 -1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.815 -13.690 -1.199 1.00 0.00 H new ATOM 470 N LEU A 33 -2.214 -11.687 -0.919 1.00 0.00 N ATOM 471 CA LEU A 33 -1.252 -10.826 -1.598 1.00 0.00 C ATOM 472 C LEU A 33 -1.270 -9.401 -1.048 1.00 0.00 C ATOM 473 O LEU A 33 -1.207 -8.435 -1.811 1.00 0.00 O ATOM 474 CB LEU A 33 -1.535 -10.806 -3.102 1.00 0.00 C ATOM 475 CG LEU A 33 -1.559 -12.180 -3.779 1.00 0.00 C ATOM 476 CD1 LEU A 33 -1.911 -12.042 -5.253 1.00 0.00 C ATOM 477 CD2 LEU A 33 -0.219 -12.882 -3.614 1.00 0.00 C ATOM 0 H LEU A 33 -3.191 -11.444 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.260 -11.238 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.496 -10.320 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.778 -10.191 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.326 -12.787 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.923 -13.028 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.894 -11.582 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.168 -11.417 -5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.256 -13.856 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.566 -12.278 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.006 -13.015 -2.553 1.00 0.00 H new ATOM 489 N LEU A 34 -1.315 -9.275 0.275 1.00 0.00 N ATOM 490 CA LEU A 34 -1.135 -7.997 0.937 1.00 0.00 C ATOM 491 C LEU A 34 -1.217 -8.181 2.446 1.00 0.00 C ATOM 492 O LEU A 34 -1.146 -7.221 3.213 1.00 0.00 O ATOM 493 CB LEU A 34 -2.199 -7.009 0.468 1.00 0.00 C ATOM 494 CG LEU A 34 -2.074 -5.599 1.044 1.00 0.00 C ATOM 495 CD1 LEU A 34 -0.608 -5.205 1.146 1.00 0.00 C ATOM 496 CD2 LEU A 34 -2.841 -4.610 0.184 1.00 0.00 C ATOM 0 H LEU A 34 -1.477 -10.055 0.912 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.153 -7.599 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.159 -6.945 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.180 -7.405 0.728 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.504 -5.585 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.529 -4.199 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.088 -5.906 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.155 -5.228 0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.744 -3.609 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.437 -4.618 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.894 -4.891 0.157 1.00 0.00 H new ATOM 508 N LEU A 35 -1.419 -9.424 2.858 1.00 0.00 N ATOM 509 CA LEU A 35 -1.850 -9.713 4.214 1.00 0.00 C ATOM 510 C LEU A 35 -1.015 -10.834 4.817 1.00 0.00 C ATOM 511 O LEU A 35 -1.008 -11.033 6.031 1.00 0.00 O ATOM 512 CB LEU A 35 -3.331 -10.075 4.213 1.00 0.00 C ATOM 513 CG LEU A 35 -4.180 -9.185 3.304 1.00 0.00 C ATOM 514 CD1 LEU A 35 -4.222 -9.762 1.899 1.00 0.00 C ATOM 515 CD2 LEU A 35 -5.583 -9.020 3.861 1.00 0.00 C ATOM 0 H LEU A 35 -1.291 -10.248 2.271 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.706 -8.826 4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.442 -11.112 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.713 -10.009 5.232 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.721 -8.197 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.829 -9.121 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.210 -9.819 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.657 -10.761 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.166 -8.383 3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.061 -9.997 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.531 -8.562 4.849 1.00 0.00 H new ATOM 527 N LYS A 36 -0.252 -11.509 3.964 1.00 0.00 N ATOM 528 CA LYS A 36 0.906 -12.264 4.417 1.00 0.00 C ATOM 529 C LYS A 36 2.054 -11.315 4.735 1.00 0.00 C ATOM 530 O LYS A 36 3.079 -11.721 5.284 1.00 0.00 O ATOM 531 CB LYS A 36 1.334 -13.280 3.352 1.00 0.00 C ATOM 532 CG LYS A 36 0.507 -14.556 3.356 1.00 0.00 C ATOM 533 CD LYS A 36 -0.949 -14.286 3.013 1.00 0.00 C ATOM 534 CE LYS A 36 -1.778 -15.559 3.054 1.00 0.00 C ATOM 535 NZ LYS A 36 -1.285 -16.573 2.082 1.00 0.00 N ATOM 0 H LYS A 36 -0.416 -11.548 2.958 1.00 0.00 H new ATOM 0 HA LYS A 36 0.637 -12.808 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.262 -12.814 2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.382 -13.536 3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.925 -15.262 2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.568 -15.026 4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.360 -13.560 3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.013 -13.841 2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.752 -15.977 4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.819 -15.322 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.985 -17.337 1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.141 -16.124 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.384 -16.968 2.419 1.00 0.00 H new ATOM 549 N LEU A 37 1.849 -10.037 4.426 1.00 0.00 N ATOM 550 CA LEU A 37 2.723 -8.979 4.917 1.00 0.00 C ATOM 551 C LEU A 37 2.146 -8.370 6.179 1.00 0.00 C ATOM 552 O LEU A 37 2.719 -8.473 7.260 1.00 0.00 O ATOM 553 CB LEU A 37 2.877 -7.862 3.889 1.00 0.00 C ATOM 554 CG LEU A 37 2.503 -8.211 2.457 1.00 0.00 C ATOM 555 CD1 LEU A 37 2.169 -6.935 1.717 1.00 0.00 C ATOM 556 CD2 LEU A 37 3.633 -8.951 1.763 1.00 0.00 C ATOM 0 H LEU A 37 1.083 -9.710 3.837 1.00 0.00 H new ATOM 0 HA LEU A 37 3.696 -9.430 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.265 -7.017 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.914 -7.527 3.900 1.00 0.00 H new ATOM 0 HG LEU A 37 1.636 -8.871 2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.899 -7.171 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.331 -6.439 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.036 -6.274 1.722 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.339 -9.188 0.741 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.524 -8.323 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.849 -9.874 2.302 1.00 0.00 H new ATOM 568 N LEU A 38 1.024 -7.688 6.000 1.00 0.00 N ATOM 569 CA LEU A 38 0.493 -6.793 7.009 1.00 0.00 C ATOM 570 C LEU A 38 0.209 -7.531 8.307 1.00 0.00 C ATOM 571 O LEU A 38 0.739 -7.172 9.355 1.00 0.00 O ATOM 572 CB LEU A 38 -0.766 -6.113 6.479 1.00 0.00 C ATOM 573 CG LEU A 38 -0.533 -4.734 5.858 1.00 0.00 C ATOM 574 CD1 LEU A 38 0.590 -4.787 4.833 1.00 0.00 C ATOM 575 CD2 LEU A 38 -1.809 -4.222 5.217 1.00 0.00 C ATOM 0 H LEU A 38 0.460 -7.742 5.152 1.00 0.00 H new ATOM 0 HA LEU A 38 1.241 -6.031 7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.225 -6.760 5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.480 -6.013 7.296 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.240 -4.046 6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.738 -3.796 4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.510 -5.114 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.327 -5.489 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.628 -3.240 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.127 -4.914 4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.590 -4.144 5.973 1.00 0.00 H new ATOM 587 N LYS A 39 -0.608 -8.576 8.234 1.00 0.00 N ATOM 588 CA LYS A 39 -0.882 -9.407 9.400 1.00 0.00 C ATOM 589 C LYS A 39 0.417 -9.843 10.070 1.00 0.00 C ATOM 590 O LYS A 39 0.441 -10.148 11.263 1.00 0.00 O ATOM 591 CB LYS A 39 -1.693 -10.640 8.998 1.00 0.00 C ATOM 592 CG LYS A 39 -3.013 -10.313 8.322 1.00 0.00 C ATOM 593 CD LYS A 39 -3.723 -11.574 7.859 1.00 0.00 C ATOM 594 CE LYS A 39 -5.036 -11.258 7.165 1.00 0.00 C ATOM 595 NZ LYS A 39 -6.009 -10.610 8.085 1.00 0.00 N ATOM 0 H LYS A 39 -1.090 -8.867 7.383 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.461 -8.814 10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.094 -11.254 8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.890 -11.239 9.887 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.653 -9.766 9.014 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.835 -9.659 7.468 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.076 -12.127 7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.911 -12.221 8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.848 -10.602 6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.468 -12.177 6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.890 -11.163 8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.606 -10.568 9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.212 -9.646 7.752 1.00 0.00 H new ATOM 609 N SER A 40 1.496 -9.873 9.293 1.00 0.00 N ATOM 610 CA SER A 40 2.796 -10.295 9.803 1.00 0.00 C ATOM 611 C SER A 40 3.551 -9.130 10.442 1.00 0.00 C ATOM 612 O SER A 40 4.261 -9.313 11.432 1.00 0.00 O ATOM 613 CB SER A 40 3.636 -10.907 8.681 1.00 0.00 C ATOM 614 OG SER A 40 4.907 -11.313 9.157 1.00 0.00 O ATOM 0 H SER A 40 1.495 -9.610 8.308 1.00 0.00 H new ATOM 0 HA SER A 40 2.620 -11.048 10.572 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.113 -11.764 8.257 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.760 -10.180 7.878 1.00 0.00 H new ATOM 0 HG SER A 40 5.423 -11.702 8.420 1.00 0.00 H new ATOM 620 N VAL A 41 3.411 -7.935 9.868 1.00 0.00 N ATOM 621 CA VAL A 41 4.149 -6.773 10.351 1.00 0.00 C ATOM 622 C VAL A 41 3.420 -6.092 11.513 1.00 0.00 C ATOM 623 O VAL A 41 4.024 -5.338 12.279 1.00 0.00 O ATOM 624 CB VAL A 41 4.435 -5.753 9.213 1.00 0.00 C ATOM 625 CG1 VAL A 41 3.295 -5.695 8.206 1.00 0.00 C ATOM 626 CG2 VAL A 41 4.713 -4.368 9.775 1.00 0.00 C ATOM 0 H VAL A 41 2.798 -7.749 9.074 1.00 0.00 H new ATOM 0 HA VAL A 41 5.108 -7.139 10.717 1.00 0.00 H new ATOM 0 HB VAL A 41 5.326 -6.101 8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.534 -4.971 7.427 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.156 -6.678 7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.378 -5.394 8.712 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.910 -3.676 8.956 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.847 -4.024 10.341 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.582 -4.409 10.432 1.00 0.00 H new ATOM 636 N GLY A 42 2.133 -6.389 11.671 1.00 0.00 N ATOM 637 CA GLY A 42 1.398 -5.886 12.821 1.00 0.00 C ATOM 638 C GLY A 42 -0.106 -6.020 12.677 1.00 0.00 C ATOM 639 O GLY A 42 -0.833 -6.021 13.669 1.00 0.00 O ATOM 0 H GLY A 42 1.588 -6.965 11.029 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.720 -6.424 13.713 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.649 -4.836 12.973 1.00 0.00 H new ATOM 643 N ALA A 43 -0.572 -6.108 11.438 1.00 0.00 N ATOM 644 CA ALA A 43 -2.001 -6.088 11.152 1.00 0.00 C ATOM 645 C ALA A 43 -2.673 -7.388 11.584 1.00 0.00 C ATOM 646 O ALA A 43 -2.022 -8.287 12.116 1.00 0.00 O ATOM 647 CB ALA A 43 -2.229 -5.838 9.671 1.00 0.00 C ATOM 0 H ALA A 43 0.021 -6.194 10.612 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.452 -5.278 11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.299 -5.824 9.465 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.794 -4.878 9.393 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.758 -6.632 9.091 1.00 0.00 H new ATOM 653 N GLN A 44 -3.982 -7.477 11.355 1.00 0.00 N ATOM 654 CA GLN A 44 -4.752 -8.643 11.776 1.00 0.00 C ATOM 655 C GLN A 44 -6.138 -8.656 11.129 1.00 0.00 C ATOM 656 O GLN A 44 -6.747 -9.714 10.970 1.00 0.00 O ATOM 657 CB GLN A 44 -4.889 -8.664 13.300 1.00 0.00 C ATOM 658 CG GLN A 44 -5.647 -9.871 13.830 1.00 0.00 C ATOM 659 CD GLN A 44 -4.966 -11.183 13.495 1.00 0.00 C ATOM 660 OE1 GLN A 44 -5.230 -11.783 12.451 1.00 0.00 O ATOM 661 NE2 GLN A 44 -4.085 -11.637 14.379 1.00 0.00 N ATOM 0 H GLN A 44 -4.529 -6.758 10.882 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.215 -9.534 11.450 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.894 -8.647 13.745 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.399 -7.756 13.623 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.748 -9.785 14.912 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.655 -9.873 13.415 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.897 -11.107 15.230 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.596 -12.515 14.207 1.00 0.00 H new ATOM 670 N LYS A 45 -6.635 -7.474 10.771 1.00 0.00 N ATOM 671 CA LYS A 45 -7.983 -7.345 10.224 1.00 0.00 C ATOM 672 C LYS A 45 -8.136 -8.164 8.947 1.00 0.00 C ATOM 673 O LYS A 45 -7.224 -8.221 8.122 1.00 0.00 O ATOM 674 CB LYS A 45 -8.308 -5.878 9.937 1.00 0.00 C ATOM 675 CG LYS A 45 -7.974 -4.943 11.089 1.00 0.00 C ATOM 676 CD LYS A 45 -8.320 -3.500 10.757 1.00 0.00 C ATOM 677 CE LYS A 45 -7.461 -2.960 9.624 1.00 0.00 C ATOM 678 NZ LYS A 45 -6.011 -2.995 9.962 1.00 0.00 N ATOM 0 H LYS A 45 -6.126 -6.594 10.850 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.681 -7.727 10.969 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.759 -5.560 9.051 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.369 -5.789 9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.520 -5.253 11.980 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.912 -5.018 11.324 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.372 -3.433 10.479 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.184 -2.880 11.643 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.638 -3.547 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.757 -1.935 9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.620 -2.032 9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.888 -3.372 10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.511 -3.605 9.284 1.00 0.00 H new ATOM 692 N ASP A 46 -9.298 -8.790 8.790 1.00 0.00 N ATOM 693 CA ASP A 46 -9.576 -9.606 7.613 1.00 0.00 C ATOM 694 C ASP A 46 -9.631 -8.748 6.354 1.00 0.00 C ATOM 695 O ASP A 46 -9.541 -9.260 5.238 1.00 0.00 O ATOM 696 CB ASP A 46 -10.896 -10.358 7.791 1.00 0.00 C ATOM 697 CG ASP A 46 -10.879 -11.281 8.993 1.00 0.00 C ATOM 698 OD1 ASP A 46 -11.237 -10.823 10.099 1.00 0.00 O ATOM 699 OD2 ASP A 46 -10.504 -12.461 8.831 1.00 0.00 O ATOM 0 H ASP A 46 -10.063 -8.748 9.463 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.766 -10.327 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.708 -9.639 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.103 -10.940 6.893 1.00 0.00 H new ATOM 704 N THR A 47 -9.768 -7.439 6.543 1.00 0.00 N ATOM 705 CA THR A 47 -9.745 -6.500 5.427 1.00 0.00 C ATOM 706 C THR A 47 -8.853 -5.313 5.731 1.00 0.00 C ATOM 707 O THR A 47 -8.322 -5.182 6.834 1.00 0.00 O ATOM 708 CB THR A 47 -11.152 -5.971 5.092 1.00 0.00 C ATOM 709 OG1 THR A 47 -11.737 -5.364 6.251 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.053 -7.084 4.592 1.00 0.00 C ATOM 0 H THR A 47 -9.896 -7.005 7.457 1.00 0.00 H new ATOM 0 HA THR A 47 -9.355 -7.052 4.572 1.00 0.00 H new ATOM 0 HB THR A 47 -11.051 -5.228 4.301 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.631 -5.029 6.029 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.039 -6.679 4.364 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.624 -7.523 3.691 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.145 -7.851 5.361 1.00 0.00 H new ATOM 718 N TYR A 48 -8.686 -4.452 4.737 1.00 0.00 N ATOM 719 CA TYR A 48 -7.799 -3.311 4.861 1.00 0.00 C ATOM 720 C TYR A 48 -8.275 -2.152 4.013 1.00 0.00 C ATOM 721 O TYR A 48 -9.277 -2.248 3.304 1.00 0.00 O ATOM 722 CB TYR A 48 -6.388 -3.697 4.440 1.00 0.00 C ATOM 723 CG TYR A 48 -5.722 -4.634 5.406 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.121 -4.151 6.555 1.00 0.00 C ATOM 725 CD2 TYR A 48 -5.698 -5.997 5.170 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.509 -5.008 7.450 1.00 0.00 C ATOM 727 CE2 TYR A 48 -5.089 -6.860 6.057 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.498 -6.364 7.192 1.00 0.00 C ATOM 729 OH TYR A 48 -3.899 -7.233 8.071 1.00 0.00 O ATOM 0 H TYR A 48 -9.156 -4.525 3.835 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.800 -3.001 5.906 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.424 -4.164 3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.784 -2.795 4.343 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.130 -3.090 6.755 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.163 -6.391 4.278 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.043 -4.620 8.344 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.077 -7.922 5.859 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.563 -7.874 8.400 1.00 0.00 H new ATOM 739 N THR A 49 -7.520 -1.068 4.060 1.00 0.00 N ATOM 740 CA THR A 49 -7.733 0.038 3.142 1.00 0.00 C ATOM 741 C THR A 49 -6.402 0.582 2.641 1.00 0.00 C ATOM 742 O THR A 49 -5.350 0.268 3.192 1.00 0.00 O ATOM 743 CB THR A 49 -8.531 1.181 3.797 1.00 0.00 C ATOM 744 OG1 THR A 49 -7.713 1.867 4.753 1.00 0.00 O ATOM 745 CG2 THR A 49 -9.778 0.648 4.486 1.00 0.00 C ATOM 0 H THR A 49 -6.756 -0.930 4.722 1.00 0.00 H new ATOM 0 HA THR A 49 -8.311 -0.351 2.304 1.00 0.00 H new ATOM 0 HB THR A 49 -8.835 1.874 3.013 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.228 2.593 5.163 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.324 1.475 4.941 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.415 0.152 3.753 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.490 -0.065 5.258 1.00 0.00 H new ATOM 753 N MET A 50 -6.449 1.383 1.583 1.00 0.00 N ATOM 754 CA MET A 50 -5.232 1.868 0.942 1.00 0.00 C ATOM 755 C MET A 50 -4.439 2.789 1.868 1.00 0.00 C ATOM 756 O MET A 50 -3.269 3.071 1.617 1.00 0.00 O ATOM 757 CB MET A 50 -5.570 2.592 -0.362 1.00 0.00 C ATOM 758 CG MET A 50 -5.470 1.700 -1.587 1.00 0.00 C ATOM 759 SD MET A 50 -3.837 0.961 -1.773 1.00 0.00 S ATOM 760 CE MET A 50 -4.110 -0.122 -3.171 1.00 0.00 C ATOM 0 H MET A 50 -7.314 1.710 1.152 1.00 0.00 H new ATOM 0 HA MET A 50 -4.608 1.003 0.718 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.581 2.994 -0.295 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.897 3.441 -0.483 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.217 0.909 -1.518 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.704 2.284 -2.477 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.944 -1.156 -2.868 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.134 -0.007 -3.525 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.418 0.137 -3.972 1.00 0.00 H new ATOM 770 N LYS A 51 -5.077 3.244 2.943 1.00 0.00 N ATOM 771 CA LYS A 51 -4.405 4.086 3.927 1.00 0.00 C ATOM 772 C LYS A 51 -3.760 3.225 5.006 1.00 0.00 C ATOM 773 O LYS A 51 -2.614 3.449 5.402 1.00 0.00 O ATOM 774 CB LYS A 51 -5.398 5.065 4.558 1.00 0.00 C ATOM 775 CG LYS A 51 -4.765 6.008 5.571 1.00 0.00 C ATOM 776 CD LYS A 51 -5.791 6.960 6.167 1.00 0.00 C ATOM 777 CE LYS A 51 -6.833 6.220 6.991 1.00 0.00 C ATOM 778 NZ LYS A 51 -6.219 5.486 8.131 1.00 0.00 N ATOM 0 H LYS A 51 -6.055 3.044 3.154 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.626 4.656 3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.866 5.654 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.192 4.500 5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.300 5.428 6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.972 6.581 5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.285 7.694 6.794 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.284 7.511 5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.568 6.930 7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.369 5.517 6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.961 5.210 8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.739 4.634 7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.528 6.100 8.608 1.00 0.00 H new ATOM 792 N GLU A 52 -4.497 2.211 5.446 1.00 0.00 N ATOM 793 CA GLU A 52 -3.942 1.177 6.304 1.00 0.00 C ATOM 794 C GLU A 52 -2.724 0.543 5.646 1.00 0.00 C ATOM 795 O GLU A 52 -1.614 0.612 6.169 1.00 0.00 O ATOM 796 CB GLU A 52 -4.998 0.108 6.574 1.00 0.00 C ATOM 797 CG GLU A 52 -5.016 -0.389 8.011 1.00 0.00 C ATOM 798 CD GLU A 52 -5.555 0.645 8.980 1.00 0.00 C ATOM 799 OE1 GLU A 52 -4.751 1.440 9.508 1.00 0.00 O ATOM 800 OE2 GLU A 52 -6.783 0.657 9.212 1.00 0.00 O ATOM 0 H GLU A 52 -5.484 2.085 5.220 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.637 1.629 7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.980 0.510 6.326 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.823 -0.738 5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.625 -1.291 8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.005 -0.667 8.308 1.00 0.00 H new ATOM 807 N VAL A 53 -2.946 -0.061 4.484 1.00 0.00 N ATOM 808 CA VAL A 53 -1.867 -0.648 3.701 1.00 0.00 C ATOM 809 C VAL A 53 -0.760 0.367 3.434 1.00 0.00 C ATOM 810 O VAL A 53 0.417 0.011 3.384 1.00 0.00 O ATOM 811 CB VAL A 53 -2.384 -1.186 2.353 1.00 0.00 C ATOM 812 CG1 VAL A 53 -1.258 -1.839 1.569 1.00 0.00 C ATOM 813 CG2 VAL A 53 -3.526 -2.166 2.572 1.00 0.00 C ATOM 0 H VAL A 53 -3.870 -0.157 4.062 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.465 -1.473 4.289 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.761 -0.346 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.644 -2.212 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.474 -1.106 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.847 -2.668 2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.878 -2.535 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.176 -3.003 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.343 -1.663 3.088 1.00 0.00 H new ATOM 823 N LEU A 54 -1.143 1.631 3.266 1.00 0.00 N ATOM 824 CA LEU A 54 -0.169 2.700 3.065 1.00 0.00 C ATOM 825 C LEU A 54 0.952 2.603 4.093 1.00 0.00 C ATOM 826 O LEU A 54 2.080 2.228 3.762 1.00 0.00 O ATOM 827 CB LEU A 54 -0.852 4.069 3.151 1.00 0.00 C ATOM 828 CG LEU A 54 0.011 5.261 2.723 1.00 0.00 C ATOM 829 CD1 LEU A 54 -0.867 6.415 2.265 1.00 0.00 C ATOM 830 CD2 LEU A 54 0.926 5.701 3.855 1.00 0.00 C ATOM 0 H LEU A 54 -2.116 1.938 3.265 1.00 0.00 H new ATOM 0 HA LEU A 54 0.263 2.588 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.748 4.049 2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.179 4.229 4.178 1.00 0.00 H new ATOM 0 HG LEU A 54 0.635 4.948 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.239 7.253 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.475 6.096 1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.518 6.724 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.529 6.548 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.325 5.994 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.581 4.876 4.135 1.00 0.00 H new ATOM 842 N PHE A 55 0.641 2.942 5.339 1.00 0.00 N ATOM 843 CA PHE A 55 1.652 2.952 6.389 1.00 0.00 C ATOM 844 C PHE A 55 2.117 1.534 6.707 1.00 0.00 C ATOM 845 O PHE A 55 3.274 1.319 7.062 1.00 0.00 O ATOM 846 CB PHE A 55 1.116 3.634 7.655 1.00 0.00 C ATOM 847 CG PHE A 55 0.350 2.721 8.573 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.996 2.472 8.362 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.979 2.116 9.651 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.701 1.638 9.207 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.278 1.280 10.500 1.00 0.00 C ATOM 852 CZ PHE A 55 -1.064 1.041 10.278 1.00 0.00 C ATOM 0 H PHE A 55 -0.294 3.211 5.645 1.00 0.00 H new ATOM 0 HA PHE A 55 2.507 3.522 6.026 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.954 4.063 8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.470 4.461 7.362 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.500 2.936 7.527 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.028 2.300 9.829 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.750 1.452 9.031 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.779 0.814 11.336 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.614 0.389 10.940 1.00 0.00 H new ATOM 862 N TYR A 56 1.202 0.573 6.595 1.00 0.00 N ATOM 863 CA TYR A 56 1.473 -0.794 7.028 1.00 0.00 C ATOM 864 C TYR A 56 2.477 -1.484 6.116 1.00 0.00 C ATOM 865 O TYR A 56 3.564 -1.859 6.555 1.00 0.00 O ATOM 866 CB TYR A 56 0.181 -1.606 7.095 1.00 0.00 C ATOM 867 CG TYR A 56 -0.212 -1.989 8.505 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.757 -2.240 9.471 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.547 -2.099 8.870 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.407 -2.589 10.760 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.906 -2.449 10.158 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.927 -2.695 11.098 1.00 0.00 C ATOM 873 OH TYR A 56 -1.282 -3.045 12.380 1.00 0.00 O ATOM 0 H TYR A 56 0.269 0.716 6.209 1.00 0.00 H new ATOM 0 HA TYR A 56 1.908 -0.737 8.026 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.626 -1.029 6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.297 -2.511 6.499 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.801 -2.160 9.208 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.316 -1.908 8.137 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.172 -2.778 11.499 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.949 -2.530 10.427 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.259 -3.074 12.452 1.00 0.00 H new ATOM 883 N LEU A 57 2.120 -1.651 4.848 1.00 0.00 N ATOM 884 CA LEU A 57 3.038 -2.235 3.882 1.00 0.00 C ATOM 885 C LEU A 57 4.320 -1.415 3.808 1.00 0.00 C ATOM 886 O LEU A 57 5.385 -1.940 3.489 1.00 0.00 O ATOM 887 CB LEU A 57 2.388 -2.337 2.498 1.00 0.00 C ATOM 888 CG LEU A 57 3.284 -2.912 1.393 1.00 0.00 C ATOM 889 CD1 LEU A 57 4.064 -4.118 1.899 1.00 0.00 C ATOM 890 CD2 LEU A 57 2.452 -3.295 0.180 1.00 0.00 C ATOM 0 H LEU A 57 1.209 -1.392 4.469 1.00 0.00 H new ATOM 0 HA LEU A 57 3.285 -3.243 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.496 -2.958 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.059 -1.343 2.195 1.00 0.00 H new ATOM 0 HG LEU A 57 3.997 -2.141 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.692 -4.508 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.691 -3.819 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.368 -4.892 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.103 -3.701 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.716 -4.046 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.939 -2.413 -0.203 1.00 0.00 H new ATOM 902 N GLY A 58 4.219 -0.135 4.154 1.00 0.00 N ATOM 903 CA GLY A 58 5.409 0.665 4.379 1.00 0.00 C ATOM 904 C GLY A 58 6.280 0.101 5.484 1.00 0.00 C ATOM 905 O GLY A 58 7.490 -0.037 5.314 1.00 0.00 O ATOM 0 H GLY A 58 3.337 0.361 4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.987 0.721 3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.117 1.684 4.634 1.00 0.00 H new ATOM 909 N GLN A 59 5.665 -0.244 6.614 1.00 0.00 N ATOM 910 CA GLN A 59 6.388 -0.883 7.710 1.00 0.00 C ATOM 911 C GLN A 59 7.075 -2.154 7.224 1.00 0.00 C ATOM 912 O GLN A 59 8.247 -2.390 7.518 1.00 0.00 O ATOM 913 CB GLN A 59 5.441 -1.227 8.864 1.00 0.00 C ATOM 914 CG GLN A 59 4.541 -0.082 9.298 1.00 0.00 C ATOM 915 CD GLN A 59 5.307 1.201 9.565 1.00 0.00 C ATOM 916 OE1 GLN A 59 6.469 1.172 9.973 1.00 0.00 O ATOM 917 NE2 GLN A 59 4.658 2.337 9.336 1.00 0.00 N ATOM 0 H GLN A 59 4.672 -0.092 6.793 1.00 0.00 H new ATOM 0 HA GLN A 59 7.139 -0.179 8.068 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.818 -2.071 8.568 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.033 -1.552 9.719 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.795 0.100 8.525 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.002 -0.372 10.200 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.696 2.315 8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.122 3.231 9.498 1.00 0.00 H new ATOM 926 N TYR A 60 6.326 -2.978 6.498 1.00 0.00 N ATOM 927 CA TYR A 60 6.819 -4.275 6.053 1.00 0.00 C ATOM 928 C TYR A 60 8.136 -4.142 5.292 1.00 0.00 C ATOM 929 O TYR A 60 9.114 -4.815 5.617 1.00 0.00 O ATOM 930 CB TYR A 60 5.772 -4.969 5.178 1.00 0.00 C ATOM 931 CG TYR A 60 6.175 -6.356 4.741 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.451 -7.340 5.680 1.00 0.00 C ATOM 933 CD2 TYR A 60 6.278 -6.682 3.396 1.00 0.00 C ATOM 934 CE1 TYR A 60 6.823 -8.609 5.291 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.648 -7.952 2.998 1.00 0.00 C ATOM 936 CZ TYR A 60 6.920 -8.912 3.951 1.00 0.00 C ATOM 937 OH TYR A 60 7.291 -10.177 3.560 1.00 0.00 O ATOM 0 H TYR A 60 5.372 -2.769 6.205 1.00 0.00 H new ATOM 0 HA TYR A 60 7.004 -4.882 6.939 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.833 -5.029 5.728 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.586 -4.358 4.295 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.373 -7.108 6.732 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.066 -5.931 2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.038 -9.363 6.034 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.724 -8.192 1.948 1.00 0.00 H new ATOM 0 HH TYR A 60 6.996 -10.827 4.232 1.00 0.00 H new ATOM 947 N ILE A 61 8.158 -3.283 4.275 1.00 0.00 N ATOM 948 CA ILE A 61 9.357 -3.112 3.458 1.00 0.00 C ATOM 949 C ILE A 61 10.508 -2.522 4.265 1.00 0.00 C ATOM 950 O ILE A 61 11.623 -3.042 4.235 1.00 0.00 O ATOM 951 CB ILE A 61 9.101 -2.234 2.218 1.00 0.00 C ATOM 952 CG1 ILE A 61 8.118 -1.107 2.534 1.00 0.00 C ATOM 953 CG2 ILE A 61 8.591 -3.087 1.071 1.00 0.00 C ATOM 954 CD1 ILE A 61 7.829 -0.215 1.346 1.00 0.00 C ATOM 0 H ILE A 61 7.368 -2.700 3.999 1.00 0.00 H new ATOM 0 HA ILE A 61 9.633 -4.111 3.120 1.00 0.00 H new ATOM 0 HB ILE A 61 10.045 -1.776 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.183 -1.539 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 61 8.520 -0.501 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.413 -2.457 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.333 -3.846 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.660 -3.572 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.125 0.564 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.756 0.245 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.398 -0.810 0.541 1.00 0.00 H new ATOM 966 N MET A 62 10.231 -1.448 4.998 1.00 0.00 N ATOM 967 CA MET A 62 11.230 -0.850 5.881 1.00 0.00 C ATOM 968 C MET A 62 11.817 -1.897 6.822 1.00 0.00 C ATOM 969 O MET A 62 12.931 -1.746 7.319 1.00 0.00 O ATOM 970 CB MET A 62 10.611 0.288 6.694 1.00 0.00 C ATOM 971 CG MET A 62 10.032 1.397 5.834 1.00 0.00 C ATOM 972 SD MET A 62 9.301 2.725 6.811 1.00 0.00 S ATOM 973 CE MET A 62 8.706 3.808 5.517 1.00 0.00 C ATOM 0 H MET A 62 9.327 -0.975 4.999 1.00 0.00 H new ATOM 0 HA MET A 62 12.032 -0.449 5.261 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.824 -0.116 7.331 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.370 0.708 7.353 1.00 0.00 H new ATOM 0 HG2 MET A 62 10.818 1.808 5.200 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.274 0.979 5.171 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.227 4.679 5.963 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.544 4.132 4.899 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.985 3.274 4.899 1.00 0.00 H new ATOM 983 N THR A 63 11.059 -2.965 7.050 1.00 0.00 N ATOM 984 CA THR A 63 11.528 -4.076 7.870 1.00 0.00 C ATOM 985 C THR A 63 11.838 -5.301 7.013 1.00 0.00 C ATOM 986 O THR A 63 11.677 -5.274 5.794 1.00 0.00 O ATOM 987 CB THR A 63 10.492 -4.461 8.942 1.00 0.00 C ATOM 988 OG1 THR A 63 9.269 -4.872 8.318 1.00 0.00 O ATOM 989 CG2 THR A 63 10.220 -3.294 9.877 1.00 0.00 C ATOM 0 H THR A 63 10.117 -3.084 6.678 1.00 0.00 H new ATOM 0 HA THR A 63 12.441 -3.741 8.363 1.00 0.00 H new ATOM 0 HB THR A 63 10.898 -5.287 9.526 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.383 -4.875 7.345 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.485 -3.591 10.625 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.146 -3.002 10.373 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.834 -2.451 9.304 1.00 0.00 H new ATOM 997 N LYS A 64 12.277 -6.376 7.665 1.00 0.00 N ATOM 998 CA LYS A 64 12.571 -7.631 6.977 1.00 0.00 C ATOM 999 C LYS A 64 13.631 -7.437 5.897 1.00 0.00 C ATOM 1000 O LYS A 64 13.828 -8.303 5.044 1.00 0.00 O ATOM 1001 CB LYS A 64 11.296 -8.215 6.362 1.00 0.00 C ATOM 1002 CG LYS A 64 10.226 -8.565 7.387 1.00 0.00 C ATOM 1003 CD LYS A 64 10.684 -9.675 8.322 1.00 0.00 C ATOM 1004 CE LYS A 64 10.893 -10.985 7.580 1.00 0.00 C ATOM 1005 NZ LYS A 64 11.358 -12.071 8.486 1.00 0.00 N ATOM 0 H LYS A 64 12.437 -6.403 8.672 1.00 0.00 H new ATOM 0 HA LYS A 64 12.963 -8.330 7.715 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.885 -7.498 5.651 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.553 -9.112 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.976 -7.678 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.316 -8.875 6.872 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.614 -9.380 8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.943 -9.817 9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.959 -11.285 7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.624 -10.839 6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.488 -12.947 7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.262 -11.797 8.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.649 -12.229 9.230 1.00 0.00 H new ATOM 1019 N ARG A 65 14.317 -6.303 5.952 1.00 0.00 N ATOM 1020 CA ARG A 65 15.408 -6.012 5.024 1.00 0.00 C ATOM 1021 C ARG A 65 14.926 -6.050 3.573 1.00 0.00 C ATOM 1022 O ARG A 65 15.725 -6.194 2.649 1.00 0.00 O ATOM 1023 CB ARG A 65 16.554 -7.006 5.228 1.00 0.00 C ATOM 1024 CG ARG A 65 17.863 -6.571 4.587 1.00 0.00 C ATOM 1025 CD ARG A 65 18.977 -7.568 4.863 1.00 0.00 C ATOM 1026 NE ARG A 65 20.245 -7.151 4.270 1.00 0.00 N ATOM 1027 CZ ARG A 65 21.401 -7.768 4.489 1.00 0.00 C ATOM 1028 NH1 ARG A 65 21.452 -8.828 5.286 1.00 0.00 N ATOM 1029 NH2 ARG A 65 22.510 -7.328 3.912 1.00 0.00 N ATOM 0 H ARG A 65 14.138 -5.565 6.632 1.00 0.00 H new ATOM 0 HA ARG A 65 15.769 -5.005 5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.713 -7.149 6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.262 -7.973 4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.725 -6.467 3.511 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.148 -5.591 4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.101 -7.684 5.940 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.696 -8.544 4.468 1.00 0.00 H new ATOM 0 HE ARG A 65 20.243 -6.339 3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.602 -9.172 5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.341 -9.299 5.452 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.477 -6.514 3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.396 -7.803 4.082 1.00 0.00 H new ATOM 1043 N LEU A 66 13.620 -5.888 3.377 1.00 0.00 N ATOM 1044 CA LEU A 66 13.066 -5.725 2.036 1.00 0.00 C ATOM 1045 C LEU A 66 12.904 -4.248 1.692 1.00 0.00 C ATOM 1046 O LEU A 66 11.787 -3.734 1.632 1.00 0.00 O ATOM 1047 CB LEU A 66 11.714 -6.433 1.913 1.00 0.00 C ATOM 1048 CG LEU A 66 11.773 -7.890 1.438 1.00 0.00 C ATOM 1049 CD1 LEU A 66 12.613 -8.010 0.176 1.00 0.00 C ATOM 1050 CD2 LEU A 66 12.319 -8.795 2.532 1.00 0.00 C ATOM 0 H LEU A 66 12.928 -5.866 4.126 1.00 0.00 H new ATOM 0 HA LEU A 66 13.766 -6.177 1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.219 -6.405 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.089 -5.868 1.221 1.00 0.00 H new ATOM 0 HG LEU A 66 10.758 -8.211 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.642 -9.052 -0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.173 -7.400 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.627 -7.665 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.351 -9.823 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.325 -8.473 2.802 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.673 -8.738 3.408 1.00 0.00 H new ATOM 1062 N TYR A 67 14.028 -3.570 1.472 1.00 0.00 N ATOM 1063 CA TYR A 67 14.015 -2.142 1.178 1.00 0.00 C ATOM 1064 C TYR A 67 15.435 -1.633 0.933 1.00 0.00 C ATOM 1065 O TYR A 67 16.382 -2.070 1.585 1.00 0.00 O ATOM 1066 CB TYR A 67 13.364 -1.370 2.330 1.00 0.00 C ATOM 1067 CG TYR A 67 14.296 -1.102 3.491 1.00 0.00 C ATOM 1068 CD1 TYR A 67 14.588 -2.094 4.418 1.00 0.00 C ATOM 1069 CD2 TYR A 67 14.885 0.144 3.656 1.00 0.00 C ATOM 1070 CE1 TYR A 67 15.442 -1.851 5.478 1.00 0.00 C ATOM 1071 CE2 TYR A 67 15.740 0.395 4.711 1.00 0.00 C ATOM 1072 CZ TYR A 67 16.016 -0.605 5.619 1.00 0.00 C ATOM 1073 OH TYR A 67 16.866 -0.358 6.672 1.00 0.00 O ATOM 0 H TYR A 67 14.958 -3.988 1.492 1.00 0.00 H new ATOM 0 HA TYR A 67 13.430 -1.980 0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.988 -0.419 1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.503 -1.932 2.690 1.00 0.00 H new ATOM 0 HD1 TYR A 67 14.141 -3.071 4.309 1.00 0.00 H new ATOM 0 HD2 TYR A 67 14.671 0.930 2.947 1.00 0.00 H new ATOM 0 HE1 TYR A 67 15.658 -2.632 6.191 1.00 0.00 H new ATOM 0 HE2 TYR A 67 16.190 1.370 4.824 1.00 0.00 H new ATOM 0 HH TYR A 67 17.185 0.568 6.625 1.00 0.00 H new ATOM 1083 N ASP A 68 15.570 -0.711 -0.014 1.00 0.00 N ATOM 1084 CA ASP A 68 16.870 -0.131 -0.335 1.00 0.00 C ATOM 1085 C ASP A 68 17.446 0.596 0.873 1.00 0.00 C ATOM 1086 O ASP A 68 16.752 1.370 1.531 1.00 0.00 O ATOM 1087 CB ASP A 68 16.743 0.840 -1.511 1.00 0.00 C ATOM 1088 CG ASP A 68 18.084 1.381 -1.965 1.00 0.00 C ATOM 1089 OD1 ASP A 68 19.100 0.675 -1.787 1.00 0.00 O ATOM 1090 OD2 ASP A 68 18.117 2.506 -2.503 1.00 0.00 O ATOM 0 H ASP A 68 14.797 -0.349 -0.572 1.00 0.00 H new ATOM 0 HA ASP A 68 17.545 -0.941 -0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.258 0.333 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.098 1.671 -1.224 1.00 0.00 H new ATOM 1095 N GLU A 69 18.718 0.344 1.159 1.00 0.00 N ATOM 1096 CA GLU A 69 19.378 0.964 2.302 1.00 0.00 C ATOM 1097 C GLU A 69 19.871 2.365 1.954 1.00 0.00 C ATOM 1098 O GLU A 69 20.902 2.811 2.458 1.00 0.00 O ATOM 1099 CB GLU A 69 20.548 0.096 2.770 1.00 0.00 C ATOM 1100 CG GLU A 69 21.582 -0.167 1.686 1.00 0.00 C ATOM 1101 CD GLU A 69 22.725 -1.036 2.170 1.00 0.00 C ATOM 1102 OE1 GLU A 69 22.621 -2.275 2.052 1.00 0.00 O ATOM 1103 OE2 GLU A 69 23.726 -0.478 2.667 1.00 0.00 O ATOM 0 H GLU A 69 19.312 -0.284 0.617 1.00 0.00 H new ATOM 0 HA GLU A 69 18.651 1.049 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 69 21.035 0.582 3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.161 -0.857 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.098 -0.649 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 69 21.979 0.783 1.329 1.00 0.00 H new ATOM 1110 N LYS A 70 19.128 3.057 1.095 1.00 0.00 N ATOM 1111 CA LYS A 70 19.496 4.410 0.691 1.00 0.00 C ATOM 1112 C LYS A 70 18.437 5.422 1.124 1.00 0.00 C ATOM 1113 O LYS A 70 18.702 6.287 1.959 1.00 0.00 O ATOM 1114 CB LYS A 70 19.698 4.476 -0.824 1.00 0.00 C ATOM 1115 CG LYS A 70 20.826 3.586 -1.322 1.00 0.00 C ATOM 1116 CD LYS A 70 21.030 3.727 -2.822 1.00 0.00 C ATOM 1117 CE LYS A 70 22.172 2.850 -3.311 1.00 0.00 C ATOM 1118 NZ LYS A 70 22.398 2.998 -4.775 1.00 0.00 N ATOM 0 H LYS A 70 18.272 2.705 0.667 1.00 0.00 H new ATOM 0 HA LYS A 70 20.433 4.665 1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 70 18.771 4.187 -1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.905 5.507 -1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.749 3.843 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.604 2.547 -1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.112 3.455 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.239 4.769 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.085 3.110 -2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.953 1.807 -3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.184 2.384 -5.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.536 2.726 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.632 3.988 -4.992 1.00 0.00 H new ATOM 1132 N GLN A 71 17.243 5.314 0.550 1.00 0.00 N ATOM 1133 CA GLN A 71 16.165 6.252 0.854 1.00 0.00 C ATOM 1134 C GLN A 71 14.859 5.519 1.143 1.00 0.00 C ATOM 1135 O GLN A 71 13.795 6.133 1.214 1.00 0.00 O ATOM 1136 CB GLN A 71 15.972 7.235 -0.303 1.00 0.00 C ATOM 1137 CG GLN A 71 17.219 8.035 -0.645 1.00 0.00 C ATOM 1138 CD GLN A 71 17.566 9.069 0.411 1.00 0.00 C ATOM 1139 OE1 GLN A 71 17.277 8.891 1.593 1.00 0.00 O ATOM 1140 NE2 GLN A 71 18.191 10.160 -0.017 1.00 0.00 N ATOM 0 H GLN A 71 16.997 4.590 -0.125 1.00 0.00 H new ATOM 0 HA GLN A 71 16.447 6.807 1.749 1.00 0.00 H new ATOM 0 HB2 GLN A 71 15.653 6.683 -1.187 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.167 7.925 -0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.060 7.352 -0.768 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.072 8.536 -1.602 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.411 10.266 -1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.451 10.892 0.645 1.00 0.00 H new ATOM 1149 N GLN A 72 14.958 4.208 1.339 1.00 0.00 N ATOM 1150 CA GLN A 72 13.820 3.400 1.772 1.00 0.00 C ATOM 1151 C GLN A 72 12.592 3.638 0.892 1.00 0.00 C ATOM 1152 O GLN A 72 11.460 3.419 1.322 1.00 0.00 O ATOM 1153 CB GLN A 72 13.475 3.711 3.232 1.00 0.00 C ATOM 1154 CG GLN A 72 14.647 3.551 4.189 1.00 0.00 C ATOM 1155 CD GLN A 72 15.595 4.734 4.165 1.00 0.00 C ATOM 1156 OE1 GLN A 72 15.181 5.870 3.938 1.00 0.00 O ATOM 1157 NE2 GLN A 72 16.875 4.470 4.399 1.00 0.00 N ATOM 0 H GLN A 72 15.819 3.679 1.204 1.00 0.00 H new ATOM 0 HA GLN A 72 14.107 2.352 1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.102 4.733 3.297 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.665 3.055 3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.267 3.417 5.202 1.00 0.00 H new ATOM 0 HG3 GLN A 72 15.197 2.646 3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.173 3.512 4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.560 5.225 4.395 1.00 0.00 H new ATOM 1166 N HIS A 73 12.820 4.092 -0.339 1.00 0.00 N ATOM 1167 CA HIS A 73 11.725 4.383 -1.261 1.00 0.00 C ATOM 1168 C HIS A 73 11.701 3.389 -2.419 1.00 0.00 C ATOM 1169 O HIS A 73 10.658 3.160 -3.028 1.00 0.00 O ATOM 1170 CB HIS A 73 11.832 5.815 -1.794 1.00 0.00 C ATOM 1171 CG HIS A 73 13.127 6.130 -2.484 1.00 0.00 C ATOM 1172 ND1 HIS A 73 13.362 7.330 -3.123 1.00 0.00 N ATOM 1173 CD2 HIS A 73 14.262 5.402 -2.634 1.00 0.00 C ATOM 1174 CE1 HIS A 73 14.580 7.326 -3.634 1.00 0.00 C ATOM 1175 NE2 HIS A 73 15.147 6.169 -3.351 1.00 0.00 N ATOM 0 H HIS A 73 13.750 4.266 -0.720 1.00 0.00 H new ATOM 0 HA HIS A 73 10.791 4.285 -0.708 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.012 5.992 -2.490 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.700 6.509 -0.964 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.437 4.404 -2.259 1.00 0.00 H new ATOM 0 HE1 HIS A 73 15.035 8.133 -4.189 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.090 5.889 -3.621 1.00 0.00 H new ATOM 1184 N ILE A 74 12.846 2.777 -2.697 1.00 0.00 N ATOM 1185 CA ILE A 74 12.905 1.655 -3.627 1.00 0.00 C ATOM 1186 C ILE A 74 13.038 0.344 -2.863 1.00 0.00 C ATOM 1187 O ILE A 74 13.650 0.302 -1.798 1.00 0.00 O ATOM 1188 CB ILE A 74 14.085 1.791 -4.610 1.00 0.00 C ATOM 1189 CG1 ILE A 74 14.061 3.157 -5.300 1.00 0.00 C ATOM 1190 CG2 ILE A 74 14.042 0.675 -5.643 1.00 0.00 C ATOM 1191 CD1 ILE A 74 12.795 3.428 -6.084 1.00 0.00 C ATOM 0 H ILE A 74 13.745 3.038 -2.293 1.00 0.00 H new ATOM 0 HA ILE A 74 11.978 1.659 -4.200 1.00 0.00 H new ATOM 0 HB ILE A 74 15.014 1.710 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 74 14.183 3.935 -4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 74 14.915 3.228 -5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 74 14.881 0.783 -6.331 1.00 0.00 H new ATOM 0 HG22 ILE A 74 14.108 -0.290 -5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 74 13.107 0.731 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 74 12.855 4.415 -6.543 1.00 0.00 H new ATOM 0 HD12 ILE A 74 12.680 2.673 -6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 74 11.937 3.392 -5.413 1.00 0.00 H new ATOM 1203 N VAL A 75 12.436 -0.716 -3.389 1.00 0.00 N ATOM 1204 CA VAL A 75 12.343 -1.971 -2.654 1.00 0.00 C ATOM 1205 C VAL A 75 12.843 -3.145 -3.479 1.00 0.00 C ATOM 1206 O VAL A 75 12.062 -3.810 -4.159 1.00 0.00 O ATOM 1207 CB VAL A 75 10.901 -2.265 -2.221 1.00 0.00 C ATOM 1208 CG1 VAL A 75 10.869 -3.421 -1.234 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.259 -1.021 -1.637 1.00 0.00 C ATOM 0 H VAL A 75 12.008 -0.732 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 75 12.973 -1.852 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 75 10.323 -2.558 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.839 -3.617 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.287 -4.312 -1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.458 -3.164 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.236 -1.247 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.829 -0.691 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.249 -0.230 -2.387 1.00 0.00 H new ATOM 1219 N TYR A 76 14.138 -3.414 -3.382 1.00 0.00 N ATOM 1220 CA TYR A 76 14.713 -4.620 -3.959 1.00 0.00 C ATOM 1221 C TYR A 76 14.214 -5.862 -3.230 1.00 0.00 C ATOM 1222 O TYR A 76 14.412 -6.007 -2.024 1.00 0.00 O ATOM 1223 CB TYR A 76 16.237 -4.546 -3.899 1.00 0.00 C ATOM 1224 CG TYR A 76 16.780 -3.187 -4.278 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.263 -2.492 -5.366 1.00 0.00 C ATOM 1226 CD2 TYR A 76 17.807 -2.598 -3.551 1.00 0.00 C ATOM 1227 CE1 TYR A 76 16.755 -1.250 -5.716 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.302 -1.356 -3.896 1.00 0.00 C ATOM 1229 CZ TYR A 76 17.774 -0.687 -4.978 1.00 0.00 C ATOM 1230 OH TYR A 76 18.265 0.552 -5.324 1.00 0.00 O ATOM 0 H TYR A 76 14.811 -2.811 -2.908 1.00 0.00 H new ATOM 0 HA TYR A 76 14.399 -4.691 -5.000 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.567 -4.794 -2.890 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.658 -5.298 -4.567 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.464 -2.930 -5.946 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.225 -3.120 -2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 76 16.343 -0.722 -6.564 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.100 -0.911 -3.320 1.00 0.00 H new ATOM 0 HH TYR A 76 18.979 0.806 -4.703 1.00 0.00 H new ATOM 1240 N CYS A 77 13.540 -6.742 -3.964 1.00 0.00 N ATOM 1241 CA CYS A 77 12.869 -7.885 -3.358 1.00 0.00 C ATOM 1242 C CYS A 77 12.884 -9.094 -4.289 1.00 0.00 C ATOM 1243 O CYS A 77 11.886 -9.401 -4.943 1.00 0.00 O ATOM 1244 CB CYS A 77 11.428 -7.518 -2.998 1.00 0.00 C ATOM 1245 SG CYS A 77 10.486 -6.799 -4.364 1.00 0.00 S ATOM 0 H CYS A 77 13.445 -6.685 -4.978 1.00 0.00 H new ATOM 0 HA CYS A 77 13.410 -8.151 -2.450 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.913 -8.413 -2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 77 11.441 -6.811 -2.168 1.00 0.00 H new ATOM 0 HG CYS A 77 10.825 -7.379 -5.477 1.00 0.00 H new ATOM 1251 N SER A 78 14.014 -9.790 -4.323 1.00 0.00 N ATOM 1252 CA SER A 78 14.115 -11.048 -5.056 1.00 0.00 C ATOM 1253 C SER A 78 13.606 -12.208 -4.205 1.00 0.00 C ATOM 1254 O SER A 78 14.132 -12.472 -3.123 1.00 0.00 O ATOM 1255 CB SER A 78 15.563 -11.304 -5.476 1.00 0.00 C ATOM 1256 OG SER A 78 16.417 -11.388 -4.346 1.00 0.00 O ATOM 0 H SER A 78 14.873 -9.506 -3.852 1.00 0.00 H new ATOM 0 HA SER A 78 13.496 -10.973 -5.950 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.620 -12.230 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.901 -10.502 -6.132 1.00 0.00 H new ATOM 0 HG SER A 78 15.928 -11.786 -3.596 1.00 0.00 H new ATOM 1262 N ASN A 79 12.570 -12.886 -4.695 1.00 0.00 N ATOM 1263 CA ASN A 79 11.930 -13.959 -3.942 1.00 0.00 C ATOM 1264 C ASN A 79 11.403 -13.444 -2.607 1.00 0.00 C ATOM 1265 O ASN A 79 11.916 -13.797 -1.544 1.00 0.00 O ATOM 1266 CB ASN A 79 12.911 -15.113 -3.710 1.00 0.00 C ATOM 1267 CG ASN A 79 13.383 -15.745 -5.004 1.00 0.00 C ATOM 1268 OD1 ASN A 79 13.463 -15.083 -6.039 1.00 0.00 O ATOM 1269 ND2 ASN A 79 13.695 -17.034 -4.952 1.00 0.00 N ATOM 0 H ASN A 79 12.157 -12.710 -5.611 1.00 0.00 H new ATOM 0 HA ASN A 79 11.088 -14.327 -4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.773 -14.746 -3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.433 -15.873 -3.092 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.016 -17.515 -5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.614 -17.543 -4.072 1.00 0.00 H new ATOM 1276 N ASP A 80 10.381 -12.596 -2.670 1.00 0.00 N ATOM 1277 CA ASP A 80 9.824 -11.973 -1.475 1.00 0.00 C ATOM 1278 C ASP A 80 8.303 -12.101 -1.450 1.00 0.00 C ATOM 1279 O ASP A 80 7.680 -12.426 -2.463 1.00 0.00 O ATOM 1280 CB ASP A 80 10.224 -10.497 -1.416 1.00 0.00 C ATOM 1281 CG ASP A 80 9.718 -9.807 -0.164 1.00 0.00 C ATOM 1282 OD1 ASP A 80 9.835 -10.401 0.929 1.00 0.00 O ATOM 1283 OD2 ASP A 80 9.205 -8.674 -0.277 1.00 0.00 O ATOM 0 H ASP A 80 9.921 -12.324 -3.539 1.00 0.00 H new ATOM 0 HA ASP A 80 10.226 -12.490 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.310 -10.417 -1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.833 -9.983 -2.294 1.00 0.00 H new ATOM 1288 N LEU A 81 7.709 -11.823 -0.295 1.00 0.00 N ATOM 1289 CA LEU A 81 6.258 -11.764 -0.182 1.00 0.00 C ATOM 1290 C LEU A 81 5.692 -10.687 -1.101 1.00 0.00 C ATOM 1291 O LEU A 81 4.590 -10.828 -1.632 1.00 0.00 O ATOM 1292 CB LEU A 81 5.841 -11.493 1.268 1.00 0.00 C ATOM 1293 CG LEU A 81 5.986 -12.680 2.226 1.00 0.00 C ATOM 1294 CD1 LEU A 81 5.174 -13.869 1.733 1.00 0.00 C ATOM 1295 CD2 LEU A 81 7.448 -13.063 2.398 1.00 0.00 C ATOM 0 H LEU A 81 8.209 -11.635 0.574 1.00 0.00 H new ATOM 0 HA LEU A 81 5.854 -12.729 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.437 -10.664 1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.801 -11.168 1.274 1.00 0.00 H new ATOM 0 HG LEU A 81 5.598 -12.379 3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.290 -14.702 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.122 -13.591 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.528 -14.167 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.525 -13.908 3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.868 -13.340 1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.001 -12.216 2.804 1.00 0.00 H new ATOM 1307 N LEU A 82 6.470 -9.629 -1.318 1.00 0.00 N ATOM 1308 CA LEU A 82 6.145 -8.645 -2.344 1.00 0.00 C ATOM 1309 C LEU A 82 6.165 -9.302 -3.720 1.00 0.00 C ATOM 1310 O LEU A 82 5.360 -8.970 -4.589 1.00 0.00 O ATOM 1311 CB LEU A 82 7.134 -7.470 -2.301 1.00 0.00 C ATOM 1312 CG LEU A 82 6.778 -6.267 -3.182 1.00 0.00 C ATOM 1313 CD1 LEU A 82 7.071 -6.551 -4.648 1.00 0.00 C ATOM 1314 CD2 LEU A 82 5.318 -5.875 -2.995 1.00 0.00 C ATOM 0 H LEU A 82 7.326 -9.433 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 82 5.145 -8.257 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.219 -7.129 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.117 -7.836 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 82 7.403 -5.430 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.808 -5.679 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.132 -6.770 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.483 -7.408 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.087 -5.019 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.678 -6.714 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.143 -5.611 -1.952 1.00 0.00 H new ATOM 1326 N GLY A 83 7.079 -10.249 -3.904 1.00 0.00 N ATOM 1327 CA GLY A 83 7.100 -11.031 -5.126 1.00 0.00 C ATOM 1328 C GLY A 83 5.761 -11.679 -5.410 1.00 0.00 C ATOM 1329 O GLY A 83 5.318 -11.727 -6.558 1.00 0.00 O ATOM 0 H GLY A 83 7.805 -10.489 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.376 -10.389 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.867 -11.802 -5.049 1.00 0.00 H new ATOM 1333 N ASP A 84 5.102 -12.151 -4.357 1.00 0.00 N ATOM 1334 CA ASP A 84 3.729 -12.633 -4.471 1.00 0.00 C ATOM 1335 C ASP A 84 2.803 -11.519 -4.947 1.00 0.00 C ATOM 1336 O ASP A 84 1.857 -11.762 -5.696 1.00 0.00 O ATOM 1337 CB ASP A 84 3.240 -13.179 -3.127 1.00 0.00 C ATOM 1338 CG ASP A 84 4.081 -14.338 -2.632 1.00 0.00 C ATOM 1339 OD1 ASP A 84 5.076 -14.088 -1.920 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.747 -15.497 -2.957 1.00 0.00 O ATOM 0 H ASP A 84 5.494 -12.210 -3.417 1.00 0.00 H new ATOM 0 HA ASP A 84 3.713 -13.437 -5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.256 -12.380 -2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.204 -13.502 -3.225 1.00 0.00 H new ATOM 1345 N LEU A 85 3.084 -10.298 -4.505 1.00 0.00 N ATOM 1346 CA LEU A 85 2.279 -9.141 -4.885 1.00 0.00 C ATOM 1347 C LEU A 85 2.483 -8.800 -6.355 1.00 0.00 C ATOM 1348 O LEU A 85 1.641 -9.106 -7.199 1.00 0.00 O ATOM 1349 CB LEU A 85 2.636 -7.922 -4.024 1.00 0.00 C ATOM 1350 CG LEU A 85 2.387 -8.049 -2.511 1.00 0.00 C ATOM 1351 CD1 LEU A 85 1.514 -6.903 -2.028 1.00 0.00 C ATOM 1352 CD2 LEU A 85 1.756 -9.387 -2.150 1.00 0.00 C ATOM 0 H LEU A 85 3.863 -10.083 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 85 1.233 -9.398 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.691 -7.694 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.068 -7.067 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 85 3.354 -8.000 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.344 -7.002 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.013 -5.955 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.558 -6.928 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.597 -9.435 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.800 -9.488 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.419 -10.196 -2.456 1.00 0.00 H new ATOM 1364 N PHE A 86 3.607 -8.151 -6.651 1.00 0.00 N ATOM 1365 CA PHE A 86 3.895 -7.693 -8.006 1.00 0.00 C ATOM 1366 C PHE A 86 4.897 -8.618 -8.690 1.00 0.00 C ATOM 1367 O PHE A 86 4.706 -9.017 -9.839 1.00 0.00 O ATOM 1368 CB PHE A 86 4.447 -6.263 -7.984 1.00 0.00 C ATOM 1369 CG PHE A 86 3.526 -5.239 -7.367 1.00 0.00 C ATOM 1370 CD1 PHE A 86 2.267 -5.591 -6.904 1.00 0.00 C ATOM 1371 CD2 PHE A 86 3.929 -3.916 -7.252 1.00 0.00 C ATOM 1372 CE1 PHE A 86 1.431 -4.647 -6.340 1.00 0.00 C ATOM 1373 CE2 PHE A 86 3.095 -2.969 -6.689 1.00 0.00 C ATOM 1374 CZ PHE A 86 1.846 -3.336 -6.231 1.00 0.00 C ATOM 0 H PHE A 86 4.333 -7.931 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 86 2.962 -7.707 -8.569 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.389 -6.261 -7.436 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.672 -5.960 -9.006 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.936 -6.616 -6.985 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.906 -3.623 -7.607 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.453 -4.935 -5.984 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.420 -1.942 -6.607 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.194 -2.598 -5.788 1.00 0.00 H new ATOM 1384 N GLY A 87 5.973 -8.939 -7.979 1.00 0.00 N ATOM 1385 CA GLY A 87 7.040 -9.734 -8.559 1.00 0.00 C ATOM 1386 C GLY A 87 8.208 -8.882 -9.016 1.00 0.00 C ATOM 1387 O GLY A 87 9.086 -9.353 -9.740 1.00 0.00 O ATOM 0 H GLY A 87 6.125 -8.662 -7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.388 -10.461 -7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.651 -10.298 -9.407 1.00 0.00 H new ATOM 1391 N VAL A 88 8.211 -7.619 -8.598 1.00 0.00 N ATOM 1392 CA VAL A 88 9.232 -6.670 -9.027 1.00 0.00 C ATOM 1393 C VAL A 88 10.590 -7.004 -8.415 1.00 0.00 C ATOM 1394 O VAL A 88 10.667 -7.523 -7.302 1.00 0.00 O ATOM 1395 CB VAL A 88 8.853 -5.227 -8.635 1.00 0.00 C ATOM 1396 CG1 VAL A 88 7.477 -4.867 -9.172 1.00 0.00 C ATOM 1397 CG2 VAL A 88 8.900 -5.050 -7.125 1.00 0.00 C ATOM 0 H VAL A 88 7.516 -7.229 -7.961 1.00 0.00 H new ATOM 0 HA VAL A 88 9.296 -6.745 -10.112 1.00 0.00 H new ATOM 0 HB VAL A 88 9.582 -4.551 -9.082 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.230 -3.845 -8.884 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.478 -4.947 -10.259 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.735 -5.550 -8.759 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.629 -4.025 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.197 -5.738 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 88 9.907 -5.259 -6.765 1.00 0.00 H new ATOM 1407 N PRO A 89 11.683 -6.655 -9.117 1.00 0.00 N ATOM 1408 CA PRO A 89 13.018 -6.605 -8.520 1.00 0.00 C ATOM 1409 C PRO A 89 13.186 -5.382 -7.624 1.00 0.00 C ATOM 1410 O PRO A 89 14.085 -5.327 -6.788 1.00 0.00 O ATOM 1411 CB PRO A 89 13.939 -6.512 -9.735 1.00 0.00 C ATOM 1412 CG PRO A 89 13.124 -5.816 -10.768 1.00 0.00 C ATOM 1413 CD PRO A 89 11.697 -6.238 -10.534 1.00 0.00 C ATOM 0 HA PRO A 89 13.225 -7.464 -7.881 1.00 0.00 H new ATOM 0 HB2 PRO A 89 14.847 -5.954 -9.503 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.250 -7.500 -10.074 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.229 -4.734 -10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.451 -6.090 -11.771 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.002 -5.419 -10.717 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.408 -7.055 -11.195 1.00 0.00 H new ATOM 1421 N SER A 90 12.297 -4.410 -7.808 1.00 0.00 N ATOM 1422 CA SER A 90 12.269 -3.210 -6.978 1.00 0.00 C ATOM 1423 C SER A 90 10.975 -2.436 -7.208 1.00 0.00 C ATOM 1424 O SER A 90 10.514 -2.329 -8.345 1.00 0.00 O ATOM 1425 CB SER A 90 13.464 -2.313 -7.292 1.00 0.00 C ATOM 1426 OG SER A 90 13.543 -2.034 -8.680 1.00 0.00 O ATOM 0 H SER A 90 11.579 -4.431 -8.533 1.00 0.00 H new ATOM 0 HA SER A 90 12.322 -3.518 -5.934 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.379 -1.380 -6.735 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.383 -2.798 -6.963 1.00 0.00 H new ATOM 0 HG SER A 90 14.315 -1.457 -8.854 1.00 0.00 H new ATOM 1432 N PHE A 91 10.398 -1.877 -6.145 1.00 0.00 N ATOM 1433 CA PHE A 91 9.243 -0.995 -6.315 1.00 0.00 C ATOM 1434 C PHE A 91 9.397 0.301 -5.530 1.00 0.00 C ATOM 1435 O PHE A 91 10.016 0.333 -4.467 1.00 0.00 O ATOM 1436 CB PHE A 91 7.933 -1.708 -5.939 1.00 0.00 C ATOM 1437 CG PHE A 91 7.668 -1.847 -4.462 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.113 -0.802 -3.736 1.00 0.00 C ATOM 1439 CD2 PHE A 91 7.937 -3.037 -3.808 1.00 0.00 C ATOM 1440 CE1 PHE A 91 6.840 -0.939 -2.390 1.00 0.00 C ATOM 1441 CE2 PHE A 91 7.662 -3.183 -2.461 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.113 -2.132 -1.751 1.00 0.00 C ATOM 0 H PHE A 91 10.701 -2.013 -5.181 1.00 0.00 H new ATOM 0 HA PHE A 91 9.196 -0.735 -7.372 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.102 -1.165 -6.389 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.941 -2.703 -6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.892 0.132 -4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.367 -3.862 -4.357 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.414 -0.115 -1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.876 -4.118 -1.964 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.898 -2.244 -0.699 1.00 0.00 H new ATOM 1452 N SER A 92 8.841 1.374 -6.087 1.00 0.00 N ATOM 1453 CA SER A 92 8.999 2.707 -5.519 1.00 0.00 C ATOM 1454 C SER A 92 7.739 3.142 -4.778 1.00 0.00 C ATOM 1455 O SER A 92 6.699 3.386 -5.389 1.00 0.00 O ATOM 1456 CB SER A 92 9.326 3.715 -6.622 1.00 0.00 C ATOM 1457 OG SER A 92 8.397 3.626 -7.687 1.00 0.00 O ATOM 0 H SER A 92 8.275 1.344 -6.935 1.00 0.00 H new ATOM 0 HA SER A 92 9.822 2.673 -4.805 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.316 4.724 -6.211 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.333 3.533 -6.998 1.00 0.00 H new ATOM 0 HG SER A 92 7.515 3.386 -7.333 1.00 0.00 H new ATOM 1463 N VAL A 93 7.847 3.244 -3.459 1.00 0.00 N ATOM 1464 CA VAL A 93 6.736 3.699 -2.629 1.00 0.00 C ATOM 1465 C VAL A 93 6.453 5.183 -2.846 1.00 0.00 C ATOM 1466 O VAL A 93 5.349 5.654 -2.581 1.00 0.00 O ATOM 1467 CB VAL A 93 7.005 3.454 -1.130 1.00 0.00 C ATOM 1468 CG1 VAL A 93 6.278 2.207 -0.654 1.00 0.00 C ATOM 1469 CG2 VAL A 93 8.495 3.353 -0.856 1.00 0.00 C ATOM 0 H VAL A 93 8.695 3.017 -2.939 1.00 0.00 H new ATOM 0 HA VAL A 93 5.866 3.117 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 93 6.620 4.306 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.480 2.050 0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.206 2.331 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.627 1.344 -1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.658 3.180 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.915 2.525 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.983 4.282 -1.152 1.00 0.00 H new ATOM 1479 N LYS A 94 7.456 5.914 -3.328 1.00 0.00 N ATOM 1480 CA LYS A 94 7.305 7.345 -3.578 1.00 0.00 C ATOM 1481 C LYS A 94 6.068 7.626 -4.426 1.00 0.00 C ATOM 1482 O LYS A 94 5.173 8.362 -4.009 1.00 0.00 O ATOM 1483 CB LYS A 94 8.550 7.901 -4.273 1.00 0.00 C ATOM 1484 CG LYS A 94 9.634 8.356 -3.311 1.00 0.00 C ATOM 1485 CD LYS A 94 9.209 9.595 -2.540 1.00 0.00 C ATOM 1486 CE LYS A 94 10.303 10.069 -1.598 1.00 0.00 C ATOM 1487 NZ LYS A 94 9.906 11.299 -0.857 1.00 0.00 N ATOM 0 H LYS A 94 8.378 5.541 -3.552 1.00 0.00 H new ATOM 0 HA LYS A 94 7.183 7.841 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.960 7.136 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.259 8.742 -4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.863 7.552 -2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.549 8.567 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.960 10.392 -3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.306 9.378 -1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.538 9.277 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.212 10.266 -2.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.680 11.589 -0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.707 12.063 -1.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.054 11.105 -0.293 1.00 0.00 H new ATOM 1501 N GLU A 95 6.021 7.028 -5.611 1.00 0.00 N ATOM 1502 CA GLU A 95 4.861 7.155 -6.485 1.00 0.00 C ATOM 1503 C GLU A 95 3.719 6.264 -6.005 1.00 0.00 C ATOM 1504 O GLU A 95 3.458 5.207 -6.577 1.00 0.00 O ATOM 1505 CB GLU A 95 5.238 6.801 -7.926 1.00 0.00 C ATOM 1506 CG GLU A 95 6.051 5.520 -8.046 1.00 0.00 C ATOM 1507 CD GLU A 95 6.336 5.146 -9.487 1.00 0.00 C ATOM 1508 OE1 GLU A 95 7.378 5.585 -10.019 1.00 0.00 O ATOM 1509 OE2 GLU A 95 5.520 4.411 -10.083 1.00 0.00 O ATOM 0 H GLU A 95 6.772 6.451 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 95 4.524 8.191 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.327 6.700 -8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.808 7.625 -8.356 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.994 5.640 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.512 4.705 -7.562 1.00 0.00 H new ATOM 1516 N HIS A 96 3.050 6.695 -4.939 1.00 0.00 N ATOM 1517 CA HIS A 96 1.984 5.903 -4.333 1.00 0.00 C ATOM 1518 C HIS A 96 0.837 5.690 -5.313 1.00 0.00 C ATOM 1519 O HIS A 96 0.165 4.659 -5.278 1.00 0.00 O ATOM 1520 CB HIS A 96 1.459 6.589 -3.071 1.00 0.00 C ATOM 1521 CG HIS A 96 2.491 6.780 -2.004 1.00 0.00 C ATOM 1522 ND1 HIS A 96 3.283 7.906 -1.914 1.00 0.00 N ATOM 1523 CD2 HIS A 96 2.853 5.985 -0.968 1.00 0.00 C ATOM 1524 CE1 HIS A 96 4.085 7.797 -0.869 1.00 0.00 C ATOM 1525 NE2 HIS A 96 3.844 6.641 -0.280 1.00 0.00 N ATOM 0 H HIS A 96 3.227 7.587 -4.478 1.00 0.00 H new ATOM 0 HA HIS A 96 2.401 4.932 -4.067 1.00 0.00 H new ATOM 0 HB2 HIS A 96 1.049 7.562 -3.343 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.637 5.999 -2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.439 5.017 -0.728 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.813 8.529 -0.552 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.318 6.291 0.553 1.00 0.00 H new ATOM 1534 N ARG A 97 0.604 6.677 -6.171 1.00 0.00 N ATOM 1535 CA ARG A 97 -0.520 6.634 -7.099 1.00 0.00 C ATOM 1536 C ARG A 97 -0.520 5.333 -7.894 1.00 0.00 C ATOM 1537 O ARG A 97 -1.456 4.539 -7.803 1.00 0.00 O ATOM 1538 CB ARG A 97 -0.470 7.830 -8.053 1.00 0.00 C ATOM 1539 CG ARG A 97 -1.622 7.867 -9.046 1.00 0.00 C ATOM 1540 CD ARG A 97 -1.508 9.052 -9.989 1.00 0.00 C ATOM 1541 NE ARG A 97 -2.596 9.085 -10.962 1.00 0.00 N ATOM 1542 CZ ARG A 97 -2.635 9.914 -12.001 1.00 0.00 C ATOM 1543 NH1 ARG A 97 -1.646 10.777 -12.202 1.00 0.00 N ATOM 1544 NH2 ARG A 97 -3.660 9.882 -12.841 1.00 0.00 N ATOM 0 H ARG A 97 1.179 7.517 -6.243 1.00 0.00 H new ATOM 0 HA ARG A 97 -1.440 6.683 -6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.475 8.750 -7.469 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.471 7.807 -8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.636 6.942 -9.623 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -2.567 7.920 -8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.511 9.976 -9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -0.554 9.007 -10.514 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.371 8.434 -10.838 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.855 10.805 -11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.678 11.412 -13.000 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.422 9.220 -12.691 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.687 10.519 -13.637 1.00 0.00 H new ATOM 1558 N LYS A 98 0.535 5.122 -8.673 1.00 0.00 N ATOM 1559 CA LYS A 98 0.643 3.928 -9.501 1.00 0.00 C ATOM 1560 C LYS A 98 0.946 2.700 -8.653 1.00 0.00 C ATOM 1561 O LYS A 98 0.339 1.646 -8.836 1.00 0.00 O ATOM 1562 CB LYS A 98 1.730 4.112 -10.561 1.00 0.00 C ATOM 1563 CG LYS A 98 1.472 5.278 -11.502 1.00 0.00 C ATOM 1564 CD LYS A 98 2.577 5.415 -12.535 1.00 0.00 C ATOM 1565 CE LYS A 98 2.311 6.571 -13.485 1.00 0.00 C ATOM 1566 NZ LYS A 98 1.045 6.386 -14.245 1.00 0.00 N ATOM 0 H LYS A 98 1.326 5.761 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.316 3.775 -9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.688 4.262 -10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.814 3.196 -11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.517 5.135 -12.007 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.394 6.201 -10.927 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.531 5.569 -12.031 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.663 4.488 -13.103 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.262 7.501 -12.919 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.143 6.666 -14.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.015 7.057 -15.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.999 5.414 -14.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.234 6.557 -13.616 1.00 0.00 H new ATOM 1580 N ILE A 99 1.895 2.839 -7.736 1.00 0.00 N ATOM 1581 CA ILE A 99 2.352 1.714 -6.927 1.00 0.00 C ATOM 1582 C ILE A 99 1.179 1.038 -6.219 1.00 0.00 C ATOM 1583 O ILE A 99 1.179 -0.179 -6.010 1.00 0.00 O ATOM 1584 CB ILE A 99 3.431 2.161 -5.902 1.00 0.00 C ATOM 1585 CG1 ILE A 99 4.529 1.097 -5.786 1.00 0.00 C ATOM 1586 CG2 ILE A 99 2.827 2.447 -4.536 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.086 -0.165 -5.079 1.00 0.00 C ATOM 0 H ILE A 99 2.365 3.721 -7.533 1.00 0.00 H new ATOM 0 HA ILE A 99 2.808 0.987 -7.598 1.00 0.00 H new ATOM 0 HB ILE A 99 3.870 3.089 -6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 99 4.878 0.838 -6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.379 1.522 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.614 2.756 -3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.088 3.243 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.346 1.546 -4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.917 -0.869 -5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.765 0.079 -4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.257 -0.615 -5.624 1.00 0.00 H new ATOM 1599 N TYR A 100 0.162 1.825 -5.889 1.00 0.00 N ATOM 1600 CA TYR A 100 -1.040 1.289 -5.265 1.00 0.00 C ATOM 1601 C TYR A 100 -2.004 0.740 -6.309 1.00 0.00 C ATOM 1602 O TYR A 100 -2.656 -0.279 -6.087 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.723 2.363 -4.419 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.969 2.677 -3.148 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.184 1.977 -2.823 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -1.406 3.664 -2.276 1.00 0.00 C ATOM 1607 CE1 TYR A 100 0.883 2.248 -1.670 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.711 3.943 -1.115 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.432 3.232 -0.817 1.00 0.00 C ATOM 1610 OH TYR A 100 1.130 3.507 0.337 1.00 0.00 O ATOM 0 H TYR A 100 0.146 2.833 -6.043 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.745 0.465 -4.615 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.825 3.273 -5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.731 2.033 -4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.540 1.204 -3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -2.301 4.222 -2.508 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.779 1.693 -1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.061 4.714 -0.445 1.00 0.00 H new ATOM 0 HH TYR A 100 2.021 3.102 0.285 1.00 0.00 H new ATOM 1620 N THR A 101 -2.081 1.410 -7.455 1.00 0.00 N ATOM 1621 CA THR A 101 -2.924 0.946 -8.550 1.00 0.00 C ATOM 1622 C THR A 101 -2.325 -0.286 -9.217 1.00 0.00 C ATOM 1623 O THR A 101 -2.963 -0.921 -10.057 1.00 0.00 O ATOM 1624 CB THR A 101 -3.129 2.043 -9.613 1.00 0.00 C ATOM 1625 OG1 THR A 101 -1.864 2.486 -10.111 1.00 0.00 O ATOM 1626 CG2 THR A 101 -3.892 3.225 -9.034 1.00 0.00 C ATOM 0 H THR A 101 -1.572 2.272 -7.648 1.00 0.00 H new ATOM 0 HA THR A 101 -3.891 0.691 -8.116 1.00 0.00 H new ATOM 0 HB THR A 101 -3.713 1.619 -10.430 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.156 1.897 -9.776 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.024 3.985 -9.804 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.868 2.891 -8.683 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.331 3.647 -8.200 1.00 0.00 H new ATOM 1634 N MET A 102 -1.116 -0.651 -8.803 1.00 0.00 N ATOM 1635 CA MET A 102 -0.584 -1.974 -9.095 1.00 0.00 C ATOM 1636 C MET A 102 -1.002 -2.948 -8.009 1.00 0.00 C ATOM 1637 O MET A 102 -1.279 -4.118 -8.282 1.00 0.00 O ATOM 1638 CB MET A 102 0.941 -1.942 -9.200 1.00 0.00 C ATOM 1639 CG MET A 102 1.462 -0.827 -10.082 1.00 0.00 C ATOM 1640 SD MET A 102 3.236 -0.940 -10.381 1.00 0.00 S ATOM 1641 CE MET A 102 3.880 -0.532 -8.760 1.00 0.00 C ATOM 0 H MET A 102 -0.490 -0.051 -8.267 1.00 0.00 H new ATOM 0 HA MET A 102 -0.987 -2.300 -10.054 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.364 -1.832 -8.201 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.291 -2.897 -9.591 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.936 -0.849 -11.036 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.237 0.133 -9.617 1.00 0.00 H new ATOM 0 HE1 MET A 102 4.419 0.414 -8.810 1.00 0.00 H new ATOM 0 HE2 MET A 102 3.055 -0.443 -8.053 1.00 0.00 H new ATOM 0 HE3 MET A 102 4.558 -1.319 -8.429 1.00 0.00 H new ATOM 1651 N ILE A 103 -1.072 -2.452 -6.777 1.00 0.00 N ATOM 1652 CA ILE A 103 -1.611 -3.241 -5.681 1.00 0.00 C ATOM 1653 C ILE A 103 -3.014 -3.743 -6.007 1.00 0.00 C ATOM 1654 O ILE A 103 -3.370 -4.876 -5.682 1.00 0.00 O ATOM 1655 CB ILE A 103 -1.662 -2.444 -4.360 1.00 0.00 C ATOM 1656 CG1 ILE A 103 -0.256 -1.994 -3.955 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -2.293 -3.288 -3.260 1.00 0.00 C ATOM 1658 CD1 ILE A 103 -0.196 -1.319 -2.601 1.00 0.00 C ATOM 0 H ILE A 103 -0.764 -1.515 -6.517 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.936 -4.087 -5.551 1.00 0.00 H new ATOM 0 HB ILE A 103 -2.276 -1.556 -4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.405 -2.861 -3.948 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.127 -1.307 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -2.323 -2.715 -2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -3.307 -3.564 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.701 -4.191 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.832 -1.029 -2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.829 -0.432 -2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -0.547 -2.010 -1.834 1.00 0.00 H new ATOM 1670 N TYR A 104 -3.816 -2.886 -6.637 1.00 0.00 N ATOM 1671 CA TYR A 104 -5.214 -3.206 -6.899 1.00 0.00 C ATOM 1672 C TYR A 104 -5.539 -3.078 -8.384 1.00 0.00 C ATOM 1673 O TYR A 104 -4.988 -2.226 -9.081 1.00 0.00 O ATOM 1674 CB TYR A 104 -6.130 -2.302 -6.067 1.00 0.00 C ATOM 1675 CG TYR A 104 -6.347 -0.918 -6.638 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -7.377 -0.664 -7.537 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -5.530 0.140 -6.262 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -7.584 0.603 -8.046 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -5.729 1.411 -6.769 1.00 0.00 C ATOM 1680 CZ TYR A 104 -6.757 1.636 -7.660 1.00 0.00 C ATOM 1681 OH TYR A 104 -6.961 2.900 -8.165 1.00 0.00 O ATOM 0 H TYR A 104 -3.521 -1.969 -6.973 1.00 0.00 H new ATOM 0 HA TYR A 104 -5.386 -4.242 -6.608 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.098 -2.791 -5.959 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -5.709 -2.205 -5.066 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.026 -1.471 -7.842 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.726 -0.033 -5.562 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.389 0.783 -8.743 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -5.083 2.223 -6.469 1.00 0.00 H new ATOM 0 HH TYR A 104 -6.544 3.560 -7.573 1.00 0.00 H new