USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=29 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 71 GLN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Set 1.2: A 73 HIS : no HE2:sc= -1.12 X(o=-1.1,f=-1.6) USER MOD Single : A 26 THR OG1 : rot 34:sc= 0.0609 USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= -2.49! (180deg=-4.59!) USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -0.0507 (180deg=-0.282) USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= -5.21! (180deg=-7.02!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -1.9 K(o=-1.9,f=-11!) USER MOD Single : A 45 LYS NZ :NH3+ -159:sc= -0.512 (180deg=-1.45) USER MOD Single : A 47 THR OG1 : rot -150:sc= -0.781 USER MOD Single : A 48 TYR OH : rot 78:sc= -3.6 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.693 USER MOD Single : A 50 MET CE :methyl 153:sc= -0.253 (180deg=-1.04) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0379 (180deg=-0.284) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 59 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.11) USER MOD Single : A 60 TYR OH : rot 180:sc= -2.03! USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 53:sc= 0.74 USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.0275 (180deg=-0.233) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -145:sc= -0.0606 (180deg=-1.4) USER MOD Single : A 72 GLN : amide:sc= -2.77! C(o=-2.8!,f=-4.4!) USER MOD Single : A 76 TYR OH : rot 172:sc= 0.783 USER MOD Single : A 77 CYS SG : rot -160:sc= -5.36! USER MOD Single : A 78 SER OG : rot -28:sc= 0.48 USER MOD Single : A 79 ASN : amide:sc= -4.6! K(o=-4.6!,f=-1.1) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= -0.0149 (180deg=-0.243) USER MOD Single : A 96 HIS : no HD1:sc= -0.345 X(o=-0.34,f=0.015) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= -0.63 (180deg=-0.722) USER MOD Single : A 100 TYR OH : rot -137:sc= 1.08 USER MOD Single : A 101 THR OG1 : rot 64:sc= 1.25 USER MOD Single : A 102 MET CE :methyl 150:sc= -7.3! (180deg=-9.52!) USER MOD Single : A 104 TYR OH : rot 0:sc= -0.839 USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -12.249 1.663 1.649 1.00 0.00 N ATOM 348 CA THR A 26 -12.657 0.326 1.242 1.00 0.00 C ATOM 349 C THR A 26 -12.230 -0.712 2.265 1.00 0.00 C ATOM 350 O THR A 26 -11.041 -0.905 2.493 1.00 0.00 O ATOM 351 CB THR A 26 -12.051 -0.038 -0.126 1.00 0.00 C ATOM 352 OG1 THR A 26 -12.503 0.887 -1.123 1.00 0.00 O ATOM 353 CG2 THR A 26 -12.435 -1.452 -0.532 1.00 0.00 C ATOM 0 HA THR A 26 -13.744 0.328 1.168 1.00 0.00 H new ATOM 0 HB THR A 26 -10.966 0.016 -0.042 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.614 1.773 -0.720 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.995 -1.684 -1.502 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.066 -2.157 0.213 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.520 -1.529 -0.599 1.00 0.00 H new ATOM 361 N LEU A 27 -13.200 -1.411 2.848 1.00 0.00 N ATOM 362 CA LEU A 27 -12.897 -2.565 3.670 1.00 0.00 C ATOM 363 C LEU A 27 -12.625 -3.750 2.776 1.00 0.00 C ATOM 364 O LEU A 27 -13.244 -4.805 2.894 1.00 0.00 O ATOM 365 CB LEU A 27 -14.030 -2.858 4.649 1.00 0.00 C ATOM 366 CG LEU A 27 -13.982 -2.023 5.927 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.681 -2.278 6.672 1.00 0.00 C ATOM 368 CD2 LEU A 27 -14.122 -0.546 5.592 1.00 0.00 C ATOM 0 H LEU A 27 -14.194 -1.196 2.764 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.009 -2.357 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.982 -2.682 4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.000 -3.914 4.917 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.812 -2.314 6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.659 -1.677 7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.612 -3.334 6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.838 -2.006 6.036 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.087 0.040 6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.306 -0.243 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.074 -0.376 5.089 1.00 0.00 H new ATOM 380 N VAL A 28 -11.697 -3.533 1.864 1.00 0.00 N ATOM 381 CA VAL A 28 -11.303 -4.538 0.898 1.00 0.00 C ATOM 382 C VAL A 28 -10.815 -5.783 1.609 1.00 0.00 C ATOM 383 O VAL A 28 -10.161 -5.701 2.647 1.00 0.00 O ATOM 384 CB VAL A 28 -10.188 -4.004 -0.017 1.00 0.00 C ATOM 385 CG1 VAL A 28 -9.338 -3.015 0.754 1.00 0.00 C ATOM 386 CG2 VAL A 28 -9.332 -5.140 -0.554 1.00 0.00 C ATOM 0 H VAL A 28 -11.194 -2.651 1.773 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.174 -4.784 0.290 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.642 -3.502 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.547 -2.634 0.108 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.960 -2.186 1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.895 -3.512 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.552 -4.735 -1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.874 -5.675 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.956 -5.826 -1.128 1.00 0.00 H new ATOM 396 N ARG A 29 -11.156 -6.933 1.062 1.00 0.00 N ATOM 397 CA ARG A 29 -10.873 -8.186 1.730 1.00 0.00 C ATOM 398 C ARG A 29 -10.332 -9.214 0.739 1.00 0.00 C ATOM 399 O ARG A 29 -11.047 -10.126 0.324 1.00 0.00 O ATOM 400 CB ARG A 29 -12.141 -8.711 2.406 1.00 0.00 C ATOM 401 CG ARG A 29 -12.936 -7.633 3.131 1.00 0.00 C ATOM 402 CD ARG A 29 -14.285 -8.157 3.597 1.00 0.00 C ATOM 403 NE ARG A 29 -15.110 -8.613 2.482 1.00 0.00 N ATOM 404 CZ ARG A 29 -16.354 -9.062 2.621 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.915 -9.115 3.822 1.00 0.00 N ATOM 406 NH2 ARG A 29 -17.039 -9.459 1.557 1.00 0.00 N ATOM 0 H ARG A 29 -11.627 -7.025 0.162 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.111 -8.014 2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.778 -9.176 1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.867 -9.490 3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.367 -7.274 3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.084 -6.781 2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.133 -8.980 4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.811 -7.372 4.140 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.710 -8.586 1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.392 -8.811 4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.869 -9.460 3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.612 -9.420 0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.993 -9.803 1.664 1.00 0.00 H new ATOM 420 N PRO A 30 -9.069 -9.047 0.310 1.00 0.00 N ATOM 421 CA PRO A 30 -8.514 -9.779 -0.827 1.00 0.00 C ATOM 422 C PRO A 30 -7.930 -11.133 -0.434 1.00 0.00 C ATOM 423 O PRO A 30 -7.804 -11.447 0.750 1.00 0.00 O ATOM 424 CB PRO A 30 -7.411 -8.845 -1.314 1.00 0.00 C ATOM 425 CG PRO A 30 -6.919 -8.171 -0.075 1.00 0.00 C ATOM 426 CD PRO A 30 -8.092 -8.095 0.874 1.00 0.00 C ATOM 0 HA PRO A 30 -9.272 -10.015 -1.574 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.613 -9.398 -1.809 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.793 -8.122 -2.035 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.097 -8.732 0.370 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.539 -7.175 -0.301 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.804 -8.372 1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.501 -7.086 0.924 1.00 0.00 H new ATOM 434 N LYS A 31 -7.559 -11.918 -1.441 1.00 0.00 N ATOM 435 CA LYS A 31 -6.876 -13.188 -1.217 1.00 0.00 C ATOM 436 C LYS A 31 -5.544 -12.964 -0.501 1.00 0.00 C ATOM 437 O LYS A 31 -5.047 -11.840 -0.454 1.00 0.00 O ATOM 438 CB LYS A 31 -6.645 -13.899 -2.553 1.00 0.00 C ATOM 439 CG LYS A 31 -5.838 -13.081 -3.548 1.00 0.00 C ATOM 440 CD LYS A 31 -5.635 -13.825 -4.859 1.00 0.00 C ATOM 441 CE LYS A 31 -6.888 -13.805 -5.723 1.00 0.00 C ATOM 442 NZ LYS A 31 -8.000 -14.593 -5.120 1.00 0.00 N ATOM 0 H LYS A 31 -7.721 -11.696 -2.423 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.505 -13.815 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.130 -14.842 -2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.610 -14.144 -2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.348 -12.137 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.868 -12.836 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.808 -13.374 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.354 -14.857 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.212 -12.774 -5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.654 -14.206 -6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.560 -15.038 -5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.607 -15.330 -4.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.610 -13.962 -4.563 1.00 0.00 H new ATOM 456 N PRO A 32 -4.954 -14.032 0.075 1.00 0.00 N ATOM 457 CA PRO A 32 -3.687 -13.935 0.816 1.00 0.00 C ATOM 458 C PRO A 32 -2.540 -13.417 -0.047 1.00 0.00 C ATOM 459 O PRO A 32 -1.711 -14.192 -0.526 1.00 0.00 O ATOM 460 CB PRO A 32 -3.412 -15.376 1.264 1.00 0.00 C ATOM 461 CG PRO A 32 -4.252 -16.228 0.375 1.00 0.00 C ATOM 462 CD PRO A 32 -5.470 -15.411 0.057 1.00 0.00 C ATOM 0 HA PRO A 32 -3.761 -13.227 1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.355 -15.625 1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.676 -15.520 2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.713 -16.496 -0.534 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.525 -17.160 0.870 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.890 -15.673 -0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.259 -15.557 0.795 1.00 0.00 H new ATOM 470 N LEU A 33 -2.492 -12.099 -0.228 1.00 0.00 N ATOM 471 CA LEU A 33 -1.425 -11.460 -0.991 1.00 0.00 C ATOM 472 C LEU A 33 -1.187 -10.038 -0.493 1.00 0.00 C ATOM 473 O LEU A 33 -0.223 -9.385 -0.888 1.00 0.00 O ATOM 474 CB LEU A 33 -1.770 -11.434 -2.483 1.00 0.00 C ATOM 475 CG LEU A 33 -1.782 -12.799 -3.176 1.00 0.00 C ATOM 476 CD1 LEU A 33 -2.315 -12.670 -4.595 1.00 0.00 C ATOM 477 CD2 LEU A 33 -0.388 -13.408 -3.181 1.00 0.00 C ATOM 0 H LEU A 33 -3.185 -11.450 0.146 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.514 -12.042 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.751 -10.975 -2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.052 -10.792 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.443 -13.463 -2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.317 -13.649 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.332 -12.278 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.679 -11.990 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.416 -14.378 -3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.296 -12.747 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.043 -13.536 -2.155 1.00 0.00 H new ATOM 489 N LEU A 34 -2.073 -9.568 0.378 1.00 0.00 N ATOM 490 CA LEU A 34 -1.973 -8.230 0.935 1.00 0.00 C ATOM 491 C LEU A 34 -2.126 -8.316 2.437 1.00 0.00 C ATOM 492 O LEU A 34 -2.090 -7.313 3.143 1.00 0.00 O ATOM 493 CB LEU A 34 -3.049 -7.307 0.351 1.00 0.00 C ATOM 494 CG LEU A 34 -2.696 -6.653 -0.988 1.00 0.00 C ATOM 495 CD1 LEU A 34 -1.358 -5.935 -0.892 1.00 0.00 C ATOM 496 CD2 LEU A 34 -2.671 -7.688 -2.102 1.00 0.00 C ATOM 0 H LEU A 34 -2.875 -10.102 0.714 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.000 -7.810 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.967 -7.881 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.262 -6.521 1.075 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.465 -5.918 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.122 -5.476 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.413 -5.163 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.579 -6.651 -0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.418 -7.202 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.925 -8.449 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.652 -8.155 -2.186 1.00 0.00 H new ATOM 508 N LEU A 35 -2.286 -9.543 2.910 1.00 0.00 N ATOM 509 CA LEU A 35 -2.285 -9.827 4.319 1.00 0.00 C ATOM 510 C LEU A 35 -1.298 -10.950 4.595 1.00 0.00 C ATOM 511 O LEU A 35 -1.001 -11.753 3.708 1.00 0.00 O ATOM 512 CB LEU A 35 -3.680 -10.226 4.825 1.00 0.00 C ATOM 513 CG LEU A 35 -4.812 -10.241 3.791 1.00 0.00 C ATOM 514 CD1 LEU A 35 -5.044 -8.849 3.236 1.00 0.00 C ATOM 515 CD2 LEU A 35 -4.517 -11.232 2.677 1.00 0.00 C ATOM 0 H LEU A 35 -2.420 -10.364 2.319 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.992 -8.921 4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.610 -11.220 5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.960 -9.541 5.625 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.726 -10.564 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.851 -8.879 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.316 -8.174 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.132 -8.492 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.335 -11.224 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.590 -10.952 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.414 -12.232 3.098 1.00 0.00 H new ATOM 527 N LYS A 36 -0.741 -10.951 5.793 1.00 0.00 N ATOM 528 CA LYS A 36 0.515 -11.640 6.068 1.00 0.00 C ATOM 529 C LYS A 36 1.662 -10.983 5.303 1.00 0.00 C ATOM 530 O LYS A 36 2.814 -11.019 5.736 1.00 0.00 O ATOM 531 CB LYS A 36 0.402 -13.117 5.703 1.00 0.00 C ATOM 532 CG LYS A 36 1.637 -13.932 6.052 1.00 0.00 C ATOM 533 CD LYS A 36 1.474 -15.389 5.652 1.00 0.00 C ATOM 534 CE LYS A 36 2.705 -16.206 6.009 1.00 0.00 C ATOM 535 NZ LYS A 36 2.976 -16.190 7.474 1.00 0.00 N ATOM 0 H LYS A 36 -1.142 -10.477 6.602 1.00 0.00 H new ATOM 0 HA LYS A 36 0.726 -11.565 7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.460 -13.543 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.211 -13.204 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.507 -13.510 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.827 -13.867 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.600 -15.809 6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.291 -15.455 4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.567 -17.235 5.676 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.570 -15.812 5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.664 -16.934 7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.362 -15.263 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.091 -16.362 7.993 1.00 0.00 H new ATOM 549 N LEU A 37 1.315 -10.299 4.216 1.00 0.00 N ATOM 550 CA LEU A 37 2.098 -9.192 3.723 1.00 0.00 C ATOM 551 C LEU A 37 1.951 -8.027 4.697 1.00 0.00 C ATOM 552 O LEU A 37 2.807 -7.146 4.776 1.00 0.00 O ATOM 553 CB LEU A 37 1.594 -8.821 2.319 1.00 0.00 C ATOM 554 CG LEU A 37 2.431 -7.807 1.541 1.00 0.00 C ATOM 555 CD1 LEU A 37 2.224 -6.429 2.118 1.00 0.00 C ATOM 556 CD2 LEU A 37 3.904 -8.180 1.552 1.00 0.00 C ATOM 0 H LEU A 37 0.484 -10.503 3.660 1.00 0.00 H new ATOM 0 HA LEU A 37 3.154 -9.452 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.528 -9.734 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.582 -8.428 2.413 1.00 0.00 H new ATOM 0 HG LEU A 37 2.102 -7.812 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.822 -5.708 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.170 -6.159 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.530 -6.423 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.471 -7.438 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.264 -8.209 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.035 -9.160 1.094 1.00 0.00 H new ATOM 568 N LEU A 38 0.857 -8.056 5.458 1.00 0.00 N ATOM 569 CA LEU A 38 0.577 -7.029 6.453 1.00 0.00 C ATOM 570 C LEU A 38 0.326 -7.642 7.828 1.00 0.00 C ATOM 571 O LEU A 38 0.642 -7.039 8.853 1.00 0.00 O ATOM 572 CB LEU A 38 -0.635 -6.199 6.024 1.00 0.00 C ATOM 573 CG LEU A 38 -0.495 -5.515 4.666 1.00 0.00 C ATOM 574 CD1 LEU A 38 -1.646 -4.553 4.427 1.00 0.00 C ATOM 575 CD2 LEU A 38 0.831 -4.792 4.576 1.00 0.00 C ATOM 0 H LEU A 38 0.147 -8.787 5.401 1.00 0.00 H new ATOM 0 HA LEU A 38 1.452 -6.383 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.511 -6.847 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.822 -5.437 6.781 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.526 -6.280 3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.526 -4.077 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.588 -5.100 4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.651 -3.791 5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.917 -4.309 3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.888 -4.038 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.644 -5.507 4.699 1.00 0.00 H new ATOM 587 N LYS A 39 -0.249 -8.841 7.847 1.00 0.00 N ATOM 588 CA LYS A 39 -0.552 -9.516 9.106 1.00 0.00 C ATOM 589 C LYS A 39 0.724 -10.022 9.768 1.00 0.00 C ATOM 590 O LYS A 39 0.685 -10.591 10.860 1.00 0.00 O ATOM 591 CB LYS A 39 -1.521 -10.680 8.873 1.00 0.00 C ATOM 592 CG LYS A 39 -2.803 -10.268 8.168 1.00 0.00 C ATOM 593 CD LYS A 39 -3.798 -11.415 8.055 1.00 0.00 C ATOM 594 CE LYS A 39 -3.306 -12.511 7.120 1.00 0.00 C ATOM 595 NZ LYS A 39 -2.200 -13.311 7.717 1.00 0.00 N ATOM 0 H LYS A 39 -0.513 -9.363 7.011 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.025 -8.794 9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.020 -11.447 8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.772 -11.131 9.833 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.264 -9.443 8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.563 -9.899 7.171 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.978 -11.837 9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.752 -11.032 7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.136 -13.172 6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.964 -12.063 6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.191 -14.261 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.291 -12.840 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.345 -13.391 8.744 1.00 0.00 H new ATOM 609 N SER A 40 1.855 -9.801 9.107 1.00 0.00 N ATOM 610 CA SER A 40 3.152 -10.181 9.657 1.00 0.00 C ATOM 611 C SER A 40 3.858 -8.980 10.279 1.00 0.00 C ATOM 612 O SER A 40 4.660 -9.131 11.201 1.00 0.00 O ATOM 613 CB SER A 40 4.030 -10.796 8.566 1.00 0.00 C ATOM 614 OG SER A 40 5.298 -11.166 9.081 1.00 0.00 O ATOM 0 H SER A 40 1.900 -9.360 8.188 1.00 0.00 H new ATOM 0 HA SER A 40 2.982 -10.921 10.439 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.535 -11.672 8.146 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.158 -10.082 7.752 1.00 0.00 H new ATOM 0 HG SER A 40 5.840 -11.558 8.365 1.00 0.00 H new ATOM 620 N VAL A 41 3.564 -7.789 9.763 1.00 0.00 N ATOM 621 CA VAL A 41 4.212 -6.572 10.235 1.00 0.00 C ATOM 622 C VAL A 41 3.468 -5.973 11.427 1.00 0.00 C ATOM 623 O VAL A 41 4.083 -5.384 12.317 1.00 0.00 O ATOM 624 CB VAL A 41 4.319 -5.523 9.109 1.00 0.00 C ATOM 625 CG1 VAL A 41 2.998 -5.378 8.372 1.00 0.00 C ATOM 626 CG2 VAL A 41 4.769 -4.182 9.663 1.00 0.00 C ATOM 0 H VAL A 41 2.882 -7.643 9.019 1.00 0.00 H new ATOM 0 HA VAL A 41 5.217 -6.848 10.554 1.00 0.00 H new ATOM 0 HB VAL A 41 5.068 -5.871 8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.101 -4.632 7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.720 -6.336 7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.224 -5.062 9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.838 -3.458 8.851 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.047 -3.833 10.401 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.746 -4.292 10.134 1.00 0.00 H new ATOM 636 N GLY A 42 2.147 -6.129 11.446 1.00 0.00 N ATOM 637 CA GLY A 42 1.362 -5.611 12.553 1.00 0.00 C ATOM 638 C GLY A 42 -0.123 -5.889 12.409 1.00 0.00 C ATOM 639 O GLY A 42 -0.842 -5.966 13.404 1.00 0.00 O ATOM 0 H GLY A 42 1.609 -6.602 10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.720 -6.053 13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.519 -4.535 12.630 1.00 0.00 H new ATOM 643 N ALA A 43 -0.583 -6.022 11.171 1.00 0.00 N ATOM 644 CA ALA A 43 -2.009 -6.185 10.901 1.00 0.00 C ATOM 645 C ALA A 43 -2.516 -7.523 11.426 1.00 0.00 C ATOM 646 O ALA A 43 -1.735 -8.446 11.656 1.00 0.00 O ATOM 647 CB ALA A 43 -2.277 -6.057 9.409 1.00 0.00 C ATOM 0 H ALA A 43 0.007 -6.020 10.339 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.550 -5.396 11.423 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.343 -6.180 9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.958 -5.073 9.065 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.722 -6.826 8.872 1.00 0.00 H new ATOM 653 N GLN A 44 -3.828 -7.622 11.621 1.00 0.00 N ATOM 654 CA GLN A 44 -4.433 -8.845 12.138 1.00 0.00 C ATOM 655 C GLN A 44 -5.945 -8.844 11.920 1.00 0.00 C ATOM 656 O GLN A 44 -6.661 -9.676 12.477 1.00 0.00 O ATOM 657 CB GLN A 44 -4.122 -9.011 13.629 1.00 0.00 C ATOM 658 CG GLN A 44 -4.890 -8.057 14.533 1.00 0.00 C ATOM 659 CD GLN A 44 -4.219 -6.703 14.677 1.00 0.00 C ATOM 660 OE1 GLN A 44 -3.538 -6.231 13.768 1.00 0.00 O ATOM 661 NE2 GLN A 44 -4.412 -6.070 15.828 1.00 0.00 N ATOM 0 H GLN A 44 -4.491 -6.871 11.429 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.005 -9.685 11.591 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.348 -10.036 13.925 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.054 -8.862 13.785 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.895 -7.917 14.134 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.999 -8.509 15.519 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.984 -6.498 16.556 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.988 -5.156 15.985 1.00 0.00 H new ATOM 670 N LYS A 45 -6.424 -7.904 11.112 1.00 0.00 N ATOM 671 CA LYS A 45 -7.854 -7.783 10.845 1.00 0.00 C ATOM 672 C LYS A 45 -8.267 -8.673 9.679 1.00 0.00 C ATOM 673 O LYS A 45 -7.504 -8.871 8.733 1.00 0.00 O ATOM 674 CB LYS A 45 -8.216 -6.328 10.543 1.00 0.00 C ATOM 675 CG LYS A 45 -7.833 -5.360 11.652 1.00 0.00 C ATOM 676 CD LYS A 45 -8.289 -3.942 11.342 1.00 0.00 C ATOM 677 CE LYS A 45 -7.591 -3.383 10.112 1.00 0.00 C ATOM 678 NZ LYS A 45 -8.052 -2.004 9.790 1.00 0.00 N ATOM 0 H LYS A 45 -5.845 -7.216 10.631 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.393 -8.108 11.735 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.722 -6.024 9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.289 -6.259 10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.278 -5.688 12.591 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.752 -5.373 11.789 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.367 -3.933 11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.087 -3.299 12.199 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.514 -3.376 10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.778 -4.037 9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.846 -1.793 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.076 -1.933 9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.556 -1.321 10.398 1.00 0.00 H new ATOM 692 N ASP A 46 -9.485 -9.203 9.751 1.00 0.00 N ATOM 693 CA ASP A 46 -10.017 -10.051 8.690 1.00 0.00 C ATOM 694 C ASP A 46 -10.273 -9.241 7.425 1.00 0.00 C ATOM 695 O ASP A 46 -10.525 -9.801 6.357 1.00 0.00 O ATOM 696 CB ASP A 46 -11.310 -10.728 9.148 1.00 0.00 C ATOM 697 CG ASP A 46 -11.104 -11.607 10.367 1.00 0.00 C ATOM 698 OD1 ASP A 46 -11.233 -11.093 11.498 1.00 0.00 O ATOM 699 OD2 ASP A 46 -10.814 -12.808 10.189 1.00 0.00 O ATOM 0 H ASP A 46 -10.122 -9.060 10.534 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.275 -10.818 8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.055 -9.965 9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.710 -11.331 8.332 1.00 0.00 H new ATOM 704 N THR A 47 -10.201 -7.919 7.551 1.00 0.00 N ATOM 705 CA THR A 47 -10.359 -7.030 6.404 1.00 0.00 C ATOM 706 C THR A 47 -9.285 -5.960 6.398 1.00 0.00 C ATOM 707 O THR A 47 -8.517 -5.829 7.352 1.00 0.00 O ATOM 708 CB THR A 47 -11.732 -6.333 6.408 1.00 0.00 C ATOM 709 OG1 THR A 47 -11.797 -5.386 7.481 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.861 -7.337 6.553 1.00 0.00 C ATOM 0 H THR A 47 -10.034 -7.440 8.436 1.00 0.00 H new ATOM 0 HA THR A 47 -10.274 -7.653 5.514 1.00 0.00 H new ATOM 0 HB THR A 47 -11.848 -5.819 5.454 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.724 -5.304 7.789 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.817 -6.813 6.552 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.832 -8.040 5.720 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.746 -7.881 7.491 1.00 0.00 H new ATOM 718 N TYR A 48 -9.244 -5.183 5.324 1.00 0.00 N ATOM 719 CA TYR A 48 -8.308 -4.079 5.231 1.00 0.00 C ATOM 720 C TYR A 48 -8.938 -2.862 4.587 1.00 0.00 C ATOM 721 O TYR A 48 -9.972 -2.953 3.921 1.00 0.00 O ATOM 722 CB TYR A 48 -7.083 -4.493 4.435 1.00 0.00 C ATOM 723 CG TYR A 48 -6.119 -5.332 5.225 1.00 0.00 C ATOM 724 CD1 TYR A 48 -6.290 -6.705 5.335 1.00 0.00 C ATOM 725 CD2 TYR A 48 -5.031 -4.749 5.853 1.00 0.00 C ATOM 726 CE1 TYR A 48 -5.396 -7.476 6.052 1.00 0.00 C ATOM 727 CE2 TYR A 48 -4.132 -5.514 6.572 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.320 -6.876 6.664 1.00 0.00 C ATOM 729 OH TYR A 48 -3.429 -7.644 7.367 1.00 0.00 O ATOM 0 H TYR A 48 -9.847 -5.299 4.510 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.016 -3.815 6.247 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.402 -5.050 3.554 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.570 -3.600 4.079 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.134 -7.177 4.853 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.883 -3.682 5.780 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.541 -8.543 6.132 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.288 -5.048 7.058 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.828 -8.102 6.743 1.00 0.00 H new ATOM 739 N THR A 49 -8.283 -1.728 4.765 1.00 0.00 N ATOM 740 CA THR A 49 -8.698 -0.505 4.103 1.00 0.00 C ATOM 741 C THR A 49 -7.517 0.177 3.433 1.00 0.00 C ATOM 742 O THR A 49 -6.374 0.011 3.849 1.00 0.00 O ATOM 743 CB THR A 49 -9.361 0.482 5.078 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.757 0.383 6.374 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.855 0.222 5.182 1.00 0.00 C ATOM 0 H THR A 49 -7.462 -1.629 5.362 1.00 0.00 H new ATOM 0 HA THR A 49 -9.431 -0.793 3.350 1.00 0.00 H new ATOM 0 HB THR A 49 -9.212 1.490 4.691 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.187 1.018 6.985 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.301 0.933 5.878 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.314 0.339 4.200 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.023 -0.793 5.543 1.00 0.00 H new ATOM 753 N MET A 50 -7.802 0.924 2.377 1.00 0.00 N ATOM 754 CA MET A 50 -6.761 1.527 1.558 1.00 0.00 C ATOM 755 C MET A 50 -5.859 2.441 2.384 1.00 0.00 C ATOM 756 O MET A 50 -4.759 2.791 1.956 1.00 0.00 O ATOM 757 CB MET A 50 -7.393 2.305 0.406 1.00 0.00 C ATOM 758 CG MET A 50 -7.877 1.415 -0.728 1.00 0.00 C ATOM 759 SD MET A 50 -8.205 2.335 -2.244 1.00 0.00 S ATOM 760 CE MET A 50 -6.560 2.914 -2.649 1.00 0.00 C ATOM 0 H MET A 50 -8.752 1.128 2.066 1.00 0.00 H new ATOM 0 HA MET A 50 -6.140 0.727 1.155 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.233 2.885 0.787 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.665 3.016 0.015 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.128 0.649 -0.928 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.786 0.899 -0.417 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.482 3.064 -3.726 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.370 3.857 -2.136 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.825 2.174 -2.332 1.00 0.00 H new ATOM 770 N LYS A 51 -6.319 2.809 3.577 1.00 0.00 N ATOM 771 CA LYS A 51 -5.513 3.617 4.486 1.00 0.00 C ATOM 772 C LYS A 51 -4.712 2.718 5.417 1.00 0.00 C ATOM 773 O LYS A 51 -3.539 2.971 5.688 1.00 0.00 O ATOM 774 CB LYS A 51 -6.403 4.557 5.301 1.00 0.00 C ATOM 775 CG LYS A 51 -5.629 5.474 6.233 1.00 0.00 C ATOM 776 CD LYS A 51 -6.556 6.408 6.993 1.00 0.00 C ATOM 777 CE LYS A 51 -5.783 7.331 7.920 1.00 0.00 C ATOM 778 NZ LYS A 51 -4.810 8.178 7.177 1.00 0.00 N ATOM 0 H LYS A 51 -7.241 2.562 3.935 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.823 4.218 3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.997 5.165 4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.103 3.962 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.055 4.875 6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.913 6.060 5.657 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.134 7.003 6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.268 5.822 7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.481 7.970 8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.253 6.737 8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.491 8.957 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.992 7.601 6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.267 8.568 6.328 1.00 0.00 H new ATOM 792 N GLU A 52 -5.347 1.642 5.862 1.00 0.00 N ATOM 793 CA GLU A 52 -4.642 0.565 6.537 1.00 0.00 C ATOM 794 C GLU A 52 -3.454 0.111 5.700 1.00 0.00 C ATOM 795 O GLU A 52 -2.303 0.227 6.117 1.00 0.00 O ATOM 796 CB GLU A 52 -5.589 -0.611 6.774 1.00 0.00 C ATOM 797 CG GLU A 52 -5.251 -1.431 8.008 1.00 0.00 C ATOM 798 CD GLU A 52 -5.368 -0.631 9.291 1.00 0.00 C ATOM 799 OE1 GLU A 52 -6.270 0.230 9.373 1.00 0.00 O ATOM 800 OE2 GLU A 52 -4.561 -0.866 10.213 1.00 0.00 O ATOM 0 H GLU A 52 -6.352 1.493 5.766 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.279 0.930 7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.607 -0.233 6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.571 -1.262 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.916 -2.293 8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.236 -1.817 7.916 1.00 0.00 H new ATOM 807 N VAL A 53 -3.751 -0.391 4.506 1.00 0.00 N ATOM 808 CA VAL A 53 -2.723 -0.813 3.566 1.00 0.00 C ATOM 809 C VAL A 53 -1.740 0.316 3.272 1.00 0.00 C ATOM 810 O VAL A 53 -0.553 0.073 3.064 1.00 0.00 O ATOM 811 CB VAL A 53 -3.348 -1.295 2.242 1.00 0.00 C ATOM 812 CG1 VAL A 53 -2.273 -1.812 1.300 1.00 0.00 C ATOM 813 CG2 VAL A 53 -4.394 -2.366 2.505 1.00 0.00 C ATOM 0 H VAL A 53 -4.705 -0.516 4.166 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.185 -1.638 4.033 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.840 -0.447 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.734 -2.148 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.563 -1.013 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.750 -2.646 1.768 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.824 -2.694 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.928 -3.215 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.181 -1.958 3.139 1.00 0.00 H new ATOM 823 N LEU A 54 -2.235 1.553 3.264 1.00 0.00 N ATOM 824 CA LEU A 54 -1.373 2.716 3.061 1.00 0.00 C ATOM 825 C LEU A 54 -0.135 2.638 3.953 1.00 0.00 C ATOM 826 O LEU A 54 0.963 2.335 3.480 1.00 0.00 O ATOM 827 CB LEU A 54 -2.143 4.010 3.339 1.00 0.00 C ATOM 828 CG LEU A 54 -1.306 5.293 3.291 1.00 0.00 C ATOM 829 CD1 LEU A 54 -0.747 5.517 1.895 1.00 0.00 C ATOM 830 CD2 LEU A 54 -2.141 6.486 3.729 1.00 0.00 C ATOM 0 H LEU A 54 -3.222 1.775 3.395 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.048 2.718 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.951 4.096 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.605 3.934 4.323 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.469 5.184 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.156 6.433 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.115 4.674 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.568 5.605 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.533 7.390 3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.997 6.595 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.493 6.329 4.749 1.00 0.00 H new ATOM 842 N PHE A 55 -0.310 2.924 5.240 1.00 0.00 N ATOM 843 CA PHE A 55 0.825 2.992 6.156 1.00 0.00 C ATOM 844 C PHE A 55 1.424 1.610 6.399 1.00 0.00 C ATOM 845 O PHE A 55 2.634 1.475 6.574 1.00 0.00 O ATOM 846 CB PHE A 55 0.417 3.637 7.486 1.00 0.00 C ATOM 847 CG PHE A 55 -0.678 2.911 8.219 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.393 1.801 9.000 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.990 3.345 8.133 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.398 1.139 9.679 1.00 0.00 C ATOM 851 CE2 PHE A 55 -2.999 2.687 8.810 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.702 1.582 9.584 1.00 0.00 C ATOM 0 H PHE A 55 -1.216 3.111 5.669 1.00 0.00 H new ATOM 0 HA PHE A 55 1.587 3.615 5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.293 3.695 8.132 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.093 4.660 7.295 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.625 1.450 9.078 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.228 4.208 7.529 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.163 0.275 10.284 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.018 3.036 8.734 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.489 1.066 10.114 1.00 0.00 H new ATOM 862 N TYR A 56 0.574 0.586 6.419 1.00 0.00 N ATOM 863 CA TYR A 56 1.017 -0.769 6.738 1.00 0.00 C ATOM 864 C TYR A 56 1.959 -1.311 5.673 1.00 0.00 C ATOM 865 O TYR A 56 3.052 -1.779 5.985 1.00 0.00 O ATOM 866 CB TYR A 56 -0.176 -1.708 6.901 1.00 0.00 C ATOM 867 CG TYR A 56 -0.454 -2.090 8.336 1.00 0.00 C ATOM 868 CD1 TYR A 56 0.585 -2.260 9.244 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.755 -2.282 8.783 1.00 0.00 C ATOM 870 CE1 TYR A 56 0.334 -2.611 10.557 1.00 0.00 C ATOM 871 CE2 TYR A 56 -2.014 -2.632 10.093 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.966 -2.796 10.977 1.00 0.00 C ATOM 873 OH TYR A 56 -1.221 -3.144 12.283 1.00 0.00 O ATOM 0 H TYR A 56 -0.423 0.668 6.219 1.00 0.00 H new ATOM 0 HA TYR A 56 1.559 -0.718 7.682 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.062 -1.231 6.482 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.003 -2.613 6.321 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.604 -2.115 8.918 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.577 -2.155 8.094 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.152 -2.740 11.250 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -3.031 -2.777 10.425 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.188 -3.235 12.415 1.00 0.00 H new ATOM 883 N LEU A 57 1.538 -1.248 4.418 1.00 0.00 N ATOM 884 CA LEU A 57 2.388 -1.678 3.320 1.00 0.00 C ATOM 885 C LEU A 57 3.703 -0.916 3.355 1.00 0.00 C ATOM 886 O LEU A 57 4.774 -1.508 3.237 1.00 0.00 O ATOM 887 CB LEU A 57 1.690 -1.453 1.975 1.00 0.00 C ATOM 888 CG LEU A 57 1.804 -2.602 0.964 1.00 0.00 C ATOM 889 CD1 LEU A 57 3.186 -3.243 1.012 1.00 0.00 C ATOM 890 CD2 LEU A 57 0.720 -3.637 1.214 1.00 0.00 C ATOM 0 H LEU A 57 0.619 -0.906 4.137 1.00 0.00 H new ATOM 0 HA LEU A 57 2.586 -2.744 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.633 -1.263 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.101 -0.552 1.520 1.00 0.00 H new ATOM 0 HG LEU A 57 1.665 -2.189 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.237 -4.054 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.942 -2.495 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.369 -3.640 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.814 -4.445 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.826 -4.039 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.260 -3.170 1.111 1.00 0.00 H new ATOM 902 N GLY A 58 3.615 0.395 3.556 1.00 0.00 N ATOM 903 CA GLY A 58 4.807 1.189 3.777 1.00 0.00 C ATOM 904 C GLY A 58 5.719 0.573 4.817 1.00 0.00 C ATOM 905 O GLY A 58 6.936 0.518 4.631 1.00 0.00 O ATOM 0 H GLY A 58 2.741 0.920 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.350 1.296 2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.520 2.191 4.095 1.00 0.00 H new ATOM 909 N GLN A 59 5.130 0.083 5.906 1.00 0.00 N ATOM 910 CA GLN A 59 5.890 -0.632 6.923 1.00 0.00 C ATOM 911 C GLN A 59 6.597 -1.836 6.314 1.00 0.00 C ATOM 912 O GLN A 59 7.825 -1.868 6.228 1.00 0.00 O ATOM 913 CB GLN A 59 4.982 -1.099 8.067 1.00 0.00 C ATOM 914 CG GLN A 59 4.148 0.010 8.690 1.00 0.00 C ATOM 915 CD GLN A 59 4.961 1.249 9.011 1.00 0.00 C ATOM 916 OE1 GLN A 59 5.512 1.378 10.105 1.00 0.00 O ATOM 917 NE2 GLN A 59 5.040 2.170 8.056 1.00 0.00 N ATOM 0 H GLN A 59 4.133 0.169 6.104 1.00 0.00 H new ATOM 0 HA GLN A 59 6.632 0.058 7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.314 -1.875 7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.598 -1.555 8.842 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.341 0.278 8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.684 -0.361 9.604 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.568 2.022 7.164 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.573 3.025 8.215 1.00 0.00 H new ATOM 926 N TYR A 60 5.815 -2.842 5.923 1.00 0.00 N ATOM 927 CA TYR A 60 6.369 -4.148 5.585 1.00 0.00 C ATOM 928 C TYR A 60 7.462 -4.024 4.528 1.00 0.00 C ATOM 929 O TYR A 60 8.430 -4.784 4.530 1.00 0.00 O ATOM 930 CB TYR A 60 5.266 -5.088 5.095 1.00 0.00 C ATOM 931 CG TYR A 60 5.744 -6.497 4.847 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.274 -6.864 3.620 1.00 0.00 C ATOM 933 CD2 TYR A 60 5.668 -7.459 5.844 1.00 0.00 C ATOM 934 CE1 TYR A 60 6.716 -8.152 3.390 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.107 -8.749 5.625 1.00 0.00 C ATOM 936 CZ TYR A 60 6.631 -9.091 4.397 1.00 0.00 C ATOM 937 OH TYR A 60 7.072 -10.375 4.175 1.00 0.00 O ATOM 0 H TYR A 60 4.801 -2.776 5.833 1.00 0.00 H new ATOM 0 HA TYR A 60 6.813 -4.567 6.488 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.463 -5.109 5.832 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.842 -4.689 4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.342 -6.130 2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.258 -7.194 6.808 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.126 -8.422 2.428 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.040 -9.486 6.411 1.00 0.00 H new ATOM 0 HH TYR A 60 6.942 -10.910 4.986 1.00 0.00 H new ATOM 947 N ILE A 61 7.317 -3.042 3.642 1.00 0.00 N ATOM 948 CA ILE A 61 8.372 -2.709 2.693 1.00 0.00 C ATOM 949 C ILE A 61 9.661 -2.358 3.421 1.00 0.00 C ATOM 950 O ILE A 61 10.635 -3.112 3.385 1.00 0.00 O ATOM 951 CB ILE A 61 7.971 -1.517 1.801 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.653 -1.797 1.088 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.064 -1.214 0.787 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.017 -0.551 0.520 1.00 0.00 C ATOM 0 H ILE A 61 6.480 -2.465 3.563 1.00 0.00 H new ATOM 0 HA ILE A 61 8.527 -3.588 2.068 1.00 0.00 H new ATOM 0 HB ILE A 61 7.840 -0.644 2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.826 -2.510 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.960 -2.267 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.762 -0.370 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.988 -0.967 1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.227 -2.087 0.156 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.082 -0.813 0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.815 0.154 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.694 -0.093 -0.201 1.00 0.00 H new ATOM 966 N MET A 62 9.664 -1.200 4.075 1.00 0.00 N ATOM 967 CA MET A 62 10.863 -0.703 4.746 1.00 0.00 C ATOM 968 C MET A 62 10.988 -1.259 6.164 1.00 0.00 C ATOM 969 O MET A 62 11.615 -0.641 7.026 1.00 0.00 O ATOM 970 CB MET A 62 10.853 0.826 4.785 1.00 0.00 C ATOM 971 CG MET A 62 9.708 1.409 5.595 1.00 0.00 C ATOM 972 SD MET A 62 9.728 3.211 5.630 1.00 0.00 S ATOM 973 CE MET A 62 8.279 3.547 6.628 1.00 0.00 C ATOM 0 H MET A 62 8.852 -0.589 4.155 1.00 0.00 H new ATOM 0 HA MET A 62 11.726 -1.045 4.174 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.797 1.176 5.203 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.795 1.206 3.765 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.761 1.068 5.176 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.760 1.029 6.615 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.157 4.624 6.741 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.397 3.131 6.141 1.00 0.00 H new ATOM 0 HE3 MET A 62 8.400 3.091 7.611 1.00 0.00 H new ATOM 983 N THR A 63 10.411 -2.436 6.398 1.00 0.00 N ATOM 984 CA THR A 63 10.565 -3.117 7.683 1.00 0.00 C ATOM 985 C THR A 63 11.408 -4.382 7.545 1.00 0.00 C ATOM 986 O THR A 63 12.386 -4.566 8.269 1.00 0.00 O ATOM 987 CB THR A 63 9.200 -3.487 8.297 1.00 0.00 C ATOM 988 OG1 THR A 63 8.479 -2.299 8.645 1.00 0.00 O ATOM 989 CG2 THR A 63 9.377 -4.354 9.536 1.00 0.00 C ATOM 0 H THR A 63 9.836 -2.936 5.720 1.00 0.00 H new ATOM 0 HA THR A 63 11.074 -2.417 8.346 1.00 0.00 H new ATOM 0 HB THR A 63 8.637 -4.051 7.553 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.427 -1.708 7.865 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.399 -4.601 9.950 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.899 -5.272 9.266 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.959 -3.811 10.280 1.00 0.00 H new ATOM 997 N LYS A 64 11.005 -5.262 6.635 1.00 0.00 N ATOM 998 CA LYS A 64 11.608 -6.588 6.537 1.00 0.00 C ATOM 999 C LYS A 64 12.860 -6.564 5.664 1.00 0.00 C ATOM 1000 O LYS A 64 13.244 -7.581 5.084 1.00 0.00 O ATOM 1001 CB LYS A 64 10.594 -7.585 5.978 1.00 0.00 C ATOM 1002 CG LYS A 64 9.327 -7.691 6.813 1.00 0.00 C ATOM 1003 CD LYS A 64 9.608 -8.272 8.191 1.00 0.00 C ATOM 1004 CE LYS A 64 10.109 -9.704 8.106 1.00 0.00 C ATOM 1005 NZ LYS A 64 9.103 -10.610 7.483 1.00 0.00 N ATOM 0 H LYS A 64 10.265 -5.083 5.956 1.00 0.00 H new ATOM 0 HA LYS A 64 11.903 -6.900 7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.328 -7.290 4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.060 -8.568 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.877 -6.704 6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.601 -8.318 6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.349 -7.657 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.699 -8.240 8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.031 -9.732 7.525 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.351 -10.064 9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.382 -11.599 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.171 -10.441 7.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.053 -10.423 6.461 1.00 0.00 H new ATOM 1019 N ARG A 65 13.500 -5.401 5.591 1.00 0.00 N ATOM 1020 CA ARG A 65 14.764 -5.259 4.874 1.00 0.00 C ATOM 1021 C ARG A 65 14.621 -5.701 3.420 1.00 0.00 C ATOM 1022 O ARG A 65 15.455 -6.441 2.896 1.00 0.00 O ATOM 1023 CB ARG A 65 15.862 -6.070 5.567 1.00 0.00 C ATOM 1024 CG ARG A 65 17.265 -5.742 5.078 1.00 0.00 C ATOM 1025 CD ARG A 65 18.311 -6.609 5.762 1.00 0.00 C ATOM 1026 NE ARG A 65 18.094 -8.029 5.508 1.00 0.00 N ATOM 1027 CZ ARG A 65 18.981 -8.976 5.799 1.00 0.00 C ATOM 1028 NH1 ARG A 65 20.144 -8.652 6.351 1.00 0.00 N ATOM 1029 NH2 ARG A 65 18.707 -10.246 5.538 1.00 0.00 N ATOM 0 H ARG A 65 13.163 -4.540 6.021 1.00 0.00 H new ATOM 0 HA ARG A 65 15.042 -4.205 4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.810 -5.892 6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.671 -7.132 5.410 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.319 -5.888 3.999 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.481 -4.691 5.268 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.303 -6.325 5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.288 -6.425 6.836 1.00 0.00 H new ATOM 0 HE ARG A 65 17.211 -8.312 5.083 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.358 -7.675 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.823 -9.380 6.574 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.815 -10.498 5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.388 -10.971 5.762 1.00 0.00 H new ATOM 1043 N LEU A 66 13.569 -5.225 2.764 1.00 0.00 N ATOM 1044 CA LEU A 66 13.396 -5.447 1.333 1.00 0.00 C ATOM 1045 C LEU A 66 13.804 -4.213 0.537 1.00 0.00 C ATOM 1046 O LEU A 66 14.029 -4.287 -0.669 1.00 0.00 O ATOM 1047 CB LEU A 66 11.946 -5.821 1.016 1.00 0.00 C ATOM 1048 CG LEU A 66 11.648 -7.325 0.983 1.00 0.00 C ATOM 1049 CD1 LEU A 66 12.593 -8.037 0.029 1.00 0.00 C ATOM 1050 CD2 LEU A 66 11.741 -7.928 2.377 1.00 0.00 C ATOM 0 H LEU A 66 12.823 -4.683 3.200 1.00 0.00 H new ATOM 0 HA LEU A 66 14.043 -6.275 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.298 -5.355 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.681 -5.394 0.049 1.00 0.00 H new ATOM 0 HG LEU A 66 10.628 -7.460 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.366 -9.103 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.470 -7.631 -0.975 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.622 -7.888 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.525 -8.995 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.746 -7.779 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.018 -7.442 3.032 1.00 0.00 H new ATOM 1062 N TYR A 67 13.899 -3.076 1.221 1.00 0.00 N ATOM 1063 CA TYR A 67 14.307 -1.831 0.579 1.00 0.00 C ATOM 1064 C TYR A 67 15.793 -1.862 0.234 1.00 0.00 C ATOM 1065 O TYR A 67 16.490 -2.829 0.540 1.00 0.00 O ATOM 1066 CB TYR A 67 14.003 -0.638 1.488 1.00 0.00 C ATOM 1067 CG TYR A 67 14.849 -0.596 2.741 1.00 0.00 C ATOM 1068 CD1 TYR A 67 14.485 -1.312 3.874 1.00 0.00 C ATOM 1069 CD2 TYR A 67 16.010 0.164 2.789 1.00 0.00 C ATOM 1070 CE1 TYR A 67 15.257 -1.273 5.021 1.00 0.00 C ATOM 1071 CE2 TYR A 67 16.786 0.208 3.931 1.00 0.00 C ATOM 1072 CZ TYR A 67 16.405 -0.512 5.043 1.00 0.00 C ATOM 1073 OH TYR A 67 17.176 -0.469 6.183 1.00 0.00 O ATOM 0 H TYR A 67 13.699 -2.992 2.218 1.00 0.00 H new ATOM 0 HA TYR A 67 13.740 -1.723 -0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.156 0.283 0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.951 -0.668 1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 67 13.585 -1.909 3.859 1.00 0.00 H new ATOM 0 HD2 TYR A 67 16.311 0.730 1.920 1.00 0.00 H new ATOM 0 HE1 TYR A 67 14.962 -1.836 5.894 1.00 0.00 H new ATOM 0 HE2 TYR A 67 17.687 0.804 3.952 1.00 0.00 H new ATOM 0 HH TYR A 67 17.951 0.112 6.032 1.00 0.00 H new ATOM 1083 N ASP A 68 16.271 -0.798 -0.404 1.00 0.00 N ATOM 1084 CA ASP A 68 17.675 -0.706 -0.790 1.00 0.00 C ATOM 1085 C ASP A 68 18.580 -0.687 0.443 1.00 0.00 C ATOM 1086 O ASP A 68 18.906 -1.738 0.996 1.00 0.00 O ATOM 1087 CB ASP A 68 17.911 0.541 -1.651 1.00 0.00 C ATOM 1088 CG ASP A 68 19.381 0.788 -1.932 1.00 0.00 C ATOM 1089 OD1 ASP A 68 20.144 -0.197 -2.017 1.00 0.00 O ATOM 1090 OD2 ASP A 68 19.769 1.967 -2.067 1.00 0.00 O ATOM 0 H ASP A 68 15.708 0.012 -0.664 1.00 0.00 H new ATOM 0 HA ASP A 68 17.926 -1.588 -1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.378 0.432 -2.596 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.490 1.411 -1.147 1.00 0.00 H new ATOM 1095 N GLU A 69 18.976 0.513 0.870 1.00 0.00 N ATOM 1096 CA GLU A 69 19.862 0.673 2.021 1.00 0.00 C ATOM 1097 C GLU A 69 20.256 2.135 2.194 1.00 0.00 C ATOM 1098 O GLU A 69 20.485 2.601 3.312 1.00 0.00 O ATOM 1099 CB GLU A 69 21.122 -0.184 1.856 1.00 0.00 C ATOM 1100 CG GLU A 69 22.077 -0.096 3.035 1.00 0.00 C ATOM 1101 CD GLU A 69 21.447 -0.556 4.335 1.00 0.00 C ATOM 1102 OE1 GLU A 69 20.860 0.290 5.043 1.00 0.00 O ATOM 1103 OE2 GLU A 69 21.538 -1.763 4.644 1.00 0.00 O ATOM 0 H GLU A 69 18.695 1.391 0.433 1.00 0.00 H new ATOM 0 HA GLU A 69 19.323 0.343 2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 69 20.828 -1.224 1.714 1.00 0.00 H new ATOM 0 HB3 GLU A 69 21.646 0.125 0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 69 22.959 -0.703 2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.417 0.934 3.145 1.00 0.00 H new ATOM 1110 N LYS A 70 20.330 2.854 1.081 1.00 0.00 N ATOM 1111 CA LYS A 70 20.676 4.271 1.102 1.00 0.00 C ATOM 1112 C LYS A 70 19.554 5.098 0.487 1.00 0.00 C ATOM 1113 O LYS A 70 19.172 6.140 1.018 1.00 0.00 O ATOM 1114 CB LYS A 70 21.986 4.513 0.347 1.00 0.00 C ATOM 1115 CG LYS A 70 21.963 4.019 -1.092 1.00 0.00 C ATOM 1116 CD LYS A 70 23.278 4.299 -1.803 1.00 0.00 C ATOM 1117 CE LYS A 70 23.526 5.792 -1.957 1.00 0.00 C ATOM 1118 NZ LYS A 70 22.459 6.453 -2.755 1.00 0.00 N ATOM 0 H LYS A 70 20.155 2.478 0.149 1.00 0.00 H new ATOM 0 HA LYS A 70 20.810 4.579 2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 70 22.206 5.581 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 70 22.798 4.018 0.879 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.762 2.948 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 70 21.148 4.503 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 70 24.098 3.850 -1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 70 23.268 3.828 -2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.581 6.254 -0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 70 24.491 5.952 -2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 22.875 7.216 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.012 5.755 -3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.743 6.851 -2.115 1.00 0.00 H new ATOM 1132 N GLN A 71 18.996 4.589 -0.604 1.00 0.00 N ATOM 1133 CA GLN A 71 17.717 5.065 -1.102 1.00 0.00 C ATOM 1134 C GLN A 71 16.624 4.046 -0.797 1.00 0.00 C ATOM 1135 O GLN A 71 16.321 3.183 -1.621 1.00 0.00 O ATOM 1136 CB GLN A 71 17.791 5.321 -2.609 1.00 0.00 C ATOM 1137 CG GLN A 71 18.828 6.363 -2.997 1.00 0.00 C ATOM 1138 CD GLN A 71 18.878 6.607 -4.493 1.00 0.00 C ATOM 1139 OE1 GLN A 71 19.625 5.947 -5.217 1.00 0.00 O ATOM 1140 NE2 GLN A 71 18.081 7.559 -4.964 1.00 0.00 N ATOM 0 H GLN A 71 19.413 3.843 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 71 17.477 6.003 -0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 71 18.020 4.385 -3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.812 5.645 -2.963 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.605 7.300 -2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.810 6.039 -2.652 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.478 8.081 -4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.071 7.768 -5.962 1.00 0.00 H new ATOM 1149 N GLN A 72 16.059 4.137 0.405 1.00 0.00 N ATOM 1150 CA GLN A 72 15.102 3.142 0.883 1.00 0.00 C ATOM 1151 C GLN A 72 13.942 2.983 -0.095 1.00 0.00 C ATOM 1152 O GLN A 72 13.194 2.007 -0.032 1.00 0.00 O ATOM 1153 CB GLN A 72 14.568 3.533 2.263 1.00 0.00 C ATOM 1154 CG GLN A 72 15.622 3.516 3.361 1.00 0.00 C ATOM 1155 CD GLN A 72 16.643 4.627 3.216 1.00 0.00 C ATOM 1156 OE1 GLN A 72 17.683 4.450 2.583 1.00 0.00 O ATOM 1157 NE2 GLN A 72 16.351 5.782 3.802 1.00 0.00 N ATOM 0 H GLN A 72 16.248 4.890 1.066 1.00 0.00 H new ATOM 0 HA GLN A 72 15.623 2.188 0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.135 4.532 2.204 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.762 2.852 2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.131 3.605 4.330 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.135 2.554 3.350 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.477 5.886 4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.001 6.566 3.737 1.00 0.00 H new ATOM 1166 N HIS A 73 13.792 3.952 -0.992 1.00 0.00 N ATOM 1167 CA HIS A 73 12.709 3.930 -1.966 1.00 0.00 C ATOM 1168 C HIS A 73 13.089 3.117 -3.201 1.00 0.00 C ATOM 1169 O HIS A 73 12.429 3.206 -4.235 1.00 0.00 O ATOM 1170 CB HIS A 73 12.330 5.358 -2.373 1.00 0.00 C ATOM 1171 CG HIS A 73 13.484 6.169 -2.877 1.00 0.00 C ATOM 1172 ND1 HIS A 73 14.194 7.043 -2.082 1.00 0.00 N ATOM 1173 CD2 HIS A 73 14.047 6.239 -4.106 1.00 0.00 C ATOM 1174 CE1 HIS A 73 15.142 7.618 -2.800 1.00 0.00 C ATOM 1175 NE2 HIS A 73 15.076 7.147 -4.031 1.00 0.00 N ATOM 0 H HIS A 73 14.407 4.762 -1.064 1.00 0.00 H new ATOM 0 HA HIS A 73 11.849 3.452 -1.497 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.563 5.314 -3.147 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.888 5.865 -1.515 1.00 0.00 H new ATOM 0 HD1 HIS A 73 14.015 7.218 -1.093 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.744 5.685 -4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 73 15.851 8.349 -2.441 1.00 0.00 H new ATOM 1184 N ILE A 74 14.125 2.290 -3.076 1.00 0.00 N ATOM 1185 CA ILE A 74 14.395 1.262 -4.075 1.00 0.00 C ATOM 1186 C ILE A 74 14.334 -0.123 -3.445 1.00 0.00 C ATOM 1187 O ILE A 74 15.312 -0.599 -2.869 1.00 0.00 O ATOM 1188 CB ILE A 74 15.771 1.448 -4.743 1.00 0.00 C ATOM 1189 CG1 ILE A 74 16.011 2.918 -5.089 1.00 0.00 C ATOM 1190 CG2 ILE A 74 15.865 0.590 -5.995 1.00 0.00 C ATOM 1191 CD1 ILE A 74 14.980 3.500 -6.032 1.00 0.00 C ATOM 0 H ILE A 74 14.786 2.312 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 74 13.626 1.359 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 74 16.541 1.132 -4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.018 3.502 -4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.999 3.019 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.841 0.729 -6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.736 -0.459 -5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.085 0.884 -6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 74 15.217 4.545 -6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.987 2.942 -6.968 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.992 3.432 -5.577 1.00 0.00 H new ATOM 1203 N VAL A 75 13.162 -0.740 -3.513 1.00 0.00 N ATOM 1204 CA VAL A 75 12.877 -1.926 -2.717 1.00 0.00 C ATOM 1205 C VAL A 75 13.173 -3.201 -3.493 1.00 0.00 C ATOM 1206 O VAL A 75 12.331 -3.685 -4.251 1.00 0.00 O ATOM 1207 CB VAL A 75 11.410 -1.955 -2.261 1.00 0.00 C ATOM 1208 CG1 VAL A 75 11.249 -2.841 -1.039 1.00 0.00 C ATOM 1209 CG2 VAL A 75 10.908 -0.547 -1.992 1.00 0.00 C ATOM 0 H VAL A 75 12.393 -0.439 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 75 13.526 -1.877 -1.843 1.00 0.00 H new ATOM 0 HB VAL A 75 10.804 -2.378 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.204 -2.849 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.564 -3.856 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.864 -2.455 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.867 -0.587 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.513 -0.088 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.983 0.046 -2.903 1.00 0.00 H new ATOM 1219 N TYR A 76 14.363 -3.748 -3.282 1.00 0.00 N ATOM 1220 CA TYR A 76 14.743 -5.015 -3.892 1.00 0.00 C ATOM 1221 C TYR A 76 13.922 -6.167 -3.315 1.00 0.00 C ATOM 1222 O TYR A 76 14.039 -6.493 -2.134 1.00 0.00 O ATOM 1223 CB TYR A 76 16.234 -5.274 -3.680 1.00 0.00 C ATOM 1224 CG TYR A 76 17.096 -4.052 -3.914 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.796 -3.150 -4.929 1.00 0.00 C ATOM 1226 CD2 TYR A 76 18.209 -3.800 -3.121 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.580 -2.034 -5.144 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.996 -2.685 -3.332 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.679 -1.807 -4.344 1.00 0.00 C ATOM 1230 OH TYR A 76 19.462 -0.696 -4.558 1.00 0.00 O ATOM 0 H TYR A 76 15.083 -3.333 -2.691 1.00 0.00 H new ATOM 0 HA TYR A 76 14.540 -4.954 -4.961 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.392 -5.631 -2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.556 -6.070 -4.351 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.936 -3.325 -5.559 1.00 0.00 H new ATOM 0 HD2 TYR A 76 18.463 -4.487 -2.327 1.00 0.00 H new ATOM 0 HE1 TYR A 76 17.333 -1.342 -5.936 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.857 -2.502 -2.706 1.00 0.00 H new ATOM 0 HH TYR A 76 20.117 -0.613 -3.834 1.00 0.00 H new ATOM 1240 N CYS A 77 13.086 -6.769 -4.156 1.00 0.00 N ATOM 1241 CA CYS A 77 12.194 -7.835 -3.712 1.00 0.00 C ATOM 1242 C CYS A 77 12.123 -8.953 -4.749 1.00 0.00 C ATOM 1243 O CYS A 77 11.124 -9.097 -5.455 1.00 0.00 O ATOM 1244 CB CYS A 77 10.792 -7.281 -3.443 1.00 0.00 C ATOM 1245 SG CYS A 77 10.747 -5.945 -2.229 1.00 0.00 S ATOM 0 H CYS A 77 13.008 -6.537 -5.146 1.00 0.00 H new ATOM 0 HA CYS A 77 12.596 -8.247 -2.786 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.370 -6.920 -4.381 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.152 -8.093 -3.097 1.00 0.00 H new ATOM 0 HG CYS A 77 9.541 -5.828 -1.757 1.00 0.00 H new ATOM 1251 N SER A 78 13.189 -9.740 -4.834 1.00 0.00 N ATOM 1252 CA SER A 78 13.246 -10.853 -5.776 1.00 0.00 C ATOM 1253 C SER A 78 12.767 -12.146 -5.125 1.00 0.00 C ATOM 1254 O SER A 78 12.653 -13.179 -5.786 1.00 0.00 O ATOM 1255 CB SER A 78 14.671 -11.030 -6.301 1.00 0.00 C ATOM 1256 OG SER A 78 14.745 -12.099 -7.229 1.00 0.00 O ATOM 0 H SER A 78 14.026 -9.629 -4.262 1.00 0.00 H new ATOM 0 HA SER A 78 12.584 -10.623 -6.610 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.003 -10.108 -6.777 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.348 -11.220 -5.468 1.00 0.00 H new ATOM 0 HG SER A 78 14.054 -12.762 -7.020 1.00 0.00 H new ATOM 1262 N ASN A 79 12.490 -12.084 -3.826 1.00 0.00 N ATOM 1263 CA ASN A 79 12.043 -13.255 -3.082 1.00 0.00 C ATOM 1264 C ASN A 79 11.435 -12.854 -1.738 1.00 0.00 C ATOM 1265 O ASN A 79 12.030 -13.070 -0.682 1.00 0.00 O ATOM 1266 CB ASN A 79 13.207 -14.234 -2.870 1.00 0.00 C ATOM 1267 CG ASN A 79 14.325 -13.663 -2.012 1.00 0.00 C ATOM 1268 OD1 ASN A 79 14.991 -14.397 -1.281 1.00 0.00 O ATOM 1269 ND2 ASN A 79 14.540 -12.355 -2.095 1.00 0.00 N ATOM 0 H ASN A 79 12.568 -11.234 -3.267 1.00 0.00 H new ATOM 0 HA ASN A 79 11.270 -13.751 -3.669 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.828 -15.143 -2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.613 -14.520 -3.840 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.280 -11.924 -1.541 1.00 0.00 H new ATOM 0 HD22 ASN A 79 13.966 -11.782 -2.713 1.00 0.00 H new ATOM 1276 N ASP A 80 10.241 -12.271 -1.789 1.00 0.00 N ATOM 1277 CA ASP A 80 9.555 -11.828 -0.580 1.00 0.00 C ATOM 1278 C ASP A 80 8.041 -11.847 -0.777 1.00 0.00 C ATOM 1279 O ASP A 80 7.551 -12.041 -1.892 1.00 0.00 O ATOM 1280 CB ASP A 80 10.019 -10.422 -0.197 1.00 0.00 C ATOM 1281 CG ASP A 80 9.467 -9.975 1.143 1.00 0.00 C ATOM 1282 OD1 ASP A 80 10.016 -10.399 2.182 1.00 0.00 O ATOM 1283 OD2 ASP A 80 8.490 -9.201 1.152 1.00 0.00 O ATOM 0 H ASP A 80 9.729 -12.095 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 80 9.804 -12.517 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.108 -10.398 -0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.708 -9.717 -0.968 1.00 0.00 H new ATOM 1288 N LEU A 81 7.301 -11.632 0.307 1.00 0.00 N ATOM 1289 CA LEU A 81 5.850 -11.516 0.227 1.00 0.00 C ATOM 1290 C LEU A 81 5.455 -10.378 -0.712 1.00 0.00 C ATOM 1291 O LEU A 81 4.536 -10.516 -1.522 1.00 0.00 O ATOM 1292 CB LEU A 81 5.252 -11.287 1.617 1.00 0.00 C ATOM 1293 CG LEU A 81 5.173 -12.531 2.510 1.00 0.00 C ATOM 1294 CD1 LEU A 81 4.313 -13.604 1.860 1.00 0.00 C ATOM 1295 CD2 LEU A 81 6.565 -13.071 2.812 1.00 0.00 C ATOM 0 H LEU A 81 7.682 -11.535 1.248 1.00 0.00 H new ATOM 0 HA LEU A 81 5.454 -12.450 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.845 -10.529 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.248 -10.880 1.500 1.00 0.00 H new ATOM 0 HG LEU A 81 4.708 -12.242 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.270 -14.478 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.306 -13.218 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.746 -13.886 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.483 -13.953 3.447 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.061 -13.340 1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.148 -12.307 3.326 1.00 0.00 H new ATOM 1307 N LEU A 82 6.181 -9.268 -0.623 1.00 0.00 N ATOM 1308 CA LEU A 82 6.033 -8.186 -1.589 1.00 0.00 C ATOM 1309 C LEU A 82 6.220 -8.714 -3.006 1.00 0.00 C ATOM 1310 O LEU A 82 5.609 -8.218 -3.952 1.00 0.00 O ATOM 1311 CB LEU A 82 7.051 -7.076 -1.315 1.00 0.00 C ATOM 1312 CG LEU A 82 6.468 -5.662 -1.264 1.00 0.00 C ATOM 1313 CD1 LEU A 82 5.698 -5.355 -2.540 1.00 0.00 C ATOM 1314 CD2 LEU A 82 5.572 -5.497 -0.045 1.00 0.00 C ATOM 0 H LEU A 82 6.874 -9.095 0.105 1.00 0.00 H new ATOM 0 HA LEU A 82 5.028 -7.775 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.545 -7.283 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.819 -7.109 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 82 7.292 -4.953 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.291 -4.345 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.368 -5.430 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.883 -6.069 -2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.167 -4.485 -0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.753 -6.215 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.153 -5.672 0.860 1.00 0.00 H new ATOM 1326 N GLY A 83 7.060 -9.736 -3.138 1.00 0.00 N ATOM 1327 CA GLY A 83 7.236 -10.395 -4.419 1.00 0.00 C ATOM 1328 C GLY A 83 5.949 -11.005 -4.933 1.00 0.00 C ATOM 1329 O GLY A 83 5.647 -10.915 -6.123 1.00 0.00 O ATOM 0 H GLY A 83 7.623 -10.120 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.610 -9.675 -5.147 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.992 -11.174 -4.323 1.00 0.00 H new ATOM 1333 N ASP A 84 5.175 -11.607 -4.031 1.00 0.00 N ATOM 1334 CA ASP A 84 3.843 -12.097 -4.378 1.00 0.00 C ATOM 1335 C ASP A 84 3.006 -10.983 -4.999 1.00 0.00 C ATOM 1336 O ASP A 84 2.150 -11.236 -5.845 1.00 0.00 O ATOM 1337 CB ASP A 84 3.130 -12.660 -3.144 1.00 0.00 C ATOM 1338 CG ASP A 84 3.862 -13.844 -2.544 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.728 -13.627 -1.672 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.568 -14.989 -2.947 1.00 0.00 O ATOM 0 H ASP A 84 5.446 -11.766 -3.061 1.00 0.00 H new ATOM 0 HA ASP A 84 3.960 -12.898 -5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.036 -11.876 -2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.119 -12.962 -3.418 1.00 0.00 H new ATOM 1345 N LEU A 85 3.277 -9.748 -4.585 1.00 0.00 N ATOM 1346 CA LEU A 85 2.625 -8.584 -5.176 1.00 0.00 C ATOM 1347 C LEU A 85 3.213 -8.256 -6.543 1.00 0.00 C ATOM 1348 O LEU A 85 2.632 -8.583 -7.577 1.00 0.00 O ATOM 1349 CB LEU A 85 2.761 -7.371 -4.257 1.00 0.00 C ATOM 1350 CG LEU A 85 2.079 -7.511 -2.900 1.00 0.00 C ATOM 1351 CD1 LEU A 85 2.394 -6.315 -2.017 1.00 0.00 C ATOM 1352 CD2 LEU A 85 0.578 -7.667 -3.078 1.00 0.00 C ATOM 0 H LEU A 85 3.942 -9.528 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 85 1.570 -8.826 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.821 -7.173 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.348 -6.500 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 85 2.463 -8.405 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.898 -6.434 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.471 -6.249 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.038 -5.404 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.104 -7.766 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.179 -6.790 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.373 -8.557 -3.673 1.00 0.00 H new ATOM 1364 N PHE A 86 4.355 -7.581 -6.532 1.00 0.00 N ATOM 1365 CA PHE A 86 4.936 -7.034 -7.755 1.00 0.00 C ATOM 1366 C PHE A 86 5.761 -8.085 -8.490 1.00 0.00 C ATOM 1367 O PHE A 86 5.527 -8.360 -9.666 1.00 0.00 O ATOM 1368 CB PHE A 86 5.815 -5.821 -7.434 1.00 0.00 C ATOM 1369 CG PHE A 86 5.066 -4.672 -6.818 1.00 0.00 C ATOM 1370 CD1 PHE A 86 4.410 -4.826 -5.608 1.00 0.00 C ATOM 1371 CD2 PHE A 86 5.020 -3.438 -7.447 1.00 0.00 C ATOM 1372 CE1 PHE A 86 3.722 -3.775 -5.037 1.00 0.00 C ATOM 1373 CE2 PHE A 86 4.333 -2.382 -6.879 1.00 0.00 C ATOM 1374 CZ PHE A 86 3.683 -2.553 -5.673 1.00 0.00 C ATOM 0 H PHE A 86 4.899 -7.398 -5.689 1.00 0.00 H new ATOM 0 HA PHE A 86 4.116 -6.723 -8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.610 -6.130 -6.755 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.295 -5.479 -8.351 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.437 -5.781 -5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.526 -3.300 -8.391 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.215 -3.910 -4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.305 -1.424 -7.378 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.144 -1.729 -5.228 1.00 0.00 H new ATOM 1384 N GLY A 87 6.747 -8.643 -7.796 1.00 0.00 N ATOM 1385 CA GLY A 87 7.707 -9.517 -8.444 1.00 0.00 C ATOM 1386 C GLY A 87 8.875 -8.745 -9.025 1.00 0.00 C ATOM 1387 O GLY A 87 9.831 -9.337 -9.529 1.00 0.00 O ATOM 0 H GLY A 87 6.898 -8.506 -6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.077 -10.247 -7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.211 -10.076 -9.238 1.00 0.00 H new ATOM 1391 N VAL A 88 8.797 -7.420 -8.947 1.00 0.00 N ATOM 1392 CA VAL A 88 9.862 -6.556 -9.443 1.00 0.00 C ATOM 1393 C VAL A 88 11.195 -6.888 -8.779 1.00 0.00 C ATOM 1394 O VAL A 88 11.225 -7.429 -7.673 1.00 0.00 O ATOM 1395 CB VAL A 88 9.545 -5.069 -9.186 1.00 0.00 C ATOM 1396 CG1 VAL A 88 8.215 -4.683 -9.813 1.00 0.00 C ATOM 1397 CG2 VAL A 88 9.542 -4.773 -7.694 1.00 0.00 C ATOM 0 H VAL A 88 8.004 -6.920 -8.544 1.00 0.00 H new ATOM 0 HA VAL A 88 9.933 -6.732 -10.516 1.00 0.00 H new ATOM 0 HB VAL A 88 10.326 -4.469 -9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.013 -3.630 -9.618 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.257 -4.852 -10.889 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.419 -5.291 -9.382 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.316 -3.719 -7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.785 -5.385 -7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.522 -5.002 -7.276 1.00 0.00 H new ATOM 1407 N PRO A 89 12.314 -6.523 -9.424 1.00 0.00 N ATOM 1408 CA PRO A 89 13.624 -6.507 -8.771 1.00 0.00 C ATOM 1409 C PRO A 89 13.736 -5.375 -7.758 1.00 0.00 C ATOM 1410 O PRO A 89 14.434 -5.494 -6.754 1.00 0.00 O ATOM 1411 CB PRO A 89 14.596 -6.290 -9.931 1.00 0.00 C ATOM 1412 CG PRO A 89 13.801 -5.557 -10.955 1.00 0.00 C ATOM 1413 CD PRO A 89 12.387 -6.056 -10.824 1.00 0.00 C ATOM 0 HA PRO A 89 13.818 -7.420 -8.207 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.466 -5.713 -9.617 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.966 -7.238 -10.321 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.851 -4.481 -10.790 1.00 0.00 H new ATOM 0 HG3 PRO A 89 14.189 -5.744 -11.956 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.663 -5.266 -11.022 1.00 0.00 H new ATOM 0 HD3 PRO A 89 12.179 -6.862 -11.527 1.00 0.00 H new ATOM 1421 N SER A 90 13.026 -4.282 -8.029 1.00 0.00 N ATOM 1422 CA SER A 90 12.980 -3.141 -7.119 1.00 0.00 C ATOM 1423 C SER A 90 11.808 -2.229 -7.470 1.00 0.00 C ATOM 1424 O SER A 90 11.510 -2.020 -8.646 1.00 0.00 O ATOM 1425 CB SER A 90 14.287 -2.352 -7.187 1.00 0.00 C ATOM 1426 OG SER A 90 14.577 -1.956 -8.516 1.00 0.00 O ATOM 0 H SER A 90 12.472 -4.163 -8.877 1.00 0.00 H new ATOM 0 HA SER A 90 12.846 -3.517 -6.105 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.217 -1.471 -6.549 1.00 0.00 H new ATOM 0 HB3 SER A 90 15.104 -2.961 -6.800 1.00 0.00 H new ATOM 0 HG SER A 90 15.417 -1.452 -8.531 1.00 0.00 H new ATOM 1432 N PHE A 91 11.147 -1.674 -6.453 1.00 0.00 N ATOM 1433 CA PHE A 91 10.053 -0.737 -6.695 1.00 0.00 C ATOM 1434 C PHE A 91 10.211 0.532 -5.864 1.00 0.00 C ATOM 1435 O PHE A 91 10.897 0.535 -4.842 1.00 0.00 O ATOM 1436 CB PHE A 91 8.694 -1.393 -6.413 1.00 0.00 C ATOM 1437 CG PHE A 91 8.439 -1.729 -4.968 1.00 0.00 C ATOM 1438 CD1 PHE A 91 7.906 -0.785 -4.104 1.00 0.00 C ATOM 1439 CD2 PHE A 91 8.709 -2.998 -4.480 1.00 0.00 C ATOM 1440 CE1 PHE A 91 7.649 -1.095 -2.785 1.00 0.00 C ATOM 1441 CE2 PHE A 91 8.457 -3.315 -3.158 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.926 -2.362 -2.310 1.00 0.00 C ATOM 0 H PHE A 91 11.347 -1.854 -5.469 1.00 0.00 H new ATOM 0 HA PHE A 91 10.091 -0.458 -7.748 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.906 -0.725 -6.760 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.619 -2.307 -7.002 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.689 0.208 -4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 91 9.121 -3.747 -5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.232 -0.349 -2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 91 8.675 -4.306 -2.789 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.728 -2.608 -1.277 1.00 0.00 H new ATOM 1452 N SER A 92 9.588 1.614 -6.322 1.00 0.00 N ATOM 1453 CA SER A 92 9.741 2.917 -5.683 1.00 0.00 C ATOM 1454 C SER A 92 8.549 3.230 -4.787 1.00 0.00 C ATOM 1455 O SER A 92 7.505 3.675 -5.263 1.00 0.00 O ATOM 1456 CB SER A 92 9.899 4.011 -6.739 1.00 0.00 C ATOM 1457 OG SER A 92 10.075 5.281 -6.135 1.00 0.00 O ATOM 0 H SER A 92 8.972 1.614 -7.135 1.00 0.00 H new ATOM 0 HA SER A 92 10.638 2.885 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.755 3.786 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.019 4.030 -7.382 1.00 0.00 H new ATOM 0 HG SER A 92 10.175 5.963 -6.831 1.00 0.00 H new ATOM 1463 N VAL A 93 8.715 3.009 -3.488 1.00 0.00 N ATOM 1464 CA VAL A 93 7.673 3.329 -2.522 1.00 0.00 C ATOM 1465 C VAL A 93 7.511 4.839 -2.378 1.00 0.00 C ATOM 1466 O VAL A 93 6.499 5.319 -1.866 1.00 0.00 O ATOM 1467 CB VAL A 93 7.983 2.718 -1.142 1.00 0.00 C ATOM 1468 CG1 VAL A 93 9.169 3.420 -0.503 1.00 0.00 C ATOM 1469 CG2 VAL A 93 6.762 2.784 -0.238 1.00 0.00 C ATOM 0 H VAL A 93 9.561 2.610 -3.081 1.00 0.00 H new ATOM 0 HA VAL A 93 6.743 2.901 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 93 8.243 1.669 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.373 2.975 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.045 3.311 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.941 4.479 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 93 7.003 2.347 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.465 3.824 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.942 2.228 -0.693 1.00 0.00 H new ATOM 1479 N LYS A 94 8.516 5.583 -2.838 1.00 0.00 N ATOM 1480 CA LYS A 94 8.471 7.040 -2.802 1.00 0.00 C ATOM 1481 C LYS A 94 7.183 7.549 -3.441 1.00 0.00 C ATOM 1482 O LYS A 94 6.467 8.362 -2.858 1.00 0.00 O ATOM 1483 CB LYS A 94 9.688 7.625 -3.525 1.00 0.00 C ATOM 1484 CG LYS A 94 9.953 9.091 -3.207 1.00 0.00 C ATOM 1485 CD LYS A 94 8.999 10.014 -3.951 1.00 0.00 C ATOM 1486 CE LYS A 94 9.276 11.474 -3.636 1.00 0.00 C ATOM 1487 NZ LYS A 94 9.127 11.769 -2.184 1.00 0.00 N ATOM 0 H LYS A 94 9.371 5.198 -3.240 1.00 0.00 H new ATOM 0 HA LYS A 94 8.493 7.362 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.570 7.041 -3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.545 7.517 -4.600 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.853 9.254 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.980 9.340 -3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.094 9.848 -5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.971 9.771 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.286 11.729 -3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.593 12.104 -4.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.105 12.799 -2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.241 11.352 -1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.930 11.363 -1.663 1.00 0.00 H new ATOM 1501 N GLU A 95 6.879 7.035 -4.630 1.00 0.00 N ATOM 1502 CA GLU A 95 5.586 7.276 -5.255 1.00 0.00 C ATOM 1503 C GLU A 95 4.512 6.404 -4.616 1.00 0.00 C ATOM 1504 O GLU A 95 4.814 5.359 -4.039 1.00 0.00 O ATOM 1505 CB GLU A 95 5.664 7.004 -6.760 1.00 0.00 C ATOM 1506 CG GLU A 95 6.173 5.613 -7.105 1.00 0.00 C ATOM 1507 CD GLU A 95 6.239 5.371 -8.601 1.00 0.00 C ATOM 1508 OE1 GLU A 95 7.291 5.670 -9.204 1.00 0.00 O ATOM 1509 OE2 GLU A 95 5.239 4.883 -9.167 1.00 0.00 O ATOM 0 H GLU A 95 7.511 6.450 -5.177 1.00 0.00 H new ATOM 0 HA GLU A 95 5.319 8.322 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.674 7.137 -7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.318 7.745 -7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.165 5.476 -6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 95 5.521 4.868 -6.648 1.00 0.00 H new ATOM 1516 N HIS A 96 3.262 6.845 -4.705 1.00 0.00 N ATOM 1517 CA HIS A 96 2.158 6.148 -4.054 1.00 0.00 C ATOM 1518 C HIS A 96 0.947 6.058 -4.972 1.00 0.00 C ATOM 1519 O HIS A 96 0.140 5.135 -4.860 1.00 0.00 O ATOM 1520 CB HIS A 96 1.777 6.849 -2.746 1.00 0.00 C ATOM 1521 CG HIS A 96 2.146 8.300 -2.710 1.00 0.00 C ATOM 1522 ND1 HIS A 96 1.234 9.316 -2.906 1.00 0.00 N ATOM 1523 CD2 HIS A 96 3.338 8.903 -2.492 1.00 0.00 C ATOM 1524 CE1 HIS A 96 1.851 10.482 -2.812 1.00 0.00 C ATOM 1525 NE2 HIS A 96 3.128 10.258 -2.560 1.00 0.00 N ATOM 0 H HIS A 96 2.988 7.681 -5.221 1.00 0.00 H new ATOM 0 HA HIS A 96 2.490 5.135 -3.828 1.00 0.00 H new ATOM 0 HB2 HIS A 96 0.702 6.753 -2.592 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.265 6.339 -1.915 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.279 8.410 -2.300 1.00 0.00 H new ATOM 0 HE1 HIS A 96 1.389 11.452 -2.922 1.00 0.00 H new ATOM 0 HE2 HIS A 96 3.842 10.975 -2.436 1.00 0.00 H new ATOM 1534 N ARG A 97 0.836 7.005 -5.897 1.00 0.00 N ATOM 1535 CA ARG A 97 -0.212 6.956 -6.907 1.00 0.00 C ATOM 1536 C ARG A 97 -0.097 5.685 -7.743 1.00 0.00 C ATOM 1537 O ARG A 97 -1.004 4.851 -7.752 1.00 0.00 O ATOM 1538 CB ARG A 97 -0.148 8.191 -7.806 1.00 0.00 C ATOM 1539 CG ARG A 97 1.259 8.554 -8.236 1.00 0.00 C ATOM 1540 CD ARG A 97 1.273 9.790 -9.121 1.00 0.00 C ATOM 1541 NE ARG A 97 2.627 10.149 -9.537 1.00 0.00 N ATOM 1542 CZ ARG A 97 2.914 11.224 -10.266 1.00 0.00 C ATOM 1543 NH1 ARG A 97 1.946 12.042 -10.656 1.00 0.00 N ATOM 1544 NH2 ARG A 97 4.170 11.480 -10.606 1.00 0.00 N ATOM 0 H ARG A 97 1.456 7.812 -5.968 1.00 0.00 H new ATOM 0 HA ARG A 97 -1.176 6.946 -6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.757 8.017 -8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.588 9.037 -7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.875 8.730 -7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.703 7.716 -8.773 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.658 9.612 -10.003 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.825 10.626 -8.584 1.00 0.00 H new ATOM 0 HE ARG A 97 3.395 9.541 -9.252 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.979 11.848 -10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 97 2.169 12.866 -11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.917 10.852 -10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.389 12.305 -11.165 1.00 0.00 H new ATOM 1558 N LYS A 98 1.022 5.542 -8.444 1.00 0.00 N ATOM 1559 CA LYS A 98 1.225 4.404 -9.331 1.00 0.00 C ATOM 1560 C LYS A 98 1.592 3.152 -8.542 1.00 0.00 C ATOM 1561 O LYS A 98 1.190 2.046 -8.897 1.00 0.00 O ATOM 1562 CB LYS A 98 2.319 4.718 -10.354 1.00 0.00 C ATOM 1563 CG LYS A 98 2.518 3.624 -11.394 1.00 0.00 C ATOM 1564 CD LYS A 98 1.285 3.453 -12.266 1.00 0.00 C ATOM 1565 CE LYS A 98 1.500 2.391 -13.333 1.00 0.00 C ATOM 1566 NZ LYS A 98 1.809 1.061 -12.740 1.00 0.00 N ATOM 0 H LYS A 98 1.801 6.199 -8.415 1.00 0.00 H new ATOM 0 HA LYS A 98 0.289 4.215 -9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.072 5.650 -10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.259 4.882 -9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.377 3.867 -12.020 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.745 2.682 -10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.433 3.178 -11.644 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.039 4.403 -12.741 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.607 2.313 -13.953 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.317 2.695 -13.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.765 0.332 -13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.764 1.078 -12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.115 0.842 -11.997 1.00 0.00 H new ATOM 1580 N ILE A 99 2.377 3.333 -7.485 1.00 0.00 N ATOM 1581 CA ILE A 99 2.928 2.203 -6.746 1.00 0.00 C ATOM 1582 C ILE A 99 1.831 1.434 -6.014 1.00 0.00 C ATOM 1583 O ILE A 99 1.938 0.223 -5.808 1.00 0.00 O ATOM 1584 CB ILE A 99 4.034 2.655 -5.755 1.00 0.00 C ATOM 1585 CG1 ILE A 99 5.240 1.719 -5.859 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.525 2.703 -4.319 1.00 0.00 C ATOM 1587 CD1 ILE A 99 5.036 0.390 -5.170 1.00 0.00 C ATOM 0 H ILE A 99 2.645 4.248 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 99 3.385 1.533 -7.474 1.00 0.00 H new ATOM 0 HB ILE A 99 4.334 3.667 -6.029 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.463 1.543 -6.911 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.111 2.213 -5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.330 3.024 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.696 3.408 -4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.184 1.712 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.931 -0.221 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 99 4.844 0.555 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.186 -0.125 -5.617 1.00 0.00 H new ATOM 1599 N TYR A 100 0.763 2.135 -5.652 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.385 1.492 -5.030 1.00 0.00 C ATOM 1601 C TYR A 100 -1.385 1.020 -6.078 1.00 0.00 C ATOM 1602 O TYR A 100 -2.096 0.036 -5.871 1.00 0.00 O ATOM 1603 CB TYR A 100 -1.057 2.439 -4.039 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.356 2.479 -2.703 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.932 1.981 -2.569 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.978 3.003 -1.579 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.582 2.003 -1.358 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.331 3.030 -0.358 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.950 2.528 -0.252 1.00 0.00 C ATOM 1610 OH TYR A 100 1.597 2.551 0.960 1.00 0.00 O ATOM 0 H TYR A 100 0.669 3.143 -5.778 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.027 0.617 -4.488 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.081 3.443 -4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -2.092 2.130 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.433 1.568 -3.432 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.981 3.395 -1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.584 1.610 -1.274 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.826 3.442 0.509 1.00 0.00 H new ATOM 0 HH TYR A 100 0.974 2.286 1.668 1.00 0.00 H new ATOM 1620 N THR A 101 -1.413 1.702 -7.219 1.00 0.00 N ATOM 1621 CA THR A 101 -2.177 1.228 -8.367 1.00 0.00 C ATOM 1622 C THR A 101 -1.679 -0.142 -8.819 1.00 0.00 C ATOM 1623 O THR A 101 -2.455 -0.963 -9.310 1.00 0.00 O ATOM 1624 CB THR A 101 -2.098 2.214 -9.549 1.00 0.00 C ATOM 1625 OG1 THR A 101 -2.655 3.478 -9.170 1.00 0.00 O ATOM 1626 CG2 THR A 101 -2.842 1.674 -10.761 1.00 0.00 C ATOM 0 H THR A 101 -0.918 2.580 -7.373 1.00 0.00 H new ATOM 0 HA THR A 101 -3.217 1.151 -8.049 1.00 0.00 H new ATOM 0 HB THR A 101 -1.048 2.341 -9.814 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.119 3.868 -8.448 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.770 2.389 -11.580 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.399 0.726 -11.067 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.890 1.519 -10.505 1.00 0.00 H new ATOM 1634 N MET A 102 -0.387 -0.391 -8.628 1.00 0.00 N ATOM 1635 CA MET A 102 0.182 -1.707 -8.896 1.00 0.00 C ATOM 1636 C MET A 102 -0.179 -2.681 -7.787 1.00 0.00 C ATOM 1637 O MET A 102 -0.509 -3.837 -8.049 1.00 0.00 O ATOM 1638 CB MET A 102 1.702 -1.623 -9.035 1.00 0.00 C ATOM 1639 CG MET A 102 2.155 -0.588 -10.043 1.00 0.00 C ATOM 1640 SD MET A 102 3.934 -0.623 -10.338 1.00 0.00 S ATOM 1641 CE MET A 102 4.538 0.256 -8.901 1.00 0.00 C ATOM 0 H MET A 102 0.284 0.299 -8.290 1.00 0.00 H new ATOM 0 HA MET A 102 -0.237 -2.068 -9.835 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.136 -1.388 -8.063 1.00 0.00 H new ATOM 0 HB3 MET A 102 2.088 -2.599 -9.329 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.633 -0.754 -10.985 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.870 0.403 -9.691 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.530 -0.112 -8.640 1.00 0.00 H new ATOM 0 HE2 MET A 102 4.593 1.322 -9.123 1.00 0.00 H new ATOM 0 HE3 MET A 102 3.859 0.094 -8.064 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.113 -2.208 -6.545 1.00 0.00 N ATOM 1652 CA ILE A 103 -0.454 -3.045 -5.405 1.00 0.00 C ATOM 1653 C ILE A 103 -1.850 -3.645 -5.562 1.00 0.00 C ATOM 1654 O ILE A 103 -2.058 -4.832 -5.308 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.384 -2.268 -4.073 1.00 0.00 C ATOM 1656 CG1 ILE A 103 1.072 -1.949 -3.721 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.046 -3.063 -2.955 1.00 0.00 C ATOM 1658 CD1 ILE A 103 1.250 -1.330 -2.352 1.00 0.00 C ATOM 0 H ILE A 103 0.171 -1.258 -6.307 1.00 0.00 H new ATOM 0 HA ILE A 103 0.286 -3.845 -5.378 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.925 -1.329 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.658 -2.867 -3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.477 -1.270 -4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.987 -2.500 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.092 -3.242 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.534 -4.018 -2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.308 -1.133 -2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.693 -0.394 -2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.877 -2.016 -1.591 1.00 0.00 H new ATOM 1670 N TYR A 104 -2.802 -2.818 -5.983 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.178 -3.267 -6.165 1.00 0.00 C ATOM 1672 C TYR A 104 -4.410 -3.747 -7.594 1.00 0.00 C ATOM 1673 O TYR A 104 -4.912 -3.002 -8.436 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.156 -2.140 -5.825 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.158 -1.757 -4.362 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -5.983 -2.412 -3.455 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -4.339 -0.741 -3.888 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -5.989 -2.067 -2.118 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -4.340 -0.389 -2.551 1.00 0.00 C ATOM 1680 CZ TYR A 104 -5.166 -1.055 -1.670 1.00 0.00 C ATOM 1681 OH TYR A 104 -5.169 -0.708 -0.340 1.00 0.00 O ATOM 0 H TYR A 104 -2.646 -1.835 -6.204 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.352 -4.104 -5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.906 -1.262 -6.421 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.162 -2.445 -6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.630 -3.204 -3.802 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -3.691 -0.217 -4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -6.635 -2.587 -1.426 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -3.697 0.404 -2.198 1.00 0.00 H new ATOM 0 HH TYR A 104 -5.807 -1.273 0.144 1.00 0.00 H new