USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=27 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 78 SER OG : rot 180:sc= 0.00413 USER MOD Set 1.2: A 79 ASN : amide:sc= 0.00336 X(o=0.0075,f=0) USER MOD Set 2.1: A 63 THR OG1 : rot 160:sc= -2.61! USER MOD Set 2.2: A 64 LYS NZ :NH3+ -165:sc= -0.0376 (180deg=-0.263) USER MOD Set 3.1: A 49 THR OG1 : rot 180:sc= 0.171 USER MOD Set 3.2: A 51 LYS NZ :NH3+ -150:sc= -2.33! (180deg=-4.53!) USER MOD Single : A 26 THR OG1 : rot 32:sc= 0.116 USER MOD Single : A 31 LYS NZ :NH3+ 168:sc= -0.056 (180deg=-0.257) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= -0.154 (180deg=-0.332) USER MOD Single : A 40 SER OG : rot 112:sc= 1.18 USER MOD Single : A 44 GLN : amide:sc= -1.1 K(o=-1.1,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= -0.0146 (180deg=-0.149) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 59:sc= -1.47 USER MOD Single : A 50 MET CE :methyl -130:sc= 0 (180deg=-1.34) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.281 USER MOD Single : A 59 GLN : amide:sc= 0.0908 X(o=0.091,f=-0.083) USER MOD Single : A 60 TYR OH : rot 156:sc= -3.49! USER MOD Single : A 62 MET CE :methyl 178:sc= -0.221 (180deg=-0.228) 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 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 73 HIS : no HD1:sc= -3.66 K(o=-3.7,f=-0.38) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -102:sc= -4.25! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.373 USER MOD Single : A 94 LYS NZ :NH3+ -134:sc= -0.0408 (180deg=-0.307) USER MOD Single : A 96 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.079) USER MOD Single : A 98 LYS NZ :NH3+ -143:sc= -2.51! (180deg=-4.82!) USER MOD Single : A 100 TYR OH : rot 157:sc= 0.62 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 137:sc= -5.97! (180deg=-10.6!) USER MOD Single : A 104 TYR OH : rot -15:sc= -1.9! USER MOD ----------------------------------------------------------------- ATOM 347 N THR A 26 -11.824 2.778 0.536 1.00 0.00 N ATOM 348 CA THR A 26 -12.333 1.454 0.171 1.00 0.00 C ATOM 349 C THR A 26 -12.055 0.452 1.277 1.00 0.00 C ATOM 350 O THR A 26 -10.914 0.295 1.711 1.00 0.00 O ATOM 351 CB THR A 26 -11.721 0.925 -1.142 1.00 0.00 C ATOM 352 OG1 THR A 26 -11.853 1.908 -2.177 1.00 0.00 O ATOM 353 CG2 THR A 26 -12.401 -0.365 -1.573 1.00 0.00 C ATOM 0 HA THR A 26 -13.407 1.569 0.025 1.00 0.00 H new ATOM 0 HB THR A 26 -10.664 0.721 -0.968 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.808 2.805 -1.784 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.953 -0.720 -2.501 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.274 -1.120 -0.797 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.464 -0.181 -1.730 1.00 0.00 H new ATOM 361 N LEU A 27 -13.100 -0.230 1.732 1.00 0.00 N ATOM 362 CA LEU A 27 -12.941 -1.241 2.753 1.00 0.00 C ATOM 363 C LEU A 27 -12.435 -2.524 2.127 1.00 0.00 C ATOM 364 O LEU A 27 -13.204 -3.446 1.849 1.00 0.00 O ATOM 365 CB LEU A 27 -14.253 -1.488 3.493 1.00 0.00 C ATOM 366 CG LEU A 27 -14.098 -1.599 5.008 1.00 0.00 C ATOM 367 CD1 LEU A 27 -12.934 -2.514 5.345 1.00 0.00 C ATOM 368 CD2 LEU A 27 -13.880 -0.223 5.615 1.00 0.00 C ATOM 0 H LEU A 27 -14.058 -0.098 1.408 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.212 -0.886 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.945 -0.676 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.704 -2.406 3.116 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.011 -2.023 5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.831 -2.588 6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.118 -3.505 4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.017 -2.107 4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.771 -0.315 6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.977 0.221 5.196 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.736 0.414 5.390 1.00 0.00 H new ATOM 380 N VAL A 28 -11.142 -2.545 1.852 1.00 0.00 N ATOM 381 CA VAL A 28 -10.568 -3.538 0.968 1.00 0.00 C ATOM 382 C VAL A 28 -10.725 -4.926 1.532 1.00 0.00 C ATOM 383 O VAL A 28 -10.619 -5.135 2.742 1.00 0.00 O ATOM 384 CB VAL A 28 -9.083 -3.264 0.716 1.00 0.00 C ATOM 385 CG1 VAL A 28 -8.393 -4.475 0.112 1.00 0.00 C ATOM 386 CG2 VAL A 28 -8.945 -2.069 -0.186 1.00 0.00 C ATOM 0 H VAL A 28 -10.468 -1.880 2.232 1.00 0.00 H new ATOM 0 HA VAL A 28 -11.108 -3.473 0.024 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.598 -3.056 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.340 -4.248 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.478 -5.320 0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.865 -4.727 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.889 -1.870 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.445 -2.269 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.401 -1.200 0.289 1.00 0.00 H new ATOM 396 N ARG A 29 -10.948 -5.881 0.648 1.00 0.00 N ATOM 397 CA ARG A 29 -10.943 -7.264 1.052 1.00 0.00 C ATOM 398 C ARG A 29 -10.334 -8.151 -0.032 1.00 0.00 C ATOM 399 O ARG A 29 -11.046 -8.682 -0.884 1.00 0.00 O ATOM 400 CB ARG A 29 -12.363 -7.729 1.388 1.00 0.00 C ATOM 401 CG ARG A 29 -13.160 -6.729 2.214 1.00 0.00 C ATOM 402 CD ARG A 29 -14.585 -7.207 2.447 1.00 0.00 C ATOM 403 NE ARG A 29 -14.624 -8.514 3.098 1.00 0.00 N ATOM 404 CZ ARG A 29 -15.736 -9.227 3.254 1.00 0.00 C ATOM 405 NH1 ARG A 29 -16.895 -8.763 2.807 1.00 0.00 N ATOM 406 NH2 ARG A 29 -15.689 -10.407 3.857 1.00 0.00 N ATOM 0 H ARG A 29 -11.132 -5.722 -0.342 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.326 -7.352 1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.899 -7.928 0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.307 -8.672 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.666 -6.573 3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.177 -5.766 1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -15.115 -6.480 3.062 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -15.110 -7.261 1.493 1.00 0.00 H new ATOM 0 HE ARG A 29 -13.750 -8.902 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.936 -7.856 2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.745 -9.313 2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.800 -10.769 4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.542 -10.953 3.976 1.00 0.00 H new ATOM 420 N PRO A 30 -8.999 -8.313 -0.017 1.00 0.00 N ATOM 421 CA PRO A 30 -8.276 -9.067 -1.031 1.00 0.00 C ATOM 422 C PRO A 30 -8.086 -10.531 -0.648 1.00 0.00 C ATOM 423 O PRO A 30 -8.376 -10.932 0.479 1.00 0.00 O ATOM 424 CB PRO A 30 -6.934 -8.348 -1.063 1.00 0.00 C ATOM 425 CG PRO A 30 -6.712 -7.902 0.348 1.00 0.00 C ATOM 426 CD PRO A 30 -8.076 -7.751 0.986 1.00 0.00 C ATOM 0 HA PRO A 30 -8.801 -9.098 -1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.137 -9.011 -1.399 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.954 -7.501 -1.748 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.111 -8.630 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.168 -6.958 0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.137 -8.290 1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.304 -6.707 1.199 1.00 0.00 H new ATOM 434 N LYS A 31 -7.564 -11.317 -1.585 1.00 0.00 N ATOM 435 CA LYS A 31 -7.147 -12.683 -1.294 1.00 0.00 C ATOM 436 C LYS A 31 -5.780 -12.689 -0.612 1.00 0.00 C ATOM 437 O LYS A 31 -5.046 -11.703 -0.687 1.00 0.00 O ATOM 438 CB LYS A 31 -7.095 -13.504 -2.586 1.00 0.00 C ATOM 439 CG LYS A 31 -8.435 -13.609 -3.294 1.00 0.00 C ATOM 440 CD LYS A 31 -8.328 -14.429 -4.570 1.00 0.00 C ATOM 441 CE LYS A 31 -9.671 -14.542 -5.273 1.00 0.00 C ATOM 442 NZ LYS A 31 -10.216 -13.209 -5.650 1.00 0.00 N ATOM 0 H LYS A 31 -7.420 -11.030 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.875 -13.133 -0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.370 -13.054 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.736 -14.507 -2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.166 -14.066 -2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.801 -12.610 -3.532 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.603 -13.968 -5.240 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.955 -15.425 -4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.562 -15.155 -6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.380 -15.053 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.020 -13.333 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.534 -12.710 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.475 -12.651 -6.121 1.00 0.00 H new ATOM 456 N PRO A 32 -5.419 -13.799 0.062 1.00 0.00 N ATOM 457 CA PRO A 32 -4.125 -13.926 0.742 1.00 0.00 C ATOM 458 C PRO A 32 -2.970 -13.397 -0.101 1.00 0.00 C ATOM 459 O PRO A 32 -2.468 -14.086 -0.990 1.00 0.00 O ATOM 460 CB PRO A 32 -3.995 -15.432 0.951 1.00 0.00 C ATOM 461 CG PRO A 32 -5.399 -15.912 1.091 1.00 0.00 C ATOM 462 CD PRO A 32 -6.239 -15.018 0.214 1.00 0.00 C ATOM 0 HA PRO A 32 -4.084 -13.346 1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.495 -15.908 0.107 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.407 -15.660 1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.487 -16.954 0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.727 -15.858 2.129 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.446 -15.483 -0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.202 -14.797 0.674 1.00 0.00 H new ATOM 470 N LEU A 33 -2.567 -12.159 0.173 1.00 0.00 N ATOM 471 CA LEU A 33 -1.571 -11.475 -0.645 1.00 0.00 C ATOM 472 C LEU A 33 -1.170 -10.151 -0.004 1.00 0.00 C ATOM 473 O LEU A 33 0.009 -9.801 0.036 1.00 0.00 O ATOM 474 CB LEU A 33 -2.121 -11.227 -2.051 1.00 0.00 C ATOM 475 CG LEU A 33 -1.073 -10.864 -3.103 1.00 0.00 C ATOM 476 CD1 LEU A 33 -0.209 -12.072 -3.428 1.00 0.00 C ATOM 477 CD2 LEU A 33 -1.741 -10.327 -4.359 1.00 0.00 C ATOM 0 H LEU A 33 -2.916 -11.608 0.957 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.689 -12.111 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.649 -12.122 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.856 -10.423 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.431 -10.082 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.532 -11.798 -4.179 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.298 -12.411 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.837 -12.875 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.979 -10.074 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.406 -11.086 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.317 -9.435 -4.112 1.00 0.00 H new ATOM 489 N LEU A 34 -2.160 -9.428 0.510 1.00 0.00 N ATOM 490 CA LEU A 34 -1.912 -8.185 1.220 1.00 0.00 C ATOM 491 C LEU A 34 -1.976 -8.423 2.719 1.00 0.00 C ATOM 492 O LEU A 34 -1.676 -7.535 3.517 1.00 0.00 O ATOM 493 CB LEU A 34 -2.940 -7.126 0.818 1.00 0.00 C ATOM 494 CG LEU A 34 -3.110 -6.931 -0.689 1.00 0.00 C ATOM 495 CD1 LEU A 34 -4.138 -5.849 -0.974 1.00 0.00 C ATOM 496 CD2 LEU A 34 -1.777 -6.587 -1.332 1.00 0.00 C ATOM 0 H LEU A 34 -3.145 -9.686 0.446 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.918 -7.825 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.905 -7.397 1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.651 -6.173 1.262 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.469 -7.865 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.246 -5.724 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.098 -6.137 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.809 -4.909 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.915 -6.451 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.390 -5.666 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.069 -7.397 -1.157 1.00 0.00 H new ATOM 508 N LEU A 35 -2.386 -9.630 3.093 1.00 0.00 N ATOM 509 CA LEU A 35 -2.566 -9.967 4.494 1.00 0.00 C ATOM 510 C LEU A 35 -1.381 -10.778 4.999 1.00 0.00 C ATOM 511 O LEU A 35 -0.867 -10.533 6.085 1.00 0.00 O ATOM 512 CB LEU A 35 -3.870 -10.744 4.707 1.00 0.00 C ATOM 513 CG LEU A 35 -5.042 -10.336 3.807 1.00 0.00 C ATOM 514 CD1 LEU A 35 -5.101 -8.827 3.628 1.00 0.00 C ATOM 515 CD2 LEU A 35 -4.935 -11.030 2.463 1.00 0.00 C ATOM 0 H LEU A 35 -2.599 -10.388 2.444 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.625 -9.039 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.669 -11.804 4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.176 -10.626 5.746 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.967 -10.648 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.943 -8.570 2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.228 -8.350 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.175 -8.478 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.773 -10.733 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.999 -10.747 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.956 -12.110 2.609 1.00 0.00 H new ATOM 527 N LYS A 36 -0.902 -11.692 4.163 1.00 0.00 N ATOM 528 CA LYS A 36 0.447 -12.216 4.312 1.00 0.00 C ATOM 529 C LYS A 36 1.457 -11.078 4.232 1.00 0.00 C ATOM 530 O LYS A 36 2.636 -11.251 4.540 1.00 0.00 O ATOM 531 CB LYS A 36 0.736 -13.249 3.225 1.00 0.00 C ATOM 532 CG LYS A 36 -0.031 -14.550 3.401 1.00 0.00 C ATOM 533 CD LYS A 36 0.312 -15.556 2.312 1.00 0.00 C ATOM 534 CE LYS A 36 1.766 -15.996 2.394 1.00 0.00 C ATOM 535 NZ LYS A 36 2.108 -16.983 1.334 1.00 0.00 N ATOM 0 H LYS A 36 -1.426 -12.083 3.380 1.00 0.00 H new ATOM 0 HA LYS A 36 0.531 -12.700 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.489 -12.820 2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.804 -13.465 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.197 -14.978 4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.102 -14.347 3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.338 -16.426 2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.119 -15.114 1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.415 -15.125 2.302 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.958 -16.434 3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.107 -17.257 1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.507 -17.825 1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.949 -16.557 0.399 1.00 0.00 H new ATOM 549 N LEU A 37 0.974 -9.913 3.819 1.00 0.00 N ATOM 550 CA LEU A 37 1.798 -8.726 3.707 1.00 0.00 C ATOM 551 C LEU A 37 1.754 -7.934 5.013 1.00 0.00 C ATOM 552 O LEU A 37 2.783 -7.499 5.527 1.00 0.00 O ATOM 553 CB LEU A 37 1.287 -7.867 2.541 1.00 0.00 C ATOM 554 CG LEU A 37 2.288 -6.868 1.961 1.00 0.00 C ATOM 555 CD1 LEU A 37 2.772 -5.928 3.042 1.00 0.00 C ATOM 556 CD2 LEU A 37 3.458 -7.588 1.310 1.00 0.00 C ATOM 0 H LEU A 37 -0.000 -9.769 3.553 1.00 0.00 H new ATOM 0 HA LEU A 37 2.832 -9.013 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.961 -8.531 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.408 -7.318 2.877 1.00 0.00 H new ATOM 0 HG LEU A 37 1.785 -6.283 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.485 -5.221 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.924 -5.383 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.257 -6.501 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.156 -6.855 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.967 -8.202 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.091 -8.224 0.504 1.00 0.00 H new ATOM 568 N LEU A 38 0.547 -7.736 5.528 1.00 0.00 N ATOM 569 CA LEU A 38 0.326 -6.837 6.655 1.00 0.00 C ATOM 570 C LEU A 38 0.291 -7.597 7.978 1.00 0.00 C ATOM 571 O LEU A 38 0.911 -7.184 8.957 1.00 0.00 O ATOM 572 CB LEU A 38 -0.982 -6.073 6.454 1.00 0.00 C ATOM 573 CG LEU A 38 -0.843 -4.691 5.811 1.00 0.00 C ATOM 574 CD1 LEU A 38 -0.068 -4.778 4.506 1.00 0.00 C ATOM 575 CD2 LEU A 38 -2.214 -4.085 5.572 1.00 0.00 C ATOM 0 H LEU A 38 -0.299 -8.189 5.181 1.00 0.00 H new ATOM 0 HA LEU A 38 1.158 -6.134 6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.645 -6.678 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.468 -5.957 7.423 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.288 -4.048 6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.018 -3.784 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.928 -5.177 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.594 -5.436 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.103 -3.102 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.787 -4.732 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.738 -3.985 6.522 1.00 0.00 H new ATOM 587 N LYS A 39 -0.432 -8.712 8.001 1.00 0.00 N ATOM 588 CA LYS A 39 -0.494 -9.557 9.189 1.00 0.00 C ATOM 589 C LYS A 39 0.907 -9.938 9.660 1.00 0.00 C ATOM 590 O LYS A 39 1.109 -10.286 10.823 1.00 0.00 O ATOM 591 CB LYS A 39 -1.309 -10.819 8.904 1.00 0.00 C ATOM 592 CG LYS A 39 -2.783 -10.543 8.655 1.00 0.00 C ATOM 593 CD LYS A 39 -3.466 -11.725 7.989 1.00 0.00 C ATOM 594 CE LYS A 39 -4.978 -11.570 7.990 1.00 0.00 C ATOM 595 NZ LYS A 39 -5.530 -11.514 9.372 1.00 0.00 N ATOM 0 H LYS A 39 -0.982 -9.051 7.212 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.983 -8.990 9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.890 -11.324 8.034 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.213 -11.503 9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.278 -10.321 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.888 -9.659 8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.110 -11.821 6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.193 -12.644 8.508 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.250 -10.661 7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.429 -12.404 7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.567 -11.579 9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.153 -12.308 9.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.255 -10.616 9.819 1.00 0.00 H new ATOM 609 N SER A 40 1.873 -9.855 8.750 1.00 0.00 N ATOM 610 CA SER A 40 3.268 -10.115 9.089 1.00 0.00 C ATOM 611 C SER A 40 3.819 -9.031 10.011 1.00 0.00 C ATOM 612 O SER A 40 4.333 -9.325 11.090 1.00 0.00 O ATOM 613 CB SER A 40 4.117 -10.201 7.819 1.00 0.00 C ATOM 614 OG SER A 40 3.695 -11.273 6.995 1.00 0.00 O ATOM 0 H SER A 40 1.715 -9.610 7.773 1.00 0.00 H new ATOM 0 HA SER A 40 3.314 -11.069 9.614 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.046 -9.264 7.267 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.165 -10.335 8.087 1.00 0.00 H new ATOM 0 HG SER A 40 3.291 -10.917 6.176 1.00 0.00 H new ATOM 620 N VAL A 41 3.712 -7.775 9.579 1.00 0.00 N ATOM 621 CA VAL A 41 4.201 -6.649 10.374 1.00 0.00 C ATOM 622 C VAL A 41 3.556 -6.640 11.756 1.00 0.00 C ATOM 623 O VAL A 41 4.223 -6.395 12.761 1.00 0.00 O ATOM 624 CB VAL A 41 3.931 -5.284 9.698 1.00 0.00 C ATOM 625 CG1 VAL A 41 5.224 -4.500 9.533 1.00 0.00 C ATOM 626 CG2 VAL A 41 3.233 -5.456 8.358 1.00 0.00 C ATOM 0 H VAL A 41 3.293 -7.512 8.687 1.00 0.00 H new ATOM 0 HA VAL A 41 5.279 -6.786 10.460 1.00 0.00 H new ATOM 0 HB VAL A 41 3.265 -4.718 10.349 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.011 -3.543 9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.671 -4.326 10.512 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.918 -5.068 8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.058 -4.478 7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.860 -6.052 7.695 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.279 -5.962 8.507 1.00 0.00 H new ATOM 636 N GLY A 42 2.253 -6.898 11.796 1.00 0.00 N ATOM 637 CA GLY A 42 1.529 -6.864 13.053 1.00 0.00 C ATOM 638 C GLY A 42 0.028 -6.927 12.862 1.00 0.00 C ATOM 639 O GLY A 42 -0.712 -7.230 13.800 1.00 0.00 O ATOM 0 H GLY A 42 1.686 -7.130 10.981 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.848 -7.701 13.675 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.785 -5.951 13.591 1.00 0.00 H new ATOM 643 N ALA A 43 -0.424 -6.632 11.647 1.00 0.00 N ATOM 644 CA ALA A 43 -1.852 -6.609 11.345 1.00 0.00 C ATOM 645 C ALA A 43 -2.519 -7.932 11.711 1.00 0.00 C ATOM 646 O ALA A 43 -1.853 -8.957 11.854 1.00 0.00 O ATOM 647 CB ALA A 43 -2.073 -6.297 9.873 1.00 0.00 C ATOM 0 H ALA A 43 0.178 -6.405 10.855 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.310 -5.825 11.948 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.142 -6.283 9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.644 -5.323 9.639 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.592 -7.061 9.263 1.00 0.00 H new ATOM 653 N GLN A 44 -3.842 -7.898 11.862 1.00 0.00 N ATOM 654 CA GLN A 44 -4.606 -9.090 12.218 1.00 0.00 C ATOM 655 C GLN A 44 -6.105 -8.808 12.164 1.00 0.00 C ATOM 656 O GLN A 44 -6.751 -8.624 13.197 1.00 0.00 O ATOM 657 CB GLN A 44 -4.214 -9.577 13.615 1.00 0.00 C ATOM 658 CG GLN A 44 -4.881 -10.883 14.016 1.00 0.00 C ATOM 659 CD GLN A 44 -4.469 -11.353 15.398 1.00 0.00 C ATOM 660 OE1 GLN A 44 -5.244 -11.999 16.103 1.00 0.00 O ATOM 661 NE2 GLN A 44 -3.241 -11.032 15.794 1.00 0.00 N ATOM 0 H GLN A 44 -4.406 -7.057 11.743 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.374 -9.871 11.494 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.132 -9.704 13.656 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.472 -8.809 14.344 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.963 -10.757 13.988 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.631 -11.653 13.286 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.631 -10.495 15.178 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.909 -11.323 16.714 1.00 0.00 H new ATOM 670 N LYS A 45 -6.652 -8.774 10.953 1.00 0.00 N ATOM 671 CA LYS A 45 -8.075 -8.507 10.761 1.00 0.00 C ATOM 672 C LYS A 45 -8.653 -9.403 9.670 1.00 0.00 C ATOM 673 O LYS A 45 -7.914 -9.987 8.878 1.00 0.00 O ATOM 674 CB LYS A 45 -8.294 -7.038 10.390 1.00 0.00 C ATOM 675 CG LYS A 45 -7.709 -6.058 11.395 1.00 0.00 C ATOM 676 CD LYS A 45 -7.670 -4.641 10.841 1.00 0.00 C ATOM 677 CE LYS A 45 -9.059 -4.135 10.486 1.00 0.00 C ATOM 678 NZ LYS A 45 -9.960 -4.104 11.671 1.00 0.00 N ATOM 0 H LYS A 45 -6.132 -8.928 10.089 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.588 -8.722 11.698 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.850 -6.850 9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.364 -6.852 10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.303 -6.075 12.309 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.700 -6.371 11.665 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.218 -3.976 11.576 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.036 -4.615 9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.983 -3.134 10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.493 -4.775 9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.836 -3.599 11.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.189 -5.077 11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.485 -3.614 12.456 1.00 0.00 H new ATOM 692 N ASP A 46 -9.979 -9.489 9.624 1.00 0.00 N ATOM 693 CA ASP A 46 -10.660 -10.216 8.560 1.00 0.00 C ATOM 694 C ASP A 46 -10.691 -9.390 7.279 1.00 0.00 C ATOM 695 O ASP A 46 -10.784 -9.933 6.178 1.00 0.00 O ATOM 696 CB ASP A 46 -12.085 -10.573 8.987 1.00 0.00 C ATOM 697 CG ASP A 46 -12.117 -11.451 10.222 1.00 0.00 C ATOM 698 OD1 ASP A 46 -12.091 -12.690 10.069 1.00 0.00 O ATOM 699 OD2 ASP A 46 -12.166 -10.900 11.341 1.00 0.00 O ATOM 0 H ASP A 46 -10.602 -9.064 10.311 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.108 -11.136 8.368 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.643 -9.657 9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.589 -11.085 8.168 1.00 0.00 H new ATOM 704 N THR A 47 -10.599 -8.072 7.433 1.00 0.00 N ATOM 705 CA THR A 47 -10.538 -7.166 6.291 1.00 0.00 C ATOM 706 C THR A 47 -9.553 -6.041 6.543 1.00 0.00 C ATOM 707 O THR A 47 -8.923 -5.972 7.599 1.00 0.00 O ATOM 708 CB THR A 47 -11.912 -6.544 5.981 1.00 0.00 C ATOM 709 OG1 THR A 47 -12.379 -5.800 7.112 1.00 0.00 O ATOM 710 CG2 THR A 47 -12.930 -7.608 5.618 1.00 0.00 C ATOM 0 H THR A 47 -10.565 -7.607 8.340 1.00 0.00 H new ATOM 0 HA THR A 47 -10.214 -7.764 5.439 1.00 0.00 H new ATOM 0 HB THR A 47 -11.793 -5.878 5.126 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.252 -5.406 6.906 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.889 -7.136 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.589 -8.152 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.044 -8.302 6.451 1.00 0.00 H new ATOM 718 N TYR A 48 -9.426 -5.157 5.563 1.00 0.00 N ATOM 719 CA TYR A 48 -8.522 -4.025 5.672 1.00 0.00 C ATOM 720 C TYR A 48 -9.057 -2.824 4.919 1.00 0.00 C ATOM 721 O TYR A 48 -10.114 -2.884 4.292 1.00 0.00 O ATOM 722 CB TYR A 48 -7.146 -4.391 5.125 1.00 0.00 C ATOM 723 CG TYR A 48 -6.389 -5.354 5.998 1.00 0.00 C ATOM 724 CD1 TYR A 48 -5.594 -4.883 7.026 1.00 0.00 C ATOM 725 CD2 TYR A 48 -6.464 -6.726 5.794 1.00 0.00 C ATOM 726 CE1 TYR A 48 -4.885 -5.750 7.835 1.00 0.00 C ATOM 727 CE2 TYR A 48 -5.760 -7.604 6.596 1.00 0.00 C ATOM 728 CZ TYR A 48 -4.970 -7.111 7.614 1.00 0.00 C ATOM 729 OH TYR A 48 -4.268 -7.978 8.417 1.00 0.00 O ATOM 0 H TYR A 48 -9.939 -5.204 4.683 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.439 -3.768 6.728 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.263 -4.827 4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.557 -3.481 5.006 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.526 -3.819 7.200 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.082 -7.112 4.997 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.269 -5.366 8.635 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.828 -8.669 6.427 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.545 -7.857 9.349 1.00 0.00 H new ATOM 739 N THR A 49 -8.297 -1.741 4.959 1.00 0.00 N ATOM 740 CA THR A 49 -8.593 -0.579 4.137 1.00 0.00 C ATOM 741 C THR A 49 -7.330 -0.055 3.473 1.00 0.00 C ATOM 742 O THR A 49 -6.223 -0.294 3.951 1.00 0.00 O ATOM 743 CB THR A 49 -9.231 0.556 4.957 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.282 1.078 5.895 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.464 0.064 5.697 1.00 0.00 C ATOM 0 H THR A 49 -7.472 -1.643 5.551 1.00 0.00 H new ATOM 0 HA THR A 49 -9.304 -0.904 3.378 1.00 0.00 H new ATOM 0 HB THR A 49 -9.532 1.345 4.268 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.696 1.801 6.411 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.897 0.885 6.269 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.197 -0.304 4.979 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.184 -0.743 6.375 1.00 0.00 H new ATOM 753 N MET A 50 -7.502 0.662 2.372 1.00 0.00 N ATOM 754 CA MET A 50 -6.375 1.235 1.652 1.00 0.00 C ATOM 755 C MET A 50 -5.608 2.220 2.529 1.00 0.00 C ATOM 756 O MET A 50 -4.515 2.659 2.172 1.00 0.00 O ATOM 757 CB MET A 50 -6.860 1.933 0.382 1.00 0.00 C ATOM 758 CG MET A 50 -7.353 0.973 -0.690 1.00 0.00 C ATOM 759 SD MET A 50 -7.637 1.786 -2.275 1.00 0.00 S ATOM 760 CE MET A 50 -8.206 0.408 -3.266 1.00 0.00 C ATOM 0 H MET A 50 -8.413 0.861 1.958 1.00 0.00 H new ATOM 0 HA MET A 50 -5.700 0.424 1.379 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.665 2.621 0.640 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.047 2.533 -0.026 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.622 0.175 -0.821 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.279 0.505 -0.355 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.645 0.375 -4.200 1.00 0.00 H new ATOM 0 HE2 MET A 50 -8.053 -0.522 -2.718 1.00 0.00 H new ATOM 0 HE3 MET A 50 -9.267 0.530 -3.484 1.00 0.00 H new ATOM 770 N LYS A 51 -6.181 2.558 3.681 1.00 0.00 N ATOM 771 CA LYS A 51 -5.534 3.470 4.617 1.00 0.00 C ATOM 772 C LYS A 51 -4.623 2.697 5.559 1.00 0.00 C ATOM 773 O LYS A 51 -3.462 3.059 5.760 1.00 0.00 O ATOM 774 CB LYS A 51 -6.581 4.245 5.419 1.00 0.00 C ATOM 775 CG LYS A 51 -5.984 5.262 6.379 1.00 0.00 C ATOM 776 CD LYS A 51 -7.059 5.979 7.182 1.00 0.00 C ATOM 777 CE LYS A 51 -7.576 5.123 8.329 1.00 0.00 C ATOM 778 NZ LYS A 51 -8.306 3.918 7.848 1.00 0.00 N ATOM 0 H LYS A 51 -7.091 2.214 3.988 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.934 4.181 4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.248 4.759 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.190 3.539 5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.296 4.760 7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.401 5.993 5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.656 6.911 7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.887 6.244 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.739 4.813 8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.238 5.720 8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.037 3.656 8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.754 4.126 6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.638 3.129 7.735 1.00 0.00 H new ATOM 792 N GLU A 52 -5.148 1.607 6.103 1.00 0.00 N ATOM 793 CA GLU A 52 -4.336 0.665 6.849 1.00 0.00 C ATOM 794 C GLU A 52 -3.206 0.145 5.974 1.00 0.00 C ATOM 795 O GLU A 52 -2.034 0.328 6.286 1.00 0.00 O ATOM 796 CB GLU A 52 -5.200 -0.492 7.343 1.00 0.00 C ATOM 797 CG GLU A 52 -5.038 -0.776 8.828 1.00 0.00 C ATOM 798 CD GLU A 52 -5.920 -1.910 9.310 1.00 0.00 C ATOM 799 OE1 GLU A 52 -7.097 -1.649 9.637 1.00 0.00 O ATOM 800 OE2 GLU A 52 -5.432 -3.058 9.366 1.00 0.00 O ATOM 0 H GLU A 52 -6.135 1.356 6.039 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.905 1.172 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.246 -0.269 7.136 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.948 -1.390 6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.996 -1.020 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.273 0.126 9.393 1.00 0.00 H new ATOM 807 N VAL A 53 -3.577 -0.481 4.864 1.00 0.00 N ATOM 808 CA VAL A 53 -2.606 -0.972 3.895 1.00 0.00 C ATOM 809 C VAL A 53 -1.651 0.134 3.454 1.00 0.00 C ATOM 810 O VAL A 53 -0.493 -0.130 3.135 1.00 0.00 O ATOM 811 CB VAL A 53 -3.305 -1.561 2.655 1.00 0.00 C ATOM 812 CG1 VAL A 53 -2.286 -2.169 1.705 1.00 0.00 C ATOM 813 CG2 VAL A 53 -4.340 -2.596 3.066 1.00 0.00 C ATOM 0 H VAL A 53 -4.549 -0.661 4.612 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.035 -1.757 4.390 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.818 -0.753 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.799 -2.580 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.585 -1.399 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.743 -2.964 2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.823 -3.001 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.851 -3.403 3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.089 -2.128 3.704 1.00 0.00 H new ATOM 823 N LEU A 54 -2.133 1.375 3.447 1.00 0.00 N ATOM 824 CA LEU A 54 -1.281 2.516 3.125 1.00 0.00 C ATOM 825 C LEU A 54 -0.031 2.525 4.000 1.00 0.00 C ATOM 826 O LEU A 54 1.072 2.254 3.524 1.00 0.00 O ATOM 827 CB LEU A 54 -2.045 3.832 3.298 1.00 0.00 C ATOM 828 CG LEU A 54 -1.206 5.100 3.114 1.00 0.00 C ATOM 829 CD1 LEU A 54 -0.656 5.180 1.698 1.00 0.00 C ATOM 830 CD2 LEU A 54 -2.032 6.336 3.439 1.00 0.00 C ATOM 0 H LEU A 54 -3.102 1.615 3.659 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.978 2.420 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.868 3.853 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.487 3.849 4.294 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.363 5.057 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.063 6.088 1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.028 4.311 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.482 5.198 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.421 7.228 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.895 6.382 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.373 6.284 4.473 1.00 0.00 H new ATOM 842 N PHE A 55 -0.203 2.850 5.278 1.00 0.00 N ATOM 843 CA PHE A 55 0.938 2.994 6.175 1.00 0.00 C ATOM 844 C PHE A 55 1.538 1.635 6.527 1.00 0.00 C ATOM 845 O PHE A 55 2.710 1.544 6.891 1.00 0.00 O ATOM 846 CB PHE A 55 0.538 3.744 7.452 1.00 0.00 C ATOM 847 CG PHE A 55 -0.601 3.119 8.209 1.00 0.00 C ATOM 848 CD1 PHE A 55 -0.417 1.953 8.935 1.00 0.00 C ATOM 849 CD2 PHE A 55 -1.856 3.707 8.203 1.00 0.00 C ATOM 850 CE1 PHE A 55 -1.463 1.383 9.637 1.00 0.00 C ATOM 851 CE2 PHE A 55 -2.905 3.143 8.904 1.00 0.00 C ATOM 852 CZ PHE A 55 -2.708 1.980 9.622 1.00 0.00 C ATOM 0 H PHE A 55 -1.111 3.017 5.712 1.00 0.00 H new ATOM 0 HA PHE A 55 1.696 3.577 5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.405 3.805 8.110 1.00 0.00 H new ATOM 0 HB3 PHE A 55 0.266 4.766 7.188 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.556 1.484 8.953 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.016 4.617 7.644 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.307 0.472 10.196 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.878 3.611 8.890 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.526 1.538 10.171 1.00 0.00 H new ATOM 862 N TYR A 56 0.728 0.584 6.429 1.00 0.00 N ATOM 863 CA TYR A 56 1.149 -0.748 6.853 1.00 0.00 C ATOM 864 C TYR A 56 2.046 -1.404 5.812 1.00 0.00 C ATOM 865 O TYR A 56 3.122 -1.902 6.137 1.00 0.00 O ATOM 866 CB TYR A 56 -0.062 -1.639 7.119 1.00 0.00 C ATOM 867 CG TYR A 56 -0.074 -2.250 8.499 1.00 0.00 C ATOM 868 CD1 TYR A 56 1.100 -2.698 9.095 1.00 0.00 C ATOM 869 CD2 TYR A 56 -1.261 -2.380 9.206 1.00 0.00 C ATOM 870 CE1 TYR A 56 1.088 -3.258 10.358 1.00 0.00 C ATOM 871 CE2 TYR A 56 -1.283 -2.937 10.467 1.00 0.00 C ATOM 872 CZ TYR A 56 -0.106 -3.376 11.041 1.00 0.00 C ATOM 873 OH TYR A 56 -0.122 -3.932 12.300 1.00 0.00 O ATOM 0 H TYR A 56 -0.222 0.629 6.060 1.00 0.00 H new ATOM 0 HA TYR A 56 1.717 -0.630 7.776 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.971 -1.052 6.983 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.084 -2.438 6.377 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.035 -2.607 8.563 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.184 -2.039 8.761 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.008 -3.602 10.808 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.216 -3.030 11.003 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.040 -3.940 12.642 1.00 0.00 H new ATOM 883 N LEU A 57 1.610 -1.394 4.558 1.00 0.00 N ATOM 884 CA LEU A 57 2.459 -1.849 3.468 1.00 0.00 C ATOM 885 C LEU A 57 3.735 -1.022 3.420 1.00 0.00 C ATOM 886 O LEU A 57 4.813 -1.546 3.151 1.00 0.00 O ATOM 887 CB LEU A 57 1.715 -1.771 2.129 1.00 0.00 C ATOM 888 CG LEU A 57 2.562 -2.067 0.885 1.00 0.00 C ATOM 889 CD1 LEU A 57 3.409 -3.313 1.090 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.671 -2.235 -0.335 1.00 0.00 C ATOM 0 H LEU A 57 0.682 -1.079 4.274 1.00 0.00 H new ATOM 0 HA LEU A 57 2.723 -2.891 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.881 -2.473 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.288 -0.773 2.028 1.00 0.00 H new ATOM 0 HG LEU A 57 3.229 -1.221 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.001 -3.502 0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.075 -3.164 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.759 -4.167 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.287 -2.445 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.981 -3.063 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.105 -1.318 -0.501 1.00 0.00 H new ATOM 902 N GLY A 58 3.612 0.262 3.739 1.00 0.00 N ATOM 903 CA GLY A 58 4.787 1.077 3.975 1.00 0.00 C ATOM 904 C GLY A 58 5.709 0.461 5.010 1.00 0.00 C ATOM 905 O GLY A 58 6.931 0.496 4.861 1.00 0.00 O ATOM 0 H GLY A 58 2.722 0.751 3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.330 1.209 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.479 2.068 4.308 1.00 0.00 H new ATOM 909 N GLN A 59 5.121 -0.117 6.055 1.00 0.00 N ATOM 910 CA GLN A 59 5.897 -0.793 7.089 1.00 0.00 C ATOM 911 C GLN A 59 6.669 -1.971 6.505 1.00 0.00 C ATOM 912 O GLN A 59 7.893 -2.019 6.596 1.00 0.00 O ATOM 913 CB GLN A 59 4.992 -1.282 8.223 1.00 0.00 C ATOM 914 CG GLN A 59 4.129 -0.196 8.839 1.00 0.00 C ATOM 915 CD GLN A 59 4.931 1.016 9.275 1.00 0.00 C ATOM 916 OE1 GLN A 59 5.403 1.087 10.409 1.00 0.00 O ATOM 917 NE2 GLN A 59 5.089 1.978 8.373 1.00 0.00 N ATOM 0 H GLN A 59 4.112 -0.130 6.207 1.00 0.00 H new ATOM 0 HA GLN A 59 6.606 -0.070 7.493 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.345 -2.073 7.842 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.612 -1.725 9.003 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.374 0.114 8.117 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.599 -0.604 9.700 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.680 1.878 7.444 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.619 2.817 8.609 1.00 0.00 H new ATOM 926 N TYR A 60 5.945 -2.935 5.933 1.00 0.00 N ATOM 927 CA TYR A 60 6.555 -4.193 5.510 1.00 0.00 C ATOM 928 C TYR A 60 7.692 -3.951 4.520 1.00 0.00 C ATOM 929 O TYR A 60 8.741 -4.589 4.604 1.00 0.00 O ATOM 930 CB TYR A 60 5.511 -5.121 4.886 1.00 0.00 C ATOM 931 CG TYR A 60 6.010 -6.533 4.685 1.00 0.00 C ATOM 932 CD1 TYR A 60 6.693 -6.887 3.530 1.00 0.00 C ATOM 933 CD2 TYR A 60 5.808 -7.509 5.651 1.00 0.00 C ATOM 934 CE1 TYR A 60 7.158 -8.172 3.342 1.00 0.00 C ATOM 935 CE2 TYR A 60 6.272 -8.796 5.473 1.00 0.00 C ATOM 936 CZ TYR A 60 6.946 -9.123 4.317 1.00 0.00 C ATOM 937 OH TYR A 60 7.412 -10.405 4.135 1.00 0.00 O ATOM 0 H TYR A 60 4.943 -2.868 5.754 1.00 0.00 H new ATOM 0 HA TYR A 60 6.967 -4.672 6.398 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.627 -5.143 5.523 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.200 -4.712 3.924 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.863 -6.144 2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.278 -7.257 6.558 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.685 -8.432 2.436 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.108 -9.543 6.236 1.00 0.00 H new ATOM 0 HH TYR A 60 7.535 -10.835 5.007 1.00 0.00 H new ATOM 947 N ILE A 61 7.483 -3.023 3.592 1.00 0.00 N ATOM 948 CA ILE A 61 8.531 -2.636 2.652 1.00 0.00 C ATOM 949 C ILE A 61 9.783 -2.191 3.396 1.00 0.00 C ATOM 950 O ILE A 61 10.823 -2.848 3.335 1.00 0.00 O ATOM 951 CB ILE A 61 8.071 -1.485 1.736 1.00 0.00 C ATOM 952 CG1 ILE A 61 6.754 -1.835 1.052 1.00 0.00 C ATOM 953 CG2 ILE A 61 9.134 -1.169 0.697 1.00 0.00 C ATOM 954 CD1 ILE A 61 6.066 -0.632 0.456 1.00 0.00 C ATOM 0 H ILE A 61 6.601 -2.526 3.470 1.00 0.00 H new ATOM 0 HA ILE A 61 8.751 -3.513 2.043 1.00 0.00 H new ATOM 0 HB ILE A 61 7.917 -0.601 2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.941 -2.567 0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.089 -2.307 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.790 -0.354 0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.056 -0.874 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.320 -2.053 0.086 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.134 -0.943 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.850 0.091 1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.716 -0.173 -0.289 1.00 0.00 H new ATOM 966 N MET A 62 9.666 -1.073 4.106 1.00 0.00 N ATOM 967 CA MET A 62 10.770 -0.552 4.909 1.00 0.00 C ATOM 968 C MET A 62 11.342 -1.625 5.833 1.00 0.00 C ATOM 969 O MET A 62 12.531 -1.611 6.152 1.00 0.00 O ATOM 970 CB MET A 62 10.302 0.646 5.737 1.00 0.00 C ATOM 971 CG MET A 62 9.701 1.763 4.902 1.00 0.00 C ATOM 972 SD MET A 62 10.876 2.459 3.725 1.00 0.00 S ATOM 973 CE MET A 62 9.859 3.697 2.924 1.00 0.00 C ATOM 0 H MET A 62 8.817 -0.509 4.142 1.00 0.00 H new ATOM 0 HA MET A 62 11.557 -0.236 4.225 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.563 0.309 6.464 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.147 1.040 6.301 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.834 1.382 4.362 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.343 2.553 5.562 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.456 4.240 2.191 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.022 3.211 2.422 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.479 4.394 3.671 1.00 0.00 H new ATOM 983 N THR A 63 10.490 -2.550 6.264 1.00 0.00 N ATOM 984 CA THR A 63 10.907 -3.607 7.182 1.00 0.00 C ATOM 985 C THR A 63 11.294 -4.873 6.425 1.00 0.00 C ATOM 986 O THR A 63 11.315 -4.890 5.194 1.00 0.00 O ATOM 987 CB THR A 63 9.803 -3.951 8.200 1.00 0.00 C ATOM 988 OG1 THR A 63 8.634 -4.419 7.521 1.00 0.00 O ATOM 989 CG2 THR A 63 9.452 -2.737 9.048 1.00 0.00 C ATOM 0 H THR A 63 9.507 -2.590 5.993 1.00 0.00 H new ATOM 0 HA THR A 63 11.774 -3.225 7.720 1.00 0.00 H new ATOM 0 HB THR A 63 10.178 -4.737 8.855 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.074 -4.925 8.146 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.670 -3.004 9.759 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.337 -2.403 9.590 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.097 -1.933 8.403 1.00 0.00 H new ATOM 997 N LYS A 64 11.607 -5.929 7.172 1.00 0.00 N ATOM 998 CA LYS A 64 11.990 -7.210 6.583 1.00 0.00 C ATOM 999 C LYS A 64 13.256 -7.074 5.744 1.00 0.00 C ATOM 1000 O LYS A 64 13.652 -8.003 5.039 1.00 0.00 O ATOM 1001 CB LYS A 64 10.850 -7.769 5.728 1.00 0.00 C ATOM 1002 CG LYS A 64 9.529 -7.886 6.474 1.00 0.00 C ATOM 1003 CD LYS A 64 9.607 -8.910 7.595 1.00 0.00 C ATOM 1004 CE LYS A 64 8.296 -9.000 8.359 1.00 0.00 C ATOM 1005 NZ LYS A 64 7.928 -7.702 8.989 1.00 0.00 N ATOM 0 H LYS A 64 11.603 -5.922 8.192 1.00 0.00 H new ATOM 0 HA LYS A 64 12.194 -7.904 7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.711 -7.127 4.858 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.135 -8.753 5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.256 -6.915 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.741 -8.169 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.856 -9.887 7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.411 -8.641 8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.502 -9.312 7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.377 -9.767 9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.183 -7.859 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.764 -7.291 9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.580 -7.048 8.259 1.00 0.00 H new ATOM 1019 N ARG A 65 13.884 -5.907 5.832 1.00 0.00 N ATOM 1020 CA ARG A 65 15.104 -5.619 5.085 1.00 0.00 C ATOM 1021 C ARG A 65 14.952 -5.968 3.607 1.00 0.00 C ATOM 1022 O ARG A 65 15.598 -6.888 3.104 1.00 0.00 O ATOM 1023 CB ARG A 65 16.288 -6.381 5.685 1.00 0.00 C ATOM 1024 CG ARG A 65 16.594 -5.991 7.122 1.00 0.00 C ATOM 1025 CD ARG A 65 17.806 -6.735 7.657 1.00 0.00 C ATOM 1026 NE ARG A 65 18.127 -6.343 9.027 1.00 0.00 N ATOM 1027 CZ ARG A 65 19.257 -6.676 9.643 1.00 0.00 C ATOM 1028 NH1 ARG A 65 20.170 -7.404 9.015 1.00 0.00 N ATOM 1029 NH2 ARG A 65 19.475 -6.280 10.890 1.00 0.00 N ATOM 0 H ARG A 65 13.564 -5.137 6.420 1.00 0.00 H new ATOM 0 HA ARG A 65 15.292 -4.548 5.160 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.081 -7.450 5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.172 -6.204 5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.771 -4.917 7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 65 15.729 -6.204 7.750 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.618 -7.808 7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.664 -6.541 7.014 1.00 0.00 H new ATOM 0 HE ARG A 65 17.446 -5.783 9.540 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.007 -7.710 8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.036 -7.658 9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.775 -5.720 11.377 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.342 -6.536 11.362 1.00 0.00 H new ATOM 1043 N LEU A 66 14.108 -5.213 2.913 1.00 0.00 N ATOM 1044 CA LEU A 66 13.925 -5.388 1.478 1.00 0.00 C ATOM 1045 C LEU A 66 14.197 -4.085 0.728 1.00 0.00 C ATOM 1046 O LEU A 66 14.259 -4.069 -0.500 1.00 0.00 O ATOM 1047 CB LEU A 66 12.504 -5.871 1.190 1.00 0.00 C ATOM 1048 CG LEU A 66 11.981 -6.940 2.153 1.00 0.00 C ATOM 1049 CD1 LEU A 66 10.543 -7.299 1.826 1.00 0.00 C ATOM 1050 CD2 LEU A 66 12.863 -8.177 2.109 1.00 0.00 C ATOM 0 H LEU A 66 13.539 -4.472 3.323 1.00 0.00 H new ATOM 0 HA LEU A 66 14.638 -6.136 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.831 -5.014 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.469 -6.268 0.175 1.00 0.00 H new ATOM 0 HG LEU A 66 12.011 -6.533 3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.191 -8.060 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.917 -6.411 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.487 -7.684 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.475 -8.925 2.800 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.868 -8.585 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.880 -7.909 2.397 1.00 0.00 H new ATOM 1062 N TYR A 67 14.338 -2.993 1.473 1.00 0.00 N ATOM 1063 CA TYR A 67 14.478 -1.669 0.874 1.00 0.00 C ATOM 1064 C TYR A 67 15.869 -1.477 0.273 1.00 0.00 C ATOM 1065 O TYR A 67 16.789 -2.247 0.553 1.00 0.00 O ATOM 1066 CB TYR A 67 14.197 -0.582 1.914 1.00 0.00 C ATOM 1067 CG TYR A 67 15.284 -0.429 2.954 1.00 0.00 C ATOM 1068 CD1 TYR A 67 15.479 -1.392 3.935 1.00 0.00 C ATOM 1069 CD2 TYR A 67 16.113 0.685 2.954 1.00 0.00 C ATOM 1070 CE1 TYR A 67 16.472 -1.250 4.887 1.00 0.00 C ATOM 1071 CE2 TYR A 67 17.107 0.835 3.900 1.00 0.00 C ATOM 1072 CZ TYR A 67 17.283 -0.135 4.865 1.00 0.00 C ATOM 1073 OH TYR A 67 18.273 0.011 5.809 1.00 0.00 O ATOM 0 H TYR A 67 14.358 -2.998 2.493 1.00 0.00 H new ATOM 0 HA TYR A 67 13.748 -1.587 0.069 1.00 0.00 H new ATOM 0 HB2 TYR A 67 14.062 0.370 1.401 1.00 0.00 H new ATOM 0 HB3 TYR A 67 13.257 -0.809 2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 67 14.845 -2.266 3.955 1.00 0.00 H new ATOM 0 HD2 TYR A 67 15.978 1.447 2.201 1.00 0.00 H new ATOM 0 HE1 TYR A 67 16.612 -2.008 5.643 1.00 0.00 H new ATOM 0 HE2 TYR A 67 17.744 1.707 3.885 1.00 0.00 H new ATOM 0 HH TYR A 67 18.754 0.850 5.652 1.00 0.00 H new ATOM 1083 N ASP A 68 16.013 -0.430 -0.538 1.00 0.00 N ATOM 1084 CA ASP A 68 17.315 0.007 -1.040 1.00 0.00 C ATOM 1085 C ASP A 68 18.320 0.212 0.100 1.00 0.00 C ATOM 1086 O ASP A 68 18.210 -0.394 1.165 1.00 0.00 O ATOM 1087 CB ASP A 68 17.137 1.317 -1.827 1.00 0.00 C ATOM 1088 CG ASP A 68 16.908 2.520 -0.933 1.00 0.00 C ATOM 1089 OD1 ASP A 68 16.970 2.367 0.304 1.00 0.00 O ATOM 1090 OD2 ASP A 68 16.671 3.619 -1.474 1.00 0.00 O ATOM 0 H ASP A 68 15.232 0.138 -0.865 1.00 0.00 H new ATOM 0 HA ASP A 68 17.713 -0.771 -1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.022 1.490 -2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.293 1.213 -2.509 1.00 0.00 H new ATOM 1095 N GLU A 69 19.277 1.108 -0.119 1.00 0.00 N ATOM 1096 CA GLU A 69 20.120 1.604 0.961 1.00 0.00 C ATOM 1097 C GLU A 69 20.589 3.025 0.668 1.00 0.00 C ATOM 1098 O GLU A 69 21.580 3.493 1.230 1.00 0.00 O ATOM 1099 CB GLU A 69 21.325 0.682 1.165 1.00 0.00 C ATOM 1100 CG GLU A 69 22.194 0.532 -0.075 1.00 0.00 C ATOM 1101 CD GLU A 69 23.374 -0.392 0.149 1.00 0.00 C ATOM 1102 OE1 GLU A 69 24.445 0.102 0.561 1.00 0.00 O ATOM 1103 OE2 GLU A 69 23.228 -1.610 -0.086 1.00 0.00 O ATOM 0 H GLU A 69 19.487 1.505 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 69 19.529 1.616 1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 69 21.935 1.070 1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 69 20.971 -0.302 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.587 0.148 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.558 1.513 -0.380 1.00 0.00 H new ATOM 1110 N LYS A 70 19.863 3.707 -0.212 1.00 0.00 N ATOM 1111 CA LYS A 70 20.166 5.092 -0.547 1.00 0.00 C ATOM 1112 C LYS A 70 19.197 6.042 0.148 1.00 0.00 C ATOM 1113 O LYS A 70 19.601 6.868 0.967 1.00 0.00 O ATOM 1114 CB LYS A 70 20.099 5.299 -2.062 1.00 0.00 C ATOM 1115 CG LYS A 70 21.079 4.433 -2.838 1.00 0.00 C ATOM 1116 CD LYS A 70 20.950 4.647 -4.339 1.00 0.00 C ATOM 1117 CE LYS A 70 21.336 6.062 -4.739 1.00 0.00 C ATOM 1118 NZ LYS A 70 21.203 6.281 -6.206 1.00 0.00 N ATOM 0 H LYS A 70 19.059 3.321 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 70 21.176 5.311 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.087 5.085 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.297 6.347 -2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 70 22.097 4.663 -2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.903 3.383 -2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.585 3.934 -4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 70 19.924 4.448 -4.648 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.705 6.774 -4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.364 6.257 -4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.476 7.258 -6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.824 5.619 -6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.216 6.120 -6.493 1.00 0.00 H new ATOM 1132 N GLN A 71 17.914 5.917 -0.182 1.00 0.00 N ATOM 1133 CA GLN A 71 16.885 6.762 0.414 1.00 0.00 C ATOM 1134 C GLN A 71 15.652 5.945 0.787 1.00 0.00 C ATOM 1135 O GLN A 71 14.560 6.490 0.956 1.00 0.00 O ATOM 1136 CB GLN A 71 16.495 7.885 -0.548 1.00 0.00 C ATOM 1137 CG GLN A 71 17.671 8.740 -0.993 1.00 0.00 C ATOM 1138 CD GLN A 71 17.262 9.842 -1.950 1.00 0.00 C ATOM 1139 OE1 GLN A 71 16.926 10.951 -1.531 1.00 0.00 O ATOM 1140 NE2 GLN A 71 17.286 9.544 -3.244 1.00 0.00 N ATOM 0 H GLN A 71 17.563 5.239 -0.858 1.00 0.00 H new ATOM 0 HA GLN A 71 17.296 7.199 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.019 7.450 -1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.754 8.523 -0.067 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.146 9.182 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.416 8.105 -1.473 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.571 8.613 -3.548 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.020 10.246 -3.934 1.00 0.00 H new ATOM 1149 N GLN A 72 15.839 4.635 0.917 1.00 0.00 N ATOM 1150 CA GLN A 72 14.751 3.730 1.279 1.00 0.00 C ATOM 1151 C GLN A 72 13.565 3.899 0.335 1.00 0.00 C ATOM 1152 O GLN A 72 12.421 4.029 0.771 1.00 0.00 O ATOM 1153 CB GLN A 72 14.323 3.980 2.726 1.00 0.00 C ATOM 1154 CG GLN A 72 15.483 3.960 3.709 1.00 0.00 C ATOM 1155 CD GLN A 72 15.029 4.058 5.152 1.00 0.00 C ATOM 1156 OE1 GLN A 72 14.001 4.666 5.452 1.00 0.00 O ATOM 1157 NE2 GLN A 72 15.796 3.459 6.056 1.00 0.00 N ATOM 0 H GLN A 72 16.738 4.174 0.776 1.00 0.00 H new ATOM 0 HA GLN A 72 15.110 2.705 1.188 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.821 4.945 2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.595 3.223 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.053 3.041 3.573 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.156 4.788 3.487 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.640 2.966 5.763 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.541 3.492 7.043 1.00 0.00 H new ATOM 1166 N HIS A 73 13.849 3.893 -0.966 1.00 0.00 N ATOM 1167 CA HIS A 73 12.809 4.050 -1.974 1.00 0.00 C ATOM 1168 C HIS A 73 13.047 3.130 -3.171 1.00 0.00 C ATOM 1169 O HIS A 73 12.157 2.952 -4.000 1.00 0.00 O ATOM 1170 CB HIS A 73 12.724 5.508 -2.440 1.00 0.00 C ATOM 1171 CG HIS A 73 13.905 5.960 -3.245 1.00 0.00 C ATOM 1172 ND1 HIS A 73 13.785 6.720 -4.391 1.00 0.00 N ATOM 1173 CD2 HIS A 73 15.232 5.767 -3.062 1.00 0.00 C ATOM 1174 CE1 HIS A 73 14.988 6.971 -4.878 1.00 0.00 C ATOM 1175 NE2 HIS A 73 15.882 6.405 -4.089 1.00 0.00 N ATOM 0 H HIS A 73 14.790 3.781 -1.344 1.00 0.00 H new ATOM 0 HA HIS A 73 11.862 3.769 -1.514 1.00 0.00 H new ATOM 0 HB2 HIS A 73 11.820 5.636 -3.036 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.624 6.153 -1.567 1.00 0.00 H new ATOM 0 HD2 HIS A 73 15.694 5.214 -2.257 1.00 0.00 H new ATOM 0 HE1 HIS A 73 15.203 7.542 -5.769 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.893 6.437 -4.221 1.00 0.00 H new ATOM 1184 N ILE A 74 14.228 2.511 -3.245 1.00 0.00 N ATOM 1185 CA ILE A 74 14.439 1.429 -4.200 1.00 0.00 C ATOM 1186 C ILE A 74 14.447 0.087 -3.487 1.00 0.00 C ATOM 1187 O ILE A 74 15.500 -0.496 -3.237 1.00 0.00 O ATOM 1188 CB ILE A 74 15.749 1.589 -4.993 1.00 0.00 C ATOM 1189 CG1 ILE A 74 16.009 3.058 -5.322 1.00 0.00 C ATOM 1190 CG2 ILE A 74 15.688 0.769 -6.273 1.00 0.00 C ATOM 1191 CD1 ILE A 74 14.868 3.725 -6.061 1.00 0.00 C ATOM 0 H ILE A 74 15.036 2.737 -2.666 1.00 0.00 H new ATOM 0 HA ILE A 74 13.612 1.472 -4.908 1.00 0.00 H new ATOM 0 HB ILE A 74 16.571 1.226 -4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.198 3.601 -4.396 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.914 3.132 -5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.619 0.889 -6.827 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.546 -0.283 -6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 74 14.855 1.113 -6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 74 15.123 4.766 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.693 3.207 -7.004 1.00 0.00 H new ATOM 0 HD13 ILE A 74 13.966 3.683 -5.451 1.00 0.00 H new ATOM 1203 N VAL A 75 13.265 -0.382 -3.131 1.00 0.00 N ATOM 1204 CA VAL A 75 13.141 -1.564 -2.295 1.00 0.00 C ATOM 1205 C VAL A 75 13.161 -2.831 -3.140 1.00 0.00 C ATOM 1206 O VAL A 75 12.206 -3.135 -3.856 1.00 0.00 O ATOM 1207 CB VAL A 75 11.856 -1.512 -1.444 1.00 0.00 C ATOM 1208 CG1 VAL A 75 10.737 -0.842 -2.218 1.00 0.00 C ATOM 1209 CG2 VAL A 75 11.447 -2.902 -0.976 1.00 0.00 C ATOM 0 H VAL A 75 12.377 0.037 -3.407 1.00 0.00 H new ATOM 0 HA VAL A 75 13.997 -1.582 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 75 12.060 -0.917 -0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.837 -0.813 -1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.032 0.175 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.537 -1.406 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.538 -2.832 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 75 11.264 -3.538 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.246 -3.332 -0.372 1.00 0.00 H new ATOM 1219 N TYR A 76 14.273 -3.553 -3.059 1.00 0.00 N ATOM 1220 CA TYR A 76 14.464 -4.761 -3.847 1.00 0.00 C ATOM 1221 C TYR A 76 13.793 -5.957 -3.180 1.00 0.00 C ATOM 1222 O TYR A 76 14.013 -6.226 -1.999 1.00 0.00 O ATOM 1223 CB TYR A 76 15.958 -5.024 -4.027 1.00 0.00 C ATOM 1224 CG TYR A 76 16.758 -3.764 -4.264 1.00 0.00 C ATOM 1225 CD1 TYR A 76 16.622 -3.046 -5.445 1.00 0.00 C ATOM 1226 CD2 TYR A 76 17.647 -3.288 -3.307 1.00 0.00 C ATOM 1227 CE1 TYR A 76 17.350 -1.891 -5.664 1.00 0.00 C ATOM 1228 CE2 TYR A 76 18.376 -2.136 -3.520 1.00 0.00 C ATOM 1229 CZ TYR A 76 18.225 -1.441 -4.700 1.00 0.00 C ATOM 1230 OH TYR A 76 18.951 -0.293 -4.916 1.00 0.00 O ATOM 0 H TYR A 76 15.059 -3.320 -2.452 1.00 0.00 H new ATOM 0 HA TYR A 76 14.003 -4.618 -4.824 1.00 0.00 H new ATOM 0 HB2 TYR A 76 16.341 -5.529 -3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 76 16.103 -5.702 -4.868 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.937 -3.395 -6.204 1.00 0.00 H new ATOM 0 HD2 TYR A 76 17.769 -3.829 -2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 76 17.233 -1.344 -6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 76 19.062 -1.781 -2.765 1.00 0.00 H new ATOM 0 HH TYR A 76 19.519 -0.114 -4.138 1.00 0.00 H new ATOM 1240 N CYS A 77 12.959 -6.662 -3.940 1.00 0.00 N ATOM 1241 CA CYS A 77 12.167 -7.754 -3.387 1.00 0.00 C ATOM 1242 C CYS A 77 12.269 -9.003 -4.256 1.00 0.00 C ATOM 1243 O CYS A 77 11.311 -9.387 -4.928 1.00 0.00 O ATOM 1244 CB CYS A 77 10.703 -7.332 -3.243 1.00 0.00 C ATOM 1245 SG CYS A 77 10.449 -5.928 -2.135 1.00 0.00 S ATOM 0 H CYS A 77 12.815 -6.497 -4.936 1.00 0.00 H new ATOM 0 HA CYS A 77 12.567 -7.991 -2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 77 10.309 -7.080 -4.228 1.00 0.00 H new ATOM 0 HB3 CYS A 77 10.125 -8.180 -2.876 1.00 0.00 H new ATOM 0 HG CYS A 77 10.009 -6.354 -0.988 1.00 0.00 H new ATOM 1251 N SER A 78 13.430 -9.651 -4.212 1.00 0.00 N ATOM 1252 CA SER A 78 13.604 -10.953 -4.845 1.00 0.00 C ATOM 1253 C SER A 78 13.279 -12.073 -3.862 1.00 0.00 C ATOM 1254 O SER A 78 13.925 -12.202 -2.821 1.00 0.00 O ATOM 1255 CB SER A 78 15.036 -11.109 -5.359 1.00 0.00 C ATOM 1256 OG SER A 78 15.222 -12.369 -5.980 1.00 0.00 O ATOM 0 H SER A 78 14.264 -9.295 -3.744 1.00 0.00 H new ATOM 0 HA SER A 78 12.917 -11.017 -5.689 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.259 -10.314 -6.070 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.736 -11.002 -4.531 1.00 0.00 H new ATOM 0 HG SER A 78 16.145 -12.442 -6.301 1.00 0.00 H new ATOM 1262 N ASN A 79 12.261 -12.866 -4.188 1.00 0.00 N ATOM 1263 CA ASN A 79 11.769 -13.899 -3.282 1.00 0.00 C ATOM 1264 C ASN A 79 11.306 -13.286 -1.963 1.00 0.00 C ATOM 1265 O ASN A 79 11.854 -13.579 -0.900 1.00 0.00 O ATOM 1266 CB ASN A 79 12.857 -14.945 -3.023 1.00 0.00 C ATOM 1267 CG ASN A 79 13.311 -15.634 -4.294 1.00 0.00 C ATOM 1268 OD1 ASN A 79 12.760 -16.662 -4.688 1.00 0.00 O ATOM 1269 ND2 ASN A 79 14.322 -15.069 -4.945 1.00 0.00 N ATOM 0 H ASN A 79 11.760 -12.812 -5.075 1.00 0.00 H new ATOM 0 HA ASN A 79 10.917 -14.387 -3.754 1.00 0.00 H new ATOM 0 HB2 ASN A 79 13.713 -14.465 -2.548 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.481 -15.691 -2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.671 -15.487 -5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.749 -14.217 -4.582 1.00 0.00 H new ATOM 1276 N ASP A 80 10.295 -12.425 -2.045 1.00 0.00 N ATOM 1277 CA ASP A 80 9.775 -11.735 -0.869 1.00 0.00 C ATOM 1278 C ASP A 80 8.251 -11.668 -0.907 1.00 0.00 C ATOM 1279 O ASP A 80 7.641 -11.744 -1.976 1.00 0.00 O ATOM 1280 CB ASP A 80 10.363 -10.327 -0.783 1.00 0.00 C ATOM 1281 CG ASP A 80 11.870 -10.351 -0.614 1.00 0.00 C ATOM 1282 OD1 ASP A 80 12.334 -10.556 0.527 1.00 0.00 O ATOM 1283 OD2 ASP A 80 12.584 -10.167 -1.620 1.00 0.00 O ATOM 0 H ASP A 80 9.819 -12.189 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 80 10.070 -12.298 0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.108 -9.772 -1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.912 -9.796 0.056 1.00 0.00 H new ATOM 1288 N LEU A 81 7.639 -11.527 0.263 1.00 0.00 N ATOM 1289 CA LEU A 81 6.188 -11.413 0.354 1.00 0.00 C ATOM 1290 C LEU A 81 5.707 -10.163 -0.375 1.00 0.00 C ATOM 1291 O LEU A 81 4.694 -10.189 -1.079 1.00 0.00 O ATOM 1292 CB LEU A 81 5.741 -11.383 1.819 1.00 0.00 C ATOM 1293 CG LEU A 81 5.862 -12.718 2.565 1.00 0.00 C ATOM 1294 CD1 LEU A 81 7.318 -13.146 2.678 1.00 0.00 C ATOM 1295 CD2 LEU A 81 5.232 -12.613 3.945 1.00 0.00 C ATOM 0 H LEU A 81 8.123 -11.489 1.160 1.00 0.00 H new ATOM 0 HA LEU A 81 5.743 -12.286 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.332 -10.635 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.702 -11.055 1.859 1.00 0.00 H new ATOM 0 HG LEU A 81 5.327 -13.477 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.378 -14.095 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.741 -13.262 1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.879 -12.387 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.326 -13.568 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.740 -11.838 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.177 -12.357 3.845 1.00 0.00 H new ATOM 1307 N LEU A 82 6.467 -9.080 -0.238 1.00 0.00 N ATOM 1308 CA LEU A 82 6.257 -7.897 -1.059 1.00 0.00 C ATOM 1309 C LEU A 82 6.238 -8.277 -2.535 1.00 0.00 C ATOM 1310 O LEU A 82 5.538 -7.664 -3.340 1.00 0.00 O ATOM 1311 CB LEU A 82 7.363 -6.868 -0.809 1.00 0.00 C ATOM 1312 CG LEU A 82 6.883 -5.422 -0.671 1.00 0.00 C ATOM 1313 CD1 LEU A 82 6.028 -5.025 -1.865 1.00 0.00 C ATOM 1314 CD2 LEU A 82 6.108 -5.240 0.623 1.00 0.00 C ATOM 0 H LEU A 82 7.231 -9.000 0.433 1.00 0.00 H new ATOM 0 HA LEU A 82 5.297 -7.458 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.898 -7.145 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.079 -6.920 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 82 7.757 -4.771 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.696 -3.993 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.615 -5.116 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.159 -5.681 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.774 -4.206 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.242 -5.902 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.751 -5.482 1.469 1.00 0.00 H new ATOM 1326 N GLY A 83 7.011 -9.304 -2.877 1.00 0.00 N ATOM 1327 CA GLY A 83 7.030 -9.802 -4.238 1.00 0.00 C ATOM 1328 C GLY A 83 5.690 -10.363 -4.669 1.00 0.00 C ATOM 1329 O GLY A 83 5.242 -10.119 -5.788 1.00 0.00 O ATOM 0 H GLY A 83 7.626 -9.800 -2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.317 -8.995 -4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.791 -10.578 -4.327 1.00 0.00 H new ATOM 1333 N ASP A 84 5.041 -11.110 -3.776 1.00 0.00 N ATOM 1334 CA ASP A 84 3.712 -11.647 -4.064 1.00 0.00 C ATOM 1335 C ASP A 84 2.758 -10.533 -4.483 1.00 0.00 C ATOM 1336 O ASP A 84 1.842 -10.755 -5.274 1.00 0.00 O ATOM 1337 CB ASP A 84 3.144 -12.393 -2.852 1.00 0.00 C ATOM 1338 CG ASP A 84 4.027 -13.545 -2.416 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.938 -13.318 -1.594 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.808 -14.676 -2.899 1.00 0.00 O ATOM 0 H ASP A 84 5.409 -11.355 -2.857 1.00 0.00 H new ATOM 0 HA ASP A 84 3.813 -12.353 -4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.025 -11.696 -2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.151 -12.772 -3.095 1.00 0.00 H new ATOM 1345 N LEU A 85 2.986 -9.332 -3.957 1.00 0.00 N ATOM 1346 CA LEU A 85 2.173 -8.175 -4.323 1.00 0.00 C ATOM 1347 C LEU A 85 2.184 -7.957 -5.823 1.00 0.00 C ATOM 1348 O LEU A 85 1.158 -8.099 -6.489 1.00 0.00 O ATOM 1349 CB LEU A 85 2.673 -6.918 -3.611 1.00 0.00 C ATOM 1350 CG LEU A 85 2.639 -7.000 -2.088 1.00 0.00 C ATOM 1351 CD1 LEU A 85 2.715 -5.610 -1.474 1.00 0.00 C ATOM 1352 CD2 LEU A 85 1.377 -7.714 -1.639 1.00 0.00 C ATOM 0 H LEU A 85 3.723 -9.135 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 85 1.149 -8.375 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.696 -6.718 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.068 -6.069 -3.931 1.00 0.00 H new ATOM 0 HG LEU A 85 3.505 -7.567 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.689 -5.690 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.643 -5.127 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.867 -5.015 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.358 -7.770 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.504 -7.164 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.362 -8.722 -2.054 1.00 0.00 H new ATOM 1364 N PHE A 86 3.355 -7.646 -6.359 1.00 0.00 N ATOM 1365 CA PHE A 86 3.527 -7.625 -7.802 1.00 0.00 C ATOM 1366 C PHE A 86 4.523 -8.690 -8.252 1.00 0.00 C ATOM 1367 O PHE A 86 4.141 -9.692 -8.858 1.00 0.00 O ATOM 1368 CB PHE A 86 3.973 -6.245 -8.309 1.00 0.00 C ATOM 1369 CG PHE A 86 4.395 -5.270 -7.241 1.00 0.00 C ATOM 1370 CD1 PHE A 86 5.406 -5.584 -6.344 1.00 0.00 C ATOM 1371 CD2 PHE A 86 3.787 -4.028 -7.148 1.00 0.00 C ATOM 1372 CE1 PHE A 86 5.797 -4.680 -5.375 1.00 0.00 C ATOM 1373 CE2 PHE A 86 4.175 -3.117 -6.183 1.00 0.00 C ATOM 1374 CZ PHE A 86 5.180 -3.445 -5.294 1.00 0.00 C ATOM 0 H PHE A 86 4.190 -7.408 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 86 2.552 -7.845 -8.237 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.804 -6.382 -9.001 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.154 -5.803 -8.877 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.893 -6.546 -6.404 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.999 -3.768 -7.839 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.584 -4.938 -4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.694 -2.152 -6.124 1.00 0.00 H new ATOM 0 HZ PHE A 86 5.484 -2.738 -4.536 1.00 0.00 H new ATOM 1384 N GLY A 87 5.799 -8.473 -7.948 1.00 0.00 N ATOM 1385 CA GLY A 87 6.821 -9.442 -8.301 1.00 0.00 C ATOM 1386 C GLY A 87 8.109 -8.790 -8.768 1.00 0.00 C ATOM 1387 O GLY A 87 8.994 -9.461 -9.297 1.00 0.00 O ATOM 0 H GLY A 87 6.143 -7.644 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.031 -10.074 -7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.442 -10.093 -9.088 1.00 0.00 H new ATOM 1391 N VAL A 88 8.209 -7.479 -8.575 1.00 0.00 N ATOM 1392 CA VAL A 88 9.384 -6.731 -9.006 1.00 0.00 C ATOM 1393 C VAL A 88 10.631 -7.168 -8.241 1.00 0.00 C ATOM 1394 O VAL A 88 10.547 -7.562 -7.078 1.00 0.00 O ATOM 1395 CB VAL A 88 9.195 -5.216 -8.800 1.00 0.00 C ATOM 1396 CG1 VAL A 88 7.996 -4.712 -9.584 1.00 0.00 C ATOM 1397 CG2 VAL A 88 9.047 -4.894 -7.322 1.00 0.00 C ATOM 0 H VAL A 88 7.491 -6.913 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 88 9.512 -6.941 -10.068 1.00 0.00 H new ATOM 0 HB VAL A 88 10.082 -4.706 -9.174 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.881 -3.640 -9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.148 -4.906 -10.646 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.097 -5.228 -9.246 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.914 -3.820 -7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.179 -5.417 -6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 88 9.942 -5.215 -6.788 1.00 0.00 H new ATOM 1407 N PRO A 89 11.811 -7.047 -8.871 1.00 0.00 N ATOM 1408 CA PRO A 89 13.088 -7.095 -8.161 1.00 0.00 C ATOM 1409 C PRO A 89 13.381 -5.783 -7.442 1.00 0.00 C ATOM 1410 O PRO A 89 14.284 -5.707 -6.608 1.00 0.00 O ATOM 1411 CB PRO A 89 14.095 -7.328 -9.284 1.00 0.00 C ATOM 1412 CG PRO A 89 13.486 -6.666 -10.472 1.00 0.00 C ATOM 1413 CD PRO A 89 11.993 -6.808 -10.317 1.00 0.00 C ATOM 0 HA PRO A 89 13.110 -7.861 -7.386 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.066 -6.896 -9.043 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.254 -8.392 -9.460 1.00 0.00 H new ATOM 0 HG2 PRO A 89 13.774 -5.616 -10.522 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.827 -7.134 -11.395 1.00 0.00 H new ATOM 0 HD2 PRO A 89 11.470 -5.909 -10.643 1.00 0.00 H new ATOM 0 HD3 PRO A 89 11.606 -7.636 -10.911 1.00 0.00 H new ATOM 1421 N SER A 90 12.604 -4.755 -7.773 1.00 0.00 N ATOM 1422 CA SER A 90 12.749 -3.440 -7.155 1.00 0.00 C ATOM 1423 C SER A 90 11.560 -2.551 -7.505 1.00 0.00 C ATOM 1424 O SER A 90 11.077 -2.571 -8.637 1.00 0.00 O ATOM 1425 CB SER A 90 14.044 -2.773 -7.619 1.00 0.00 C ATOM 1426 OG SER A 90 14.100 -2.692 -9.032 1.00 0.00 O ATOM 0 H SER A 90 11.862 -4.809 -8.471 1.00 0.00 H new ATOM 0 HA SER A 90 12.785 -3.574 -6.074 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.114 -1.773 -7.192 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.900 -3.338 -7.250 1.00 0.00 H new ATOM 0 HG SER A 90 14.937 -2.260 -9.302 1.00 0.00 H new ATOM 1432 N PHE A 91 11.097 -1.765 -6.538 1.00 0.00 N ATOM 1433 CA PHE A 91 10.007 -0.830 -6.787 1.00 0.00 C ATOM 1434 C PHE A 91 10.177 0.456 -5.986 1.00 0.00 C ATOM 1435 O PHE A 91 10.750 0.452 -4.896 1.00 0.00 O ATOM 1436 CB PHE A 91 8.656 -1.481 -6.475 1.00 0.00 C ATOM 1437 CG PHE A 91 8.414 -1.777 -5.018 1.00 0.00 C ATOM 1438 CD1 PHE A 91 8.804 -2.988 -4.468 1.00 0.00 C ATOM 1439 CD2 PHE A 91 7.771 -0.856 -4.205 1.00 0.00 C ATOM 1440 CE1 PHE A 91 8.561 -3.271 -3.138 1.00 0.00 C ATOM 1441 CE2 PHE A 91 7.521 -1.135 -2.876 1.00 0.00 C ATOM 1442 CZ PHE A 91 7.917 -2.344 -2.341 1.00 0.00 C ATOM 0 H PHE A 91 11.456 -1.757 -5.583 1.00 0.00 H new ATOM 0 HA PHE A 91 10.034 -0.568 -7.845 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.862 -0.826 -6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 91 8.580 -2.412 -7.037 1.00 0.00 H new ATOM 0 HD1 PHE A 91 9.304 -3.719 -5.087 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.461 0.093 -4.617 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.874 -4.217 -2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.016 -0.408 -2.256 1.00 0.00 H new ATOM 0 HZ PHE A 91 7.724 -2.565 -1.302 1.00 0.00 H new ATOM 1452 N SER A 92 9.686 1.557 -6.545 1.00 0.00 N ATOM 1453 CA SER A 92 9.830 2.866 -5.920 1.00 0.00 C ATOM 1454 C SER A 92 8.617 3.199 -5.062 1.00 0.00 C ATOM 1455 O SER A 92 7.568 3.590 -5.575 1.00 0.00 O ATOM 1456 CB SER A 92 10.032 3.946 -6.985 1.00 0.00 C ATOM 1457 OG SER A 92 10.091 5.235 -6.400 1.00 0.00 O ATOM 0 H SER A 92 9.183 1.568 -7.432 1.00 0.00 H new ATOM 0 HA SER A 92 10.708 2.836 -5.275 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.952 3.751 -7.535 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.215 3.907 -7.706 1.00 0.00 H new ATOM 0 HG SER A 92 10.222 5.907 -7.101 1.00 0.00 H new ATOM 1463 N VAL A 93 8.772 3.052 -3.751 1.00 0.00 N ATOM 1464 CA VAL A 93 7.714 3.395 -2.810 1.00 0.00 C ATOM 1465 C VAL A 93 7.495 4.903 -2.765 1.00 0.00 C ATOM 1466 O VAL A 93 6.421 5.374 -2.389 1.00 0.00 O ATOM 1467 CB VAL A 93 8.046 2.889 -1.393 1.00 0.00 C ATOM 1468 CG1 VAL A 93 9.241 3.638 -0.825 1.00 0.00 C ATOM 1469 CG2 VAL A 93 6.837 3.019 -0.478 1.00 0.00 C ATOM 0 H VAL A 93 9.623 2.696 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 93 6.802 2.909 -3.157 1.00 0.00 H new ATOM 0 HB VAL A 93 8.307 1.833 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.461 3.267 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 93 10.107 3.482 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.013 4.703 -0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 93 7.093 2.656 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.538 4.065 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 93 6.013 2.429 -0.878 1.00 0.00 H new ATOM 1479 N LYS A 94 8.521 5.656 -3.151 1.00 0.00 N ATOM 1480 CA LYS A 94 8.448 7.112 -3.156 1.00 0.00 C ATOM 1481 C LYS A 94 7.265 7.591 -3.991 1.00 0.00 C ATOM 1482 O LYS A 94 6.575 8.542 -3.622 1.00 0.00 O ATOM 1483 CB LYS A 94 9.748 7.704 -3.704 1.00 0.00 C ATOM 1484 CG LYS A 94 9.827 9.217 -3.587 1.00 0.00 C ATOM 1485 CD LYS A 94 11.104 9.759 -4.208 1.00 0.00 C ATOM 1486 CE LYS A 94 11.181 11.273 -4.092 1.00 0.00 C ATOM 1487 NZ LYS A 94 10.041 11.941 -4.777 1.00 0.00 N ATOM 0 H LYS A 94 9.415 5.279 -3.465 1.00 0.00 H new ATOM 0 HA LYS A 94 8.307 7.451 -2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.591 7.263 -3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.851 7.424 -4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.964 9.666 -4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.782 9.504 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.968 9.311 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.150 9.471 -5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.189 11.556 -3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.119 11.623 -4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.396 12.731 -5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.556 11.256 -5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.373 12.302 -4.067 1.00 0.00 H new ATOM 1501 N GLU A 95 7.025 6.912 -5.108 1.00 0.00 N ATOM 1502 CA GLU A 95 5.865 7.195 -5.944 1.00 0.00 C ATOM 1503 C GLU A 95 4.702 6.274 -5.584 1.00 0.00 C ATOM 1504 O GLU A 95 4.514 5.221 -6.196 1.00 0.00 O ATOM 1505 CB GLU A 95 6.227 7.036 -7.424 1.00 0.00 C ATOM 1506 CG GLU A 95 6.982 5.752 -7.731 1.00 0.00 C ATOM 1507 CD GLU A 95 7.336 5.620 -9.199 1.00 0.00 C ATOM 1508 OE1 GLU A 95 8.415 6.108 -9.596 1.00 0.00 O ATOM 1509 OE2 GLU A 95 6.535 5.028 -9.953 1.00 0.00 O ATOM 0 H GLU A 95 7.620 6.160 -5.455 1.00 0.00 H new ATOM 0 HA GLU A 95 5.556 8.225 -5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.313 7.061 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.833 7.887 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.895 5.721 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.376 4.898 -7.429 1.00 0.00 H new ATOM 1516 N HIS A 96 3.937 6.666 -4.570 1.00 0.00 N ATOM 1517 CA HIS A 96 2.885 5.813 -4.031 1.00 0.00 C ATOM 1518 C HIS A 96 1.744 5.647 -5.030 1.00 0.00 C ATOM 1519 O HIS A 96 0.936 4.726 -4.913 1.00 0.00 O ATOM 1520 CB HIS A 96 2.350 6.389 -2.719 1.00 0.00 C ATOM 1521 CG HIS A 96 3.401 6.568 -1.670 1.00 0.00 C ATOM 1522 ND1 HIS A 96 3.519 5.742 -0.573 1.00 0.00 N ATOM 1523 CD2 HIS A 96 4.387 7.489 -1.552 1.00 0.00 C ATOM 1524 CE1 HIS A 96 4.530 6.146 0.175 1.00 0.00 C ATOM 1525 NE2 HIS A 96 5.074 7.205 -0.397 1.00 0.00 N ATOM 0 H HIS A 96 4.026 7.570 -4.105 1.00 0.00 H new ATOM 0 HA HIS A 96 3.318 4.831 -3.839 1.00 0.00 H new ATOM 0 HB2 HIS A 96 1.881 7.352 -2.919 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.572 5.730 -2.333 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.594 8.297 -2.238 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.856 5.688 1.097 1.00 0.00 H new ATOM 0 HE2 HIS A 96 5.874 7.727 -0.039 1.00 0.00 H new ATOM 1534 N ARG A 97 1.686 6.539 -6.012 1.00 0.00 N ATOM 1535 CA ARG A 97 0.654 6.474 -7.039 1.00 0.00 C ATOM 1536 C ARG A 97 0.800 5.205 -7.873 1.00 0.00 C ATOM 1537 O ARG A 97 -0.124 4.394 -7.955 1.00 0.00 O ATOM 1538 CB ARG A 97 0.727 7.704 -7.946 1.00 0.00 C ATOM 1539 CG ARG A 97 -0.353 7.736 -9.016 1.00 0.00 C ATOM 1540 CD ARG A 97 -0.252 8.988 -9.873 1.00 0.00 C ATOM 1541 NE ARG A 97 -1.290 9.032 -10.900 1.00 0.00 N ATOM 1542 CZ ARG A 97 -1.516 10.088 -11.676 1.00 0.00 C ATOM 1543 NH1 ARG A 97 -0.780 11.183 -11.542 1.00 0.00 N ATOM 1544 NH2 ARG A 97 -2.479 10.050 -12.586 1.00 0.00 N ATOM 0 H ARG A 97 2.340 7.314 -6.118 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.317 6.455 -6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.647 8.602 -7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.705 7.733 -8.427 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.266 6.853 -9.649 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.335 7.695 -8.545 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.333 9.870 -9.238 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.729 9.025 -10.347 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.874 8.206 -11.029 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.038 11.217 -10.842 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -0.955 11.992 -12.139 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -3.048 9.210 -12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.651 10.861 -13.180 1.00 0.00 H new ATOM 1558 N LYS A 98 1.962 5.044 -8.497 1.00 0.00 N ATOM 1559 CA LYS A 98 2.198 3.915 -9.387 1.00 0.00 C ATOM 1560 C LYS A 98 2.408 2.627 -8.599 1.00 0.00 C ATOM 1561 O LYS A 98 2.088 1.538 -9.075 1.00 0.00 O ATOM 1562 CB LYS A 98 3.412 4.186 -10.281 1.00 0.00 C ATOM 1563 CG LYS A 98 3.223 5.367 -11.219 1.00 0.00 C ATOM 1564 CD LYS A 98 4.418 5.554 -12.142 1.00 0.00 C ATOM 1565 CE LYS A 98 4.435 4.527 -13.265 1.00 0.00 C ATOM 1566 NZ LYS A 98 4.706 3.150 -12.765 1.00 0.00 N ATOM 0 H LYS A 98 2.753 5.680 -8.403 1.00 0.00 H new ATOM 0 HA LYS A 98 1.314 3.792 -10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 98 4.283 4.368 -9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.625 3.294 -10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.323 5.217 -11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.070 6.274 -10.635 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.394 6.557 -12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.339 5.475 -11.564 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.476 4.541 -13.783 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.196 4.803 -13.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.299 2.642 -13.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.201 3.203 -11.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.807 2.642 -12.642 1.00 0.00 H new ATOM 1580 N ILE A 99 2.958 2.755 -7.398 1.00 0.00 N ATOM 1581 CA ILE A 99 3.306 1.593 -6.589 1.00 0.00 C ATOM 1582 C ILE A 99 2.055 0.889 -6.071 1.00 0.00 C ATOM 1583 O ILE A 99 1.990 -0.340 -6.055 1.00 0.00 O ATOM 1584 CB ILE A 99 4.243 1.983 -5.416 1.00 0.00 C ATOM 1585 CG1 ILE A 99 5.108 0.791 -5.000 1.00 0.00 C ATOM 1586 CG2 ILE A 99 3.462 2.512 -4.225 1.00 0.00 C ATOM 1587 CD1 ILE A 99 4.364 -0.272 -4.218 1.00 0.00 C ATOM 0 H ILE A 99 3.173 3.652 -6.962 1.00 0.00 H new ATOM 0 HA ILE A 99 3.845 0.896 -7.231 1.00 0.00 H new ATOM 0 HB ILE A 99 4.893 2.784 -5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.535 0.337 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.941 1.153 -4.398 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.153 2.774 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.899 3.397 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.772 1.745 -3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.048 -1.081 -3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.960 0.164 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.548 -0.665 -4.824 1.00 0.00 H new ATOM 1599 N TYR A 100 1.056 1.666 -5.668 1.00 0.00 N ATOM 1600 CA TYR A 100 -0.171 1.099 -5.123 1.00 0.00 C ATOM 1601 C TYR A 100 -1.172 0.766 -6.224 1.00 0.00 C ATOM 1602 O TYR A 100 -2.033 -0.096 -6.046 1.00 0.00 O ATOM 1603 CB TYR A 100 -0.794 2.056 -4.108 1.00 0.00 C ATOM 1604 CG TYR A 100 -0.218 1.902 -2.719 1.00 0.00 C ATOM 1605 CD1 TYR A 100 0.956 1.189 -2.514 1.00 0.00 C ATOM 1606 CD2 TYR A 100 -0.848 2.458 -1.613 1.00 0.00 C ATOM 1607 CE1 TYR A 100 1.486 1.035 -1.253 1.00 0.00 C ATOM 1608 CE2 TYR A 100 -0.322 2.307 -0.344 1.00 0.00 C ATOM 1609 CZ TYR A 100 0.845 1.595 -0.170 1.00 0.00 C ATOM 1610 OH TYR A 100 1.373 1.441 1.091 1.00 0.00 O ATOM 0 H TYR A 100 1.071 2.685 -5.708 1.00 0.00 H new ATOM 0 HA TYR A 100 0.089 0.168 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.645 3.082 -4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.870 1.886 -4.070 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.462 0.747 -3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.763 3.017 -1.747 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.400 0.478 -1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.823 2.745 0.507 1.00 0.00 H new ATOM 0 HH TYR A 100 1.052 2.163 1.671 1.00 0.00 H new ATOM 1620 N THR A 101 -1.054 1.441 -7.363 1.00 0.00 N ATOM 1621 CA THR A 101 -1.930 1.165 -8.495 1.00 0.00 C ATOM 1622 C THR A 101 -1.574 -0.167 -9.147 1.00 0.00 C ATOM 1623 O THR A 101 -2.431 -0.826 -9.737 1.00 0.00 O ATOM 1624 CB THR A 101 -1.871 2.283 -9.553 1.00 0.00 C ATOM 1625 OG1 THR A 101 -2.956 2.137 -10.479 1.00 0.00 O ATOM 1626 CG2 THR A 101 -0.555 2.246 -10.310 1.00 0.00 C ATOM 0 H THR A 101 -0.367 2.177 -7.526 1.00 0.00 H new ATOM 0 HA THR A 101 -2.945 1.116 -8.102 1.00 0.00 H new ATOM 0 HB THR A 101 -1.951 3.241 -9.039 1.00 0.00 H new ATOM 0 HG1 THR A 101 -2.913 2.852 -11.148 1.00 0.00 H new ATOM 0 HG21 THR A 101 -0.539 3.045 -11.051 1.00 0.00 H new ATOM 0 HG22 THR A 101 0.271 2.382 -9.611 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.451 1.284 -10.812 1.00 0.00 H new ATOM 1634 N MET A 102 -0.310 -0.571 -9.022 1.00 0.00 N ATOM 1635 CA MET A 102 0.117 -1.880 -9.504 1.00 0.00 C ATOM 1636 C MET A 102 -0.031 -2.940 -8.415 1.00 0.00 C ATOM 1637 O MET A 102 -0.132 -4.131 -8.710 1.00 0.00 O ATOM 1638 CB MET A 102 1.562 -1.831 -10.007 1.00 0.00 C ATOM 1639 CG MET A 102 2.571 -1.400 -8.957 1.00 0.00 C ATOM 1640 SD MET A 102 4.266 -1.436 -9.575 1.00 0.00 S ATOM 1641 CE MET A 102 5.145 -0.657 -8.223 1.00 0.00 C ATOM 0 H MET A 102 0.430 -0.014 -8.594 1.00 0.00 H new ATOM 0 HA MET A 102 -0.529 -2.154 -10.338 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.839 -2.817 -10.378 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.618 -1.145 -10.852 1.00 0.00 H new ATOM 0 HG2 MET A 102 2.332 -0.392 -8.620 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.490 -2.054 -8.089 1.00 0.00 H new ATOM 0 HE1 MET A 102 6.066 -1.205 -8.024 1.00 0.00 H new ATOM 0 HE2 MET A 102 5.386 0.372 -8.490 1.00 0.00 H new ATOM 0 HE3 MET A 102 4.519 -0.663 -7.331 1.00 0.00 H new ATOM 1651 N ILE A 103 -0.094 -2.499 -7.159 1.00 0.00 N ATOM 1652 CA ILE A 103 -0.547 -3.367 -6.076 1.00 0.00 C ATOM 1653 C ILE A 103 -1.903 -3.982 -6.409 1.00 0.00 C ATOM 1654 O ILE A 103 -2.057 -5.203 -6.423 1.00 0.00 O ATOM 1655 CB ILE A 103 -0.652 -2.604 -4.736 1.00 0.00 C ATOM 1656 CG1 ILE A 103 0.742 -2.278 -4.195 1.00 0.00 C ATOM 1657 CG2 ILE A 103 -1.444 -3.413 -3.717 1.00 0.00 C ATOM 1658 CD1 ILE A 103 1.588 -3.500 -3.906 1.00 0.00 C ATOM 0 H ILE A 103 0.161 -1.555 -6.869 1.00 0.00 H new ATOM 0 HA ILE A 103 0.197 -4.156 -5.969 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.181 -1.668 -4.915 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.263 -1.649 -4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.639 -1.695 -3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.506 -2.858 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.449 -3.595 -4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.945 -4.366 -3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.561 -3.188 -3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.089 -4.120 -3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.724 -4.074 -4.823 1.00 0.00 H new ATOM 1670 N TYR A 104 -2.880 -3.125 -6.692 1.00 0.00 N ATOM 1671 CA TYR A 104 -4.200 -3.580 -7.114 1.00 0.00 C ATOM 1672 C TYR A 104 -4.231 -3.814 -8.621 1.00 0.00 C ATOM 1673 O TYR A 104 -4.584 -2.921 -9.392 1.00 0.00 O ATOM 1674 CB TYR A 104 -5.266 -2.556 -6.719 1.00 0.00 C ATOM 1675 CG TYR A 104 -5.331 -2.292 -5.230 1.00 0.00 C ATOM 1676 CD1 TYR A 104 -4.542 -1.309 -4.644 1.00 0.00 C ATOM 1677 CD2 TYR A 104 -6.179 -3.026 -4.412 1.00 0.00 C ATOM 1678 CE1 TYR A 104 -4.598 -1.067 -3.285 1.00 0.00 C ATOM 1679 CE2 TYR A 104 -6.240 -2.790 -3.052 1.00 0.00 C ATOM 1680 CZ TYR A 104 -5.448 -1.810 -2.493 1.00 0.00 C ATOM 1681 OH TYR A 104 -5.505 -1.572 -1.139 1.00 0.00 O ATOM 0 H TYR A 104 -2.782 -2.111 -6.637 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.414 -4.523 -6.612 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.067 -1.618 -7.237 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -6.240 -2.908 -7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -3.875 -0.725 -5.261 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.802 -3.794 -4.846 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -3.979 -0.299 -2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.905 -3.371 -2.430 1.00 0.00 H new ATOM 0 HH TYR A 104 -4.732 -1.034 -0.869 1.00 0.00 H new