USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00993 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 133:sc= -4.36! (180deg=-4.72!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -119:sc= -1.18 (180deg=-2.48) USER MOD Single : A 65 SER OG : rot 180:sc= 0.062 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= 0.284 (180deg=-0.153) USER MOD Single : A 78 HIS : no HD1:sc= -0.24 K(o=-0.24,f=-0.94) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -111:sc= 0.588 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 358 N VAL A 25 -6.249 -0.070 4.036 1.00 0.00 N ATOM 359 CA VAL A 25 -4.821 -0.028 4.331 1.00 0.00 C ATOM 360 C VAL A 25 -4.563 -0.258 5.817 1.00 0.00 C ATOM 361 O VAL A 25 -5.277 0.270 6.671 1.00 0.00 O ATOM 362 CB VAL A 25 -4.197 1.317 3.911 1.00 0.00 C ATOM 363 CG1 VAL A 25 -2.686 1.280 4.077 1.00 0.00 C ATOM 364 CG2 VAL A 25 -4.575 1.657 2.477 1.00 0.00 C ATOM 0 HA VAL A 25 -4.354 -0.827 3.755 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.592 2.098 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.263 2.238 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.439 1.087 5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.271 0.488 3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.125 2.610 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.212 0.875 1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.659 1.730 2.394 1.00 0.00 H new ATOM 374 N THR A 26 -3.536 -1.045 6.118 1.00 0.00 N ATOM 375 CA THR A 26 -3.183 -1.353 7.499 1.00 0.00 C ATOM 376 C THR A 26 -2.018 -0.489 7.974 1.00 0.00 C ATOM 377 O THR A 26 -2.176 0.343 8.868 1.00 0.00 O ATOM 378 CB THR A 26 -2.825 -2.835 7.635 1.00 0.00 C ATOM 379 OG1 THR A 26 -3.096 -3.528 6.429 1.00 0.00 O ATOM 380 CG2 THR A 26 -3.577 -3.534 8.747 1.00 0.00 C ATOM 0 H THR A 26 -2.932 -1.482 5.422 1.00 0.00 H new ATOM 0 HA THR A 26 -4.048 -1.134 8.125 1.00 0.00 H new ATOM 0 HB THR A 26 -1.761 -2.855 7.872 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.859 -4.473 6.535 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.276 -4.581 8.788 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.349 -3.053 9.698 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.648 -3.472 8.557 1.00 0.00 H new ATOM 388 N LYS A 27 -0.848 -0.694 7.376 1.00 0.00 N ATOM 389 CA LYS A 27 0.343 0.066 7.747 1.00 0.00 C ATOM 390 C LYS A 27 0.725 1.057 6.653 1.00 0.00 C ATOM 391 O LYS A 27 0.489 0.812 5.470 1.00 0.00 O ATOM 392 CB LYS A 27 1.511 -0.881 8.024 1.00 0.00 C ATOM 393 CG LYS A 27 2.362 -0.467 9.211 1.00 0.00 C ATOM 394 CD LYS A 27 3.620 0.262 8.768 1.00 0.00 C ATOM 395 CE LYS A 27 3.828 1.545 9.554 1.00 0.00 C ATOM 396 NZ LYS A 27 4.480 1.292 10.868 1.00 0.00 N ATOM 0 H LYS A 27 -0.699 -1.378 6.634 1.00 0.00 H new ATOM 0 HA LYS A 27 0.115 0.627 8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.121 -1.884 8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.142 -0.935 7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.780 0.177 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.636 -1.350 9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.484 -0.390 8.899 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.552 0.493 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.441 2.232 8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.866 2.033 9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.604 2.193 11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.883 0.656 11.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.409 0.850 10.715 1.00 0.00 H new ATOM 410 N THR A 28 1.316 2.176 7.057 1.00 0.00 N ATOM 411 CA THR A 28 1.737 3.206 6.114 1.00 0.00 C ATOM 412 C THR A 28 3.140 3.702 6.446 1.00 0.00 C ATOM 413 O THR A 28 3.373 4.260 7.520 1.00 0.00 O ATOM 414 CB THR A 28 0.752 4.378 6.134 1.00 0.00 C ATOM 415 OG1 THR A 28 -0.576 3.920 5.938 1.00 0.00 O ATOM 416 CG2 THR A 28 1.038 5.424 5.079 1.00 0.00 C ATOM 0 H THR A 28 1.515 2.393 8.034 1.00 0.00 H new ATOM 0 HA THR A 28 1.750 2.768 5.116 1.00 0.00 H new ATOM 0 HB THR A 28 0.872 4.837 7.115 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.191 4.683 5.955 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.302 6.224 5.151 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.036 5.834 5.234 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.983 4.968 4.090 1.00 0.00 H new ATOM 424 N LEU A 29 4.074 3.492 5.524 1.00 0.00 N ATOM 425 CA LEU A 29 5.452 3.918 5.724 1.00 0.00 C ATOM 426 C LEU A 29 5.756 5.177 4.925 1.00 0.00 C ATOM 427 O LEU A 29 5.831 5.144 3.696 1.00 0.00 O ATOM 428 CB LEU A 29 6.418 2.803 5.329 1.00 0.00 C ATOM 429 CG LEU A 29 7.832 2.968 5.881 1.00 0.00 C ATOM 430 CD1 LEU A 29 7.865 2.639 7.365 1.00 0.00 C ATOM 431 CD2 LEU A 29 8.814 2.097 5.112 1.00 0.00 C ATOM 0 H LEU A 29 3.900 3.029 4.632 1.00 0.00 H new ATOM 0 HA LEU A 29 5.583 4.142 6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.015 1.851 5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.469 2.752 4.241 1.00 0.00 H new ATOM 0 HG LEU A 29 8.132 4.008 5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.880 2.762 7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.195 3.311 7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.544 1.608 7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.816 2.229 5.521 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.521 1.051 5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.810 2.386 4.061 1.00 0.00 H new ATOM 443 N ASP A 30 5.929 6.286 5.633 1.00 0.00 N ATOM 444 CA ASP A 30 6.234 7.562 4.998 1.00 0.00 C ATOM 445 C ASP A 30 7.508 8.159 5.584 1.00 0.00 C ATOM 446 O ASP A 30 7.561 8.493 6.767 1.00 0.00 O ATOM 447 CB ASP A 30 5.071 8.539 5.176 1.00 0.00 C ATOM 448 CG ASP A 30 4.291 8.286 6.451 1.00 0.00 C ATOM 449 OD1 ASP A 30 4.914 8.260 7.533 1.00 0.00 O ATOM 450 OD2 ASP A 30 3.057 8.113 6.367 1.00 0.00 O ATOM 0 H ASP A 30 5.863 6.327 6.650 1.00 0.00 H new ATOM 0 HA ASP A 30 6.386 7.386 3.933 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.456 9.559 5.185 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.400 8.459 4.321 1.00 0.00 H new ATOM 455 N VAL A 31 8.537 8.279 4.752 1.00 0.00 N ATOM 456 CA VAL A 31 9.814 8.825 5.198 1.00 0.00 C ATOM 457 C VAL A 31 10.397 9.784 4.166 1.00 0.00 C ATOM 458 O VAL A 31 11.584 9.719 3.844 1.00 0.00 O ATOM 459 CB VAL A 31 10.839 7.709 5.486 1.00 0.00 C ATOM 460 CG1 VAL A 31 10.878 7.391 6.974 1.00 0.00 C ATOM 461 CG2 VAL A 31 10.527 6.461 4.674 1.00 0.00 C ATOM 0 H VAL A 31 8.513 8.007 3.769 1.00 0.00 H new ATOM 0 HA VAL A 31 9.615 9.369 6.121 1.00 0.00 H new ATOM 0 HB VAL A 31 11.824 8.066 5.186 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.607 6.602 7.158 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.163 8.284 7.530 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.893 7.059 7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.264 5.689 4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.532 6.098 4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.560 6.701 3.611 1.00 0.00 H new ATOM 471 N ARG A 32 9.564 10.697 3.675 1.00 0.00 N ATOM 472 CA ARG A 32 9.999 11.670 2.680 1.00 0.00 C ATOM 473 C ARG A 32 10.864 12.769 3.303 1.00 0.00 C ATOM 474 O ARG A 32 11.063 13.824 2.699 1.00 0.00 O ATOM 475 CB ARG A 32 8.784 12.299 1.996 1.00 0.00 C ATOM 476 CG ARG A 32 7.795 12.919 2.969 1.00 0.00 C ATOM 477 CD ARG A 32 7.354 14.300 2.511 1.00 0.00 C ATOM 478 NE ARG A 32 8.468 15.242 2.459 1.00 0.00 N ATOM 479 CZ ARG A 32 8.793 16.057 3.459 1.00 0.00 C ATOM 480 NH1 ARG A 32 8.092 16.043 4.585 1.00 0.00 N ATOM 481 NH2 ARG A 32 9.820 16.886 3.333 1.00 0.00 N ATOM 0 H ARG A 32 8.585 10.783 3.950 1.00 0.00 H new ATOM 0 HA ARG A 32 10.604 11.141 1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.125 13.065 1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.273 11.537 1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.924 12.271 3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.251 12.990 3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.896 14.225 1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.590 14.680 3.189 1.00 0.00 H new ATOM 0 HE ARG A 32 9.029 15.277 1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.302 15.406 4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.343 16.669 5.350 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.362 16.899 2.469 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.068 17.511 4.100 1.00 0.00 H new ATOM 631 N THR A 43 12.588 -0.504 4.697 1.00 0.00 N ATOM 632 CA THR A 43 11.717 -1.348 3.887 1.00 0.00 C ATOM 633 C THR A 43 12.253 -2.774 3.811 1.00 0.00 C ATOM 634 O THR A 43 11.483 -3.734 3.816 1.00 0.00 O ATOM 635 CB THR A 43 11.571 -0.768 2.477 1.00 0.00 C ATOM 636 OG1 THR A 43 10.658 -1.536 1.713 1.00 0.00 O ATOM 637 CG2 THR A 43 12.874 -0.706 1.710 1.00 0.00 C ATOM 0 HA THR A 43 10.737 -1.374 4.364 1.00 0.00 H new ATOM 0 HB THR A 43 11.210 0.250 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.576 -1.150 0.816 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.694 -0.285 0.721 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.584 -0.078 2.248 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.284 -1.711 1.608 1.00 0.00 H new ATOM 645 N LYS A 44 13.575 -2.903 3.747 1.00 0.00 N ATOM 646 CA LYS A 44 14.218 -4.212 3.667 1.00 0.00 C ATOM 647 C LYS A 44 13.708 -5.138 4.766 1.00 0.00 C ATOM 648 O LYS A 44 13.437 -6.315 4.525 1.00 0.00 O ATOM 649 CB LYS A 44 15.738 -4.058 3.771 1.00 0.00 C ATOM 650 CG LYS A 44 16.488 -5.381 3.791 1.00 0.00 C ATOM 651 CD LYS A 44 16.657 -5.949 2.390 1.00 0.00 C ATOM 652 CE LYS A 44 16.166 -7.385 2.309 1.00 0.00 C ATOM 653 NZ LYS A 44 17.294 -8.357 2.264 1.00 0.00 N ATOM 0 H LYS A 44 14.224 -2.116 3.749 1.00 0.00 H new ATOM 0 HA LYS A 44 13.969 -4.657 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.092 -3.463 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.977 -3.502 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.468 -5.238 4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.949 -6.096 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.106 -5.334 1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.708 -5.906 2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.534 -7.602 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.546 -7.507 1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.917 -9.325 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.883 -8.167 1.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.871 -8.259 3.123 1.00 0.00 H new ATOM 667 N ARG A 45 13.567 -4.595 5.971 1.00 0.00 N ATOM 668 CA ARG A 45 13.078 -5.370 7.105 1.00 0.00 C ATOM 669 C ARG A 45 11.602 -5.709 6.931 1.00 0.00 C ATOM 670 O ARG A 45 11.147 -6.776 7.343 1.00 0.00 O ATOM 671 CB ARG A 45 13.291 -4.599 8.404 1.00 0.00 C ATOM 672 CG ARG A 45 13.448 -5.492 9.625 1.00 0.00 C ATOM 673 CD ARG A 45 12.103 -5.847 10.238 1.00 0.00 C ATOM 674 NE ARG A 45 12.222 -6.218 11.646 1.00 0.00 N ATOM 675 CZ ARG A 45 12.800 -7.339 12.069 1.00 0.00 C ATOM 676 NH1 ARG A 45 13.311 -8.197 11.196 1.00 0.00 N ATOM 677 NH2 ARG A 45 12.868 -7.603 13.366 1.00 0.00 N ATOM 0 H ARG A 45 13.784 -3.622 6.187 1.00 0.00 H new ATOM 0 HA ARG A 45 13.642 -6.302 7.151 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.179 -3.975 8.304 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.446 -3.929 8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.972 -6.405 9.343 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.065 -4.987 10.368 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.426 -4.998 10.143 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.658 -6.673 9.682 1.00 0.00 H new ATOM 0 HE ARG A 45 11.840 -5.581 12.345 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.262 -7.998 10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.753 -9.056 11.524 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.477 -6.946 14.041 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.311 -8.463 13.689 1.00 0.00 H new ATOM 691 N ALA A 46 10.862 -4.794 6.311 1.00 0.00 N ATOM 692 CA ALA A 46 9.434 -4.990 6.076 1.00 0.00 C ATOM 693 C ALA A 46 9.178 -6.226 5.218 1.00 0.00 C ATOM 694 O ALA A 46 8.326 -7.052 5.546 1.00 0.00 O ATOM 695 CB ALA A 46 8.830 -3.757 5.422 1.00 0.00 C ATOM 0 H ALA A 46 11.228 -3.908 5.962 1.00 0.00 H new ATOM 0 HA ALA A 46 8.954 -5.147 7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.765 -3.919 5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.967 -2.895 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.324 -3.572 4.468 1.00 0.00 H new ATOM 701 N LEU A 47 9.913 -6.344 4.114 1.00 0.00 N ATOM 702 CA LEU A 47 9.758 -7.483 3.214 1.00 0.00 C ATOM 703 C LEU A 47 10.079 -8.790 3.930 1.00 0.00 C ATOM 704 O LEU A 47 9.443 -9.816 3.684 1.00 0.00 O ATOM 705 CB LEU A 47 10.656 -7.332 1.984 1.00 0.00 C ATOM 706 CG LEU A 47 10.193 -6.311 0.931 1.00 0.00 C ATOM 707 CD1 LEU A 47 8.674 -6.231 0.868 1.00 0.00 C ATOM 708 CD2 LEU A 47 10.789 -4.943 1.219 1.00 0.00 C ATOM 0 H LEU A 47 10.619 -5.668 3.823 1.00 0.00 H new ATOM 0 HA LEU A 47 8.718 -7.508 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.654 -7.050 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.745 -8.306 1.502 1.00 0.00 H new ATOM 0 HG LEU A 47 10.549 -6.649 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.379 -5.501 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.269 -7.208 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.285 -5.927 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.451 -4.233 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 47 10.467 -4.606 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.877 -5.008 1.195 1.00 0.00 H new ATOM 720 N GLN A 48 11.062 -8.746 4.822 1.00 0.00 N ATOM 721 CA GLN A 48 11.464 -9.929 5.575 1.00 0.00 C ATOM 722 C GLN A 48 10.447 -10.258 6.664 1.00 0.00 C ATOM 723 O GLN A 48 10.514 -11.315 7.290 1.00 0.00 O ATOM 724 CB GLN A 48 12.843 -9.718 6.202 1.00 0.00 C ATOM 725 CG GLN A 48 13.931 -10.585 5.589 1.00 0.00 C ATOM 726 CD GLN A 48 15.239 -10.505 6.350 1.00 0.00 C ATOM 727 OE1 GLN A 48 15.650 -9.431 6.789 1.00 0.00 O ATOM 728 NE2 GLN A 48 15.901 -11.644 6.510 1.00 0.00 N ATOM 0 H GLN A 48 11.595 -7.905 5.042 1.00 0.00 H new ATOM 0 HA GLN A 48 11.510 -10.768 4.880 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.124 -8.670 6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.783 -9.927 7.270 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.593 -11.621 5.563 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.096 -10.278 4.556 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.523 -12.511 6.129 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.788 -11.652 7.014 1.00 0.00 H new ATOM 737 N ASN A 49 9.506 -9.345 6.884 1.00 0.00 N ATOM 738 CA ASN A 49 8.480 -9.538 7.902 1.00 0.00 C ATOM 739 C ASN A 49 7.100 -9.164 7.367 1.00 0.00 C ATOM 740 O ASN A 49 6.359 -8.413 8.004 1.00 0.00 O ATOM 741 CB ASN A 49 8.802 -8.701 9.142 1.00 0.00 C ATOM 742 CG ASN A 49 8.621 -9.480 10.430 1.00 0.00 C ATOM 743 OD1 ASN A 49 9.590 -9.943 11.031 1.00 0.00 O ATOM 744 ND2 ASN A 49 7.373 -9.627 10.863 1.00 0.00 N ATOM 0 H ASN A 49 9.433 -8.466 6.372 1.00 0.00 H new ATOM 0 HA ASN A 49 8.469 -10.593 8.174 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.830 -8.344 9.079 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.159 -7.821 9.160 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.189 -10.140 11.725 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.599 -9.226 10.333 1.00 0.00 H new ATOM 751 N MET A 50 6.759 -9.695 6.197 1.00 0.00 N ATOM 752 CA MET A 50 5.464 -9.422 5.585 1.00 0.00 C ATOM 753 C MET A 50 4.417 -10.424 6.059 1.00 0.00 C ATOM 754 O MET A 50 4.728 -11.591 6.303 1.00 0.00 O ATOM 755 CB MET A 50 5.571 -9.472 4.059 1.00 0.00 C ATOM 756 CG MET A 50 6.063 -10.804 3.528 1.00 0.00 C ATOM 757 SD MET A 50 6.242 -10.813 1.734 1.00 0.00 S ATOM 758 CE MET A 50 7.273 -9.369 1.493 1.00 0.00 C ATOM 0 H MET A 50 7.360 -10.316 5.655 1.00 0.00 H new ATOM 0 HA MET A 50 5.155 -8.422 5.889 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.593 -9.257 3.627 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.247 -8.685 3.725 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.023 -11.041 3.986 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.366 -11.588 3.824 1.00 0.00 H new ATOM 0 HE1 MET A 50 8.091 -9.615 0.816 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.677 -8.564 1.065 1.00 0.00 H new ATOM 0 HE3 MET A 50 7.680 -9.048 2.452 1.00 0.00 H new ATOM 768 N LYS A 51 3.176 -9.966 6.176 1.00 0.00 N ATOM 769 CA LYS A 51 2.082 -10.826 6.605 1.00 0.00 C ATOM 770 C LYS A 51 1.240 -11.256 5.403 1.00 0.00 C ATOM 771 O LYS A 51 1.152 -10.529 4.414 1.00 0.00 O ATOM 772 CB LYS A 51 1.215 -10.094 7.627 1.00 0.00 C ATOM 773 CG LYS A 51 0.907 -10.910 8.872 1.00 0.00 C ATOM 774 CD LYS A 51 1.315 -10.172 10.136 1.00 0.00 C ATOM 775 CE LYS A 51 2.765 -10.447 10.499 1.00 0.00 C ATOM 776 NZ LYS A 51 3.397 -9.281 11.178 1.00 0.00 N ATOM 0 H LYS A 51 2.903 -9.003 5.979 1.00 0.00 H new ATOM 0 HA LYS A 51 2.498 -11.719 7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.719 -9.174 7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.277 -9.805 7.153 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.159 -11.133 8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.431 -11.865 8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.171 -9.101 9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.669 -10.475 10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.817 -11.319 11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.326 -10.690 9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.385 -9.508 11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.370 -8.455 10.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.877 -9.065 12.053 1.00 0.00 H new ATOM 790 N PRO A 52 0.626 -12.456 5.470 1.00 0.00 N ATOM 791 CA PRO A 52 -0.184 -13.013 4.392 1.00 0.00 C ATOM 792 C PRO A 52 -0.908 -11.964 3.548 1.00 0.00 C ATOM 793 O PRO A 52 -0.506 -11.683 2.421 1.00 0.00 O ATOM 794 CB PRO A 52 -1.193 -13.871 5.153 1.00 0.00 C ATOM 795 CG PRO A 52 -0.486 -14.311 6.398 1.00 0.00 C ATOM 796 CD PRO A 52 0.699 -13.391 6.603 1.00 0.00 C ATOM 0 HA PRO A 52 0.429 -13.549 3.667 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.091 -13.301 5.392 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.508 -14.728 4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.158 -14.267 7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.156 -15.346 6.305 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.637 -12.867 7.557 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.638 -13.944 6.604 1.00 0.00 H new ATOM 804 N GLY A 53 -2.018 -11.446 4.067 1.00 0.00 N ATOM 805 CA GLY A 53 -2.799 -10.467 3.333 1.00 0.00 C ATOM 806 C GLY A 53 -2.621 -9.057 3.850 1.00 0.00 C ATOM 807 O GLY A 53 -3.581 -8.426 4.293 1.00 0.00 O ATOM 0 H GLY A 53 -2.391 -11.688 4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.516 -10.500 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.854 -10.737 3.388 1.00 0.00 H new ATOM 811 N GLU A 54 -1.398 -8.553 3.773 1.00 0.00 N ATOM 812 CA GLU A 54 -1.101 -7.200 4.238 1.00 0.00 C ATOM 813 C GLU A 54 -1.297 -6.173 3.128 1.00 0.00 C ATOM 814 O GLU A 54 -1.132 -6.476 1.948 1.00 0.00 O ATOM 815 CB GLU A 54 0.332 -7.110 4.764 1.00 0.00 C ATOM 816 CG GLU A 54 0.423 -7.181 6.278 1.00 0.00 C ATOM 817 CD GLU A 54 1.832 -6.954 6.792 1.00 0.00 C ATOM 818 OE1 GLU A 54 2.762 -6.870 5.963 1.00 0.00 O ATOM 819 OE2 GLU A 54 2.005 -6.859 8.026 1.00 0.00 O ATOM 0 H GLU A 54 -0.595 -9.056 3.395 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.798 -6.977 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.921 -7.920 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.778 -6.176 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.242 -6.435 6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.071 -8.157 6.614 1.00 0.00 H new ATOM 826 N ILE A 55 -1.654 -4.956 3.526 1.00 0.00 N ATOM 827 CA ILE A 55 -1.833 -3.849 2.594 1.00 0.00 C ATOM 828 C ILE A 55 -1.176 -2.593 3.156 1.00 0.00 C ATOM 829 O ILE A 55 -1.679 -1.997 4.108 1.00 0.00 O ATOM 830 CB ILE A 55 -3.324 -3.565 2.322 1.00 0.00 C ATOM 831 CG1 ILE A 55 -4.058 -4.856 1.957 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.473 -2.536 1.212 1.00 0.00 C ATOM 833 CD1 ILE A 55 -4.987 -5.350 3.045 1.00 0.00 C ATOM 0 H ILE A 55 -1.827 -4.710 4.501 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.364 -4.131 1.651 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.770 -3.161 3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.633 -4.692 1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.325 -5.632 1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.531 -2.346 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.983 -1.608 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.012 -2.915 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.474 -6.269 2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.414 -5.546 3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.743 -4.592 3.250 1.00 0.00 H new ATOM 845 N LEU A 56 -0.040 -2.205 2.585 1.00 0.00 N ATOM 846 CA LEU A 56 0.701 -1.057 3.089 1.00 0.00 C ATOM 847 C LEU A 56 0.835 0.044 2.046 1.00 0.00 C ATOM 848 O LEU A 56 0.923 -0.221 0.848 1.00 0.00 O ATOM 849 CB LEU A 56 2.092 -1.493 3.555 1.00 0.00 C ATOM 850 CG LEU A 56 2.191 -2.945 4.022 1.00 0.00 C ATOM 851 CD1 LEU A 56 3.642 -3.333 4.262 1.00 0.00 C ATOM 852 CD2 LEU A 56 1.363 -3.152 5.278 1.00 0.00 C ATOM 0 H LEU A 56 0.384 -2.665 1.779 1.00 0.00 H new ATOM 0 HA LEU A 56 0.137 -0.652 3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.797 -1.341 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.406 -0.842 4.371 1.00 0.00 H new ATOM 0 HG LEU A 56 1.794 -3.590 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.691 -4.370 4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.206 -3.221 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.070 -2.686 5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.443 -4.191 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.731 -2.498 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.320 -2.916 5.069 1.00 0.00 H new ATOM 864 N GLU A 57 0.862 1.283 2.525 1.00 0.00 N ATOM 865 CA GLU A 57 1.015 2.445 1.661 1.00 0.00 C ATOM 866 C GLU A 57 2.336 3.148 1.957 1.00 0.00 C ATOM 867 O GLU A 57 2.645 3.442 3.111 1.00 0.00 O ATOM 868 CB GLU A 57 -0.155 3.413 1.862 1.00 0.00 C ATOM 869 CG GLU A 57 0.068 4.786 1.243 1.00 0.00 C ATOM 870 CD GLU A 57 -0.782 5.862 1.891 1.00 0.00 C ATOM 871 OE1 GLU A 57 -1.944 5.569 2.242 1.00 0.00 O ATOM 872 OE2 GLU A 57 -0.285 6.997 2.046 1.00 0.00 O ATOM 0 H GLU A 57 0.779 1.508 3.516 1.00 0.00 H new ATOM 0 HA GLU A 57 1.018 2.112 0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.055 2.974 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.336 3.532 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.120 5.055 1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.158 4.742 0.178 1.00 0.00 H new ATOM 879 N VAL A 58 3.115 3.403 0.914 1.00 0.00 N ATOM 880 CA VAL A 58 4.416 4.042 1.076 1.00 0.00 C ATOM 881 C VAL A 58 4.449 5.419 0.420 1.00 0.00 C ATOM 882 O VAL A 58 4.026 5.586 -0.723 1.00 0.00 O ATOM 883 CB VAL A 58 5.544 3.177 0.481 1.00 0.00 C ATOM 884 CG1 VAL A 58 6.885 3.551 1.094 1.00 0.00 C ATOM 885 CG2 VAL A 58 5.251 1.697 0.686 1.00 0.00 C ATOM 0 H VAL A 58 2.871 3.178 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 58 4.576 4.154 2.148 1.00 0.00 H new ATOM 0 HB VAL A 58 5.594 3.368 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.669 2.929 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.099 4.600 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.849 3.392 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.059 1.103 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.171 1.486 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.313 1.440 0.194 1.00 0.00 H new ATOM 895 N TRP A 59 4.969 6.401 1.154 1.00 0.00 N ATOM 896 CA TRP A 59 5.072 7.769 0.650 1.00 0.00 C ATOM 897 C TRP A 59 6.519 8.251 0.682 1.00 0.00 C ATOM 898 O TRP A 59 7.084 8.471 1.755 1.00 0.00 O ATOM 899 CB TRP A 59 4.192 8.708 1.482 1.00 0.00 C ATOM 900 CG TRP A 59 4.019 10.070 0.875 1.00 0.00 C ATOM 901 CD1 TRP A 59 3.853 10.365 -0.449 1.00 0.00 C ATOM 902 CD2 TRP A 59 3.985 11.322 1.571 1.00 0.00 C ATOM 903 NE1 TRP A 59 3.723 11.722 -0.618 1.00 0.00 N ATOM 904 CE2 TRP A 59 3.800 12.332 0.607 1.00 0.00 C ATOM 905 CE3 TRP A 59 4.096 11.689 2.917 1.00 0.00 C ATOM 906 CZ2 TRP A 59 3.725 13.681 0.946 1.00 0.00 C ATOM 907 CZ3 TRP A 59 4.020 13.029 3.251 1.00 0.00 C ATOM 908 CH2 TRP A 59 3.835 14.011 2.269 1.00 0.00 C ATOM 0 H TRP A 59 5.326 6.274 2.101 1.00 0.00 H new ATOM 0 HA TRP A 59 4.726 7.777 -0.384 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.211 8.251 1.613 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.628 8.815 2.475 1.00 0.00 H new ATOM 0 HD1 TRP A 59 3.828 9.637 -1.246 1.00 0.00 H new ATOM 0 HE1 TRP A 59 3.591 12.198 -1.510 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.238 10.939 3.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.585 14.440 0.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.105 13.323 4.287 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.778 15.049 2.562 1.00 0.00 H new ATOM 919 N ILE A 60 7.123 8.391 -0.497 1.00 0.00 N ATOM 920 CA ILE A 60 8.511 8.836 -0.597 1.00 0.00 C ATOM 921 C ILE A 60 8.798 9.452 -1.965 1.00 0.00 C ATOM 922 O ILE A 60 7.881 9.706 -2.745 1.00 0.00 O ATOM 923 CB ILE A 60 9.507 7.682 -0.348 1.00 0.00 C ATOM 924 CG1 ILE A 60 8.797 6.325 -0.416 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.190 7.858 1.000 1.00 0.00 C ATOM 926 CD1 ILE A 60 8.514 5.860 -1.828 1.00 0.00 C ATOM 0 H ILE A 60 6.674 8.203 -1.394 1.00 0.00 H new ATOM 0 HA ILE A 60 8.647 9.590 0.178 1.00 0.00 H new ATOM 0 HB ILE A 60 10.265 7.708 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.410 5.578 0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.857 6.388 0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.889 7.038 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.731 8.804 1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.440 7.858 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.011 4.894 -1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.875 6.587 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.452 5.764 -2.374 1.00 0.00 H new ATOM 938 N ASP A 61 10.077 9.697 -2.245 1.00 0.00 N ATOM 939 CA ASP A 61 10.483 10.292 -3.515 1.00 0.00 C ATOM 940 C ASP A 61 11.202 9.272 -4.394 1.00 0.00 C ATOM 941 O ASP A 61 11.500 9.542 -5.557 1.00 0.00 O ATOM 942 CB ASP A 61 11.393 11.498 -3.272 1.00 0.00 C ATOM 943 CG ASP A 61 11.805 11.634 -1.819 1.00 0.00 C ATOM 944 OD1 ASP A 61 11.074 12.299 -1.055 1.00 0.00 O ATOM 945 OD2 ASP A 61 12.859 11.077 -1.447 1.00 0.00 O ATOM 0 H ASP A 61 10.848 9.493 -1.610 1.00 0.00 H new ATOM 0 HA ASP A 61 9.582 10.621 -4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.285 11.406 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.878 12.406 -3.586 1.00 0.00 H new ATOM 950 N TYR A 62 11.484 8.103 -3.830 1.00 0.00 N ATOM 951 CA TYR A 62 12.164 7.042 -4.566 1.00 0.00 C ATOM 952 C TYR A 62 11.364 5.744 -4.499 1.00 0.00 C ATOM 953 O TYR A 62 11.075 5.244 -3.412 1.00 0.00 O ATOM 954 CB TYR A 62 13.568 6.818 -4.002 1.00 0.00 C ATOM 955 CG TYR A 62 14.622 6.598 -5.063 1.00 0.00 C ATOM 956 CD1 TYR A 62 15.250 7.672 -5.679 1.00 0.00 C ATOM 957 CD2 TYR A 62 14.994 5.314 -5.445 1.00 0.00 C ATOM 958 CE1 TYR A 62 16.215 7.476 -6.649 1.00 0.00 C ATOM 959 CE2 TYR A 62 15.958 5.109 -6.414 1.00 0.00 C ATOM 960 CZ TYR A 62 16.566 6.193 -7.012 1.00 0.00 C ATOM 961 OH TYR A 62 17.526 5.993 -7.977 1.00 0.00 O ATOM 0 H TYR A 62 11.253 7.865 -2.865 1.00 0.00 H new ATOM 0 HA TYR A 62 12.246 7.349 -5.609 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.849 7.680 -3.397 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.549 5.955 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 62 14.980 8.678 -5.395 1.00 0.00 H new ATOM 0 HD2 TYR A 62 14.522 4.463 -4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.691 8.323 -7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.234 4.105 -6.701 1.00 0.00 H new ATOM 0 HH TYR A 62 17.656 5.031 -8.114 1.00 0.00 H new ATOM 971 N PRO A 63 10.984 5.181 -5.662 1.00 0.00 N ATOM 972 CA PRO A 63 10.204 3.939 -5.721 1.00 0.00 C ATOM 973 C PRO A 63 10.910 2.782 -5.021 1.00 0.00 C ATOM 974 O PRO A 63 11.714 2.075 -5.627 1.00 0.00 O ATOM 975 CB PRO A 63 10.074 3.658 -7.221 1.00 0.00 C ATOM 976 CG PRO A 63 10.303 4.974 -7.882 1.00 0.00 C ATOM 977 CD PRO A 63 11.278 5.709 -7.007 1.00 0.00 C ATOM 0 HA PRO A 63 9.244 4.040 -5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.805 2.919 -7.549 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.089 3.261 -7.464 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.703 4.842 -8.887 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.370 5.530 -7.980 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.309 5.514 -7.300 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.131 6.788 -7.058 1.00 0.00 H new ATOM 985 N MET A 64 10.603 2.596 -3.741 1.00 0.00 N ATOM 986 CA MET A 64 11.201 1.522 -2.960 1.00 0.00 C ATOM 987 C MET A 64 10.715 0.165 -3.454 1.00 0.00 C ATOM 988 O MET A 64 11.303 -0.873 -3.142 1.00 0.00 O ATOM 989 CB MET A 64 10.865 1.692 -1.478 1.00 0.00 C ATOM 990 CG MET A 64 11.560 2.877 -0.828 1.00 0.00 C ATOM 991 SD MET A 64 11.866 2.624 0.930 1.00 0.00 S ATOM 992 CE MET A 64 10.374 3.320 1.637 1.00 0.00 C ATOM 0 H MET A 64 9.943 3.176 -3.223 1.00 0.00 H new ATOM 0 HA MET A 64 12.283 1.570 -3.084 1.00 0.00 H new ATOM 0 HB2 MET A 64 9.787 1.810 -1.370 1.00 0.00 H new ATOM 0 HB3 MET A 64 11.141 0.782 -0.945 1.00 0.00 H new ATOM 0 HG2 MET A 64 12.507 3.060 -1.335 1.00 0.00 H new ATOM 0 HG3 MET A 64 10.949 3.770 -0.962 1.00 0.00 H new ATOM 0 HE1 MET A 64 10.634 4.158 2.284 1.00 0.00 H new ATOM 0 HE2 MET A 64 9.721 3.669 0.837 1.00 0.00 H new ATOM 0 HE3 MET A 64 9.858 2.558 2.220 1.00 0.00 H new ATOM 1002 N SER A 65 9.641 0.182 -4.236 1.00 0.00 N ATOM 1003 CA SER A 65 9.073 -1.041 -4.787 1.00 0.00 C ATOM 1004 C SER A 65 10.057 -1.716 -5.734 1.00 0.00 C ATOM 1005 O SER A 65 9.916 -2.896 -6.050 1.00 0.00 O ATOM 1006 CB SER A 65 7.766 -0.736 -5.521 1.00 0.00 C ATOM 1007 OG SER A 65 7.844 0.501 -6.209 1.00 0.00 O ATOM 0 H SER A 65 9.146 1.033 -4.503 1.00 0.00 H new ATOM 0 HA SER A 65 8.866 -1.721 -3.961 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.547 -1.536 -6.228 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.943 -0.708 -4.807 1.00 0.00 H new ATOM 0 HG SER A 65 6.997 0.672 -6.671 1.00 0.00 H new ATOM 1013 N LYS A 66 11.056 -0.960 -6.184 1.00 0.00 N ATOM 1014 CA LYS A 66 12.066 -1.488 -7.093 1.00 0.00 C ATOM 1015 C LYS A 66 12.774 -2.690 -6.478 1.00 0.00 C ATOM 1016 O LYS A 66 13.195 -3.603 -7.186 1.00 0.00 O ATOM 1017 CB LYS A 66 13.089 -0.405 -7.438 1.00 0.00 C ATOM 1018 CG LYS A 66 13.944 0.021 -6.253 1.00 0.00 C ATOM 1019 CD LYS A 66 15.167 0.801 -6.701 1.00 0.00 C ATOM 1020 CE LYS A 66 16.453 0.139 -6.232 1.00 0.00 C ATOM 1021 NZ LYS A 66 17.658 0.812 -6.790 1.00 0.00 N ATOM 0 H LYS A 66 11.186 0.020 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 66 11.564 -1.809 -8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.739 -0.770 -8.233 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.565 0.467 -7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.349 0.633 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.258 -0.860 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.172 0.879 -7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.116 1.817 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.496 0.161 -5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 66 16.452 -0.909 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.514 0.331 -6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.630 0.769 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.673 1.806 -6.485 1.00 0.00 H new ATOM 1035 N GLU A 67 12.906 -2.673 -5.157 1.00 0.00 N ATOM 1036 CA GLU A 67 13.544 -3.767 -4.434 1.00 0.00 C ATOM 1037 C GLU A 67 12.497 -4.763 -3.948 1.00 0.00 C ATOM 1038 O GLU A 67 12.770 -5.960 -3.811 1.00 0.00 O ATOM 1039 CB GLU A 67 14.339 -3.223 -3.245 1.00 0.00 C ATOM 1040 CG GLU A 67 15.837 -3.465 -3.351 1.00 0.00 C ATOM 1041 CD GLU A 67 16.361 -4.369 -2.253 1.00 0.00 C ATOM 1042 OE1 GLU A 67 16.090 -4.082 -1.068 1.00 0.00 O ATOM 1043 OE2 GLU A 67 17.045 -5.361 -2.578 1.00 0.00 O ATOM 0 H GLU A 67 12.579 -1.911 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 67 14.227 -4.278 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.158 -2.152 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.969 -3.685 -2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.062 -3.910 -4.321 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.359 -2.509 -3.310 1.00 0.00 H new ATOM 1050 N ARG A 68 11.289 -4.262 -3.713 1.00 0.00 N ATOM 1051 CA ARG A 68 10.190 -5.098 -3.249 1.00 0.00 C ATOM 1052 C ARG A 68 9.812 -6.144 -4.295 1.00 0.00 C ATOM 1053 O ARG A 68 9.518 -7.288 -3.955 1.00 0.00 O ATOM 1054 CB ARG A 68 8.974 -4.233 -2.913 1.00 0.00 C ATOM 1055 CG ARG A 68 9.132 -3.441 -1.626 1.00 0.00 C ATOM 1056 CD ARG A 68 7.983 -2.467 -1.424 1.00 0.00 C ATOM 1057 NE ARG A 68 7.837 -2.076 -0.026 1.00 0.00 N ATOM 1058 CZ ARG A 68 7.746 -0.814 0.381 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.783 0.176 -0.501 1.00 0.00 N ATOM 1060 NH2 ARG A 68 7.618 -0.540 1.672 1.00 0.00 N ATOM 0 H ARG A 68 11.047 -3.279 -3.837 1.00 0.00 H new ATOM 0 HA ARG A 68 10.520 -5.619 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.791 -3.542 -3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.095 -4.872 -2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.182 -4.127 -0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.074 -2.893 -1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.149 -1.579 -2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.056 -2.923 -1.772 1.00 0.00 H new ATOM 0 HE ARG A 68 7.803 -2.813 0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.882 -0.030 -1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.713 1.143 -0.185 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.589 -1.298 2.354 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.548 0.429 1.983 1.00 0.00 H new ATOM 1074 N ILE A 69 9.822 -5.746 -5.566 1.00 0.00 N ATOM 1075 CA ILE A 69 9.469 -6.657 -6.651 1.00 0.00 C ATOM 1076 C ILE A 69 10.391 -7.882 -6.679 1.00 0.00 C ATOM 1077 O ILE A 69 9.911 -9.011 -6.639 1.00 0.00 O ATOM 1078 CB ILE A 69 9.500 -5.956 -8.024 1.00 0.00 C ATOM 1079 CG1 ILE A 69 8.577 -4.735 -8.017 1.00 0.00 C ATOM 1080 CG2 ILE A 69 9.093 -6.922 -9.126 1.00 0.00 C ATOM 1081 CD1 ILE A 69 9.055 -3.611 -8.911 1.00 0.00 C ATOM 0 H ILE A 69 10.069 -4.804 -5.868 1.00 0.00 H new ATOM 0 HA ILE A 69 8.449 -6.988 -6.455 1.00 0.00 H new ATOM 0 HB ILE A 69 10.519 -5.622 -8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.580 -5.041 -8.334 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.487 -4.363 -6.996 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.121 -6.410 -10.088 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.784 -7.765 -9.144 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.083 -7.285 -8.937 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.353 -2.779 -8.857 1.00 0.00 H new ATOM 0 HD12 ILE A 69 10.039 -3.277 -8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.118 -3.966 -9.940 1.00 0.00 H new ATOM 1093 N PRO A 70 11.727 -7.688 -6.741 1.00 0.00 N ATOM 1094 CA PRO A 70 12.682 -8.804 -6.769 1.00 0.00 C ATOM 1095 C PRO A 70 12.399 -9.844 -5.689 1.00 0.00 C ATOM 1096 O PRO A 70 12.428 -11.046 -5.949 1.00 0.00 O ATOM 1097 CB PRO A 70 14.027 -8.124 -6.517 1.00 0.00 C ATOM 1098 CG PRO A 70 13.853 -6.745 -7.047 1.00 0.00 C ATOM 1099 CD PRO A 70 12.414 -6.381 -6.796 1.00 0.00 C ATOM 0 HA PRO A 70 12.635 -9.355 -7.708 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.273 -8.113 -5.455 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.837 -8.646 -7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.525 -6.047 -6.547 1.00 0.00 H new ATOM 0 HG3 PRO A 70 14.086 -6.704 -8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.298 -5.828 -5.864 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.015 -5.752 -7.592 1.00 0.00 H new ATOM 1107 N GLU A 71 12.115 -9.377 -4.478 1.00 0.00 N ATOM 1108 CA GLU A 71 11.831 -10.269 -3.369 1.00 0.00 C ATOM 1109 C GLU A 71 10.496 -10.989 -3.559 1.00 0.00 C ATOM 1110 O GLU A 71 10.410 -12.213 -3.425 1.00 0.00 O ATOM 1111 CB GLU A 71 11.818 -9.469 -2.071 1.00 0.00 C ATOM 1112 CG GLU A 71 12.377 -10.234 -0.888 1.00 0.00 C ATOM 1113 CD GLU A 71 12.964 -9.324 0.174 1.00 0.00 C ATOM 1114 OE1 GLU A 71 13.607 -8.318 -0.196 1.00 0.00 O ATOM 1115 OE2 GLU A 71 12.787 -9.620 1.374 1.00 0.00 O ATOM 0 H GLU A 71 12.076 -8.385 -4.243 1.00 0.00 H new ATOM 0 HA GLU A 71 12.611 -11.029 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.396 -8.556 -2.210 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.794 -9.168 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.586 -10.839 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.147 -10.922 -1.237 1.00 0.00 H new ATOM 1122 N THR A 72 9.457 -10.222 -3.871 1.00 0.00 N ATOM 1123 CA THR A 72 8.124 -10.785 -4.059 1.00 0.00 C ATOM 1124 C THR A 72 8.115 -11.835 -5.167 1.00 0.00 C ATOM 1125 O THR A 72 7.584 -12.930 -4.982 1.00 0.00 O ATOM 1126 CB THR A 72 7.117 -9.679 -4.372 1.00 0.00 C ATOM 1127 OG1 THR A 72 7.303 -8.571 -3.510 1.00 0.00 O ATOM 1128 CG2 THR A 72 5.678 -10.127 -4.237 1.00 0.00 C ATOM 0 H THR A 72 9.511 -9.212 -3.999 1.00 0.00 H new ATOM 0 HA THR A 72 7.835 -11.274 -3.129 1.00 0.00 H new ATOM 0 HB THR A 72 7.302 -9.406 -5.411 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.917 -7.932 -3.927 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.014 -9.295 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.487 -10.950 -4.926 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.495 -10.459 -3.215 1.00 0.00 H new ATOM 1136 N VAL A 73 8.705 -11.506 -6.316 1.00 0.00 N ATOM 1137 CA VAL A 73 8.751 -12.422 -7.435 1.00 0.00 C ATOM 1138 C VAL A 73 9.456 -13.717 -7.055 1.00 0.00 C ATOM 1139 O VAL A 73 9.139 -14.781 -7.588 1.00 0.00 O ATOM 1140 CB VAL A 73 9.456 -11.785 -8.645 1.00 0.00 C ATOM 1141 CG1 VAL A 73 8.786 -10.477 -9.037 1.00 0.00 C ATOM 1142 CG2 VAL A 73 10.935 -11.573 -8.366 1.00 0.00 C ATOM 0 H VAL A 73 9.156 -10.608 -6.488 1.00 0.00 H new ATOM 0 HA VAL A 73 7.721 -12.650 -7.709 1.00 0.00 H new ATOM 0 HB VAL A 73 9.368 -12.475 -9.484 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.303 -10.046 -9.895 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.745 -10.666 -9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.830 -9.781 -8.200 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.409 -11.122 -9.238 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.052 -10.913 -7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 73 11.406 -12.533 -8.153 1.00 0.00 H new ATOM 1152 N LYS A 74 10.385 -13.633 -6.104 1.00 0.00 N ATOM 1153 CA LYS A 74 11.076 -14.822 -5.624 1.00 0.00 C ATOM 1154 C LYS A 74 10.046 -15.805 -5.094 1.00 0.00 C ATOM 1155 O LYS A 74 10.100 -17.001 -5.378 1.00 0.00 O ATOM 1156 CB LYS A 74 12.076 -14.463 -4.525 1.00 0.00 C ATOM 1157 CG LYS A 74 13.334 -13.784 -5.041 1.00 0.00 C ATOM 1158 CD LYS A 74 14.359 -14.799 -5.518 1.00 0.00 C ATOM 1159 CE LYS A 74 15.607 -14.781 -4.649 1.00 0.00 C ATOM 1160 NZ LYS A 74 15.700 -15.991 -3.784 1.00 0.00 N ATOM 0 H LYS A 74 10.672 -12.763 -5.656 1.00 0.00 H new ATOM 0 HA LYS A 74 11.631 -15.272 -6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.589 -13.806 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.357 -15.371 -3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.076 -13.113 -5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.768 -13.171 -4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.919 -15.796 -5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.631 -14.585 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.491 -14.720 -5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.601 -13.888 -4.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.564 -15.940 -3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.870 -16.036 -3.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.731 -16.842 -4.380 1.00 0.00 H new ATOM 1174 N LYS A 75 9.064 -15.266 -4.378 1.00 0.00 N ATOM 1175 CA LYS A 75 7.961 -16.067 -3.863 1.00 0.00 C ATOM 1176 C LYS A 75 6.820 -16.108 -4.879 1.00 0.00 C ATOM 1177 O LYS A 75 6.662 -17.085 -5.611 1.00 0.00 O ATOM 1178 CB LYS A 75 7.461 -15.499 -2.533 1.00 0.00 C ATOM 1179 CG LYS A 75 8.573 -15.210 -1.538 1.00 0.00 C ATOM 1180 CD LYS A 75 8.685 -13.722 -1.244 1.00 0.00 C ATOM 1181 CE LYS A 75 7.568 -13.250 -0.327 1.00 0.00 C ATOM 1182 NZ LYS A 75 7.732 -13.768 1.060 1.00 0.00 N ATOM 0 H LYS A 75 9.011 -14.275 -4.141 1.00 0.00 H new ATOM 0 HA LYS A 75 8.320 -17.082 -3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.909 -14.579 -2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.760 -16.204 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.383 -15.752 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.521 -15.576 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.650 -13.513 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.651 -13.162 -2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.550 -12.160 -0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.608 -13.578 -0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.339 -13.082 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.229 -14.673 1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.743 -13.911 1.260 1.00 0.00 H new ATOM 1196 N LEU A 76 6.014 -15.047 -4.902 1.00 0.00 N ATOM 1197 CA LEU A 76 4.910 -14.938 -5.852 1.00 0.00 C ATOM 1198 C LEU A 76 5.311 -14.070 -7.041 1.00 0.00 C ATOM 1199 O LEU A 76 5.997 -14.526 -7.956 1.00 0.00 O ATOM 1200 CB LEU A 76 3.666 -14.352 -5.174 1.00 0.00 C ATOM 1201 CG LEU A 76 3.944 -13.452 -3.968 1.00 0.00 C ATOM 1202 CD1 LEU A 76 2.914 -12.336 -3.889 1.00 0.00 C ATOM 1203 CD2 LEU A 76 3.951 -14.268 -2.684 1.00 0.00 C ATOM 0 H LEU A 76 6.106 -14.250 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 76 4.673 -15.940 -6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.105 -13.779 -5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.025 -15.174 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 76 4.929 -13.002 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.126 -11.705 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.958 -11.735 -4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.918 -12.767 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.150 -13.612 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.981 -14.747 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.727 -15.031 -2.742 1.00 0.00 H new ATOM 1215 N GLY A 77 4.881 -12.809 -7.013 1.00 0.00 N ATOM 1216 CA GLY A 77 5.211 -11.880 -8.072 1.00 0.00 C ATOM 1217 C GLY A 77 5.399 -10.470 -7.547 1.00 0.00 C ATOM 1218 O GLY A 77 6.518 -10.055 -7.251 1.00 0.00 O ATOM 0 H GLY A 77 4.306 -12.416 -6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.124 -12.207 -8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.419 -11.886 -8.821 1.00 0.00 H new ATOM 1222 N HIS A 78 4.303 -9.727 -7.446 1.00 0.00 N ATOM 1223 CA HIS A 78 4.346 -8.364 -6.928 1.00 0.00 C ATOM 1224 C HIS A 78 3.067 -8.034 -6.165 1.00 0.00 C ATOM 1225 O HIS A 78 2.006 -8.592 -6.444 1.00 0.00 O ATOM 1226 CB HIS A 78 4.553 -7.361 -8.067 1.00 0.00 C ATOM 1227 CG HIS A 78 4.107 -7.867 -9.405 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.866 -8.433 -9.578 1.00 0.00 N ATOM 1229 CD2 HIS A 78 4.765 -7.871 -10.589 1.00 0.00 C ATOM 1230 CE1 HIS A 78 2.796 -8.768 -10.854 1.00 0.00 C ATOM 1231 NE2 HIS A 78 3.923 -8.447 -11.505 1.00 0.00 N ATOM 0 H HIS A 78 3.372 -10.046 -7.716 1.00 0.00 H new ATOM 0 HA HIS A 78 5.188 -8.291 -6.240 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.010 -6.445 -7.836 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.610 -7.100 -8.121 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.760 -7.494 -10.775 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.940 -9.240 -11.314 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.117 -8.602 -12.494 1.00 0.00 H new ATOM 1239 N GLU A 79 3.174 -7.120 -5.206 1.00 0.00 N ATOM 1240 CA GLU A 79 2.034 -6.700 -4.419 1.00 0.00 C ATOM 1241 C GLU A 79 1.504 -5.374 -4.944 1.00 0.00 C ATOM 1242 O GLU A 79 1.631 -4.342 -4.294 1.00 0.00 O ATOM 1243 CB GLU A 79 2.450 -6.562 -2.955 1.00 0.00 C ATOM 1244 CG GLU A 79 3.492 -7.580 -2.519 1.00 0.00 C ATOM 1245 CD GLU A 79 4.571 -6.973 -1.643 1.00 0.00 C ATOM 1246 OE1 GLU A 79 5.405 -6.210 -2.174 1.00 0.00 O ATOM 1247 OE2 GLU A 79 4.583 -7.262 -0.428 1.00 0.00 O ATOM 0 H GLU A 79 4.048 -6.657 -4.959 1.00 0.00 H new ATOM 0 HA GLU A 79 1.243 -7.446 -4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.844 -5.559 -2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.567 -6.665 -2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.001 -8.388 -1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.953 -8.023 -3.402 1.00 0.00 H new ATOM 1254 N VAL A 80 0.930 -5.405 -6.138 1.00 0.00 N ATOM 1255 CA VAL A 80 0.447 -4.189 -6.778 1.00 0.00 C ATOM 1256 C VAL A 80 -1.054 -4.014 -6.595 1.00 0.00 C ATOM 1257 O VAL A 80 -1.844 -4.878 -6.975 1.00 0.00 O ATOM 1258 CB VAL A 80 0.773 -4.181 -8.285 1.00 0.00 C ATOM 1259 CG1 VAL A 80 1.248 -2.803 -8.720 1.00 0.00 C ATOM 1260 CG2 VAL A 80 1.815 -5.243 -8.621 1.00 0.00 C ATOM 0 H VAL A 80 0.787 -6.256 -6.682 1.00 0.00 H new ATOM 0 HA VAL A 80 0.961 -3.359 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.139 -4.419 -8.833 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.474 -2.816 -9.786 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.466 -2.070 -8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.145 -2.535 -8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.029 -5.218 -9.690 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.730 -5.044 -8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.432 -6.227 -8.350 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.440 -2.870 -6.035 1.00 0.00 N ATOM 1271 CA LEU A 81 -2.847 -2.562 -5.819 1.00 0.00 C ATOM 1272 C LEU A 81 -3.171 -1.145 -6.278 1.00 0.00 C ATOM 1273 O LEU A 81 -4.244 -0.894 -6.825 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.223 -2.748 -4.343 1.00 0.00 C ATOM 1275 CG LEU A 81 -2.914 -1.563 -3.423 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -4.153 -0.702 -3.228 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -2.384 -2.047 -2.079 1.00 0.00 C ATOM 0 H LEU A 81 -0.796 -2.143 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.439 -3.257 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.290 -2.962 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.701 -3.626 -3.962 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.142 -0.956 -3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.915 0.135 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.488 -0.322 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.945 -1.301 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.171 -1.189 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.131 -2.679 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.470 -2.620 -2.233 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.242 -0.221 -6.054 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.448 1.167 -6.464 1.00 0.00 C ATOM 1291 C GLU A 82 -1.122 1.891 -6.710 1.00 0.00 C ATOM 1292 O GLU A 82 -0.125 1.630 -6.039 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.278 1.910 -5.419 1.00 0.00 C ATOM 1294 CG GLU A 82 -3.195 3.426 -5.518 1.00 0.00 C ATOM 1295 CD GLU A 82 -4.554 4.079 -5.675 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -5.500 3.653 -4.979 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -4.672 5.014 -6.493 1.00 0.00 O ATOM 0 H GLU A 82 -1.349 -0.403 -5.596 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.993 1.155 -7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.321 1.607 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.950 1.604 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.710 3.818 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.567 3.696 -6.367 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.131 2.808 -7.678 1.00 0.00 N ATOM 1305 CA ILE A 83 0.052 3.599 -8.010 1.00 0.00 C ATOM 1306 C ILE A 83 -0.346 5.036 -8.343 1.00 0.00 C ATOM 1307 O ILE A 83 -1.313 5.263 -9.070 1.00 0.00 O ATOM 1308 CB ILE A 83 0.824 3.001 -9.203 1.00 0.00 C ATOM 1309 CG1 ILE A 83 1.210 1.549 -8.916 1.00 0.00 C ATOM 1310 CG2 ILE A 83 2.065 3.829 -9.505 1.00 0.00 C ATOM 1311 CD1 ILE A 83 0.698 0.573 -9.953 1.00 0.00 C ATOM 0 H ILE A 83 -1.950 3.021 -8.248 1.00 0.00 H new ATOM 0 HA ILE A 83 0.703 3.586 -7.136 1.00 0.00 H new ATOM 0 HB ILE A 83 0.174 3.021 -10.078 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.296 1.474 -8.862 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.822 1.265 -7.938 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.597 3.392 -10.350 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.771 4.849 -9.750 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.717 3.839 -8.632 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.009 -0.437 -9.686 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.390 0.620 -9.991 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.107 0.832 -10.930 1.00 0.00 H new ATOM 1323 N GLU A 84 0.395 6.003 -7.805 1.00 0.00 N ATOM 1324 CA GLU A 84 0.095 7.411 -8.044 1.00 0.00 C ATOM 1325 C GLU A 84 1.319 8.286 -7.807 1.00 0.00 C ATOM 1326 O GLU A 84 2.394 7.794 -7.464 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.055 7.866 -7.141 1.00 0.00 C ATOM 1328 CG GLU A 84 -0.958 7.339 -5.718 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.094 7.825 -4.838 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -2.135 9.036 -4.538 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -2.941 6.994 -4.451 1.00 0.00 O ATOM 0 H GLU A 84 1.203 5.838 -7.204 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.201 7.518 -9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.076 8.955 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.999 7.539 -7.577 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.959 6.249 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.008 7.650 -5.283 1.00 0.00 H new ATOM 1338 N GLU A 85 1.140 9.589 -7.984 1.00 0.00 N ATOM 1339 CA GLU A 85 2.225 10.547 -7.797 1.00 0.00 C ATOM 1340 C GLU A 85 1.762 11.733 -6.958 1.00 0.00 C ATOM 1341 O GLU A 85 0.563 11.956 -6.792 1.00 0.00 O ATOM 1342 CB GLU A 85 2.749 11.038 -9.152 1.00 0.00 C ATOM 1343 CG GLU A 85 1.911 10.586 -10.339 1.00 0.00 C ATOM 1344 CD GLU A 85 0.760 11.529 -10.635 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -0.044 11.792 -9.715 1.00 0.00 O ATOM 1346 OE2 GLU A 85 0.661 12.003 -11.786 1.00 0.00 O ATOM 0 H GLU A 85 0.251 10.009 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 85 3.033 10.041 -7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.789 12.127 -9.142 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.771 10.683 -9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.548 10.509 -11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.517 9.589 -10.142 1.00 0.00 H new ATOM 1353 N VAL A 86 2.720 12.483 -6.419 1.00 0.00 N ATOM 1354 CA VAL A 86 2.408 13.634 -5.579 1.00 0.00 C ATOM 1355 C VAL A 86 3.042 14.910 -6.125 1.00 0.00 C ATOM 1356 O VAL A 86 2.341 15.832 -6.545 1.00 0.00 O ATOM 1357 CB VAL A 86 2.882 13.414 -4.130 1.00 0.00 C ATOM 1358 CG1 VAL A 86 2.546 14.619 -3.263 1.00 0.00 C ATOM 1359 CG2 VAL A 86 2.265 12.147 -3.558 1.00 0.00 C ATOM 0 H VAL A 86 3.717 12.314 -6.549 1.00 0.00 H new ATOM 0 HA VAL A 86 1.324 13.745 -5.587 1.00 0.00 H new ATOM 0 HB VAL A 86 3.966 13.296 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.890 14.441 -2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.040 15.504 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.467 14.775 -3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.609 12.005 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.179 12.235 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.564 11.291 -4.163 1.00 0.00 H new ATOM 1369 N GLY A 87 4.371 14.960 -6.111 1.00 0.00 N ATOM 1370 CA GLY A 87 5.073 16.134 -6.598 1.00 0.00 C ATOM 1371 C GLY A 87 6.052 15.812 -7.714 1.00 0.00 C ATOM 1372 O GLY A 87 5.861 14.840 -8.445 1.00 0.00 O ATOM 0 H GLY A 87 4.973 14.210 -5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.347 16.863 -6.957 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.611 16.599 -5.772 1.00 0.00 H new ATOM 1376 N PRO A 88 7.117 16.621 -7.875 1.00 0.00 N ATOM 1377 CA PRO A 88 8.122 16.409 -8.922 1.00 0.00 C ATOM 1378 C PRO A 88 8.723 15.007 -8.874 1.00 0.00 C ATOM 1379 O PRO A 88 8.390 14.152 -9.694 1.00 0.00 O ATOM 1380 CB PRO A 88 9.191 17.461 -8.617 1.00 0.00 C ATOM 1381 CG PRO A 88 8.479 18.518 -7.848 1.00 0.00 C ATOM 1382 CD PRO A 88 7.422 17.806 -7.051 1.00 0.00 C ATOM 0 HA PRO A 88 7.692 16.501 -9.919 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.010 17.035 -8.038 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.623 17.862 -9.534 1.00 0.00 H new ATOM 0 HG2 PRO A 88 9.166 19.055 -7.194 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.034 19.255 -8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.784 17.526 -6.062 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.541 18.430 -6.903 1.00 0.00 H new ATOM 1390 N SER A 89 9.604 14.778 -7.907 1.00 0.00 N ATOM 1391 CA SER A 89 10.245 13.478 -7.753 1.00 0.00 C ATOM 1392 C SER A 89 9.567 12.663 -6.661 1.00 0.00 C ATOM 1393 O SER A 89 9.929 11.513 -6.412 1.00 0.00 O ATOM 1394 CB SER A 89 11.732 13.649 -7.432 1.00 0.00 C ATOM 1395 OG SER A 89 12.209 14.906 -7.880 1.00 0.00 O ATOM 0 H SER A 89 9.890 15.475 -7.219 1.00 0.00 H new ATOM 0 HA SER A 89 10.146 12.941 -8.696 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.888 13.559 -6.357 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.304 12.850 -7.905 1.00 0.00 H new ATOM 0 HG SER A 89 13.161 14.992 -7.662 1.00 0.00 H new ATOM 1401 N GLU A 90 8.585 13.271 -6.007 1.00 0.00 N ATOM 1402 CA GLU A 90 7.840 12.598 -4.948 1.00 0.00 C ATOM 1403 C GLU A 90 6.579 11.944 -5.504 1.00 0.00 C ATOM 1404 O GLU A 90 5.884 12.525 -6.336 1.00 0.00 O ATOM 1405 CB GLU A 90 7.467 13.581 -3.833 1.00 0.00 C ATOM 1406 CG GLU A 90 7.529 15.042 -4.251 1.00 0.00 C ATOM 1407 CD GLU A 90 8.818 15.714 -3.825 1.00 0.00 C ATOM 1408 OE1 GLU A 90 8.970 15.997 -2.618 1.00 0.00 O ATOM 1409 OE2 GLU A 90 9.677 15.958 -4.699 1.00 0.00 O ATOM 0 H GLU A 90 8.285 14.229 -6.191 1.00 0.00 H new ATOM 0 HA GLU A 90 8.483 11.823 -4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.459 13.355 -3.486 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.137 13.427 -2.987 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.428 15.111 -5.334 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.684 15.577 -3.817 1.00 0.00 H new ATOM 1416 N TRP A 91 6.295 10.730 -5.044 1.00 0.00 N ATOM 1417 CA TRP A 91 5.116 10.000 -5.495 1.00 0.00 C ATOM 1418 C TRP A 91 4.618 9.044 -4.414 1.00 0.00 C ATOM 1419 O TRP A 91 5.285 8.838 -3.396 1.00 0.00 O ATOM 1420 CB TRP A 91 5.425 9.226 -6.779 1.00 0.00 C ATOM 1421 CG TRP A 91 6.869 8.854 -6.916 1.00 0.00 C ATOM 1422 CD1 TRP A 91 7.552 7.932 -6.177 1.00 0.00 C ATOM 1423 CD2 TRP A 91 7.811 9.400 -7.847 1.00 0.00 C ATOM 1424 NE1 TRP A 91 8.860 7.868 -6.592 1.00 0.00 N ATOM 1425 CE2 TRP A 91 9.043 8.760 -7.616 1.00 0.00 C ATOM 1426 CE3 TRP A 91 7.733 10.367 -8.854 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 10.186 9.056 -8.356 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 8.868 10.660 -9.587 1.00 0.00 C ATOM 1429 CH2 TRP A 91 10.080 10.006 -9.333 1.00 0.00 C ATOM 0 H TRP A 91 6.864 10.232 -4.360 1.00 0.00 H new ATOM 0 HA TRP A 91 4.329 10.726 -5.700 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.820 8.320 -6.803 1.00 0.00 H new ATOM 0 HB3 TRP A 91 5.130 9.829 -7.638 1.00 0.00 H new ATOM 0 HD1 TRP A 91 7.126 7.339 -5.381 1.00 0.00 H new ATOM 0 HE1 TRP A 91 9.577 7.257 -6.202 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.802 10.876 -9.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 11.122 8.553 -8.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 8.819 11.405 -10.368 1.00 0.00 H new ATOM 0 HH2 TRP A 91 10.950 10.258 -9.922 1.00 0.00 H new ATOM 1440 N LYS A 92 3.444 8.462 -4.642 1.00 0.00 N ATOM 1441 CA LYS A 92 2.855 7.530 -3.694 1.00 0.00 C ATOM 1442 C LYS A 92 2.631 6.171 -4.343 1.00 0.00 C ATOM 1443 O LYS A 92 2.098 6.079 -5.448 1.00 0.00 O ATOM 1444 CB LYS A 92 1.530 8.081 -3.169 1.00 0.00 C ATOM 1445 CG LYS A 92 1.293 7.776 -1.704 1.00 0.00 C ATOM 1446 CD LYS A 92 0.544 8.901 -1.008 1.00 0.00 C ATOM 1447 CE LYS A 92 -0.939 8.879 -1.343 1.00 0.00 C ATOM 1448 NZ LYS A 92 -1.766 9.444 -0.241 1.00 0.00 N ATOM 0 H LYS A 92 2.883 8.622 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 92 3.546 7.406 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.510 9.161 -3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.712 7.664 -3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.725 6.850 -1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.249 7.614 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.675 8.813 0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.970 9.860 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.113 9.448 -2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.251 7.854 -1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.770 9.411 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.620 8.886 0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.486 10.431 -0.068 1.00 0.00 H new ATOM 1462 N ILE A 93 3.035 5.117 -3.646 1.00 0.00 N ATOM 1463 CA ILE A 93 2.877 3.760 -4.154 1.00 0.00 C ATOM 1464 C ILE A 93 2.126 2.892 -3.155 1.00 0.00 C ATOM 1465 O ILE A 93 2.271 3.055 -1.944 1.00 0.00 O ATOM 1466 CB ILE A 93 4.239 3.109 -4.466 1.00 0.00 C ATOM 1467 CG1 ILE A 93 5.146 4.098 -5.201 1.00 0.00 C ATOM 1468 CG2 ILE A 93 4.048 1.846 -5.292 1.00 0.00 C ATOM 1469 CD1 ILE A 93 6.196 4.731 -4.314 1.00 0.00 C ATOM 0 H ILE A 93 3.475 5.175 -2.727 1.00 0.00 H new ATOM 0 HA ILE A 93 2.303 3.831 -5.078 1.00 0.00 H new ATOM 0 HB ILE A 93 4.716 2.836 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.641 3.582 -6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.532 4.884 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 93 5.019 1.399 -5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.436 1.137 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.552 2.096 -6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.802 5.420 -4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.709 5.276 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.835 3.954 -3.895 1.00 0.00 H new ATOM 1481 N TYR A 94 1.314 1.976 -3.671 1.00 0.00 N ATOM 1482 CA TYR A 94 0.534 1.084 -2.824 1.00 0.00 C ATOM 1483 C TYR A 94 0.916 -0.368 -3.076 1.00 0.00 C ATOM 1484 O TYR A 94 0.805 -0.865 -4.200 1.00 0.00 O ATOM 1485 CB TYR A 94 -0.961 1.279 -3.076 1.00 0.00 C ATOM 1486 CG TYR A 94 -1.552 2.470 -2.357 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.106 3.759 -2.622 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.562 2.305 -1.418 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -1.647 4.850 -1.967 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -3.107 3.390 -0.759 1.00 0.00 C ATOM 1491 CZ TYR A 94 -2.647 4.660 -1.038 1.00 0.00 C ATOM 1492 OH TYR A 94 -3.188 5.742 -0.383 1.00 0.00 O ATOM 0 H TYR A 94 1.179 1.832 -4.672 1.00 0.00 H new ATOM 0 HA TYR A 94 0.752 1.328 -1.784 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.127 1.394 -4.147 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.492 0.379 -2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.324 3.911 -3.351 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.927 1.312 -1.199 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.288 5.846 -2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.889 3.244 -0.029 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.922 5.720 0.560 1.00 0.00 H new ATOM 1502 N ILE A 95 1.304 -1.054 -2.004 1.00 0.00 N ATOM 1503 CA ILE A 95 1.723 -2.448 -2.080 1.00 0.00 C ATOM 1504 C ILE A 95 0.886 -3.293 -1.126 1.00 0.00 C ATOM 1505 O ILE A 95 0.401 -2.787 -0.113 1.00 0.00 O ATOM 1506 CB ILE A 95 3.230 -2.590 -1.743 1.00 0.00 C ATOM 1507 CG1 ILE A 95 3.949 -3.396 -2.825 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.439 -3.231 -0.377 1.00 0.00 C ATOM 1509 CD1 ILE A 95 4.272 -2.592 -4.065 1.00 0.00 C ATOM 0 H ILE A 95 1.336 -0.660 -1.064 1.00 0.00 H new ATOM 0 HA ILE A 95 1.569 -2.802 -3.099 1.00 0.00 H new ATOM 0 HB ILE A 95 3.656 -1.587 -1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.874 -3.799 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.328 -4.247 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.507 -3.315 -0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.971 -2.614 0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.989 -4.224 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.781 -3.228 -4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.349 -2.211 -4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.919 -1.756 -3.798 1.00 0.00 H new ATOM 1521 N LYS A 96 0.654 -4.557 -1.476 1.00 0.00 N ATOM 1522 CA LYS A 96 -0.185 -5.412 -0.636 1.00 0.00 C ATOM 1523 C LYS A 96 0.197 -6.885 -0.737 1.00 0.00 C ATOM 1524 O LYS A 96 -0.074 -7.543 -1.742 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.655 -5.227 -1.014 1.00 0.00 C ATOM 1526 CG LYS A 96 -1.902 -5.290 -2.511 1.00 0.00 C ATOM 1527 CD LYS A 96 -2.638 -6.557 -2.909 1.00 0.00 C ATOM 1528 CE LYS A 96 -3.926 -6.245 -3.654 1.00 0.00 C ATOM 1529 NZ LYS A 96 -4.786 -7.450 -3.810 1.00 0.00 N ATOM 0 H LYS A 96 1.025 -5.004 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.025 -5.108 0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.249 -5.997 -0.522 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.002 -4.266 -0.635 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.482 -4.421 -2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.949 -5.242 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.993 -7.171 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.865 -7.142 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.477 -5.473 -3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.687 -5.840 -4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.653 -7.193 -4.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.270 -8.178 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.036 -7.822 -2.872 1.00 0.00 H new ATOM 1543 N VAL A 97 0.794 -7.405 0.328 1.00 0.00 N ATOM 1544 CA VAL A 97 1.180 -8.809 0.380 1.00 0.00 C ATOM 1545 C VAL A 97 -0.035 -9.707 0.175 1.00 0.00 C ATOM 1546 O VAL A 97 -0.992 -9.651 0.949 1.00 0.00 O ATOM 1547 CB VAL A 97 1.841 -9.164 1.725 1.00 0.00 C ATOM 1548 CG1 VAL A 97 2.554 -10.504 1.633 1.00 0.00 C ATOM 1549 CG2 VAL A 97 2.799 -8.066 2.162 1.00 0.00 C ATOM 0 H VAL A 97 1.022 -6.874 1.169 1.00 0.00 H new ATOM 0 HA VAL A 97 1.901 -8.973 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 97 1.059 -9.247 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.015 -10.738 2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.835 -11.282 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.324 -10.454 0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.254 -8.338 3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.578 -7.942 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.252 -7.130 2.276 1.00 0.00 H new ATOM 1559 N LYS A 98 0.002 -10.522 -0.875 1.00 0.00 N ATOM 1560 CA LYS A 98 -1.099 -11.432 -1.179 1.00 0.00 C ATOM 1561 C LYS A 98 -1.035 -12.675 -0.297 1.00 0.00 C ATOM 1562 O LYS A 98 0.062 -13.259 -0.180 1.00 0.00 O ATOM 1563 CB LYS A 98 -1.063 -11.839 -2.654 1.00 0.00 C ATOM 1564 CG LYS A 98 -2.441 -12.001 -3.274 1.00 0.00 C ATOM 1565 CD LYS A 98 -2.987 -13.403 -3.062 1.00 0.00 C ATOM 1566 CE LYS A 98 -3.265 -14.100 -4.384 1.00 0.00 C ATOM 1567 NZ LYS A 98 -2.226 -15.115 -4.708 1.00 0.00 N ATOM 1568 OXT LYS A 98 -2.082 -13.051 0.270 1.00 0.00 O ATOM 0 H LYS A 98 0.782 -10.571 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.034 -10.910 -0.977 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.507 -11.089 -3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.518 -12.778 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.125 -11.273 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.388 -11.788 -4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.272 -13.989 -2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.905 -13.352 -2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.242 -14.582 -4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.310 -13.359 -5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.453 -15.567 -5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.297 -14.652 -4.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.200 -15.837 -3.960 1.00 0.00 H new