USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=13 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 Set 1.1: A 50 MET CE :methyl 159:sc= 0 (180deg=-0.197) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.18) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 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 -160: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=-0.24) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) 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 -151:sc= -0.263 (180deg=-1.34) USER MOD Single : A 65 SER OG : rot 120:sc= -1.14 USER MOD Single : A 66 LYS NZ :NH3+ 156:sc= -0.182 (180deg=-0.797) USER MOD Single : A 72 THR OG1 : rot 84:sc= 1.12 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.492 K(o=-0.49,f=-1.5!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -118:sc= 0.565 (180deg=0) USER MOD Single : A 94 TYR OH : rot -118:sc= 0.00577 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 -5.127 -0.233 2.382 1.00 0.00 N ATOM 359 CA VAL A 25 -3.833 -0.019 3.017 1.00 0.00 C ATOM 360 C VAL A 25 -3.964 0.079 4.537 1.00 0.00 C ATOM 361 O VAL A 25 -4.776 0.846 5.054 1.00 0.00 O ATOM 362 CB VAL A 25 -3.190 1.268 2.491 1.00 0.00 C ATOM 363 CG1 VAL A 25 -4.249 2.342 2.415 1.00 0.00 C ATOM 364 CG2 VAL A 25 -2.023 1.704 3.365 1.00 0.00 C ATOM 0 HA VAL A 25 -3.206 -0.877 2.773 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.784 1.087 1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.805 3.265 2.042 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.043 2.023 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.664 2.515 3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.590 2.620 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.376 1.884 4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.266 0.920 3.378 1.00 0.00 H new ATOM 374 N THR A 26 -3.146 -0.697 5.242 1.00 0.00 N ATOM 375 CA THR A 26 -3.147 -0.692 6.700 1.00 0.00 C ATOM 376 C THR A 26 -2.000 0.164 7.232 1.00 0.00 C ATOM 377 O THR A 26 -2.223 1.139 7.949 1.00 0.00 O ATOM 378 CB THR A 26 -3.034 -2.119 7.240 1.00 0.00 C ATOM 379 OG1 THR A 26 -3.865 -2.998 6.503 1.00 0.00 O ATOM 380 CG2 THR A 26 -3.413 -2.241 8.699 1.00 0.00 C ATOM 0 H THR A 26 -2.472 -1.339 4.825 1.00 0.00 H new ATOM 0 HA THR A 26 -4.089 -0.263 7.041 1.00 0.00 H new ATOM 0 HB THR A 26 -1.983 -2.386 7.134 1.00 0.00 H new ATOM 0 HG1 THR A 26 -3.779 -3.906 6.861 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.310 -3.279 9.016 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.756 -1.611 9.299 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.446 -1.921 8.835 1.00 0.00 H new ATOM 388 N LYS A 27 -0.774 -0.198 6.861 1.00 0.00 N ATOM 389 CA LYS A 27 0.402 0.558 7.276 1.00 0.00 C ATOM 390 C LYS A 27 0.875 1.466 6.146 1.00 0.00 C ATOM 391 O LYS A 27 0.541 1.244 4.983 1.00 0.00 O ATOM 392 CB LYS A 27 1.527 -0.383 7.701 1.00 0.00 C ATOM 393 CG LYS A 27 1.909 -0.256 9.160 1.00 0.00 C ATOM 394 CD LYS A 27 0.713 -0.464 10.077 1.00 0.00 C ATOM 395 CE LYS A 27 1.141 -0.592 11.529 1.00 0.00 C ATOM 396 NZ LYS A 27 0.167 0.050 12.454 1.00 0.00 N ATOM 0 H LYS A 27 -0.571 -1.008 6.275 1.00 0.00 H new ATOM 0 HA LYS A 27 0.127 1.175 8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.223 -1.411 7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.405 -0.186 7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.681 -0.987 9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.337 0.730 9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.023 0.373 9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.173 -1.362 9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.244 -1.646 11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.122 -0.135 11.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.496 -0.059 13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.087 1.062 12.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.763 -0.403 12.348 1.00 0.00 H new ATOM 410 N THR A 28 1.618 2.508 6.495 1.00 0.00 N ATOM 411 CA THR A 28 2.110 3.457 5.504 1.00 0.00 C ATOM 412 C THR A 28 3.573 3.811 5.744 1.00 0.00 C ATOM 413 O THR A 28 3.922 4.384 6.775 1.00 0.00 O ATOM 414 CB THR A 28 1.259 4.728 5.526 1.00 0.00 C ATOM 415 OG1 THR A 28 -0.117 4.412 5.404 1.00 0.00 O ATOM 416 CG2 THR A 28 1.608 5.700 4.421 1.00 0.00 C ATOM 0 H THR A 28 1.893 2.718 7.455 1.00 0.00 H new ATOM 0 HA THR A 28 2.034 2.983 4.525 1.00 0.00 H new ATOM 0 HB THR A 28 1.471 5.202 6.484 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.645 5.237 5.422 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.968 6.579 4.494 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.651 6.002 4.518 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.457 5.221 3.454 1.00 0.00 H new ATOM 424 N LEU A 29 4.418 3.492 4.769 1.00 0.00 N ATOM 425 CA LEU A 29 5.836 3.814 4.849 1.00 0.00 C ATOM 426 C LEU A 29 6.146 5.035 3.990 1.00 0.00 C ATOM 427 O LEU A 29 6.029 4.987 2.765 1.00 0.00 O ATOM 428 CB LEU A 29 6.678 2.623 4.389 1.00 0.00 C ATOM 429 CG LEU A 29 8.177 2.760 4.655 1.00 0.00 C ATOM 430 CD1 LEU A 29 8.782 1.410 5.008 1.00 0.00 C ATOM 431 CD2 LEU A 29 8.877 3.363 3.447 1.00 0.00 C ATOM 0 H LEU A 29 4.143 3.010 3.913 1.00 0.00 H new ATOM 0 HA LEU A 29 6.084 4.039 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.315 1.724 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.524 2.478 3.320 1.00 0.00 H new ATOM 0 HG LEU A 29 8.318 3.429 5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.850 1.527 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.299 1.017 5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.632 0.716 4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.944 3.454 3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.728 2.718 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.462 4.350 3.241 1.00 0.00 H new ATOM 443 N ASP A 30 6.518 6.131 4.638 1.00 0.00 N ATOM 444 CA ASP A 30 6.819 7.370 3.931 1.00 0.00 C ATOM 445 C ASP A 30 8.132 7.974 4.413 1.00 0.00 C ATOM 446 O ASP A 30 8.256 8.370 5.573 1.00 0.00 O ATOM 447 CB ASP A 30 5.682 8.376 4.122 1.00 0.00 C ATOM 448 CG ASP A 30 5.222 8.464 5.564 1.00 0.00 C ATOM 449 OD1 ASP A 30 4.474 7.566 6.004 1.00 0.00 O ATOM 450 OD2 ASP A 30 5.608 9.431 6.253 1.00 0.00 O ATOM 0 H ASP A 30 6.619 6.188 5.651 1.00 0.00 H new ATOM 0 HA ASP A 30 6.919 7.136 2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.012 9.360 3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.839 8.091 3.492 1.00 0.00 H new ATOM 455 N VAL A 31 9.105 8.050 3.513 1.00 0.00 N ATOM 456 CA VAL A 31 10.411 8.615 3.844 1.00 0.00 C ATOM 457 C VAL A 31 10.853 9.632 2.794 1.00 0.00 C ATOM 458 O VAL A 31 11.853 9.429 2.104 1.00 0.00 O ATOM 459 CB VAL A 31 11.493 7.521 3.971 1.00 0.00 C ATOM 460 CG1 VAL A 31 12.330 7.745 5.221 1.00 0.00 C ATOM 461 CG2 VAL A 31 10.867 6.134 3.981 1.00 0.00 C ATOM 0 H VAL A 31 9.016 7.728 2.549 1.00 0.00 H new ATOM 0 HA VAL A 31 10.299 9.112 4.808 1.00 0.00 H new ATOM 0 HB VAL A 31 12.148 7.586 3.102 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.088 6.965 5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.816 8.719 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.687 7.711 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.651 5.382 4.071 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.184 6.049 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.318 5.976 3.053 1.00 0.00 H new ATOM 471 N ARG A 32 10.102 10.726 2.684 1.00 0.00 N ATOM 472 CA ARG A 32 10.415 11.779 1.718 1.00 0.00 C ATOM 473 C ARG A 32 11.874 12.204 1.825 1.00 0.00 C ATOM 474 O ARG A 32 12.722 11.752 1.054 1.00 0.00 O ATOM 475 CB ARG A 32 9.499 12.991 1.927 1.00 0.00 C ATOM 476 CG ARG A 32 9.042 13.178 3.365 1.00 0.00 C ATOM 477 CD ARG A 32 8.437 14.554 3.585 1.00 0.00 C ATOM 478 NE ARG A 32 9.460 15.577 3.789 1.00 0.00 N ATOM 479 CZ ARG A 32 9.827 16.024 4.986 1.00 0.00 C ATOM 480 NH1 ARG A 32 9.260 15.539 6.083 1.00 0.00 N ATOM 481 NH2 ARG A 32 10.765 16.957 5.087 1.00 0.00 N ATOM 0 H ARG A 32 9.273 10.907 3.251 1.00 0.00 H new ATOM 0 HA ARG A 32 10.246 11.376 0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.023 13.890 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.622 12.886 1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.308 12.413 3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.889 13.040 4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.823 14.822 2.725 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.776 14.525 4.451 1.00 0.00 H new ATOM 0 HE ARG A 32 9.918 15.970 2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.540 14.821 6.010 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.544 15.885 7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.205 17.331 4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.046 17.300 6.005 1.00 0.00 H new ATOM 631 N THR A 43 13.024 -0.373 5.295 1.00 0.00 N ATOM 632 CA THR A 43 12.236 -0.908 4.191 1.00 0.00 C ATOM 633 C THR A 43 12.709 -2.308 3.815 1.00 0.00 C ATOM 634 O THR A 43 11.898 -3.192 3.538 1.00 0.00 O ATOM 635 CB THR A 43 12.318 0.020 2.977 1.00 0.00 C ATOM 636 OG1 THR A 43 11.562 -0.500 1.897 1.00 0.00 O ATOM 637 CG2 THR A 43 13.730 0.245 2.482 1.00 0.00 C ATOM 0 HA THR A 43 11.197 -0.971 4.516 1.00 0.00 H new ATOM 0 HB THR A 43 11.917 0.974 3.319 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.866 -0.092 1.059 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.711 0.912 1.620 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.327 0.694 3.276 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.170 -0.709 2.193 1.00 0.00 H new ATOM 645 N LYS A 44 14.024 -2.506 3.817 1.00 0.00 N ATOM 646 CA LYS A 44 14.599 -3.807 3.495 1.00 0.00 C ATOM 647 C LYS A 44 14.099 -4.862 4.473 1.00 0.00 C ATOM 648 O LYS A 44 13.837 -6.005 4.094 1.00 0.00 O ATOM 649 CB LYS A 44 16.128 -3.737 3.531 1.00 0.00 C ATOM 650 CG LYS A 44 16.806 -5.072 3.272 1.00 0.00 C ATOM 651 CD LYS A 44 16.733 -5.461 1.804 1.00 0.00 C ATOM 652 CE LYS A 44 18.101 -5.832 1.257 1.00 0.00 C ATOM 653 NZ LYS A 44 18.654 -4.769 0.373 1.00 0.00 N ATOM 0 H LYS A 44 14.710 -1.784 4.038 1.00 0.00 H new ATOM 0 HA LYS A 44 14.286 -4.085 2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.468 -3.016 2.787 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.443 -3.362 4.505 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.849 -5.017 3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.333 -5.845 3.878 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.051 -6.303 1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.322 -4.633 1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.787 -6.008 2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.028 -6.766 0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.588 -5.061 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.012 -4.618 -0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.748 -3.884 0.911 1.00 0.00 H new ATOM 667 N ARG A 45 13.953 -4.463 5.732 1.00 0.00 N ATOM 668 CA ARG A 45 13.467 -5.361 6.769 1.00 0.00 C ATOM 669 C ARG A 45 12.018 -5.753 6.507 1.00 0.00 C ATOM 670 O ARG A 45 11.590 -6.852 6.856 1.00 0.00 O ATOM 671 CB ARG A 45 13.586 -4.697 8.137 1.00 0.00 C ATOM 672 CG ARG A 45 13.361 -5.648 9.302 1.00 0.00 C ATOM 673 CD ARG A 45 12.081 -5.318 10.052 1.00 0.00 C ATOM 674 NE ARG A 45 12.277 -5.320 11.501 1.00 0.00 N ATOM 675 CZ ARG A 45 12.448 -6.424 12.222 1.00 0.00 C ATOM 676 NH1 ARG A 45 12.450 -7.612 11.634 1.00 0.00 N ATOM 677 NH2 ARG A 45 12.618 -6.340 13.536 1.00 0.00 N ATOM 0 H ARG A 45 14.166 -3.520 6.058 1.00 0.00 H new ATOM 0 HA ARG A 45 14.079 -6.263 6.755 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.577 -4.252 8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.864 -3.883 8.200 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.314 -6.672 8.933 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.208 -5.594 9.985 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.719 -4.339 9.737 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.310 -6.043 9.790 1.00 0.00 H new ATOM 0 HE ARG A 45 12.283 -4.423 11.987 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.320 -7.682 10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 45 12.582 -8.456 12.191 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.617 -5.428 13.993 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.749 -7.187 14.088 1.00 0.00 H new ATOM 691 N ALA A 46 11.270 -4.843 5.889 1.00 0.00 N ATOM 692 CA ALA A 46 9.867 -5.090 5.574 1.00 0.00 C ATOM 693 C ALA A 46 9.716 -6.292 4.646 1.00 0.00 C ATOM 694 O ALA A 46 8.923 -7.195 4.909 1.00 0.00 O ATOM 695 CB ALA A 46 9.241 -3.853 4.948 1.00 0.00 C ATOM 0 H ALA A 46 11.613 -3.928 5.597 1.00 0.00 H new ATOM 0 HA ALA A 46 9.345 -5.315 6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.194 -4.052 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.307 -3.019 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.772 -3.601 4.030 1.00 0.00 H new ATOM 701 N LEU A 47 10.487 -6.297 3.562 1.00 0.00 N ATOM 702 CA LEU A 47 10.444 -7.391 2.597 1.00 0.00 C ATOM 703 C LEU A 47 10.802 -8.719 3.259 1.00 0.00 C ATOM 704 O LEU A 47 10.255 -9.763 2.909 1.00 0.00 O ATOM 705 CB LEU A 47 11.402 -7.116 1.435 1.00 0.00 C ATOM 706 CG LEU A 47 10.944 -6.047 0.434 1.00 0.00 C ATOM 707 CD1 LEU A 47 9.506 -6.292 0.001 1.00 0.00 C ATOM 708 CD2 LEU A 47 11.095 -4.658 1.031 1.00 0.00 C ATOM 0 H LEU A 47 11.149 -5.556 3.330 1.00 0.00 H new ATOM 0 HA LEU A 47 9.426 -7.459 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.365 -6.814 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.565 -8.048 0.894 1.00 0.00 H new ATOM 0 HG LEU A 47 11.579 -6.113 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.203 -5.522 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.430 -7.271 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.853 -6.259 0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.765 -3.913 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 47 10.487 -4.581 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.141 -4.482 1.282 1.00 0.00 H new ATOM 720 N GLN A 48 11.725 -8.668 4.215 1.00 0.00 N ATOM 721 CA GLN A 48 12.163 -9.869 4.919 1.00 0.00 C ATOM 722 C GLN A 48 11.186 -10.248 6.030 1.00 0.00 C ATOM 723 O GLN A 48 11.130 -11.403 6.451 1.00 0.00 O ATOM 724 CB GLN A 48 13.560 -9.660 5.505 1.00 0.00 C ATOM 725 CG GLN A 48 14.639 -10.465 4.799 1.00 0.00 C ATOM 726 CD GLN A 48 16.033 -10.136 5.293 1.00 0.00 C ATOM 727 OE1 GLN A 48 16.393 -8.967 5.442 1.00 0.00 O ATOM 728 NE2 GLN A 48 16.830 -11.167 5.546 1.00 0.00 N ATOM 0 H GLN A 48 12.184 -7.809 4.520 1.00 0.00 H new ATOM 0 HA GLN A 48 12.193 -10.686 4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.814 -8.601 5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.547 -9.931 6.561 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.448 -11.528 4.946 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.584 -10.276 3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.491 -12.119 5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.781 -11.007 5.878 1.00 0.00 H new ATOM 737 N ASN A 49 10.425 -9.267 6.506 1.00 0.00 N ATOM 738 CA ASN A 49 9.458 -9.498 7.573 1.00 0.00 C ATOM 739 C ASN A 49 8.050 -9.115 7.126 1.00 0.00 C ATOM 740 O ASN A 49 7.358 -8.353 7.802 1.00 0.00 O ATOM 741 CB ASN A 49 9.847 -8.703 8.822 1.00 0.00 C ATOM 742 CG ASN A 49 9.786 -9.541 10.083 1.00 0.00 C ATOM 743 OD1 ASN A 49 8.724 -9.703 10.684 1.00 0.00 O ATOM 744 ND2 ASN A 49 10.929 -10.081 10.491 1.00 0.00 N ATOM 0 H ASN A 49 10.460 -8.305 6.169 1.00 0.00 H new ATOM 0 HA ASN A 49 9.464 -10.561 7.812 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.856 -8.309 8.699 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.181 -7.846 8.926 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.949 -10.656 11.333 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.786 -9.921 9.962 1.00 0.00 H new ATOM 751 N MET A 50 7.635 -9.652 5.984 1.00 0.00 N ATOM 752 CA MET A 50 6.311 -9.367 5.442 1.00 0.00 C ATOM 753 C MET A 50 5.272 -10.337 5.997 1.00 0.00 C ATOM 754 O MET A 50 5.572 -11.502 6.260 1.00 0.00 O ATOM 755 CB MET A 50 6.338 -9.441 3.912 1.00 0.00 C ATOM 756 CG MET A 50 6.371 -10.861 3.364 1.00 0.00 C ATOM 757 SD MET A 50 7.933 -11.700 3.690 1.00 0.00 S ATOM 758 CE MET A 50 7.353 -13.330 4.153 1.00 0.00 C ATOM 0 H MET A 50 8.196 -10.287 5.416 1.00 0.00 H new ATOM 0 HA MET A 50 6.031 -8.358 5.744 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.460 -8.930 3.518 1.00 0.00 H new ATOM 0 HB3 MET A 50 7.212 -8.901 3.547 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.556 -11.435 3.806 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.196 -10.835 2.289 1.00 0.00 H new ATOM 0 HE1 MET A 50 8.158 -14.053 4.024 1.00 0.00 H new ATOM 0 HE2 MET A 50 7.037 -13.321 5.196 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.510 -13.609 3.521 1.00 0.00 H new ATOM 768 N LYS A 51 4.048 -9.848 6.169 1.00 0.00 N ATOM 769 CA LYS A 51 2.961 -10.665 6.688 1.00 0.00 C ATOM 770 C LYS A 51 2.084 -11.181 5.545 1.00 0.00 C ATOM 771 O LYS A 51 2.023 -10.565 4.483 1.00 0.00 O ATOM 772 CB LYS A 51 2.125 -9.847 7.672 1.00 0.00 C ATOM 773 CG LYS A 51 1.825 -10.563 8.980 1.00 0.00 C ATOM 774 CD LYS A 51 2.741 -10.092 10.099 1.00 0.00 C ATOM 775 CE LYS A 51 1.995 -9.973 11.418 1.00 0.00 C ATOM 776 NZ LYS A 51 2.461 -8.805 12.217 1.00 0.00 N ATOM 0 H LYS A 51 3.785 -8.886 5.955 1.00 0.00 H new ATOM 0 HA LYS A 51 3.383 -11.525 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.649 -8.917 7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.183 -9.577 7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.787 -10.388 9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.941 -11.638 8.842 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.570 -10.791 10.211 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.172 -9.126 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.927 -9.877 11.223 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.133 -10.887 11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.928 -8.759 13.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.475 -8.909 12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.306 -7.930 11.676 1.00 0.00 H new ATOM 790 N PRO A 52 1.406 -12.331 5.744 1.00 0.00 N ATOM 791 CA PRO A 52 0.557 -12.948 4.721 1.00 0.00 C ATOM 792 C PRO A 52 -0.246 -11.941 3.896 1.00 0.00 C ATOM 793 O PRO A 52 0.144 -11.599 2.781 1.00 0.00 O ATOM 794 CB PRO A 52 -0.370 -13.828 5.553 1.00 0.00 C ATOM 795 CG PRO A 52 0.474 -14.271 6.698 1.00 0.00 C ATOM 796 CD PRO A 52 1.439 -13.145 6.977 1.00 0.00 C ATOM 0 HA PRO A 52 1.145 -13.481 3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.244 -13.274 5.894 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.736 -14.677 4.976 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.140 -14.482 7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.009 -15.189 6.454 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.133 -12.564 7.847 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.442 -13.520 7.181 1.00 0.00 H new ATOM 804 N GLY A 53 -1.400 -11.527 4.416 1.00 0.00 N ATOM 805 CA GLY A 53 -2.255 -10.598 3.695 1.00 0.00 C ATOM 806 C GLY A 53 -2.194 -9.188 4.244 1.00 0.00 C ATOM 807 O GLY A 53 -3.210 -8.640 4.673 1.00 0.00 O ATOM 0 H GLY A 53 -1.758 -11.819 5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.964 -10.586 2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.285 -10.954 3.736 1.00 0.00 H new ATOM 811 N GLU A 54 -1.005 -8.602 4.243 1.00 0.00 N ATOM 812 CA GLU A 54 -0.832 -7.245 4.753 1.00 0.00 C ATOM 813 C GLU A 54 -1.000 -6.203 3.654 1.00 0.00 C ATOM 814 O GLU A 54 -0.855 -6.501 2.468 1.00 0.00 O ATOM 815 CB GLU A 54 0.534 -7.084 5.417 1.00 0.00 C ATOM 816 CG GLU A 54 0.467 -7.121 6.933 1.00 0.00 C ATOM 817 CD GLU A 54 -0.082 -5.838 7.525 1.00 0.00 C ATOM 818 OE1 GLU A 54 -1.319 -5.667 7.527 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.725 -5.005 7.988 1.00 0.00 O ATOM 0 H GLU A 54 -0.150 -9.039 3.898 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.611 -7.081 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.196 -7.877 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.975 -6.139 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.159 -7.957 7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.465 -7.303 7.333 1.00 0.00 H new ATOM 826 N ILE A 55 -1.304 -4.976 4.066 1.00 0.00 N ATOM 827 CA ILE A 55 -1.482 -3.865 3.138 1.00 0.00 C ATOM 828 C ILE A 55 -0.667 -2.661 3.599 1.00 0.00 C ATOM 829 O ILE A 55 -0.842 -2.180 4.718 1.00 0.00 O ATOM 830 CB ILE A 55 -2.965 -3.449 3.025 1.00 0.00 C ATOM 831 CG1 ILE A 55 -3.887 -4.563 3.542 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.308 -3.084 1.587 1.00 0.00 C ATOM 833 CD1 ILE A 55 -4.032 -5.737 2.594 1.00 0.00 C ATOM 0 H ILE A 55 -1.433 -4.725 5.046 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.138 -4.201 2.160 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.122 -2.569 3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.502 -4.925 4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.874 -4.142 3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.357 -2.793 1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.682 -2.253 1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.132 -3.944 0.941 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.699 -6.479 3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.447 -5.391 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.054 -6.186 2.419 1.00 0.00 H new ATOM 845 N LEU A 56 0.236 -2.188 2.748 1.00 0.00 N ATOM 846 CA LEU A 56 1.076 -1.048 3.093 1.00 0.00 C ATOM 847 C LEU A 56 1.048 0.016 2.008 1.00 0.00 C ATOM 848 O LEU A 56 0.649 -0.241 0.873 1.00 0.00 O ATOM 849 CB LEU A 56 2.519 -1.496 3.323 1.00 0.00 C ATOM 850 CG LEU A 56 2.932 -1.631 4.786 1.00 0.00 C ATOM 851 CD1 LEU A 56 2.205 -2.796 5.432 1.00 0.00 C ATOM 852 CD2 LEU A 56 4.439 -1.804 4.902 1.00 0.00 C ATOM 0 H LEU A 56 0.405 -2.574 1.819 1.00 0.00 H new ATOM 0 HA LEU A 56 0.675 -0.618 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.667 -2.457 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.186 -0.783 2.838 1.00 0.00 H new ATOM 0 HG LEU A 56 2.654 -0.718 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.509 -2.881 6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.129 -2.628 5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.454 -3.717 4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.715 -1.899 5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.745 -2.702 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.939 -0.936 4.472 1.00 0.00 H new ATOM 864 N GLU A 57 1.500 1.210 2.369 1.00 0.00 N ATOM 865 CA GLU A 57 1.575 2.321 1.436 1.00 0.00 C ATOM 866 C GLU A 57 3.014 2.809 1.329 1.00 0.00 C ATOM 867 O GLU A 57 3.827 2.553 2.216 1.00 0.00 O ATOM 868 CB GLU A 57 0.662 3.460 1.891 1.00 0.00 C ATOM 869 CG GLU A 57 0.512 4.574 0.867 1.00 0.00 C ATOM 870 CD GLU A 57 -0.474 5.638 1.305 1.00 0.00 C ATOM 871 OE1 GLU A 57 -1.529 5.276 1.866 1.00 0.00 O ATOM 872 OE2 GLU A 57 -0.191 6.836 1.086 1.00 0.00 O ATOM 0 H GLU A 57 1.822 1.432 3.311 1.00 0.00 H new ATOM 0 HA GLU A 57 1.241 1.982 0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.324 3.054 2.119 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.055 3.881 2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.484 5.035 0.692 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.185 4.149 -0.082 1.00 0.00 H new ATOM 879 N VAL A 58 3.337 3.483 0.235 1.00 0.00 N ATOM 880 CA VAL A 58 4.690 3.986 0.032 1.00 0.00 C ATOM 881 C VAL A 58 4.670 5.410 -0.510 1.00 0.00 C ATOM 882 O VAL A 58 4.212 5.655 -1.625 1.00 0.00 O ATOM 883 CB VAL A 58 5.489 3.084 -0.929 1.00 0.00 C ATOM 884 CG1 VAL A 58 6.944 3.526 -0.990 1.00 0.00 C ATOM 885 CG2 VAL A 58 5.386 1.627 -0.502 1.00 0.00 C ATOM 0 H VAL A 58 2.687 3.694 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 58 5.180 3.981 1.006 1.00 0.00 H new ATOM 0 HB VAL A 58 5.062 3.178 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.493 2.878 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.997 4.555 -1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.386 3.462 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.956 1.005 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.787 1.514 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.341 1.318 -0.513 1.00 0.00 H new ATOM 895 N TRP A 59 5.189 6.343 0.280 1.00 0.00 N ATOM 896 CA TRP A 59 5.237 7.745 -0.126 1.00 0.00 C ATOM 897 C TRP A 59 6.672 8.254 -0.116 1.00 0.00 C ATOM 898 O TRP A 59 7.253 8.480 0.946 1.00 0.00 O ATOM 899 CB TRP A 59 4.373 8.598 0.808 1.00 0.00 C ATOM 900 CG TRP A 59 4.037 9.953 0.252 1.00 0.00 C ATOM 901 CD1 TRP A 59 4.324 10.430 -0.997 1.00 0.00 C ATOM 902 CD2 TRP A 59 3.344 11.005 0.932 1.00 0.00 C ATOM 903 NE1 TRP A 59 3.853 11.712 -1.132 1.00 0.00 N ATOM 904 CE2 TRP A 59 3.247 12.088 0.038 1.00 0.00 C ATOM 905 CE3 TRP A 59 2.795 11.137 2.212 1.00 0.00 C ATOM 906 CZ2 TRP A 59 2.626 13.286 0.383 1.00 0.00 C ATOM 907 CZ3 TRP A 59 2.178 12.326 2.552 1.00 0.00 C ATOM 908 CH2 TRP A 59 2.098 13.386 1.641 1.00 0.00 C ATOM 0 H TRP A 59 5.582 6.156 1.203 1.00 0.00 H new ATOM 0 HA TRP A 59 4.845 7.823 -1.140 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.448 8.063 1.021 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.895 8.724 1.757 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.845 9.878 -1.765 1.00 0.00 H new ATOM 0 HE1 TRP A 59 3.940 12.291 -1.967 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.852 10.325 2.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.564 14.106 -0.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.750 12.439 3.537 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.609 14.302 1.938 1.00 0.00 H new ATOM 919 N ILE A 60 7.249 8.404 -1.306 1.00 0.00 N ATOM 920 CA ILE A 60 8.631 8.853 -1.429 1.00 0.00 C ATOM 921 C ILE A 60 8.908 9.450 -2.803 1.00 0.00 C ATOM 922 O ILE A 60 8.004 9.589 -3.627 1.00 0.00 O ATOM 923 CB ILE A 60 9.621 7.692 -1.198 1.00 0.00 C ATOM 924 CG1 ILE A 60 8.950 6.342 -1.473 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.169 7.733 0.218 1.00 0.00 C ATOM 926 CD1 ILE A 60 8.604 6.117 -2.929 1.00 0.00 C ATOM 0 H ILE A 60 6.782 8.222 -2.194 1.00 0.00 H new ATOM 0 HA ILE A 60 8.773 9.617 -0.665 1.00 0.00 H new ATOM 0 HB ILE A 60 10.451 7.809 -1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.612 5.543 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.040 6.271 -0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.865 6.907 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.688 8.678 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.347 7.644 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.133 5.141 -3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.916 6.894 -3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.513 6.154 -3.529 1.00 0.00 H new ATOM 938 N ASP A 61 10.174 9.778 -3.044 1.00 0.00 N ATOM 939 CA ASP A 61 10.597 10.319 -4.328 1.00 0.00 C ATOM 940 C ASP A 61 11.210 9.213 -5.182 1.00 0.00 C ATOM 941 O ASP A 61 11.230 9.297 -6.409 1.00 0.00 O ATOM 942 CB ASP A 61 11.612 11.446 -4.124 1.00 0.00 C ATOM 943 CG ASP A 61 11.607 12.443 -5.266 1.00 0.00 C ATOM 944 OD1 ASP A 61 12.284 12.184 -6.283 1.00 0.00 O ATOM 945 OD2 ASP A 61 10.928 13.483 -5.142 1.00 0.00 O ATOM 0 H ASP A 61 10.926 9.677 -2.363 1.00 0.00 H new ATOM 0 HA ASP A 61 9.725 10.724 -4.841 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.392 11.965 -3.191 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.610 11.019 -4.023 1.00 0.00 H new ATOM 950 N TYR A 62 11.696 8.171 -4.511 1.00 0.00 N ATOM 951 CA TYR A 62 12.291 7.026 -5.190 1.00 0.00 C ATOM 952 C TYR A 62 11.455 5.770 -4.947 1.00 0.00 C ATOM 953 O TYR A 62 11.375 5.283 -3.819 1.00 0.00 O ATOM 954 CB TYR A 62 13.723 6.803 -4.699 1.00 0.00 C ATOM 955 CG TYR A 62 14.735 7.727 -5.339 1.00 0.00 C ATOM 956 CD1 TYR A 62 15.323 7.408 -6.557 1.00 0.00 C ATOM 957 CD2 TYR A 62 15.102 8.918 -4.726 1.00 0.00 C ATOM 958 CE1 TYR A 62 16.248 8.249 -7.144 1.00 0.00 C ATOM 959 CE2 TYR A 62 16.026 9.765 -5.307 1.00 0.00 C ATOM 960 CZ TYR A 62 16.596 9.426 -6.516 1.00 0.00 C ATOM 961 OH TYR A 62 17.516 10.266 -7.097 1.00 0.00 O ATOM 0 H TYR A 62 11.688 8.098 -3.494 1.00 0.00 H new ATOM 0 HA TYR A 62 12.313 7.232 -6.260 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.752 6.939 -3.618 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.010 5.770 -4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 62 15.052 6.487 -7.053 1.00 0.00 H new ATOM 0 HD2 TYR A 62 14.658 9.187 -3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.697 7.986 -8.091 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.300 10.688 -4.817 1.00 0.00 H new ATOM 0 HH TYR A 62 17.648 11.052 -6.526 1.00 0.00 H new ATOM 971 N PRO A 63 10.803 5.239 -6.000 1.00 0.00 N ATOM 972 CA PRO A 63 9.950 4.050 -5.890 1.00 0.00 C ATOM 973 C PRO A 63 10.605 2.913 -5.113 1.00 0.00 C ATOM 974 O PRO A 63 11.418 2.165 -5.654 1.00 0.00 O ATOM 975 CB PRO A 63 9.732 3.643 -7.346 1.00 0.00 C ATOM 976 CG PRO A 63 9.822 4.920 -8.106 1.00 0.00 C ATOM 977 CD PRO A 63 10.834 5.766 -7.381 1.00 0.00 C ATOM 0 HA PRO A 63 9.032 4.263 -5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.487 2.930 -7.676 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.762 3.166 -7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.131 4.740 -9.136 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.854 5.419 -8.146 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.826 5.672 -7.824 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.569 6.823 -7.413 1.00 0.00 H new ATOM 985 N MET A 64 10.235 2.784 -3.841 1.00 0.00 N ATOM 986 CA MET A 64 10.765 1.724 -2.992 1.00 0.00 C ATOM 987 C MET A 64 10.256 0.364 -3.454 1.00 0.00 C ATOM 988 O MET A 64 10.904 -0.664 -3.245 1.00 0.00 O ATOM 989 CB MET A 64 10.369 1.962 -1.534 1.00 0.00 C ATOM 990 CG MET A 64 11.556 2.136 -0.602 1.00 0.00 C ATOM 991 SD MET A 64 12.338 3.753 -0.766 1.00 0.00 S ATOM 992 CE MET A 64 13.701 3.358 -1.857 1.00 0.00 C ATOM 0 H MET A 64 9.569 3.402 -3.377 1.00 0.00 H new ATOM 0 HA MET A 64 11.852 1.735 -3.069 1.00 0.00 H new ATOM 0 HB2 MET A 64 9.740 2.850 -1.477 1.00 0.00 H new ATOM 0 HB3 MET A 64 9.766 1.122 -1.188 1.00 0.00 H new ATOM 0 HG2 MET A 64 11.227 1.999 0.428 1.00 0.00 H new ATOM 0 HG3 MET A 64 12.292 1.359 -0.808 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.531 4.037 -1.662 1.00 0.00 H new ATOM 0 HE2 MET A 64 14.023 2.332 -1.681 1.00 0.00 H new ATOM 0 HE3 MET A 64 13.380 3.465 -2.893 1.00 0.00 H new ATOM 1002 N SER A 65 9.089 0.367 -4.091 1.00 0.00 N ATOM 1003 CA SER A 65 8.491 -0.862 -4.591 1.00 0.00 C ATOM 1004 C SER A 65 9.373 -1.496 -5.660 1.00 0.00 C ATOM 1005 O SER A 65 9.189 -2.659 -6.019 1.00 0.00 O ATOM 1006 CB SER A 65 7.096 -0.580 -5.156 1.00 0.00 C ATOM 1007 OG SER A 65 6.991 0.757 -5.614 1.00 0.00 O ATOM 0 H SER A 65 8.540 1.208 -4.272 1.00 0.00 H new ATOM 0 HA SER A 65 8.401 -1.562 -3.760 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.887 -1.266 -5.977 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.345 -0.764 -4.388 1.00 0.00 H new ATOM 0 HG SER A 65 6.778 0.759 -6.571 1.00 0.00 H new ATOM 1013 N LYS A 66 10.343 -0.730 -6.156 1.00 0.00 N ATOM 1014 CA LYS A 66 11.265 -1.224 -7.172 1.00 0.00 C ATOM 1015 C LYS A 66 12.011 -2.452 -6.662 1.00 0.00 C ATOM 1016 O LYS A 66 12.357 -3.346 -7.433 1.00 0.00 O ATOM 1017 CB LYS A 66 12.257 -0.129 -7.578 1.00 0.00 C ATOM 1018 CG LYS A 66 13.396 0.074 -6.589 1.00 0.00 C ATOM 1019 CD LYS A 66 14.749 -0.138 -7.249 1.00 0.00 C ATOM 1020 CE LYS A 66 15.275 1.147 -7.870 1.00 0.00 C ATOM 1021 NZ LYS A 66 15.473 2.216 -6.853 1.00 0.00 N ATOM 0 H LYS A 66 10.509 0.235 -5.870 1.00 0.00 H new ATOM 0 HA LYS A 66 10.686 -1.508 -8.051 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.676 -0.377 -8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.717 0.811 -7.693 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.345 1.081 -6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.284 -0.619 -5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.462 -0.504 -6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.663 -0.906 -8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.220 0.946 -8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.576 1.495 -8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.179 2.897 -7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.572 2.707 -6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.807 1.792 -5.964 1.00 0.00 H new ATOM 1035 N GLU A 67 12.254 -2.485 -5.355 1.00 0.00 N ATOM 1036 CA GLU A 67 12.920 -3.617 -4.726 1.00 0.00 C ATOM 1037 C GLU A 67 11.883 -4.592 -4.182 1.00 0.00 C ATOM 1038 O GLU A 67 12.132 -5.795 -4.076 1.00 0.00 O ATOM 1039 CB GLU A 67 13.835 -3.140 -3.599 1.00 0.00 C ATOM 1040 CG GLU A 67 15.280 -3.583 -3.762 1.00 0.00 C ATOM 1041 CD GLU A 67 16.268 -2.468 -3.477 1.00 0.00 C ATOM 1042 OE1 GLU A 67 16.276 -1.958 -2.338 1.00 0.00 O ATOM 1043 OE2 GLU A 67 17.034 -2.106 -4.396 1.00 0.00 O ATOM 0 H GLU A 67 11.998 -1.737 -4.710 1.00 0.00 H new ATOM 0 HA GLU A 67 13.529 -4.125 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.800 -2.052 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.454 -3.514 -2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.478 -4.419 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.432 -3.947 -4.778 1.00 0.00 H new ATOM 1050 N ARG A 68 10.706 -4.060 -3.865 1.00 0.00 N ATOM 1051 CA ARG A 68 9.614 -4.871 -3.343 1.00 0.00 C ATOM 1052 C ARG A 68 9.200 -5.945 -4.346 1.00 0.00 C ATOM 1053 O ARG A 68 8.905 -7.078 -3.963 1.00 0.00 O ATOM 1054 CB ARG A 68 8.413 -3.985 -3.006 1.00 0.00 C ATOM 1055 CG ARG A 68 8.435 -3.445 -1.584 1.00 0.00 C ATOM 1056 CD ARG A 68 7.602 -2.181 -1.453 1.00 0.00 C ATOM 1057 NE ARG A 68 6.864 -2.138 -0.193 1.00 0.00 N ATOM 1058 CZ ARG A 68 7.394 -1.744 0.961 1.00 0.00 C ATOM 1059 NH1 ARG A 68 8.662 -1.359 1.017 1.00 0.00 N ATOM 1060 NH2 ARG A 68 6.656 -1.734 2.064 1.00 0.00 N ATOM 0 H ARG A 68 10.485 -3.069 -3.961 1.00 0.00 H new ATOM 0 HA ARG A 68 9.964 -5.364 -2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.383 -3.148 -3.703 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.497 -4.557 -3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.056 -4.204 -0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.463 -3.236 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.253 -1.309 -1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.901 -2.121 -2.286 1.00 0.00 H new ATOM 0 HE ARG A 68 5.886 -2.427 -0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.234 -1.364 0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.065 -1.057 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.680 -2.029 2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.065 -1.431 2.948 1.00 0.00 H new ATOM 1074 N ILE A 69 9.181 -5.588 -5.629 1.00 0.00 N ATOM 1075 CA ILE A 69 8.784 -6.525 -6.676 1.00 0.00 C ATOM 1076 C ILE A 69 9.730 -7.731 -6.741 1.00 0.00 C ATOM 1077 O ILE A 69 9.279 -8.868 -6.631 1.00 0.00 O ATOM 1078 CB ILE A 69 8.707 -5.849 -8.059 1.00 0.00 C ATOM 1079 CG1 ILE A 69 7.855 -4.581 -7.983 1.00 0.00 C ATOM 1080 CG2 ILE A 69 8.137 -6.812 -9.091 1.00 0.00 C ATOM 1081 CD1 ILE A 69 8.331 -3.474 -8.901 1.00 0.00 C ATOM 0 H ILE A 69 9.435 -4.660 -5.967 1.00 0.00 H new ATOM 0 HA ILE A 69 7.786 -6.875 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 69 9.715 -5.572 -8.367 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.824 -4.831 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.854 -4.215 -6.956 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.089 -6.319 -10.062 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.778 -7.691 -9.162 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.135 -7.117 -8.790 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.679 -2.607 -8.793 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.351 -3.196 -8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.305 -3.821 -9.934 1.00 0.00 H new ATOM 1093 N PRO A 70 11.055 -7.511 -6.910 1.00 0.00 N ATOM 1094 CA PRO A 70 12.030 -8.607 -6.979 1.00 0.00 C ATOM 1095 C PRO A 70 11.821 -9.645 -5.880 1.00 0.00 C ATOM 1096 O PRO A 70 11.946 -10.846 -6.114 1.00 0.00 O ATOM 1097 CB PRO A 70 13.368 -7.894 -6.795 1.00 0.00 C ATOM 1098 CG PRO A 70 13.144 -6.530 -7.346 1.00 0.00 C ATOM 1099 CD PRO A 70 11.705 -6.192 -7.053 1.00 0.00 C ATOM 0 HA PRO A 70 11.951 -9.167 -7.911 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.655 -7.855 -5.744 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.168 -8.410 -7.326 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.816 -5.807 -6.883 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.340 -6.506 -8.418 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.611 -5.599 -6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.258 -5.611 -7.860 1.00 0.00 H new ATOM 1107 N GLU A 71 11.496 -9.174 -4.681 1.00 0.00 N ATOM 1108 CA GLU A 71 11.258 -10.066 -3.553 1.00 0.00 C ATOM 1109 C GLU A 71 9.980 -10.875 -3.757 1.00 0.00 C ATOM 1110 O GLU A 71 9.982 -12.105 -3.649 1.00 0.00 O ATOM 1111 CB GLU A 71 11.152 -9.261 -2.256 1.00 0.00 C ATOM 1112 CG GLU A 71 12.454 -9.183 -1.477 1.00 0.00 C ATOM 1113 CD GLU A 71 13.495 -8.324 -2.165 1.00 0.00 C ATOM 1114 OE1 GLU A 71 13.468 -7.090 -1.973 1.00 0.00 O ATOM 1115 OE2 GLU A 71 14.339 -8.884 -2.897 1.00 0.00 O ATOM 0 H GLU A 71 11.392 -8.182 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 71 12.100 -10.755 -3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.819 -8.250 -2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.386 -9.709 -1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.255 -8.780 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.851 -10.189 -1.340 1.00 0.00 H new ATOM 1122 N THR A 72 8.891 -10.174 -4.054 1.00 0.00 N ATOM 1123 CA THR A 72 7.596 -10.813 -4.238 1.00 0.00 C ATOM 1124 C THR A 72 7.615 -11.825 -5.383 1.00 0.00 C ATOM 1125 O THR A 72 7.014 -12.890 -5.279 1.00 0.00 O ATOM 1126 CB THR A 72 6.513 -9.763 -4.487 1.00 0.00 C ATOM 1127 OG1 THR A 72 6.759 -8.597 -3.721 1.00 0.00 O ATOM 1128 CG2 THR A 72 5.121 -10.250 -4.149 1.00 0.00 C ATOM 0 H THR A 72 8.881 -9.161 -4.172 1.00 0.00 H new ATOM 0 HA THR A 72 7.370 -11.355 -3.320 1.00 0.00 H new ATOM 0 HB THR A 72 6.557 -9.549 -5.555 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.397 -8.023 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.400 -9.457 -4.348 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.882 -11.120 -4.760 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.077 -10.524 -3.095 1.00 0.00 H new ATOM 1136 N VAL A 73 8.294 -11.493 -6.480 1.00 0.00 N ATOM 1137 CA VAL A 73 8.355 -12.384 -7.617 1.00 0.00 C ATOM 1138 C VAL A 73 9.092 -13.667 -7.261 1.00 0.00 C ATOM 1139 O VAL A 73 8.787 -14.734 -7.798 1.00 0.00 O ATOM 1140 CB VAL A 73 9.040 -11.711 -8.821 1.00 0.00 C ATOM 1141 CG1 VAL A 73 8.387 -10.377 -9.144 1.00 0.00 C ATOM 1142 CG2 VAL A 73 10.530 -11.537 -8.575 1.00 0.00 C ATOM 0 H VAL A 73 8.804 -10.617 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 73 7.329 -12.627 -7.893 1.00 0.00 H new ATOM 0 HB VAL A 73 8.915 -12.366 -9.683 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.890 -9.923 -9.998 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.336 -10.535 -9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.467 -9.715 -8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.988 -11.060 -9.441 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.683 -10.914 -7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.988 -12.513 -8.414 1.00 0.00 H new ATOM 1152 N LYS A 74 10.040 -13.568 -6.334 1.00 0.00 N ATOM 1153 CA LYS A 74 10.771 -14.741 -5.879 1.00 0.00 C ATOM 1154 C LYS A 74 9.785 -15.757 -5.323 1.00 0.00 C ATOM 1155 O LYS A 74 9.854 -16.947 -5.636 1.00 0.00 O ATOM 1156 CB LYS A 74 11.791 -14.357 -4.806 1.00 0.00 C ATOM 1157 CG LYS A 74 13.133 -15.059 -4.962 1.00 0.00 C ATOM 1158 CD LYS A 74 14.223 -14.090 -5.394 1.00 0.00 C ATOM 1159 CE LYS A 74 15.562 -14.443 -4.768 1.00 0.00 C ATOM 1160 NZ LYS A 74 16.390 -15.300 -5.663 1.00 0.00 N ATOM 0 H LYS A 74 10.317 -12.694 -5.887 1.00 0.00 H new ATOM 0 HA LYS A 74 11.311 -15.175 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.949 -13.279 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.379 -14.592 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.413 -15.525 -4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.043 -15.858 -5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.313 -14.103 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.943 -13.076 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.107 -13.527 -4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.395 -14.961 -3.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.294 -15.517 -5.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.882 -16.185 -5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.572 -14.797 -6.555 1.00 0.00 H new ATOM 1174 N LYS A 75 8.825 -15.261 -4.548 1.00 0.00 N ATOM 1175 CA LYS A 75 7.780 -16.111 -3.985 1.00 0.00 C ATOM 1176 C LYS A 75 6.575 -16.189 -4.929 1.00 0.00 C ATOM 1177 O LYS A 75 6.377 -17.198 -5.606 1.00 0.00 O ATOM 1178 CB LYS A 75 7.350 -15.613 -2.599 1.00 0.00 C ATOM 1179 CG LYS A 75 7.169 -14.105 -2.499 1.00 0.00 C ATOM 1180 CD LYS A 75 8.156 -13.486 -1.525 1.00 0.00 C ATOM 1181 CE LYS A 75 7.449 -12.914 -0.307 1.00 0.00 C ATOM 1182 NZ LYS A 75 8.346 -12.861 0.879 1.00 0.00 N ATOM 0 H LYS A 75 8.749 -14.276 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 75 8.191 -17.114 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.412 -16.098 -2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.094 -15.926 -1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.299 -13.656 -3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.152 -13.881 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.878 -14.239 -1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.717 -12.697 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.088 -11.911 -0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.575 -13.523 -0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.926 -12.245 1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.467 -13.819 1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.273 -12.482 0.597 1.00 0.00 H new ATOM 1196 N LEU A 76 5.745 -15.145 -4.932 1.00 0.00 N ATOM 1197 CA LEU A 76 4.583 -15.091 -5.814 1.00 0.00 C ATOM 1198 C LEU A 76 4.883 -14.243 -7.045 1.00 0.00 C ATOM 1199 O LEU A 76 5.486 -14.716 -8.009 1.00 0.00 O ATOM 1200 CB LEU A 76 3.359 -14.527 -5.079 1.00 0.00 C ATOM 1201 CG LEU A 76 3.666 -13.665 -3.853 1.00 0.00 C ATOM 1202 CD1 LEU A 76 2.590 -12.607 -3.662 1.00 0.00 C ATOM 1203 CD2 LEU A 76 3.786 -14.530 -2.607 1.00 0.00 C ATOM 0 H LEU A 76 5.857 -14.327 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 76 4.359 -16.110 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.777 -13.932 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.729 -15.360 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 76 4.620 -13.163 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.825 -12.003 -2.785 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.549 -11.967 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.624 -13.092 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.005 -13.899 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.848 -15.060 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.591 -15.252 -2.741 1.00 0.00 H new ATOM 1215 N GLY A 77 4.464 -12.981 -6.993 1.00 0.00 N ATOM 1216 CA GLY A 77 4.703 -12.066 -8.087 1.00 0.00 C ATOM 1217 C GLY A 77 4.956 -10.656 -7.594 1.00 0.00 C ATOM 1218 O GLY A 77 6.102 -10.254 -7.408 1.00 0.00 O ATOM 0 H GLY A 77 3.959 -12.577 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.560 -12.408 -8.667 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.844 -12.068 -8.757 1.00 0.00 H new ATOM 1222 N HIS A 78 3.886 -9.899 -7.396 1.00 0.00 N ATOM 1223 CA HIS A 78 4.001 -8.533 -6.898 1.00 0.00 C ATOM 1224 C HIS A 78 2.810 -8.175 -6.020 1.00 0.00 C ATOM 1225 O HIS A 78 1.724 -8.735 -6.171 1.00 0.00 O ATOM 1226 CB HIS A 78 4.117 -7.545 -8.062 1.00 0.00 C ATOM 1227 CG HIS A 78 3.575 -8.072 -9.355 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.363 -8.719 -9.412 1.00 0.00 N ATOM 1229 CD2 HIS A 78 4.113 -8.030 -10.598 1.00 0.00 C ATOM 1230 CE1 HIS A 78 2.190 -9.052 -10.678 1.00 0.00 C ATOM 1231 NE2 HIS A 78 3.224 -8.655 -11.433 1.00 0.00 N ATOM 0 H HIS A 78 2.929 -10.206 -7.572 1.00 0.00 H new ATOM 0 HA HIS A 78 4.906 -8.468 -6.293 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.587 -6.628 -7.803 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.165 -7.280 -8.199 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.059 -7.589 -10.877 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.326 -9.577 -11.057 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.329 -8.792 -12.438 1.00 0.00 H new ATOM 1239 N GLU A 79 3.017 -7.234 -5.104 1.00 0.00 N ATOM 1240 CA GLU A 79 1.968 -6.786 -4.219 1.00 0.00 C ATOM 1241 C GLU A 79 1.411 -5.460 -4.715 1.00 0.00 C ATOM 1242 O GLU A 79 1.552 -4.432 -4.060 1.00 0.00 O ATOM 1243 CB GLU A 79 2.529 -6.632 -2.808 1.00 0.00 C ATOM 1244 CG GLU A 79 3.564 -7.684 -2.448 1.00 0.00 C ATOM 1245 CD GLU A 79 4.765 -7.098 -1.733 1.00 0.00 C ATOM 1246 OE1 GLU A 79 5.546 -6.372 -2.382 1.00 0.00 O ATOM 1247 OE2 GLU A 79 4.925 -7.365 -0.523 1.00 0.00 O ATOM 0 H GLU A 79 3.913 -6.768 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 79 1.162 -7.519 -4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.978 -5.644 -2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.708 -6.681 -2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.102 -8.441 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.896 -8.188 -3.356 1.00 0.00 H new ATOM 1254 N VAL A 80 0.815 -5.485 -5.899 1.00 0.00 N ATOM 1255 CA VAL A 80 0.287 -4.274 -6.510 1.00 0.00 C ATOM 1256 C VAL A 80 -1.215 -4.156 -6.297 1.00 0.00 C ATOM 1257 O VAL A 80 -1.975 -5.070 -6.622 1.00 0.00 O ATOM 1258 CB VAL A 80 0.584 -4.220 -8.023 1.00 0.00 C ATOM 1259 CG1 VAL A 80 1.171 -2.869 -8.402 1.00 0.00 C ATOM 1260 CG2 VAL A 80 1.518 -5.351 -8.437 1.00 0.00 C ATOM 0 H VAL A 80 0.685 -6.330 -6.455 1.00 0.00 H new ATOM 0 HA VAL A 80 0.788 -3.439 -6.021 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.356 -4.350 -8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.375 -2.848 -9.473 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.461 -2.081 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.099 -2.709 -7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.711 -5.290 -9.508 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.459 -5.264 -7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.053 -6.310 -8.206 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.638 -3.012 -5.774 1.00 0.00 N ATOM 1271 CA LEU A 81 -3.049 -2.762 -5.527 1.00 0.00 C ATOM 1272 C LEU A 81 -3.451 -1.388 -6.044 1.00 0.00 C ATOM 1273 O LEU A 81 -4.555 -1.209 -6.560 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.361 -2.887 -4.031 1.00 0.00 C ATOM 1275 CG LEU A 81 -3.033 -1.654 -3.187 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -4.296 -0.862 -2.883 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -2.334 -2.059 -1.899 1.00 0.00 C ATOM 0 H LEU A 81 -1.021 -2.243 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.629 -3.511 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.421 -3.114 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.808 -3.737 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.358 -1.017 -3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.042 0.011 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.756 -0.538 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.996 -1.491 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.109 -1.169 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.984 -2.718 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.407 -2.581 -2.137 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.550 -0.420 -5.915 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.830 0.932 -6.394 1.00 0.00 C ATOM 1291 C GLU A 82 -1.552 1.691 -6.739 1.00 0.00 C ATOM 1292 O GLU A 82 -0.491 1.441 -6.168 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.636 1.710 -5.352 1.00 0.00 C ATOM 1294 CG GLU A 82 -4.665 2.649 -5.958 1.00 0.00 C ATOM 1295 CD GLU A 82 -4.734 3.981 -5.238 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -4.850 3.980 -3.994 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -4.675 5.027 -5.920 1.00 0.00 O ATOM 0 H GLU A 82 -1.631 -0.541 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.416 0.838 -7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.143 1.003 -4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.951 2.287 -4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.423 2.819 -7.007 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.646 2.174 -5.930 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.674 2.629 -7.677 1.00 0.00 N ATOM 1305 CA ILE A 83 -0.549 3.460 -8.100 1.00 0.00 C ATOM 1306 C ILE A 83 -1.027 4.875 -8.419 1.00 0.00 C ATOM 1307 O ILE A 83 -2.050 5.056 -9.078 1.00 0.00 O ATOM 1308 CB ILE A 83 0.160 2.873 -9.338 1.00 0.00 C ATOM 1309 CG1 ILE A 83 0.796 1.524 -9.002 1.00 0.00 C ATOM 1310 CG2 ILE A 83 1.213 3.841 -9.859 1.00 0.00 C ATOM 1311 CD1 ILE A 83 0.205 0.367 -9.777 1.00 0.00 C ATOM 0 H ILE A 83 -2.548 2.833 -8.161 1.00 0.00 H new ATOM 0 HA ILE A 83 0.163 3.486 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.585 2.719 -10.119 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.866 1.576 -9.203 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.681 1.333 -7.935 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.703 3.410 -10.732 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.737 4.781 -10.137 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.954 4.025 -9.081 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.704 -0.558 -9.487 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.860 0.288 -9.558 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.344 0.535 -10.845 1.00 0.00 H new ATOM 1323 N GLU A 84 -0.291 5.874 -7.938 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.656 7.267 -8.171 1.00 0.00 C ATOM 1325 C GLU A 84 0.545 8.188 -8.004 1.00 0.00 C ATOM 1326 O GLU A 84 1.654 7.740 -7.716 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.773 7.686 -7.213 1.00 0.00 C ATOM 1328 CG GLU A 84 -1.602 7.141 -5.804 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.578 7.754 -4.818 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -3.723 8.051 -5.221 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -2.197 7.938 -3.643 1.00 0.00 O ATOM 0 H GLU A 84 0.558 5.745 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.010 7.354 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.814 8.774 -7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.729 7.346 -7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.737 6.059 -5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.583 7.331 -5.466 1.00 0.00 H new ATOM 1338 N GLU A 85 0.308 9.482 -8.181 1.00 0.00 N ATOM 1339 CA GLU A 85 1.362 10.481 -8.044 1.00 0.00 C ATOM 1340 C GLU A 85 0.882 11.658 -7.199 1.00 0.00 C ATOM 1341 O GLU A 85 -0.310 11.790 -6.922 1.00 0.00 O ATOM 1342 CB GLU A 85 1.809 10.976 -9.423 1.00 0.00 C ATOM 1343 CG GLU A 85 0.696 11.622 -10.230 1.00 0.00 C ATOM 1344 CD GLU A 85 0.711 11.198 -11.687 1.00 0.00 C ATOM 1345 OE1 GLU A 85 1.521 11.753 -12.459 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -0.090 10.314 -12.056 1.00 0.00 O ATOM 0 H GLU A 85 -0.606 9.865 -8.420 1.00 0.00 H new ATOM 0 HA GLU A 85 2.210 10.015 -7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.618 11.695 -9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.214 10.136 -9.987 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.266 11.361 -9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.791 12.706 -10.170 1.00 0.00 H new ATOM 1353 N VAL A 86 1.818 12.506 -6.786 1.00 0.00 N ATOM 1354 CA VAL A 86 1.490 13.668 -5.965 1.00 0.00 C ATOM 1355 C VAL A 86 2.100 14.940 -6.541 1.00 0.00 C ATOM 1356 O VAL A 86 1.389 15.894 -6.859 1.00 0.00 O ATOM 1357 CB VAL A 86 1.970 13.498 -4.509 1.00 0.00 C ATOM 1358 CG1 VAL A 86 0.810 13.673 -3.541 1.00 0.00 C ATOM 1359 CG2 VAL A 86 2.640 12.146 -4.310 1.00 0.00 C ATOM 0 H VAL A 86 2.810 12.411 -7.006 1.00 0.00 H new ATOM 0 HA VAL A 86 0.403 13.751 -5.969 1.00 0.00 H new ATOM 0 HB VAL A 86 2.709 14.272 -4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.167 13.550 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.385 14.670 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.045 12.925 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.969 12.052 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.930 11.351 -4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.501 12.066 -4.973 1.00 0.00 H new ATOM 1369 N GLY A 87 3.424 14.950 -6.668 1.00 0.00 N ATOM 1370 CA GLY A 87 4.108 16.116 -7.195 1.00 0.00 C ATOM 1371 C GLY A 87 4.988 15.789 -8.388 1.00 0.00 C ATOM 1372 O GLY A 87 4.710 14.843 -9.124 1.00 0.00 O ATOM 0 H GLY A 87 4.034 14.172 -6.416 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.371 16.864 -7.487 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.719 16.560 -6.409 1.00 0.00 H new ATOM 1376 N PRO A 88 6.067 16.564 -8.607 1.00 0.00 N ATOM 1377 CA PRO A 88 6.979 16.354 -9.738 1.00 0.00 C ATOM 1378 C PRO A 88 7.686 15.003 -9.678 1.00 0.00 C ATOM 1379 O PRO A 88 7.353 14.085 -10.428 1.00 0.00 O ATOM 1380 CB PRO A 88 7.996 17.495 -9.609 1.00 0.00 C ATOM 1381 CG PRO A 88 7.346 18.501 -8.719 1.00 0.00 C ATOM 1382 CD PRO A 88 6.469 17.719 -7.787 1.00 0.00 C ATOM 0 HA PRO A 88 6.443 16.352 -10.687 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.934 17.140 -9.182 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.231 17.925 -10.583 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.091 19.073 -8.166 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.761 19.215 -9.299 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.006 17.411 -6.890 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.608 18.301 -7.459 1.00 0.00 H new ATOM 1390 N SER A 89 8.673 14.891 -8.792 1.00 0.00 N ATOM 1391 CA SER A 89 9.437 13.655 -8.655 1.00 0.00 C ATOM 1392 C SER A 89 8.927 12.817 -7.489 1.00 0.00 C ATOM 1393 O SER A 89 9.399 11.703 -7.257 1.00 0.00 O ATOM 1394 CB SER A 89 10.923 13.969 -8.464 1.00 0.00 C ATOM 1395 OG SER A 89 11.223 15.290 -8.880 1.00 0.00 O ATOM 0 H SER A 89 8.961 15.639 -8.161 1.00 0.00 H new ATOM 0 HA SER A 89 9.308 13.078 -9.570 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.192 13.845 -7.415 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.524 13.260 -9.033 1.00 0.00 H new ATOM 0 HG SER A 89 12.178 15.466 -8.746 1.00 0.00 H new ATOM 1401 N GLU A 90 7.965 13.361 -6.758 1.00 0.00 N ATOM 1402 CA GLU A 90 7.370 12.657 -5.627 1.00 0.00 C ATOM 1403 C GLU A 90 6.125 11.896 -6.069 1.00 0.00 C ATOM 1404 O GLU A 90 5.203 12.477 -6.641 1.00 0.00 O ATOM 1405 CB GLU A 90 7.016 13.638 -4.506 1.00 0.00 C ATOM 1406 CG GLU A 90 6.535 14.992 -5.006 1.00 0.00 C ATOM 1407 CD GLU A 90 6.491 16.037 -3.909 1.00 0.00 C ATOM 1408 OE1 GLU A 90 7.570 16.524 -3.510 1.00 0.00 O ATOM 1409 OE2 GLU A 90 5.379 16.369 -3.449 1.00 0.00 O ATOM 0 H GLU A 90 7.578 14.289 -6.927 1.00 0.00 H new ATOM 0 HA GLU A 90 8.101 11.944 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.241 13.196 -3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.892 13.784 -3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.194 15.336 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.541 14.883 -5.439 1.00 0.00 H new ATOM 1416 N TRP A 91 6.110 10.589 -5.822 1.00 0.00 N ATOM 1417 CA TRP A 91 4.983 9.754 -6.221 1.00 0.00 C ATOM 1418 C TRP A 91 4.490 8.894 -5.062 1.00 0.00 C ATOM 1419 O TRP A 91 5.156 8.774 -4.032 1.00 0.00 O ATOM 1420 CB TRP A 91 5.379 8.856 -7.397 1.00 0.00 C ATOM 1421 CG TRP A 91 6.076 9.587 -8.504 1.00 0.00 C ATOM 1422 CD1 TRP A 91 5.585 10.631 -9.235 1.00 0.00 C ATOM 1423 CD2 TRP A 91 7.389 9.324 -9.011 1.00 0.00 C ATOM 1424 NE1 TRP A 91 6.514 11.033 -10.165 1.00 0.00 N ATOM 1425 CE2 TRP A 91 7.630 10.247 -10.047 1.00 0.00 C ATOM 1426 CE3 TRP A 91 8.385 8.397 -8.689 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 8.826 10.269 -10.760 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 9.571 8.421 -9.399 1.00 0.00 C ATOM 1429 CH2 TRP A 91 9.783 9.351 -10.424 1.00 0.00 C ATOM 0 H TRP A 91 6.862 10.088 -5.350 1.00 0.00 H new ATOM 0 HA TRP A 91 4.172 10.416 -6.525 1.00 0.00 H new ATOM 0 HB2 TRP A 91 6.029 8.061 -7.033 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.484 8.378 -7.796 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.610 11.076 -9.102 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.392 11.793 -10.834 1.00 0.00 H new ATOM 0 HE3 TRP A 91 8.231 7.676 -7.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 8.992 10.986 -11.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 10.348 7.710 -9.159 1.00 0.00 H new ATOM 0 HH2 TRP A 91 10.721 9.343 -10.960 1.00 0.00 H new ATOM 1440 N LYS A 92 3.319 8.290 -5.248 1.00 0.00 N ATOM 1441 CA LYS A 92 2.732 7.425 -4.233 1.00 0.00 C ATOM 1442 C LYS A 92 2.456 6.039 -4.804 1.00 0.00 C ATOM 1443 O LYS A 92 1.896 5.905 -5.890 1.00 0.00 O ATOM 1444 CB LYS A 92 1.433 8.036 -3.699 1.00 0.00 C ATOM 1445 CG LYS A 92 1.537 8.532 -2.266 1.00 0.00 C ATOM 1446 CD LYS A 92 0.189 8.993 -1.734 1.00 0.00 C ATOM 1447 CE LYS A 92 0.337 9.762 -0.431 1.00 0.00 C ATOM 1448 NZ LYS A 92 0.034 11.209 -0.603 1.00 0.00 N ATOM 0 H LYS A 92 2.758 8.385 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 92 3.443 7.330 -3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.141 8.867 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.639 7.291 -3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.926 7.735 -1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.249 9.355 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.300 9.624 -2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.456 8.129 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.331 9.338 0.319 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.353 9.646 -0.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.881 11.770 -0.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.253 11.389 -1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.739 11.480 0.038 1.00 0.00 H new ATOM 1462 N ILE A 93 2.852 5.013 -4.064 1.00 0.00 N ATOM 1463 CA ILE A 93 2.648 3.636 -4.495 1.00 0.00 C ATOM 1464 C ILE A 93 1.904 2.844 -3.430 1.00 0.00 C ATOM 1465 O ILE A 93 2.071 3.083 -2.235 1.00 0.00 O ATOM 1466 CB ILE A 93 3.987 2.932 -4.797 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.887 3.832 -5.646 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.744 1.604 -5.502 1.00 0.00 C ATOM 1469 CD1 ILE A 93 6.295 3.957 -5.106 1.00 0.00 C ATOM 0 H ILE A 93 3.317 5.108 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 93 2.055 3.672 -5.409 1.00 0.00 H new ATOM 0 HB ILE A 93 4.492 2.733 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.929 3.437 -6.661 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.441 4.824 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.699 1.121 -5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.141 0.958 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.218 1.781 -6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.878 4.609 -5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.263 4.380 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.760 2.972 -5.070 1.00 0.00 H new ATOM 1481 N TYR A 94 1.086 1.898 -3.870 1.00 0.00 N ATOM 1482 CA TYR A 94 0.330 1.059 -2.952 1.00 0.00 C ATOM 1483 C TYR A 94 0.734 -0.398 -3.122 1.00 0.00 C ATOM 1484 O TYR A 94 0.625 -0.960 -4.216 1.00 0.00 O ATOM 1485 CB TYR A 94 -1.171 1.222 -3.183 1.00 0.00 C ATOM 1486 CG TYR A 94 -1.754 2.457 -2.534 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.609 3.708 -3.119 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.455 2.369 -1.338 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -2.142 4.838 -2.531 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -2.991 3.495 -0.742 1.00 0.00 C ATOM 1491 CZ TYR A 94 -2.832 4.727 -1.342 1.00 0.00 C ATOM 1492 OH TYR A 94 -3.365 5.850 -0.752 1.00 0.00 O ATOM 0 H TYR A 94 0.929 1.693 -4.857 1.00 0.00 H new ATOM 0 HA TYR A 94 0.556 1.372 -1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.363 1.261 -4.255 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.687 0.342 -2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.070 3.799 -4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.583 1.406 -0.867 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.019 5.803 -3.000 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.532 3.411 0.189 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.953 5.984 0.127 1.00 0.00 H new ATOM 1502 N ILE A 95 1.153 -1.008 -2.018 1.00 0.00 N ATOM 1503 CA ILE A 95 1.642 -2.380 -2.021 1.00 0.00 C ATOM 1504 C ILE A 95 0.845 -3.228 -1.034 1.00 0.00 C ATOM 1505 O ILE A 95 0.324 -2.706 -0.049 1.00 0.00 O ATOM 1506 CB ILE A 95 3.142 -2.410 -1.643 1.00 0.00 C ATOM 1507 CG1 ILE A 95 3.986 -1.771 -2.753 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.612 -3.829 -1.360 1.00 0.00 C ATOM 1509 CD1 ILE A 95 3.958 -2.530 -4.063 1.00 0.00 C ATOM 0 H ILE A 95 1.163 -0.566 -1.099 1.00 0.00 H new ATOM 0 HA ILE A 95 1.517 -2.791 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 95 3.271 -1.830 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.631 -0.755 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.018 -1.694 -2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.670 -3.816 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.037 -4.244 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.466 -4.445 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.579 -2.014 -4.796 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.342 -3.538 -3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.933 -2.585 -4.430 1.00 0.00 H new ATOM 1521 N LYS A 96 0.681 -4.518 -1.332 1.00 0.00 N ATOM 1522 CA LYS A 96 -0.118 -5.383 -0.463 1.00 0.00 C ATOM 1523 C LYS A 96 0.353 -6.834 -0.507 1.00 0.00 C ATOM 1524 O LYS A 96 0.102 -7.551 -1.477 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.596 -5.287 -0.861 1.00 0.00 C ATOM 1526 CG LYS A 96 -2.437 -6.486 -0.451 1.00 0.00 C ATOM 1527 CD LYS A 96 -3.012 -7.197 -1.663 1.00 0.00 C ATOM 1528 CE LYS A 96 -4.525 -7.320 -1.573 1.00 0.00 C ATOM 1529 NZ LYS A 96 -4.957 -8.726 -1.350 1.00 0.00 N ATOM 0 H LYS A 96 1.081 -4.979 -2.149 1.00 0.00 H new ATOM 0 HA LYS A 96 0.009 -5.037 0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.023 -4.389 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.661 -5.166 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.826 -7.181 0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.248 -6.159 0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.744 -6.651 -2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.570 -8.190 -1.747 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.892 -6.694 -0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.975 -6.944 -2.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.995 -8.766 -1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.629 -9.319 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.549 -9.077 -0.460 1.00 0.00 H new ATOM 1543 N VAL A 97 1.017 -7.268 0.561 1.00 0.00 N ATOM 1544 CA VAL A 97 1.504 -8.640 0.650 1.00 0.00 C ATOM 1545 C VAL A 97 0.348 -9.627 0.557 1.00 0.00 C ATOM 1546 O VAL A 97 -0.562 -9.607 1.388 1.00 0.00 O ATOM 1547 CB VAL A 97 2.274 -8.896 1.961 1.00 0.00 C ATOM 1548 CG1 VAL A 97 3.280 -10.024 1.776 1.00 0.00 C ATOM 1549 CG2 VAL A 97 2.966 -7.630 2.443 1.00 0.00 C ATOM 0 H VAL A 97 1.229 -6.691 1.375 1.00 0.00 H new ATOM 0 HA VAL A 97 2.187 -8.785 -0.187 1.00 0.00 H new ATOM 0 HB VAL A 97 1.556 -9.196 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.815 -10.192 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.756 -10.936 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.991 -9.753 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.502 -7.838 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.671 -7.289 1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.222 -6.854 2.621 1.00 0.00 H new ATOM 1559 N LYS A 98 0.387 -10.480 -0.463 1.00 0.00 N ATOM 1560 CA LYS A 98 -0.660 -11.473 -0.672 1.00 0.00 C ATOM 1561 C LYS A 98 -0.370 -12.744 0.120 1.00 0.00 C ATOM 1562 O LYS A 98 -1.244 -13.159 0.911 1.00 0.00 O ATOM 1563 CB LYS A 98 -0.783 -11.805 -2.160 1.00 0.00 C ATOM 1564 CG LYS A 98 -2.210 -11.741 -2.682 1.00 0.00 C ATOM 1565 CD LYS A 98 -2.629 -13.053 -3.324 1.00 0.00 C ATOM 1566 CE LYS A 98 -3.038 -14.079 -2.280 1.00 0.00 C ATOM 1567 NZ LYS A 98 -4.490 -13.998 -1.962 1.00 0.00 N ATOM 1568 OXT LYS A 98 0.727 -13.313 -0.056 1.00 0.00 O ATOM 0 H LYS A 98 1.133 -10.503 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.602 -11.053 -0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.165 -11.112 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.386 -12.805 -2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.888 -11.503 -1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.296 -10.935 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.460 -12.876 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.806 -13.447 -3.920 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.801 -15.080 -2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.458 -13.923 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.729 -14.714 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.712 -13.051 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.045 -14.172 -2.824 1.00 0.00 H new