USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=12 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 92 LYS NZ :NH3+ -164:sc= 0.0317 (180deg=0) USER MOD Set 1.2: A 94 TYR OH : rot -129:sc= 0.269 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 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 146:sc= -0.243 (180deg=-1.34!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 50 MET CE :methyl -126:sc= -0.429 (180deg=-3.59!) 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 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -63:sc= 0.0092! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.172 K(o=-0.17,f=-1.1) USER MOD Single : A 89 SER OG : rot 82:sc= 0.281 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0373) USER MOD ----------------------------------------------------------------- ATOM 358 N VAL A 25 -5.725 0.270 5.070 1.00 0.00 N ATOM 359 CA VAL A 25 -4.299 -0.031 5.007 1.00 0.00 C ATOM 360 C VAL A 25 -3.772 -0.428 6.386 1.00 0.00 C ATOM 361 O VAL A 25 -4.320 -0.017 7.409 1.00 0.00 O ATOM 362 CB VAL A 25 -3.499 1.169 4.467 1.00 0.00 C ATOM 363 CG1 VAL A 25 -2.002 0.905 4.526 1.00 0.00 C ATOM 364 CG2 VAL A 25 -3.929 1.501 3.045 1.00 0.00 C ATOM 0 HA VAL A 25 -4.168 -0.868 4.321 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.712 2.028 5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.464 1.770 4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.704 0.726 5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.763 0.029 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.353 2.351 2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.752 0.640 2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.990 1.750 3.035 1.00 0.00 H new ATOM 374 N THR A 26 -2.711 -1.230 6.407 1.00 0.00 N ATOM 375 CA THR A 26 -2.125 -1.689 7.661 1.00 0.00 C ATOM 376 C THR A 26 -0.908 -0.851 8.033 1.00 0.00 C ATOM 377 O THR A 26 -0.925 -0.128 9.030 1.00 0.00 O ATOM 378 CB THR A 26 -1.729 -3.163 7.554 1.00 0.00 C ATOM 379 OG1 THR A 26 -2.587 -3.849 6.658 1.00 0.00 O ATOM 380 CG2 THR A 26 -1.770 -3.892 8.879 1.00 0.00 C ATOM 0 H THR A 26 -2.240 -1.575 5.570 1.00 0.00 H new ATOM 0 HA THR A 26 -2.874 -1.576 8.445 1.00 0.00 H new ATOM 0 HB THR A 26 -0.701 -3.160 7.192 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.317 -4.789 6.602 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.478 -4.932 8.731 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.080 -3.417 9.577 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.781 -3.853 9.285 1.00 0.00 H new ATOM 388 N LYS A 27 0.147 -0.944 7.228 1.00 0.00 N ATOM 389 CA LYS A 27 1.363 -0.180 7.483 1.00 0.00 C ATOM 390 C LYS A 27 1.489 0.985 6.508 1.00 0.00 C ATOM 391 O LYS A 27 1.044 0.902 5.363 1.00 0.00 O ATOM 392 CB LYS A 27 2.594 -1.082 7.382 1.00 0.00 C ATOM 393 CG LYS A 27 3.531 -0.966 8.573 1.00 0.00 C ATOM 394 CD LYS A 27 4.787 -0.187 8.220 1.00 0.00 C ATOM 395 CE LYS A 27 5.956 -1.115 7.935 1.00 0.00 C ATOM 396 NZ LYS A 27 5.740 -1.918 6.700 1.00 0.00 N ATOM 0 H LYS A 27 0.184 -1.537 6.399 1.00 0.00 H new ATOM 0 HA LYS A 27 1.301 0.221 8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.269 -2.118 7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.142 -0.834 6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.015 -0.472 9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.805 -1.962 8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.596 0.438 7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.044 0.482 9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.868 -0.528 7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.103 -1.785 8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.560 -2.538 6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.883 -2.498 6.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.626 -1.280 5.887 1.00 0.00 H new ATOM 410 N THR A 28 2.096 2.073 6.972 1.00 0.00 N ATOM 411 CA THR A 28 2.278 3.260 6.145 1.00 0.00 C ATOM 412 C THR A 28 3.703 3.791 6.263 1.00 0.00 C ATOM 413 O THR A 28 4.096 4.310 7.307 1.00 0.00 O ATOM 414 CB THR A 28 1.280 4.346 6.556 1.00 0.00 C ATOM 415 OG1 THR A 28 -0.051 3.876 6.426 1.00 0.00 O ATOM 416 CG2 THR A 28 1.401 5.616 5.743 1.00 0.00 C ATOM 0 H THR A 28 2.470 2.157 7.917 1.00 0.00 H new ATOM 0 HA THR A 28 2.099 2.983 5.106 1.00 0.00 H new ATOM 0 HB THR A 28 1.519 4.579 7.594 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.675 4.582 6.694 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.664 6.341 6.089 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.402 6.031 5.863 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.225 5.393 4.691 1.00 0.00 H new ATOM 424 N LEU A 29 4.472 3.659 5.186 1.00 0.00 N ATOM 425 CA LEU A 29 5.851 4.131 5.173 1.00 0.00 C ATOM 426 C LEU A 29 5.957 5.479 4.469 1.00 0.00 C ATOM 427 O LEU A 29 5.966 5.549 3.241 1.00 0.00 O ATOM 428 CB LEU A 29 6.759 3.110 4.485 1.00 0.00 C ATOM 429 CG LEU A 29 8.241 3.219 4.848 1.00 0.00 C ATOM 430 CD1 LEU A 29 8.926 1.868 4.710 1.00 0.00 C ATOM 431 CD2 LEU A 29 8.928 4.260 3.977 1.00 0.00 C ATOM 0 H LEU A 29 4.164 3.230 4.313 1.00 0.00 H new ATOM 0 HA LEU A 29 6.175 4.253 6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.411 2.108 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.655 3.222 3.406 1.00 0.00 H new ATOM 0 HG LEU A 29 8.318 3.537 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.979 1.966 4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.451 1.149 5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.839 1.520 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.982 4.324 4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.841 3.973 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.455 5.230 4.128 1.00 0.00 H new ATOM 443 N ASP A 30 6.042 6.546 5.257 1.00 0.00 N ATOM 444 CA ASP A 30 6.157 7.894 4.714 1.00 0.00 C ATOM 445 C ASP A 30 7.456 8.547 5.172 1.00 0.00 C ATOM 446 O ASP A 30 7.553 9.035 6.298 1.00 0.00 O ATOM 447 CB ASP A 30 4.960 8.746 5.145 1.00 0.00 C ATOM 448 CG ASP A 30 4.669 8.627 6.628 1.00 0.00 C ATOM 449 OD1 ASP A 30 4.133 7.579 7.046 1.00 0.00 O ATOM 450 OD2 ASP A 30 4.974 9.584 7.372 1.00 0.00 O ATOM 0 H ASP A 30 6.033 6.502 6.276 1.00 0.00 H new ATOM 0 HA ASP A 30 6.167 7.825 3.626 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.153 9.790 4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.079 8.442 4.579 1.00 0.00 H new ATOM 455 N VAL A 31 8.457 8.540 4.298 1.00 0.00 N ATOM 456 CA VAL A 31 9.754 9.124 4.623 1.00 0.00 C ATOM 457 C VAL A 31 10.255 10.024 3.490 1.00 0.00 C ATOM 458 O VAL A 31 11.218 9.703 2.792 1.00 0.00 O ATOM 459 CB VAL A 31 10.798 8.031 4.944 1.00 0.00 C ATOM 460 CG1 VAL A 31 10.972 7.075 3.772 1.00 0.00 C ATOM 461 CG2 VAL A 31 12.122 8.660 5.342 1.00 0.00 C ATOM 0 H VAL A 31 8.396 8.138 3.363 1.00 0.00 H new ATOM 0 HA VAL A 31 9.620 9.737 5.514 1.00 0.00 H new ATOM 0 HB VAL A 31 10.431 7.448 5.789 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.713 6.317 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.020 6.592 3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.308 7.630 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 31 12.845 7.875 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 31 12.494 9.274 4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.978 9.282 6.225 1.00 0.00 H new ATOM 471 N ARG A 32 9.591 11.164 3.320 1.00 0.00 N ATOM 472 CA ARG A 32 9.966 12.122 2.286 1.00 0.00 C ATOM 473 C ARG A 32 11.404 12.589 2.477 1.00 0.00 C ATOM 474 O ARG A 32 12.337 12.003 1.929 1.00 0.00 O ATOM 475 CB ARG A 32 9.017 13.322 2.307 1.00 0.00 C ATOM 476 CG ARG A 32 8.461 13.683 0.939 1.00 0.00 C ATOM 477 CD ARG A 32 8.258 15.183 0.799 1.00 0.00 C ATOM 478 NE ARG A 32 9.526 15.908 0.779 1.00 0.00 N ATOM 479 CZ ARG A 32 9.623 17.228 0.907 1.00 0.00 C ATOM 480 NH1 ARG A 32 8.532 17.966 1.064 1.00 0.00 N ATOM 481 NH2 ARG A 32 10.814 17.811 0.877 1.00 0.00 N ATOM 0 H ARG A 32 8.790 11.446 3.885 1.00 0.00 H new ATOM 0 HA ARG A 32 9.890 11.627 1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.188 13.107 2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.544 14.184 2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.143 13.333 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.512 13.170 0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.708 15.390 -0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.647 15.545 1.626 1.00 0.00 H new ATOM 0 HE ARG A 32 10.385 15.372 0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.614 17.521 1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.611 18.978 1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.655 17.247 0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.889 18.824 0.975 1.00 0.00 H new ATOM 631 N THR A 43 12.845 -0.666 5.123 1.00 0.00 N ATOM 632 CA THR A 43 11.965 -1.362 4.192 1.00 0.00 C ATOM 633 C THR A 43 12.508 -2.748 3.858 1.00 0.00 C ATOM 634 O THR A 43 11.743 -3.692 3.663 1.00 0.00 O ATOM 635 CB THR A 43 11.795 -0.545 2.910 1.00 0.00 C ATOM 636 OG1 THR A 43 11.124 -1.304 1.918 1.00 0.00 O ATOM 637 CG2 THR A 43 13.106 -0.074 2.320 1.00 0.00 C ATOM 0 HA THR A 43 10.993 -1.480 4.671 1.00 0.00 H new ATOM 0 HB THR A 43 11.213 0.330 3.200 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.023 -0.765 1.106 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.912 0.499 1.413 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.625 0.556 3.043 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.727 -0.937 2.078 1.00 0.00 H new ATOM 645 N LYS A 44 13.833 -2.863 3.796 1.00 0.00 N ATOM 646 CA LYS A 44 14.478 -4.135 3.486 1.00 0.00 C ATOM 647 C LYS A 44 14.039 -5.220 4.464 1.00 0.00 C ATOM 648 O LYS A 44 13.722 -6.340 4.061 1.00 0.00 O ATOM 649 CB LYS A 44 16.002 -3.981 3.525 1.00 0.00 C ATOM 650 CG LYS A 44 16.755 -5.302 3.466 1.00 0.00 C ATOM 651 CD LYS A 44 16.628 -5.959 2.101 1.00 0.00 C ATOM 652 CE LYS A 44 17.983 -6.131 1.435 1.00 0.00 C ATOM 653 NZ LYS A 44 18.985 -6.731 2.359 1.00 0.00 N ATOM 0 H LYS A 44 14.480 -2.091 3.956 1.00 0.00 H new ATOM 0 HA LYS A 44 14.176 -4.433 2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.316 -3.357 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.281 -3.455 4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.808 -5.132 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.370 -5.975 4.232 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.148 -6.932 2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.983 -5.354 1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.877 -6.764 0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.343 -5.162 1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.634 -7.339 1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.526 -5.974 2.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.496 -7.299 3.080 1.00 0.00 H new ATOM 667 N ARG A 45 14.022 -4.882 5.749 1.00 0.00 N ATOM 668 CA ARG A 45 13.615 -5.828 6.780 1.00 0.00 C ATOM 669 C ARG A 45 12.149 -6.212 6.611 1.00 0.00 C ATOM 670 O ARG A 45 11.755 -7.342 6.899 1.00 0.00 O ATOM 671 CB ARG A 45 13.847 -5.234 8.167 1.00 0.00 C ATOM 672 CG ARG A 45 13.859 -6.269 9.281 1.00 0.00 C ATOM 673 CD ARG A 45 12.474 -6.470 9.874 1.00 0.00 C ATOM 674 NE ARG A 45 12.153 -5.456 10.875 1.00 0.00 N ATOM 675 CZ ARG A 45 11.272 -4.479 10.678 1.00 0.00 C ATOM 676 NH1 ARG A 45 10.629 -4.383 9.522 1.00 0.00 N ATOM 677 NH2 ARG A 45 11.034 -3.596 11.639 1.00 0.00 N ATOM 0 H ARG A 45 14.285 -3.961 6.100 1.00 0.00 H new ATOM 0 HA ARG A 45 14.222 -6.728 6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.797 -4.700 8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.068 -4.500 8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 45 14.230 -7.218 8.893 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.548 -5.953 10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.731 -6.440 9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.415 -7.459 10.328 1.00 0.00 H new ATOM 0 HE ARG A 45 12.631 -5.499 11.775 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.809 -5.060 8.780 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.954 -3.633 9.375 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.527 -3.666 12.529 1.00 0.00 H new ATOM 0 HH22 ARG A 45 10.358 -2.847 11.487 1.00 0.00 H new ATOM 691 N ALA A 46 11.348 -5.263 6.133 1.00 0.00 N ATOM 692 CA ALA A 46 9.924 -5.496 5.920 1.00 0.00 C ATOM 693 C ALA A 46 9.693 -6.552 4.844 1.00 0.00 C ATOM 694 O ALA A 46 8.769 -7.360 4.942 1.00 0.00 O ATOM 695 CB ALA A 46 9.228 -4.197 5.547 1.00 0.00 C ATOM 0 H ALA A 46 11.662 -4.325 5.886 1.00 0.00 H new ATOM 0 HA ALA A 46 9.499 -5.869 6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.166 -4.385 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.354 -3.473 6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.665 -3.800 4.630 1.00 0.00 H new ATOM 701 N LEU A 47 10.538 -6.540 3.817 1.00 0.00 N ATOM 702 CA LEU A 47 10.430 -7.503 2.726 1.00 0.00 C ATOM 703 C LEU A 47 10.710 -8.916 3.225 1.00 0.00 C ATOM 704 O LEU A 47 10.009 -9.863 2.869 1.00 0.00 O ATOM 705 CB LEU A 47 11.406 -7.147 1.601 1.00 0.00 C ATOM 706 CG LEU A 47 11.615 -5.653 1.365 1.00 0.00 C ATOM 707 CD1 LEU A 47 12.558 -5.426 0.193 1.00 0.00 C ATOM 708 CD2 LEU A 47 10.286 -4.950 1.126 1.00 0.00 C ATOM 0 H LEU A 47 11.305 -5.874 3.718 1.00 0.00 H new ATOM 0 HA LEU A 47 9.412 -7.464 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.372 -7.601 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.047 -7.597 0.675 1.00 0.00 H new ATOM 0 HG LEU A 47 12.067 -5.227 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.696 -4.356 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.522 -5.889 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.133 -5.871 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.461 -3.887 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.800 -5.378 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.644 -5.080 1.997 1.00 0.00 H new ATOM 720 N GLN A 48 11.742 -9.049 4.051 1.00 0.00 N ATOM 721 CA GLN A 48 12.114 -10.340 4.611 1.00 0.00 C ATOM 722 C GLN A 48 11.093 -10.783 5.657 1.00 0.00 C ATOM 723 O GLN A 48 10.903 -11.977 5.890 1.00 0.00 O ATOM 724 CB GLN A 48 13.521 -10.257 5.222 1.00 0.00 C ATOM 725 CG GLN A 48 13.679 -11.001 6.539 1.00 0.00 C ATOM 726 CD GLN A 48 15.130 -11.152 6.952 1.00 0.00 C ATOM 727 OE1 GLN A 48 15.600 -10.478 7.869 1.00 0.00 O ATOM 728 NE2 GLN A 48 15.849 -12.039 6.274 1.00 0.00 N ATOM 0 H GLN A 48 12.337 -8.275 4.347 1.00 0.00 H new ATOM 0 HA GLN A 48 12.123 -11.083 3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.239 -10.655 4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.775 -9.209 5.378 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.136 -10.469 7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.225 -11.988 6.451 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.419 -12.576 5.521 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.832 -12.183 6.506 1.00 0.00 H new ATOM 737 N ASN A 49 10.428 -9.808 6.271 1.00 0.00 N ATOM 738 CA ASN A 49 9.426 -10.089 7.292 1.00 0.00 C ATOM 739 C ASN A 49 8.046 -9.603 6.853 1.00 0.00 C ATOM 740 O ASN A 49 7.410 -8.803 7.540 1.00 0.00 O ATOM 741 CB ASN A 49 9.820 -9.420 8.611 1.00 0.00 C ATOM 742 CG ASN A 49 9.621 -10.331 9.806 1.00 0.00 C ATOM 743 OD1 ASN A 49 8.670 -11.112 9.855 1.00 0.00 O ATOM 744 ND2 ASN A 49 10.518 -10.234 10.780 1.00 0.00 N ATOM 0 H ASN A 49 10.566 -8.816 6.078 1.00 0.00 H new ATOM 0 HA ASN A 49 9.379 -11.169 7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.865 -9.114 8.562 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.229 -8.514 8.746 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.435 -10.820 11.610 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.291 -9.573 10.698 1.00 0.00 H new ATOM 751 N MET A 50 7.588 -10.094 5.704 1.00 0.00 N ATOM 752 CA MET A 50 6.282 -9.714 5.175 1.00 0.00 C ATOM 753 C MET A 50 5.220 -10.740 5.559 1.00 0.00 C ATOM 754 O MET A 50 5.517 -11.924 5.716 1.00 0.00 O ATOM 755 CB MET A 50 6.344 -9.576 3.653 1.00 0.00 C ATOM 756 CG MET A 50 6.914 -10.798 2.953 1.00 0.00 C ATOM 757 SD MET A 50 7.513 -10.431 1.293 1.00 0.00 S ATOM 758 CE MET A 50 5.993 -9.938 0.485 1.00 0.00 C ATOM 0 H MET A 50 8.102 -10.755 5.122 1.00 0.00 H new ATOM 0 HA MET A 50 6.009 -8.752 5.610 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.340 -9.385 3.273 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.951 -8.707 3.400 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.731 -11.205 3.548 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.147 -11.570 2.896 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.851 -10.534 -0.417 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.153 -10.097 1.161 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.049 -8.883 0.218 1.00 0.00 H new ATOM 768 N LYS A 51 3.981 -10.279 5.706 1.00 0.00 N ATOM 769 CA LYS A 51 2.878 -11.162 6.065 1.00 0.00 C ATOM 770 C LYS A 51 1.999 -11.455 4.852 1.00 0.00 C ATOM 771 O LYS A 51 1.983 -10.688 3.890 1.00 0.00 O ATOM 772 CB LYS A 51 2.042 -10.546 7.191 1.00 0.00 C ATOM 773 CG LYS A 51 2.748 -10.533 8.537 1.00 0.00 C ATOM 774 CD LYS A 51 1.831 -11.009 9.651 1.00 0.00 C ATOM 775 CE LYS A 51 2.603 -11.745 10.734 1.00 0.00 C ATOM 776 NZ LYS A 51 1.822 -12.879 11.301 1.00 0.00 N ATOM 0 H LYS A 51 3.717 -9.302 5.582 1.00 0.00 H new ATOM 0 HA LYS A 51 3.299 -12.103 6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.778 -9.524 6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.109 -11.102 7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.630 -11.172 8.493 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.096 -9.524 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.315 -10.154 10.088 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.066 -11.666 9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.539 -12.120 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.863 -11.049 11.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.384 -13.354 12.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.940 -12.519 11.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.596 -13.557 10.545 1.00 0.00 H new ATOM 790 N PRO A 52 1.267 -12.585 4.875 1.00 0.00 N ATOM 791 CA PRO A 52 0.407 -13.003 3.762 1.00 0.00 C ATOM 792 C PRO A 52 -0.562 -11.914 3.306 1.00 0.00 C ATOM 793 O PRO A 52 -0.621 -11.591 2.123 1.00 0.00 O ATOM 794 CB PRO A 52 -0.368 -14.207 4.322 1.00 0.00 C ATOM 795 CG PRO A 52 -0.099 -14.215 5.791 1.00 0.00 C ATOM 796 CD PRO A 52 1.238 -13.562 5.971 1.00 0.00 C ATOM 0 HA PRO A 52 1.000 -13.234 2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.435 -14.114 4.120 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.036 -15.136 3.858 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.874 -13.672 6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.091 -15.233 6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.326 -13.081 6.945 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.054 -14.281 5.895 1.00 0.00 H new ATOM 804 N GLY A 53 -1.361 -11.398 4.235 1.00 0.00 N ATOM 805 CA GLY A 53 -2.333 -10.372 3.896 1.00 0.00 C ATOM 806 C GLY A 53 -1.909 -8.989 4.345 1.00 0.00 C ATOM 807 O GLY A 53 -2.600 -8.349 5.138 1.00 0.00 O ATOM 0 H GLY A 53 -1.353 -11.672 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.488 -10.367 2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.291 -10.620 4.354 1.00 0.00 H new ATOM 811 N GLU A 54 -0.767 -8.530 3.850 1.00 0.00 N ATOM 812 CA GLU A 54 -0.251 -7.214 4.222 1.00 0.00 C ATOM 813 C GLU A 54 -0.739 -6.125 3.271 1.00 0.00 C ATOM 814 O GLU A 54 -0.910 -6.357 2.076 1.00 0.00 O ATOM 815 CB GLU A 54 1.277 -7.219 4.248 1.00 0.00 C ATOM 816 CG GLU A 54 1.861 -7.545 5.611 1.00 0.00 C ATOM 817 CD GLU A 54 1.668 -6.425 6.614 1.00 0.00 C ATOM 818 OE1 GLU A 54 0.543 -6.283 7.136 1.00 0.00 O ATOM 819 OE2 GLU A 54 2.643 -5.690 6.878 1.00 0.00 O ATOM 0 H GLU A 54 -0.181 -9.045 3.193 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.630 -6.994 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.642 -7.946 3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.641 -6.242 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.395 -8.453 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.926 -7.753 5.505 1.00 0.00 H new ATOM 826 N ILE A 55 -0.947 -4.931 3.820 1.00 0.00 N ATOM 827 CA ILE A 55 -1.369 -3.776 3.036 1.00 0.00 C ATOM 828 C ILE A 55 -0.559 -2.548 3.443 1.00 0.00 C ATOM 829 O ILE A 55 -0.799 -1.961 4.497 1.00 0.00 O ATOM 830 CB ILE A 55 -2.870 -3.475 3.222 1.00 0.00 C ATOM 831 CG1 ILE A 55 -3.692 -4.760 3.102 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.335 -2.447 2.202 1.00 0.00 C ATOM 833 CD1 ILE A 55 -4.917 -4.780 3.990 1.00 0.00 C ATOM 0 H ILE A 55 -0.828 -4.738 4.815 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.195 -4.012 1.986 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.020 -3.063 4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.003 -4.887 2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.059 -5.611 3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.396 -2.245 2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.769 -1.524 2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.173 -2.834 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.451 -5.720 3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.612 -4.685 5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.571 -3.949 3.726 1.00 0.00 H new ATOM 845 N LEU A 56 0.422 -2.183 2.625 1.00 0.00 N ATOM 846 CA LEU A 56 1.290 -1.056 2.943 1.00 0.00 C ATOM 847 C LEU A 56 1.217 0.037 1.886 1.00 0.00 C ATOM 848 O LEU A 56 1.122 -0.241 0.692 1.00 0.00 O ATOM 849 CB LEU A 56 2.739 -1.528 3.082 1.00 0.00 C ATOM 850 CG LEU A 56 2.909 -3.015 3.387 1.00 0.00 C ATOM 851 CD1 LEU A 56 4.353 -3.443 3.175 1.00 0.00 C ATOM 852 CD2 LEU A 56 2.461 -3.315 4.805 1.00 0.00 C ATOM 0 H LEU A 56 0.635 -2.648 1.742 1.00 0.00 H new ATOM 0 HA LEU A 56 0.941 -0.638 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.270 -1.299 2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.218 -0.953 3.875 1.00 0.00 H new ATOM 0 HG LEU A 56 2.283 -3.585 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.454 -4.505 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.638 -3.260 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.003 -2.870 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.587 -4.378 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.062 -2.737 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.411 -3.046 4.919 1.00 0.00 H new ATOM 864 N GLU A 57 1.301 1.282 2.340 1.00 0.00 N ATOM 865 CA GLU A 57 1.313 2.429 1.442 1.00 0.00 C ATOM 866 C GLU A 57 2.626 3.191 1.608 1.00 0.00 C ATOM 867 O GLU A 57 3.064 3.452 2.729 1.00 0.00 O ATOM 868 CB GLU A 57 0.104 3.338 1.706 1.00 0.00 C ATOM 869 CG GLU A 57 0.404 4.552 2.573 1.00 0.00 C ATOM 870 CD GLU A 57 -0.844 5.325 2.951 1.00 0.00 C ATOM 871 OE1 GLU A 57 -1.947 4.740 2.893 1.00 0.00 O ATOM 872 OE2 GLU A 57 -0.720 6.516 3.306 1.00 0.00 O ATOM 0 H GLU A 57 1.362 1.523 3.329 1.00 0.00 H new ATOM 0 HA GLU A 57 1.239 2.080 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.293 3.679 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.679 2.750 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.914 4.228 3.480 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.088 5.213 2.041 1.00 0.00 H new ATOM 879 N VAL A 58 3.280 3.495 0.494 1.00 0.00 N ATOM 880 CA VAL A 58 4.573 4.165 0.537 1.00 0.00 C ATOM 881 C VAL A 58 4.511 5.560 -0.073 1.00 0.00 C ATOM 882 O VAL A 58 4.053 5.739 -1.201 1.00 0.00 O ATOM 883 CB VAL A 58 5.651 3.348 -0.200 1.00 0.00 C ATOM 884 CG1 VAL A 58 7.041 3.769 0.251 1.00 0.00 C ATOM 885 CG2 VAL A 58 5.438 1.858 0.023 1.00 0.00 C ATOM 0 H VAL A 58 2.939 3.290 -0.445 1.00 0.00 H new ATOM 0 HA VAL A 58 4.838 4.252 1.591 1.00 0.00 H new ATOM 0 HB VAL A 58 5.565 3.547 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.790 3.181 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.189 4.827 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.142 3.601 1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.209 1.297 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.495 1.638 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.457 1.570 -0.355 1.00 0.00 H new ATOM 895 N TRP A 59 5.018 6.536 0.671 1.00 0.00 N ATOM 896 CA TRP A 59 5.060 7.917 0.204 1.00 0.00 C ATOM 897 C TRP A 59 6.494 8.435 0.209 1.00 0.00 C ATOM 898 O TRP A 59 7.072 8.679 1.271 1.00 0.00 O ATOM 899 CB TRP A 59 4.178 8.808 1.084 1.00 0.00 C ATOM 900 CG TRP A 59 3.557 9.957 0.344 1.00 0.00 C ATOM 901 CD1 TRP A 59 3.940 10.461 -0.867 1.00 0.00 C ATOM 902 CD2 TRP A 59 2.443 10.750 0.773 1.00 0.00 C ATOM 903 NE1 TRP A 59 3.131 11.514 -1.218 1.00 0.00 N ATOM 904 CE2 TRP A 59 2.206 11.712 -0.228 1.00 0.00 C ATOM 905 CE3 TRP A 59 1.623 10.741 1.905 1.00 0.00 C ATOM 906 CZ2 TRP A 59 1.184 12.652 -0.130 1.00 0.00 C ATOM 907 CZ3 TRP A 59 0.609 11.675 2.001 1.00 0.00 C ATOM 908 CH2 TRP A 59 0.397 12.619 0.988 1.00 0.00 C ATOM 0 H TRP A 59 5.407 6.396 1.603 1.00 0.00 H new ATOM 0 HA TRP A 59 4.678 7.946 -0.817 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.387 8.201 1.525 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.777 9.198 1.907 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.760 10.086 -1.462 1.00 0.00 H new ATOM 0 HE1 TRP A 59 3.207 12.060 -2.076 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.779 10.017 2.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.018 13.381 -0.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.030 11.677 2.871 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.404 13.335 1.092 1.00 0.00 H new ATOM 919 N ILE A 60 7.078 8.565 -0.982 1.00 0.00 N ATOM 920 CA ILE A 60 8.457 9.028 -1.111 1.00 0.00 C ATOM 921 C ILE A 60 8.727 9.595 -2.501 1.00 0.00 C ATOM 922 O ILE A 60 7.800 9.902 -3.250 1.00 0.00 O ATOM 923 CB ILE A 60 9.463 7.892 -0.834 1.00 0.00 C ATOM 924 CG1 ILE A 60 8.814 6.526 -1.078 1.00 0.00 C ATOM 925 CG2 ILE A 60 9.991 7.987 0.588 1.00 0.00 C ATOM 926 CD1 ILE A 60 8.664 6.179 -2.543 1.00 0.00 C ATOM 0 H ILE A 60 6.618 8.357 -1.868 1.00 0.00 H new ATOM 0 HA ILE A 60 8.590 9.815 -0.368 1.00 0.00 H new ATOM 0 HB ILE A 60 10.302 7.999 -1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.413 5.757 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.831 6.511 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.700 7.178 0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.491 8.945 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.161 7.905 1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.197 5.199 -2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.040 6.927 -3.032 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.646 6.161 -3.015 1.00 0.00 H new ATOM 938 N ASP A 61 10.009 9.724 -2.839 1.00 0.00 N ATOM 939 CA ASP A 61 10.414 10.238 -4.141 1.00 0.00 C ATOM 940 C ASP A 61 11.014 9.127 -4.995 1.00 0.00 C ATOM 941 O ASP A 61 10.846 9.108 -6.215 1.00 0.00 O ATOM 942 CB ASP A 61 11.430 11.370 -3.971 1.00 0.00 C ATOM 943 CG ASP A 61 10.772 12.690 -3.621 1.00 0.00 C ATOM 944 OD1 ASP A 61 10.192 12.791 -2.519 1.00 0.00 O ATOM 945 OD2 ASP A 61 10.839 13.625 -4.447 1.00 0.00 O ATOM 0 H ASP A 61 10.785 9.478 -2.225 1.00 0.00 H new ATOM 0 HA ASP A 61 9.529 10.626 -4.645 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.140 11.103 -3.189 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.000 11.485 -4.893 1.00 0.00 H new ATOM 950 N TYR A 62 11.712 8.200 -4.344 1.00 0.00 N ATOM 951 CA TYR A 62 12.331 7.077 -5.039 1.00 0.00 C ATOM 952 C TYR A 62 11.500 5.807 -4.857 1.00 0.00 C ATOM 953 O TYR A 62 11.370 5.300 -3.743 1.00 0.00 O ATOM 954 CB TYR A 62 13.751 6.848 -4.516 1.00 0.00 C ATOM 955 CG TYR A 62 14.804 6.837 -5.601 1.00 0.00 C ATOM 956 CD1 TYR A 62 15.339 8.022 -6.089 1.00 0.00 C ATOM 957 CD2 TYR A 62 15.265 5.640 -6.135 1.00 0.00 C ATOM 958 CE1 TYR A 62 16.303 8.016 -7.080 1.00 0.00 C ATOM 959 CE2 TYR A 62 16.229 5.625 -7.126 1.00 0.00 C ATOM 960 CZ TYR A 62 16.744 6.816 -7.595 1.00 0.00 C ATOM 961 OH TYR A 62 17.702 6.805 -8.582 1.00 0.00 O ATOM 0 H TYR A 62 11.863 8.205 -3.335 1.00 0.00 H new ATOM 0 HA TYR A 62 12.377 7.316 -6.102 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.993 7.629 -3.795 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.783 5.899 -3.981 1.00 0.00 H new ATOM 0 HD1 TYR A 62 14.996 8.964 -5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 62 14.864 4.706 -5.770 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.708 8.947 -7.449 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.577 4.686 -7.531 1.00 0.00 H new ATOM 0 HH TYR A 62 17.902 5.879 -8.833 1.00 0.00 H new ATOM 971 N PRO A 63 10.920 5.278 -5.951 1.00 0.00 N ATOM 972 CA PRO A 63 10.091 4.067 -5.898 1.00 0.00 C ATOM 973 C PRO A 63 10.821 2.889 -5.258 1.00 0.00 C ATOM 974 O PRO A 63 11.595 2.193 -5.916 1.00 0.00 O ATOM 975 CB PRO A 63 9.787 3.773 -7.370 1.00 0.00 C ATOM 976 CG PRO A 63 9.938 5.084 -8.061 1.00 0.00 C ATOM 977 CD PRO A 63 11.019 5.819 -7.320 1.00 0.00 C ATOM 0 HA PRO A 63 9.200 4.214 -5.288 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.475 3.031 -7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.780 3.375 -7.494 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.208 4.945 -9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.003 5.644 -8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.001 5.635 -7.755 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.858 6.897 -7.339 1.00 0.00 H new ATOM 985 N MET A 64 10.568 2.673 -3.970 1.00 0.00 N ATOM 986 CA MET A 64 11.194 1.578 -3.237 1.00 0.00 C ATOM 987 C MET A 64 10.681 0.228 -3.730 1.00 0.00 C ATOM 988 O MET A 64 11.229 -0.821 -3.386 1.00 0.00 O ATOM 989 CB MET A 64 10.923 1.722 -1.738 1.00 0.00 C ATOM 990 CG MET A 64 11.624 2.911 -1.107 1.00 0.00 C ATOM 991 SD MET A 64 11.791 2.751 0.682 1.00 0.00 S ATOM 992 CE MET A 64 12.670 4.261 1.077 1.00 0.00 C ATOM 0 H MET A 64 9.933 3.243 -3.412 1.00 0.00 H new ATOM 0 HA MET A 64 12.269 1.624 -3.413 1.00 0.00 H new ATOM 0 HB2 MET A 64 9.849 1.817 -1.579 1.00 0.00 H new ATOM 0 HB3 MET A 64 11.241 0.811 -1.230 1.00 0.00 H new ATOM 0 HG2 MET A 64 12.613 3.023 -1.552 1.00 0.00 H new ATOM 0 HG3 MET A 64 11.067 3.820 -1.336 1.00 0.00 H new ATOM 0 HE1 MET A 64 12.848 4.308 2.151 1.00 0.00 H new ATOM 0 HE2 MET A 64 13.624 4.275 0.550 1.00 0.00 H new ATOM 0 HE3 MET A 64 12.073 5.120 0.770 1.00 0.00 H new ATOM 1002 N SER A 65 9.626 0.263 -4.537 1.00 0.00 N ATOM 1003 CA SER A 65 9.035 -0.955 -5.077 1.00 0.00 C ATOM 1004 C SER A 65 10.038 -1.712 -5.943 1.00 0.00 C ATOM 1005 O SER A 65 9.839 -2.885 -6.255 1.00 0.00 O ATOM 1006 CB SER A 65 7.784 -0.619 -5.893 1.00 0.00 C ATOM 1007 OG SER A 65 8.029 -0.739 -7.283 1.00 0.00 O ATOM 0 H SER A 65 9.163 1.123 -4.831 1.00 0.00 H new ATOM 0 HA SER A 65 8.754 -1.595 -4.241 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.970 -1.285 -5.606 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.460 0.396 -5.665 1.00 0.00 H new ATOM 0 HG SER A 65 7.213 -0.520 -7.779 1.00 0.00 H new ATOM 1013 N LYS A 66 11.120 -1.036 -6.322 1.00 0.00 N ATOM 1014 CA LYS A 66 12.154 -1.647 -7.150 1.00 0.00 C ATOM 1015 C LYS A 66 12.767 -2.859 -6.455 1.00 0.00 C ATOM 1016 O LYS A 66 13.168 -3.821 -7.108 1.00 0.00 O ATOM 1017 CB LYS A 66 13.244 -0.624 -7.478 1.00 0.00 C ATOM 1018 CG LYS A 66 13.843 0.041 -6.250 1.00 0.00 C ATOM 1019 CD LYS A 66 15.335 -0.227 -6.145 1.00 0.00 C ATOM 1020 CE LYS A 66 16.148 0.948 -6.662 1.00 0.00 C ATOM 1021 NZ LYS A 66 17.516 0.536 -7.083 1.00 0.00 N ATOM 0 H LYS A 66 11.303 -0.065 -6.068 1.00 0.00 H new ATOM 0 HA LYS A 66 11.690 -1.983 -8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.038 -1.118 -8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.826 0.144 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.667 1.116 -6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.342 -0.327 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.598 -0.424 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.586 -1.123 -6.713 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.631 1.404 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 66 16.221 1.709 -5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.038 1.367 -7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.020 0.124 -6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.447 -0.171 -7.843 1.00 0.00 H new ATOM 1035 N GLU A 67 12.840 -2.802 -5.128 1.00 0.00 N ATOM 1036 CA GLU A 67 13.383 -3.906 -4.343 1.00 0.00 C ATOM 1037 C GLU A 67 12.261 -4.825 -3.873 1.00 0.00 C ATOM 1038 O GLU A 67 12.459 -6.029 -3.679 1.00 0.00 O ATOM 1039 CB GLU A 67 14.163 -3.370 -3.140 1.00 0.00 C ATOM 1040 CG GLU A 67 15.628 -3.100 -3.437 1.00 0.00 C ATOM 1041 CD GLU A 67 16.561 -3.829 -2.490 1.00 0.00 C ATOM 1042 OE1 GLU A 67 16.902 -3.255 -1.434 1.00 0.00 O ATOM 1043 OE2 GLU A 67 16.952 -4.972 -2.805 1.00 0.00 O ATOM 0 H GLU A 67 12.530 -2.003 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 67 14.063 -4.478 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.695 -2.448 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.093 -4.088 -2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.848 -3.401 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.816 -2.028 -3.372 1.00 0.00 H new ATOM 1050 N ARG A 68 11.075 -4.250 -3.714 1.00 0.00 N ATOM 1051 CA ARG A 68 9.911 -5.009 -3.282 1.00 0.00 C ATOM 1052 C ARG A 68 9.553 -6.084 -4.303 1.00 0.00 C ATOM 1053 O ARG A 68 9.165 -7.191 -3.936 1.00 0.00 O ATOM 1054 CB ARG A 68 8.718 -4.074 -3.070 1.00 0.00 C ATOM 1055 CG ARG A 68 8.672 -3.452 -1.684 1.00 0.00 C ATOM 1056 CD ARG A 68 7.245 -3.320 -1.179 1.00 0.00 C ATOM 1057 NE ARG A 68 7.192 -2.811 0.189 1.00 0.00 N ATOM 1058 CZ ARG A 68 7.330 -1.527 0.504 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.530 -0.624 -0.446 1.00 0.00 N ATOM 1060 NH2 ARG A 68 7.269 -1.145 1.773 1.00 0.00 N ATOM 0 H ARG A 68 10.895 -3.259 -3.878 1.00 0.00 H new ATOM 0 HA ARG A 68 10.155 -5.497 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.753 -3.279 -3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.796 -4.630 -3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.249 -4.064 -0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.142 -2.469 -1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.689 -2.652 -1.836 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.754 -4.292 -1.223 1.00 0.00 H new ATOM 0 HE ARG A 68 7.041 -3.478 0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.578 -0.914 -1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.635 0.360 -0.200 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.116 -1.837 2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.375 -0.160 2.015 1.00 0.00 H new ATOM 1074 N ILE A 69 9.696 -5.753 -5.586 1.00 0.00 N ATOM 1075 CA ILE A 69 9.371 -6.691 -6.658 1.00 0.00 C ATOM 1076 C ILE A 69 10.206 -7.974 -6.561 1.00 0.00 C ATOM 1077 O ILE A 69 9.647 -9.067 -6.506 1.00 0.00 O ATOM 1078 CB ILE A 69 9.556 -6.056 -8.052 1.00 0.00 C ATOM 1079 CG1 ILE A 69 8.602 -4.872 -8.227 1.00 0.00 C ATOM 1080 CG2 ILE A 69 9.328 -7.089 -9.146 1.00 0.00 C ATOM 1081 CD1 ILE A 69 9.152 -3.779 -9.117 1.00 0.00 C ATOM 0 H ILE A 69 10.034 -4.846 -5.907 1.00 0.00 H new ATOM 0 HA ILE A 69 8.319 -6.948 -6.532 1.00 0.00 H new ATOM 0 HB ILE A 69 10.580 -5.693 -8.133 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.662 -5.232 -8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.374 -4.452 -7.248 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.463 -6.622 -10.121 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.043 -7.904 -9.032 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.314 -7.482 -9.069 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.423 -2.973 -9.196 1.00 0.00 H new ATOM 0 HD12 ILE A 69 10.076 -3.392 -8.689 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.353 -4.184 -10.109 1.00 0.00 H new ATOM 1093 N PRO A 70 11.554 -7.871 -6.542 1.00 0.00 N ATOM 1094 CA PRO A 70 12.430 -9.047 -6.462 1.00 0.00 C ATOM 1095 C PRO A 70 12.040 -9.999 -5.334 1.00 0.00 C ATOM 1096 O PRO A 70 12.100 -11.218 -5.492 1.00 0.00 O ATOM 1097 CB PRO A 70 13.810 -8.446 -6.198 1.00 0.00 C ATOM 1098 CG PRO A 70 13.748 -7.088 -6.802 1.00 0.00 C ATOM 1099 CD PRO A 70 12.331 -6.617 -6.615 1.00 0.00 C ATOM 0 HA PRO A 70 12.376 -9.650 -7.368 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.023 -8.396 -5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.598 -9.047 -6.652 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.452 -6.412 -6.316 1.00 0.00 H new ATOM 0 HG3 PRO A 70 14.013 -7.118 -7.859 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.222 -6.025 -5.706 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.004 -5.991 -7.445 1.00 0.00 H new ATOM 1107 N GLU A 71 11.641 -9.439 -4.196 1.00 0.00 N ATOM 1108 CA GLU A 71 11.259 -10.254 -3.045 1.00 0.00 C ATOM 1109 C GLU A 71 9.960 -11.018 -3.305 1.00 0.00 C ATOM 1110 O GLU A 71 9.912 -12.247 -3.191 1.00 0.00 O ATOM 1111 CB GLU A 71 11.107 -9.377 -1.802 1.00 0.00 C ATOM 1112 CG GLU A 71 12.220 -9.570 -0.785 1.00 0.00 C ATOM 1113 CD GLU A 71 13.375 -8.610 -0.995 1.00 0.00 C ATOM 1114 OE1 GLU A 71 13.666 -8.276 -2.163 1.00 0.00 O ATOM 1115 OE2 GLU A 71 13.990 -8.194 0.009 1.00 0.00 O ATOM 0 H GLU A 71 11.574 -8.432 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 71 12.052 -10.983 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.081 -8.331 -2.106 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.150 -9.595 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.817 -9.434 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.588 -10.594 -0.845 1.00 0.00 H new ATOM 1122 N THR A 72 8.902 -10.288 -3.642 1.00 0.00 N ATOM 1123 CA THR A 72 7.608 -10.899 -3.892 1.00 0.00 C ATOM 1124 C THR A 72 7.687 -11.918 -5.022 1.00 0.00 C ATOM 1125 O THR A 72 7.167 -13.025 -4.902 1.00 0.00 O ATOM 1126 CB THR A 72 6.575 -9.826 -4.226 1.00 0.00 C ATOM 1127 OG1 THR A 72 7.206 -8.612 -4.588 1.00 0.00 O ATOM 1128 CG2 THR A 72 5.629 -9.532 -3.084 1.00 0.00 C ATOM 0 H THR A 72 8.918 -9.274 -3.747 1.00 0.00 H new ATOM 0 HA THR A 72 7.302 -11.422 -2.986 1.00 0.00 H new ATOM 0 HB THR A 72 5.999 -10.231 -5.058 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.714 -8.267 -3.824 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.921 -8.761 -3.387 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.086 -10.439 -2.819 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.197 -9.184 -2.221 1.00 0.00 H new ATOM 1136 N VAL A 73 8.350 -11.549 -6.113 1.00 0.00 N ATOM 1137 CA VAL A 73 8.476 -12.441 -7.258 1.00 0.00 C ATOM 1138 C VAL A 73 9.155 -13.745 -6.860 1.00 0.00 C ATOM 1139 O VAL A 73 8.879 -14.796 -7.439 1.00 0.00 O ATOM 1140 CB VAL A 73 9.245 -11.785 -8.423 1.00 0.00 C ATOM 1141 CG1 VAL A 73 10.718 -11.625 -8.081 1.00 0.00 C ATOM 1142 CG2 VAL A 73 9.074 -12.593 -9.699 1.00 0.00 C ATOM 0 H VAL A 73 8.806 -10.644 -6.228 1.00 0.00 H new ATOM 0 HA VAL A 73 7.464 -12.655 -7.602 1.00 0.00 H new ATOM 0 HB VAL A 73 8.828 -10.791 -8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.238 -11.160 -8.919 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.820 -10.996 -7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.154 -12.604 -7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.624 -12.114 -10.509 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.459 -13.601 -9.546 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.017 -12.644 -9.959 1.00 0.00 H new ATOM 1152 N LYS A 74 10.013 -13.686 -5.841 1.00 0.00 N ATOM 1153 CA LYS A 74 10.653 -14.892 -5.333 1.00 0.00 C ATOM 1154 C LYS A 74 9.571 -15.862 -4.890 1.00 0.00 C ATOM 1155 O LYS A 74 9.607 -17.049 -5.213 1.00 0.00 O ATOM 1156 CB LYS A 74 11.582 -14.567 -4.162 1.00 0.00 C ATOM 1157 CG LYS A 74 12.940 -14.034 -4.588 1.00 0.00 C ATOM 1158 CD LYS A 74 13.909 -15.163 -4.900 1.00 0.00 C ATOM 1159 CE LYS A 74 15.278 -14.906 -4.293 1.00 0.00 C ATOM 1160 NZ LYS A 74 15.903 -16.156 -3.778 1.00 0.00 N ATOM 0 H LYS A 74 10.276 -12.827 -5.359 1.00 0.00 H new ATOM 0 HA LYS A 74 11.259 -15.339 -6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.098 -13.831 -3.520 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.726 -15.467 -3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.824 -13.400 -5.467 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.351 -13.409 -3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.510 -16.102 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.004 -15.274 -5.980 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.929 -14.458 -5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.185 -14.186 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.835 -15.936 -3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.295 -16.571 -3.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 16.016 -16.835 -4.558 1.00 0.00 H new ATOM 1174 N LYS A 75 8.567 -15.317 -4.210 1.00 0.00 N ATOM 1175 CA LYS A 75 7.414 -16.101 -3.787 1.00 0.00 C ATOM 1176 C LYS A 75 6.363 -16.121 -4.898 1.00 0.00 C ATOM 1177 O LYS A 75 6.289 -17.072 -5.676 1.00 0.00 O ATOM 1178 CB LYS A 75 6.813 -15.523 -2.504 1.00 0.00 C ATOM 1179 CG LYS A 75 7.632 -15.821 -1.259 1.00 0.00 C ATOM 1180 CD LYS A 75 8.295 -14.566 -0.713 1.00 0.00 C ATOM 1181 CE LYS A 75 7.282 -13.635 -0.066 1.00 0.00 C ATOM 1182 NZ LYS A 75 6.925 -14.074 1.312 1.00 0.00 N ATOM 0 H LYS A 75 8.530 -14.334 -3.940 1.00 0.00 H new ATOM 0 HA LYS A 75 7.740 -17.121 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.714 -14.443 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.808 -15.923 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.988 -16.255 -0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.395 -16.564 -1.493 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.054 -14.843 0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.807 -14.043 -1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.688 -12.624 -0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.382 -13.596 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.232 -13.413 1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.514 -15.029 1.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.780 -14.087 1.904 1.00 0.00 H new ATOM 1196 N LEU A 76 5.549 -15.068 -4.958 1.00 0.00 N ATOM 1197 CA LEU A 76 4.544 -14.934 -6.009 1.00 0.00 C ATOM 1198 C LEU A 76 5.058 -14.017 -7.120 1.00 0.00 C ATOM 1199 O LEU A 76 5.933 -14.400 -7.896 1.00 0.00 O ATOM 1200 CB LEU A 76 3.205 -14.404 -5.459 1.00 0.00 C ATOM 1201 CG LEU A 76 3.256 -13.597 -4.150 1.00 0.00 C ATOM 1202 CD1 LEU A 76 3.479 -14.516 -2.958 1.00 0.00 C ATOM 1203 CD2 LEU A 76 4.321 -12.511 -4.202 1.00 0.00 C ATOM 0 H LEU A 76 5.567 -14.296 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 76 4.362 -15.928 -6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.749 -13.777 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.541 -15.255 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 76 2.291 -13.105 -4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.512 -13.924 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.663 -15.236 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.423 -15.048 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.327 -11.962 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.298 -12.967 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.102 -11.825 -5.020 1.00 0.00 H new ATOM 1215 N GLY A 77 4.523 -12.798 -7.175 1.00 0.00 N ATOM 1216 CA GLY A 77 4.955 -11.837 -8.170 1.00 0.00 C ATOM 1217 C GLY A 77 5.181 -10.461 -7.574 1.00 0.00 C ATOM 1218 O GLY A 77 6.315 -10.085 -7.277 1.00 0.00 O ATOM 0 H GLY A 77 3.796 -12.461 -6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.877 -12.186 -8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.206 -11.771 -8.959 1.00 0.00 H new ATOM 1222 N HIS A 78 4.103 -9.694 -7.433 1.00 0.00 N ATOM 1223 CA HIS A 78 4.186 -8.355 -6.857 1.00 0.00 C ATOM 1224 C HIS A 78 2.920 -8.014 -6.077 1.00 0.00 C ATOM 1225 O HIS A 78 1.925 -8.736 -6.144 1.00 0.00 O ATOM 1226 CB HIS A 78 4.422 -7.312 -7.952 1.00 0.00 C ATOM 1227 CG HIS A 78 3.988 -7.758 -9.314 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.732 -8.272 -9.534 1.00 0.00 N ATOM 1229 CD2 HIS A 78 4.674 -7.750 -10.483 1.00 0.00 C ATOM 1230 CE1 HIS A 78 2.680 -8.561 -10.821 1.00 0.00 C ATOM 1231 NE2 HIS A 78 3.833 -8.262 -11.436 1.00 0.00 N ATOM 0 H HIS A 78 3.163 -9.977 -7.709 1.00 0.00 H new ATOM 0 HA HIS A 78 5.030 -8.341 -6.167 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.888 -6.398 -7.692 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.483 -7.064 -7.982 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.687 -7.407 -10.634 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.818 -8.984 -11.316 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.044 -8.391 -12.426 1.00 0.00 H new ATOM 1239 N GLU A 79 2.960 -6.900 -5.351 1.00 0.00 N ATOM 1240 CA GLU A 79 1.824 -6.445 -4.580 1.00 0.00 C ATOM 1241 C GLU A 79 1.243 -5.187 -5.213 1.00 0.00 C ATOM 1242 O GLU A 79 1.408 -4.085 -4.696 1.00 0.00 O ATOM 1243 CB GLU A 79 2.267 -6.162 -3.147 1.00 0.00 C ATOM 1244 CG GLU A 79 3.285 -7.154 -2.614 1.00 0.00 C ATOM 1245 CD GLU A 79 4.454 -6.477 -1.928 1.00 0.00 C ATOM 1246 OE1 GLU A 79 5.179 -5.715 -2.602 1.00 0.00 O ATOM 1247 OE2 GLU A 79 4.645 -6.707 -0.715 1.00 0.00 O ATOM 0 H GLU A 79 3.779 -6.296 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 79 1.055 -7.217 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.691 -5.159 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.392 -6.169 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.796 -7.828 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.656 -7.766 -3.436 1.00 0.00 H new ATOM 1254 N VAL A 80 0.576 -5.356 -6.347 1.00 0.00 N ATOM 1255 CA VAL A 80 0.031 -4.222 -7.080 1.00 0.00 C ATOM 1256 C VAL A 80 -1.449 -4.026 -6.784 1.00 0.00 C ATOM 1257 O VAL A 80 -2.274 -4.891 -7.081 1.00 0.00 O ATOM 1258 CB VAL A 80 0.219 -4.392 -8.601 1.00 0.00 C ATOM 1259 CG1 VAL A 80 0.435 -3.042 -9.265 1.00 0.00 C ATOM 1260 CG2 VAL A 80 1.380 -5.333 -8.899 1.00 0.00 C ATOM 0 H VAL A 80 0.400 -6.264 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 80 0.582 -3.343 -6.746 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.689 -4.834 -9.012 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.566 -3.181 -10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.431 -2.405 -9.085 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.325 -2.570 -8.849 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.495 -5.439 -9.978 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.297 -4.925 -8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.179 -6.309 -8.458 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.778 -2.876 -6.204 1.00 0.00 N ATOM 1271 CA LEU A 81 -3.158 -2.558 -5.872 1.00 0.00 C ATOM 1272 C LEU A 81 -3.514 -1.141 -6.306 1.00 0.00 C ATOM 1273 O LEU A 81 -4.608 -0.897 -6.815 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.406 -2.736 -4.369 1.00 0.00 C ATOM 1275 CG LEU A 81 -2.979 -1.559 -3.488 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -4.192 -0.752 -3.052 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -2.202 -2.053 -2.278 1.00 0.00 C ATOM 0 H LEU A 81 -1.106 -2.150 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.802 -3.250 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.469 -2.918 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.878 -3.629 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.327 -0.910 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.870 0.080 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.708 -0.367 -3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.869 -1.391 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.907 -1.203 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.830 -2.724 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.312 -2.587 -2.610 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.589 -0.209 -6.104 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.829 1.183 -6.478 1.00 0.00 C ATOM 1291 C GLU A 82 -1.527 1.928 -6.770 1.00 0.00 C ATOM 1292 O GLU A 82 -0.504 1.692 -6.129 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.614 1.894 -5.380 1.00 0.00 C ATOM 1294 CG GLU A 82 -3.582 3.412 -5.475 1.00 0.00 C ATOM 1295 CD GLU A 82 -4.969 4.023 -5.536 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -5.800 3.533 -6.329 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -5.222 4.994 -4.793 1.00 0.00 O ATOM 0 H GLU A 82 -1.675 -0.387 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.416 1.182 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.651 1.561 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.216 1.593 -4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.049 3.815 -4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.021 3.705 -6.362 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.588 2.841 -7.738 1.00 0.00 N ATOM 1305 CA ILE A 83 -0.437 3.660 -8.113 1.00 0.00 C ATOM 1306 C ILE A 83 -0.891 5.068 -8.495 1.00 0.00 C ATOM 1307 O ILE A 83 -1.822 5.233 -9.284 1.00 0.00 O ATOM 1308 CB ILE A 83 0.343 3.048 -9.296 1.00 0.00 C ATOM 1309 CG1 ILE A 83 0.781 1.619 -8.971 1.00 0.00 C ATOM 1310 CG2 ILE A 83 1.551 3.908 -9.638 1.00 0.00 C ATOM 1311 CD1 ILE A 83 -0.028 0.560 -9.687 1.00 0.00 C ATOM 0 H ILE A 83 -2.430 3.033 -8.281 1.00 0.00 H new ATOM 0 HA ILE A 83 0.223 3.700 -7.247 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.317 3.017 -10.163 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.832 1.501 -9.234 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.702 1.459 -7.896 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.090 3.462 -10.474 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.219 4.909 -9.913 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.211 3.969 -8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.339 -0.428 -9.409 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.077 0.651 -9.405 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.071 0.693 -10.764 1.00 0.00 H new ATOM 1323 N GLU A 84 -0.241 6.083 -7.927 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.603 7.467 -8.210 1.00 0.00 C ATOM 1325 C GLU A 84 0.604 8.390 -8.107 1.00 0.00 C ATOM 1326 O GLU A 84 1.709 7.956 -7.782 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.700 7.933 -7.249 1.00 0.00 C ATOM 1328 CG GLU A 84 -1.299 7.859 -5.784 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.493 7.908 -4.850 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -2.962 9.025 -4.544 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -2.958 6.830 -4.424 1.00 0.00 O ATOM 0 H GLU A 84 0.534 5.972 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.976 7.511 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.971 8.961 -7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.590 7.324 -7.404 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.743 6.938 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.627 8.686 -5.553 1.00 0.00 H new ATOM 1338 N GLU A 85 0.376 9.670 -8.378 1.00 0.00 N ATOM 1339 CA GLU A 85 1.435 10.672 -8.320 1.00 0.00 C ATOM 1340 C GLU A 85 0.966 11.907 -7.559 1.00 0.00 C ATOM 1341 O GLU A 85 -0.234 12.142 -7.417 1.00 0.00 O ATOM 1342 CB GLU A 85 1.872 11.066 -9.733 1.00 0.00 C ATOM 1343 CG GLU A 85 0.741 11.609 -10.592 1.00 0.00 C ATOM 1344 CD GLU A 85 0.139 10.556 -11.501 1.00 0.00 C ATOM 1345 OE1 GLU A 85 0.450 9.360 -11.315 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -0.645 10.926 -12.400 1.00 0.00 O ATOM 0 H GLU A 85 -0.537 10.040 -8.641 1.00 0.00 H new ATOM 0 HA GLU A 85 2.285 10.239 -7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.658 11.818 -9.665 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.306 10.196 -10.226 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.038 12.014 -9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.114 12.435 -11.197 1.00 0.00 H new ATOM 1353 N VAL A 86 1.920 12.690 -7.064 1.00 0.00 N ATOM 1354 CA VAL A 86 1.601 13.894 -6.304 1.00 0.00 C ATOM 1355 C VAL A 86 2.262 15.126 -6.915 1.00 0.00 C ATOM 1356 O VAL A 86 1.581 16.047 -7.367 1.00 0.00 O ATOM 1357 CB VAL A 86 2.043 13.763 -4.833 1.00 0.00 C ATOM 1358 CG1 VAL A 86 1.387 14.838 -3.980 1.00 0.00 C ATOM 1359 CG2 VAL A 86 1.718 12.377 -4.299 1.00 0.00 C ATOM 0 H VAL A 86 2.918 12.513 -7.175 1.00 0.00 H new ATOM 0 HA VAL A 86 0.518 14.012 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 86 3.123 13.902 -4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.711 14.729 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.676 15.822 -4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.303 14.734 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.037 12.304 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.643 12.206 -4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.240 11.627 -4.893 1.00 0.00 H new ATOM 1369 N GLY A 87 3.592 15.138 -6.922 1.00 0.00 N ATOM 1370 CA GLY A 87 4.320 16.265 -7.473 1.00 0.00 C ATOM 1371 C GLY A 87 5.340 15.848 -8.518 1.00 0.00 C ATOM 1372 O GLY A 87 5.103 14.908 -9.276 1.00 0.00 O ATOM 0 H GLY A 87 4.177 14.387 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.614 16.965 -7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.827 16.794 -6.666 1.00 0.00 H new ATOM 1376 N PRO A 88 6.496 16.536 -8.582 1.00 0.00 N ATOM 1377 CA PRO A 88 7.548 16.227 -9.560 1.00 0.00 C ATOM 1378 C PRO A 88 8.100 14.814 -9.394 1.00 0.00 C ATOM 1379 O PRO A 88 7.693 13.894 -10.104 1.00 0.00 O ATOM 1380 CB PRO A 88 8.637 17.267 -9.268 1.00 0.00 C ATOM 1381 CG PRO A 88 7.949 18.350 -8.510 1.00 0.00 C ATOM 1382 CD PRO A 88 6.863 17.675 -7.725 1.00 0.00 C ATOM 0 HA PRO A 88 7.171 16.267 -10.582 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.450 16.833 -8.685 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.075 17.649 -10.190 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.645 18.867 -7.849 1.00 0.00 H new ATOM 0 HG3 PRO A 88 7.535 19.098 -9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.216 17.347 -6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.017 18.340 -7.552 1.00 0.00 H new ATOM 1390 N SER A 89 9.033 14.649 -8.460 1.00 0.00 N ATOM 1391 CA SER A 89 9.645 13.349 -8.212 1.00 0.00 C ATOM 1392 C SER A 89 8.996 12.658 -7.020 1.00 0.00 C ATOM 1393 O SER A 89 9.357 11.534 -6.668 1.00 0.00 O ATOM 1394 CB SER A 89 11.147 13.507 -7.973 1.00 0.00 C ATOM 1395 OG SER A 89 11.428 14.702 -7.264 1.00 0.00 O ATOM 0 H SER A 89 9.381 15.400 -7.863 1.00 0.00 H new ATOM 0 HA SER A 89 9.488 12.728 -9.094 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.521 12.651 -7.412 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.672 13.515 -8.928 1.00 0.00 H new ATOM 0 HG SER A 89 11.290 14.554 -6.305 1.00 0.00 H new ATOM 1401 N GLU A 90 8.035 13.335 -6.405 1.00 0.00 N ATOM 1402 CA GLU A 90 7.321 12.784 -5.258 1.00 0.00 C ATOM 1403 C GLU A 90 6.054 12.069 -5.711 1.00 0.00 C ATOM 1404 O GLU A 90 5.148 12.687 -6.269 1.00 0.00 O ATOM 1405 CB GLU A 90 6.969 13.891 -4.261 1.00 0.00 C ATOM 1406 CG GLU A 90 6.530 15.190 -4.919 1.00 0.00 C ATOM 1407 CD GLU A 90 6.132 16.251 -3.911 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.832 16.388 -2.885 1.00 0.00 O ATOM 1409 OE2 GLU A 90 5.122 16.946 -4.149 1.00 0.00 O ATOM 0 H GLU A 90 7.731 14.269 -6.681 1.00 0.00 H new ATOM 0 HA GLU A 90 7.974 12.064 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.172 13.538 -3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.836 14.088 -3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.341 15.570 -5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.688 14.990 -5.582 1.00 0.00 H new ATOM 1416 N TRP A 91 6.001 10.760 -5.481 1.00 0.00 N ATOM 1417 CA TRP A 91 4.851 9.963 -5.888 1.00 0.00 C ATOM 1418 C TRP A 91 4.349 9.088 -4.745 1.00 0.00 C ATOM 1419 O TRP A 91 5.020 8.934 -3.721 1.00 0.00 O ATOM 1420 CB TRP A 91 5.214 9.089 -7.091 1.00 0.00 C ATOM 1421 CG TRP A 91 5.833 9.858 -8.218 1.00 0.00 C ATOM 1422 CD1 TRP A 91 5.242 10.839 -8.962 1.00 0.00 C ATOM 1423 CD2 TRP A 91 7.164 9.716 -8.727 1.00 0.00 C ATOM 1424 NE1 TRP A 91 6.123 11.313 -9.904 1.00 0.00 N ATOM 1425 CE2 TRP A 91 7.310 10.640 -9.780 1.00 0.00 C ATOM 1426 CE3 TRP A 91 8.247 8.896 -8.397 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 8.494 10.766 -10.502 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 9.422 9.022 -9.115 1.00 0.00 C ATOM 1429 CH2 TRP A 91 9.537 9.951 -10.157 1.00 0.00 C ATOM 0 H TRP A 91 6.739 10.231 -5.016 1.00 0.00 H new ATOM 0 HA TRP A 91 4.051 10.649 -6.167 1.00 0.00 H new ATOM 0 HB2 TRP A 91 5.905 8.310 -6.770 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.315 8.589 -7.452 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.230 11.191 -8.829 1.00 0.00 H new ATOM 0 HE1 TRP A 91 5.925 12.046 -10.585 1.00 0.00 H new ATOM 0 HE3 TRP A 91 8.167 8.177 -7.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 8.586 11.482 -11.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 10.265 8.394 -8.868 1.00 0.00 H new ATOM 0 HH2 TRP A 91 10.468 10.025 -10.699 1.00 0.00 H new ATOM 1440 N LYS A 92 3.160 8.520 -4.929 1.00 0.00 N ATOM 1441 CA LYS A 92 2.559 7.650 -3.927 1.00 0.00 C ATOM 1442 C LYS A 92 2.237 6.290 -4.533 1.00 0.00 C ATOM 1443 O LYS A 92 1.604 6.204 -5.585 1.00 0.00 O ATOM 1444 CB LYS A 92 1.287 8.288 -3.365 1.00 0.00 C ATOM 1445 CG LYS A 92 1.254 8.347 -1.846 1.00 0.00 C ATOM 1446 CD LYS A 92 0.059 7.593 -1.285 1.00 0.00 C ATOM 1447 CE LYS A 92 -0.367 8.150 0.063 1.00 0.00 C ATOM 1448 NZ LYS A 92 -1.794 8.577 0.061 1.00 0.00 N ATOM 0 H LYS A 92 2.593 8.649 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 92 3.272 7.513 -3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.192 9.299 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.422 7.725 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.174 7.923 -1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.214 9.387 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.774 7.656 -1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.309 6.537 -1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.215 7.393 0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.266 8.999 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.975 9.188 0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.998 9.103 -0.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.407 7.739 0.111 1.00 0.00 H new ATOM 1462 N ILE A 93 2.690 5.231 -3.874 1.00 0.00 N ATOM 1463 CA ILE A 93 2.466 3.878 -4.365 1.00 0.00 C ATOM 1464 C ILE A 93 1.803 3.010 -3.303 1.00 0.00 C ATOM 1465 O ILE A 93 2.051 3.173 -2.109 1.00 0.00 O ATOM 1466 CB ILE A 93 3.788 3.219 -4.806 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.543 4.137 -5.769 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.522 1.869 -5.455 1.00 0.00 C ATOM 1469 CD1 ILE A 93 5.644 4.937 -5.107 1.00 0.00 C ATOM 0 H ILE A 93 3.214 5.283 -3.000 1.00 0.00 H new ATOM 0 HA ILE A 93 1.803 3.957 -5.226 1.00 0.00 H new ATOM 0 HB ILE A 93 4.406 3.058 -3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.974 3.535 -6.569 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.835 4.824 -6.233 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.467 1.419 -5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.022 1.214 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.886 2.005 -6.330 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.135 5.565 -5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.217 5.566 -4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.374 4.257 -4.667 1.00 0.00 H new ATOM 1481 N TYR A 94 0.955 2.091 -3.747 1.00 0.00 N ATOM 1482 CA TYR A 94 0.263 1.187 -2.839 1.00 0.00 C ATOM 1483 C TYR A 94 0.633 -0.260 -3.139 1.00 0.00 C ATOM 1484 O TYR A 94 0.435 -0.746 -4.256 1.00 0.00 O ATOM 1485 CB TYR A 94 -1.252 1.374 -2.944 1.00 0.00 C ATOM 1486 CG TYR A 94 -1.786 2.502 -2.091 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.667 3.824 -2.500 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.415 2.244 -0.879 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -2.157 4.857 -1.725 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -2.908 3.271 -0.098 1.00 0.00 C ATOM 1491 CZ TYR A 94 -2.776 4.576 -0.524 1.00 0.00 C ATOM 1492 OH TYR A 94 -3.265 5.602 0.251 1.00 0.00 O ATOM 0 H TYR A 94 0.730 1.952 -4.732 1.00 0.00 H new ATOM 0 HA TYR A 94 0.574 1.424 -1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.515 1.562 -3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.745 0.446 -2.654 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.183 4.048 -3.439 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.520 1.223 -0.542 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.056 5.880 -2.057 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.394 3.053 0.841 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.930 5.509 1.167 1.00 0.00 H new ATOM 1502 N ILE A 95 1.133 -0.949 -2.117 1.00 0.00 N ATOM 1503 CA ILE A 95 1.553 -2.337 -2.245 1.00 0.00 C ATOM 1504 C ILE A 95 0.832 -3.194 -1.209 1.00 0.00 C ATOM 1505 O ILE A 95 0.529 -2.722 -0.115 1.00 0.00 O ATOM 1506 CB ILE A 95 3.090 -2.467 -2.070 1.00 0.00 C ATOM 1507 CG1 ILE A 95 3.734 -3.018 -3.344 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.446 -3.348 -0.878 1.00 0.00 C ATOM 1509 CD1 ILE A 95 3.749 -2.035 -4.494 1.00 0.00 C ATOM 0 H ILE A 95 1.257 -0.561 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 95 1.293 -2.687 -3.244 1.00 0.00 H new ATOM 0 HB ILE A 95 3.482 -1.468 -1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.758 -3.319 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.198 -3.916 -3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.530 -3.416 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.032 -2.914 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.031 -4.345 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.221 -2.497 -5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.726 -1.752 -4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.311 -1.146 -4.206 1.00 0.00 H new ATOM 1521 N LYS A 96 0.501 -4.429 -1.573 1.00 0.00 N ATOM 1522 CA LYS A 96 -0.215 -5.309 -0.652 1.00 0.00 C ATOM 1523 C LYS A 96 0.108 -6.778 -0.900 1.00 0.00 C ATOM 1524 O LYS A 96 -0.210 -7.329 -1.956 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.727 -5.060 -0.758 1.00 0.00 C ATOM 1526 CG LYS A 96 -2.590 -6.292 -0.519 1.00 0.00 C ATOM 1527 CD LYS A 96 -3.253 -6.762 -1.803 1.00 0.00 C ATOM 1528 CE LYS A 96 -4.754 -6.924 -1.630 1.00 0.00 C ATOM 1529 NZ LYS A 96 -5.516 -6.221 -2.699 1.00 0.00 N ATOM 0 H LYS A 96 0.712 -4.839 -2.483 1.00 0.00 H new ATOM 0 HA LYS A 96 0.117 -5.075 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.007 -4.291 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.948 -4.664 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.976 -7.094 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.354 -6.064 0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.053 -6.046 -2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.817 -7.712 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.008 -7.984 -1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.051 -6.534 -0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.536 -6.356 -2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.293 -5.205 -2.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.252 -6.610 -3.627 1.00 0.00 H new ATOM 1543 N VAL A 97 0.729 -7.412 0.089 1.00 0.00 N ATOM 1544 CA VAL A 97 1.068 -8.825 -0.003 1.00 0.00 C ATOM 1545 C VAL A 97 -0.198 -9.672 -0.050 1.00 0.00 C ATOM 1546 O VAL A 97 -1.067 -9.546 0.815 1.00 0.00 O ATOM 1547 CB VAL A 97 1.935 -9.278 1.187 1.00 0.00 C ATOM 1548 CG1 VAL A 97 2.491 -10.673 0.946 1.00 0.00 C ATOM 1549 CG2 VAL A 97 3.059 -8.285 1.439 1.00 0.00 C ATOM 0 H VAL A 97 1.008 -6.968 0.964 1.00 0.00 H new ATOM 0 HA VAL A 97 1.639 -8.963 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 97 1.305 -9.313 2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.100 -10.974 1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.668 -11.376 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.104 -10.670 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.660 -8.622 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.688 -8.214 0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.636 -7.306 1.663 1.00 0.00 H new ATOM 1559 N LYS A 98 -0.304 -10.514 -1.075 1.00 0.00 N ATOM 1560 CA LYS A 98 -1.469 -11.375 -1.247 1.00 0.00 C ATOM 1561 C LYS A 98 -1.338 -12.645 -0.413 1.00 0.00 C ATOM 1562 O LYS A 98 -2.305 -12.987 0.298 1.00 0.00 O ATOM 1563 CB LYS A 98 -1.642 -11.740 -2.723 1.00 0.00 C ATOM 1564 CG LYS A 98 -2.996 -11.354 -3.295 1.00 0.00 C ATOM 1565 CD LYS A 98 -2.986 -11.389 -4.815 1.00 0.00 C ATOM 1566 CE LYS A 98 -4.391 -11.291 -5.386 1.00 0.00 C ATOM 1567 NZ LYS A 98 -5.065 -10.024 -4.989 1.00 0.00 N ATOM 1568 OXT LYS A 98 -0.268 -13.287 -0.479 1.00 0.00 O ATOM 0 H LYS A 98 0.405 -10.618 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.347 -10.827 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.860 -11.250 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.501 -12.814 -2.841 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.759 -12.035 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.265 -10.354 -2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.380 -10.566 -5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.518 -12.313 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.346 -11.353 -6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.982 -12.140 -5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.001 -9.973 -5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.177 -9.999 -3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.489 -9.214 -5.294 1.00 0.00 H new