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 43 THR OG1 : rot 133:sc= -0.695 USER MOD Set 1.2: A 64 MET CE :methyl -139:sc= -2.81! (180deg=-5.52!) USER MOD Set 2.1: A 50 MET CE :methyl -166:sc= -2.06! (180deg=-1.38) USER MOD Set 2.2: A 75 LYS NZ :NH3+ 174:sc= -1.13 (180deg=-1.12!) 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 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.635 F(o=-1.5,f=-0.64) 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 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 68:sc= 0.981 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -10.7! C(o=-11!,f=-13!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 92 LYS NZ :NH3+ -125:sc= 0.218 (180deg=-0.278) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 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 -5.287 0.436 5.075 1.00 0.00 N ATOM 359 CA VAL A 25 -3.834 0.365 5.171 1.00 0.00 C ATOM 360 C VAL A 25 -3.393 0.002 6.588 1.00 0.00 C ATOM 361 O VAL A 25 -4.028 0.398 7.566 1.00 0.00 O ATOM 362 CB VAL A 25 -3.179 1.697 4.757 1.00 0.00 C ATOM 363 CG1 VAL A 25 -1.663 1.595 4.818 1.00 0.00 C ATOM 364 CG2 VAL A 25 -3.637 2.103 3.365 1.00 0.00 C ATOM 0 HA VAL A 25 -3.507 -0.416 4.485 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.493 2.468 5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.222 2.547 4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.355 1.354 5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.324 0.811 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.165 3.046 3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.354 1.331 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.720 2.224 3.359 1.00 0.00 H new ATOM 374 N THR A 26 -2.305 -0.756 6.687 1.00 0.00 N ATOM 375 CA THR A 26 -1.781 -1.181 7.978 1.00 0.00 C ATOM 376 C THR A 26 -0.510 -0.417 8.336 1.00 0.00 C ATOM 377 O THR A 26 -0.416 0.174 9.412 1.00 0.00 O ATOM 378 CB THR A 26 -1.496 -2.685 7.963 1.00 0.00 C ATOM 379 OG1 THR A 26 -2.436 -3.364 7.149 1.00 0.00 O ATOM 380 CG2 THR A 26 -1.535 -3.317 9.337 1.00 0.00 C ATOM 0 H THR A 26 -1.769 -1.089 5.886 1.00 0.00 H new ATOM 0 HA THR A 26 -2.535 -0.964 8.734 1.00 0.00 H new ATOM 0 HB THR A 26 -0.485 -2.784 7.567 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.237 -4.324 7.150 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.325 -4.383 9.253 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.785 -2.848 9.975 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.523 -3.176 9.775 1.00 0.00 H new ATOM 388 N LYS A 27 0.469 -0.434 7.432 1.00 0.00 N ATOM 389 CA LYS A 27 1.735 0.248 7.676 1.00 0.00 C ATOM 390 C LYS A 27 1.996 1.331 6.633 1.00 0.00 C ATOM 391 O LYS A 27 1.325 1.395 5.602 1.00 0.00 O ATOM 392 CB LYS A 27 2.886 -0.757 7.679 1.00 0.00 C ATOM 393 CG LYS A 27 4.037 -0.360 8.582 1.00 0.00 C ATOM 394 CD LYS A 27 3.849 -0.891 9.994 1.00 0.00 C ATOM 395 CE LYS A 27 3.249 0.164 10.910 1.00 0.00 C ATOM 396 NZ LYS A 27 4.299 0.995 11.563 1.00 0.00 N ATOM 0 H LYS A 27 0.409 -0.909 6.531 1.00 0.00 H new ATOM 0 HA LYS A 27 1.670 0.727 8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.507 -1.729 7.994 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.258 -0.874 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.971 -0.742 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.121 0.726 8.609 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.200 -1.766 9.971 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.810 -1.217 10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.582 0.807 10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.643 -0.322 11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.849 1.702 12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.920 0.385 12.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.862 1.479 10.834 1.00 0.00 H new ATOM 410 N THR A 28 2.978 2.183 6.914 1.00 0.00 N ATOM 411 CA THR A 28 3.343 3.262 6.005 1.00 0.00 C ATOM 412 C THR A 28 4.857 3.333 5.835 1.00 0.00 C ATOM 413 O THR A 28 5.593 3.493 6.808 1.00 0.00 O ATOM 414 CB THR A 28 2.817 4.600 6.528 1.00 0.00 C ATOM 415 OG1 THR A 28 1.407 4.564 6.668 1.00 0.00 O ATOM 416 CG2 THR A 28 3.162 5.769 5.630 1.00 0.00 C ATOM 0 H THR A 28 3.536 2.146 7.767 1.00 0.00 H new ATOM 0 HA THR A 28 2.891 3.057 5.035 1.00 0.00 H new ATOM 0 HB THR A 28 3.305 4.747 7.492 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.090 5.428 7.005 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.760 6.687 6.058 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.245 5.853 5.542 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.729 5.609 4.642 1.00 0.00 H new ATOM 424 N LEU A 29 5.315 3.210 4.593 1.00 0.00 N ATOM 425 CA LEU A 29 6.740 3.257 4.300 1.00 0.00 C ATOM 426 C LEU A 29 7.128 4.602 3.698 1.00 0.00 C ATOM 427 O LEU A 29 6.616 4.993 2.651 1.00 0.00 O ATOM 428 CB LEU A 29 7.119 2.130 3.340 1.00 0.00 C ATOM 429 CG LEU A 29 8.620 1.891 3.191 1.00 0.00 C ATOM 430 CD1 LEU A 29 8.924 0.401 3.165 1.00 0.00 C ATOM 431 CD2 LEU A 29 9.142 2.570 1.935 1.00 0.00 C ATOM 0 H LEU A 29 4.720 3.077 3.776 1.00 0.00 H new ATOM 0 HA LEU A 29 7.283 3.128 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.651 1.207 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.702 2.353 2.358 1.00 0.00 H new ATOM 0 HG LEU A 29 9.128 2.326 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.998 0.251 3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.584 -0.056 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.408 -0.061 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.213 2.391 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.630 2.165 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.958 3.643 1.998 1.00 0.00 H new ATOM 443 N ASP A 30 8.037 5.303 4.365 1.00 0.00 N ATOM 444 CA ASP A 30 8.503 6.603 3.894 1.00 0.00 C ATOM 445 C ASP A 30 10.024 6.677 3.933 1.00 0.00 C ATOM 446 O ASP A 30 10.635 6.525 4.992 1.00 0.00 O ATOM 447 CB ASP A 30 7.904 7.727 4.744 1.00 0.00 C ATOM 448 CG ASP A 30 7.096 7.203 5.915 1.00 0.00 C ATOM 449 OD1 ASP A 30 7.700 6.621 6.841 1.00 0.00 O ATOM 450 OD2 ASP A 30 5.859 7.376 5.908 1.00 0.00 O ATOM 0 H ASP A 30 8.467 4.993 5.236 1.00 0.00 H new ATOM 0 HA ASP A 30 8.174 6.727 2.862 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.707 8.363 5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.267 8.351 4.118 1.00 0.00 H new ATOM 455 N VAL A 31 10.634 6.901 2.773 1.00 0.00 N ATOM 456 CA VAL A 31 12.089 6.980 2.681 1.00 0.00 C ATOM 457 C VAL A 31 12.549 8.409 2.400 1.00 0.00 C ATOM 458 O VAL A 31 13.746 8.696 2.399 1.00 0.00 O ATOM 459 CB VAL A 31 12.640 6.045 1.587 1.00 0.00 C ATOM 460 CG1 VAL A 31 14.126 5.794 1.791 1.00 0.00 C ATOM 461 CG2 VAL A 31 11.870 4.733 1.569 1.00 0.00 C ATOM 0 H VAL A 31 10.146 7.031 1.887 1.00 0.00 H new ATOM 0 HA VAL A 31 12.481 6.661 3.646 1.00 0.00 H new ATOM 0 HB VAL A 31 12.508 6.533 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 31 14.494 5.132 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 31 14.664 6.741 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 31 14.286 5.329 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 31 12.273 4.085 0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.967 4.241 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.817 4.932 1.367 1.00 0.00 H new ATOM 471 N ARG A 32 11.586 9.305 2.192 1.00 0.00 N ATOM 472 CA ARG A 32 11.885 10.706 1.901 1.00 0.00 C ATOM 473 C ARG A 32 12.861 11.314 2.913 1.00 0.00 C ATOM 474 O ARG A 32 13.471 12.349 2.645 1.00 0.00 O ATOM 475 CB ARG A 32 10.594 11.524 1.877 1.00 0.00 C ATOM 476 CG ARG A 32 10.539 12.543 0.750 1.00 0.00 C ATOM 477 CD ARG A 32 9.850 13.824 1.191 1.00 0.00 C ATOM 478 NE ARG A 32 10.426 14.363 2.419 1.00 0.00 N ATOM 479 CZ ARG A 32 9.854 15.317 3.147 1.00 0.00 C ATOM 480 NH1 ARG A 32 8.692 15.835 2.770 1.00 0.00 N ATOM 481 NH2 ARG A 32 10.442 15.754 4.252 1.00 0.00 N ATOM 0 H ARG A 32 10.590 9.085 2.220 1.00 0.00 H new ATOM 0 HA ARG A 32 12.363 10.737 0.922 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.746 10.846 1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.485 12.042 2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.551 12.770 0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.008 12.117 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.927 14.568 0.398 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.788 13.630 1.344 1.00 0.00 H new ATOM 0 HE ARG A 32 11.319 13.986 2.737 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.236 15.501 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.254 16.567 3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.335 15.358 4.545 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.001 16.486 4.809 1.00 0.00 H new ATOM 631 N THR A 43 12.637 -0.184 5.331 1.00 0.00 N ATOM 632 CA THR A 43 12.132 -0.778 4.099 1.00 0.00 C ATOM 633 C THR A 43 12.753 -2.152 3.866 1.00 0.00 C ATOM 634 O THR A 43 12.075 -3.082 3.429 1.00 0.00 O ATOM 635 CB THR A 43 12.414 0.141 2.906 1.00 0.00 C ATOM 636 OG1 THR A 43 11.800 -0.362 1.733 1.00 0.00 O ATOM 637 CG2 THR A 43 13.888 0.322 2.612 1.00 0.00 C ATOM 0 HA THR A 43 11.054 -0.901 4.198 1.00 0.00 H new ATOM 0 HB THR A 43 12.001 1.109 3.189 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.328 0.364 1.274 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.009 0.985 1.755 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.381 0.758 3.481 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.336 -0.646 2.388 1.00 0.00 H new ATOM 645 N LYS A 44 14.039 -2.278 4.180 1.00 0.00 N ATOM 646 CA LYS A 44 14.746 -3.543 4.014 1.00 0.00 C ATOM 647 C LYS A 44 14.035 -4.660 4.769 1.00 0.00 C ATOM 648 O LYS A 44 13.890 -5.773 4.262 1.00 0.00 O ATOM 649 CB LYS A 44 16.190 -3.411 4.503 1.00 0.00 C ATOM 650 CG LYS A 44 16.982 -4.706 4.432 1.00 0.00 C ATOM 651 CD LYS A 44 17.780 -4.801 3.142 1.00 0.00 C ATOM 652 CE LYS A 44 19.083 -4.022 3.231 1.00 0.00 C ATOM 653 NZ LYS A 44 20.250 -4.835 2.792 1.00 0.00 N ATOM 0 H LYS A 44 14.612 -1.520 4.551 1.00 0.00 H new ATOM 0 HA LYS A 44 14.755 -3.795 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.698 -2.652 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.184 -3.056 5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.658 -4.767 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.301 -5.554 4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.995 -5.847 2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.182 -4.418 2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.013 -3.126 2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 44 19.238 -3.691 4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 21.118 -4.267 2.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 20.334 -5.677 3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 20.115 -5.130 1.804 1.00 0.00 H new ATOM 667 N ARG A 45 13.578 -4.349 5.978 1.00 0.00 N ATOM 668 CA ARG A 45 12.866 -5.318 6.799 1.00 0.00 C ATOM 669 C ARG A 45 11.504 -5.646 6.201 1.00 0.00 C ATOM 670 O ARG A 45 10.995 -6.751 6.371 1.00 0.00 O ATOM 671 CB ARG A 45 12.690 -4.782 8.211 1.00 0.00 C ATOM 672 CG ARG A 45 12.184 -5.835 9.181 1.00 0.00 C ATOM 673 CD ARG A 45 13.328 -6.543 9.885 1.00 0.00 C ATOM 674 NE ARG A 45 13.409 -6.184 11.298 1.00 0.00 N ATOM 675 CZ ARG A 45 14.553 -5.957 11.936 1.00 0.00 C ATOM 676 NH1 ARG A 45 15.709 -6.048 11.290 1.00 0.00 N ATOM 677 NH2 ARG A 45 14.543 -5.635 13.222 1.00 0.00 N ATOM 0 H ARG A 45 13.689 -3.432 6.410 1.00 0.00 H new ATOM 0 HA ARG A 45 13.459 -6.232 6.831 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.643 -4.393 8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 45 11.991 -3.946 8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.535 -5.367 9.921 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.579 -6.565 8.643 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.199 -7.621 9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.267 -6.291 9.393 1.00 0.00 H new ATOM 0 HE ARG A 45 12.539 -6.103 11.825 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.722 -6.293 10.300 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.584 -5.873 11.784 1.00 0.00 H new ATOM 0 HH21 ARG A 45 13.657 -5.561 13.722 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.421 -5.461 13.711 1.00 0.00 H new ATOM 691 N ALA A 46 10.917 -4.676 5.510 1.00 0.00 N ATOM 692 CA ALA A 46 9.607 -4.862 4.895 1.00 0.00 C ATOM 693 C ALA A 46 9.606 -6.058 3.946 1.00 0.00 C ATOM 694 O ALA A 46 8.675 -6.863 3.950 1.00 0.00 O ATOM 695 CB ALA A 46 9.183 -3.601 4.158 1.00 0.00 C ATOM 0 H ALA A 46 11.326 -3.754 5.361 1.00 0.00 H new ATOM 0 HA ALA A 46 8.889 -5.063 5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.204 -3.756 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.130 -2.769 4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.911 -3.372 3.380 1.00 0.00 H new ATOM 701 N LEU A 47 10.655 -6.170 3.134 1.00 0.00 N ATOM 702 CA LEU A 47 10.764 -7.258 2.168 1.00 0.00 C ATOM 703 C LEU A 47 11.039 -8.596 2.853 1.00 0.00 C ATOM 704 O LEU A 47 10.462 -9.619 2.485 1.00 0.00 O ATOM 705 CB LEU A 47 11.878 -6.965 1.157 1.00 0.00 C ATOM 706 CG LEU A 47 11.610 -5.811 0.182 1.00 0.00 C ATOM 707 CD1 LEU A 47 10.164 -5.816 -0.292 1.00 0.00 C ATOM 708 CD2 LEU A 47 11.959 -4.479 0.827 1.00 0.00 C ATOM 0 H LEU A 47 11.441 -5.520 3.127 1.00 0.00 H new ATOM 0 HA LEU A 47 9.808 -7.328 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.793 -6.746 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.064 -7.869 0.577 1.00 0.00 H new ATOM 0 HG LEU A 47 12.247 -5.952 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.004 -4.987 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.951 -6.757 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.500 -5.708 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.763 -3.671 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.351 -4.337 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.014 -4.473 1.102 1.00 0.00 H new ATOM 720 N GLN A 48 11.949 -8.590 3.822 1.00 0.00 N ATOM 721 CA GLN A 48 12.333 -9.814 4.520 1.00 0.00 C ATOM 722 C GLN A 48 11.340 -10.184 5.620 1.00 0.00 C ATOM 723 O GLN A 48 11.396 -11.284 6.169 1.00 0.00 O ATOM 724 CB GLN A 48 13.732 -9.659 5.119 1.00 0.00 C ATOM 725 CG GLN A 48 14.802 -10.426 4.363 1.00 0.00 C ATOM 726 CD GLN A 48 16.086 -9.633 4.209 1.00 0.00 C ATOM 727 OE1 GLN A 48 17.080 -9.903 4.882 1.00 0.00 O ATOM 728 NE2 GLN A 48 16.069 -8.648 3.318 1.00 0.00 N ATOM 0 H GLN A 48 12.435 -7.752 4.142 1.00 0.00 H new ATOM 0 HA GLN A 48 12.331 -10.621 3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.997 -8.602 5.135 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.715 -9.999 6.154 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.015 -11.358 4.887 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.424 -10.694 3.376 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.222 -8.460 2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.903 -8.080 3.170 1.00 0.00 H new ATOM 737 N ASN A 49 10.455 -9.254 5.961 1.00 0.00 N ATOM 738 CA ASN A 49 9.468 -9.493 7.009 1.00 0.00 C ATOM 739 C ASN A 49 8.087 -9.006 6.585 1.00 0.00 C ATOM 740 O ASN A 49 7.592 -7.995 7.083 1.00 0.00 O ATOM 741 CB ASN A 49 9.893 -8.801 8.309 1.00 0.00 C ATOM 742 CG ASN A 49 9.401 -9.534 9.541 1.00 0.00 C ATOM 743 OD1 ASN A 49 8.197 -9.200 9.988 1.00 0.00 O flip ATOM 744 ND2 ASN A 49 10.097 -10.391 10.086 1.00 0.00 N flip ATOM 0 H ASN A 49 10.400 -8.331 5.530 1.00 0.00 H new ATOM 0 HA ASN A 49 9.413 -10.568 7.179 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.980 -8.731 8.341 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.507 -7.782 8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.017 -10.617 9.708 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.753 -10.875 10.915 1.00 0.00 H new ATOM 751 N MET A 50 7.468 -9.738 5.667 1.00 0.00 N ATOM 752 CA MET A 50 6.140 -9.385 5.176 1.00 0.00 C ATOM 753 C MET A 50 5.092 -10.363 5.694 1.00 0.00 C ATOM 754 O MET A 50 5.320 -11.573 5.729 1.00 0.00 O ATOM 755 CB MET A 50 6.119 -9.371 3.644 1.00 0.00 C ATOM 756 CG MET A 50 7.492 -9.494 3.005 1.00 0.00 C ATOM 757 SD MET A 50 7.708 -11.048 2.116 1.00 0.00 S ATOM 758 CE MET A 50 7.764 -12.211 3.477 1.00 0.00 C ATOM 0 H MET A 50 7.863 -10.579 5.247 1.00 0.00 H new ATOM 0 HA MET A 50 5.902 -8.387 5.545 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.491 -10.190 3.292 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.654 -8.445 3.306 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.644 -8.662 2.317 1.00 0.00 H new ATOM 0 HG3 MET A 50 8.257 -9.413 3.778 1.00 0.00 H new ATOM 0 HE1 MET A 50 8.138 -13.171 3.120 1.00 0.00 H new ATOM 0 HE2 MET A 50 8.426 -11.830 4.254 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.762 -12.341 3.886 1.00 0.00 H new ATOM 768 N LYS A 51 3.939 -9.832 6.091 1.00 0.00 N ATOM 769 CA LYS A 51 2.853 -10.660 6.601 1.00 0.00 C ATOM 770 C LYS A 51 1.849 -10.978 5.492 1.00 0.00 C ATOM 771 O LYS A 51 1.716 -10.220 4.532 1.00 0.00 O ATOM 772 CB LYS A 51 2.146 -9.963 7.765 1.00 0.00 C ATOM 773 CG LYS A 51 2.834 -10.146 9.106 1.00 0.00 C ATOM 774 CD LYS A 51 4.258 -9.615 9.090 1.00 0.00 C ATOM 775 CE LYS A 51 5.083 -10.196 10.225 1.00 0.00 C ATOM 776 NZ LYS A 51 4.941 -9.403 11.478 1.00 0.00 N ATOM 0 H LYS A 51 3.734 -8.833 6.069 1.00 0.00 H new ATOM 0 HA LYS A 51 3.281 -11.595 6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.075 -8.897 7.547 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.127 -10.342 7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.264 -9.632 9.880 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.844 -11.204 9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.727 -9.858 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.243 -8.528 9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.773 -11.225 10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.132 -10.227 9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.520 -9.832 12.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.261 -8.428 11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.944 -9.394 11.772 1.00 0.00 H new ATOM 790 N PRO A 52 1.135 -12.113 5.609 1.00 0.00 N ATOM 791 CA PRO A 52 0.160 -12.543 4.598 1.00 0.00 C ATOM 792 C PRO A 52 -0.871 -11.469 4.262 1.00 0.00 C ATOM 793 O PRO A 52 -1.230 -11.291 3.100 1.00 0.00 O ATOM 794 CB PRO A 52 -0.519 -13.747 5.253 1.00 0.00 C ATOM 795 CG PRO A 52 0.498 -14.282 6.198 1.00 0.00 C ATOM 796 CD PRO A 52 1.245 -13.085 6.714 1.00 0.00 C ATOM 0 HA PRO A 52 0.644 -12.765 3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.430 -13.453 5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.803 -14.494 4.512 1.00 0.00 H new ATOM 0 HG2 PRO A 52 0.025 -14.829 7.013 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.171 -14.977 5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.803 -12.701 7.633 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.285 -13.325 6.936 1.00 0.00 H new ATOM 804 N GLY A 53 -1.392 -10.799 5.286 1.00 0.00 N ATOM 805 CA GLY A 53 -2.400 -9.773 5.064 1.00 0.00 C ATOM 806 C GLY A 53 -1.867 -8.358 5.208 1.00 0.00 C ATOM 807 O GLY A 53 -2.449 -7.548 5.930 1.00 0.00 O ATOM 0 H GLY A 53 -1.137 -10.946 6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.818 -9.895 4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.217 -9.919 5.771 1.00 0.00 H new ATOM 811 N GLU A 54 -0.756 -8.051 4.539 1.00 0.00 N ATOM 812 CA GLU A 54 -0.178 -6.712 4.617 1.00 0.00 C ATOM 813 C GLU A 54 -0.713 -5.804 3.516 1.00 0.00 C ATOM 814 O GLU A 54 -0.689 -6.158 2.339 1.00 0.00 O ATOM 815 CB GLU A 54 1.348 -6.769 4.533 1.00 0.00 C ATOM 816 CG GLU A 54 2.013 -7.211 5.825 1.00 0.00 C ATOM 817 CD GLU A 54 1.628 -6.343 7.008 1.00 0.00 C ATOM 818 OE1 GLU A 54 2.262 -5.284 7.197 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.695 -6.724 7.745 1.00 0.00 O ATOM 0 H GLU A 54 -0.244 -8.703 3.944 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.469 -6.296 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.634 -7.454 3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.725 -5.784 4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.740 -8.245 6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.095 -7.187 5.699 1.00 0.00 H new ATOM 826 N ILE A 55 -1.185 -4.628 3.913 1.00 0.00 N ATOM 827 CA ILE A 55 -1.683 -3.631 2.970 1.00 0.00 C ATOM 828 C ILE A 55 -1.149 -2.255 3.345 1.00 0.00 C ATOM 829 O ILE A 55 -1.778 -1.533 4.114 1.00 0.00 O ATOM 830 CB ILE A 55 -3.223 -3.579 2.949 1.00 0.00 C ATOM 831 CG1 ILE A 55 -3.811 -4.989 3.031 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.712 -2.871 1.695 1.00 0.00 C ATOM 833 CD1 ILE A 55 -4.618 -5.236 4.287 1.00 0.00 C ATOM 0 H ILE A 55 -1.234 -4.339 4.890 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.336 -3.918 1.978 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.560 -3.016 3.819 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.446 -5.160 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.000 -5.715 2.981 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.802 -2.842 1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.322 -1.853 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.363 -3.409 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.004 -6.255 4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.982 -5.097 5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.450 -4.533 4.329 1.00 0.00 H new ATOM 845 N LEU A 56 0.014 -1.894 2.813 1.00 0.00 N ATOM 846 CA LEU A 56 0.640 -0.625 3.169 1.00 0.00 C ATOM 847 C LEU A 56 0.809 0.288 1.963 1.00 0.00 C ATOM 848 O LEU A 56 0.392 -0.038 0.852 1.00 0.00 O ATOM 849 CB LEU A 56 2.007 -0.872 3.811 1.00 0.00 C ATOM 850 CG LEU A 56 2.549 -2.291 3.650 1.00 0.00 C ATOM 851 CD1 LEU A 56 3.962 -2.265 3.087 1.00 0.00 C ATOM 852 CD2 LEU A 56 2.514 -3.021 4.980 1.00 0.00 C ATOM 0 H LEU A 56 0.538 -2.455 2.141 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.022 -0.129 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.725 -0.174 3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.939 -0.644 4.875 1.00 0.00 H new ATOM 0 HG LEU A 56 1.914 -2.827 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.330 -3.285 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.956 -1.777 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.614 -1.714 3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.903 -4.031 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.127 -2.486 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.487 -3.071 5.341 1.00 0.00 H new ATOM 864 N GLU A 57 1.412 1.446 2.209 1.00 0.00 N ATOM 865 CA GLU A 57 1.656 2.428 1.162 1.00 0.00 C ATOM 866 C GLU A 57 3.116 2.865 1.179 1.00 0.00 C ATOM 867 O GLU A 57 3.880 2.467 2.058 1.00 0.00 O ATOM 868 CB GLU A 57 0.740 3.640 1.345 1.00 0.00 C ATOM 869 CG GLU A 57 0.964 4.381 2.655 1.00 0.00 C ATOM 870 CD GLU A 57 -0.263 5.145 3.110 1.00 0.00 C ATOM 871 OE1 GLU A 57 -1.378 4.588 3.022 1.00 0.00 O ATOM 872 OE2 GLU A 57 -0.110 6.303 3.555 1.00 0.00 O ATOM 0 H GLU A 57 1.742 1.728 3.132 1.00 0.00 H new ATOM 0 HA GLU A 57 1.438 1.969 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.895 4.330 0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.298 3.311 1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.250 3.667 3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.797 5.075 2.538 1.00 0.00 H new ATOM 879 N VAL A 58 3.506 3.669 0.195 1.00 0.00 N ATOM 880 CA VAL A 58 4.883 4.136 0.097 1.00 0.00 C ATOM 881 C VAL A 58 4.943 5.599 -0.333 1.00 0.00 C ATOM 882 O VAL A 58 4.236 6.017 -1.249 1.00 0.00 O ATOM 883 CB VAL A 58 5.694 3.282 -0.900 1.00 0.00 C ATOM 884 CG1 VAL A 58 7.178 3.596 -0.794 1.00 0.00 C ATOM 885 CG2 VAL A 58 5.440 1.799 -0.670 1.00 0.00 C ATOM 0 H VAL A 58 2.890 4.009 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 58 5.321 4.038 1.090 1.00 0.00 H new ATOM 0 HB VAL A 58 5.364 3.531 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.731 2.983 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.344 4.650 -1.017 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.524 3.380 0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.022 1.215 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.737 1.532 0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.380 1.586 -0.806 1.00 0.00 H new ATOM 895 N TRP A 59 5.802 6.367 0.331 1.00 0.00 N ATOM 896 CA TRP A 59 5.965 7.784 0.020 1.00 0.00 C ATOM 897 C TRP A 59 7.415 8.094 -0.340 1.00 0.00 C ATOM 898 O TRP A 59 8.289 8.127 0.532 1.00 0.00 O ATOM 899 CB TRP A 59 5.524 8.645 1.208 1.00 0.00 C ATOM 900 CG TRP A 59 5.852 10.098 1.050 1.00 0.00 C ATOM 901 CD1 TRP A 59 6.912 10.764 1.597 1.00 0.00 C ATOM 902 CD2 TRP A 59 5.119 11.068 0.291 1.00 0.00 C ATOM 903 NE1 TRP A 59 6.880 12.087 1.226 1.00 0.00 N ATOM 904 CE2 TRP A 59 5.789 12.298 0.425 1.00 0.00 C ATOM 905 CE3 TRP A 59 3.959 11.014 -0.486 1.00 0.00 C ATOM 906 CZ2 TRP A 59 5.339 13.463 -0.190 1.00 0.00 C ATOM 907 CZ3 TRP A 59 3.513 12.172 -1.096 1.00 0.00 C ATOM 908 CH2 TRP A 59 4.202 13.382 -0.945 1.00 0.00 C ATOM 0 H TRP A 59 6.397 6.032 1.089 1.00 0.00 H new ATOM 0 HA TRP A 59 5.336 8.019 -0.839 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.448 8.537 1.345 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.000 8.270 2.114 1.00 0.00 H new ATOM 0 HD1 TRP A 59 7.665 10.316 2.229 1.00 0.00 H new ATOM 0 HE1 TRP A 59 7.559 12.797 1.502 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.421 10.086 -0.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.869 14.397 -0.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.618 12.143 -1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.828 14.269 -1.435 1.00 0.00 H new ATOM 919 N ILE A 60 7.673 8.283 -1.633 1.00 0.00 N ATOM 920 CA ILE A 60 9.022 8.581 -2.108 1.00 0.00 C ATOM 921 C ILE A 60 8.998 9.245 -3.478 1.00 0.00 C ATOM 922 O ILE A 60 7.935 9.487 -4.048 1.00 0.00 O ATOM 923 CB ILE A 60 9.891 7.308 -2.197 1.00 0.00 C ATOM 924 CG1 ILE A 60 9.015 6.053 -2.246 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.854 7.244 -1.024 1.00 0.00 C ATOM 926 CD1 ILE A 60 8.207 5.922 -3.519 1.00 0.00 C ATOM 0 H ILE A 60 6.968 8.235 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 60 9.456 9.265 -1.378 1.00 0.00 H new ATOM 0 HB ILE A 60 10.470 7.351 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.650 5.174 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.335 6.062 -1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.460 6.341 -1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.503 8.119 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.290 7.225 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.612 5.009 -3.480 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.545 6.782 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.881 5.880 -4.375 1.00 0.00 H new ATOM 938 N ASP A 61 10.187 9.513 -4.013 1.00 0.00 N ATOM 939 CA ASP A 61 10.319 10.105 -5.337 1.00 0.00 C ATOM 940 C ASP A 61 10.644 9.024 -6.362 1.00 0.00 C ATOM 941 O ASP A 61 10.550 9.243 -7.570 1.00 0.00 O ATOM 942 CB ASP A 61 11.412 11.177 -5.340 1.00 0.00 C ATOM 943 CG ASP A 61 11.069 12.356 -4.450 1.00 0.00 C ATOM 944 OD1 ASP A 61 11.248 12.243 -3.219 1.00 0.00 O ATOM 945 OD2 ASP A 61 10.620 13.392 -4.985 1.00 0.00 O ATOM 0 H ASP A 61 11.075 9.328 -3.546 1.00 0.00 H new ATOM 0 HA ASP A 61 9.372 10.575 -5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.351 10.735 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.569 11.529 -6.360 1.00 0.00 H new ATOM 950 N TYR A 62 11.024 7.852 -5.862 1.00 0.00 N ATOM 951 CA TYR A 62 11.351 6.716 -6.715 1.00 0.00 C ATOM 952 C TYR A 62 10.601 5.469 -6.247 1.00 0.00 C ATOM 953 O TYR A 62 10.689 5.090 -5.079 1.00 0.00 O ATOM 954 CB TYR A 62 12.860 6.453 -6.701 1.00 0.00 C ATOM 955 CG TYR A 62 13.697 7.705 -6.569 1.00 0.00 C ATOM 956 CD1 TYR A 62 14.006 8.480 -7.679 1.00 0.00 C ATOM 957 CD2 TYR A 62 14.181 8.111 -5.331 1.00 0.00 C ATOM 958 CE1 TYR A 62 14.770 9.624 -7.560 1.00 0.00 C ATOM 959 CE2 TYR A 62 14.946 9.255 -5.205 1.00 0.00 C ATOM 960 CZ TYR A 62 15.238 10.008 -6.322 1.00 0.00 C ATOM 961 OH TYR A 62 16.000 11.147 -6.199 1.00 0.00 O ATOM 0 H TYR A 62 11.113 7.664 -4.863 1.00 0.00 H new ATOM 0 HA TYR A 62 11.045 6.952 -7.734 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.095 5.782 -5.875 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.138 5.937 -7.620 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.643 8.183 -8.652 1.00 0.00 H new ATOM 0 HD2 TYR A 62 13.956 7.523 -4.454 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.000 10.216 -8.434 1.00 0.00 H new ATOM 0 HE2 TYR A 62 15.313 9.558 -4.236 1.00 0.00 H new ATOM 0 HH TYR A 62 16.248 11.275 -5.259 1.00 0.00 H new ATOM 971 N PRO A 63 9.833 4.827 -7.148 1.00 0.00 N ATOM 972 CA PRO A 63 9.049 3.632 -6.812 1.00 0.00 C ATOM 973 C PRO A 63 9.855 2.592 -6.042 1.00 0.00 C ATOM 974 O PRO A 63 10.671 1.873 -6.620 1.00 0.00 O ATOM 975 CB PRO A 63 8.643 3.085 -8.181 1.00 0.00 C ATOM 976 CG PRO A 63 8.591 4.284 -9.062 1.00 0.00 C ATOM 977 CD PRO A 63 9.661 5.218 -8.562 1.00 0.00 C ATOM 0 HA PRO A 63 8.209 3.870 -6.160 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.365 2.355 -8.547 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.677 2.583 -8.137 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.768 4.011 -10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.610 4.757 -9.019 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.587 5.104 -9.125 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.358 6.261 -8.655 1.00 0.00 H new ATOM 985 N MET A 64 9.613 2.511 -4.737 1.00 0.00 N ATOM 986 CA MET A 64 10.304 1.548 -3.885 1.00 0.00 C ATOM 987 C MET A 64 9.935 0.122 -4.279 1.00 0.00 C ATOM 988 O MET A 64 10.652 -0.833 -3.964 1.00 0.00 O ATOM 989 CB MET A 64 9.952 1.795 -2.417 1.00 0.00 C ATOM 990 CG MET A 64 10.859 1.062 -1.442 1.00 0.00 C ATOM 991 SD MET A 64 10.174 -0.518 -0.909 1.00 0.00 S ATOM 992 CE MET A 64 11.591 -1.591 -1.127 1.00 0.00 C ATOM 0 H MET A 64 8.942 3.102 -4.245 1.00 0.00 H new ATOM 0 HA MET A 64 11.378 1.678 -4.019 1.00 0.00 H new ATOM 0 HB2 MET A 64 10.004 2.865 -2.215 1.00 0.00 H new ATOM 0 HB3 MET A 64 8.921 1.487 -2.243 1.00 0.00 H new ATOM 0 HG2 MET A 64 11.829 0.894 -1.910 1.00 0.00 H new ATOM 0 HG3 MET A 64 11.032 1.692 -0.569 1.00 0.00 H new ATOM 0 HE1 MET A 64 11.266 -2.541 -1.552 1.00 0.00 H new ATOM 0 HE2 MET A 64 12.306 -1.118 -1.800 1.00 0.00 H new ATOM 0 HE3 MET A 64 12.065 -1.769 -0.162 1.00 0.00 H new ATOM 1002 N SER A 65 8.820 -0.016 -4.988 1.00 0.00 N ATOM 1003 CA SER A 65 8.366 -1.322 -5.442 1.00 0.00 C ATOM 1004 C SER A 65 9.391 -1.951 -6.379 1.00 0.00 C ATOM 1005 O SER A 65 9.296 -3.129 -6.716 1.00 0.00 O ATOM 1006 CB SER A 65 7.012 -1.200 -6.143 1.00 0.00 C ATOM 1007 OG SER A 65 7.172 -0.890 -7.517 1.00 0.00 O ATOM 0 H SER A 65 8.216 0.760 -5.260 1.00 0.00 H new ATOM 0 HA SER A 65 8.253 -1.968 -4.571 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.461 -2.135 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.418 -0.425 -5.659 1.00 0.00 H new ATOM 0 HG SER A 65 6.291 -0.820 -7.941 1.00 0.00 H new ATOM 1013 N LYS A 66 10.382 -1.157 -6.784 1.00 0.00 N ATOM 1014 CA LYS A 66 11.442 -1.639 -7.661 1.00 0.00 C ATOM 1015 C LYS A 66 12.166 -2.820 -7.027 1.00 0.00 C ATOM 1016 O LYS A 66 12.540 -3.772 -7.711 1.00 0.00 O ATOM 1017 CB LYS A 66 12.435 -0.514 -7.960 1.00 0.00 C ATOM 1018 CG LYS A 66 13.076 0.081 -6.715 1.00 0.00 C ATOM 1019 CD LYS A 66 14.111 1.135 -7.071 1.00 0.00 C ATOM 1020 CE LYS A 66 15.518 0.559 -7.058 1.00 0.00 C ATOM 1021 NZ LYS A 66 16.436 1.314 -7.954 1.00 0.00 N ATOM 0 H LYS A 66 10.470 -0.177 -6.517 1.00 0.00 H new ATOM 0 HA LYS A 66 10.990 -1.970 -8.596 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.218 -0.897 -8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.921 0.277 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.305 0.525 -6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.547 -0.711 -6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.892 1.543 -8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.048 1.962 -6.364 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.908 0.577 -6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.485 -0.485 -7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.385 0.890 -7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.078 1.276 -8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.488 2.305 -7.643 1.00 0.00 H new ATOM 1035 N GLU A 67 12.354 -2.752 -5.712 1.00 0.00 N ATOM 1036 CA GLU A 67 12.999 -3.829 -4.971 1.00 0.00 C ATOM 1037 C GLU A 67 11.951 -4.806 -4.456 1.00 0.00 C ATOM 1038 O GLU A 67 12.234 -5.983 -4.220 1.00 0.00 O ATOM 1039 CB GLU A 67 13.811 -3.262 -3.805 1.00 0.00 C ATOM 1040 CG GLU A 67 15.278 -3.658 -3.835 1.00 0.00 C ATOM 1041 CD GLU A 67 16.183 -2.513 -4.248 1.00 0.00 C ATOM 1042 OE1 GLU A 67 16.010 -1.397 -3.713 1.00 0.00 O ATOM 1043 OE2 GLU A 67 17.063 -2.732 -5.106 1.00 0.00 O ATOM 0 H GLU A 67 12.068 -1.960 -5.137 1.00 0.00 H new ATOM 0 HA GLU A 67 13.677 -4.358 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.737 -2.175 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.371 -3.602 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.575 -4.013 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.412 -4.490 -4.527 1.00 0.00 H new ATOM 1050 N ARG A 68 10.728 -4.310 -4.304 1.00 0.00 N ATOM 1051 CA ARG A 68 9.628 -5.140 -3.837 1.00 0.00 C ATOM 1052 C ARG A 68 9.336 -6.262 -4.832 1.00 0.00 C ATOM 1053 O ARG A 68 9.079 -7.398 -4.436 1.00 0.00 O ATOM 1054 CB ARG A 68 8.377 -4.288 -3.617 1.00 0.00 C ATOM 1055 CG ARG A 68 8.405 -3.493 -2.321 1.00 0.00 C ATOM 1056 CD ARG A 68 7.017 -3.364 -1.715 1.00 0.00 C ATOM 1057 NE ARG A 68 7.014 -2.506 -0.535 1.00 0.00 N ATOM 1058 CZ ARG A 68 7.241 -2.946 0.700 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.489 -4.233 0.914 1.00 0.00 N ATOM 1060 NH2 ARG A 68 7.220 -2.102 1.721 1.00 0.00 N ATOM 0 H ARG A 68 10.476 -3.341 -4.497 1.00 0.00 H new ATOM 0 HA ARG A 68 9.918 -5.590 -2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.264 -3.599 -4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.501 -4.936 -3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.070 -3.981 -1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.814 -2.501 -2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.332 -2.959 -2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.646 -4.353 -1.445 1.00 0.00 H new ATOM 0 HE ARG A 68 6.827 -1.512 -0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.506 -4.886 0.131 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.663 -4.568 1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.030 -1.113 1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.394 -2.441 2.667 1.00 0.00 H new ATOM 1074 N ILE A 69 9.403 -5.944 -6.124 1.00 0.00 N ATOM 1075 CA ILE A 69 9.129 -6.924 -7.170 1.00 0.00 C ATOM 1076 C ILE A 69 10.045 -8.148 -7.066 1.00 0.00 C ATOM 1077 O ILE A 69 9.555 -9.268 -6.965 1.00 0.00 O ATOM 1078 CB ILE A 69 9.249 -6.311 -8.582 1.00 0.00 C ATOM 1079 CG1 ILE A 69 8.309 -5.112 -8.725 1.00 0.00 C ATOM 1080 CG2 ILE A 69 8.941 -7.356 -9.644 1.00 0.00 C ATOM 1081 CD1 ILE A 69 8.839 -4.034 -9.645 1.00 0.00 C ATOM 0 H ILE A 69 9.645 -5.015 -6.470 1.00 0.00 H new ATOM 0 HA ILE A 69 8.099 -7.246 -7.015 1.00 0.00 H new ATOM 0 HB ILE A 69 10.274 -5.967 -8.723 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.346 -5.458 -9.101 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.130 -4.682 -7.740 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.030 -6.907 -10.633 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.646 -8.183 -9.556 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.926 -7.728 -9.505 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.121 -3.216 -9.698 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.787 -3.660 -9.259 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.991 -4.449 -10.641 1.00 0.00 H new ATOM 1093 N PRO A 70 11.386 -7.969 -7.095 1.00 0.00 N ATOM 1094 CA PRO A 70 12.326 -9.095 -7.027 1.00 0.00 C ATOM 1095 C PRO A 70 12.069 -10.002 -5.824 1.00 0.00 C ATOM 1096 O PRO A 70 12.237 -11.219 -5.908 1.00 0.00 O ATOM 1097 CB PRO A 70 13.708 -8.435 -6.920 1.00 0.00 C ATOM 1098 CG PRO A 70 13.451 -6.989 -6.655 1.00 0.00 C ATOM 1099 CD PRO A 70 12.093 -6.687 -7.222 1.00 0.00 C ATOM 0 HA PRO A 70 12.227 -9.743 -7.898 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.293 -8.882 -6.116 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.277 -8.568 -7.840 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.481 -6.779 -5.586 1.00 0.00 H new ATOM 0 HG3 PRO A 70 14.214 -6.367 -7.123 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.592 -5.894 -6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.153 -6.361 -8.260 1.00 0.00 H new ATOM 1107 N GLU A 71 11.643 -9.410 -4.713 1.00 0.00 N ATOM 1108 CA GLU A 71 11.366 -10.182 -3.504 1.00 0.00 C ATOM 1109 C GLU A 71 10.080 -10.997 -3.647 1.00 0.00 C ATOM 1110 O GLU A 71 10.106 -12.232 -3.654 1.00 0.00 O ATOM 1111 CB GLU A 71 11.260 -9.250 -2.295 1.00 0.00 C ATOM 1112 CG GLU A 71 12.597 -8.690 -1.839 1.00 0.00 C ATOM 1113 CD GLU A 71 13.455 -9.724 -1.134 1.00 0.00 C ATOM 1114 OE1 GLU A 71 12.888 -10.691 -0.583 1.00 0.00 O ATOM 1115 OE2 GLU A 71 14.694 -9.566 -1.133 1.00 0.00 O ATOM 0 H GLU A 71 11.483 -8.407 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 71 12.193 -10.876 -3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.594 -8.423 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.802 -9.792 -1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.138 -8.303 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.424 -7.849 -1.168 1.00 0.00 H new ATOM 1122 N THR A 72 8.952 -10.299 -3.755 1.00 0.00 N ATOM 1123 CA THR A 72 7.657 -10.961 -3.875 1.00 0.00 C ATOM 1124 C THR A 72 7.611 -11.874 -5.096 1.00 0.00 C ATOM 1125 O THR A 72 6.836 -12.826 -5.129 1.00 0.00 O ATOM 1126 CB THR A 72 6.527 -9.932 -3.948 1.00 0.00 C ATOM 1127 OG1 THR A 72 7.011 -8.629 -3.678 1.00 0.00 O ATOM 1128 CG2 THR A 72 5.402 -10.211 -2.976 1.00 0.00 C ATOM 0 H THR A 72 8.909 -9.280 -3.762 1.00 0.00 H new ATOM 0 HA THR A 72 7.519 -11.574 -2.985 1.00 0.00 H new ATOM 0 HB THR A 72 6.139 -10.005 -4.964 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.596 -8.339 -4.409 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.634 -9.445 -3.079 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.970 -11.189 -3.190 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.790 -10.201 -1.958 1.00 0.00 H new ATOM 1136 N VAL A 73 8.437 -11.584 -6.100 1.00 0.00 N ATOM 1137 CA VAL A 73 8.473 -12.407 -7.307 1.00 0.00 C ATOM 1138 C VAL A 73 9.218 -13.706 -7.043 1.00 0.00 C ATOM 1139 O VAL A 73 8.934 -14.732 -7.663 1.00 0.00 O ATOM 1140 CB VAL A 73 9.108 -11.675 -8.504 1.00 0.00 C ATOM 1141 CG1 VAL A 73 10.627 -11.691 -8.417 1.00 0.00 C ATOM 1142 CG2 VAL A 73 8.638 -12.290 -9.813 1.00 0.00 C ATOM 0 H VAL A 73 9.083 -10.795 -6.103 1.00 0.00 H new ATOM 0 HA VAL A 73 7.438 -12.624 -7.569 1.00 0.00 H new ATOM 0 HB VAL A 73 8.784 -10.635 -8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.046 -11.167 -9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.944 -11.196 -7.499 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.980 -12.722 -8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.096 -11.761 -10.649 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.927 -13.340 -9.846 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.553 -12.210 -9.884 1.00 0.00 H new ATOM 1152 N LYS A 74 10.150 -13.666 -6.094 1.00 0.00 N ATOM 1153 CA LYS A 74 10.881 -14.862 -5.708 1.00 0.00 C ATOM 1154 C LYS A 74 9.889 -15.914 -5.250 1.00 0.00 C ATOM 1155 O LYS A 74 9.959 -17.076 -5.651 1.00 0.00 O ATOM 1156 CB LYS A 74 11.869 -14.549 -4.584 1.00 0.00 C ATOM 1157 CG LYS A 74 13.235 -15.185 -4.779 1.00 0.00 C ATOM 1158 CD LYS A 74 14.304 -14.135 -5.035 1.00 0.00 C ATOM 1159 CE LYS A 74 15.511 -14.339 -4.135 1.00 0.00 C ATOM 1160 NZ LYS A 74 16.299 -13.086 -3.969 1.00 0.00 N ATOM 0 H LYS A 74 10.413 -12.823 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 74 11.447 -15.232 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.988 -13.468 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.450 -14.891 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.497 -15.765 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.198 -15.881 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.615 -14.178 -6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.888 -13.142 -4.867 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.180 -14.692 -3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.149 -15.116 -4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.113 -13.268 -3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.637 -12.763 -4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.698 -12.351 -3.545 1.00 0.00 H new ATOM 1174 N LYS A 75 8.916 -15.468 -4.461 1.00 0.00 N ATOM 1175 CA LYS A 75 7.846 -16.342 -3.997 1.00 0.00 C ATOM 1176 C LYS A 75 6.679 -16.314 -4.984 1.00 0.00 C ATOM 1177 O LYS A 75 6.508 -17.235 -5.784 1.00 0.00 O ATOM 1178 CB LYS A 75 7.369 -15.915 -2.606 1.00 0.00 C ATOM 1179 CG LYS A 75 8.491 -15.443 -1.696 1.00 0.00 C ATOM 1180 CD LYS A 75 8.436 -13.941 -1.477 1.00 0.00 C ATOM 1181 CE LYS A 75 7.448 -13.574 -0.381 1.00 0.00 C ATOM 1182 NZ LYS A 75 7.691 -14.347 0.867 1.00 0.00 N ATOM 0 H LYS A 75 8.847 -14.506 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 75 8.232 -17.359 -3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.637 -15.114 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.858 -16.753 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.422 -15.954 -0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.453 -15.713 -2.132 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.428 -13.574 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.151 -13.447 -2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.522 -12.508 -0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.432 -13.759 -0.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.065 -13.997 1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.496 -15.354 0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.682 -14.231 1.160 1.00 0.00 H new ATOM 1196 N LEU A 76 5.882 -15.249 -4.921 1.00 0.00 N ATOM 1197 CA LEU A 76 4.752 -15.075 -5.831 1.00 0.00 C ATOM 1198 C LEU A 76 5.130 -14.152 -6.988 1.00 0.00 C ATOM 1199 O LEU A 76 5.781 -14.570 -7.946 1.00 0.00 O ATOM 1200 CB LEU A 76 3.541 -14.505 -5.085 1.00 0.00 C ATOM 1201 CG LEU A 76 3.876 -13.619 -3.881 1.00 0.00 C ATOM 1202 CD1 LEU A 76 2.941 -12.421 -3.828 1.00 0.00 C ATOM 1203 CD2 LEU A 76 3.798 -14.418 -2.590 1.00 0.00 C ATOM 0 H LEU A 76 5.999 -14.492 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 76 4.489 -16.053 -6.233 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.941 -13.925 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.921 -15.334 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 76 4.897 -13.254 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.192 -11.801 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.049 -11.835 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.911 -12.767 -3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.039 -13.771 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.790 -14.813 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.509 -15.243 -2.629 1.00 0.00 H new ATOM 1215 N GLY A 77 4.718 -12.889 -6.885 1.00 0.00 N ATOM 1216 CA GLY A 77 5.032 -11.907 -7.905 1.00 0.00 C ATOM 1217 C GLY A 77 5.257 -10.532 -7.309 1.00 0.00 C ATOM 1218 O GLY A 77 6.394 -10.139 -7.047 1.00 0.00 O ATOM 0 H GLY A 77 4.168 -12.529 -6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.924 -12.219 -8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.218 -11.861 -8.629 1.00 0.00 H new ATOM 1222 N HIS A 78 4.173 -9.789 -7.117 1.00 0.00 N ATOM 1223 CA HIS A 78 4.250 -8.466 -6.507 1.00 0.00 C ATOM 1224 C HIS A 78 3.001 -8.172 -5.684 1.00 0.00 C ATOM 1225 O HIS A 78 2.043 -8.945 -5.690 1.00 0.00 O ATOM 1226 CB HIS A 78 4.443 -7.387 -7.565 1.00 0.00 C ATOM 1227 CG HIS A 78 4.959 -6.093 -7.020 1.00 0.00 C ATOM 1228 ND1 HIS A 78 4.319 -4.905 -7.278 1.00 0.00 N ATOM 1229 CD2 HIS A 78 6.037 -5.856 -6.234 1.00 0.00 C ATOM 1230 CE1 HIS A 78 5.018 -3.975 -6.656 1.00 0.00 C ATOM 1231 NE2 HIS A 78 6.068 -4.504 -6.010 1.00 0.00 N ATOM 0 H HIS A 78 3.230 -10.080 -7.375 1.00 0.00 H new ATOM 0 HA HIS A 78 5.114 -8.459 -5.843 1.00 0.00 H new ATOM 0 HB2 HIS A 78 5.136 -7.754 -8.322 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.491 -7.206 -8.064 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.735 -6.589 -5.858 1.00 0.00 H new ATOM 0 HE1 HIS A 78 4.776 -2.923 -6.666 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.759 -3.996 -5.457 1.00 0.00 H new ATOM 1239 N GLU A 79 3.031 -7.059 -4.964 1.00 0.00 N ATOM 1240 CA GLU A 79 1.914 -6.634 -4.149 1.00 0.00 C ATOM 1241 C GLU A 79 1.290 -5.375 -4.742 1.00 0.00 C ATOM 1242 O GLU A 79 1.401 -4.291 -4.176 1.00 0.00 O ATOM 1243 CB GLU A 79 2.400 -6.370 -2.726 1.00 0.00 C ATOM 1244 CG GLU A 79 3.505 -7.310 -2.273 1.00 0.00 C ATOM 1245 CD GLU A 79 4.761 -6.573 -1.851 1.00 0.00 C ATOM 1246 OE1 GLU A 79 4.873 -6.230 -0.655 1.00 0.00 O ATOM 1247 OE2 GLU A 79 5.631 -6.338 -2.715 1.00 0.00 O ATOM 0 H GLU A 79 3.833 -6.429 -4.932 1.00 0.00 H new ATOM 0 HA GLU A 79 1.156 -7.417 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.759 -5.343 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.557 -6.458 -2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.145 -7.913 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.747 -7.998 -3.083 1.00 0.00 H new ATOM 1254 N VAL A 80 0.660 -5.517 -5.901 1.00 0.00 N ATOM 1255 CA VAL A 80 0.089 -4.371 -6.596 1.00 0.00 C ATOM 1256 C VAL A 80 -1.409 -4.244 -6.353 1.00 0.00 C ATOM 1257 O VAL A 80 -2.181 -5.150 -6.669 1.00 0.00 O ATOM 1258 CB VAL A 80 0.340 -4.450 -8.117 1.00 0.00 C ATOM 1259 CG1 VAL A 80 0.775 -3.097 -8.656 1.00 0.00 C ATOM 1260 CG2 VAL A 80 1.375 -5.520 -8.442 1.00 0.00 C ATOM 0 H VAL A 80 0.532 -6.410 -6.378 1.00 0.00 H new ATOM 0 HA VAL A 80 0.589 -3.492 -6.190 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.595 -4.728 -8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.948 -3.171 -9.730 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.006 -2.361 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.695 -2.787 -8.161 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.535 -5.556 -9.520 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.315 -5.281 -7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.017 -6.489 -8.095 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.814 -3.095 -5.817 1.00 0.00 N ATOM 1271 CA LEU A 81 -3.222 -2.825 -5.559 1.00 0.00 C ATOM 1272 C LEU A 81 -3.610 -1.433 -6.044 1.00 0.00 C ATOM 1273 O LEU A 81 -4.686 -1.246 -6.613 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.542 -2.982 -4.068 1.00 0.00 C ATOM 1275 CG LEU A 81 -3.198 -1.779 -3.185 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -4.447 -0.966 -2.884 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -2.530 -2.233 -1.894 1.00 0.00 C ATOM 0 H LEU A 81 -1.185 -2.337 -5.553 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.809 -3.555 -6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.606 -3.193 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.006 -3.852 -3.690 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.496 -1.145 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.185 -0.115 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.881 -0.608 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.172 -1.592 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.294 -1.363 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.206 -2.890 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.612 -2.771 -2.129 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.736 -0.458 -5.816 1.00 0.00 N ATOM 1290 CA GLU A 82 -3.013 0.913 -6.239 1.00 0.00 C ATOM 1291 C GLU A 82 -1.733 1.710 -6.480 1.00 0.00 C ATOM 1292 O GLU A 82 -0.702 1.457 -5.859 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.879 1.626 -5.199 1.00 0.00 C ATOM 1294 CG GLU A 82 -5.082 2.337 -5.792 1.00 0.00 C ATOM 1295 CD GLU A 82 -5.369 3.664 -5.115 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -5.377 3.704 -3.866 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -5.586 4.662 -5.833 1.00 0.00 O ATOM 0 H GLU A 82 -1.840 -0.587 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.551 0.855 -7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.224 0.898 -4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.266 2.352 -4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.912 2.505 -6.855 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.958 1.693 -5.707 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.820 2.681 -7.388 1.00 0.00 N ATOM 1305 CA ILE A 83 -0.692 3.554 -7.707 1.00 0.00 C ATOM 1306 C ILE A 83 -1.181 4.983 -7.938 1.00 0.00 C ATOM 1307 O ILE A 83 -2.248 5.192 -8.513 1.00 0.00 O ATOM 1308 CB ILE A 83 0.069 3.080 -8.963 1.00 0.00 C ATOM 1309 CG1 ILE A 83 0.205 1.556 -8.974 1.00 0.00 C ATOM 1310 CG2 ILE A 83 1.441 3.736 -9.026 1.00 0.00 C ATOM 1311 CD1 ILE A 83 -0.475 0.897 -10.154 1.00 0.00 C ATOM 0 H ILE A 83 -2.667 2.884 -7.919 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.011 3.519 -6.857 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.502 3.376 -9.843 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.263 1.294 -8.982 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.216 1.155 -8.052 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.968 3.393 -9.917 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.325 4.819 -9.067 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.014 3.466 -8.139 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.338 -0.183 -10.097 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.540 1.129 -10.136 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.038 1.270 -11.080 1.00 0.00 H new ATOM 1323 N GLU A 84 -0.404 5.966 -7.486 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.788 7.365 -7.644 1.00 0.00 C ATOM 1325 C GLU A 84 0.423 8.290 -7.599 1.00 0.00 C ATOM 1326 O GLU A 84 1.551 7.849 -7.372 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.785 7.763 -6.552 1.00 0.00 C ATOM 1328 CG GLU A 84 -1.180 7.795 -5.157 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.029 8.575 -4.172 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -3.248 8.312 -4.100 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -1.475 9.448 -3.473 1.00 0.00 O ATOM 0 H GLU A 84 0.487 5.820 -7.012 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.256 7.471 -8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.192 8.747 -6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.620 7.062 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.055 6.774 -4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.186 8.239 -5.206 1.00 0.00 H new ATOM 1338 N GLU A 85 0.174 9.577 -7.817 1.00 0.00 N ATOM 1339 CA GLU A 85 1.230 10.582 -7.796 1.00 0.00 C ATOM 1340 C GLU A 85 0.782 11.819 -7.028 1.00 0.00 C ATOM 1341 O GLU A 85 -0.354 11.897 -6.563 1.00 0.00 O ATOM 1342 CB GLU A 85 1.628 10.966 -9.223 1.00 0.00 C ATOM 1343 CG GLU A 85 0.538 11.704 -9.985 1.00 0.00 C ATOM 1344 CD GLU A 85 0.325 11.151 -11.380 1.00 0.00 C ATOM 1345 OE1 GLU A 85 1.289 11.157 -12.175 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -0.806 10.713 -11.680 1.00 0.00 O ATOM 0 H GLU A 85 -0.755 9.950 -8.011 1.00 0.00 H new ATOM 0 HA GLU A 85 2.096 10.155 -7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.520 11.591 -9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.895 10.063 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.396 11.641 -9.427 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.799 12.760 -10.053 1.00 0.00 H new ATOM 1353 N VAL A 86 1.692 12.774 -6.886 1.00 0.00 N ATOM 1354 CA VAL A 86 1.409 13.993 -6.143 1.00 0.00 C ATOM 1355 C VAL A 86 2.102 15.198 -6.777 1.00 0.00 C ATOM 1356 O VAL A 86 1.460 16.206 -7.077 1.00 0.00 O ATOM 1357 CB VAL A 86 1.845 13.847 -4.673 1.00 0.00 C ATOM 1358 CG1 VAL A 86 3.138 13.050 -4.581 1.00 0.00 C ATOM 1359 CG2 VAL A 86 1.986 15.210 -4.016 1.00 0.00 C ATOM 0 H VAL A 86 2.633 12.727 -7.276 1.00 0.00 H new ATOM 0 HA VAL A 86 0.332 14.159 -6.176 1.00 0.00 H new ATOM 0 HB VAL A 86 1.073 13.299 -4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.433 12.955 -3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.985 12.058 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.923 13.565 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.295 15.084 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.736 15.795 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.029 15.731 -4.049 1.00 0.00 H new ATOM 1369 N GLY A 87 3.412 15.090 -6.977 1.00 0.00 N ATOM 1370 CA GLY A 87 4.163 16.182 -7.569 1.00 0.00 C ATOM 1371 C GLY A 87 4.923 15.759 -8.814 1.00 0.00 C ATOM 1372 O GLY A 87 4.527 14.809 -9.490 1.00 0.00 O ATOM 0 H GLY A 87 3.966 14.267 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.480 16.993 -7.822 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.866 16.575 -6.835 1.00 0.00 H new ATOM 1376 N PRO A 88 6.029 16.451 -9.146 1.00 0.00 N ATOM 1377 CA PRO A 88 6.836 16.133 -10.331 1.00 0.00 C ATOM 1378 C PRO A 88 7.373 14.705 -10.300 1.00 0.00 C ATOM 1379 O PRO A 88 6.844 13.820 -10.973 1.00 0.00 O ATOM 1380 CB PRO A 88 7.989 17.142 -10.270 1.00 0.00 C ATOM 1381 CG PRO A 88 7.495 18.244 -9.397 1.00 0.00 C ATOM 1382 CD PRO A 88 6.574 17.600 -8.402 1.00 0.00 C ATOM 0 HA PRO A 88 6.250 16.198 -11.248 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.890 16.687 -9.858 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.243 17.510 -11.264 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.323 18.746 -8.895 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.971 19.000 -9.982 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.107 17.284 -7.505 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.787 18.282 -8.081 1.00 0.00 H new ATOM 1390 N SER A 89 8.429 14.487 -9.521 1.00 0.00 N ATOM 1391 CA SER A 89 9.036 13.166 -9.412 1.00 0.00 C ATOM 1392 C SER A 89 8.581 12.456 -8.143 1.00 0.00 C ATOM 1393 O SER A 89 8.946 11.307 -7.897 1.00 0.00 O ATOM 1394 CB SER A 89 10.562 13.278 -9.431 1.00 0.00 C ATOM 1395 OG SER A 89 10.972 14.630 -9.538 1.00 0.00 O ATOM 0 H SER A 89 8.881 15.207 -8.957 1.00 0.00 H new ATOM 0 HA SER A 89 8.712 12.576 -10.269 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.973 12.841 -8.521 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.962 12.706 -10.268 1.00 0.00 H new ATOM 0 HG SER A 89 11.951 14.675 -9.546 1.00 0.00 H new ATOM 1401 N GLU A 90 7.787 13.151 -7.339 1.00 0.00 N ATOM 1402 CA GLU A 90 7.269 12.584 -6.096 1.00 0.00 C ATOM 1403 C GLU A 90 5.900 11.954 -6.319 1.00 0.00 C ATOM 1404 O GLU A 90 5.028 12.547 -6.952 1.00 0.00 O ATOM 1405 CB GLU A 90 7.178 13.661 -5.011 1.00 0.00 C ATOM 1406 CG GLU A 90 6.671 15.000 -5.518 1.00 0.00 C ATOM 1407 CD GLU A 90 6.762 16.093 -4.470 1.00 0.00 C ATOM 1408 OE1 GLU A 90 7.632 15.992 -3.579 1.00 0.00 O ATOM 1409 OE2 GLU A 90 5.967 17.054 -4.544 1.00 0.00 O ATOM 0 H GLU A 90 7.486 14.108 -7.523 1.00 0.00 H new ATOM 0 HA GLU A 90 7.960 11.808 -5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.518 13.310 -4.218 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.164 13.801 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.247 15.294 -6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.635 14.894 -5.838 1.00 0.00 H new ATOM 1416 N TRP A 91 5.720 10.741 -5.804 1.00 0.00 N ATOM 1417 CA TRP A 91 4.455 10.029 -5.950 1.00 0.00 C ATOM 1418 C TRP A 91 4.220 9.073 -4.784 1.00 0.00 C ATOM 1419 O TRP A 91 5.092 8.883 -3.934 1.00 0.00 O ATOM 1420 CB TRP A 91 4.429 9.253 -7.271 1.00 0.00 C ATOM 1421 CG TRP A 91 5.776 8.764 -7.706 1.00 0.00 C ATOM 1422 CD1 TRP A 91 6.601 7.914 -7.027 1.00 0.00 C ATOM 1423 CD2 TRP A 91 6.457 9.096 -8.922 1.00 0.00 C ATOM 1424 NE1 TRP A 91 7.751 7.697 -7.745 1.00 0.00 N ATOM 1425 CE2 TRP A 91 7.686 8.412 -8.912 1.00 0.00 C ATOM 1426 CE3 TRP A 91 6.144 9.905 -10.018 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 8.603 8.514 -9.955 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 7.055 10.006 -11.052 1.00 0.00 C ATOM 1429 CH2 TRP A 91 8.272 9.313 -11.014 1.00 0.00 C ATOM 0 H TRP A 91 6.433 10.231 -5.283 1.00 0.00 H new ATOM 0 HA TRP A 91 3.655 10.770 -5.952 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.758 8.400 -7.169 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.015 9.893 -8.050 1.00 0.00 H new ATOM 0 HD1 TRP A 91 6.381 7.476 -6.065 1.00 0.00 H new ATOM 0 HE1 TRP A 91 8.527 7.101 -7.457 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.207 10.441 -10.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 9.542 7.981 -9.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 6.825 10.629 -11.903 1.00 0.00 H new ATOM 0 HH2 TRP A 91 8.963 9.412 -11.838 1.00 0.00 H new ATOM 1440 N LYS A 92 3.033 8.473 -4.759 1.00 0.00 N ATOM 1441 CA LYS A 92 2.675 7.524 -3.714 1.00 0.00 C ATOM 1442 C LYS A 92 2.301 6.178 -4.325 1.00 0.00 C ATOM 1443 O LYS A 92 1.696 6.120 -5.394 1.00 0.00 O ATOM 1444 CB LYS A 92 1.507 8.062 -2.884 1.00 0.00 C ATOM 1445 CG LYS A 92 1.843 8.262 -1.414 1.00 0.00 C ATOM 1446 CD LYS A 92 0.751 9.034 -0.692 1.00 0.00 C ATOM 1447 CE LYS A 92 1.068 9.197 0.786 1.00 0.00 C ATOM 1448 NZ LYS A 92 1.120 7.887 1.490 1.00 0.00 N ATOM 0 H LYS A 92 2.302 8.629 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 92 3.538 7.388 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.181 9.013 -3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.667 7.372 -2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.981 7.292 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.788 8.798 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.634 10.016 -1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.200 8.514 -0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.024 9.708 0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.312 9.830 1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.466 7.901 2.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.843 7.129 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.087 7.714 1.830 1.00 0.00 H new ATOM 1462 N ILE A 93 2.669 5.098 -3.645 1.00 0.00 N ATOM 1463 CA ILE A 93 2.382 3.756 -4.139 1.00 0.00 C ATOM 1464 C ILE A 93 1.633 2.934 -3.100 1.00 0.00 C ATOM 1465 O ILE A 93 1.786 3.144 -1.898 1.00 0.00 O ATOM 1466 CB ILE A 93 3.673 3.002 -4.526 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.833 3.981 -4.748 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.437 2.146 -5.762 1.00 0.00 C ATOM 1469 CD1 ILE A 93 4.742 4.769 -6.040 1.00 0.00 C ATOM 0 H ILE A 93 3.165 5.125 -2.754 1.00 0.00 H new ATOM 0 HA ILE A 93 1.760 3.881 -5.026 1.00 0.00 H new ATOM 0 HB ILE A 93 3.947 2.344 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.870 4.679 -3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 93 5.770 3.424 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.356 1.621 -6.022 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.650 1.420 -5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.135 2.783 -6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.600 5.437 -6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.738 4.082 -6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.823 5.356 -6.044 1.00 0.00 H new ATOM 1481 N TYR A 94 0.827 1.992 -3.572 1.00 0.00 N ATOM 1482 CA TYR A 94 0.081 1.109 -2.686 1.00 0.00 C ATOM 1483 C TYR A 94 0.495 -0.336 -2.919 1.00 0.00 C ATOM 1484 O TYR A 94 0.375 -0.855 -4.033 1.00 0.00 O ATOM 1485 CB TYR A 94 -1.425 1.267 -2.900 1.00 0.00 C ATOM 1486 CG TYR A 94 -2.022 2.457 -2.184 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.667 3.755 -2.534 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.945 2.285 -1.159 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -2.211 4.845 -1.882 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -3.494 3.370 -0.504 1.00 0.00 C ATOM 1491 CZ TYR A 94 -3.124 4.647 -0.867 1.00 0.00 C ATOM 1492 OH TYR A 94 -3.669 5.729 -0.216 1.00 0.00 O ATOM 0 H TYR A 94 0.673 1.820 -4.566 1.00 0.00 H new ATOM 0 HA TYR A 94 0.310 1.384 -1.656 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.623 1.361 -3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.928 0.361 -2.561 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.954 3.914 -3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.238 1.286 -0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.923 5.847 -2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.211 3.218 0.290 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.294 5.417 0.471 1.00 0.00 H new ATOM 1502 N ILE A 95 0.936 -0.990 -1.850 1.00 0.00 N ATOM 1503 CA ILE A 95 1.408 -2.364 -1.927 1.00 0.00 C ATOM 1504 C ILE A 95 0.625 -3.240 -0.958 1.00 0.00 C ATOM 1505 O ILE A 95 0.112 -2.755 0.051 1.00 0.00 O ATOM 1506 CB ILE A 95 2.925 -2.443 -1.615 1.00 0.00 C ATOM 1507 CG1 ILE A 95 3.671 -3.143 -2.753 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.188 -3.155 -0.293 1.00 0.00 C ATOM 1509 CD1 ILE A 95 3.893 -2.265 -3.964 1.00 0.00 C ATOM 0 H ILE A 95 0.976 -0.585 -0.914 1.00 0.00 H new ATOM 0 HA ILE A 95 1.249 -2.727 -2.942 1.00 0.00 H new ATOM 0 HB ILE A 95 3.297 -1.422 -1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.637 -3.489 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.109 -4.027 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.261 -3.192 -0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.698 -2.613 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.793 -4.170 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.427 -2.829 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.931 -1.940 -4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.481 -1.393 -3.678 1.00 0.00 H new ATOM 1521 N LYS A 96 0.494 -4.521 -1.285 1.00 0.00 N ATOM 1522 CA LYS A 96 -0.286 -5.427 -0.448 1.00 0.00 C ATOM 1523 C LYS A 96 0.255 -6.851 -0.493 1.00 0.00 C ATOM 1524 O LYS A 96 -0.039 -7.610 -1.417 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.748 -5.405 -0.895 1.00 0.00 C ATOM 1526 CG LYS A 96 -1.914 -5.468 -2.402 1.00 0.00 C ATOM 1527 CD LYS A 96 -2.558 -6.771 -2.845 1.00 0.00 C ATOM 1528 CE LYS A 96 -3.658 -6.530 -3.868 1.00 0.00 C ATOM 1529 NZ LYS A 96 -4.931 -7.198 -3.482 1.00 0.00 N ATOM 0 H LYS A 96 0.911 -4.951 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.209 -5.082 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.272 -6.247 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.222 -4.497 -0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.525 -4.629 -2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.940 -5.363 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.799 -7.426 -3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.972 -7.286 -1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.828 -5.458 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.335 -6.899 -4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.655 -7.010 -4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.776 -8.224 -3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.253 -6.828 -2.565 1.00 0.00 H new ATOM 1543 N VAL A 97 1.053 -7.205 0.508 1.00 0.00 N ATOM 1544 CA VAL A 97 1.629 -8.540 0.583 1.00 0.00 C ATOM 1545 C VAL A 97 0.535 -9.594 0.662 1.00 0.00 C ATOM 1546 O VAL A 97 -0.255 -9.606 1.604 1.00 0.00 O ATOM 1547 CB VAL A 97 2.557 -8.684 1.803 1.00 0.00 C ATOM 1548 CG1 VAL A 97 3.327 -9.995 1.736 1.00 0.00 C ATOM 1549 CG2 VAL A 97 3.506 -7.499 1.894 1.00 0.00 C ATOM 0 H VAL A 97 1.315 -6.587 1.276 1.00 0.00 H new ATOM 0 HA VAL A 97 2.215 -8.689 -0.324 1.00 0.00 H new ATOM 0 HB VAL A 97 1.945 -8.697 2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.978 -10.080 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.625 -10.829 1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.930 -10.017 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.154 -7.618 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.114 -7.450 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.930 -6.579 1.994 1.00 0.00 H new ATOM 1559 N LYS A 98 0.482 -10.461 -0.342 1.00 0.00 N ATOM 1560 CA LYS A 98 -0.521 -11.519 -0.387 1.00 0.00 C ATOM 1561 C LYS A 98 -0.018 -12.776 0.315 1.00 0.00 C ATOM 1562 O LYS A 98 1.202 -12.863 0.570 1.00 0.00 O ATOM 1563 CB LYS A 98 -0.887 -11.842 -1.837 1.00 0.00 C ATOM 1564 CG LYS A 98 -2.262 -12.475 -1.990 1.00 0.00 C ATOM 1565 CD LYS A 98 -3.089 -11.764 -3.049 1.00 0.00 C ATOM 1566 CE LYS A 98 -2.933 -12.422 -4.412 1.00 0.00 C ATOM 1567 NZ LYS A 98 -3.506 -11.585 -5.502 1.00 0.00 N ATOM 1568 OXT LYS A 98 -0.849 -13.664 0.603 1.00 0.00 O ATOM 0 H LYS A 98 1.122 -10.453 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.410 -11.165 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.851 -10.925 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.137 -12.516 -2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.152 -13.526 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.787 -12.443 -1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.139 -11.772 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.783 -10.720 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.876 -12.601 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.425 -13.394 -4.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.379 -12.069 -6.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.520 -11.435 -5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.019 -10.666 -5.527 1.00 0.00 H new