USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=15 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 -140:sc= -0.0453 USER MOD Set 1.2: A 64 MET CE :methyl -109:sc= -1.41 (180deg=-3.79!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= -0.0962 (180deg=-0.68) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= -0.145 (180deg=-0.607) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.046) USER MOD Single : A 50 MET CE :methyl -150:sc= -0.1 (180deg=-0.762) 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 110:sc= -1.42! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -90:sc= -0.384 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -118:sc= 0.0302 (180deg=-0.699) USER MOD Single : A 78 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-1) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 96 LYS NZ :NH3+ -176:sc= 0.251 (180deg=0.244) USER MOD Single : A 98 LYS NZ :NH3+ 160:sc= -0.0429 (180deg=-0.261) USER MOD ----------------------------------------------------------------- ATOM 358 N VAL A 25 -6.115 -0.808 3.706 1.00 0.00 N ATOM 359 CA VAL A 25 -4.728 -0.641 4.124 1.00 0.00 C ATOM 360 C VAL A 25 -4.554 -0.957 5.607 1.00 0.00 C ATOM 361 O VAL A 25 -5.464 -0.742 6.409 1.00 0.00 O ATOM 362 CB VAL A 25 -4.228 0.791 3.849 1.00 0.00 C ATOM 363 CG1 VAL A 25 -2.730 0.894 4.091 1.00 0.00 C ATOM 364 CG2 VAL A 25 -4.574 1.213 2.430 1.00 0.00 C ATOM 0 HA VAL A 25 -4.135 -1.343 3.538 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.730 1.468 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.398 1.913 3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.510 0.638 5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.206 0.205 3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.213 2.226 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.102 0.532 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.655 1.184 2.295 1.00 0.00 H new ATOM 374 N THR A 26 -3.379 -1.468 5.961 1.00 0.00 N ATOM 375 CA THR A 26 -3.076 -1.816 7.342 1.00 0.00 C ATOM 376 C THR A 26 -1.900 -1.001 7.867 1.00 0.00 C ATOM 377 O THR A 26 -1.953 -0.456 8.970 1.00 0.00 O ATOM 378 CB THR A 26 -2.765 -3.310 7.457 1.00 0.00 C ATOM 379 OG1 THR A 26 -3.089 -3.981 6.251 1.00 0.00 O ATOM 380 CG2 THR A 26 -3.511 -3.994 8.581 1.00 0.00 C ATOM 0 H THR A 26 -2.619 -1.650 5.306 1.00 0.00 H new ATOM 0 HA THR A 26 -3.953 -1.584 7.947 1.00 0.00 H new ATOM 0 HB THR A 26 -1.697 -3.369 7.668 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.882 -4.935 6.342 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.244 -5.050 8.605 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.243 -3.530 9.530 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.584 -3.895 8.419 1.00 0.00 H new ATOM 388 N LYS A 27 -0.834 -0.921 7.072 1.00 0.00 N ATOM 389 CA LYS A 27 0.353 -0.173 7.468 1.00 0.00 C ATOM 390 C LYS A 27 0.693 0.902 6.442 1.00 0.00 C ATOM 391 O LYS A 27 0.336 0.790 5.269 1.00 0.00 O ATOM 392 CB LYS A 27 1.542 -1.122 7.644 1.00 0.00 C ATOM 393 CG LYS A 27 2.109 -1.130 9.053 1.00 0.00 C ATOM 394 CD LYS A 27 3.603 -0.855 9.056 1.00 0.00 C ATOM 395 CE LYS A 27 4.401 -2.098 8.698 1.00 0.00 C ATOM 396 NZ LYS A 27 4.197 -3.193 9.685 1.00 0.00 N ATOM 0 H LYS A 27 -0.770 -1.363 6.155 1.00 0.00 H new ATOM 0 HA LYS A 27 0.141 0.317 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.232 -2.133 7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.329 -0.838 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.599 -0.378 9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.915 -2.097 9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.829 -0.060 8.345 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.906 -0.498 10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.108 -2.444 7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.461 -1.847 8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.006 -3.846 9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.118 -2.789 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.325 -3.710 9.455 1.00 0.00 H new ATOM 410 N THR A 28 1.371 1.952 6.895 1.00 0.00 N ATOM 411 CA THR A 28 1.761 3.049 6.016 1.00 0.00 C ATOM 412 C THR A 28 3.208 3.462 6.272 1.00 0.00 C ATOM 413 O THR A 28 3.539 3.955 7.351 1.00 0.00 O ATOM 414 CB THR A 28 0.832 4.248 6.224 1.00 0.00 C ATOM 415 OG1 THR A 28 -0.521 3.867 6.043 1.00 0.00 O ATOM 416 CG2 THR A 28 1.115 5.399 5.283 1.00 0.00 C ATOM 0 H THR A 28 1.662 2.066 7.866 1.00 0.00 H new ATOM 0 HA THR A 28 1.677 2.706 4.985 1.00 0.00 H new ATOM 0 HB THR A 28 1.017 4.584 7.244 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.101 4.645 6.181 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.420 6.214 5.486 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.137 5.748 5.432 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.992 5.065 4.253 1.00 0.00 H new ATOM 424 N LEU A 29 4.067 3.260 5.277 1.00 0.00 N ATOM 425 CA LEU A 29 5.472 3.624 5.399 1.00 0.00 C ATOM 426 C LEU A 29 5.761 4.916 4.646 1.00 0.00 C ATOM 427 O LEU A 29 5.607 4.980 3.427 1.00 0.00 O ATOM 428 CB LEU A 29 6.363 2.500 4.869 1.00 0.00 C ATOM 429 CG LEU A 29 7.843 2.626 5.236 1.00 0.00 C ATOM 430 CD1 LEU A 29 8.431 1.261 5.562 1.00 0.00 C ATOM 431 CD2 LEU A 29 8.618 3.290 4.108 1.00 0.00 C ATOM 0 H LEU A 29 3.814 2.847 4.379 1.00 0.00 H new ATOM 0 HA LEU A 29 5.692 3.780 6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.989 1.549 5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.274 2.467 3.783 1.00 0.00 H new ATOM 0 HG LEU A 29 7.926 3.254 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.484 1.371 5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.894 0.825 6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.337 0.608 4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.669 3.371 4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.528 2.690 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.213 4.285 3.925 1.00 0.00 H new ATOM 443 N ASP A 30 6.171 5.946 5.378 1.00 0.00 N ATOM 444 CA ASP A 30 6.471 7.239 4.776 1.00 0.00 C ATOM 445 C ASP A 30 7.803 7.783 5.279 1.00 0.00 C ATOM 446 O ASP A 30 7.959 8.071 6.465 1.00 0.00 O ATOM 447 CB ASP A 30 5.352 8.237 5.081 1.00 0.00 C ATOM 448 CG ASP A 30 4.954 8.229 6.543 1.00 0.00 C ATOM 449 OD1 ASP A 30 4.152 7.355 6.937 1.00 0.00 O ATOM 450 OD2 ASP A 30 5.447 9.094 7.298 1.00 0.00 O ATOM 0 H ASP A 30 6.303 5.910 6.389 1.00 0.00 H new ATOM 0 HA ASP A 30 6.543 7.099 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.676 9.239 4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.482 8.001 4.469 1.00 0.00 H new ATOM 455 N VAL A 31 8.761 7.921 4.368 1.00 0.00 N ATOM 456 CA VAL A 31 10.080 8.436 4.715 1.00 0.00 C ATOM 457 C VAL A 31 10.425 9.659 3.869 1.00 0.00 C ATOM 458 O VAL A 31 11.347 9.624 3.053 1.00 0.00 O ATOM 459 CB VAL A 31 11.179 7.367 4.534 1.00 0.00 C ATOM 460 CG1 VAL A 31 11.640 6.842 5.885 1.00 0.00 C ATOM 461 CG2 VAL A 31 10.691 6.230 3.649 1.00 0.00 C ATOM 0 H VAL A 31 8.648 7.683 3.383 1.00 0.00 H new ATOM 0 HA VAL A 31 10.042 8.719 5.767 1.00 0.00 H new ATOM 0 HB VAL A 31 12.031 7.834 4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.415 6.089 5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.041 7.664 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.795 6.395 6.409 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.484 5.490 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.819 5.762 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.420 6.622 2.669 1.00 0.00 H new ATOM 471 N ARG A 32 9.673 10.739 4.070 1.00 0.00 N ATOM 472 CA ARG A 32 9.893 11.976 3.328 1.00 0.00 C ATOM 473 C ARG A 32 11.302 12.512 3.560 1.00 0.00 C ATOM 474 O ARG A 32 12.243 12.135 2.861 1.00 0.00 O ATOM 475 CB ARG A 32 8.855 13.027 3.733 1.00 0.00 C ATOM 476 CG ARG A 32 8.289 13.809 2.558 1.00 0.00 C ATOM 477 CD ARG A 32 7.848 15.203 2.974 1.00 0.00 C ATOM 478 NE ARG A 32 7.039 15.182 4.190 1.00 0.00 N ATOM 479 CZ ARG A 32 7.071 16.135 5.117 1.00 0.00 C ATOM 480 NH1 ARG A 32 7.871 17.182 4.969 1.00 0.00 N ATOM 481 NH2 ARG A 32 6.304 16.041 6.195 1.00 0.00 N ATOM 0 H ARG A 32 8.906 10.781 4.741 1.00 0.00 H new ATOM 0 HA ARG A 32 9.784 11.758 2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.037 12.534 4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.311 13.724 4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.042 13.884 1.774 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.441 13.269 2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.726 15.828 3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.276 15.658 2.166 1.00 0.00 H new ATOM 0 HE ARG A 32 6.413 14.390 4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.464 17.258 4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.893 17.911 5.682 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.688 15.237 6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.330 16.773 6.905 1.00 0.00 H new ATOM 631 N THR A 43 13.598 -0.136 5.134 1.00 0.00 N ATOM 632 CA THR A 43 12.691 -0.777 4.190 1.00 0.00 C ATOM 633 C THR A 43 13.104 -2.224 3.952 1.00 0.00 C ATOM 634 O THR A 43 12.259 -3.092 3.729 1.00 0.00 O ATOM 635 CB THR A 43 12.667 -0.013 2.864 1.00 0.00 C ATOM 636 OG1 THR A 43 11.804 -0.649 1.937 1.00 0.00 O ATOM 637 CG2 THR A 43 14.028 0.114 2.216 1.00 0.00 C ATOM 0 HA THR A 43 11.689 -0.765 4.618 1.00 0.00 H new ATOM 0 HB THR A 43 12.312 0.987 3.114 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.208 -0.626 1.045 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.936 0.666 1.281 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.702 0.647 2.887 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.428 -0.879 2.013 1.00 0.00 H new ATOM 645 N LYS A 44 14.409 -2.478 4.016 1.00 0.00 N ATOM 646 CA LYS A 44 14.937 -3.824 3.830 1.00 0.00 C ATOM 647 C LYS A 44 14.280 -4.795 4.806 1.00 0.00 C ATOM 648 O LYS A 44 13.970 -5.934 4.453 1.00 0.00 O ATOM 649 CB LYS A 44 16.454 -3.832 4.030 1.00 0.00 C ATOM 650 CG LYS A 44 17.154 -4.994 3.344 1.00 0.00 C ATOM 651 CD LYS A 44 17.282 -4.764 1.847 1.00 0.00 C ATOM 652 CE LYS A 44 18.725 -4.887 1.384 1.00 0.00 C ATOM 653 NZ LYS A 44 19.621 -3.935 2.098 1.00 0.00 N ATOM 0 H LYS A 44 15.119 -1.768 4.195 1.00 0.00 H new ATOM 0 HA LYS A 44 14.712 -4.143 2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.866 -2.896 3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.671 -3.868 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 44 18.145 -5.130 3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.597 -5.913 3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.665 -5.487 1.313 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.902 -3.774 1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.073 -5.907 1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.779 -4.701 0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.411 -3.668 1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 19.084 -3.084 2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.995 -4.387 2.957 1.00 0.00 H new ATOM 667 N ARG A 45 14.059 -4.329 6.032 1.00 0.00 N ATOM 668 CA ARG A 45 13.438 -5.145 7.066 1.00 0.00 C ATOM 669 C ARG A 45 11.970 -5.414 6.747 1.00 0.00 C ATOM 670 O ARG A 45 11.483 -6.531 6.923 1.00 0.00 O ATOM 671 CB ARG A 45 13.561 -4.451 8.420 1.00 0.00 C ATOM 672 CG ARG A 45 13.160 -5.327 9.597 1.00 0.00 C ATOM 673 CD ARG A 45 11.744 -5.029 10.073 1.00 0.00 C ATOM 674 NE ARG A 45 11.164 -3.869 9.398 1.00 0.00 N ATOM 675 CZ ARG A 45 10.762 -2.771 10.031 1.00 0.00 C ATOM 676 NH1 ARG A 45 10.873 -2.683 11.349 1.00 0.00 N ATOM 677 NH2 ARG A 45 10.247 -1.759 9.345 1.00 0.00 N ATOM 0 H ARG A 45 14.303 -3.385 6.333 1.00 0.00 H new ATOM 0 HA ARG A 45 13.957 -6.103 7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.591 -4.123 8.558 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.939 -3.556 8.417 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.233 -6.376 9.310 1.00 0.00 H new ATOM 0 HG3 ARG A 45 13.859 -5.172 10.419 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.113 -5.901 9.899 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.754 -4.853 11.149 1.00 0.00 H new ATOM 0 HE ARG A 45 11.062 -3.904 8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.268 -3.459 11.880 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.564 -1.839 11.832 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.159 -1.823 8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.939 -0.917 9.832 1.00 0.00 H new ATOM 691 N ALA A 46 11.270 -4.382 6.282 1.00 0.00 N ATOM 692 CA ALA A 46 9.855 -4.506 5.944 1.00 0.00 C ATOM 693 C ALA A 46 9.637 -5.573 4.876 1.00 0.00 C ATOM 694 O ALA A 46 8.660 -6.321 4.922 1.00 0.00 O ATOM 695 CB ALA A 46 9.304 -3.168 5.477 1.00 0.00 C ATOM 0 H ALA A 46 11.659 -3.451 6.131 1.00 0.00 H new ATOM 0 HA ALA A 46 9.318 -4.813 6.842 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.248 -3.276 5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.416 -2.431 6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.852 -2.837 4.595 1.00 0.00 H new ATOM 701 N LEU A 47 10.554 -5.635 3.917 1.00 0.00 N ATOM 702 CA LEU A 47 10.466 -6.608 2.832 1.00 0.00 C ATOM 703 C LEU A 47 10.588 -8.032 3.365 1.00 0.00 C ATOM 704 O LEU A 47 9.831 -8.920 2.970 1.00 0.00 O ATOM 705 CB LEU A 47 11.559 -6.345 1.796 1.00 0.00 C ATOM 706 CG LEU A 47 11.239 -5.278 0.741 1.00 0.00 C ATOM 707 CD1 LEU A 47 10.437 -4.128 1.336 1.00 0.00 C ATOM 708 CD2 LEU A 47 12.525 -4.759 0.114 1.00 0.00 C ATOM 0 H LEU A 47 11.368 -5.023 3.868 1.00 0.00 H new ATOM 0 HA LEU A 47 9.490 -6.500 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.467 -6.048 2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.779 -7.281 1.283 1.00 0.00 H new ATOM 0 HG LEU A 47 10.627 -5.743 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.228 -3.391 0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.498 -4.509 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.010 -3.660 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.286 -4.002 -0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.155 -4.319 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.056 -5.583 -0.362 1.00 0.00 H new ATOM 720 N GLN A 48 11.546 -8.243 4.262 1.00 0.00 N ATOM 721 CA GLN A 48 11.773 -9.560 4.845 1.00 0.00 C ATOM 722 C GLN A 48 10.779 -9.843 5.967 1.00 0.00 C ATOM 723 O GLN A 48 10.767 -10.934 6.537 1.00 0.00 O ATOM 724 CB GLN A 48 13.203 -9.661 5.380 1.00 0.00 C ATOM 725 CG GLN A 48 14.087 -10.603 4.579 1.00 0.00 C ATOM 726 CD GLN A 48 15.430 -9.991 4.233 1.00 0.00 C ATOM 727 OE1 GLN A 48 16.366 -10.027 5.033 1.00 0.00 O ATOM 728 NE2 GLN A 48 15.534 -9.428 3.035 1.00 0.00 N ATOM 0 H GLN A 48 12.178 -7.518 4.601 1.00 0.00 H new ATOM 0 HA GLN A 48 11.628 -10.304 4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.652 -8.668 5.382 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.172 -9.999 6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.245 -11.519 5.149 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.573 -10.884 3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.733 -9.421 2.404 1.00 0.00 H new ATOM 0 HE22 GLN A 48 16.415 -9.003 2.746 1.00 0.00 H new ATOM 737 N ASN A 49 9.949 -8.853 6.281 1.00 0.00 N ATOM 738 CA ASN A 49 8.957 -8.995 7.341 1.00 0.00 C ATOM 739 C ASN A 49 7.559 -8.660 6.833 1.00 0.00 C ATOM 740 O ASN A 49 6.926 -7.713 7.302 1.00 0.00 O ATOM 741 CB ASN A 49 9.315 -8.089 8.523 1.00 0.00 C ATOM 742 CG ASN A 49 9.291 -8.826 9.847 1.00 0.00 C ATOM 743 OD1 ASN A 49 8.661 -8.380 10.807 1.00 0.00 O ATOM 744 ND2 ASN A 49 9.980 -9.959 9.908 1.00 0.00 N ATOM 0 H ASN A 49 9.944 -7.945 5.817 1.00 0.00 H new ATOM 0 HA ASN A 49 8.961 -10.034 7.671 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.307 -7.665 8.365 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.615 -7.255 8.562 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.002 -10.497 10.774 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.488 -10.292 9.088 1.00 0.00 H new ATOM 751 N MET A 50 7.079 -9.444 5.873 1.00 0.00 N ATOM 752 CA MET A 50 5.750 -9.232 5.310 1.00 0.00 C ATOM 753 C MET A 50 4.783 -10.321 5.762 1.00 0.00 C ATOM 754 O MET A 50 5.193 -11.442 6.068 1.00 0.00 O ATOM 755 CB MET A 50 5.814 -9.179 3.783 1.00 0.00 C ATOM 756 CG MET A 50 6.836 -10.116 3.167 1.00 0.00 C ATOM 757 SD MET A 50 6.495 -11.855 3.502 1.00 0.00 S ATOM 758 CE MET A 50 8.092 -12.404 4.099 1.00 0.00 C ATOM 0 H MET A 50 7.589 -10.230 5.469 1.00 0.00 H new ATOM 0 HA MET A 50 5.380 -8.275 5.677 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.830 -9.420 3.381 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.043 -8.158 3.476 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.861 -9.958 2.089 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.826 -9.866 3.549 1.00 0.00 H new ATOM 0 HE1 MET A 50 8.231 -13.456 3.851 1.00 0.00 H new ATOM 0 HE2 MET A 50 8.879 -11.814 3.629 1.00 0.00 H new ATOM 0 HE3 MET A 50 8.140 -12.276 5.180 1.00 0.00 H new ATOM 768 N LYS A 51 3.501 -9.979 5.825 1.00 0.00 N ATOM 769 CA LYS A 51 2.476 -10.927 6.242 1.00 0.00 C ATOM 770 C LYS A 51 1.667 -11.411 5.039 1.00 0.00 C ATOM 771 O LYS A 51 1.701 -10.794 3.975 1.00 0.00 O ATOM 772 CB LYS A 51 1.554 -10.289 7.285 1.00 0.00 C ATOM 773 CG LYS A 51 2.293 -9.453 8.318 1.00 0.00 C ATOM 774 CD LYS A 51 2.156 -10.037 9.714 1.00 0.00 C ATOM 775 CE LYS A 51 3.513 -10.262 10.360 1.00 0.00 C ATOM 776 NZ LYS A 51 3.402 -10.489 11.828 1.00 0.00 N ATOM 0 H LYS A 51 3.147 -9.051 5.592 1.00 0.00 H new ATOM 0 HA LYS A 51 2.968 -11.789 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.823 -9.661 6.776 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.998 -11.075 7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.348 -9.393 8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.903 -8.435 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.564 -9.364 10.334 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.615 -10.982 9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.997 -11.121 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.151 -9.398 10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.350 -10.638 12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.963 -9.659 12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.815 -11.329 12.006 1.00 0.00 H new ATOM 790 N PRO A 52 0.944 -12.540 5.182 1.00 0.00 N ATOM 791 CA PRO A 52 0.154 -13.128 4.095 1.00 0.00 C ATOM 792 C PRO A 52 -0.717 -12.112 3.358 1.00 0.00 C ATOM 793 O PRO A 52 -0.503 -11.852 2.177 1.00 0.00 O ATOM 794 CB PRO A 52 -0.725 -14.176 4.800 1.00 0.00 C ATOM 795 CG PRO A 52 -0.503 -13.979 6.264 1.00 0.00 C ATOM 796 CD PRO A 52 0.854 -13.357 6.399 1.00 0.00 C ATOM 0 HA PRO A 52 0.803 -13.542 3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.776 -14.041 4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.449 -15.186 4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.271 -13.335 6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.551 -14.929 6.797 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.937 -12.752 7.302 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.643 -14.108 6.445 1.00 0.00 H new ATOM 804 N GLY A 53 -1.742 -11.601 4.036 1.00 0.00 N ATOM 805 CA GLY A 53 -2.656 -10.659 3.411 1.00 0.00 C ATOM 806 C GLY A 53 -2.440 -9.226 3.853 1.00 0.00 C ATOM 807 O GLY A 53 -3.357 -8.589 4.372 1.00 0.00 O ATOM 0 H GLY A 53 -1.956 -11.823 5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.543 -10.718 2.329 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.681 -10.952 3.641 1.00 0.00 H new ATOM 811 N GLU A 54 -1.236 -8.709 3.643 1.00 0.00 N ATOM 812 CA GLU A 54 -0.926 -7.333 4.029 1.00 0.00 C ATOM 813 C GLU A 54 -1.210 -6.354 2.893 1.00 0.00 C ATOM 814 O GLU A 54 -0.994 -6.662 1.721 1.00 0.00 O ATOM 815 CB GLU A 54 0.532 -7.204 4.467 1.00 0.00 C ATOM 816 CG GLU A 54 0.726 -7.342 5.967 1.00 0.00 C ATOM 817 CD GLU A 54 -0.079 -6.330 6.759 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.267 -5.199 6.263 1.00 0.00 O ATOM 819 OE2 GLU A 54 -0.522 -6.668 7.877 1.00 0.00 O ATOM 0 H GLU A 54 -0.462 -9.214 3.211 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.574 -7.083 4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.125 -7.965 3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.916 -6.236 4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.440 -8.348 6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.783 -7.224 6.204 1.00 0.00 H new ATOM 826 N ILE A 55 -1.697 -5.173 3.257 1.00 0.00 N ATOM 827 CA ILE A 55 -1.994 -4.120 2.291 1.00 0.00 C ATOM 828 C ILE A 55 -1.486 -2.776 2.804 1.00 0.00 C ATOM 829 O ILE A 55 -2.171 -2.106 3.571 1.00 0.00 O ATOM 830 CB ILE A 55 -3.508 -4.005 2.026 1.00 0.00 C ATOM 831 CG1 ILE A 55 -4.124 -5.391 1.823 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.770 -3.124 0.815 1.00 0.00 C ATOM 833 CD1 ILE A 55 -5.564 -5.484 2.276 1.00 0.00 C ATOM 0 H ILE A 55 -1.896 -4.919 4.224 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.492 -4.384 1.360 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.976 -3.544 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.066 -5.654 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.532 -6.126 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.844 -3.053 0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.365 -2.128 0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.289 -3.558 -0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.936 -6.494 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.627 -5.252 3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.169 -4.773 1.713 1.00 0.00 H new ATOM 845 N LEU A 56 -0.294 -2.374 2.376 1.00 0.00 N ATOM 846 CA LEU A 56 0.283 -1.120 2.845 1.00 0.00 C ATOM 847 C LEU A 56 0.521 -0.143 1.706 1.00 0.00 C ATOM 848 O LEU A 56 0.323 -0.466 0.535 1.00 0.00 O ATOM 849 CB LEU A 56 1.605 -1.371 3.572 1.00 0.00 C ATOM 850 CG LEU A 56 2.129 -2.801 3.491 1.00 0.00 C ATOM 851 CD1 LEU A 56 3.608 -2.814 3.135 1.00 0.00 C ATOM 852 CD2 LEU A 56 1.888 -3.517 4.806 1.00 0.00 C ATOM 0 H LEU A 56 0.285 -2.891 1.714 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.439 -0.680 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.360 -0.701 3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.480 -1.106 4.622 1.00 0.00 H new ATOM 0 HG LEU A 56 1.589 -3.326 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.961 -3.844 3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.754 -2.331 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.171 -2.276 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.265 -4.537 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.406 -2.990 5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.819 -3.539 5.018 1.00 0.00 H new ATOM 864 N GLU A 57 0.951 1.059 2.071 1.00 0.00 N ATOM 865 CA GLU A 57 1.246 2.100 1.100 1.00 0.00 C ATOM 866 C GLU A 57 2.526 2.835 1.484 1.00 0.00 C ATOM 867 O GLU A 57 2.779 3.088 2.662 1.00 0.00 O ATOM 868 CB GLU A 57 0.075 3.084 0.993 1.00 0.00 C ATOM 869 CG GLU A 57 0.039 4.129 2.097 1.00 0.00 C ATOM 870 CD GLU A 57 -1.340 4.731 2.285 1.00 0.00 C ATOM 871 OE1 GLU A 57 -2.301 3.959 2.493 1.00 0.00 O ATOM 872 OE2 GLU A 57 -1.459 5.972 2.226 1.00 0.00 O ATOM 0 H GLU A 57 1.103 1.336 3.041 1.00 0.00 H new ATOM 0 HA GLU A 57 1.392 1.633 0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.127 3.591 0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.859 2.523 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.364 3.675 3.033 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.749 4.922 1.865 1.00 0.00 H new ATOM 879 N VAL A 58 3.333 3.169 0.487 1.00 0.00 N ATOM 880 CA VAL A 58 4.591 3.859 0.724 1.00 0.00 C ATOM 881 C VAL A 58 4.563 5.262 0.134 1.00 0.00 C ATOM 882 O VAL A 58 4.125 5.464 -0.999 1.00 0.00 O ATOM 883 CB VAL A 58 5.781 3.086 0.124 1.00 0.00 C ATOM 884 CG1 VAL A 58 7.088 3.542 0.757 1.00 0.00 C ATOM 885 CG2 VAL A 58 5.590 1.587 0.302 1.00 0.00 C ATOM 0 H VAL A 58 3.138 2.973 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 58 4.719 3.922 1.805 1.00 0.00 H new ATOM 0 HB VAL A 58 5.826 3.299 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.917 2.985 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.229 4.607 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.055 3.361 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.441 1.058 -0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.517 1.353 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.676 1.274 -0.202 1.00 0.00 H new ATOM 895 N TRP A 59 5.052 6.225 0.905 1.00 0.00 N ATOM 896 CA TRP A 59 5.078 7.617 0.468 1.00 0.00 C ATOM 897 C TRP A 59 6.503 8.157 0.475 1.00 0.00 C ATOM 898 O TRP A 59 7.092 8.373 1.536 1.00 0.00 O ATOM 899 CB TRP A 59 4.191 8.473 1.378 1.00 0.00 C ATOM 900 CG TRP A 59 3.393 9.511 0.645 1.00 0.00 C ATOM 901 CD1 TRP A 59 3.527 9.884 -0.662 1.00 0.00 C ATOM 902 CD2 TRP A 59 2.336 10.314 1.184 1.00 0.00 C ATOM 903 NE1 TRP A 59 2.617 10.868 -0.969 1.00 0.00 N ATOM 904 CE2 TRP A 59 1.875 11.149 0.148 1.00 0.00 C ATOM 905 CE3 TRP A 59 1.734 10.409 2.442 1.00 0.00 C ATOM 906 CZ2 TRP A 59 0.842 12.064 0.333 1.00 0.00 C ATOM 907 CZ3 TRP A 59 0.708 11.318 2.624 1.00 0.00 C ATOM 908 CH2 TRP A 59 0.270 12.134 1.575 1.00 0.00 C ATOM 0 H TRP A 59 5.436 6.069 1.837 1.00 0.00 H new ATOM 0 HA TRP A 59 4.694 7.663 -0.551 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.508 7.820 1.922 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.818 8.967 2.120 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.244 9.467 -1.354 1.00 0.00 H new ATOM 0 HE1 TRP A 59 2.512 11.316 -1.879 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.065 9.783 3.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.504 12.696 -0.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.237 11.400 3.592 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.535 12.833 1.748 1.00 0.00 H new ATOM 919 N ILE A 60 7.065 8.349 -0.718 1.00 0.00 N ATOM 920 CA ILE A 60 8.432 8.846 -0.850 1.00 0.00 C ATOM 921 C ILE A 60 8.659 9.482 -2.219 1.00 0.00 C ATOM 922 O ILE A 60 7.706 9.799 -2.932 1.00 0.00 O ATOM 923 CB ILE A 60 9.476 7.726 -0.645 1.00 0.00 C ATOM 924 CG1 ILE A 60 8.814 6.345 -0.678 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.218 7.929 0.667 1.00 0.00 C ATOM 926 CD1 ILE A 60 8.373 5.915 -2.061 1.00 0.00 C ATOM 0 H ILE A 60 6.595 8.168 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 60 8.561 9.597 -0.070 1.00 0.00 H new ATOM 0 HB ILE A 60 10.193 7.776 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.513 5.607 -0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.948 6.351 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.950 7.132 0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.728 8.892 0.651 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.508 7.908 1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.913 4.928 -2.006 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.650 6.631 -2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.238 5.876 -2.723 1.00 0.00 H new ATOM 938 N ASP A 61 9.927 9.662 -2.578 1.00 0.00 N ATOM 939 CA ASP A 61 10.285 10.257 -3.860 1.00 0.00 C ATOM 940 C ASP A 61 10.998 9.243 -4.750 1.00 0.00 C ATOM 941 O ASP A 61 11.288 9.521 -5.914 1.00 0.00 O ATOM 942 CB ASP A 61 11.177 11.480 -3.647 1.00 0.00 C ATOM 943 CG ASP A 61 10.471 12.587 -2.889 1.00 0.00 C ATOM 944 OD1 ASP A 61 10.040 12.341 -1.743 1.00 0.00 O ATOM 945 OD2 ASP A 61 10.350 13.701 -3.441 1.00 0.00 O ATOM 0 H ASP A 61 10.725 9.403 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 61 9.366 10.568 -4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.072 11.183 -3.100 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.506 11.859 -4.615 1.00 0.00 H new ATOM 950 N TYR A 62 11.280 8.068 -4.194 1.00 0.00 N ATOM 951 CA TYR A 62 11.953 7.008 -4.939 1.00 0.00 C ATOM 952 C TYR A 62 11.147 5.712 -4.886 1.00 0.00 C ATOM 953 O TYR A 62 10.698 5.298 -3.818 1.00 0.00 O ATOM 954 CB TYR A 62 13.358 6.774 -4.381 1.00 0.00 C ATOM 955 CG TYR A 62 14.429 7.586 -5.074 1.00 0.00 C ATOM 956 CD1 TYR A 62 14.735 7.372 -6.411 1.00 0.00 C ATOM 957 CD2 TYR A 62 15.135 8.567 -4.388 1.00 0.00 C ATOM 958 CE1 TYR A 62 15.713 8.114 -7.048 1.00 0.00 C ATOM 959 CE2 TYR A 62 16.114 9.313 -5.016 1.00 0.00 C ATOM 960 CZ TYR A 62 16.399 9.082 -6.346 1.00 0.00 C ATOM 961 OH TYR A 62 17.373 9.824 -6.975 1.00 0.00 O ATOM 0 H TYR A 62 11.053 7.826 -3.230 1.00 0.00 H new ATOM 0 HA TYR A 62 12.033 7.323 -5.979 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.362 7.015 -3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 62 13.603 5.715 -4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 62 14.200 6.613 -6.963 1.00 0.00 H new ATOM 0 HD2 TYR A 62 14.915 8.749 -3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.938 7.936 -8.089 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.653 10.072 -4.469 1.00 0.00 H new ATOM 0 HH TYR A 62 17.758 10.463 -6.340 1.00 0.00 H new ATOM 971 N PRO A 63 10.947 5.054 -6.044 1.00 0.00 N ATOM 972 CA PRO A 63 10.168 3.811 -6.124 1.00 0.00 C ATOM 973 C PRO A 63 10.731 2.703 -5.239 1.00 0.00 C ATOM 974 O PRO A 63 11.582 1.925 -5.670 1.00 0.00 O ATOM 975 CB PRO A 63 10.266 3.416 -7.601 1.00 0.00 C ATOM 976 CG PRO A 63 10.595 4.679 -8.316 1.00 0.00 C ATOM 977 CD PRO A 63 11.437 5.481 -7.367 1.00 0.00 C ATOM 0 HA PRO A 63 9.146 3.957 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.037 2.661 -7.758 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.328 2.992 -7.959 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.135 4.475 -9.241 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.689 5.221 -8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.499 5.268 -7.492 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.306 6.552 -7.519 1.00 0.00 H new ATOM 985 N MET A 64 10.244 2.633 -4.005 1.00 0.00 N ATOM 986 CA MET A 64 10.678 1.602 -3.068 1.00 0.00 C ATOM 987 C MET A 64 10.185 0.230 -3.519 1.00 0.00 C ATOM 988 O MET A 64 10.788 -0.799 -3.202 1.00 0.00 O ATOM 989 CB MET A 64 10.157 1.912 -1.663 1.00 0.00 C ATOM 990 CG MET A 64 10.678 0.962 -0.596 1.00 0.00 C ATOM 991 SD MET A 64 9.452 -0.265 -0.101 1.00 0.00 S ATOM 992 CE MET A 64 8.841 0.464 1.417 1.00 0.00 C ATOM 0 H MET A 64 9.548 3.278 -3.630 1.00 0.00 H new ATOM 0 HA MET A 64 11.768 1.591 -3.046 1.00 0.00 H new ATOM 0 HB2 MET A 64 10.437 2.931 -1.398 1.00 0.00 H new ATOM 0 HB3 MET A 64 9.068 1.873 -1.672 1.00 0.00 H new ATOM 0 HG2 MET A 64 11.566 0.452 -0.971 1.00 0.00 H new ATOM 0 HG3 MET A 64 10.985 1.536 0.278 1.00 0.00 H new ATOM 0 HE1 MET A 64 9.188 -0.123 2.268 1.00 0.00 H new ATOM 0 HE2 MET A 64 9.212 1.485 1.505 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.751 0.474 1.403 1.00 0.00 H new ATOM 1002 N SER A 65 9.089 0.226 -4.268 1.00 0.00 N ATOM 1003 CA SER A 65 8.511 -1.013 -4.770 1.00 0.00 C ATOM 1004 C SER A 65 9.467 -1.710 -5.732 1.00 0.00 C ATOM 1005 O SER A 65 9.284 -2.882 -6.059 1.00 0.00 O ATOM 1006 CB SER A 65 7.177 -0.731 -5.466 1.00 0.00 C ATOM 1007 OG SER A 65 6.237 -0.177 -4.562 1.00 0.00 O ATOM 0 H SER A 65 8.583 1.068 -4.541 1.00 0.00 H new ATOM 0 HA SER A 65 8.336 -1.675 -3.922 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.335 -0.044 -6.297 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.780 -1.655 -5.887 1.00 0.00 H new ATOM 0 HG SER A 65 6.082 0.764 -4.787 1.00 0.00 H new ATOM 1013 N LYS A 66 10.492 -0.985 -6.176 1.00 0.00 N ATOM 1014 CA LYS A 66 11.479 -1.540 -7.096 1.00 0.00 C ATOM 1015 C LYS A 66 12.138 -2.779 -6.498 1.00 0.00 C ATOM 1016 O LYS A 66 12.481 -3.717 -7.216 1.00 0.00 O ATOM 1017 CB LYS A 66 12.539 -0.490 -7.442 1.00 0.00 C ATOM 1018 CG LYS A 66 13.584 -0.285 -6.355 1.00 0.00 C ATOM 1019 CD LYS A 66 14.866 0.306 -6.919 1.00 0.00 C ATOM 1020 CE LYS A 66 15.387 1.440 -6.050 1.00 0.00 C ATOM 1021 NZ LYS A 66 15.957 0.942 -4.768 1.00 0.00 N ATOM 0 H LYS A 66 10.659 -0.014 -5.913 1.00 0.00 H new ATOM 0 HA LYS A 66 10.965 -1.832 -8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.041 -0.785 -8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.043 0.461 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.185 0.376 -5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.802 -1.239 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.624 -0.473 -6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.685 0.674 -7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.151 1.994 -6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.576 2.138 -5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.301 1.746 -4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 15.222 0.435 -4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.747 0.296 -4.967 1.00 0.00 H new ATOM 1035 N GLU A 67 12.307 -2.773 -5.179 1.00 0.00 N ATOM 1036 CA GLU A 67 12.892 -3.908 -4.476 1.00 0.00 C ATOM 1037 C GLU A 67 11.793 -4.828 -3.961 1.00 0.00 C ATOM 1038 O GLU A 67 11.988 -6.039 -3.817 1.00 0.00 O ATOM 1039 CB GLU A 67 13.762 -3.424 -3.314 1.00 0.00 C ATOM 1040 CG GLU A 67 15.249 -3.654 -3.531 1.00 0.00 C ATOM 1041 CD GLU A 67 15.900 -4.398 -2.381 1.00 0.00 C ATOM 1042 OE1 GLU A 67 15.914 -5.646 -2.415 1.00 0.00 O ATOM 1043 OE2 GLU A 67 16.398 -3.733 -1.449 1.00 0.00 O ATOM 0 H GLU A 67 12.046 -1.993 -4.576 1.00 0.00 H new ATOM 0 HA GLU A 67 13.520 -4.464 -5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.586 -2.360 -3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.453 -3.935 -2.402 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.395 -4.218 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.746 -2.693 -3.664 1.00 0.00 H new ATOM 1050 N ARG A 68 10.624 -4.246 -3.714 1.00 0.00 N ATOM 1051 CA ARG A 68 9.482 -5.010 -3.236 1.00 0.00 C ATOM 1052 C ARG A 68 9.077 -6.077 -4.249 1.00 0.00 C ATOM 1053 O ARG A 68 8.648 -7.166 -3.872 1.00 0.00 O ATOM 1054 CB ARG A 68 8.300 -4.079 -2.954 1.00 0.00 C ATOM 1055 CG ARG A 68 8.406 -3.352 -1.623 1.00 0.00 C ATOM 1056 CD ARG A 68 7.043 -3.187 -0.967 1.00 0.00 C ATOM 1057 NE ARG A 68 7.052 -3.620 0.428 1.00 0.00 N ATOM 1058 CZ ARG A 68 6.700 -2.838 1.444 1.00 0.00 C ATOM 1059 NH1 ARG A 68 6.313 -1.589 1.223 1.00 0.00 N ATOM 1060 NH2 ARG A 68 6.735 -3.306 2.685 1.00 0.00 N ATOM 0 H ARG A 68 10.445 -3.249 -3.837 1.00 0.00 H new ATOM 0 HA ARG A 68 9.771 -5.507 -2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.227 -3.344 -3.756 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.378 -4.660 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.067 -3.906 -0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.858 -2.372 -1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.739 -2.142 -1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.302 -3.763 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 68 7.345 -4.575 0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.285 -1.225 0.271 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.044 -0.993 2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.032 -4.266 2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.465 -2.706 3.464 1.00 0.00 H new ATOM 1074 N ILE A 69 9.230 -5.765 -5.537 1.00 0.00 N ATOM 1075 CA ILE A 69 8.875 -6.707 -6.595 1.00 0.00 C ATOM 1076 C ILE A 69 9.746 -7.968 -6.535 1.00 0.00 C ATOM 1077 O ILE A 69 9.220 -9.073 -6.421 1.00 0.00 O ATOM 1078 CB ILE A 69 8.975 -6.072 -7.998 1.00 0.00 C ATOM 1079 CG1 ILE A 69 8.130 -4.799 -8.068 1.00 0.00 C ATOM 1080 CG2 ILE A 69 8.534 -7.062 -9.065 1.00 0.00 C ATOM 1081 CD1 ILE A 69 8.695 -3.752 -9.002 1.00 0.00 C ATOM 0 H ILE A 69 9.595 -4.873 -5.869 1.00 0.00 H new ATOM 0 HA ILE A 69 7.835 -6.985 -6.422 1.00 0.00 H new ATOM 0 HB ILE A 69 10.016 -5.808 -8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.122 -5.058 -8.392 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.043 -4.374 -7.068 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.611 -6.596 -10.048 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.174 -7.944 -9.030 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.500 -7.356 -8.883 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.046 -2.877 -9.003 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.691 -3.464 -8.666 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.756 -4.159 -10.011 1.00 0.00 H new ATOM 1093 N PRO A 70 11.093 -7.830 -6.597 1.00 0.00 N ATOM 1094 CA PRO A 70 12.003 -8.980 -6.536 1.00 0.00 C ATOM 1095 C PRO A 70 11.659 -9.933 -5.395 1.00 0.00 C ATOM 1096 O PRO A 70 11.841 -11.145 -5.508 1.00 0.00 O ATOM 1097 CB PRO A 70 13.370 -8.338 -6.304 1.00 0.00 C ATOM 1098 CG PRO A 70 13.260 -6.992 -6.928 1.00 0.00 C ATOM 1099 CD PRO A 70 11.832 -6.557 -6.734 1.00 0.00 C ATOM 0 HA PRO A 70 11.951 -9.589 -7.438 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.599 -8.265 -5.241 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.167 -8.924 -6.762 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.949 -6.288 -6.460 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.515 -7.031 -7.987 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.721 -5.932 -5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.472 -5.974 -7.582 1.00 0.00 H new ATOM 1107 N GLU A 71 11.145 -9.379 -4.302 1.00 0.00 N ATOM 1108 CA GLU A 71 10.761 -10.189 -3.150 1.00 0.00 C ATOM 1109 C GLU A 71 9.512 -11.015 -3.453 1.00 0.00 C ATOM 1110 O GLU A 71 9.527 -12.247 -3.369 1.00 0.00 O ATOM 1111 CB GLU A 71 10.507 -9.293 -1.936 1.00 0.00 C ATOM 1112 CG GLU A 71 11.573 -9.407 -0.859 1.00 0.00 C ATOM 1113 CD GLU A 71 11.337 -10.576 0.078 1.00 0.00 C ATOM 1114 OE1 GLU A 71 10.220 -11.136 0.062 1.00 0.00 O ATOM 1115 OE2 GLU A 71 12.269 -10.931 0.831 1.00 0.00 O ATOM 0 H GLU A 71 10.985 -8.378 -4.189 1.00 0.00 H new ATOM 0 HA GLU A 71 11.581 -10.872 -2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.447 -8.256 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.539 -9.547 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.550 -9.516 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.600 -8.483 -0.281 1.00 0.00 H new ATOM 1122 N THR A 72 8.431 -10.327 -3.809 1.00 0.00 N ATOM 1123 CA THR A 72 7.166 -10.988 -4.104 1.00 0.00 C ATOM 1124 C THR A 72 7.305 -11.974 -5.259 1.00 0.00 C ATOM 1125 O THR A 72 6.582 -12.965 -5.320 1.00 0.00 O ATOM 1126 CB THR A 72 6.085 -9.959 -4.437 1.00 0.00 C ATOM 1127 OG1 THR A 72 6.581 -8.641 -4.288 1.00 0.00 O ATOM 1128 CG2 THR A 72 4.853 -10.088 -3.569 1.00 0.00 C ATOM 0 H THR A 72 8.407 -9.311 -3.900 1.00 0.00 H new ATOM 0 HA THR A 72 6.875 -11.542 -3.212 1.00 0.00 H new ATOM 0 HB THR A 72 5.805 -10.158 -5.471 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.424 -8.334 -3.371 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.125 -9.329 -3.856 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.417 -11.078 -3.701 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.128 -9.949 -2.523 1.00 0.00 H new ATOM 1136 N VAL A 73 8.219 -11.695 -6.183 1.00 0.00 N ATOM 1137 CA VAL A 73 8.417 -12.573 -7.330 1.00 0.00 C ATOM 1138 C VAL A 73 9.110 -13.861 -6.912 1.00 0.00 C ATOM 1139 O VAL A 73 8.883 -14.917 -7.503 1.00 0.00 O ATOM 1140 CB VAL A 73 9.213 -11.889 -8.460 1.00 0.00 C ATOM 1141 CG1 VAL A 73 10.691 -11.800 -8.114 1.00 0.00 C ATOM 1142 CG2 VAL A 73 9.011 -12.632 -9.773 1.00 0.00 C ATOM 0 H VAL A 73 8.828 -10.877 -6.161 1.00 0.00 H new ATOM 0 HA VAL A 73 7.427 -12.809 -7.720 1.00 0.00 H new ATOM 0 HB VAL A 73 8.837 -10.872 -8.574 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.227 -11.313 -8.929 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.816 -11.220 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.091 -12.803 -7.965 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.579 -12.138 -10.562 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.357 -13.660 -9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.952 -12.631 -10.033 1.00 0.00 H new ATOM 1152 N LYS A 74 9.936 -13.776 -5.872 1.00 0.00 N ATOM 1153 CA LYS A 74 10.601 -14.956 -5.344 1.00 0.00 C ATOM 1154 C LYS A 74 9.547 -15.967 -4.919 1.00 0.00 C ATOM 1155 O LYS A 74 9.663 -17.162 -5.194 1.00 0.00 O ATOM 1156 CB LYS A 74 11.494 -14.589 -4.159 1.00 0.00 C ATOM 1157 CG LYS A 74 12.376 -15.733 -3.683 1.00 0.00 C ATOM 1158 CD LYS A 74 13.605 -15.894 -4.563 1.00 0.00 C ATOM 1159 CE LYS A 74 14.886 -15.849 -3.746 1.00 0.00 C ATOM 1160 NZ LYS A 74 15.733 -17.053 -3.972 1.00 0.00 N ATOM 0 H LYS A 74 10.157 -12.908 -5.384 1.00 0.00 H new ATOM 0 HA LYS A 74 11.235 -15.389 -6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.126 -13.746 -4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.867 -14.256 -3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.686 -15.551 -2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.803 -16.660 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.548 -16.841 -5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.623 -15.103 -5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.451 -14.954 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.639 -15.773 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.596 -16.983 -3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.204 -17.906 -3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.991 -17.112 -4.978 1.00 0.00 H new ATOM 1174 N LYS A 75 8.490 -15.460 -4.292 1.00 0.00 N ATOM 1175 CA LYS A 75 7.368 -16.293 -3.881 1.00 0.00 C ATOM 1176 C LYS A 75 6.314 -16.352 -4.986 1.00 0.00 C ATOM 1177 O LYS A 75 6.215 -17.339 -5.713 1.00 0.00 O ATOM 1178 CB LYS A 75 6.745 -15.753 -2.590 1.00 0.00 C ATOM 1179 CG LYS A 75 7.732 -15.632 -1.442 1.00 0.00 C ATOM 1180 CD LYS A 75 8.178 -14.193 -1.237 1.00 0.00 C ATOM 1181 CE LYS A 75 7.089 -13.358 -0.581 1.00 0.00 C ATOM 1182 NZ LYS A 75 7.420 -11.906 -0.590 1.00 0.00 N ATOM 0 H LYS A 75 8.388 -14.473 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 75 7.739 -17.301 -3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.310 -14.774 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.929 -16.409 -2.288 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.274 -16.005 -0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.602 -16.258 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.075 -14.174 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.445 -13.754 -2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.145 -13.518 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.946 -13.691 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.496 -11.561 0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.325 -11.759 -1.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.670 -11.382 -1.084 1.00 0.00 H new ATOM 1196 N LEU A 76 5.514 -15.293 -5.084 1.00 0.00 N ATOM 1197 CA LEU A 76 4.480 -15.193 -6.112 1.00 0.00 C ATOM 1198 C LEU A 76 4.966 -14.349 -7.288 1.00 0.00 C ATOM 1199 O LEU A 76 5.674 -14.838 -8.168 1.00 0.00 O ATOM 1200 CB LEU A 76 3.196 -14.591 -5.529 1.00 0.00 C ATOM 1201 CG LEU A 76 3.397 -13.638 -4.349 1.00 0.00 C ATOM 1202 CD1 LEU A 76 2.487 -12.428 -4.482 1.00 0.00 C ATOM 1203 CD2 LEU A 76 3.145 -14.358 -3.033 1.00 0.00 C ATOM 0 H LEU A 76 5.562 -14.487 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 76 4.264 -16.199 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.673 -14.056 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.545 -15.405 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 76 4.431 -13.292 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.643 -11.761 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.717 -11.900 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.447 -12.755 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.293 -13.665 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.122 -14.734 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.840 -15.192 -2.936 1.00 0.00 H new ATOM 1215 N GLY A 77 4.580 -13.073 -7.289 1.00 0.00 N ATOM 1216 CA GLY A 77 4.988 -12.166 -8.345 1.00 0.00 C ATOM 1217 C GLY A 77 5.217 -10.758 -7.832 1.00 0.00 C ATOM 1218 O GLY A 77 6.353 -10.360 -7.576 1.00 0.00 O ATOM 0 H GLY A 77 3.989 -12.652 -6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.903 -12.536 -8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.224 -12.148 -9.122 1.00 0.00 H new ATOM 1222 N HIS A 78 4.136 -9.994 -7.699 1.00 0.00 N ATOM 1223 CA HIS A 78 4.227 -8.624 -7.203 1.00 0.00 C ATOM 1224 C HIS A 78 2.996 -8.250 -6.385 1.00 0.00 C ATOM 1225 O HIS A 78 1.933 -8.852 -6.533 1.00 0.00 O ATOM 1226 CB HIS A 78 4.397 -7.643 -8.368 1.00 0.00 C ATOM 1227 CG HIS A 78 3.985 -8.205 -9.695 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.750 -8.780 -9.877 1.00 0.00 N ATOM 1229 CD2 HIS A 78 4.677 -8.259 -10.860 1.00 0.00 C ATOM 1230 CE1 HIS A 78 2.715 -9.168 -11.140 1.00 0.00 C ATOM 1231 NE2 HIS A 78 3.860 -8.873 -11.773 1.00 0.00 N ATOM 0 H HIS A 78 3.190 -10.299 -7.927 1.00 0.00 H new ATOM 0 HA HIS A 78 5.101 -8.563 -6.554 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.810 -6.747 -8.165 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.441 -7.335 -8.422 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.677 -7.890 -11.034 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.872 -9.660 -11.603 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.081 -9.069 -12.749 1.00 0.00 H new ATOM 1239 N GLU A 79 3.147 -7.245 -5.527 1.00 0.00 N ATOM 1240 CA GLU A 79 2.055 -6.761 -4.708 1.00 0.00 C ATOM 1241 C GLU A 79 1.548 -5.439 -5.271 1.00 0.00 C ATOM 1242 O GLU A 79 1.662 -4.395 -4.635 1.00 0.00 O ATOM 1243 CB GLU A 79 2.529 -6.584 -3.263 1.00 0.00 C ATOM 1244 CG GLU A 79 4.022 -6.800 -3.071 1.00 0.00 C ATOM 1245 CD GLU A 79 4.385 -7.151 -1.642 1.00 0.00 C ATOM 1246 OE1 GLU A 79 4.011 -8.253 -1.188 1.00 0.00 O ATOM 1247 OE2 GLU A 79 5.048 -6.328 -0.979 1.00 0.00 O ATOM 0 H GLU A 79 4.027 -6.750 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 79 1.240 -7.485 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.272 -5.579 -2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.986 -7.282 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.357 -7.599 -3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.556 -5.897 -3.365 1.00 0.00 H new ATOM 1254 N VAL A 80 1.024 -5.487 -6.490 1.00 0.00 N ATOM 1255 CA VAL A 80 0.564 -4.283 -7.171 1.00 0.00 C ATOM 1256 C VAL A 80 -0.944 -4.112 -7.060 1.00 0.00 C ATOM 1257 O VAL A 80 -1.712 -4.968 -7.496 1.00 0.00 O ATOM 1258 CB VAL A 80 0.954 -4.287 -8.664 1.00 0.00 C ATOM 1259 CG1 VAL A 80 1.824 -3.082 -8.986 1.00 0.00 C ATOM 1260 CG2 VAL A 80 1.659 -5.582 -9.047 1.00 0.00 C ATOM 0 H VAL A 80 0.907 -6.346 -7.027 1.00 0.00 H new ATOM 0 HA VAL A 80 1.057 -3.448 -6.673 1.00 0.00 H new ATOM 0 HB VAL A 80 0.040 -4.223 -9.254 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.091 -3.098 -10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.275 -2.167 -8.765 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.731 -3.116 -8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.921 -5.555 -10.105 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.565 -5.693 -8.451 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.996 -6.427 -8.859 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.357 -2.981 -6.496 1.00 0.00 N ATOM 1271 CA LEU A 81 -2.774 -2.676 -6.346 1.00 0.00 C ATOM 1272 C LEU A 81 -3.061 -1.209 -6.637 1.00 0.00 C ATOM 1273 O LEU A 81 -4.128 -0.875 -7.152 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.270 -3.043 -4.943 1.00 0.00 C ATOM 1275 CG LEU A 81 -2.680 -2.216 -3.798 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -3.402 -2.505 -2.494 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -1.204 -2.504 -3.648 1.00 0.00 C ATOM 0 H LEU A 81 -0.730 -2.262 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.314 -3.280 -7.075 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.355 -2.939 -4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.047 -4.094 -4.761 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.812 -1.161 -4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.965 -1.906 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.458 -2.255 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.303 -3.563 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.798 -1.909 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.060 -3.563 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.688 -2.249 -4.573 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.110 -0.328 -6.327 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.317 1.101 -6.572 1.00 0.00 C ATOM 1291 C GLU A 82 -1.015 1.838 -6.869 1.00 0.00 C ATOM 1292 O GLU A 82 -0.026 1.688 -6.155 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.020 1.747 -5.379 1.00 0.00 C ATOM 1294 CG GLU A 82 -4.231 2.572 -5.755 1.00 0.00 C ATOM 1295 CD GLU A 82 -5.093 1.911 -6.814 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -5.944 1.073 -6.449 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -4.916 2.231 -8.009 1.00 0.00 O ATOM 0 H GLU A 82 -1.209 -0.569 -5.915 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.946 1.183 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.326 0.966 -4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.309 2.383 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.833 2.751 -4.864 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.902 3.546 -6.118 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.038 2.654 -7.922 1.00 0.00 N ATOM 1305 CA ILE A 83 0.118 3.460 -8.316 1.00 0.00 C ATOM 1306 C ILE A 83 -0.316 4.891 -8.633 1.00 0.00 C ATOM 1307 O ILE A 83 -1.215 5.102 -9.447 1.00 0.00 O ATOM 1308 CB ILE A 83 0.834 2.880 -9.554 1.00 0.00 C ATOM 1309 CG1 ILE A 83 0.622 1.364 -9.651 1.00 0.00 C ATOM 1310 CG2 ILE A 83 2.319 3.220 -9.517 1.00 0.00 C ATOM 1311 CD1 ILE A 83 1.382 0.567 -8.611 1.00 0.00 C ATOM 0 H ILE A 83 -1.853 2.775 -8.523 1.00 0.00 H new ATOM 0 HA ILE A 83 0.811 3.449 -7.475 1.00 0.00 H new ATOM 0 HB ILE A 83 0.400 3.334 -10.444 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.442 1.149 -9.552 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.924 1.028 -10.643 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.810 2.804 -10.397 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.444 4.303 -9.510 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.767 2.797 -8.618 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.179 -0.495 -8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.451 0.749 -8.722 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.064 0.873 -7.614 1.00 0.00 H new ATOM 1323 N GLU A 84 0.317 5.872 -7.992 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.033 7.271 -8.223 1.00 0.00 C ATOM 1325 C GLU A 84 1.106 8.205 -7.832 1.00 0.00 C ATOM 1326 O GLU A 84 2.136 7.770 -7.317 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.295 7.634 -7.438 1.00 0.00 C ATOM 1328 CG GLU A 84 -1.278 7.151 -5.997 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.320 7.842 -5.138 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -3.495 7.422 -5.177 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -1.959 8.803 -4.427 1.00 0.00 O ATOM 0 H GLU A 84 1.067 5.726 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.219 7.395 -9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.419 8.717 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.162 7.209 -7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.451 6.075 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.289 7.323 -5.572 1.00 0.00 H new ATOM 1338 N GLU A 85 0.909 9.496 -8.086 1.00 0.00 N ATOM 1339 CA GLU A 85 1.907 10.507 -7.759 1.00 0.00 C ATOM 1340 C GLU A 85 1.256 11.710 -7.083 1.00 0.00 C ATOM 1341 O GLU A 85 0.037 11.753 -6.915 1.00 0.00 O ATOM 1342 CB GLU A 85 2.648 10.953 -9.023 1.00 0.00 C ATOM 1343 CG GLU A 85 1.748 11.615 -10.055 1.00 0.00 C ATOM 1344 CD GLU A 85 2.132 11.259 -11.478 1.00 0.00 C ATOM 1345 OE1 GLU A 85 3.343 11.258 -11.784 1.00 0.00 O ATOM 1346 OE2 GLU A 85 1.221 10.983 -12.287 1.00 0.00 O ATOM 0 H GLU A 85 0.063 9.866 -8.519 1.00 0.00 H new ATOM 0 HA GLU A 85 2.624 10.066 -7.066 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.439 11.649 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.130 10.087 -9.476 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.715 11.316 -9.876 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.793 12.697 -9.930 1.00 0.00 H new ATOM 1353 N VAL A 86 2.074 12.686 -6.699 1.00 0.00 N ATOM 1354 CA VAL A 86 1.571 13.886 -6.040 1.00 0.00 C ATOM 1355 C VAL A 86 2.274 15.140 -6.559 1.00 0.00 C ATOM 1356 O VAL A 86 1.633 16.157 -6.818 1.00 0.00 O ATOM 1357 CB VAL A 86 1.735 13.800 -4.508 1.00 0.00 C ATOM 1358 CG1 VAL A 86 3.188 13.552 -4.133 1.00 0.00 C ATOM 1359 CG2 VAL A 86 1.210 15.063 -3.840 1.00 0.00 C ATOM 0 H VAL A 86 3.085 12.669 -6.833 1.00 0.00 H new ATOM 0 HA VAL A 86 0.509 13.954 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 86 1.146 12.956 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.279 13.495 -3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.523 12.614 -4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.805 14.369 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.335 14.982 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.766 15.926 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.153 15.186 -4.075 1.00 0.00 H new ATOM 1369 N GLY A 87 3.593 15.058 -6.715 1.00 0.00 N ATOM 1370 CA GLY A 87 4.354 16.197 -7.197 1.00 0.00 C ATOM 1371 C GLY A 87 5.343 15.823 -8.286 1.00 0.00 C ATOM 1372 O GLY A 87 5.088 14.905 -9.066 1.00 0.00 O ATOM 0 H GLY A 87 4.147 14.225 -6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.667 16.952 -7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.892 16.649 -6.363 1.00 0.00 H new ATOM 1376 N PRO A 88 6.489 16.524 -8.368 1.00 0.00 N ATOM 1377 CA PRO A 88 7.512 16.252 -9.386 1.00 0.00 C ATOM 1378 C PRO A 88 8.146 14.873 -9.218 1.00 0.00 C ATOM 1379 O PRO A 88 7.817 13.938 -9.950 1.00 0.00 O ATOM 1380 CB PRO A 88 8.552 17.355 -9.161 1.00 0.00 C ATOM 1381 CG PRO A 88 8.343 17.801 -7.754 1.00 0.00 C ATOM 1382 CD PRO A 88 6.875 17.637 -7.483 1.00 0.00 C ATOM 0 HA PRO A 88 7.092 16.250 -10.392 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.564 16.979 -9.310 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.412 18.179 -9.861 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.937 17.203 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.651 18.839 -7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.683 17.403 -6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.319 18.546 -7.714 1.00 0.00 H new ATOM 1390 N SER A 89 9.055 14.752 -8.255 1.00 0.00 N ATOM 1391 CA SER A 89 9.731 13.485 -8.000 1.00 0.00 C ATOM 1392 C SER A 89 9.070 12.739 -6.848 1.00 0.00 C ATOM 1393 O SER A 89 9.456 11.618 -6.517 1.00 0.00 O ATOM 1394 CB SER A 89 11.210 13.724 -7.688 1.00 0.00 C ATOM 1395 OG SER A 89 11.374 14.311 -6.409 1.00 0.00 O ATOM 0 H SER A 89 9.340 15.514 -7.640 1.00 0.00 H new ATOM 0 HA SER A 89 9.652 12.873 -8.898 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.751 12.779 -7.729 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.645 14.373 -8.448 1.00 0.00 H new ATOM 0 HG SER A 89 12.328 14.452 -6.233 1.00 0.00 H new ATOM 1401 N GLU A 90 8.075 13.372 -6.242 1.00 0.00 N ATOM 1402 CA GLU A 90 7.346 12.770 -5.132 1.00 0.00 C ATOM 1403 C GLU A 90 6.106 12.039 -5.633 1.00 0.00 C ATOM 1404 O GLU A 90 5.323 12.587 -6.409 1.00 0.00 O ATOM 1405 CB GLU A 90 6.945 13.836 -4.110 1.00 0.00 C ATOM 1406 CG GLU A 90 6.537 15.160 -4.733 1.00 0.00 C ATOM 1407 CD GLU A 90 6.471 16.286 -3.719 1.00 0.00 C ATOM 1408 OE1 GLU A 90 5.666 16.183 -2.770 1.00 0.00 O ATOM 1409 OE2 GLU A 90 7.223 17.272 -3.875 1.00 0.00 O ATOM 0 H GLU A 90 7.753 14.305 -6.501 1.00 0.00 H new ATOM 0 HA GLU A 90 8.005 12.049 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.118 13.457 -3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.780 14.007 -3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.248 15.423 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.563 15.048 -5.210 1.00 0.00 H new ATOM 1416 N TRP A 91 5.934 10.798 -5.188 1.00 0.00 N ATOM 1417 CA TRP A 91 4.789 9.995 -5.598 1.00 0.00 C ATOM 1418 C TRP A 91 4.349 9.052 -4.483 1.00 0.00 C ATOM 1419 O TRP A 91 5.047 8.887 -3.478 1.00 0.00 O ATOM 1420 CB TRP A 91 5.124 9.192 -6.858 1.00 0.00 C ATOM 1421 CG TRP A 91 6.563 8.783 -6.946 1.00 0.00 C ATOM 1422 CD1 TRP A 91 7.259 8.032 -6.042 1.00 0.00 C ATOM 1423 CD2 TRP A 91 7.481 9.098 -7.998 1.00 0.00 C ATOM 1424 NE1 TRP A 91 8.555 7.864 -6.467 1.00 0.00 N ATOM 1425 CE2 TRP A 91 8.716 8.510 -7.666 1.00 0.00 C ATOM 1426 CE3 TRP A 91 7.381 9.824 -9.188 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 9.839 8.624 -8.481 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 8.495 9.937 -9.997 1.00 0.00 C ATOM 1429 CH2 TRP A 91 9.711 9.340 -9.639 1.00 0.00 C ATOM 0 H TRP A 91 6.572 10.328 -4.545 1.00 0.00 H new ATOM 0 HA TRP A 91 3.966 10.675 -5.816 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.499 8.299 -6.886 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.870 9.787 -7.735 1.00 0.00 H new ATOM 0 HD1 TRP A 91 6.851 7.629 -5.127 1.00 0.00 H new ATOM 0 HE1 TRP A 91 9.279 7.344 -5.972 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.448 10.289 -9.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 10.777 8.164 -8.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 8.428 10.494 -10.920 1.00 0.00 H new ATOM 0 HH2 TRP A 91 10.565 9.448 -10.291 1.00 0.00 H new ATOM 1440 N LYS A 92 3.181 8.443 -4.668 1.00 0.00 N ATOM 1441 CA LYS A 92 2.638 7.513 -3.691 1.00 0.00 C ATOM 1442 C LYS A 92 2.297 6.185 -4.353 1.00 0.00 C ATOM 1443 O LYS A 92 1.587 6.146 -5.358 1.00 0.00 O ATOM 1444 CB LYS A 92 1.391 8.105 -3.034 1.00 0.00 C ATOM 1445 CG LYS A 92 0.764 7.192 -1.996 1.00 0.00 C ATOM 1446 CD LYS A 92 0.083 7.986 -0.893 1.00 0.00 C ATOM 1447 CE LYS A 92 -1.378 8.252 -1.217 1.00 0.00 C ATOM 1448 NZ LYS A 92 -2.088 8.906 -0.085 1.00 0.00 N ATOM 0 H LYS A 92 2.593 8.580 -5.490 1.00 0.00 H new ATOM 0 HA LYS A 92 3.393 7.338 -2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.653 9.052 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.653 8.326 -3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.037 6.538 -2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.532 6.551 -1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.154 7.439 0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.603 8.933 -0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.444 8.886 -2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.873 7.312 -1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.081 9.070 -0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.048 8.290 0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.632 9.815 0.132 1.00 0.00 H new ATOM 1462 N ILE A 93 2.808 5.100 -3.789 1.00 0.00 N ATOM 1463 CA ILE A 93 2.565 3.775 -4.336 1.00 0.00 C ATOM 1464 C ILE A 93 1.988 2.847 -3.275 1.00 0.00 C ATOM 1465 O ILE A 93 2.267 2.997 -2.089 1.00 0.00 O ATOM 1466 CB ILE A 93 3.859 3.155 -4.902 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.585 4.166 -5.792 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.552 1.884 -5.680 1.00 0.00 C ATOM 1469 CD1 ILE A 93 6.085 4.179 -5.595 1.00 0.00 C ATOM 0 H ILE A 93 3.393 5.112 -2.953 1.00 0.00 H new ATOM 0 HA ILE A 93 1.845 3.890 -5.146 1.00 0.00 H new ATOM 0 HB ILE A 93 4.510 2.894 -4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.366 3.942 -6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.192 5.163 -5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.479 1.463 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.075 1.160 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.882 2.117 -6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.533 4.919 -6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.314 4.434 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.491 3.194 -5.824 1.00 0.00 H new ATOM 1481 N TYR A 94 1.172 1.897 -3.712 1.00 0.00 N ATOM 1482 CA TYR A 94 0.568 0.933 -2.806 1.00 0.00 C ATOM 1483 C TYR A 94 1.011 -0.474 -3.163 1.00 0.00 C ATOM 1484 O TYR A 94 0.977 -0.865 -4.337 1.00 0.00 O ATOM 1485 CB TYR A 94 -0.963 1.012 -2.854 1.00 0.00 C ATOM 1486 CG TYR A 94 -1.542 2.238 -2.179 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.193 3.518 -2.592 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.456 2.111 -1.140 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -1.727 4.636 -1.979 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -2.995 3.224 -0.524 1.00 0.00 C ATOM 1491 CZ TYR A 94 -2.627 4.484 -0.947 1.00 0.00 C ATOM 1492 OH TYR A 94 -3.161 5.595 -0.334 1.00 0.00 O ATOM 0 H TYR A 94 0.914 1.774 -4.691 1.00 0.00 H new ATOM 0 HA TYR A 94 0.898 1.175 -1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.284 0.999 -3.896 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.377 0.121 -2.381 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.493 3.641 -3.405 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.750 1.126 -0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.440 5.624 -2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.701 3.108 0.285 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.779 5.313 0.373 1.00 0.00 H new ATOM 1502 N ILE A 95 1.362 -1.244 -2.135 1.00 0.00 N ATOM 1503 CA ILE A 95 1.788 -2.627 -2.300 1.00 0.00 C ATOM 1504 C ILE A 95 0.929 -3.529 -1.415 1.00 0.00 C ATOM 1505 O ILE A 95 0.507 -3.116 -0.335 1.00 0.00 O ATOM 1506 CB ILE A 95 3.290 -2.794 -1.958 1.00 0.00 C ATOM 1507 CG1 ILE A 95 4.041 -3.399 -3.146 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.492 -3.648 -0.712 1.00 0.00 C ATOM 1509 CD1 ILE A 95 4.128 -2.476 -4.343 1.00 0.00 C ATOM 0 H ILE A 95 1.358 -0.925 -1.166 1.00 0.00 H new ATOM 0 HA ILE A 95 1.657 -2.914 -3.343 1.00 0.00 H new ATOM 0 HB ILE A 95 3.694 -1.804 -1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.049 -3.666 -2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.546 -4.323 -3.445 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.558 -3.742 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.997 -3.176 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.065 -4.638 -0.876 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.674 -2.972 -5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.123 -2.229 -4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.650 -1.562 -4.060 1.00 0.00 H new ATOM 1521 N LYS A 96 0.603 -4.728 -1.898 1.00 0.00 N ATOM 1522 CA LYS A 96 -0.262 -5.622 -1.128 1.00 0.00 C ATOM 1523 C LYS A 96 0.216 -7.069 -1.177 1.00 0.00 C ATOM 1524 O LYS A 96 0.056 -7.759 -2.183 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.708 -5.528 -1.624 1.00 0.00 C ATOM 1526 CG LYS A 96 -1.848 -5.623 -3.135 1.00 0.00 C ATOM 1527 CD LYS A 96 -2.363 -6.983 -3.570 1.00 0.00 C ATOM 1528 CE LYS A 96 -3.670 -6.869 -4.336 1.00 0.00 C ATOM 1529 NZ LYS A 96 -3.454 -6.857 -5.808 1.00 0.00 N ATOM 0 H LYS A 96 0.916 -5.096 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 96 -0.216 -5.296 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.292 -6.325 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.137 -4.584 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.529 -4.847 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.881 -5.434 -3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.616 -7.472 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.508 -7.615 -2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.319 -7.704 -4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.187 -5.957 -4.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.363 -6.710 -6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.801 -6.087 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.046 -7.766 -6.106 1.00 0.00 H new ATOM 1543 N VAL A 97 0.783 -7.530 -0.070 1.00 0.00 N ATOM 1544 CA VAL A 97 1.253 -8.904 0.033 1.00 0.00 C ATOM 1545 C VAL A 97 0.083 -9.875 -0.066 1.00 0.00 C ATOM 1546 O VAL A 97 -0.838 -9.833 0.752 1.00 0.00 O ATOM 1547 CB VAL A 97 2.002 -9.154 1.357 1.00 0.00 C ATOM 1548 CG1 VAL A 97 2.909 -10.370 1.238 1.00 0.00 C ATOM 1549 CG2 VAL A 97 2.799 -7.925 1.768 1.00 0.00 C ATOM 0 H VAL A 97 0.929 -6.971 0.771 1.00 0.00 H new ATOM 0 HA VAL A 97 1.944 -9.069 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 97 1.264 -9.353 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.429 -10.530 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.310 -11.249 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.639 -10.203 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.319 -8.125 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.527 -7.687 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.123 -7.081 1.902 1.00 0.00 H new ATOM 1559 N LYS A 98 0.114 -10.732 -1.083 1.00 0.00 N ATOM 1560 CA LYS A 98 -0.949 -11.708 -1.297 1.00 0.00 C ATOM 1561 C LYS A 98 -0.666 -12.998 -0.533 1.00 0.00 C ATOM 1562 O LYS A 98 0.488 -13.473 -0.584 1.00 0.00 O ATOM 1563 CB LYS A 98 -1.099 -12.011 -2.789 1.00 0.00 C ATOM 1564 CG LYS A 98 -2.522 -11.857 -3.303 1.00 0.00 C ATOM 1565 CD LYS A 98 -2.545 -11.356 -4.739 1.00 0.00 C ATOM 1566 CE LYS A 98 -2.396 -12.499 -5.730 1.00 0.00 C ATOM 1567 NZ LYS A 98 -3.609 -13.362 -5.768 1.00 0.00 N ATOM 1568 OXT LYS A 98 -1.600 -13.523 0.108 1.00 0.00 O ATOM 0 H LYS A 98 0.865 -10.770 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.880 -11.281 -0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.444 -11.347 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.761 -13.030 -2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.037 -12.816 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.067 -11.161 -2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.481 -10.830 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.739 -10.637 -4.888 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.206 -12.095 -6.724 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.529 -13.103 -5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.623 -13.903 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.592 -14.020 -4.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.460 -12.767 -5.711 1.00 0.00 H new