USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=14 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 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0731) USER MOD Set 2.1: A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 66 LYS NZ :NH3+ -121:sc= -0.552 (180deg=-3.39!) USER MOD Set 3.1: A 50 MET CE :methyl -142:sc= -0.442 (180deg=-3.03!) USER MOD Set 3.2: A 75 LYS NZ :NH3+ -127:sc= -0.0533 (180deg=0) 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= -1.06 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc=-0.000669 X(o=-0.00067,f=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.28) 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 72 THR OG1 : rot -77:sc= 0.384 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.453 K(o=-0.45,f=-1.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -119:sc= 0.0216 (180deg=0) USER MOD Single : A 94 TYR OH : rot -106:sc= 0.383 USER MOD ----------------------------------------------------------------- ATOM 358 N VAL A 25 -5.180 -0.212 4.577 1.00 0.00 N ATOM 359 CA VAL A 25 -3.737 -0.114 4.769 1.00 0.00 C ATOM 360 C VAL A 25 -3.368 -0.285 6.239 1.00 0.00 C ATOM 361 O VAL A 25 -3.997 0.304 7.119 1.00 0.00 O ATOM 362 CB VAL A 25 -3.194 1.228 4.258 1.00 0.00 C ATOM 363 CG1 VAL A 25 -1.685 1.304 4.436 1.00 0.00 C ATOM 364 CG2 VAL A 25 -3.578 1.442 2.801 1.00 0.00 C ATOM 0 HA VAL A 25 -3.282 -0.918 4.191 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.644 2.025 4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.323 2.264 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.438 1.205 5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.211 0.498 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.184 2.398 2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.162 0.639 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.664 1.442 2.707 1.00 0.00 H new ATOM 374 N THR A 26 -2.349 -1.099 6.499 1.00 0.00 N ATOM 375 CA THR A 26 -1.901 -1.354 7.862 1.00 0.00 C ATOM 376 C THR A 26 -0.669 -0.522 8.201 1.00 0.00 C ATOM 377 O THR A 26 -0.700 0.304 9.114 1.00 0.00 O ATOM 378 CB THR A 26 -1.589 -2.840 8.048 1.00 0.00 C ATOM 379 OG1 THR A 26 -2.441 -3.636 7.244 1.00 0.00 O ATOM 380 CG2 THR A 26 -1.736 -3.309 9.480 1.00 0.00 C ATOM 0 H THR A 26 -1.818 -1.593 5.782 1.00 0.00 H new ATOM 0 HA THR A 26 -2.706 -1.067 8.538 1.00 0.00 H new ATOM 0 HB THR A 26 -0.546 -2.955 7.752 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.225 -4.583 7.376 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.500 -4.371 9.541 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.053 -2.748 10.118 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.761 -3.145 9.813 1.00 0.00 H new ATOM 388 N LYS A 27 0.418 -0.750 7.469 1.00 0.00 N ATOM 389 CA LYS A 27 1.660 -0.024 7.705 1.00 0.00 C ATOM 390 C LYS A 27 1.998 0.885 6.529 1.00 0.00 C ATOM 391 O LYS A 27 1.817 0.512 5.369 1.00 0.00 O ATOM 392 CB LYS A 27 2.808 -1.001 7.957 1.00 0.00 C ATOM 393 CG LYS A 27 3.801 -0.519 8.997 1.00 0.00 C ATOM 394 CD LYS A 27 3.426 -0.997 10.391 1.00 0.00 C ATOM 395 CE LYS A 27 4.599 -0.891 11.352 1.00 0.00 C ATOM 396 NZ LYS A 27 4.148 -0.738 12.762 1.00 0.00 N ATOM 0 H LYS A 27 0.463 -1.430 6.710 1.00 0.00 H new ATOM 0 HA LYS A 27 1.521 0.598 8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.396 -1.958 8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.335 -1.179 7.019 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.798 -0.879 8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.843 0.570 8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.592 -0.405 10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.087 -2.032 10.343 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.222 -1.781 11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.220 -0.039 11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.977 -0.669 13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.575 0.125 12.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.577 -1.563 13.035 1.00 0.00 H new ATOM 410 N THR A 28 2.488 2.080 6.838 1.00 0.00 N ATOM 411 CA THR A 28 2.858 3.049 5.812 1.00 0.00 C ATOM 412 C THR A 28 4.258 3.596 6.062 1.00 0.00 C ATOM 413 O THR A 28 4.602 3.956 7.187 1.00 0.00 O ATOM 414 CB THR A 28 1.851 4.199 5.778 1.00 0.00 C ATOM 415 OG1 THR A 28 0.564 3.730 5.416 1.00 0.00 O ATOM 416 CG2 THR A 28 2.234 5.292 4.805 1.00 0.00 C ATOM 0 H THR A 28 2.639 2.402 7.794 1.00 0.00 H new ATOM 0 HA THR A 28 2.850 2.539 4.848 1.00 0.00 H new ATOM 0 HB THR A 28 1.847 4.614 6.786 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.066 4.481 5.402 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.480 6.079 4.827 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.201 5.708 5.087 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.297 4.878 3.799 1.00 0.00 H new ATOM 424 N LEU A 29 5.059 3.665 5.003 1.00 0.00 N ATOM 425 CA LEU A 29 6.419 4.175 5.109 1.00 0.00 C ATOM 426 C LEU A 29 6.568 5.489 4.351 1.00 0.00 C ATOM 427 O LEU A 29 6.215 5.583 3.175 1.00 0.00 O ATOM 428 CB LEU A 29 7.417 3.150 4.575 1.00 0.00 C ATOM 429 CG LEU A 29 8.830 3.278 5.145 1.00 0.00 C ATOM 430 CD1 LEU A 29 9.284 1.958 5.750 1.00 0.00 C ATOM 431 CD2 LEU A 29 9.799 3.738 4.069 1.00 0.00 C ATOM 0 H LEU A 29 4.789 3.374 4.063 1.00 0.00 H new ATOM 0 HA LEU A 29 6.628 4.358 6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.041 2.150 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.468 3.243 3.490 1.00 0.00 H new ATOM 0 HG LEU A 29 8.816 4.028 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.292 2.069 6.150 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.604 1.673 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.282 1.186 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.800 3.824 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.810 3.013 3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.483 4.708 3.686 1.00 0.00 H new ATOM 443 N ASP A 30 7.093 6.499 5.035 1.00 0.00 N ATOM 444 CA ASP A 30 7.295 7.812 4.432 1.00 0.00 C ATOM 445 C ASP A 30 8.771 8.199 4.459 1.00 0.00 C ATOM 446 O ASP A 30 9.326 8.493 5.518 1.00 0.00 O ATOM 447 CB ASP A 30 6.465 8.866 5.169 1.00 0.00 C ATOM 448 CG ASP A 30 6.614 8.770 6.675 1.00 0.00 C ATOM 449 OD1 ASP A 30 5.985 7.877 7.279 1.00 0.00 O ATOM 450 OD2 ASP A 30 7.363 9.588 7.250 1.00 0.00 O ATOM 0 H ASP A 30 7.387 6.434 6.009 1.00 0.00 H new ATOM 0 HA ASP A 30 6.969 7.764 3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.769 9.859 4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.415 8.749 4.902 1.00 0.00 H new ATOM 455 N VAL A 31 9.401 8.189 3.288 1.00 0.00 N ATOM 456 CA VAL A 31 10.813 8.537 3.178 1.00 0.00 C ATOM 457 C VAL A 31 11.033 9.604 2.109 1.00 0.00 C ATOM 458 O VAL A 31 11.627 9.338 1.063 1.00 0.00 O ATOM 459 CB VAL A 31 11.679 7.304 2.847 1.00 0.00 C ATOM 460 CG1 VAL A 31 12.230 6.679 4.120 1.00 0.00 C ATOM 461 CG2 VAL A 31 10.886 6.285 2.044 1.00 0.00 C ATOM 0 H VAL A 31 8.956 7.944 2.403 1.00 0.00 H new ATOM 0 HA VAL A 31 11.117 8.929 4.149 1.00 0.00 H new ATOM 0 HB VAL A 31 12.520 7.633 2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.838 5.811 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.843 7.409 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.404 6.368 4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.518 5.425 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.020 5.961 2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.551 6.738 1.111 1.00 0.00 H new ATOM 471 N ARG A 32 10.550 10.813 2.384 1.00 0.00 N ATOM 472 CA ARG A 32 10.690 11.929 1.451 1.00 0.00 C ATOM 473 C ARG A 32 12.151 12.148 1.074 1.00 0.00 C ATOM 474 O ARG A 32 12.647 11.578 0.101 1.00 0.00 O ATOM 475 CB ARG A 32 10.107 13.206 2.062 1.00 0.00 C ATOM 476 CG ARG A 32 8.636 13.419 1.744 1.00 0.00 C ATOM 477 CD ARG A 32 8.282 14.897 1.696 1.00 0.00 C ATOM 478 NE ARG A 32 8.635 15.585 2.936 1.00 0.00 N ATOM 479 CZ ARG A 32 8.789 16.903 3.030 1.00 0.00 C ATOM 480 NH1 ARG A 32 8.624 17.672 1.962 1.00 0.00 N ATOM 481 NH2 ARG A 32 9.110 17.453 4.192 1.00 0.00 N ATOM 0 H ARG A 32 10.058 11.046 3.246 1.00 0.00 H new ATOM 0 HA ARG A 32 10.137 11.683 0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.234 13.172 3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.675 14.063 1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.400 12.956 0.786 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.025 12.922 2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.801 15.367 0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.214 15.008 1.511 1.00 0.00 H new ATOM 0 HE ARG A 32 8.771 15.023 3.776 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.378 17.253 1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.743 18.682 2.038 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.239 16.866 5.016 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.228 18.464 4.263 1.00 0.00 H new ATOM 631 N THR A 43 13.383 -0.533 6.184 1.00 0.00 N ATOM 632 CA THR A 43 12.403 -0.836 5.147 1.00 0.00 C ATOM 633 C THR A 43 12.746 -2.143 4.441 1.00 0.00 C ATOM 634 O THR A 43 11.857 -2.902 4.059 1.00 0.00 O ATOM 635 CB THR A 43 12.322 0.311 4.135 1.00 0.00 C ATOM 636 OG1 THR A 43 11.111 0.245 3.403 1.00 0.00 O ATOM 637 CG2 THR A 43 13.460 0.327 3.137 1.00 0.00 C ATOM 0 HA THR A 43 11.429 -0.951 5.623 1.00 0.00 H new ATOM 0 HB THR A 43 12.380 1.221 4.732 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.075 0.986 2.762 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.333 1.167 2.454 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.407 0.430 3.667 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.460 -0.604 2.571 1.00 0.00 H new ATOM 645 N LYS A 44 14.040 -2.409 4.285 1.00 0.00 N ATOM 646 CA LYS A 44 14.495 -3.635 3.644 1.00 0.00 C ATOM 647 C LYS A 44 13.992 -4.852 4.412 1.00 0.00 C ATOM 648 O LYS A 44 13.627 -5.867 3.819 1.00 0.00 O ATOM 649 CB LYS A 44 16.022 -3.659 3.561 1.00 0.00 C ATOM 650 CG LYS A 44 16.561 -3.363 2.171 1.00 0.00 C ATOM 651 CD LYS A 44 16.421 -4.564 1.250 1.00 0.00 C ATOM 652 CE LYS A 44 17.774 -5.168 0.912 1.00 0.00 C ATOM 653 NZ LYS A 44 17.900 -5.470 -0.541 1.00 0.00 N ATOM 0 H LYS A 44 14.790 -1.791 4.594 1.00 0.00 H new ATOM 0 HA LYS A 44 14.090 -3.667 2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.427 -2.929 4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.379 -4.638 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.026 -2.513 1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.611 -3.077 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.794 -5.318 1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.916 -4.263 0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 44 18.564 -4.478 1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.917 -6.083 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.837 -5.880 -0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.162 -6.148 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.789 -4.593 -1.089 1.00 0.00 H new ATOM 667 N ARG A 45 13.952 -4.729 5.735 1.00 0.00 N ATOM 668 CA ARG A 45 13.462 -5.802 6.588 1.00 0.00 C ATOM 669 C ARG A 45 11.975 -6.034 6.350 1.00 0.00 C ATOM 670 O ARG A 45 11.483 -7.156 6.465 1.00 0.00 O ATOM 671 CB ARG A 45 13.710 -5.463 8.055 1.00 0.00 C ATOM 672 CG ARG A 45 13.487 -6.633 9.002 1.00 0.00 C ATOM 673 CD ARG A 45 12.127 -6.553 9.677 1.00 0.00 C ATOM 674 NE ARG A 45 11.849 -5.216 10.196 1.00 0.00 N ATOM 675 CZ ARG A 45 10.800 -4.926 10.960 1.00 0.00 C ATOM 676 NH1 ARG A 45 9.936 -5.873 11.296 1.00 0.00 N ATOM 677 NH2 ARG A 45 10.617 -3.684 11.392 1.00 0.00 N ATOM 0 H ARG A 45 14.254 -3.895 6.239 1.00 0.00 H new ATOM 0 HA ARG A 45 14.002 -6.716 6.340 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.734 -5.106 8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.053 -4.643 8.345 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.566 -7.569 8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 45 14.270 -6.643 9.760 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.352 -6.833 8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.085 -7.274 10.493 1.00 0.00 H new ATOM 0 HE ARG A 45 12.495 -4.463 9.959 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.074 -6.829 10.968 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.133 -5.646 11.882 1.00 0.00 H new ATOM 0 HH21 ARG A 45 11.281 -2.953 11.138 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.812 -3.461 11.978 1.00 0.00 H new ATOM 691 N ALA A 46 11.267 -4.960 6.004 1.00 0.00 N ATOM 692 CA ALA A 46 9.835 -5.039 5.740 1.00 0.00 C ATOM 693 C ALA A 46 9.540 -6.023 4.612 1.00 0.00 C ATOM 694 O ALA A 46 8.736 -6.940 4.775 1.00 0.00 O ATOM 695 CB ALA A 46 9.279 -3.663 5.404 1.00 0.00 C ATOM 0 H ALA A 46 11.663 -4.026 5.900 1.00 0.00 H new ATOM 0 HA ALA A 46 9.344 -5.402 6.643 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.209 -3.740 5.210 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.448 -2.988 6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.781 -3.274 4.518 1.00 0.00 H new ATOM 701 N LEU A 47 10.206 -5.836 3.473 1.00 0.00 N ATOM 702 CA LEU A 47 10.011 -6.714 2.323 1.00 0.00 C ATOM 703 C LEU A 47 10.333 -8.163 2.676 1.00 0.00 C ATOM 704 O LEU A 47 9.690 -9.089 2.180 1.00 0.00 O ATOM 705 CB LEU A 47 10.886 -6.261 1.149 1.00 0.00 C ATOM 706 CG LEU A 47 10.604 -4.853 0.609 1.00 0.00 C ATOM 707 CD1 LEU A 47 9.145 -4.464 0.810 1.00 0.00 C ATOM 708 CD2 LEU A 47 11.524 -3.838 1.269 1.00 0.00 C ATOM 0 H LEU A 47 10.882 -5.087 3.323 1.00 0.00 H new ATOM 0 HA LEU A 47 8.962 -6.654 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.930 -6.308 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.764 -6.974 0.333 1.00 0.00 H new ATOM 0 HG LEU A 47 10.801 -4.859 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.978 -3.461 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.504 -5.171 0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.907 -4.481 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.311 -2.844 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.359 -3.844 2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.562 -4.097 1.059 1.00 0.00 H new ATOM 720 N GLN A 48 11.333 -8.351 3.531 1.00 0.00 N ATOM 721 CA GLN A 48 11.747 -9.689 3.943 1.00 0.00 C ATOM 722 C GLN A 48 10.841 -10.234 5.041 1.00 0.00 C ATOM 723 O GLN A 48 10.916 -11.412 5.393 1.00 0.00 O ATOM 724 CB GLN A 48 13.197 -9.665 4.430 1.00 0.00 C ATOM 725 CG GLN A 48 14.118 -10.573 3.633 1.00 0.00 C ATOM 726 CD GLN A 48 15.496 -10.699 4.254 1.00 0.00 C ATOM 727 OE1 GLN A 48 15.965 -11.801 4.532 1.00 0.00 O ATOM 728 NE2 GLN A 48 16.150 -9.564 4.475 1.00 0.00 N ATOM 0 H GLN A 48 11.872 -7.594 3.952 1.00 0.00 H new ATOM 0 HA GLN A 48 11.667 -10.347 3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 48 13.573 -8.643 4.378 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.225 -9.962 5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.667 -11.562 3.555 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.215 -10.186 2.619 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.721 -8.672 4.228 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.081 -9.585 4.892 1.00 0.00 H new ATOM 737 N ASN A 49 9.984 -9.372 5.580 1.00 0.00 N ATOM 738 CA ASN A 49 9.069 -9.768 6.646 1.00 0.00 C ATOM 739 C ASN A 49 7.655 -9.268 6.365 1.00 0.00 C ATOM 740 O ASN A 49 7.152 -8.378 7.054 1.00 0.00 O ATOM 741 CB ASN A 49 9.559 -9.225 7.989 1.00 0.00 C ATOM 742 CG ASN A 49 9.295 -10.183 9.135 1.00 0.00 C ATOM 743 OD1 ASN A 49 8.242 -10.818 9.198 1.00 0.00 O ATOM 744 ND2 ASN A 49 10.253 -10.289 10.049 1.00 0.00 N ATOM 0 H ASN A 49 9.904 -8.395 5.297 1.00 0.00 H new ATOM 0 HA ASN A 49 9.045 -10.857 6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.628 -9.024 7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.067 -8.274 8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.132 -10.916 10.844 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.109 -9.743 9.956 1.00 0.00 H new ATOM 751 N MET A 50 7.016 -9.844 5.351 1.00 0.00 N ATOM 752 CA MET A 50 5.658 -9.456 4.987 1.00 0.00 C ATOM 753 C MET A 50 4.662 -10.553 5.345 1.00 0.00 C ATOM 754 O MET A 50 4.987 -11.739 5.300 1.00 0.00 O ATOM 755 CB MET A 50 5.572 -9.149 3.491 1.00 0.00 C ATOM 756 CG MET A 50 6.503 -8.041 3.041 1.00 0.00 C ATOM 757 SD MET A 50 6.528 -7.835 1.249 1.00 0.00 S ATOM 758 CE MET A 50 6.968 -9.487 0.720 1.00 0.00 C ATOM 0 H MET A 50 7.416 -10.579 4.768 1.00 0.00 H new ATOM 0 HA MET A 50 5.405 -8.559 5.551 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.802 -10.055 2.930 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.547 -8.873 3.244 1.00 0.00 H new ATOM 0 HG2 MET A 50 6.197 -7.104 3.506 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.512 -8.256 3.392 1.00 0.00 H new ATOM 0 HE1 MET A 50 7.643 -9.428 -0.134 1.00 0.00 H new ATOM 0 HE2 MET A 50 7.462 -10.011 1.538 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.067 -10.029 0.433 1.00 0.00 H new ATOM 768 N LYS A 51 3.446 -10.148 5.695 1.00 0.00 N ATOM 769 CA LYS A 51 2.395 -11.091 6.050 1.00 0.00 C ATOM 770 C LYS A 51 1.567 -11.455 4.817 1.00 0.00 C ATOM 771 O LYS A 51 1.495 -10.679 3.865 1.00 0.00 O ATOM 772 CB LYS A 51 1.504 -10.491 7.135 1.00 0.00 C ATOM 773 CG LYS A 51 1.233 -11.427 8.302 1.00 0.00 C ATOM 774 CD LYS A 51 1.911 -10.942 9.573 1.00 0.00 C ATOM 775 CE LYS A 51 2.066 -12.066 10.585 1.00 0.00 C ATOM 776 NZ LYS A 51 2.600 -11.573 11.885 1.00 0.00 N ATOM 0 H LYS A 51 3.164 -9.169 5.740 1.00 0.00 H new ATOM 0 HA LYS A 51 2.853 -12.002 6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.972 -9.582 7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.553 -10.199 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.158 -11.502 8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.589 -12.428 8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.891 -10.532 9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.327 -10.133 10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.100 -12.544 10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.735 -12.827 10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.691 -12.370 12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.533 -11.139 11.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.949 -10.865 12.282 1.00 0.00 H new ATOM 790 N PRO A 52 0.943 -12.651 4.810 1.00 0.00 N ATOM 791 CA PRO A 52 0.146 -13.132 3.679 1.00 0.00 C ATOM 792 C PRO A 52 -0.684 -12.046 2.999 1.00 0.00 C ATOM 793 O PRO A 52 -0.411 -11.677 1.860 1.00 0.00 O ATOM 794 CB PRO A 52 -0.760 -14.168 4.335 1.00 0.00 C ATOM 795 CG PRO A 52 0.075 -14.753 5.422 1.00 0.00 C ATOM 796 CD PRO A 52 0.993 -13.653 5.896 1.00 0.00 C ATOM 0 HA PRO A 52 0.776 -13.514 2.876 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.666 -13.710 4.732 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.075 -14.930 3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.550 -15.116 6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.647 -15.605 5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.655 -13.232 6.843 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.007 -14.020 6.054 1.00 0.00 H new ATOM 804 N GLY A 53 -1.732 -11.582 3.677 1.00 0.00 N ATOM 805 CA GLY A 53 -2.612 -10.577 3.098 1.00 0.00 C ATOM 806 C GLY A 53 -2.395 -9.189 3.664 1.00 0.00 C ATOM 807 O GLY A 53 -3.324 -8.582 4.199 1.00 0.00 O ATOM 0 H GLY A 53 -1.988 -11.884 4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.459 -10.549 2.019 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.648 -10.872 3.266 1.00 0.00 H new ATOM 811 N GLU A 54 -1.173 -8.687 3.557 1.00 0.00 N ATOM 812 CA GLU A 54 -0.854 -7.357 4.071 1.00 0.00 C ATOM 813 C GLU A 54 -1.038 -6.276 3.011 1.00 0.00 C ATOM 814 O GLU A 54 -0.977 -6.544 1.812 1.00 0.00 O ATOM 815 CB GLU A 54 0.573 -7.314 4.611 1.00 0.00 C ATOM 816 CG GLU A 54 0.645 -7.452 6.121 1.00 0.00 C ATOM 817 CD GLU A 54 2.055 -7.297 6.659 1.00 0.00 C ATOM 818 OE1 GLU A 54 2.959 -6.954 5.867 1.00 0.00 O ATOM 819 OE2 GLU A 54 2.255 -7.517 7.872 1.00 0.00 O ATOM 0 H GLU A 54 -0.389 -9.174 3.123 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.552 -7.154 4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.153 -8.114 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.038 -6.373 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.001 -6.702 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.256 -8.428 6.411 1.00 0.00 H new ATOM 826 N ILE A 55 -1.258 -5.049 3.475 1.00 0.00 N ATOM 827 CA ILE A 55 -1.417 -3.897 2.595 1.00 0.00 C ATOM 828 C ILE A 55 -0.614 -2.716 3.131 1.00 0.00 C ATOM 829 O ILE A 55 -0.901 -2.203 4.212 1.00 0.00 O ATOM 830 CB ILE A 55 -2.895 -3.482 2.457 1.00 0.00 C ATOM 831 CG1 ILE A 55 -3.771 -4.707 2.180 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.054 -2.450 1.351 1.00 0.00 C ATOM 833 CD1 ILE A 55 -4.396 -5.298 3.425 1.00 0.00 C ATOM 0 H ILE A 55 -1.331 -4.827 4.468 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.049 -4.185 1.610 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.219 -3.034 3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.562 -4.428 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.168 -5.471 1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.103 -2.167 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.458 -1.568 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.715 -2.874 0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.002 -6.162 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.611 -5.609 4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.026 -4.550 3.906 1.00 0.00 H new ATOM 845 N LEU A 56 0.390 -2.284 2.374 1.00 0.00 N ATOM 846 CA LEU A 56 1.258 -1.196 2.807 1.00 0.00 C ATOM 847 C LEU A 56 1.184 -0.005 1.859 1.00 0.00 C ATOM 848 O LEU A 56 0.881 -0.154 0.675 1.00 0.00 O ATOM 849 CB LEU A 56 2.707 -1.680 2.896 1.00 0.00 C ATOM 850 CG LEU A 56 2.998 -2.734 3.971 1.00 0.00 C ATOM 851 CD1 LEU A 56 1.968 -2.690 5.089 1.00 0.00 C ATOM 852 CD2 LEU A 56 3.054 -4.123 3.352 1.00 0.00 C ATOM 0 H LEU A 56 0.622 -2.671 1.459 1.00 0.00 H new ATOM 0 HA LEU A 56 0.912 -0.875 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.993 -2.089 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.347 -0.817 3.079 1.00 0.00 H new ATOM 0 HG LEU A 56 3.970 -2.504 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.206 -3.450 5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.982 -1.706 5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.977 -2.882 4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.261 -4.859 4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.097 -4.351 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.844 -4.155 2.601 1.00 0.00 H new ATOM 864 N GLU A 57 1.479 1.176 2.393 1.00 0.00 N ATOM 865 CA GLU A 57 1.477 2.404 1.605 1.00 0.00 C ATOM 866 C GLU A 57 2.886 2.980 1.516 1.00 0.00 C ATOM 867 O GLU A 57 3.674 2.856 2.455 1.00 0.00 O ATOM 868 CB GLU A 57 0.529 3.433 2.227 1.00 0.00 C ATOM 869 CG GLU A 57 0.390 4.706 1.408 1.00 0.00 C ATOM 870 CD GLU A 57 -0.710 5.614 1.923 1.00 0.00 C ATOM 871 OE1 GLU A 57 -0.898 5.679 3.156 1.00 0.00 O ATOM 872 OE2 GLU A 57 -1.384 6.259 1.092 1.00 0.00 O ATOM 0 H GLU A 57 1.724 1.309 3.374 1.00 0.00 H new ATOM 0 HA GLU A 57 1.130 2.168 0.599 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.455 2.981 2.349 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.888 3.690 3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.337 5.246 1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.184 4.445 0.370 1.00 0.00 H new ATOM 879 N VAL A 58 3.206 3.595 0.383 1.00 0.00 N ATOM 880 CA VAL A 58 4.532 4.170 0.178 1.00 0.00 C ATOM 881 C VAL A 58 4.447 5.602 -0.343 1.00 0.00 C ATOM 882 O VAL A 58 3.730 5.883 -1.304 1.00 0.00 O ATOM 883 CB VAL A 58 5.365 3.325 -0.808 1.00 0.00 C ATOM 884 CG1 VAL A 58 6.813 3.792 -0.826 1.00 0.00 C ATOM 885 CG2 VAL A 58 5.279 1.848 -0.453 1.00 0.00 C ATOM 0 H VAL A 58 2.569 3.708 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 58 5.023 4.174 1.151 1.00 0.00 H new ATOM 0 HB VAL A 58 4.952 3.460 -1.808 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.383 3.183 -1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.855 4.836 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.240 3.692 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.873 1.269 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.662 1.693 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.240 1.522 -0.500 1.00 0.00 H new ATOM 895 N TRP A 59 5.203 6.497 0.286 1.00 0.00 N ATOM 896 CA TRP A 59 5.236 7.901 -0.118 1.00 0.00 C ATOM 897 C TRP A 59 6.662 8.324 -0.457 1.00 0.00 C ATOM 898 O TRP A 59 7.506 8.452 0.432 1.00 0.00 O ATOM 899 CB TRP A 59 4.684 8.794 0.999 1.00 0.00 C ATOM 900 CG TRP A 59 3.228 8.581 1.292 1.00 0.00 C ATOM 901 CD1 TRP A 59 2.300 7.990 0.482 1.00 0.00 C ATOM 902 CD2 TRP A 59 2.529 8.973 2.480 1.00 0.00 C ATOM 903 NE1 TRP A 59 1.071 7.984 1.096 1.00 0.00 N ATOM 904 CE2 TRP A 59 1.185 8.583 2.323 1.00 0.00 C ATOM 905 CE3 TRP A 59 2.909 9.614 3.663 1.00 0.00 C ATOM 906 CZ2 TRP A 59 0.224 8.812 3.304 1.00 0.00 C ATOM 907 CZ3 TRP A 59 1.954 9.841 4.635 1.00 0.00 C ATOM 908 CH2 TRP A 59 0.625 9.441 4.450 1.00 0.00 C ATOM 0 H TRP A 59 5.803 6.275 1.080 1.00 0.00 H new ATOM 0 HA TRP A 59 4.611 8.015 -1.004 1.00 0.00 H new ATOM 0 HB2 TRP A 59 5.257 8.615 1.909 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.839 9.838 0.725 1.00 0.00 H new ATOM 0 HD1 TRP A 59 2.503 7.586 -0.499 1.00 0.00 H new ATOM 0 HE1 TRP A 59 0.213 7.597 0.703 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.932 9.926 3.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.802 8.504 3.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.237 10.335 5.553 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.098 9.633 5.229 1.00 0.00 H new ATOM 919 N ILE A 60 6.937 8.507 -1.749 1.00 0.00 N ATOM 920 CA ILE A 60 8.273 8.896 -2.194 1.00 0.00 C ATOM 921 C ILE A 60 8.232 9.539 -3.574 1.00 0.00 C ATOM 922 O ILE A 60 7.163 9.774 -4.132 1.00 0.00 O ATOM 923 CB ILE A 60 9.228 7.685 -2.248 1.00 0.00 C ATOM 924 CG1 ILE A 60 8.441 6.381 -2.419 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.087 7.629 -0.995 1.00 0.00 C ATOM 926 CD1 ILE A 60 7.767 6.251 -3.767 1.00 0.00 C ATOM 0 H ILE A 60 6.257 8.393 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 60 8.643 9.617 -1.465 1.00 0.00 H new ATOM 0 HB ILE A 60 9.883 7.804 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.117 5.538 -2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.685 6.318 -1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.755 6.769 -1.050 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.677 8.542 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.446 7.536 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.229 5.304 -3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.065 7.074 -3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.520 6.281 -4.555 1.00 0.00 H new ATOM 938 N ASP A 61 9.415 9.795 -4.127 1.00 0.00 N ATOM 939 CA ASP A 61 9.533 10.372 -5.459 1.00 0.00 C ATOM 940 C ASP A 61 9.834 9.279 -6.479 1.00 0.00 C ATOM 941 O ASP A 61 9.515 9.408 -7.660 1.00 0.00 O ATOM 942 CB ASP A 61 10.637 11.432 -5.485 1.00 0.00 C ATOM 943 CG ASP A 61 10.382 12.556 -4.499 1.00 0.00 C ATOM 944 OD1 ASP A 61 9.283 13.147 -4.542 1.00 0.00 O ATOM 945 OD2 ASP A 61 11.284 12.846 -3.684 1.00 0.00 O ATOM 0 H ASP A 61 10.308 9.610 -3.669 1.00 0.00 H new ATOM 0 HA ASP A 61 8.587 10.847 -5.717 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.594 10.962 -5.257 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.717 11.845 -6.490 1.00 0.00 H new ATOM 950 N TYR A 62 10.441 8.194 -6.001 1.00 0.00 N ATOM 951 CA TYR A 62 10.775 7.058 -6.851 1.00 0.00 C ATOM 952 C TYR A 62 10.088 5.791 -6.343 1.00 0.00 C ATOM 953 O TYR A 62 10.300 5.384 -5.201 1.00 0.00 O ATOM 954 CB TYR A 62 12.289 6.844 -6.887 1.00 0.00 C ATOM 955 CG TYR A 62 13.061 8.021 -7.439 1.00 0.00 C ATOM 956 CD1 TYR A 62 13.126 8.257 -8.807 1.00 0.00 C ATOM 957 CD2 TYR A 62 13.736 8.892 -6.592 1.00 0.00 C ATOM 958 CE1 TYR A 62 13.833 9.330 -9.314 1.00 0.00 C ATOM 959 CE2 TYR A 62 14.445 9.968 -7.091 1.00 0.00 C ATOM 960 CZ TYR A 62 14.491 10.182 -8.453 1.00 0.00 C ATOM 961 OH TYR A 62 15.198 11.251 -8.955 1.00 0.00 O ATOM 0 H TYR A 62 10.712 8.080 -5.024 1.00 0.00 H new ATOM 0 HA TYR A 62 10.423 7.273 -7.860 1.00 0.00 H new ATOM 0 HB2 TYR A 62 12.640 6.633 -5.877 1.00 0.00 H new ATOM 0 HB3 TYR A 62 12.507 5.963 -7.491 1.00 0.00 H new ATOM 0 HD1 TYR A 62 12.615 7.590 -9.485 1.00 0.00 H new ATOM 0 HD2 TYR A 62 13.706 8.725 -5.525 1.00 0.00 H new ATOM 0 HE1 TYR A 62 13.870 9.501 -10.380 1.00 0.00 H new ATOM 0 HE2 TYR A 62 14.960 10.638 -6.418 1.00 0.00 H new ATOM 0 HH TYR A 62 15.601 11.752 -8.216 1.00 0.00 H new ATOM 971 N PRO A 63 9.249 5.151 -7.183 1.00 0.00 N ATOM 972 CA PRO A 63 8.530 3.930 -6.805 1.00 0.00 C ATOM 973 C PRO A 63 9.428 2.915 -6.105 1.00 0.00 C ATOM 974 O PRO A 63 10.250 2.255 -6.742 1.00 0.00 O ATOM 975 CB PRO A 63 8.050 3.381 -8.147 1.00 0.00 C ATOM 976 CG PRO A 63 7.879 4.588 -9.003 1.00 0.00 C ATOM 977 CD PRO A 63 8.934 5.570 -8.564 1.00 0.00 C ATOM 0 HA PRO A 63 7.728 4.132 -6.095 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.776 2.690 -8.576 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.113 2.834 -8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.996 4.337 -10.057 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.881 5.010 -8.885 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.814 5.526 -9.206 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.565 6.595 -8.597 1.00 0.00 H new ATOM 985 N MET A 64 9.265 2.795 -4.789 1.00 0.00 N ATOM 986 CA MET A 64 10.057 1.858 -4.001 1.00 0.00 C ATOM 987 C MET A 64 9.738 0.418 -4.390 1.00 0.00 C ATOM 988 O MET A 64 10.489 -0.506 -4.066 1.00 0.00 O ATOM 989 CB MET A 64 9.797 2.064 -2.509 1.00 0.00 C ATOM 990 CG MET A 64 11.048 1.956 -1.653 1.00 0.00 C ATOM 991 SD MET A 64 12.308 3.165 -2.106 1.00 0.00 S ATOM 992 CE MET A 64 13.759 2.445 -1.340 1.00 0.00 C ATOM 0 H MET A 64 8.591 3.336 -4.247 1.00 0.00 H new ATOM 0 HA MET A 64 11.110 2.048 -4.207 1.00 0.00 H new ATOM 0 HB2 MET A 64 9.348 3.046 -2.359 1.00 0.00 H new ATOM 0 HB3 MET A 64 9.070 1.326 -2.170 1.00 0.00 H new ATOM 0 HG2 MET A 64 10.779 2.092 -0.605 1.00 0.00 H new ATOM 0 HG3 MET A 64 11.463 0.952 -1.748 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.624 3.079 -1.532 1.00 0.00 H new ATOM 0 HE2 MET A 64 13.600 2.363 -0.265 1.00 0.00 H new ATOM 0 HE3 MET A 64 13.936 1.454 -1.757 1.00 0.00 H new ATOM 1002 N SER A 65 8.630 0.237 -5.102 1.00 0.00 N ATOM 1003 CA SER A 65 8.215 -1.088 -5.548 1.00 0.00 C ATOM 1004 C SER A 65 9.321 -1.760 -6.356 1.00 0.00 C ATOM 1005 O SER A 65 9.272 -2.962 -6.611 1.00 0.00 O ATOM 1006 CB SER A 65 6.940 -0.991 -6.389 1.00 0.00 C ATOM 1007 OG SER A 65 7.237 -0.637 -7.729 1.00 0.00 O ATOM 0 H SER A 65 8.004 0.992 -5.382 1.00 0.00 H new ATOM 0 HA SER A 65 8.014 -1.695 -4.665 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.415 -1.946 -6.370 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.270 -0.250 -5.954 1.00 0.00 H new ATOM 0 HG SER A 65 6.406 -0.583 -8.245 1.00 0.00 H new ATOM 1013 N LYS A 66 10.319 -0.974 -6.753 1.00 0.00 N ATOM 1014 CA LYS A 66 11.447 -1.490 -7.519 1.00 0.00 C ATOM 1015 C LYS A 66 12.120 -2.643 -6.785 1.00 0.00 C ATOM 1016 O LYS A 66 12.472 -3.654 -7.391 1.00 0.00 O ATOM 1017 CB LYS A 66 12.463 -0.377 -7.780 1.00 0.00 C ATOM 1018 CG LYS A 66 12.745 0.486 -6.560 1.00 0.00 C ATOM 1019 CD LYS A 66 14.238 0.642 -6.321 1.00 0.00 C ATOM 1020 CE LYS A 66 14.518 1.464 -5.074 1.00 0.00 C ATOM 1021 NZ LYS A 66 15.749 1.005 -4.370 1.00 0.00 N ATOM 0 H LYS A 66 10.368 0.025 -6.555 1.00 0.00 H new ATOM 0 HA LYS A 66 11.068 -1.860 -8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.397 -0.822 -8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.096 0.257 -8.587 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.293 1.468 -6.696 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.280 0.039 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.696 -0.342 -6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.698 1.121 -7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.626 2.513 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.666 1.398 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.508 0.720 -3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.157 0.194 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.442 1.780 -4.341 1.00 0.00 H new ATOM 1035 N GLU A 67 12.297 -2.481 -5.478 1.00 0.00 N ATOM 1036 CA GLU A 67 12.903 -3.520 -4.652 1.00 0.00 C ATOM 1037 C GLU A 67 11.836 -4.494 -4.168 1.00 0.00 C ATOM 1038 O GLU A 67 12.114 -5.669 -3.902 1.00 0.00 O ATOM 1039 CB GLU A 67 13.623 -2.895 -3.457 1.00 0.00 C ATOM 1040 CG GLU A 67 15.001 -2.348 -3.795 1.00 0.00 C ATOM 1041 CD GLU A 67 16.087 -2.903 -2.895 1.00 0.00 C ATOM 1042 OE1 GLU A 67 15.937 -2.814 -1.658 1.00 0.00 O ATOM 1043 OE2 GLU A 67 17.089 -3.426 -3.427 1.00 0.00 O ATOM 0 H GLU A 67 12.029 -1.640 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 67 13.631 -4.064 -5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.010 -2.089 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.721 -3.643 -2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.237 -2.586 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.986 -1.261 -3.712 1.00 0.00 H new ATOM 1050 N ARG A 68 10.606 -4.000 -4.081 1.00 0.00 N ATOM 1051 CA ARG A 68 9.485 -4.817 -3.643 1.00 0.00 C ATOM 1052 C ARG A 68 9.260 -5.993 -4.589 1.00 0.00 C ATOM 1053 O ARG A 68 9.003 -7.110 -4.144 1.00 0.00 O ATOM 1054 CB ARG A 68 8.213 -3.970 -3.561 1.00 0.00 C ATOM 1055 CG ARG A 68 8.022 -3.282 -2.220 1.00 0.00 C ATOM 1056 CD ARG A 68 8.742 -1.945 -2.170 1.00 0.00 C ATOM 1057 NE ARG A 68 9.059 -1.540 -0.803 1.00 0.00 N ATOM 1058 CZ ARG A 68 10.276 -1.188 -0.402 1.00 0.00 C ATOM 1059 NH1 ARG A 68 11.290 -1.196 -1.259 1.00 0.00 N ATOM 1060 NH2 ARG A 68 10.484 -0.831 0.858 1.00 0.00 N ATOM 0 H ARG A 68 10.362 -3.036 -4.309 1.00 0.00 H new ATOM 0 HA ARG A 68 9.722 -5.210 -2.654 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.239 -3.215 -4.346 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.350 -4.606 -3.759 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.958 -3.130 -2.036 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.394 -3.926 -1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.662 -2.008 -2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.121 -1.182 -2.638 1.00 0.00 H new ATOM 0 HE ARG A 68 8.304 -1.527 -0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.136 -1.473 -2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.223 -0.925 -0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.709 -0.826 1.521 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.419 -0.561 1.164 1.00 0.00 H new ATOM 1074 N ILE A 69 9.358 -5.735 -5.894 1.00 0.00 N ATOM 1075 CA ILE A 69 9.137 -6.774 -6.899 1.00 0.00 C ATOM 1076 C ILE A 69 10.044 -7.989 -6.671 1.00 0.00 C ATOM 1077 O ILE A 69 9.551 -9.107 -6.542 1.00 0.00 O ATOM 1078 CB ILE A 69 9.335 -6.240 -8.334 1.00 0.00 C ATOM 1079 CG1 ILE A 69 8.379 -5.076 -8.603 1.00 0.00 C ATOM 1080 CG2 ILE A 69 9.121 -7.349 -9.354 1.00 0.00 C ATOM 1081 CD1 ILE A 69 8.914 -4.074 -9.602 1.00 0.00 C ATOM 0 H ILE A 69 9.588 -4.819 -6.278 1.00 0.00 H new ATOM 0 HA ILE A 69 8.099 -7.088 -6.788 1.00 0.00 H new ATOM 0 HB ILE A 69 10.359 -5.880 -8.430 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.432 -5.472 -8.969 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.169 -4.564 -7.664 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.265 -6.952 -10.359 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.837 -8.151 -9.175 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.108 -7.739 -9.260 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.184 -3.277 -9.744 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.846 -3.650 -9.229 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.097 -4.572 -10.554 1.00 0.00 H new ATOM 1093 N PRO A 70 11.381 -7.800 -6.616 1.00 0.00 N ATOM 1094 CA PRO A 70 12.319 -8.907 -6.402 1.00 0.00 C ATOM 1095 C PRO A 70 11.919 -9.792 -5.224 1.00 0.00 C ATOM 1096 O PRO A 70 12.001 -11.018 -5.300 1.00 0.00 O ATOM 1097 CB PRO A 70 13.642 -8.198 -6.112 1.00 0.00 C ATOM 1098 CG PRO A 70 13.534 -6.902 -6.833 1.00 0.00 C ATOM 1099 CD PRO A 70 12.084 -6.509 -6.763 1.00 0.00 C ATOM 0 HA PRO A 70 12.357 -9.579 -7.259 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.785 -8.047 -5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.491 -8.781 -6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.166 -6.144 -6.371 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.862 -7.003 -7.868 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.888 -5.847 -5.919 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.768 -5.980 -7.662 1.00 0.00 H new ATOM 1107 N GLU A 71 11.471 -9.166 -4.141 1.00 0.00 N ATOM 1108 CA GLU A 71 11.069 -9.907 -2.946 1.00 0.00 C ATOM 1109 C GLU A 71 9.797 -10.720 -3.190 1.00 0.00 C ATOM 1110 O GLU A 71 9.770 -11.933 -2.964 1.00 0.00 O ATOM 1111 CB GLU A 71 10.857 -8.948 -1.775 1.00 0.00 C ATOM 1112 CG GLU A 71 12.002 -8.951 -0.773 1.00 0.00 C ATOM 1113 CD GLU A 71 12.178 -10.295 -0.092 1.00 0.00 C ATOM 1114 OE1 GLU A 71 11.204 -10.784 0.516 1.00 0.00 O ATOM 1115 OE2 GLU A 71 13.292 -10.856 -0.166 1.00 0.00 O ATOM 0 H GLU A 71 11.377 -8.153 -4.064 1.00 0.00 H new ATOM 0 HA GLU A 71 11.872 -10.603 -2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.726 -7.938 -2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.934 -9.214 -1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.927 -8.683 -1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.821 -8.186 -0.018 1.00 0.00 H new ATOM 1122 N THR A 72 8.739 -10.048 -3.635 1.00 0.00 N ATOM 1123 CA THR A 72 7.466 -10.708 -3.880 1.00 0.00 C ATOM 1124 C THR A 72 7.612 -11.847 -4.882 1.00 0.00 C ATOM 1125 O THR A 72 7.156 -12.961 -4.636 1.00 0.00 O ATOM 1126 CB THR A 72 6.438 -9.700 -4.386 1.00 0.00 C ATOM 1127 OG1 THR A 72 7.070 -8.516 -4.835 1.00 0.00 O ATOM 1128 CG2 THR A 72 5.418 -9.311 -3.340 1.00 0.00 C ATOM 0 H THR A 72 8.741 -9.047 -3.832 1.00 0.00 H new ATOM 0 HA THR A 72 7.124 -11.130 -2.935 1.00 0.00 H new ATOM 0 HB THR A 72 5.922 -10.202 -5.204 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.338 -7.975 -4.063 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.717 -8.592 -3.765 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.875 -10.198 -3.014 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.925 -8.862 -2.486 1.00 0.00 H new ATOM 1136 N VAL A 73 8.265 -11.568 -6.004 1.00 0.00 N ATOM 1137 CA VAL A 73 8.439 -12.573 -7.044 1.00 0.00 C ATOM 1138 C VAL A 73 9.166 -13.799 -6.507 1.00 0.00 C ATOM 1139 O VAL A 73 8.942 -14.914 -6.978 1.00 0.00 O ATOM 1140 CB VAL A 73 9.200 -12.010 -8.262 1.00 0.00 C ATOM 1141 CG1 VAL A 73 10.644 -11.697 -7.901 1.00 0.00 C ATOM 1142 CG2 VAL A 73 9.132 -12.983 -9.430 1.00 0.00 C ATOM 0 H VAL A 73 8.680 -10.661 -6.216 1.00 0.00 H new ATOM 0 HA VAL A 73 7.441 -12.866 -7.369 1.00 0.00 H new ATOM 0 HB VAL A 73 8.720 -11.079 -8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.160 -11.301 -8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.667 -10.957 -7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.141 -12.608 -7.567 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.674 -12.569 -10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.582 -13.932 -9.140 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.091 -13.146 -9.708 1.00 0.00 H new ATOM 1152 N LYS A 74 10.005 -13.598 -5.493 1.00 0.00 N ATOM 1153 CA LYS A 74 10.691 -14.714 -4.859 1.00 0.00 C ATOM 1154 C LYS A 74 9.652 -15.685 -4.321 1.00 0.00 C ATOM 1155 O LYS A 74 9.748 -16.896 -4.517 1.00 0.00 O ATOM 1156 CB LYS A 74 11.594 -14.227 -3.728 1.00 0.00 C ATOM 1157 CG LYS A 74 12.950 -13.731 -4.203 1.00 0.00 C ATOM 1158 CD LYS A 74 14.049 -14.737 -3.902 1.00 0.00 C ATOM 1159 CE LYS A 74 14.797 -15.137 -5.164 1.00 0.00 C ATOM 1160 NZ LYS A 74 15.891 -16.106 -4.880 1.00 0.00 N ATOM 0 H LYS A 74 10.222 -12.683 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 74 11.321 -15.214 -5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.090 -13.423 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.742 -15.040 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.913 -13.541 -5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.181 -12.782 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.748 -14.310 -3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.616 -15.623 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.098 -15.577 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.214 -14.247 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.375 -16.352 -5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.572 -15.677 -4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.491 -16.966 -4.453 1.00 0.00 H new ATOM 1174 N LYS A 75 8.619 -15.124 -3.700 1.00 0.00 N ATOM 1175 CA LYS A 75 7.507 -15.918 -3.193 1.00 0.00 C ATOM 1176 C LYS A 75 6.439 -16.076 -4.273 1.00 0.00 C ATOM 1177 O LYS A 75 6.357 -17.112 -4.933 1.00 0.00 O ATOM 1178 CB LYS A 75 6.900 -15.266 -1.949 1.00 0.00 C ATOM 1179 CG LYS A 75 7.780 -15.369 -0.715 1.00 0.00 C ATOM 1180 CD LYS A 75 8.842 -14.283 -0.700 1.00 0.00 C ATOM 1181 CE LYS A 75 8.229 -12.908 -0.479 1.00 0.00 C ATOM 1182 NZ LYS A 75 8.403 -12.441 0.923 1.00 0.00 N ATOM 0 H LYS A 75 8.530 -14.121 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 75 7.885 -16.903 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.706 -14.214 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.938 -15.732 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.164 -15.290 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.258 -16.348 -0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.566 -14.491 0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.387 -14.292 -1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.689 -12.192 -1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.167 -12.941 -0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.479 -12.167 1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.808 -13.208 1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.043 -11.621 0.939 1.00 0.00 H new ATOM 1196 N LEU A 76 5.605 -15.048 -4.428 1.00 0.00 N ATOM 1197 CA LEU A 76 4.570 -15.047 -5.457 1.00 0.00 C ATOM 1198 C LEU A 76 5.029 -14.246 -6.676 1.00 0.00 C ATOM 1199 O LEU A 76 5.888 -14.695 -7.436 1.00 0.00 O ATOM 1200 CB LEU A 76 3.235 -14.496 -4.922 1.00 0.00 C ATOM 1201 CG LEU A 76 3.301 -13.555 -3.705 1.00 0.00 C ATOM 1202 CD1 LEU A 76 3.610 -14.332 -2.433 1.00 0.00 C ATOM 1203 CD2 LEU A 76 4.316 -12.442 -3.915 1.00 0.00 C ATOM 0 H LEU A 76 5.627 -14.206 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 76 4.403 -16.082 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.739 -13.964 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.600 -15.343 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 76 2.320 -13.093 -3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.651 -13.645 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.829 -15.073 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.571 -14.835 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.336 -11.797 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.304 -12.875 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.036 -11.855 -4.790 1.00 0.00 H new ATOM 1215 N GLY A 77 4.464 -13.051 -6.848 1.00 0.00 N ATOM 1216 CA GLY A 77 4.840 -12.201 -7.961 1.00 0.00 C ATOM 1217 C GLY A 77 5.081 -10.765 -7.535 1.00 0.00 C ATOM 1218 O GLY A 77 6.226 -10.345 -7.369 1.00 0.00 O ATOM 0 H GLY A 77 3.751 -12.658 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.743 -12.595 -8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.054 -12.226 -8.716 1.00 0.00 H new ATOM 1222 N HIS A 78 4.001 -10.000 -7.384 1.00 0.00 N ATOM 1223 CA HIS A 78 4.105 -8.604 -6.970 1.00 0.00 C ATOM 1224 C HIS A 78 2.915 -8.201 -6.103 1.00 0.00 C ATOM 1225 O HIS A 78 1.902 -8.900 -6.059 1.00 0.00 O ATOM 1226 CB HIS A 78 4.188 -7.682 -8.192 1.00 0.00 C ATOM 1227 CG HIS A 78 3.959 -8.377 -9.500 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.800 -9.071 -9.751 1.00 0.00 N ATOM 1229 CD2 HIS A 78 4.763 -8.448 -10.590 1.00 0.00 C ATOM 1230 CE1 HIS A 78 2.921 -9.548 -10.977 1.00 0.00 C ATOM 1231 NE2 HIS A 78 4.093 -9.197 -11.524 1.00 0.00 N ATOM 0 H HIS A 78 3.047 -10.323 -7.542 1.00 0.00 H new ATOM 0 HA HIS A 78 5.017 -8.500 -6.383 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.453 -6.885 -8.083 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.170 -7.209 -8.211 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.740 -8.002 -10.701 1.00 0.00 H new ATOM 0 HE1 HIS A 78 2.171 -10.145 -11.475 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.424 -9.440 -12.458 1.00 0.00 H new ATOM 1239 N GLU A 79 3.040 -7.062 -5.427 1.00 0.00 N ATOM 1240 CA GLU A 79 1.978 -6.541 -4.593 1.00 0.00 C ATOM 1241 C GLU A 79 1.398 -5.290 -5.240 1.00 0.00 C ATOM 1242 O GLU A 79 1.496 -4.195 -4.697 1.00 0.00 O ATOM 1243 CB GLU A 79 2.521 -6.222 -3.198 1.00 0.00 C ATOM 1244 CG GLU A 79 4.037 -6.276 -3.097 1.00 0.00 C ATOM 1245 CD GLU A 79 4.520 -6.558 -1.688 1.00 0.00 C ATOM 1246 OE1 GLU A 79 3.884 -7.380 -0.997 1.00 0.00 O ATOM 1247 OE2 GLU A 79 5.537 -5.959 -1.277 1.00 0.00 O ATOM 0 H GLU A 79 3.879 -6.482 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 79 1.190 -7.287 -4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.183 -5.228 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.094 -6.926 -2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.414 -7.048 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.454 -5.328 -3.437 1.00 0.00 H new ATOM 1254 N VAL A 80 0.824 -5.460 -6.426 1.00 0.00 N ATOM 1255 CA VAL A 80 0.294 -4.333 -7.185 1.00 0.00 C ATOM 1256 C VAL A 80 -1.213 -4.196 -7.011 1.00 0.00 C ATOM 1257 O VAL A 80 -1.971 -5.124 -7.298 1.00 0.00 O ATOM 1258 CB VAL A 80 0.616 -4.467 -8.689 1.00 0.00 C ATOM 1259 CG1 VAL A 80 1.080 -3.132 -9.253 1.00 0.00 C ATOM 1260 CG2 VAL A 80 1.664 -5.548 -8.926 1.00 0.00 C ATOM 0 H VAL A 80 0.714 -6.366 -6.882 1.00 0.00 H new ATOM 0 HA VAL A 80 0.779 -3.440 -6.791 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.295 -4.763 -9.209 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.303 -3.243 -10.314 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.293 -2.389 -9.124 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.977 -2.806 -8.726 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.874 -5.624 -9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.579 -5.290 -8.393 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.289 -6.504 -8.561 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.638 -3.024 -6.550 1.00 0.00 N ATOM 1271 CA LEU A 81 -3.052 -2.753 -6.335 1.00 0.00 C ATOM 1272 C LEU A 81 -3.403 -1.321 -6.716 1.00 0.00 C ATOM 1273 O LEU A 81 -4.479 -1.066 -7.255 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.442 -3.017 -4.875 1.00 0.00 C ATOM 1275 CG LEU A 81 -2.562 -2.328 -3.830 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -3.226 -2.352 -2.462 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -1.203 -2.994 -3.763 1.00 0.00 C ATOM 0 H LEU A 81 -1.020 -2.246 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.617 -3.428 -6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.473 -2.695 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.415 -4.092 -4.697 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.430 -1.288 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.581 -1.856 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.183 -1.832 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.391 -3.385 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.589 -2.493 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.325 -4.042 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.717 -2.927 -4.736 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.491 -0.390 -6.452 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.746 1.012 -6.779 1.00 0.00 C ATOM 1291 C GLU A 82 -1.468 1.768 -7.127 1.00 0.00 C ATOM 1292 O GLU A 82 -0.422 1.571 -6.509 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.459 1.707 -5.619 1.00 0.00 C ATOM 1294 CG GLU A 82 -4.573 2.633 -6.058 1.00 0.00 C ATOM 1295 CD GLU A 82 -5.497 2.000 -7.080 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -6.194 1.026 -6.726 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -5.521 2.477 -8.234 1.00 0.00 O ATOM 0 H GLU A 82 -1.585 -0.574 -6.021 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.385 1.022 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.870 0.950 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.729 2.278 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.154 2.933 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.140 3.540 -6.480 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.577 2.649 -8.122 1.00 0.00 N ATOM 1305 CA ILE A 83 -0.456 3.476 -8.562 1.00 0.00 C ATOM 1306 C ILE A 83 -0.952 4.864 -8.965 1.00 0.00 C ATOM 1307 O ILE A 83 -1.764 4.999 -9.881 1.00 0.00 O ATOM 1308 CB ILE A 83 0.290 2.843 -9.755 1.00 0.00 C ATOM 1309 CG1 ILE A 83 0.771 1.435 -9.402 1.00 0.00 C ATOM 1310 CG2 ILE A 83 1.466 3.715 -10.171 1.00 0.00 C ATOM 1311 CD1 ILE A 83 -0.098 0.339 -9.977 1.00 0.00 C ATOM 0 H ILE A 83 -2.440 2.808 -8.642 1.00 0.00 H new ATOM 0 HA ILE A 83 0.237 3.553 -7.724 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.403 2.771 -10.594 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.791 1.307 -9.764 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.802 1.332 -8.317 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.981 3.254 -11.014 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.103 4.700 -10.463 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.158 3.816 -9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.302 -0.633 -9.687 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.114 0.442 -9.595 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.110 0.417 -11.064 1.00 0.00 H new ATOM 1323 N GLU A 84 -0.474 5.893 -8.269 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.895 7.262 -8.550 1.00 0.00 C ATOM 1325 C GLU A 84 0.158 8.267 -8.110 1.00 0.00 C ATOM 1326 O GLU A 84 1.240 7.898 -7.658 1.00 0.00 O ATOM 1327 CB GLU A 84 -2.221 7.559 -7.847 1.00 0.00 C ATOM 1328 CG GLU A 84 -2.222 7.205 -6.369 1.00 0.00 C ATOM 1329 CD GLU A 84 -3.559 7.475 -5.706 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -3.909 8.662 -5.537 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -4.256 6.498 -5.357 1.00 0.00 O ATOM 0 H GLU A 84 0.202 5.805 -7.510 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.026 7.357 -9.628 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.451 8.619 -7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.018 7.006 -8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.968 6.151 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.446 7.778 -5.861 1.00 0.00 H new ATOM 1338 N GLU A 85 -0.174 9.543 -8.252 1.00 0.00 N ATOM 1339 CA GLU A 85 0.732 10.621 -7.874 1.00 0.00 C ATOM 1340 C GLU A 85 -0.002 11.687 -7.066 1.00 0.00 C ATOM 1341 O GLU A 85 -1.232 11.705 -7.019 1.00 0.00 O ATOM 1342 CB GLU A 85 1.356 11.250 -9.121 1.00 0.00 C ATOM 1343 CG GLU A 85 0.334 11.815 -10.094 1.00 0.00 C ATOM 1344 CD GLU A 85 0.924 12.097 -11.462 1.00 0.00 C ATOM 1345 OE1 GLU A 85 2.058 12.615 -11.524 1.00 0.00 O ATOM 1346 OE2 GLU A 85 0.251 11.801 -12.471 1.00 0.00 O ATOM 0 H GLU A 85 -1.068 9.859 -8.628 1.00 0.00 H new ATOM 0 HA GLU A 85 1.523 10.199 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.034 12.047 -8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.958 10.500 -9.634 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.492 11.111 -10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.081 12.736 -9.685 1.00 0.00 H new ATOM 1353 N VAL A 86 0.758 12.572 -6.430 1.00 0.00 N ATOM 1354 CA VAL A 86 0.178 13.639 -5.620 1.00 0.00 C ATOM 1355 C VAL A 86 0.721 15.003 -6.035 1.00 0.00 C ATOM 1356 O VAL A 86 -0.038 15.954 -6.219 1.00 0.00 O ATOM 1357 CB VAL A 86 0.449 13.429 -4.115 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -0.847 13.514 -3.323 1.00 0.00 C ATOM 1359 CG2 VAL A 86 1.147 12.101 -3.867 1.00 0.00 C ATOM 0 H VAL A 86 1.778 12.572 -6.459 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.898 13.608 -5.792 1.00 0.00 H new ATOM 0 HB VAL A 86 1.112 14.224 -3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.637 13.364 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.298 14.496 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.536 12.744 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.326 11.978 -2.799 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.517 11.287 -4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.098 12.085 -4.399 1.00 0.00 H new ATOM 1369 N GLY A 87 2.041 15.092 -6.174 1.00 0.00 N ATOM 1370 CA GLY A 87 2.664 16.346 -6.557 1.00 0.00 C ATOM 1371 C GLY A 87 3.510 16.221 -7.812 1.00 0.00 C ATOM 1372 O GLY A 87 3.347 15.270 -8.578 1.00 0.00 O ATOM 0 H GLY A 87 2.689 14.318 -6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.890 17.097 -6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.288 16.702 -5.737 1.00 0.00 H new ATOM 1376 N PRO A 88 4.431 17.173 -8.052 1.00 0.00 N ATOM 1377 CA PRO A 88 5.299 17.156 -9.236 1.00 0.00 C ATOM 1378 C PRO A 88 6.134 15.883 -9.327 1.00 0.00 C ATOM 1379 O PRO A 88 5.834 14.990 -10.120 1.00 0.00 O ATOM 1380 CB PRO A 88 6.205 18.378 -9.041 1.00 0.00 C ATOM 1381 CG PRO A 88 5.459 19.263 -8.104 1.00 0.00 C ATOM 1382 CD PRO A 88 4.692 18.346 -7.197 1.00 0.00 C ATOM 0 HA PRO A 88 4.721 17.184 -10.160 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.172 18.091 -8.628 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.400 18.881 -9.988 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.142 19.894 -7.535 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.787 19.928 -8.646 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.269 18.079 -6.312 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.767 18.805 -6.848 1.00 0.00 H new ATOM 1390 N SER A 89 7.184 15.806 -8.515 1.00 0.00 N ATOM 1391 CA SER A 89 8.062 14.641 -8.510 1.00 0.00 C ATOM 1392 C SER A 89 7.702 13.688 -7.378 1.00 0.00 C ATOM 1393 O SER A 89 8.303 12.623 -7.234 1.00 0.00 O ATOM 1394 CB SER A 89 9.523 15.077 -8.380 1.00 0.00 C ATOM 1395 OG SER A 89 9.685 16.437 -8.741 1.00 0.00 O ATOM 0 H SER A 89 7.447 16.536 -7.853 1.00 0.00 H new ATOM 0 HA SER A 89 7.928 14.116 -9.456 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.860 14.928 -7.354 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.150 14.452 -9.016 1.00 0.00 H new ATOM 0 HG SER A 89 10.627 16.690 -8.647 1.00 0.00 H new ATOM 1401 N GLU A 90 6.720 14.081 -6.577 1.00 0.00 N ATOM 1402 CA GLU A 90 6.256 13.253 -5.468 1.00 0.00 C ATOM 1403 C GLU A 90 5.080 12.389 -5.906 1.00 0.00 C ATOM 1404 O GLU A 90 4.050 12.905 -6.339 1.00 0.00 O ATOM 1405 CB GLU A 90 5.853 14.123 -4.272 1.00 0.00 C ATOM 1406 CG GLU A 90 5.530 15.563 -4.636 1.00 0.00 C ATOM 1407 CD GLU A 90 6.757 16.454 -4.634 1.00 0.00 C ATOM 1408 OE1 GLU A 90 7.290 16.727 -3.539 1.00 0.00 O ATOM 1409 OE2 GLU A 90 7.183 16.880 -5.728 1.00 0.00 O ATOM 0 H GLU A 90 6.228 14.969 -6.674 1.00 0.00 H new ATOM 0 HA GLU A 90 7.076 12.603 -5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.984 13.678 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.662 14.116 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 90 5.068 15.590 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.798 15.957 -3.931 1.00 0.00 H new ATOM 1416 N TRP A 91 5.245 11.073 -5.817 1.00 0.00 N ATOM 1417 CA TRP A 91 4.198 10.148 -6.228 1.00 0.00 C ATOM 1418 C TRP A 91 3.763 9.253 -5.074 1.00 0.00 C ATOM 1419 O TRP A 91 4.428 9.184 -4.037 1.00 0.00 O ATOM 1420 CB TRP A 91 4.675 9.285 -7.400 1.00 0.00 C ATOM 1421 CG TRP A 91 5.237 10.072 -8.547 1.00 0.00 C ATOM 1422 CD1 TRP A 91 4.828 11.302 -8.981 1.00 0.00 C ATOM 1423 CD2 TRP A 91 6.304 9.675 -9.417 1.00 0.00 C ATOM 1424 NE1 TRP A 91 5.581 11.696 -10.061 1.00 0.00 N ATOM 1425 CE2 TRP A 91 6.492 10.714 -10.349 1.00 0.00 C ATOM 1426 CE3 TRP A 91 7.120 8.543 -9.498 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 7.463 10.654 -11.346 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 8.083 8.485 -10.488 1.00 0.00 C ATOM 1429 CH2 TRP A 91 8.247 9.535 -11.400 1.00 0.00 C ATOM 0 H TRP A 91 6.091 10.626 -5.465 1.00 0.00 H new ATOM 0 HA TRP A 91 3.340 10.742 -6.544 1.00 0.00 H new ATOM 0 HB2 TRP A 91 5.435 8.591 -7.041 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.840 8.684 -7.759 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.030 11.880 -8.540 1.00 0.00 H new ATOM 0 HE1 TRP A 91 5.478 12.576 -10.566 1.00 0.00 H new ATOM 0 HE3 TRP A 91 7.000 7.728 -8.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.592 11.462 -12.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 8.720 7.615 -10.559 1.00 0.00 H new ATOM 0 HH2 TRP A 91 9.009 9.459 -12.162 1.00 0.00 H new ATOM 1440 N LYS A 92 2.649 8.558 -5.273 1.00 0.00 N ATOM 1441 CA LYS A 92 2.117 7.650 -4.268 1.00 0.00 C ATOM 1442 C LYS A 92 2.031 6.236 -4.826 1.00 0.00 C ATOM 1443 O LYS A 92 1.523 6.021 -5.926 1.00 0.00 O ATOM 1444 CB LYS A 92 0.734 8.115 -3.810 1.00 0.00 C ATOM 1445 CG LYS A 92 0.748 8.850 -2.480 1.00 0.00 C ATOM 1446 CD LYS A 92 -0.580 8.713 -1.753 1.00 0.00 C ATOM 1447 CE LYS A 92 -1.219 10.068 -1.498 1.00 0.00 C ATOM 1448 NZ LYS A 92 -0.842 10.619 -0.168 1.00 0.00 N ATOM 0 H LYS A 92 2.095 8.608 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 92 2.790 7.651 -3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.309 8.768 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.077 7.249 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.549 8.456 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.964 9.905 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.257 8.096 -2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.425 8.199 -0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.915 10.765 -2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.303 9.975 -1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.697 10.747 0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.196 9.959 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.369 11.537 -0.294 1.00 0.00 H new ATOM 1462 N ILE A 93 2.530 5.272 -4.065 1.00 0.00 N ATOM 1463 CA ILE A 93 2.522 3.881 -4.499 1.00 0.00 C ATOM 1464 C ILE A 93 1.842 2.992 -3.469 1.00 0.00 C ATOM 1465 O ILE A 93 2.063 3.137 -2.267 1.00 0.00 O ATOM 1466 CB ILE A 93 3.952 3.351 -4.742 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.911 4.505 -5.067 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.952 2.312 -5.855 1.00 0.00 C ATOM 1469 CD1 ILE A 93 4.723 5.093 -6.452 1.00 0.00 C ATOM 0 H ILE A 93 2.945 5.426 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 93 1.967 3.850 -5.436 1.00 0.00 H new ATOM 0 HB ILE A 93 4.303 2.871 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.777 5.294 -4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 93 5.937 4.149 -4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.967 1.949 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.308 1.478 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.581 2.764 -6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 93 5.437 5.902 -6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.887 4.319 -7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.709 5.482 -6.548 1.00 0.00 H new ATOM 1481 N TYR A 94 1.022 2.064 -3.947 1.00 0.00 N ATOM 1482 CA TYR A 94 0.330 1.137 -3.065 1.00 0.00 C ATOM 1483 C TYR A 94 0.746 -0.292 -3.368 1.00 0.00 C ATOM 1484 O TYR A 94 0.567 -0.779 -4.490 1.00 0.00 O ATOM 1485 CB TYR A 94 -1.187 1.275 -3.204 1.00 0.00 C ATOM 1486 CG TYR A 94 -1.739 2.579 -2.671 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.479 3.783 -3.314 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.533 2.603 -1.530 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -1.987 4.974 -2.831 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -3.046 3.790 -1.042 1.00 0.00 C ATOM 1491 CZ TYR A 94 -2.769 4.973 -1.695 1.00 0.00 C ATOM 1492 OH TYR A 94 -3.277 6.157 -1.212 1.00 0.00 O ATOM 0 H TYR A 94 0.821 1.935 -4.939 1.00 0.00 H new ATOM 0 HA TYR A 94 0.607 1.381 -2.039 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.455 1.182 -4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.666 0.448 -2.679 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.870 3.788 -4.206 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.753 1.679 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.773 5.902 -3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.661 3.791 -0.154 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.788 6.417 -0.403 1.00 0.00 H new ATOM 1502 N ILE A 95 1.245 -0.970 -2.337 1.00 0.00 N ATOM 1503 CA ILE A 95 1.698 -2.349 -2.455 1.00 0.00 C ATOM 1504 C ILE A 95 0.956 -3.211 -1.438 1.00 0.00 C ATOM 1505 O ILE A 95 0.619 -2.738 -0.355 1.00 0.00 O ATOM 1506 CB ILE A 95 3.232 -2.454 -2.241 1.00 0.00 C ATOM 1507 CG1 ILE A 95 3.920 -2.973 -3.507 1.00 0.00 C ATOM 1508 CG2 ILE A 95 3.570 -3.351 -1.056 1.00 0.00 C ATOM 1509 CD1 ILE A 95 3.700 -2.108 -4.729 1.00 0.00 C ATOM 0 H ILE A 95 1.345 -0.578 -1.401 1.00 0.00 H new ATOM 0 HA ILE A 95 1.481 -2.706 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 95 3.602 -1.452 -2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.991 -3.052 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.558 -3.979 -3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.652 -3.402 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.123 -2.941 -0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.177 -4.352 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.220 -2.544 -5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.633 -2.049 -4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.088 -1.107 -4.541 1.00 0.00 H new ATOM 1521 N LYS A 96 0.615 -4.438 -1.821 1.00 0.00 N ATOM 1522 CA LYS A 96 -0.158 -5.306 -0.934 1.00 0.00 C ATOM 1523 C LYS A 96 0.235 -6.772 -1.091 1.00 0.00 C ATOM 1524 O LYS A 96 0.013 -7.379 -2.139 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.659 -5.121 -1.196 1.00 0.00 C ATOM 1526 CG LYS A 96 -2.506 -6.357 -0.930 1.00 0.00 C ATOM 1527 CD LYS A 96 -3.155 -6.868 -2.205 1.00 0.00 C ATOM 1528 CE LYS A 96 -4.622 -6.476 -2.281 1.00 0.00 C ATOM 1529 NZ LYS A 96 -5.432 -7.492 -3.008 1.00 0.00 N ATOM 0 H LYS A 96 0.856 -4.850 -2.723 1.00 0.00 H new ATOM 0 HA LYS A 96 0.066 -5.018 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.025 -4.305 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.799 -4.817 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.884 -7.140 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.277 -6.121 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.625 -6.468 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.065 -7.953 -2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.017 -6.351 -1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.715 -5.512 -2.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.426 -7.187 -3.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.072 -7.594 -3.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.365 -8.406 -2.516 1.00 0.00 H new ATOM 1543 N VAL A 97 0.799 -7.340 -0.029 1.00 0.00 N ATOM 1544 CA VAL A 97 1.191 -8.743 -0.032 1.00 0.00 C ATOM 1545 C VAL A 97 -0.031 -9.638 -0.195 1.00 0.00 C ATOM 1546 O VAL A 97 -0.960 -9.583 0.614 1.00 0.00 O ATOM 1547 CB VAL A 97 1.925 -9.131 1.267 1.00 0.00 C ATOM 1548 CG1 VAL A 97 2.794 -10.360 1.043 1.00 0.00 C ATOM 1549 CG2 VAL A 97 2.755 -7.968 1.790 1.00 0.00 C ATOM 0 H VAL A 97 0.994 -6.849 0.844 1.00 0.00 H new ATOM 0 HA VAL A 97 1.870 -8.884 -0.873 1.00 0.00 H new ATOM 0 HB VAL A 97 1.177 -9.374 2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.304 -10.619 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.169 -11.195 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.532 -10.147 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.263 -8.267 2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.495 -7.683 1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.103 -7.119 1.997 1.00 0.00 H new ATOM 1559 N LYS A 98 -0.033 -10.447 -1.252 1.00 0.00 N ATOM 1560 CA LYS A 98 -1.147 -11.349 -1.528 1.00 0.00 C ATOM 1561 C LYS A 98 -0.996 -12.655 -0.756 1.00 0.00 C ATOM 1562 O LYS A 98 -2.033 -13.236 -0.371 1.00 0.00 O ATOM 1563 CB LYS A 98 -1.234 -11.642 -3.028 1.00 0.00 C ATOM 1564 CG LYS A 98 -2.070 -10.635 -3.801 1.00 0.00 C ATOM 1565 CD LYS A 98 -1.861 -10.775 -5.300 1.00 0.00 C ATOM 1566 CE LYS A 98 -2.960 -10.076 -6.086 1.00 0.00 C ATOM 1567 NZ LYS A 98 -3.102 -8.648 -5.693 1.00 0.00 N ATOM 1568 OXT LYS A 98 0.157 -13.087 -0.543 1.00 0.00 O ATOM 0 H LYS A 98 0.726 -10.496 -1.932 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.065 -10.859 -1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.227 -11.660 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.656 -12.637 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.124 -10.777 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.807 -9.625 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.893 -10.355 -5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.837 -11.831 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.740 -10.139 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.906 -10.593 -5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.709 -8.158 -6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.531 -8.589 -4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.165 -8.198 -5.676 1.00 0.00 H new