USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 559 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 MET CE :methyl 159:sc= -0.066 (180deg=-0.909) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 161:sc= -0.126 (180deg=-0.464) 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 -101:sc= 0.603 USER MOD Single : A 43 THR OG1 : rot 149:sc= 1.42 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.299 K(o=-0.3,f=-2.9!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -128:sc= -0.2 (180deg=-0.987) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -165:sc= 0 (180deg=-0.16) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -70:sc= -1.53 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.247 K(o=-0.25,f=-1.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.396) USER MOD Single : A 94 TYR OH : rot -93:sc= 1.23 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 358 N VAL A 25 -5.050 -0.991 6.037 1.00 0.00 N ATOM 359 CA VAL A 25 -3.615 -0.739 5.956 1.00 0.00 C ATOM 360 C VAL A 25 -2.941 -1.047 7.289 1.00 0.00 C ATOM 361 O VAL A 25 -3.449 -0.675 8.347 1.00 0.00 O ATOM 362 CB VAL A 25 -3.314 0.720 5.558 1.00 0.00 C ATOM 363 CG1 VAL A 25 -1.817 0.994 5.600 1.00 0.00 C ATOM 364 CG2 VAL A 25 -3.878 1.025 4.179 1.00 0.00 C ATOM 0 HA VAL A 25 -3.217 -1.397 5.183 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.799 1.377 6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.628 2.029 5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.444 0.821 6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.306 0.328 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.656 2.059 3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.425 0.358 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.958 0.877 4.187 1.00 0.00 H new ATOM 374 N THR A 26 -1.790 -1.717 7.239 1.00 0.00 N ATOM 375 CA THR A 26 -1.083 -2.083 8.463 1.00 0.00 C ATOM 376 C THR A 26 0.061 -1.118 8.768 1.00 0.00 C ATOM 377 O THR A 26 0.326 -0.812 9.931 1.00 0.00 O ATOM 378 CB THR A 26 -0.541 -3.511 8.359 1.00 0.00 C ATOM 379 OG1 THR A 26 -1.378 -4.305 7.535 1.00 0.00 O ATOM 380 CG2 THR A 26 -0.422 -4.204 9.699 1.00 0.00 C ATOM 0 H THR A 26 -1.333 -2.013 6.376 1.00 0.00 H new ATOM 0 HA THR A 26 -1.800 -2.025 9.282 1.00 0.00 H new ATOM 0 HB THR A 26 0.456 -3.413 7.930 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.015 -5.214 7.479 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.032 -5.212 9.554 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.256 -3.641 10.341 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.404 -4.259 10.169 1.00 0.00 H new ATOM 388 N LYS A 27 0.752 -0.657 7.729 1.00 0.00 N ATOM 389 CA LYS A 27 1.880 0.247 7.914 1.00 0.00 C ATOM 390 C LYS A 27 1.986 1.263 6.779 1.00 0.00 C ATOM 391 O LYS A 27 1.403 1.091 5.706 1.00 0.00 O ATOM 392 CB LYS A 27 3.179 -0.551 8.020 1.00 0.00 C ATOM 393 CG LYS A 27 3.925 -0.324 9.324 1.00 0.00 C ATOM 394 CD LYS A 27 5.378 0.048 9.078 1.00 0.00 C ATOM 395 CE LYS A 27 6.232 -1.183 8.812 1.00 0.00 C ATOM 396 NZ LYS A 27 7.455 -0.853 8.030 1.00 0.00 N ATOM 0 H LYS A 27 0.552 -0.893 6.757 1.00 0.00 H new ATOM 0 HA LYS A 27 1.712 0.798 8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.953 -1.613 7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.829 -0.284 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.436 0.469 9.890 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.878 -1.227 9.933 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.442 0.727 8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.769 0.583 9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.519 -1.637 9.760 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.643 -1.923 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.009 -1.719 7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.181 -0.443 7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.030 -0.166 8.559 1.00 0.00 H new ATOM 410 N THR A 28 2.731 2.332 7.037 1.00 0.00 N ATOM 411 CA THR A 28 2.945 3.384 6.052 1.00 0.00 C ATOM 412 C THR A 28 4.410 3.809 6.026 1.00 0.00 C ATOM 413 O THR A 28 4.979 4.167 7.057 1.00 0.00 O ATOM 414 CB THR A 28 2.057 4.591 6.362 1.00 0.00 C ATOM 415 OG1 THR A 28 0.692 4.213 6.400 1.00 0.00 O ATOM 416 CG2 THR A 28 2.197 5.712 5.356 1.00 0.00 C ATOM 0 H THR A 28 3.200 2.493 7.928 1.00 0.00 H new ATOM 0 HA THR A 28 2.680 2.991 5.071 1.00 0.00 H new ATOM 0 HB THR A 28 2.393 4.954 7.333 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.257 4.472 5.561 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.540 6.536 5.635 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.230 6.060 5.341 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.922 5.349 4.366 1.00 0.00 H new ATOM 424 N LEU A 29 5.014 3.774 4.844 1.00 0.00 N ATOM 425 CA LEU A 29 6.409 4.165 4.685 1.00 0.00 C ATOM 426 C LEU A 29 6.511 5.506 3.968 1.00 0.00 C ATOM 427 O LEU A 29 6.041 5.651 2.842 1.00 0.00 O ATOM 428 CB LEU A 29 7.172 3.096 3.904 1.00 0.00 C ATOM 429 CG LEU A 29 8.693 3.161 4.039 1.00 0.00 C ATOM 430 CD1 LEU A 29 9.270 1.766 4.227 1.00 0.00 C ATOM 431 CD2 LEU A 29 9.308 3.837 2.823 1.00 0.00 C ATOM 0 H LEU A 29 4.559 3.478 3.981 1.00 0.00 H new ATOM 0 HA LEU A 29 6.853 4.265 5.676 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.834 2.114 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.912 3.183 2.849 1.00 0.00 H new ATOM 0 HG LEU A 29 8.937 3.755 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 29 10.354 1.830 4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.853 1.318 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.017 1.148 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.391 3.874 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.057 3.271 1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.917 4.851 2.734 1.00 0.00 H new ATOM 443 N ASP A 30 7.118 6.487 4.630 1.00 0.00 N ATOM 444 CA ASP A 30 7.267 7.818 4.053 1.00 0.00 C ATOM 445 C ASP A 30 8.655 8.387 4.336 1.00 0.00 C ATOM 446 O ASP A 30 8.994 8.684 5.481 1.00 0.00 O ATOM 447 CB ASP A 30 6.197 8.759 4.610 1.00 0.00 C ATOM 448 CG ASP A 30 5.766 8.380 6.013 1.00 0.00 C ATOM 449 OD1 ASP A 30 6.651 8.141 6.861 1.00 0.00 O ATOM 450 OD2 ASP A 30 4.544 8.322 6.264 1.00 0.00 O ATOM 0 H ASP A 30 7.514 6.385 5.565 1.00 0.00 H new ATOM 0 HA ASP A 30 7.144 7.732 2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.581 9.779 4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.329 8.748 3.951 1.00 0.00 H new ATOM 455 N VAL A 31 9.451 8.537 3.281 1.00 0.00 N ATOM 456 CA VAL A 31 10.803 9.076 3.413 1.00 0.00 C ATOM 457 C VAL A 31 11.078 10.130 2.343 1.00 0.00 C ATOM 458 O VAL A 31 11.867 9.905 1.425 1.00 0.00 O ATOM 459 CB VAL A 31 11.871 7.968 3.315 1.00 0.00 C ATOM 460 CG1 VAL A 31 13.198 8.455 3.877 1.00 0.00 C ATOM 461 CG2 VAL A 31 11.411 6.708 4.033 1.00 0.00 C ATOM 0 H VAL A 31 9.185 8.294 2.327 1.00 0.00 H new ATOM 0 HA VAL A 31 10.864 9.535 4.400 1.00 0.00 H new ATOM 0 HB VAL A 31 12.014 7.723 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.940 7.660 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.536 9.323 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.070 8.731 4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 31 12.181 5.941 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.234 6.933 5.085 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.488 6.347 3.579 1.00 0.00 H new ATOM 471 N ARG A 32 10.422 11.282 2.471 1.00 0.00 N ATOM 472 CA ARG A 32 10.583 12.374 1.515 1.00 0.00 C ATOM 473 C ARG A 32 12.054 12.703 1.287 1.00 0.00 C ATOM 474 O ARG A 32 12.682 12.182 0.365 1.00 0.00 O ATOM 475 CB ARG A 32 9.837 13.618 2.007 1.00 0.00 C ATOM 476 CG ARG A 32 9.665 14.687 0.940 1.00 0.00 C ATOM 477 CD ARG A 32 8.211 14.822 0.515 1.00 0.00 C ATOM 478 NE ARG A 32 7.560 15.964 1.151 1.00 0.00 N ATOM 479 CZ ARG A 32 6.275 16.269 0.985 1.00 0.00 C ATOM 480 NH1 ARG A 32 5.507 15.519 0.207 1.00 0.00 N ATOM 481 NH2 ARG A 32 5.759 17.325 1.599 1.00 0.00 N ATOM 0 H ARG A 32 9.772 11.483 3.231 1.00 0.00 H new ATOM 0 HA ARG A 32 10.160 12.051 0.564 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.854 13.321 2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.377 14.044 2.853 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.024 15.643 1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.277 14.439 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.158 14.931 -0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.672 13.909 0.770 1.00 0.00 H new ATOM 0 HE ARG A 32 8.122 16.562 1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.900 14.706 -0.266 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.523 15.755 0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.347 17.904 2.199 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.774 17.558 1.471 1.00 0.00 H new ATOM 631 N THR A 43 13.236 -0.549 5.504 1.00 0.00 N ATOM 632 CA THR A 43 12.579 -1.091 4.321 1.00 0.00 C ATOM 633 C THR A 43 13.138 -2.470 3.986 1.00 0.00 C ATOM 634 O THR A 43 12.413 -3.344 3.513 1.00 0.00 O ATOM 635 CB THR A 43 12.738 -0.138 3.130 1.00 0.00 C ATOM 636 OG1 THR A 43 11.681 -0.321 2.205 1.00 0.00 O ATOM 637 CG2 THR A 43 14.041 -0.303 2.375 1.00 0.00 C ATOM 0 HA THR A 43 11.515 -1.194 4.534 1.00 0.00 H new ATOM 0 HB THR A 43 12.726 0.861 3.566 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.482 0.531 1.763 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.075 0.407 1.549 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.878 -0.117 3.048 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.109 -1.318 1.984 1.00 0.00 H new ATOM 645 N LYS A 44 14.425 -2.664 4.258 1.00 0.00 N ATOM 646 CA LYS A 44 15.071 -3.947 4.011 1.00 0.00 C ATOM 647 C LYS A 44 14.383 -5.045 4.815 1.00 0.00 C ATOM 648 O LYS A 44 14.171 -6.152 4.321 1.00 0.00 O ATOM 649 CB LYS A 44 16.556 -3.874 4.380 1.00 0.00 C ATOM 650 CG LYS A 44 17.244 -5.229 4.425 1.00 0.00 C ATOM 651 CD LYS A 44 18.213 -5.401 3.266 1.00 0.00 C ATOM 652 CE LYS A 44 19.097 -6.623 3.457 1.00 0.00 C ATOM 653 NZ LYS A 44 19.568 -7.176 2.158 1.00 0.00 N ATOM 0 H LYS A 44 15.040 -1.950 4.649 1.00 0.00 H new ATOM 0 HA LYS A 44 14.986 -4.182 2.950 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.070 -3.240 3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.656 -3.394 5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 44 17.781 -5.335 5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.495 -6.020 4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.655 -5.496 2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 44 18.835 -4.511 3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 44 19.957 -6.356 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.544 -7.390 3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 20.168 -8.008 2.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.748 -7.454 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 20.118 -6.453 1.652 1.00 0.00 H new ATOM 667 N ARG A 45 14.022 -4.717 6.051 1.00 0.00 N ATOM 668 CA ARG A 45 13.340 -5.660 6.925 1.00 0.00 C ATOM 669 C ARG A 45 11.940 -5.963 6.413 1.00 0.00 C ATOM 670 O ARG A 45 11.410 -7.049 6.635 1.00 0.00 O ATOM 671 CB ARG A 45 13.259 -5.103 8.337 1.00 0.00 C ATOM 672 CG ARG A 45 12.807 -6.134 9.355 1.00 0.00 C ATOM 673 CD ARG A 45 13.988 -6.838 10.001 1.00 0.00 C ATOM 674 NE ARG A 45 14.302 -6.286 11.316 1.00 0.00 N ATOM 675 CZ ARG A 45 15.275 -6.746 12.097 1.00 0.00 C ATOM 676 NH1 ARG A 45 16.026 -7.764 11.698 1.00 0.00 N ATOM 677 NH2 ARG A 45 15.497 -6.187 13.279 1.00 0.00 N ATOM 0 H ARG A 45 14.192 -3.802 6.469 1.00 0.00 H new ATOM 0 HA ARG A 45 13.914 -6.587 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.237 -4.718 8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 45 12.568 -4.260 8.350 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.207 -5.648 10.124 1.00 0.00 H new ATOM 0 HG3 ARG A 45 12.166 -6.869 8.869 1.00 0.00 H new ATOM 0 HD2 ARG A 45 13.768 -7.901 10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.860 -6.751 9.353 1.00 0.00 H new ATOM 0 HE ARG A 45 13.743 -5.503 11.655 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.858 -8.196 10.790 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.772 -8.114 12.300 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.921 -5.404 13.589 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.243 -6.540 13.878 1.00 0.00 H new ATOM 691 N ALA A 46 11.341 -4.990 5.736 1.00 0.00 N ATOM 692 CA ALA A 46 9.999 -5.155 5.189 1.00 0.00 C ATOM 693 C ALA A 46 9.933 -6.361 4.254 1.00 0.00 C ATOM 694 O ALA A 46 9.130 -7.271 4.457 1.00 0.00 O ATOM 695 CB ALA A 46 9.564 -3.895 4.460 1.00 0.00 C ATOM 0 H ALA A 46 11.763 -4.079 5.553 1.00 0.00 H new ATOM 0 HA ALA A 46 9.315 -5.332 6.019 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.561 -4.035 4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.563 -3.055 5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.256 -3.690 3.644 1.00 0.00 H new ATOM 701 N LEU A 47 10.794 -6.366 3.240 1.00 0.00 N ATOM 702 CA LEU A 47 10.828 -7.456 2.269 1.00 0.00 C ATOM 703 C LEU A 47 11.161 -8.789 2.933 1.00 0.00 C ATOM 704 O LEU A 47 10.374 -9.733 2.880 1.00 0.00 O ATOM 705 CB LEU A 47 11.866 -7.167 1.177 1.00 0.00 C ATOM 706 CG LEU A 47 11.577 -5.960 0.275 1.00 0.00 C ATOM 707 CD1 LEU A 47 10.086 -5.826 -0.004 1.00 0.00 C ATOM 708 CD2 LEU A 47 12.124 -4.687 0.899 1.00 0.00 C ATOM 0 H LEU A 47 11.477 -5.628 3.069 1.00 0.00 H new ATOM 0 HA LEU A 47 9.834 -7.526 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.834 -7.014 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.957 -8.052 0.547 1.00 0.00 H new ATOM 0 HG LEU A 47 12.081 -6.123 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.912 -4.962 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.727 -6.726 -0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.550 -5.694 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.910 -3.841 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.653 -4.525 1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.202 -4.780 1.031 1.00 0.00 H new ATOM 720 N GLN A 48 12.349 -8.868 3.523 1.00 0.00 N ATOM 721 CA GLN A 48 12.822 -10.098 4.148 1.00 0.00 C ATOM 722 C GLN A 48 11.887 -10.579 5.253 1.00 0.00 C ATOM 723 O GLN A 48 11.758 -11.780 5.487 1.00 0.00 O ATOM 724 CB GLN A 48 14.225 -9.883 4.715 1.00 0.00 C ATOM 725 CG GLN A 48 15.324 -10.438 3.825 1.00 0.00 C ATOM 726 CD GLN A 48 16.704 -9.953 4.227 1.00 0.00 C ATOM 727 OE1 GLN A 48 16.852 -8.881 4.815 1.00 0.00 O ATOM 728 NE2 GLN A 48 17.724 -10.743 3.909 1.00 0.00 N ATOM 0 H GLN A 48 13.006 -8.090 3.581 1.00 0.00 H new ATOM 0 HA GLN A 48 12.844 -10.870 3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.390 -8.816 4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.289 -10.354 5.696 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.301 -11.527 3.863 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.129 -10.151 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.555 -11.623 3.422 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.676 -10.470 4.152 1.00 0.00 H new ATOM 737 N ASN A 49 11.254 -9.640 5.946 1.00 0.00 N ATOM 738 CA ASN A 49 10.349 -9.983 7.036 1.00 0.00 C ATOM 739 C ASN A 49 8.968 -9.365 6.824 1.00 0.00 C ATOM 740 O ASN A 49 8.539 -8.500 7.589 1.00 0.00 O ATOM 741 CB ASN A 49 10.930 -9.521 8.377 1.00 0.00 C ATOM 742 CG ASN A 49 11.139 -10.670 9.344 1.00 0.00 C ATOM 743 OD1 ASN A 49 11.878 -11.612 9.056 1.00 0.00 O ATOM 744 ND2 ASN A 49 10.487 -10.598 10.498 1.00 0.00 N ATOM 0 H ASN A 49 11.350 -8.639 5.774 1.00 0.00 H new ATOM 0 HA ASN A 49 10.238 -11.067 7.049 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.881 -9.018 8.204 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.260 -8.789 8.827 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.588 -11.342 11.188 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.885 -9.798 10.695 1.00 0.00 H new ATOM 751 N MET A 50 8.275 -9.822 5.784 1.00 0.00 N ATOM 752 CA MET A 50 6.940 -9.317 5.475 1.00 0.00 C ATOM 753 C MET A 50 5.864 -10.261 6.005 1.00 0.00 C ATOM 754 O MET A 50 6.120 -11.444 6.232 1.00 0.00 O ATOM 755 CB MET A 50 6.778 -9.130 3.963 1.00 0.00 C ATOM 756 CG MET A 50 6.460 -10.416 3.213 1.00 0.00 C ATOM 757 SD MET A 50 7.932 -11.383 2.830 1.00 0.00 S ATOM 758 CE MET A 50 7.694 -12.800 3.898 1.00 0.00 C ATOM 0 H MET A 50 8.614 -10.539 5.143 1.00 0.00 H new ATOM 0 HA MET A 50 6.821 -8.351 5.966 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.983 -8.408 3.779 1.00 0.00 H new ATOM 0 HB3 MET A 50 7.696 -8.703 3.559 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.779 -11.021 3.811 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.940 -10.172 2.287 1.00 0.00 H new ATOM 0 HE1 MET A 50 8.285 -13.638 3.528 1.00 0.00 H new ATOM 0 HE2 MET A 50 8.012 -12.550 4.910 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.640 -13.076 3.907 1.00 0.00 H new ATOM 768 N LYS A 51 4.660 -9.731 6.195 1.00 0.00 N ATOM 769 CA LYS A 51 3.545 -10.530 6.688 1.00 0.00 C ATOM 770 C LYS A 51 2.631 -10.949 5.536 1.00 0.00 C ATOM 771 O LYS A 51 2.452 -10.202 4.574 1.00 0.00 O ATOM 772 CB LYS A 51 2.753 -9.749 7.737 1.00 0.00 C ATOM 773 CG LYS A 51 2.359 -10.577 8.949 1.00 0.00 C ATOM 774 CD LYS A 51 2.632 -9.834 10.246 1.00 0.00 C ATOM 775 CE LYS A 51 3.976 -10.223 10.841 1.00 0.00 C ATOM 776 NZ LYS A 51 4.060 -11.683 11.122 1.00 0.00 N ATOM 0 H LYS A 51 4.432 -8.753 6.015 1.00 0.00 H new ATOM 0 HA LYS A 51 3.947 -11.430 7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.347 -8.897 8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.852 -9.348 7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.300 -10.829 8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.912 -11.517 8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.612 -8.760 10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.840 -10.049 10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.773 -9.940 10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.139 -9.666 11.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.362 -11.830 12.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.127 -12.119 10.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.750 -12.121 10.479 1.00 0.00 H new ATOM 790 N PRO A 52 2.053 -12.161 5.611 1.00 0.00 N ATOM 791 CA PRO A 52 1.185 -12.697 4.555 1.00 0.00 C ATOM 792 C PRO A 52 0.088 -11.728 4.115 1.00 0.00 C ATOM 793 O PRO A 52 -0.173 -11.587 2.923 1.00 0.00 O ATOM 794 CB PRO A 52 0.568 -13.935 5.206 1.00 0.00 C ATOM 795 CG PRO A 52 1.585 -14.381 6.197 1.00 0.00 C ATOM 796 CD PRO A 52 2.232 -13.127 6.716 1.00 0.00 C ATOM 0 HA PRO A 52 1.749 -12.898 3.644 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.380 -13.699 5.689 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.365 -14.712 4.469 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.121 -14.945 7.006 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.321 -15.037 5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.756 -12.780 7.633 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.286 -13.285 6.944 1.00 0.00 H new ATOM 804 N GLY A 53 -0.602 -11.125 5.079 1.00 0.00 N ATOM 805 CA GLY A 53 -1.688 -10.214 4.755 1.00 0.00 C ATOM 806 C GLY A 53 -1.333 -8.751 4.949 1.00 0.00 C ATOM 807 O GLY A 53 -2.016 -8.040 5.688 1.00 0.00 O ATOM 0 H GLY A 53 -0.430 -11.250 6.077 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.987 -10.372 3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.551 -10.455 5.376 1.00 0.00 H new ATOM 811 N GLU A 54 -0.272 -8.291 4.292 1.00 0.00 N ATOM 812 CA GLU A 54 0.138 -6.890 4.410 1.00 0.00 C ATOM 813 C GLU A 54 -0.516 -6.021 3.340 1.00 0.00 C ATOM 814 O GLU A 54 -0.588 -6.400 2.174 1.00 0.00 O ATOM 815 CB GLU A 54 1.657 -6.747 4.326 1.00 0.00 C ATOM 816 CG GLU A 54 2.389 -7.305 5.533 1.00 0.00 C ATOM 817 CD GLU A 54 2.051 -6.567 6.813 1.00 0.00 C ATOM 818 OE1 GLU A 54 1.036 -6.918 7.451 1.00 0.00 O ATOM 819 OE2 GLU A 54 2.801 -5.638 7.178 1.00 0.00 O ATOM 0 H GLU A 54 0.315 -8.857 3.679 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.196 -6.547 5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.012 -7.255 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.908 -5.692 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.139 -8.360 5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.464 -7.250 5.359 1.00 0.00 H new ATOM 826 N ILE A 55 -0.998 -4.856 3.762 1.00 0.00 N ATOM 827 CA ILE A 55 -1.621 -3.887 2.863 1.00 0.00 C ATOM 828 C ILE A 55 -1.121 -2.488 3.194 1.00 0.00 C ATOM 829 O ILE A 55 -1.782 -1.754 3.926 1.00 0.00 O ATOM 830 CB ILE A 55 -3.152 -3.900 3.005 1.00 0.00 C ATOM 831 CG1 ILE A 55 -3.680 -5.337 2.989 1.00 0.00 C ATOM 832 CG2 ILE A 55 -3.795 -3.083 1.895 1.00 0.00 C ATOM 833 CD1 ILE A 55 -4.101 -5.842 4.351 1.00 0.00 C ATOM 0 H ILE A 55 -0.968 -4.556 4.736 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.355 -4.160 1.842 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.414 -3.448 3.962 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.531 -5.395 2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.908 -5.995 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.879 -3.102 2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.443 -2.053 1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.525 -3.507 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.464 -6.866 4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.247 -5.817 5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.895 -5.208 4.745 1.00 0.00 H new ATOM 845 N LEU A 56 0.060 -2.121 2.703 1.00 0.00 N ATOM 846 CA LEU A 56 0.659 -0.853 3.097 1.00 0.00 C ATOM 847 C LEU A 56 0.828 0.094 1.920 1.00 0.00 C ATOM 848 O LEU A 56 0.535 -0.253 0.775 1.00 0.00 O ATOM 849 CB LEU A 56 2.033 -1.102 3.732 1.00 0.00 C ATOM 850 CG LEU A 56 2.058 -1.834 5.088 1.00 0.00 C ATOM 851 CD1 LEU A 56 0.736 -2.504 5.419 1.00 0.00 C ATOM 852 CD2 LEU A 56 3.155 -2.870 5.087 1.00 0.00 C ATOM 0 H LEU A 56 0.611 -2.672 2.045 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.018 -0.387 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.633 -1.677 3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.527 -0.138 3.859 1.00 0.00 H new ATOM 0 HG LEU A 56 2.242 -1.080 5.853 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.813 -3.003 6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.052 -1.752 5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.497 -3.238 4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.170 -3.385 6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.973 -3.592 4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.116 -2.382 4.922 1.00 0.00 H new ATOM 864 N GLU A 57 1.298 1.300 2.222 1.00 0.00 N ATOM 865 CA GLU A 57 1.518 2.318 1.203 1.00 0.00 C ATOM 866 C GLU A 57 2.898 2.951 1.358 1.00 0.00 C ATOM 867 O GLU A 57 3.529 2.835 2.408 1.00 0.00 O ATOM 868 CB GLU A 57 0.436 3.398 1.286 1.00 0.00 C ATOM 869 CG GLU A 57 0.597 4.333 2.475 1.00 0.00 C ATOM 870 CD GLU A 57 -0.723 4.912 2.946 1.00 0.00 C ATOM 871 OE1 GLU A 57 -1.403 5.575 2.136 1.00 0.00 O ATOM 872 OE2 GLU A 57 -1.073 4.705 4.127 1.00 0.00 O ATOM 0 H GLU A 57 1.535 1.596 3.169 1.00 0.00 H new ATOM 0 HA GLU A 57 1.465 1.837 0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.450 3.986 0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.541 2.918 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.066 3.792 3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.270 5.146 2.204 1.00 0.00 H new ATOM 879 N VAL A 58 3.360 3.617 0.305 1.00 0.00 N ATOM 880 CA VAL A 58 4.663 4.273 0.323 1.00 0.00 C ATOM 881 C VAL A 58 4.574 5.672 -0.279 1.00 0.00 C ATOM 882 O VAL A 58 3.883 5.888 -1.274 1.00 0.00 O ATOM 883 CB VAL A 58 5.718 3.455 -0.451 1.00 0.00 C ATOM 884 CG1 VAL A 58 7.120 3.960 -0.142 1.00 0.00 C ATOM 885 CG2 VAL A 58 5.596 1.974 -0.127 1.00 0.00 C ATOM 0 H VAL A 58 2.851 3.717 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 58 4.970 4.345 1.366 1.00 0.00 H new ATOM 0 HB VAL A 58 5.535 3.585 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.850 3.371 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.202 5.007 -0.433 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.314 3.865 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.349 1.417 -0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.748 1.822 0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.603 1.621 -0.406 1.00 0.00 H new ATOM 895 N TRP A 59 5.272 6.623 0.337 1.00 0.00 N ATOM 896 CA TRP A 59 5.271 8.001 -0.139 1.00 0.00 C ATOM 897 C TRP A 59 6.696 8.510 -0.322 1.00 0.00 C ATOM 898 O TRP A 59 7.388 8.807 0.653 1.00 0.00 O ATOM 899 CB TRP A 59 4.518 8.902 0.844 1.00 0.00 C ATOM 900 CG TRP A 59 4.141 10.232 0.265 1.00 0.00 C ATOM 901 CD1 TRP A 59 4.977 11.278 0.003 1.00 0.00 C ATOM 902 CD2 TRP A 59 2.829 10.661 -0.118 1.00 0.00 C ATOM 903 NE1 TRP A 59 4.267 12.330 -0.523 1.00 0.00 N ATOM 904 CE2 TRP A 59 2.946 11.976 -0.607 1.00 0.00 C ATOM 905 CE3 TRP A 59 1.567 10.059 -0.097 1.00 0.00 C ATOM 906 CZ2 TRP A 59 1.849 12.699 -1.069 1.00 0.00 C ATOM 907 CZ3 TRP A 59 0.480 10.778 -0.556 1.00 0.00 C ATOM 908 CH2 TRP A 59 0.627 12.086 -1.036 1.00 0.00 C ATOM 0 H TRP A 59 5.845 6.463 1.166 1.00 0.00 H new ATOM 0 HA TRP A 59 4.766 8.027 -1.105 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.615 8.390 1.176 1.00 0.00 H new ATOM 0 HB3 TRP A 59 5.137 9.061 1.727 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.042 11.279 0.183 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.659 13.228 -0.805 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.444 9.051 0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 1.959 13.707 -1.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.500 10.324 -0.545 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -0.243 12.621 -1.387 1.00 0.00 H new ATOM 919 N ILE A 60 7.134 8.594 -1.575 1.00 0.00 N ATOM 920 CA ILE A 60 8.480 9.066 -1.881 1.00 0.00 C ATOM 921 C ILE A 60 8.575 9.574 -3.314 1.00 0.00 C ATOM 922 O ILE A 60 7.585 9.592 -4.046 1.00 0.00 O ATOM 923 CB ILE A 60 9.537 7.963 -1.676 1.00 0.00 C ATOM 924 CG1 ILE A 60 8.894 6.574 -1.730 1.00 0.00 C ATOM 925 CG2 ILE A 60 10.263 8.167 -0.355 1.00 0.00 C ATOM 926 CD1 ILE A 60 9.887 5.438 -1.598 1.00 0.00 C ATOM 0 H ILE A 60 6.578 8.342 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 60 8.682 9.883 -1.189 1.00 0.00 H new ATOM 0 HB ILE A 60 10.264 8.029 -2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.156 6.494 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.357 6.468 -2.673 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.007 7.381 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 60 10.758 9.138 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.545 8.128 0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.359 4.486 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.611 5.492 -2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.406 5.518 -0.643 1.00 0.00 H new ATOM 938 N ASP A 61 9.778 9.976 -3.710 1.00 0.00 N ATOM 939 CA ASP A 61 10.015 10.471 -5.061 1.00 0.00 C ATOM 940 C ASP A 61 10.574 9.365 -5.948 1.00 0.00 C ATOM 941 O ASP A 61 10.845 9.579 -7.129 1.00 0.00 O ATOM 942 CB ASP A 61 10.982 11.656 -5.031 1.00 0.00 C ATOM 943 CG ASP A 61 12.275 11.328 -4.311 1.00 0.00 C ATOM 944 OD1 ASP A 61 13.179 10.750 -4.950 1.00 0.00 O ATOM 945 OD2 ASP A 61 12.382 11.647 -3.108 1.00 0.00 O ATOM 0 H ASP A 61 10.605 9.969 -3.113 1.00 0.00 H new ATOM 0 HA ASP A 61 9.063 10.802 -5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.206 11.965 -6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.501 12.502 -4.541 1.00 0.00 H new ATOM 950 N TYR A 62 10.741 8.181 -5.368 1.00 0.00 N ATOM 951 CA TYR A 62 11.263 7.033 -6.098 1.00 0.00 C ATOM 952 C TYR A 62 10.470 5.774 -5.759 1.00 0.00 C ATOM 953 O TYR A 62 10.254 5.468 -4.587 1.00 0.00 O ATOM 954 CB TYR A 62 12.741 6.822 -5.768 1.00 0.00 C ATOM 955 CG TYR A 62 13.575 6.397 -6.955 1.00 0.00 C ATOM 956 CD1 TYR A 62 14.108 7.338 -7.827 1.00 0.00 C ATOM 957 CD2 TYR A 62 13.830 5.053 -7.203 1.00 0.00 C ATOM 958 CE1 TYR A 62 14.871 6.952 -8.912 1.00 0.00 C ATOM 959 CE2 TYR A 62 14.592 4.661 -8.287 1.00 0.00 C ATOM 960 CZ TYR A 62 15.110 5.613 -9.138 1.00 0.00 C ATOM 961 OH TYR A 62 15.870 5.226 -10.218 1.00 0.00 O ATOM 0 H TYR A 62 10.521 7.992 -4.390 1.00 0.00 H new ATOM 0 HA TYR A 62 11.162 7.232 -7.165 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.149 7.747 -5.362 1.00 0.00 H new ATOM 0 HB3 TYR A 62 12.825 6.066 -4.987 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.923 8.388 -7.654 1.00 0.00 H new ATOM 0 HD2 TYR A 62 13.426 4.304 -6.538 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.279 7.696 -9.580 1.00 0.00 H new ATOM 0 HE2 TYR A 62 14.781 3.613 -8.467 1.00 0.00 H new ATOM 0 HH TYR A 62 15.944 4.249 -10.233 1.00 0.00 H new ATOM 971 N PRO A 63 10.016 5.024 -6.780 1.00 0.00 N ATOM 972 CA PRO A 63 9.239 3.796 -6.570 1.00 0.00 C ATOM 973 C PRO A 63 10.070 2.687 -5.932 1.00 0.00 C ATOM 974 O PRO A 63 10.839 2.006 -6.609 1.00 0.00 O ATOM 975 CB PRO A 63 8.809 3.398 -7.985 1.00 0.00 C ATOM 976 CG PRO A 63 9.822 4.022 -8.879 1.00 0.00 C ATOM 977 CD PRO A 63 10.223 5.309 -8.213 1.00 0.00 C ATOM 0 HA PRO A 63 8.404 3.954 -5.887 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.791 2.315 -8.103 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.806 3.760 -8.210 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.683 3.366 -9.012 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.407 4.208 -9.870 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.260 5.567 -8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.610 6.145 -8.550 1.00 0.00 H new ATOM 985 N MET A 64 9.905 2.509 -4.623 1.00 0.00 N ATOM 986 CA MET A 64 10.638 1.482 -3.891 1.00 0.00 C ATOM 987 C MET A 64 10.184 0.088 -4.309 1.00 0.00 C ATOM 988 O MET A 64 10.843 -0.912 -4.010 1.00 0.00 O ATOM 989 CB MET A 64 10.453 1.667 -2.385 1.00 0.00 C ATOM 990 CG MET A 64 11.657 2.292 -1.702 1.00 0.00 C ATOM 991 SD MET A 64 11.798 1.819 0.032 1.00 0.00 S ATOM 992 CE MET A 64 12.353 3.359 0.759 1.00 0.00 C ATOM 0 H MET A 64 9.270 3.063 -4.049 1.00 0.00 H new ATOM 0 HA MET A 64 11.696 1.585 -4.131 1.00 0.00 H new ATOM 0 HB2 MET A 64 9.579 2.293 -2.208 1.00 0.00 H new ATOM 0 HB3 MET A 64 10.249 0.698 -1.930 1.00 0.00 H new ATOM 0 HG2 MET A 64 12.563 1.995 -2.230 1.00 0.00 H new ATOM 0 HG3 MET A 64 11.587 3.377 -1.774 1.00 0.00 H new ATOM 0 HE1 MET A 64 12.738 3.170 1.761 1.00 0.00 H new ATOM 0 HE2 MET A 64 13.142 3.789 0.142 1.00 0.00 H new ATOM 0 HE3 MET A 64 11.517 4.056 0.817 1.00 0.00 H new ATOM 1002 N SER A 65 9.064 0.027 -5.023 1.00 0.00 N ATOM 1003 CA SER A 65 8.538 -1.242 -5.510 1.00 0.00 C ATOM 1004 C SER A 65 9.561 -1.931 -6.409 1.00 0.00 C ATOM 1005 O SER A 65 9.411 -3.102 -6.753 1.00 0.00 O ATOM 1006 CB SER A 65 7.231 -1.019 -6.275 1.00 0.00 C ATOM 1007 OG SER A 65 7.482 -0.618 -7.611 1.00 0.00 O ATOM 0 H SER A 65 8.504 0.841 -5.277 1.00 0.00 H new ATOM 0 HA SER A 65 8.336 -1.884 -4.652 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.644 -1.937 -6.272 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.636 -0.258 -5.770 1.00 0.00 H new ATOM 0 HG SER A 65 6.631 -0.484 -8.078 1.00 0.00 H new ATOM 1013 N LYS A 66 10.607 -1.191 -6.771 1.00 0.00 N ATOM 1014 CA LYS A 66 11.670 -1.716 -7.620 1.00 0.00 C ATOM 1015 C LYS A 66 12.267 -2.987 -7.029 1.00 0.00 C ATOM 1016 O LYS A 66 12.467 -3.974 -7.736 1.00 0.00 O ATOM 1017 CB LYS A 66 12.765 -0.663 -7.800 1.00 0.00 C ATOM 1018 CG LYS A 66 13.205 -0.012 -6.496 1.00 0.00 C ATOM 1019 CD LYS A 66 14.277 1.041 -6.732 1.00 0.00 C ATOM 1020 CE LYS A 66 15.654 0.414 -6.877 1.00 0.00 C ATOM 1021 NZ LYS A 66 16.704 1.214 -6.189 1.00 0.00 N ATOM 0 H LYS A 66 10.740 -0.220 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 66 11.239 -1.960 -8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.630 -1.127 -8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.406 0.110 -8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.345 0.446 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.586 -0.775 -5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 66 14.038 1.609 -7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.284 1.747 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.638 -0.595 -6.465 1.00 0.00 H new ATOM 0 HE3 LYS A 66 15.902 0.323 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.628 0.753 -6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.737 2.169 -6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.482 1.280 -5.175 1.00 0.00 H new ATOM 1035 N GLU A 67 12.559 -2.953 -5.734 1.00 0.00 N ATOM 1036 CA GLU A 67 13.114 -4.112 -5.045 1.00 0.00 C ATOM 1037 C GLU A 67 11.993 -5.014 -4.546 1.00 0.00 C ATOM 1038 O GLU A 67 12.171 -6.225 -4.385 1.00 0.00 O ATOM 1039 CB GLU A 67 13.993 -3.669 -3.875 1.00 0.00 C ATOM 1040 CG GLU A 67 15.477 -3.644 -4.205 1.00 0.00 C ATOM 1041 CD GLU A 67 16.076 -2.253 -4.106 1.00 0.00 C ATOM 1042 OE1 GLU A 67 15.310 -1.290 -3.896 1.00 0.00 O ATOM 1043 OE2 GLU A 67 17.311 -2.130 -4.240 1.00 0.00 O ATOM 0 H GLU A 67 12.421 -2.135 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 67 13.729 -4.671 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.684 -2.674 -3.555 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.828 -4.341 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 67 16.007 -4.312 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.627 -4.029 -5.214 1.00 0.00 H new ATOM 1050 N ARG A 68 10.826 -4.418 -4.332 1.00 0.00 N ATOM 1051 CA ARG A 68 9.666 -5.164 -3.868 1.00 0.00 C ATOM 1052 C ARG A 68 9.255 -6.224 -4.889 1.00 0.00 C ATOM 1053 O ARG A 68 8.821 -7.312 -4.519 1.00 0.00 O ATOM 1054 CB ARG A 68 8.495 -4.216 -3.599 1.00 0.00 C ATOM 1055 CG ARG A 68 8.441 -3.702 -2.168 1.00 0.00 C ATOM 1056 CD ARG A 68 9.541 -2.690 -1.894 1.00 0.00 C ATOM 1057 NE ARG A 68 9.005 -1.400 -1.467 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.970 -0.996 -0.200 1.00 0.00 C ATOM 1059 NH1 ARG A 68 9.437 -1.780 0.763 1.00 0.00 N ATOM 1060 NH2 ARG A 68 8.468 0.192 0.105 1.00 0.00 N ATOM 0 H ARG A 68 10.659 -3.422 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 68 9.937 -5.666 -2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.563 -3.366 -4.279 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.562 -4.732 -3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.470 -3.243 -1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.536 -4.539 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.207 -3.079 -1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.140 -2.553 -2.794 1.00 0.00 H new ATOM 0 HE ARG A 68 8.636 -0.773 -2.182 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.824 -2.695 0.533 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.409 -1.468 1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.108 0.798 -0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.442 0.500 1.077 1.00 0.00 H new ATOM 1074 N ILE A 69 9.403 -5.904 -6.176 1.00 0.00 N ATOM 1075 CA ILE A 69 9.029 -6.834 -7.241 1.00 0.00 C ATOM 1076 C ILE A 69 9.829 -8.140 -7.154 1.00 0.00 C ATOM 1077 O ILE A 69 9.241 -9.216 -7.054 1.00 0.00 O ATOM 1078 CB ILE A 69 9.200 -6.207 -8.642 1.00 0.00 C ATOM 1079 CG1 ILE A 69 8.272 -5.000 -8.802 1.00 0.00 C ATOM 1080 CG2 ILE A 69 8.920 -7.237 -9.728 1.00 0.00 C ATOM 1081 CD1 ILE A 69 8.833 -3.922 -9.704 1.00 0.00 C ATOM 0 H ILE A 69 9.777 -5.013 -6.504 1.00 0.00 H new ATOM 0 HA ILE A 69 7.973 -7.061 -7.096 1.00 0.00 H new ATOM 0 HB ILE A 69 10.232 -5.870 -8.744 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.316 -5.337 -9.203 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.072 -4.573 -7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.046 -6.776 -10.708 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.615 -8.070 -9.627 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.898 -7.603 -9.628 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.123 -3.098 -9.771 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.774 -3.557 -9.293 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.007 -4.334 -10.698 1.00 0.00 H new ATOM 1093 N PRO A 70 11.180 -8.079 -7.182 1.00 0.00 N ATOM 1094 CA PRO A 70 12.021 -9.280 -7.104 1.00 0.00 C ATOM 1095 C PRO A 70 11.664 -10.166 -5.913 1.00 0.00 C ATOM 1096 O PRO A 70 11.780 -11.390 -5.981 1.00 0.00 O ATOM 1097 CB PRO A 70 13.435 -8.721 -6.946 1.00 0.00 C ATOM 1098 CG PRO A 70 13.376 -7.373 -7.574 1.00 0.00 C ATOM 1099 CD PRO A 70 11.993 -6.851 -7.303 1.00 0.00 C ATOM 0 HA PRO A 70 11.896 -9.917 -7.980 1.00 0.00 H new ATOM 0 HB2 PRO A 70 13.722 -8.657 -5.896 1.00 0.00 H new ATOM 0 HB3 PRO A 70 14.170 -9.357 -7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 70 14.133 -6.712 -7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.568 -7.433 -8.645 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.960 -6.256 -6.390 1.00 0.00 H new ATOM 0 HD3 PRO A 70 11.639 -6.213 -8.113 1.00 0.00 H new ATOM 1107 N GLU A 71 11.220 -9.544 -4.826 1.00 0.00 N ATOM 1108 CA GLU A 71 10.850 -10.285 -3.624 1.00 0.00 C ATOM 1109 C GLU A 71 9.538 -11.043 -3.820 1.00 0.00 C ATOM 1110 O GLU A 71 9.505 -12.276 -3.770 1.00 0.00 O ATOM 1111 CB GLU A 71 10.728 -9.333 -2.433 1.00 0.00 C ATOM 1112 CG GLU A 71 12.050 -9.061 -1.737 1.00 0.00 C ATOM 1113 CD GLU A 71 12.532 -10.242 -0.917 1.00 0.00 C ATOM 1114 OE1 GLU A 71 11.681 -10.951 -0.339 1.00 0.00 O ATOM 1115 OE2 GLU A 71 13.761 -10.457 -0.851 1.00 0.00 O ATOM 0 H GLU A 71 11.108 -8.533 -4.752 1.00 0.00 H new ATOM 0 HA GLU A 71 11.637 -11.013 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.305 -8.388 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.027 -9.754 -1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.804 -8.810 -2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.942 -8.192 -1.087 1.00 0.00 H new ATOM 1122 N THR A 72 8.457 -10.300 -4.033 1.00 0.00 N ATOM 1123 CA THR A 72 7.141 -10.901 -4.209 1.00 0.00 C ATOM 1124 C THR A 72 7.130 -11.891 -5.368 1.00 0.00 C ATOM 1125 O THR A 72 6.347 -12.837 -5.372 1.00 0.00 O ATOM 1126 CB THR A 72 6.081 -9.822 -4.441 1.00 0.00 C ATOM 1127 OG1 THR A 72 6.629 -8.531 -4.252 1.00 0.00 O ATOM 1128 CG2 THR A 72 4.887 -9.951 -3.523 1.00 0.00 C ATOM 0 H THR A 72 8.467 -9.282 -4.088 1.00 0.00 H new ATOM 0 HA THR A 72 6.906 -11.443 -3.293 1.00 0.00 H new ATOM 0 HB THR A 72 5.747 -9.962 -5.469 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.819 -8.392 -3.301 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.174 -9.156 -3.740 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.410 -10.919 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.215 -9.872 -2.486 1.00 0.00 H new ATOM 1136 N VAL A 73 7.995 -11.669 -6.356 1.00 0.00 N ATOM 1137 CA VAL A 73 8.059 -12.558 -7.511 1.00 0.00 C ATOM 1138 C VAL A 73 8.732 -13.874 -7.144 1.00 0.00 C ATOM 1139 O VAL A 73 8.413 -14.921 -7.708 1.00 0.00 O ATOM 1140 CB VAL A 73 8.785 -11.911 -8.708 1.00 0.00 C ATOM 1141 CG1 VAL A 73 10.289 -11.881 -8.486 1.00 0.00 C ATOM 1142 CG2 VAL A 73 8.447 -12.649 -9.995 1.00 0.00 C ATOM 0 H VAL A 73 8.653 -10.890 -6.380 1.00 0.00 H new ATOM 0 HA VAL A 73 7.030 -12.753 -7.815 1.00 0.00 H new ATOM 0 HB VAL A 73 8.440 -10.881 -8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.775 -11.420 -9.346 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.513 -11.303 -7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.659 -12.899 -8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.967 -12.180 -10.830 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.760 -13.690 -9.911 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.372 -12.606 -10.167 1.00 0.00 H new ATOM 1152 N LYS A 74 9.640 -13.821 -6.173 1.00 0.00 N ATOM 1153 CA LYS A 74 10.298 -15.028 -5.693 1.00 0.00 C ATOM 1154 C LYS A 74 9.244 -15.998 -5.181 1.00 0.00 C ATOM 1155 O LYS A 74 9.291 -17.196 -5.463 1.00 0.00 O ATOM 1156 CB LYS A 74 11.295 -14.692 -4.582 1.00 0.00 C ATOM 1157 CG LYS A 74 12.293 -15.804 -4.303 1.00 0.00 C ATOM 1158 CD LYS A 74 13.450 -15.776 -5.291 1.00 0.00 C ATOM 1159 CE LYS A 74 14.630 -14.986 -4.749 1.00 0.00 C ATOM 1160 NZ LYS A 74 15.546 -15.837 -3.941 1.00 0.00 N ATOM 0 H LYS A 74 9.934 -12.962 -5.708 1.00 0.00 H new ATOM 0 HA LYS A 74 10.850 -15.488 -6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.839 -13.787 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.746 -14.470 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.677 -15.703 -3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.789 -16.769 -4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.765 -16.796 -5.512 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.117 -15.335 -6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.182 -14.544 -5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.264 -14.163 -4.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.337 -15.260 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.026 -16.238 -3.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.916 -16.608 -4.533 1.00 0.00 H new ATOM 1174 N LYS A 75 8.260 -15.451 -4.473 1.00 0.00 N ATOM 1175 CA LYS A 75 7.145 -16.243 -3.969 1.00 0.00 C ATOM 1176 C LYS A 75 6.008 -16.266 -4.989 1.00 0.00 C ATOM 1177 O LYS A 75 5.815 -17.254 -5.698 1.00 0.00 O ATOM 1178 CB LYS A 75 6.642 -15.679 -2.638 1.00 0.00 C ATOM 1179 CG LYS A 75 7.738 -15.078 -1.772 1.00 0.00 C ATOM 1180 CD LYS A 75 7.506 -13.596 -1.527 1.00 0.00 C ATOM 1181 CE LYS A 75 6.351 -13.362 -0.566 1.00 0.00 C ATOM 1182 NZ LYS A 75 6.596 -13.990 0.762 1.00 0.00 N ATOM 0 H LYS A 75 8.213 -14.460 -4.236 1.00 0.00 H new ATOM 0 HA LYS A 75 7.495 -17.262 -3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.891 -14.915 -2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.147 -16.475 -2.081 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.778 -15.603 -0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.704 -15.221 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.413 -13.147 -1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.299 -13.098 -2.474 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.197 -12.291 -0.438 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.434 -13.767 -0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.972 -13.556 1.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.400 -15.010 0.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.588 -13.843 1.038 1.00 0.00 H new ATOM 1196 N LEU A 76 5.243 -15.177 -5.037 1.00 0.00 N ATOM 1197 CA LEU A 76 4.140 -15.050 -5.987 1.00 0.00 C ATOM 1198 C LEU A 76 4.567 -14.234 -7.206 1.00 0.00 C ATOM 1199 O LEU A 76 5.168 -14.764 -8.140 1.00 0.00 O ATOM 1200 CB LEU A 76 2.922 -14.399 -5.321 1.00 0.00 C ATOM 1201 CG LEU A 76 3.236 -13.410 -4.197 1.00 0.00 C ATOM 1202 CD1 LEU A 76 2.400 -12.148 -4.351 1.00 0.00 C ATOM 1203 CD2 LEU A 76 2.992 -14.050 -2.839 1.00 0.00 C ATOM 0 H LEU A 76 5.367 -14.368 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 76 3.864 -16.052 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.345 -13.881 -6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.284 -15.187 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 76 4.289 -13.136 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.635 -11.455 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.623 -11.678 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.342 -12.406 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.221 -13.332 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.948 -14.353 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.633 -14.925 -2.729 1.00 0.00 H new ATOM 1215 N GLY A 77 4.249 -12.941 -7.185 1.00 0.00 N ATOM 1216 CA GLY A 77 4.611 -12.060 -8.279 1.00 0.00 C ATOM 1217 C GLY A 77 4.950 -10.663 -7.798 1.00 0.00 C ATOM 1218 O GLY A 77 6.122 -10.305 -7.684 1.00 0.00 O ATOM 0 H GLY A 77 3.744 -12.488 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.466 -12.477 -8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.786 -12.008 -8.990 1.00 0.00 H new ATOM 1222 N HIS A 78 3.922 -9.865 -7.525 1.00 0.00 N ATOM 1223 CA HIS A 78 4.122 -8.505 -7.040 1.00 0.00 C ATOM 1224 C HIS A 78 3.016 -8.107 -6.066 1.00 0.00 C ATOM 1225 O HIS A 78 1.934 -8.695 -6.067 1.00 0.00 O ATOM 1226 CB HIS A 78 4.176 -7.523 -8.210 1.00 0.00 C ATOM 1227 CG HIS A 78 3.465 -8.008 -9.437 1.00 0.00 C ATOM 1228 ND1 HIS A 78 2.193 -8.525 -9.371 1.00 0.00 N ATOM 1229 CD2 HIS A 78 3.887 -8.032 -10.725 1.00 0.00 C ATOM 1230 CE1 HIS A 78 1.870 -8.851 -10.610 1.00 0.00 C ATOM 1231 NE2 HIS A 78 2.866 -8.570 -11.462 1.00 0.00 N ATOM 0 H HIS A 78 2.945 -10.137 -7.631 1.00 0.00 H new ATOM 0 HA HIS A 78 5.074 -8.471 -6.510 1.00 0.00 H new ATOM 0 HB2 HIS A 78 3.738 -6.575 -7.898 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.219 -7.325 -8.459 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.842 -7.693 -11.097 1.00 0.00 H new ATOM 0 HE1 HIS A 78 0.925 -9.288 -10.899 1.00 0.00 H new ATOM 0 HE2 HIS A 78 2.864 -8.727 -12.470 1.00 0.00 H new ATOM 1239 N GLU A 79 3.298 -7.109 -5.234 1.00 0.00 N ATOM 1240 CA GLU A 79 2.339 -6.621 -4.267 1.00 0.00 C ATOM 1241 C GLU A 79 1.742 -5.308 -4.750 1.00 0.00 C ATOM 1242 O GLU A 79 1.823 -4.289 -4.071 1.00 0.00 O ATOM 1243 CB GLU A 79 3.030 -6.428 -2.915 1.00 0.00 C ATOM 1244 CG GLU A 79 4.542 -6.590 -2.966 1.00 0.00 C ATOM 1245 CD GLU A 79 5.137 -6.945 -1.618 1.00 0.00 C ATOM 1246 OE1 GLU A 79 4.740 -7.983 -1.048 1.00 0.00 O ATOM 1247 OE2 GLU A 79 6.001 -6.184 -1.133 1.00 0.00 O ATOM 0 H GLU A 79 4.194 -6.623 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 79 1.535 -7.348 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.794 -5.434 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.621 -7.146 -2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.796 -7.367 -3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.991 -5.664 -3.324 1.00 0.00 H new ATOM 1254 N VAL A 80 1.157 -5.335 -5.942 1.00 0.00 N ATOM 1255 CA VAL A 80 0.585 -4.133 -6.536 1.00 0.00 C ATOM 1256 C VAL A 80 -0.919 -4.078 -6.327 1.00 0.00 C ATOM 1257 O VAL A 80 -1.645 -5.001 -6.697 1.00 0.00 O ATOM 1258 CB VAL A 80 0.877 -4.046 -8.048 1.00 0.00 C ATOM 1259 CG1 VAL A 80 1.427 -2.675 -8.404 1.00 0.00 C ATOM 1260 CG2 VAL A 80 1.838 -5.144 -8.482 1.00 0.00 C ATOM 0 H VAL A 80 1.067 -6.174 -6.515 1.00 0.00 H new ATOM 0 HA VAL A 80 1.056 -3.288 -6.034 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.060 -4.191 -8.585 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.628 -2.630 -9.474 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.697 -1.910 -8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.352 -2.500 -7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.027 -5.060 -9.552 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.777 -5.041 -7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.399 -6.118 -8.267 1.00 0.00 H new ATOM 1270 N LEU A 81 -1.385 -2.977 -5.748 1.00 0.00 N ATOM 1271 CA LEU A 81 -2.805 -2.793 -5.495 1.00 0.00 C ATOM 1272 C LEU A 81 -3.262 -1.409 -5.931 1.00 0.00 C ATOM 1273 O LEU A 81 -4.367 -1.246 -6.447 1.00 0.00 O ATOM 1274 CB LEU A 81 -3.122 -3.014 -4.012 1.00 0.00 C ATOM 1275 CG LEU A 81 -2.753 -1.849 -3.090 1.00 0.00 C ATOM 1276 CD1 LEU A 81 -4.003 -1.105 -2.646 1.00 0.00 C ATOM 1277 CD2 LEU A 81 -1.969 -2.348 -1.886 1.00 0.00 C ATOM 0 H LEU A 81 -0.798 -2.199 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.349 -3.533 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.189 -3.214 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.596 -3.907 -3.673 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.121 -1.156 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.722 -0.280 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.523 -0.713 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.661 -1.788 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.716 -1.506 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.575 -3.062 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.054 -2.834 -2.224 1.00 0.00 H new ATOM 1289 N GLU A 82 -2.404 -0.415 -5.731 1.00 0.00 N ATOM 1290 CA GLU A 82 -2.740 0.952 -6.116 1.00 0.00 C ATOM 1291 C GLU A 82 -1.493 1.776 -6.418 1.00 0.00 C ATOM 1292 O GLU A 82 -0.461 1.623 -5.768 1.00 0.00 O ATOM 1293 CB GLU A 82 -3.562 1.628 -5.018 1.00 0.00 C ATOM 1294 CG GLU A 82 -4.821 2.307 -5.532 1.00 0.00 C ATOM 1295 CD GLU A 82 -4.749 3.819 -5.443 1.00 0.00 C ATOM 1296 OE1 GLU A 82 -3.935 4.418 -6.176 1.00 0.00 O ATOM 1297 OE2 GLU A 82 -5.511 4.403 -4.643 1.00 0.00 O ATOM 0 H GLU A 82 -1.482 -0.526 -5.310 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.334 0.899 -7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.840 0.883 -4.272 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.940 2.368 -4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.988 2.016 -6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.679 1.954 -4.959 1.00 0.00 H new ATOM 1304 N ILE A 83 -1.605 2.655 -7.411 1.00 0.00 N ATOM 1305 CA ILE A 83 -0.504 3.533 -7.800 1.00 0.00 C ATOM 1306 C ILE A 83 -1.037 4.905 -8.204 1.00 0.00 C ATOM 1307 O ILE A 83 -2.053 5.005 -8.893 1.00 0.00 O ATOM 1308 CB ILE A 83 0.311 2.943 -8.971 1.00 0.00 C ATOM 1309 CG1 ILE A 83 0.791 1.530 -8.634 1.00 0.00 C ATOM 1310 CG2 ILE A 83 1.495 3.840 -9.299 1.00 0.00 C ATOM 1311 CD1 ILE A 83 0.009 0.443 -9.337 1.00 0.00 C ATOM 0 H ILE A 83 -2.453 2.778 -7.964 1.00 0.00 H new ATOM 0 HA ILE A 83 0.153 3.629 -6.935 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.336 2.888 -9.846 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.844 1.439 -8.901 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.721 1.378 -7.557 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.059 3.410 -10.127 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.135 4.829 -9.581 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.141 3.924 -8.425 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.404 -0.532 -9.051 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.041 0.507 -9.051 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.100 0.569 -10.416 1.00 0.00 H new ATOM 1323 N GLU A 84 -0.357 5.960 -7.764 1.00 0.00 N ATOM 1324 CA GLU A 84 -0.780 7.321 -8.076 1.00 0.00 C ATOM 1325 C GLU A 84 0.405 8.279 -8.082 1.00 0.00 C ATOM 1326 O GLU A 84 1.533 7.894 -7.777 1.00 0.00 O ATOM 1327 CB GLU A 84 -1.826 7.794 -7.063 1.00 0.00 C ATOM 1328 CG GLU A 84 -1.427 7.548 -5.616 1.00 0.00 C ATOM 1329 CD GLU A 84 -2.615 7.228 -4.730 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -3.486 8.106 -4.564 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -2.673 6.097 -4.202 1.00 0.00 O ATOM 0 H GLU A 84 0.486 5.899 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.220 7.316 -9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.002 8.860 -7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.769 7.285 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.715 6.724 -5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.917 8.430 -5.229 1.00 0.00 H new ATOM 1338 N GLU A 85 0.133 9.534 -8.427 1.00 0.00 N ATOM 1339 CA GLU A 85 1.170 10.559 -8.478 1.00 0.00 C ATOM 1340 C GLU A 85 0.702 11.834 -7.783 1.00 0.00 C ATOM 1341 O GLU A 85 -0.491 12.015 -7.535 1.00 0.00 O ATOM 1342 CB GLU A 85 1.549 10.870 -9.929 1.00 0.00 C ATOM 1343 CG GLU A 85 1.288 9.722 -10.893 1.00 0.00 C ATOM 1344 CD GLU A 85 2.408 8.700 -10.903 1.00 0.00 C ATOM 1345 OE1 GLU A 85 3.578 9.104 -11.069 1.00 0.00 O ATOM 1346 OE2 GLU A 85 2.114 7.497 -10.745 1.00 0.00 O ATOM 0 H GLU A 85 -0.799 9.866 -8.676 1.00 0.00 H new ATOM 0 HA GLU A 85 2.048 10.176 -7.957 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.990 11.745 -10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.606 11.133 -9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.355 9.229 -10.621 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.156 10.121 -11.899 1.00 0.00 H new ATOM 1353 N VAL A 86 1.649 12.711 -7.463 1.00 0.00 N ATOM 1354 CA VAL A 86 1.333 13.963 -6.784 1.00 0.00 C ATOM 1355 C VAL A 86 1.918 15.161 -7.528 1.00 0.00 C ATOM 1356 O VAL A 86 1.182 15.994 -8.056 1.00 0.00 O ATOM 1357 CB VAL A 86 1.864 13.969 -5.337 1.00 0.00 C ATOM 1358 CG1 VAL A 86 1.155 15.034 -4.514 1.00 0.00 C ATOM 1359 CG2 VAL A 86 1.706 12.597 -4.699 1.00 0.00 C ATOM 0 H VAL A 86 2.640 12.578 -7.663 1.00 0.00 H new ATOM 0 HA VAL A 86 0.246 14.043 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 86 2.927 14.208 -5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.542 15.024 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.329 16.014 -4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.085 14.828 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.087 12.624 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.652 12.321 -4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.266 11.861 -5.276 1.00 0.00 H new ATOM 1369 N GLY A 87 3.245 15.243 -7.554 1.00 0.00 N ATOM 1370 CA GLY A 87 3.905 16.349 -8.223 1.00 0.00 C ATOM 1371 C GLY A 87 4.869 15.889 -9.302 1.00 0.00 C ATOM 1372 O GLY A 87 4.581 14.936 -10.026 1.00 0.00 O ATOM 0 H GLY A 87 3.874 14.564 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.153 17.001 -8.667 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.447 16.943 -7.487 1.00 0.00 H new ATOM 1376 N PRO A 88 6.032 16.553 -9.436 1.00 0.00 N ATOM 1377 CA PRO A 88 7.035 16.200 -10.449 1.00 0.00 C ATOM 1378 C PRO A 88 7.522 14.760 -10.306 1.00 0.00 C ATOM 1379 O PRO A 88 7.016 13.856 -10.971 1.00 0.00 O ATOM 1380 CB PRO A 88 8.181 17.185 -10.192 1.00 0.00 C ATOM 1381 CG PRO A 88 7.562 18.312 -9.438 1.00 0.00 C ATOM 1382 CD PRO A 88 6.459 17.704 -8.621 1.00 0.00 C ATOM 0 HA PRO A 88 6.628 16.264 -11.458 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.981 16.718 -9.617 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.621 17.531 -11.127 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.295 18.804 -8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 88 7.172 19.070 -10.118 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.811 17.393 -7.638 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.643 18.408 -8.459 1.00 0.00 H new ATOM 1390 N SER A 89 8.508 14.553 -9.436 1.00 0.00 N ATOM 1391 CA SER A 89 9.062 13.222 -9.213 1.00 0.00 C ATOM 1392 C SER A 89 8.487 12.596 -7.950 1.00 0.00 C ATOM 1393 O SER A 89 8.816 11.462 -7.602 1.00 0.00 O ATOM 1394 CB SER A 89 10.587 13.289 -9.113 1.00 0.00 C ATOM 1395 OG SER A 89 10.991 13.964 -7.934 1.00 0.00 O ATOM 0 H SER A 89 8.938 15.289 -8.876 1.00 0.00 H new ATOM 0 HA SER A 89 8.788 12.598 -10.063 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.000 12.280 -9.118 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.990 13.802 -9.986 1.00 0.00 H new ATOM 0 HG SER A 89 11.970 13.992 -7.892 1.00 0.00 H new ATOM 1401 N GLU A 90 7.627 13.343 -7.269 1.00 0.00 N ATOM 1402 CA GLU A 90 6.998 12.863 -6.043 1.00 0.00 C ATOM 1403 C GLU A 90 5.670 12.180 -6.347 1.00 0.00 C ATOM 1404 O GLU A 90 4.813 12.745 -7.024 1.00 0.00 O ATOM 1405 CB GLU A 90 6.779 14.021 -5.067 1.00 0.00 C ATOM 1406 CG GLU A 90 6.269 15.291 -5.731 1.00 0.00 C ATOM 1407 CD GLU A 90 5.634 16.252 -4.744 1.00 0.00 C ATOM 1408 OE1 GLU A 90 5.007 15.777 -3.773 1.00 0.00 O ATOM 1409 OE2 GLU A 90 5.763 17.477 -4.942 1.00 0.00 O ATOM 0 H GLU A 90 7.348 14.285 -7.545 1.00 0.00 H new ATOM 0 HA GLU A 90 7.665 12.134 -5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.067 13.710 -4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.718 14.239 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.096 15.789 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.539 15.028 -6.497 1.00 0.00 H new ATOM 1416 N TRP A 91 5.505 10.960 -5.842 1.00 0.00 N ATOM 1417 CA TRP A 91 4.279 10.204 -6.071 1.00 0.00 C ATOM 1418 C TRP A 91 3.984 9.263 -4.907 1.00 0.00 C ATOM 1419 O TRP A 91 4.811 9.085 -4.011 1.00 0.00 O ATOM 1420 CB TRP A 91 4.380 9.405 -7.372 1.00 0.00 C ATOM 1421 CG TRP A 91 5.778 8.988 -7.713 1.00 0.00 C ATOM 1422 CD1 TRP A 91 6.570 8.126 -7.012 1.00 0.00 C ATOM 1423 CD2 TRP A 91 6.548 9.417 -8.841 1.00 0.00 C ATOM 1424 NE1 TRP A 91 7.786 7.991 -7.636 1.00 0.00 N ATOM 1425 CE2 TRP A 91 7.798 8.774 -8.761 1.00 0.00 C ATOM 1426 CE3 TRP A 91 6.302 10.281 -9.912 1.00 0.00 C ATOM 1427 CZ2 TRP A 91 8.798 8.969 -9.711 1.00 0.00 C ATOM 1428 CZ3 TRP A 91 7.295 10.475 -10.853 1.00 0.00 C ATOM 1429 CH2 TRP A 91 8.529 9.822 -10.748 1.00 0.00 C ATOM 0 H TRP A 91 6.201 10.477 -5.275 1.00 0.00 H new ATOM 0 HA TRP A 91 3.459 10.918 -6.151 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.754 8.516 -7.292 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.979 10.005 -8.189 1.00 0.00 H new ATOM 0 HD1 TRP A 91 6.283 7.624 -6.100 1.00 0.00 H new ATOM 0 HE1 TRP A 91 8.555 7.403 -7.314 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.353 10.788 -10.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 9.750 8.466 -9.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.116 11.142 -11.684 1.00 0.00 H new ATOM 0 HH2 TRP A 91 9.284 9.995 -11.500 1.00 0.00 H new ATOM 1440 N LYS A 92 2.797 8.666 -4.934 1.00 0.00 N ATOM 1441 CA LYS A 92 2.379 7.739 -3.890 1.00 0.00 C ATOM 1442 C LYS A 92 2.057 6.372 -4.487 1.00 0.00 C ATOM 1443 O LYS A 92 1.498 6.279 -5.579 1.00 0.00 O ATOM 1444 CB LYS A 92 1.156 8.293 -3.156 1.00 0.00 C ATOM 1445 CG LYS A 92 0.558 7.325 -2.149 1.00 0.00 C ATOM 1446 CD LYS A 92 -0.864 7.715 -1.779 1.00 0.00 C ATOM 1447 CE LYS A 92 -1.100 7.605 -0.281 1.00 0.00 C ATOM 1448 NZ LYS A 92 -2.202 8.495 0.174 1.00 0.00 N ATOM 0 H LYS A 92 2.106 8.809 -5.670 1.00 0.00 H new ATOM 0 HA LYS A 92 3.198 7.623 -3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.438 9.211 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.394 8.559 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.564 6.317 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.176 7.304 -1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.059 8.737 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.568 7.072 -2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.339 6.572 -0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.184 7.861 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.825 9.203 0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.621 8.977 -0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.931 7.928 0.652 1.00 0.00 H new ATOM 1462 N ILE A 93 2.423 5.316 -3.768 1.00 0.00 N ATOM 1463 CA ILE A 93 2.181 3.955 -4.233 1.00 0.00 C ATOM 1464 C ILE A 93 1.535 3.107 -3.143 1.00 0.00 C ATOM 1465 O ILE A 93 1.525 3.485 -1.970 1.00 0.00 O ATOM 1466 CB ILE A 93 3.487 3.271 -4.690 1.00 0.00 C ATOM 1467 CG1 ILE A 93 4.445 4.296 -5.302 1.00 0.00 C ATOM 1468 CG2 ILE A 93 3.188 2.161 -5.688 1.00 0.00 C ATOM 1469 CD1 ILE A 93 5.489 4.803 -4.332 1.00 0.00 C ATOM 0 H ILE A 93 2.888 5.376 -2.862 1.00 0.00 H new ATOM 0 HA ILE A 93 1.503 4.031 -5.083 1.00 0.00 H new ATOM 0 HB ILE A 93 3.966 2.830 -3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.946 3.846 -6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.868 5.142 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.121 1.690 -5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.544 1.416 -5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 93 2.685 2.581 -6.559 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.132 5.525 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.997 5.282 -3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.091 3.967 -3.976 1.00 0.00 H new ATOM 1481 N TYR A 94 0.996 1.961 -3.540 1.00 0.00 N ATOM 1482 CA TYR A 94 0.371 1.035 -2.604 1.00 0.00 C ATOM 1483 C TYR A 94 0.864 -0.383 -2.866 1.00 0.00 C ATOM 1484 O TYR A 94 0.763 -0.885 -3.990 1.00 0.00 O ATOM 1485 CB TYR A 94 -1.152 1.098 -2.722 1.00 0.00 C ATOM 1486 CG TYR A 94 -1.791 2.139 -1.831 1.00 0.00 C ATOM 1487 CD1 TYR A 94 -1.723 3.490 -2.149 1.00 0.00 C ATOM 1488 CD2 TYR A 94 -2.471 1.770 -0.677 1.00 0.00 C ATOM 1489 CE1 TYR A 94 -2.308 4.444 -1.339 1.00 0.00 C ATOM 1490 CE2 TYR A 94 -3.059 2.719 0.138 1.00 0.00 C ATOM 1491 CZ TYR A 94 -2.975 4.054 -0.198 1.00 0.00 C ATOM 1492 OH TYR A 94 -3.560 5.001 0.611 1.00 0.00 O ATOM 0 H TYR A 94 0.979 1.649 -4.511 1.00 0.00 H new ATOM 0 HA TYR A 94 0.648 1.324 -1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.418 1.307 -3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.567 0.120 -2.477 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.204 3.799 -3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.541 0.725 -0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.243 5.490 -1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.582 2.417 1.033 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.930 5.265 1.314 1.00 0.00 H new ATOM 1502 N ILE A 95 1.374 -1.026 -1.817 1.00 0.00 N ATOM 1503 CA ILE A 95 1.943 -2.363 -1.925 1.00 0.00 C ATOM 1504 C ILE A 95 1.260 -3.304 -0.938 1.00 0.00 C ATOM 1505 O ILE A 95 0.830 -2.872 0.131 1.00 0.00 O ATOM 1506 CB ILE A 95 3.462 -2.319 -1.635 1.00 0.00 C ATOM 1507 CG1 ILE A 95 4.213 -1.673 -2.807 1.00 0.00 C ATOM 1508 CG2 ILE A 95 4.014 -3.706 -1.343 1.00 0.00 C ATOM 1509 CD1 ILE A 95 4.187 -2.489 -4.083 1.00 0.00 C ATOM 0 H ILE A 95 1.403 -0.636 -0.875 1.00 0.00 H new ATOM 0 HA ILE A 95 1.783 -2.730 -2.939 1.00 0.00 H new ATOM 0 HB ILE A 95 3.614 -1.710 -0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.780 -0.693 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.250 -1.509 -2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.083 -3.637 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.509 -4.123 -0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.846 -4.353 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.739 -1.964 -4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.648 -3.460 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.155 -2.631 -4.403 1.00 0.00 H new ATOM 1521 N LYS A 96 1.096 -4.577 -1.309 1.00 0.00 N ATOM 1522 CA LYS A 96 0.420 -5.513 -0.412 1.00 0.00 C ATOM 1523 C LYS A 96 0.903 -6.952 -0.580 1.00 0.00 C ATOM 1524 O LYS A 96 0.784 -7.553 -1.648 1.00 0.00 O ATOM 1525 CB LYS A 96 -1.105 -5.418 -0.585 1.00 0.00 C ATOM 1526 CG LYS A 96 -1.690 -6.348 -1.637 1.00 0.00 C ATOM 1527 CD LYS A 96 -1.246 -5.964 -3.037 1.00 0.00 C ATOM 1528 CE LYS A 96 -2.261 -6.402 -4.079 1.00 0.00 C ATOM 1529 NZ LYS A 96 -1.898 -7.711 -4.688 1.00 0.00 N ATOM 0 H LYS A 96 1.411 -4.972 -2.195 1.00 0.00 H new ATOM 0 HA LYS A 96 0.679 -5.221 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.579 -5.633 0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.363 -4.391 -0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.384 -7.373 -1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.778 -6.322 -1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.107 -4.884 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.280 -6.421 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.246 -6.476 -3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.330 -5.645 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.614 -7.976 -5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.969 -7.634 -5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.857 -8.439 -3.947 1.00 0.00 H new ATOM 1543 N VAL A 97 1.431 -7.507 0.502 1.00 0.00 N ATOM 1544 CA VAL A 97 1.899 -8.885 0.504 1.00 0.00 C ATOM 1545 C VAL A 97 0.716 -9.843 0.508 1.00 0.00 C ATOM 1546 O VAL A 97 -0.196 -9.706 1.324 1.00 0.00 O ATOM 1547 CB VAL A 97 2.789 -9.178 1.727 1.00 0.00 C ATOM 1548 CG1 VAL A 97 3.413 -10.561 1.619 1.00 0.00 C ATOM 1549 CG2 VAL A 97 3.863 -8.111 1.877 1.00 0.00 C ATOM 0 H VAL A 97 1.546 -7.022 1.392 1.00 0.00 H new ATOM 0 HA VAL A 97 2.491 -9.030 -0.400 1.00 0.00 H new ATOM 0 HB VAL A 97 2.162 -9.157 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.037 -10.748 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.625 -11.313 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 97 4.024 -10.615 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.481 -8.336 2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.487 -8.094 0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.392 -7.137 2.009 1.00 0.00 H new ATOM 1559 N LYS A 98 0.723 -10.792 -0.423 1.00 0.00 N ATOM 1560 CA LYS A 98 -0.355 -11.768 -0.530 1.00 0.00 C ATOM 1561 C LYS A 98 -0.068 -12.993 0.331 1.00 0.00 C ATOM 1562 O LYS A 98 -1.018 -13.758 0.606 1.00 0.00 O ATOM 1563 CB LYS A 98 -0.548 -12.187 -1.988 1.00 0.00 C ATOM 1564 CG LYS A 98 -2.007 -12.273 -2.407 1.00 0.00 C ATOM 1565 CD LYS A 98 -2.146 -12.536 -3.898 1.00 0.00 C ATOM 1566 CE LYS A 98 -3.605 -12.602 -4.319 1.00 0.00 C ATOM 1567 NZ LYS A 98 -4.154 -13.982 -4.205 1.00 0.00 N ATOM 1568 OXT LYS A 98 1.103 -13.180 0.722 1.00 0.00 O ATOM 0 H LYS A 98 1.464 -10.906 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.272 -11.301 -0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.034 -11.474 -2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.076 -13.157 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.500 -13.069 -1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.515 -11.343 -2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.641 -11.748 -4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.651 -13.473 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.193 -11.925 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.702 -12.257 -5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.151 -13.985 -4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.610 -14.624 -4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.085 -14.303 -3.218 1.00 0.00 H new