USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HD1:sc= -0.0472 K(o=-0.13,f=-0.88) USER MOD Set 1.2: A 100 MET CE :methyl -177:sc= -0.0857 (180deg=-0.129) USER MOD Single : A 35 GLN : amide:sc= -0.891 X(o=-0.89,f=-0.89) USER MOD Single : A 41 CYS SG : rot 23:sc= 0.048 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 97:sc= -3.95! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 44:sc= 0.338 USER MOD Single : A 55 THR OG1 : rot -39:sc= -0.433! USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -2.01 USER MOD Single : A 70 ASN : amide:sc= -0.366 K(o=-0.37,f=-9.1!) USER MOD Single : A 74 THR OG1 : rot 31:sc= 0.36 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A 86 SER OG : rot -83:sc= 0.011 USER MOD Single : A 91 GLN : amide:sc= -0.244 K(o=-0.24,f=-2.4!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0.00333 USER MOD Single : A 106 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.5) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 525 N GLN A 35 7.182 -10.820 -1.313 1.00 0.00 N ATOM 526 CA GLN A 35 6.284 -9.628 -1.287 1.00 0.00 C ATOM 527 C GLN A 35 4.834 -10.066 -1.062 1.00 0.00 C ATOM 528 O GLN A 35 4.389 -11.066 -1.590 1.00 0.00 O ATOM 529 CB GLN A 35 6.442 -8.979 -2.662 1.00 0.00 C ATOM 530 CG GLN A 35 5.704 -7.640 -2.682 1.00 0.00 C ATOM 531 CD GLN A 35 5.711 -7.070 -4.101 1.00 0.00 C ATOM 532 OE1 GLN A 35 6.410 -6.119 -4.384 1.00 0.00 O ATOM 533 NE2 GLN A 35 4.956 -7.618 -5.013 1.00 0.00 N ATOM 0 HA GLN A 35 6.537 -8.938 -0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.498 -8.828 -2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.044 -9.637 -3.434 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.678 -7.774 -2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.181 -6.940 -1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.368 -8.417 -4.776 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.953 -7.247 -5.963 1.00 0.00 H new ATOM 542 N ARG A 36 4.094 -9.323 -0.282 1.00 0.00 N ATOM 543 CA ARG A 36 2.675 -9.698 -0.020 1.00 0.00 C ATOM 544 C ARG A 36 1.801 -8.436 0.048 1.00 0.00 C ATOM 545 O ARG A 36 2.178 -7.460 0.665 1.00 0.00 O ATOM 546 CB ARG A 36 2.698 -10.404 1.335 1.00 0.00 C ATOM 547 CG ARG A 36 1.467 -11.303 1.469 1.00 0.00 C ATOM 548 CD ARG A 36 1.646 -12.549 0.600 1.00 0.00 C ATOM 549 NE ARG A 36 1.053 -13.662 1.393 1.00 0.00 N ATOM 550 CZ ARG A 36 1.830 -14.504 2.017 1.00 0.00 C ATOM 551 NH1 ARG A 36 2.536 -15.368 1.341 1.00 0.00 N ATOM 552 NH2 ARG A 36 1.899 -14.483 3.320 1.00 0.00 N ATOM 0 H ARG A 36 4.411 -8.473 0.184 1.00 0.00 H new ATOM 0 HA ARG A 36 2.262 -10.332 -0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.607 -10.998 1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.712 -9.668 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.326 -11.591 2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.572 -10.760 1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.142 -12.436 -0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.699 -12.734 0.387 1.00 0.00 H new ATOM 0 HE ARG A 36 0.040 -13.766 1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.481 -15.386 0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.143 -16.025 1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.346 -13.809 3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.506 -15.141 3.809 1.00 0.00 H new ATOM 566 N PRO A 37 0.656 -8.494 -0.591 1.00 0.00 N ATOM 567 CA PRO A 37 -0.266 -7.332 -0.590 1.00 0.00 C ATOM 568 C PRO A 37 -0.931 -7.184 0.781 1.00 0.00 C ATOM 569 O PRO A 37 -1.788 -7.960 1.154 1.00 0.00 O ATOM 570 CB PRO A 37 -1.296 -7.687 -1.658 1.00 0.00 C ATOM 571 CG PRO A 37 -1.274 -9.180 -1.737 1.00 0.00 C ATOM 572 CD PRO A 37 0.118 -9.623 -1.362 1.00 0.00 C ATOM 0 HA PRO A 37 0.236 -6.386 -0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.287 -7.321 -1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.040 -7.237 -2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.011 -9.612 -1.061 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.528 -9.516 -2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.099 -10.538 -0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.723 -9.827 -2.245 1.00 0.00 H new ATOM 580 N PHE A 38 -0.539 -6.192 1.535 1.00 0.00 N ATOM 581 CA PHE A 38 -1.146 -5.994 2.884 1.00 0.00 C ATOM 582 C PHE A 38 -2.190 -4.877 2.835 1.00 0.00 C ATOM 583 O PHE A 38 -1.867 -3.720 2.649 1.00 0.00 O ATOM 584 CB PHE A 38 0.023 -5.597 3.787 1.00 0.00 C ATOM 585 CG PHE A 38 0.818 -6.828 4.149 1.00 0.00 C ATOM 586 CD1 PHE A 38 0.202 -7.883 4.831 1.00 0.00 C ATOM 587 CD2 PHE A 38 2.173 -6.912 3.805 1.00 0.00 C ATOM 588 CE1 PHE A 38 0.940 -9.026 5.167 1.00 0.00 C ATOM 589 CE2 PHE A 38 2.910 -8.054 4.142 1.00 0.00 C ATOM 590 CZ PHE A 38 2.294 -9.110 4.822 1.00 0.00 C ATOM 0 H PHE A 38 0.174 -5.511 1.276 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.655 -6.888 3.244 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.661 -4.875 3.278 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.349 -5.112 4.690 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.842 -7.817 5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.649 -6.097 3.280 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.464 -9.841 5.692 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.955 -8.120 3.877 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.863 -9.990 5.081 1.00 0.00 H new ATOM 600 N ARG A 39 -3.441 -5.216 3.001 1.00 0.00 N ATOM 601 CA ARG A 39 -4.507 -4.173 2.965 1.00 0.00 C ATOM 602 C ARG A 39 -4.405 -3.271 4.199 1.00 0.00 C ATOM 603 O ARG A 39 -4.485 -3.728 5.323 1.00 0.00 O ATOM 604 CB ARG A 39 -5.825 -4.945 2.973 1.00 0.00 C ATOM 605 CG ARG A 39 -6.990 -3.967 2.812 1.00 0.00 C ATOM 606 CD ARG A 39 -8.308 -4.743 2.765 1.00 0.00 C ATOM 607 NE ARG A 39 -8.313 -5.411 1.435 1.00 0.00 N ATOM 608 CZ ARG A 39 -8.766 -6.630 1.319 1.00 0.00 C ATOM 609 NH1 ARG A 39 -10.042 -6.867 1.457 1.00 0.00 N ATOM 610 NH2 ARG A 39 -7.943 -7.610 1.066 1.00 0.00 N ATOM 0 H ARG A 39 -3.770 -6.168 3.160 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.421 -3.528 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.836 -5.676 2.164 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.928 -5.500 3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.002 -3.260 3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.866 -3.385 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.366 -5.472 3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.163 -4.076 2.875 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.963 -4.917 0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.685 -6.100 1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.397 -7.819 1.366 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.946 -7.424 0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.297 -8.562 0.975 1.00 0.00 H new ATOM 624 N VAL A 40 -4.229 -1.992 3.992 1.00 0.00 N ATOM 625 CA VAL A 40 -4.121 -1.053 5.145 1.00 0.00 C ATOM 626 C VAL A 40 -5.355 -0.147 5.198 1.00 0.00 C ATOM 627 O VAL A 40 -5.930 0.190 4.180 1.00 0.00 O ATOM 628 CB VAL A 40 -2.861 -0.230 4.867 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.625 0.755 6.014 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.656 -1.168 4.747 1.00 0.00 C ATOM 0 H VAL A 40 -4.155 -1.558 3.072 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.064 -1.572 6.102 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.989 0.323 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.727 1.339 5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.481 1.424 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.498 0.204 6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.758 -0.583 4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.531 -1.721 5.678 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.820 -1.869 3.928 1.00 0.00 H new ATOM 640 N CYS A 41 -5.767 0.248 6.373 1.00 0.00 N ATOM 641 CA CYS A 41 -6.965 1.132 6.486 1.00 0.00 C ATOM 642 C CYS A 41 -6.712 2.258 7.490 1.00 0.00 C ATOM 643 O CYS A 41 -5.879 2.149 8.368 1.00 0.00 O ATOM 644 CB CYS A 41 -8.095 0.220 6.971 1.00 0.00 C ATOM 645 SG CYS A 41 -7.633 -0.547 8.547 1.00 0.00 S ATOM 0 H CYS A 41 -5.327 -0.002 7.259 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.208 1.610 5.537 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.013 0.796 7.092 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.297 -0.550 6.227 1.00 0.00 H new ATOM 0 HG CYS A 41 -6.728 0.179 9.134 1.00 0.00 H new ATOM 651 N ASP A 42 -7.431 3.340 7.364 1.00 0.00 N ATOM 652 CA ASP A 42 -7.247 4.482 8.305 1.00 0.00 C ATOM 653 C ASP A 42 -8.179 4.331 9.512 1.00 0.00 C ATOM 654 O ASP A 42 -8.953 3.397 9.591 1.00 0.00 O ATOM 655 CB ASP A 42 -7.610 5.727 7.498 1.00 0.00 C ATOM 656 CG ASP A 42 -6.800 6.919 8.015 1.00 0.00 C ATOM 657 OD1 ASP A 42 -7.113 7.400 9.091 1.00 0.00 O ATOM 658 OD2 ASP A 42 -5.879 7.327 7.326 1.00 0.00 O ATOM 0 H ASP A 42 -8.141 3.483 6.646 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.230 4.534 8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.402 5.562 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.677 5.932 7.585 1.00 0.00 H new ATOM 663 N HIS A 43 -8.089 5.234 10.459 1.00 0.00 N ATOM 664 CA HIS A 43 -8.945 5.155 11.688 1.00 0.00 C ATOM 665 C HIS A 43 -10.346 4.595 11.377 1.00 0.00 C ATOM 666 O HIS A 43 -10.578 3.408 11.508 1.00 0.00 O ATOM 667 CB HIS A 43 -9.032 6.599 12.193 1.00 0.00 C ATOM 668 CG HIS A 43 -9.834 6.642 13.465 1.00 0.00 C ATOM 669 ND1 HIS A 43 -9.633 5.736 14.496 1.00 0.00 N ATOM 670 CD2 HIS A 43 -10.840 7.475 13.888 1.00 0.00 C ATOM 671 CE1 HIS A 43 -10.499 6.042 15.480 1.00 0.00 C ATOM 672 NE2 HIS A 43 -11.258 7.095 15.160 1.00 0.00 N ATOM 0 H HIS A 43 -7.453 6.031 10.434 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.521 4.478 12.430 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.031 6.994 12.369 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.497 7.232 11.437 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.245 8.300 13.320 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.572 5.503 16.413 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.987 7.527 15.727 1.00 0.00 H new ATOM 680 N LYS A 44 -11.286 5.420 10.981 1.00 0.00 N ATOM 681 CA LYS A 44 -12.653 4.883 10.692 1.00 0.00 C ATOM 682 C LYS A 44 -12.812 4.511 9.211 1.00 0.00 C ATOM 683 O LYS A 44 -12.898 3.351 8.863 1.00 0.00 O ATOM 684 CB LYS A 44 -13.607 6.018 11.062 1.00 0.00 C ATOM 685 CG LYS A 44 -15.052 5.566 10.841 1.00 0.00 C ATOM 686 CD LYS A 44 -15.421 4.498 11.877 1.00 0.00 C ATOM 687 CE LYS A 44 -16.471 5.056 12.842 1.00 0.00 C ATOM 688 NZ LYS A 44 -17.748 4.403 12.438 1.00 0.00 N ATOM 0 H LYS A 44 -11.170 6.424 10.847 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.850 3.970 11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.460 6.305 12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.394 6.898 10.456 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.727 6.418 10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.168 5.166 9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.808 3.611 11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.533 4.191 12.429 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.219 4.825 13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.541 6.141 12.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -18.518 4.735 13.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.965 4.647 11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.654 3.371 12.527 1.00 0.00 H new ATOM 702 N ARG A 45 -12.858 5.485 8.337 1.00 0.00 N ATOM 703 CA ARG A 45 -13.021 5.172 6.884 1.00 0.00 C ATOM 704 C ARG A 45 -12.435 6.283 6.001 1.00 0.00 C ATOM 705 O ARG A 45 -12.732 6.360 4.824 1.00 0.00 O ATOM 706 CB ARG A 45 -14.533 5.068 6.675 1.00 0.00 C ATOM 707 CG ARG A 45 -14.822 4.183 5.459 1.00 0.00 C ATOM 708 CD ARG A 45 -16.267 3.683 5.524 1.00 0.00 C ATOM 709 NE ARG A 45 -17.102 4.874 5.200 1.00 0.00 N ATOM 710 CZ ARG A 45 -17.343 5.183 3.954 1.00 0.00 C ATOM 711 NH1 ARG A 45 -16.518 5.959 3.304 1.00 0.00 N ATOM 712 NH2 ARG A 45 -18.406 4.718 3.360 1.00 0.00 N ATOM 0 H ARG A 45 -12.790 6.477 8.564 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.495 4.258 6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -15.005 4.649 7.563 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.959 6.060 6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.662 4.746 4.540 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.134 3.338 5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.438 2.876 4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.505 3.291 6.513 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.485 5.448 5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.687 6.323 3.769 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.705 6.201 2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -19.050 4.112 3.868 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.593 4.960 2.387 1.00 0.00 H new ATOM 726 N THR A 46 -11.624 7.151 6.548 1.00 0.00 N ATOM 727 CA THR A 46 -11.049 8.258 5.720 1.00 0.00 C ATOM 728 C THR A 46 -10.375 7.697 4.462 1.00 0.00 C ATOM 729 O THR A 46 -10.712 8.065 3.353 1.00 0.00 O ATOM 730 CB THR A 46 -10.023 8.948 6.620 1.00 0.00 C ATOM 731 OG1 THR A 46 -9.020 8.016 6.987 1.00 0.00 O ATOM 732 CG2 THR A 46 -10.713 9.479 7.880 1.00 0.00 C ATOM 0 H THR A 46 -11.335 7.144 7.526 1.00 0.00 H new ATOM 0 HA THR A 46 -11.819 8.951 5.380 1.00 0.00 H new ATOM 0 HB THR A 46 -9.571 9.781 6.081 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.248 8.115 6.392 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.978 9.970 8.518 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.484 10.195 7.598 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.168 8.650 8.422 1.00 0.00 H new ATOM 740 N ILE A 47 -9.427 6.810 4.622 1.00 0.00 N ATOM 741 CA ILE A 47 -8.739 6.232 3.431 1.00 0.00 C ATOM 742 C ILE A 47 -8.565 4.718 3.602 1.00 0.00 C ATOM 743 O ILE A 47 -8.202 4.242 4.658 1.00 0.00 O ATOM 744 CB ILE A 47 -7.377 6.928 3.376 1.00 0.00 C ATOM 745 CG1 ILE A 47 -7.582 8.440 3.245 1.00 0.00 C ATOM 746 CG2 ILE A 47 -6.588 6.417 2.166 1.00 0.00 C ATOM 747 CD1 ILE A 47 -6.228 9.149 3.283 1.00 0.00 C ATOM 0 H ILE A 47 -9.101 6.462 5.524 1.00 0.00 H new ATOM 0 HA ILE A 47 -9.308 6.384 2.514 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.823 6.711 4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.096 8.667 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.216 8.802 4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.618 6.913 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.441 5.341 2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.142 6.633 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.378 10.225 3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.730 8.933 4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.609 8.796 2.458 1.00 0.00 H new ATOM 759 N ARG A 48 -8.821 3.965 2.566 1.00 0.00 N ATOM 760 CA ARG A 48 -8.670 2.484 2.659 1.00 0.00 C ATOM 761 C ARG A 48 -8.055 1.932 1.369 1.00 0.00 C ATOM 762 O ARG A 48 -8.726 1.778 0.367 1.00 0.00 O ATOM 763 CB ARG A 48 -10.093 1.954 2.845 1.00 0.00 C ATOM 764 CG ARG A 48 -10.051 0.436 3.029 1.00 0.00 C ATOM 765 CD ARG A 48 -11.442 -0.148 2.768 1.00 0.00 C ATOM 766 NE ARG A 48 -11.611 -0.088 1.290 1.00 0.00 N ATOM 767 CZ ARG A 48 -12.385 0.816 0.757 1.00 0.00 C ATOM 768 NH1 ARG A 48 -13.607 0.966 1.187 1.00 0.00 N ATOM 769 NH2 ARG A 48 -11.934 1.572 -0.208 1.00 0.00 N ATOM 0 H ARG A 48 -9.129 4.312 1.658 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.013 2.185 3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.557 2.424 3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.704 2.209 1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.326 -0.004 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.725 0.190 4.040 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.515 -1.173 3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.214 0.428 3.278 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.121 -0.755 0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -13.958 0.376 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.211 1.674 0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.978 1.455 -0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.538 2.280 -0.626 1.00 0.00 H new ATOM 783 N LYS A 49 -6.781 1.637 1.384 1.00 0.00 N ATOM 784 CA LYS A 49 -6.124 1.097 0.159 1.00 0.00 C ATOM 785 C LYS A 49 -5.132 -0.010 0.534 1.00 0.00 C ATOM 786 O LYS A 49 -4.658 -0.080 1.652 1.00 0.00 O ATOM 787 CB LYS A 49 -5.391 2.293 -0.454 1.00 0.00 C ATOM 788 CG LYS A 49 -4.679 1.861 -1.736 1.00 0.00 C ATOM 789 CD LYS A 49 -5.716 1.519 -2.807 1.00 0.00 C ATOM 790 CE LYS A 49 -5.098 1.701 -4.196 1.00 0.00 C ATOM 791 NZ LYS A 49 -5.738 0.653 -5.041 1.00 0.00 N ATOM 0 H LYS A 49 -6.168 1.747 2.192 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.839 0.657 -0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.099 3.093 -0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.668 2.692 0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.027 2.660 -2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.046 0.996 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.058 0.492 -2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.590 2.161 -2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.294 2.699 -4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.015 1.578 -4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.365 0.713 -6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.528 -0.286 -4.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.767 0.800 -5.056 1.00 0.00 H new ATOM 805 N GLY A 50 -4.815 -0.875 -0.393 1.00 0.00 N ATOM 806 CA GLY A 50 -3.857 -1.977 -0.093 1.00 0.00 C ATOM 807 C GLY A 50 -2.711 -1.948 -1.108 1.00 0.00 C ATOM 808 O GLY A 50 -2.927 -1.840 -2.298 1.00 0.00 O ATOM 0 H GLY A 50 -5.179 -0.865 -1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.464 -1.867 0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.368 -2.939 -0.133 1.00 0.00 H new ATOM 812 N LEU A 51 -1.493 -2.046 -0.644 1.00 0.00 N ATOM 813 CA LEU A 51 -0.331 -2.024 -1.581 1.00 0.00 C ATOM 814 C LEU A 51 0.605 -3.199 -1.288 1.00 0.00 C ATOM 815 O LEU A 51 0.525 -3.828 -0.251 1.00 0.00 O ATOM 816 CB LEU A 51 0.374 -0.694 -1.309 1.00 0.00 C ATOM 817 CG LEU A 51 -0.544 0.462 -1.715 1.00 0.00 C ATOM 818 CD1 LEU A 51 -0.024 1.764 -1.105 1.00 0.00 C ATOM 819 CD2 LEU A 51 -0.561 0.586 -3.239 1.00 0.00 C ATOM 0 H LEU A 51 -1.253 -2.140 0.343 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.638 -2.115 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.630 -0.615 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.308 -0.644 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.554 0.269 -1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.677 2.587 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.009 1.676 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.986 1.958 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.214 1.409 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.449 0.780 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.930 -0.342 -3.675 1.00 0.00 H new ATOM 831 N THR A 52 1.495 -3.503 -2.199 1.00 0.00 N ATOM 832 CA THR A 52 2.437 -4.638 -1.976 1.00 0.00 C ATOM 833 C THR A 52 3.721 -4.142 -1.308 1.00 0.00 C ATOM 834 O THR A 52 4.429 -3.311 -1.840 1.00 0.00 O ATOM 835 CB THR A 52 2.739 -5.184 -3.373 1.00 0.00 C ATOM 836 OG1 THR A 52 3.048 -4.102 -4.244 1.00 0.00 O ATOM 837 CG2 THR A 52 1.518 -5.936 -3.905 1.00 0.00 C ATOM 0 H THR A 52 1.609 -3.014 -3.087 1.00 0.00 H new ATOM 0 HA THR A 52 2.013 -5.400 -1.321 1.00 0.00 H new ATOM 0 HB THR A 52 3.588 -5.866 -3.322 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.648 -3.476 -3.788 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.735 -6.324 -4.900 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.281 -6.764 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.667 -5.257 -3.958 1.00 0.00 H new ATOM 845 N ALA A 53 4.027 -4.649 -0.143 1.00 0.00 N ATOM 846 CA ALA A 53 5.267 -4.208 0.562 1.00 0.00 C ATOM 847 C ALA A 53 5.943 -5.409 1.229 1.00 0.00 C ATOM 848 O ALA A 53 5.291 -6.272 1.783 1.00 0.00 O ATOM 849 CB ALA A 53 4.794 -3.203 1.614 1.00 0.00 C ATOM 0 H ALA A 53 3.473 -5.349 0.351 1.00 0.00 H new ATOM 0 HA ALA A 53 5.996 -3.767 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.652 -2.833 2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.295 -2.368 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.098 -3.691 2.296 1.00 0.00 H new ATOM 855 N ALA A 54 7.248 -5.470 1.180 1.00 0.00 N ATOM 856 CA ALA A 54 7.965 -6.616 1.810 1.00 0.00 C ATOM 857 C ALA A 54 9.239 -6.128 2.504 1.00 0.00 C ATOM 858 O ALA A 54 10.257 -5.914 1.874 1.00 0.00 O ATOM 859 CB ALA A 54 8.310 -7.553 0.652 1.00 0.00 C ATOM 0 H ALA A 54 7.847 -4.777 0.732 1.00 0.00 H new ATOM 0 HA ALA A 54 7.361 -7.112 2.570 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.841 -8.424 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.393 -7.875 0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.942 -7.029 -0.064 1.00 0.00 H new ATOM 865 N THR A 55 9.192 -5.958 3.798 1.00 0.00 N ATOM 866 CA THR A 55 10.401 -5.493 4.537 1.00 0.00 C ATOM 867 C THR A 55 10.309 -5.913 6.006 1.00 0.00 C ATOM 868 O THR A 55 9.241 -6.197 6.515 1.00 0.00 O ATOM 869 CB THR A 55 10.397 -3.968 4.413 1.00 0.00 C ATOM 870 OG1 THR A 55 9.985 -3.598 3.104 1.00 0.00 O ATOM 871 CG2 THR A 55 11.806 -3.437 4.673 1.00 0.00 C ATOM 0 H THR A 55 8.367 -6.121 4.376 1.00 0.00 H new ATOM 0 HA THR A 55 11.318 -5.924 4.135 1.00 0.00 H new ATOM 0 HB THR A 55 9.706 -3.545 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.377 -4.215 2.451 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.807 -2.351 4.586 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.122 -3.721 5.677 1.00 0.00 H new ATOM 0 HG23 THR A 55 12.495 -3.861 3.942 1.00 0.00 H new ATOM 879 N ARG A 56 11.420 -5.966 6.687 1.00 0.00 N ATOM 880 CA ARG A 56 11.402 -6.381 8.121 1.00 0.00 C ATOM 881 C ARG A 56 11.236 -5.167 9.043 1.00 0.00 C ATOM 882 O ARG A 56 10.261 -5.056 9.764 1.00 0.00 O ATOM 883 CB ARG A 56 12.761 -7.044 8.351 1.00 0.00 C ATOM 884 CG ARG A 56 12.766 -7.740 9.712 1.00 0.00 C ATOM 885 CD ARG A 56 14.070 -8.525 9.879 1.00 0.00 C ATOM 886 NE ARG A 56 13.989 -9.624 8.875 1.00 0.00 N ATOM 887 CZ ARG A 56 13.495 -10.782 9.216 1.00 0.00 C ATOM 888 NH1 ARG A 56 13.882 -11.355 10.322 1.00 0.00 N ATOM 889 NH2 ARG A 56 12.614 -11.368 8.451 1.00 0.00 N ATOM 0 H ARG A 56 12.342 -5.740 6.313 1.00 0.00 H new ATOM 0 HA ARG A 56 10.569 -7.049 8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 56 12.963 -7.767 7.561 1.00 0.00 H new ATOM 0 HB3 ARG A 56 13.554 -6.297 8.310 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.668 -7.003 10.509 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.912 -8.412 9.792 1.00 0.00 H new ATOM 0 HD2 ARG A 56 14.938 -7.891 9.701 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.166 -8.920 10.890 1.00 0.00 H new ATOM 0 HE ARG A 56 14.320 -9.471 7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.570 -10.898 10.920 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.496 -12.261 10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.312 -10.920 7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.228 -12.274 8.718 1.00 0.00 H new ATOM 903 N GLN A 57 12.186 -4.271 9.043 1.00 0.00 N ATOM 904 CA GLN A 57 12.092 -3.078 9.937 1.00 0.00 C ATOM 905 C GLN A 57 11.381 -1.913 9.238 1.00 0.00 C ATOM 906 O GLN A 57 10.465 -1.324 9.779 1.00 0.00 O ATOM 907 CB GLN A 57 13.543 -2.706 10.243 1.00 0.00 C ATOM 908 CG GLN A 57 13.582 -1.716 11.407 1.00 0.00 C ATOM 909 CD GLN A 57 15.030 -1.309 11.684 1.00 0.00 C ATOM 910 OE1 GLN A 57 15.851 -2.138 12.027 1.00 0.00 O ATOM 911 NE2 GLN A 57 15.383 -0.061 11.548 1.00 0.00 N ATOM 0 H GLN A 57 13.024 -4.313 8.463 1.00 0.00 H new ATOM 0 HA GLN A 57 11.515 -3.293 10.836 1.00 0.00 H new ATOM 0 HB2 GLN A 57 14.114 -3.600 10.493 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.010 -2.266 9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.985 -0.836 11.169 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.144 -2.168 12.297 1.00 0.00 H new ATOM 0 HE21 GLN A 57 14.695 0.635 11.260 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.347 0.219 11.729 1.00 0.00 H new ATOM 920 N GLU A 58 11.802 -1.568 8.051 1.00 0.00 N ATOM 921 CA GLU A 58 11.156 -0.428 7.329 1.00 0.00 C ATOM 922 C GLU A 58 9.642 -0.645 7.205 1.00 0.00 C ATOM 923 O GLU A 58 8.895 0.286 6.977 1.00 0.00 O ATOM 924 CB GLU A 58 11.807 -0.405 5.947 1.00 0.00 C ATOM 925 CG GLU A 58 11.617 0.975 5.316 1.00 0.00 C ATOM 926 CD GLU A 58 12.028 0.925 3.844 1.00 0.00 C ATOM 927 OE1 GLU A 58 11.464 0.123 3.117 1.00 0.00 O ATOM 928 OE2 GLU A 58 12.901 1.692 3.466 1.00 0.00 O ATOM 0 H GLU A 58 12.564 -2.024 7.549 1.00 0.00 H new ATOM 0 HA GLU A 58 11.292 0.513 7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.869 -0.635 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.363 -1.171 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.576 1.286 5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.216 1.715 5.847 1.00 0.00 H new ATOM 935 N LEU A 59 9.185 -1.864 7.351 1.00 0.00 N ATOM 936 CA LEU A 59 7.719 -2.138 7.241 1.00 0.00 C ATOM 937 C LEU A 59 6.917 -1.162 8.110 1.00 0.00 C ATOM 938 O LEU A 59 5.905 -0.634 7.691 1.00 0.00 O ATOM 939 CB LEU A 59 7.544 -3.571 7.748 1.00 0.00 C ATOM 940 CG LEU A 59 6.338 -4.212 7.060 1.00 0.00 C ATOM 941 CD1 LEU A 59 6.809 -5.035 5.861 1.00 0.00 C ATOM 942 CD2 LEU A 59 5.612 -5.125 8.050 1.00 0.00 C ATOM 0 H LEU A 59 9.764 -2.682 7.542 1.00 0.00 H new ATOM 0 HA LEU A 59 7.359 -2.015 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.443 -4.152 7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.402 -3.571 8.829 1.00 0.00 H new ATOM 0 HG LEU A 59 5.659 -3.431 6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.948 -5.491 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.326 -4.386 5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.489 -5.816 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.752 -5.582 7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.292 -5.905 8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.274 -4.539 8.904 1.00 0.00 H new ATOM 954 N LEU A 60 7.362 -0.917 9.314 1.00 0.00 N ATOM 955 CA LEU A 60 6.623 0.029 10.206 1.00 0.00 C ATOM 956 C LEU A 60 6.688 1.448 9.637 1.00 0.00 C ATOM 957 O LEU A 60 5.699 2.155 9.587 1.00 0.00 O ATOM 958 CB LEU A 60 7.341 -0.043 11.553 1.00 0.00 C ATOM 959 CG LEU A 60 6.419 0.494 12.651 1.00 0.00 C ATOM 960 CD1 LEU A 60 5.700 -0.670 13.335 1.00 0.00 C ATOM 961 CD2 LEU A 60 7.251 1.257 13.686 1.00 0.00 C ATOM 0 H LEU A 60 8.203 -1.329 9.719 1.00 0.00 H new ATOM 0 HA LEU A 60 5.568 -0.231 10.297 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.624 -1.073 11.772 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.261 0.540 11.518 1.00 0.00 H new ATOM 0 HG LEU A 60 5.682 1.164 12.208 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.045 -0.284 14.116 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.107 -1.214 12.600 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.435 -1.342 13.777 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.596 1.640 14.469 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.988 0.586 14.126 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.762 2.089 13.201 1.00 0.00 H new ATOM 973 N ALA A 61 7.846 1.869 9.199 1.00 0.00 N ATOM 974 CA ALA A 61 7.977 3.244 8.627 1.00 0.00 C ATOM 975 C ALA A 61 6.971 3.438 7.489 1.00 0.00 C ATOM 976 O ALA A 61 6.530 4.538 7.218 1.00 0.00 O ATOM 977 CB ALA A 61 9.407 3.322 8.094 1.00 0.00 C ATOM 0 H ALA A 61 8.706 1.321 9.212 1.00 0.00 H new ATOM 0 HA ALA A 61 7.777 4.019 9.367 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.579 4.306 7.657 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.109 3.160 8.912 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.554 2.556 7.332 1.00 0.00 H new ATOM 983 N LYS A 62 6.605 2.373 6.825 1.00 0.00 N ATOM 984 CA LYS A 62 5.625 2.493 5.705 1.00 0.00 C ATOM 985 C LYS A 62 4.264 2.937 6.243 1.00 0.00 C ATOM 986 O LYS A 62 3.573 3.727 5.630 1.00 0.00 O ATOM 987 CB LYS A 62 5.532 1.090 5.103 1.00 0.00 C ATOM 988 CG LYS A 62 4.706 1.138 3.816 1.00 0.00 C ATOM 989 CD LYS A 62 3.291 0.628 4.095 1.00 0.00 C ATOM 990 CE LYS A 62 3.318 -0.895 4.241 1.00 0.00 C ATOM 991 NZ LYS A 62 2.373 -1.191 5.354 1.00 0.00 N ATOM 0 H LYS A 62 6.941 1.428 7.009 1.00 0.00 H new ATOM 0 HA LYS A 62 5.932 3.232 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.530 0.707 4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.072 0.407 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.667 2.158 3.435 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.178 0.528 3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.901 1.084 5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.623 0.915 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.008 -1.386 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.322 -1.252 4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.337 -2.218 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.698 -0.716 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.424 -0.846 5.105 1.00 0.00 H new ATOM 1005 N ALA A 63 3.876 2.438 7.389 1.00 0.00 N ATOM 1006 CA ALA A 63 2.556 2.830 7.973 1.00 0.00 C ATOM 1007 C ALA A 63 2.470 4.354 8.100 1.00 0.00 C ATOM 1008 O ALA A 63 1.409 4.938 8.008 1.00 0.00 O ATOM 1009 CB ALA A 63 2.519 2.175 9.354 1.00 0.00 C ATOM 0 H ALA A 63 4.416 1.776 7.946 1.00 0.00 H new ATOM 0 HA ALA A 63 1.719 2.512 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.577 2.418 9.847 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.604 1.094 9.246 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.349 2.546 9.955 1.00 0.00 H new ATOM 1015 N LEU A 64 3.582 4.999 8.318 1.00 0.00 N ATOM 1016 CA LEU A 64 3.574 6.486 8.448 1.00 0.00 C ATOM 1017 C LEU A 64 3.463 7.151 7.068 1.00 0.00 C ATOM 1018 O LEU A 64 2.478 7.784 6.744 1.00 0.00 O ATOM 1019 CB LEU A 64 4.911 6.833 9.106 1.00 0.00 C ATOM 1020 CG LEU A 64 4.974 6.207 10.501 1.00 0.00 C ATOM 1021 CD1 LEU A 64 6.366 6.429 11.102 1.00 0.00 C ATOM 1022 CD2 LEU A 64 3.917 6.856 11.399 1.00 0.00 C ATOM 0 H LEU A 64 4.498 4.561 8.412 1.00 0.00 H new ATOM 0 HA LEU A 64 2.725 6.840 9.033 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.735 6.466 8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.023 7.915 9.176 1.00 0.00 H new ATOM 0 HG LEU A 64 4.780 5.137 10.428 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.409 5.982 12.095 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.117 5.964 10.463 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.564 7.498 11.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.961 6.411 12.393 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.109 7.926 11.472 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.927 6.693 10.972 1.00 0.00 H new ATOM 1034 N GLU A 65 4.486 7.022 6.264 1.00 0.00 N ATOM 1035 CA GLU A 65 4.489 7.660 4.908 1.00 0.00 C ATOM 1036 C GLU A 65 3.196 7.377 4.130 1.00 0.00 C ATOM 1037 O GLU A 65 2.682 8.247 3.455 1.00 0.00 O ATOM 1038 CB GLU A 65 5.685 7.040 4.188 1.00 0.00 C ATOM 1039 CG GLU A 65 6.061 7.905 2.983 1.00 0.00 C ATOM 1040 CD GLU A 65 5.117 7.595 1.818 1.00 0.00 C ATOM 1041 OE1 GLU A 65 4.811 6.432 1.625 1.00 0.00 O ATOM 1042 OE2 GLU A 65 4.719 8.528 1.141 1.00 0.00 O ATOM 0 H GLU A 65 5.331 6.496 6.489 1.00 0.00 H new ATOM 0 HA GLU A 65 4.554 8.745 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.532 6.960 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.442 6.029 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.997 8.961 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.093 7.711 2.690 1.00 0.00 H new ATOM 1049 N THR A 66 2.679 6.174 4.192 1.00 0.00 N ATOM 1050 CA THR A 66 1.428 5.861 3.423 1.00 0.00 C ATOM 1051 C THR A 66 0.372 6.964 3.615 1.00 0.00 C ATOM 1052 O THR A 66 -0.039 7.599 2.662 1.00 0.00 O ATOM 1053 CB THR A 66 0.927 4.505 3.944 1.00 0.00 C ATOM 1054 OG1 THR A 66 -0.401 4.291 3.488 1.00 0.00 O ATOM 1055 CG2 THR A 66 0.948 4.463 5.472 1.00 0.00 C ATOM 0 H THR A 66 3.062 5.401 4.735 1.00 0.00 H new ATOM 0 HA THR A 66 1.624 5.814 2.352 1.00 0.00 H new ATOM 0 HB THR A 66 1.587 3.724 3.567 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.724 3.426 3.817 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.589 3.493 5.814 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.967 4.618 5.826 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.303 5.248 5.866 1.00 0.00 H new ATOM 1063 N LEU A 67 -0.061 7.217 4.826 1.00 0.00 N ATOM 1064 CA LEU A 67 -1.071 8.298 5.035 1.00 0.00 C ATOM 1065 C LEU A 67 -0.397 9.573 5.554 1.00 0.00 C ATOM 1066 O LEU A 67 -0.575 10.643 5.006 1.00 0.00 O ATOM 1067 CB LEU A 67 -2.050 7.753 6.083 1.00 0.00 C ATOM 1068 CG LEU A 67 -3.096 6.844 5.422 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -3.882 7.635 4.373 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -2.408 5.656 4.748 1.00 0.00 C ATOM 0 H LEU A 67 0.238 6.727 5.669 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.575 8.559 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.504 7.195 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.547 8.580 6.590 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.778 6.478 6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.623 6.985 3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.386 8.474 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.198 8.009 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.158 5.017 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.718 6.019 3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.857 5.083 5.494 1.00 0.00 H new ATOM 1082 N LEU A 68 0.379 9.470 6.606 1.00 0.00 N ATOM 1083 CA LEU A 68 1.058 10.684 7.149 1.00 0.00 C ATOM 1084 C LEU A 68 2.421 10.327 7.750 1.00 0.00 C ATOM 1085 O LEU A 68 2.541 9.415 8.543 1.00 0.00 O ATOM 1086 CB LEU A 68 0.116 11.211 8.234 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.024 11.996 7.586 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.987 12.485 8.669 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -0.449 13.202 6.835 1.00 0.00 C ATOM 0 H LEU A 68 0.570 8.603 7.108 1.00 0.00 H new ATOM 0 HA LEU A 68 1.248 11.424 6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.285 10.381 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.664 11.850 8.926 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.558 11.351 6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.800 13.045 8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.395 11.629 9.206 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.453 13.130 9.367 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.261 13.763 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.084 13.846 7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.239 12.856 6.064 1.00 0.00 H new ATOM 1101 N LEU A 69 3.449 11.054 7.392 1.00 0.00 N ATOM 1102 CA LEU A 69 4.803 10.767 7.952 1.00 0.00 C ATOM 1103 C LEU A 69 5.158 11.804 9.025 1.00 0.00 C ATOM 1104 O LEU A 69 5.040 12.994 8.813 1.00 0.00 O ATOM 1105 CB LEU A 69 5.763 10.864 6.762 1.00 0.00 C ATOM 1106 CG LEU A 69 5.802 12.302 6.232 1.00 0.00 C ATOM 1107 CD1 LEU A 69 7.073 12.996 6.725 1.00 0.00 C ATOM 1108 CD2 LEU A 69 5.799 12.281 4.702 1.00 0.00 C ATOM 0 H LEU A 69 3.408 11.834 6.736 1.00 0.00 H new ATOM 0 HA LEU A 69 4.854 9.788 8.428 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.763 10.553 7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.444 10.185 5.971 1.00 0.00 H new ATOM 0 HG LEU A 69 4.928 12.844 6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.099 14.018 6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.080 13.012 7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.947 12.453 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.827 13.303 4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.674 11.738 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.895 11.787 4.347 1.00 0.00 H new ATOM 1120 N ASN A 70 5.590 11.359 10.176 1.00 0.00 N ATOM 1121 CA ASN A 70 5.950 12.318 11.261 1.00 0.00 C ATOM 1122 C ASN A 70 7.203 11.840 12.000 1.00 0.00 C ATOM 1123 O ASN A 70 7.554 10.676 11.957 1.00 0.00 O ATOM 1124 CB ASN A 70 4.746 12.325 12.203 1.00 0.00 C ATOM 1125 CG ASN A 70 4.730 13.626 13.006 1.00 0.00 C ATOM 1126 OD1 ASN A 70 5.766 14.117 13.410 1.00 0.00 O ATOM 1127 ND2 ASN A 70 3.591 14.211 13.255 1.00 0.00 N ATOM 0 H ASN A 70 5.709 10.374 10.411 1.00 0.00 H new ATOM 0 HA ASN A 70 6.170 13.312 10.872 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.823 12.228 11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.794 11.470 12.878 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.570 15.080 13.788 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.721 13.799 12.916 1.00 0.00 H new ATOM 1134 N GLY A 71 7.877 12.729 12.681 1.00 0.00 N ATOM 1135 CA GLY A 71 9.104 12.328 13.428 1.00 0.00 C ATOM 1136 C GLY A 71 8.716 11.392 14.574 1.00 0.00 C ATOM 1137 O GLY A 71 9.422 10.453 14.887 1.00 0.00 O ATOM 0 H GLY A 71 7.630 13.716 12.752 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.805 11.830 12.758 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.610 13.211 13.820 1.00 0.00 H new ATOM 1141 N VAL A 72 7.597 11.641 15.201 1.00 0.00 N ATOM 1142 CA VAL A 72 7.157 10.766 16.328 1.00 0.00 C ATOM 1143 C VAL A 72 5.669 10.436 16.182 1.00 0.00 C ATOM 1144 O VAL A 72 4.842 11.311 16.020 1.00 0.00 O ATOM 1145 CB VAL A 72 7.406 11.585 17.596 1.00 0.00 C ATOM 1146 CG1 VAL A 72 7.090 10.728 18.823 1.00 0.00 C ATOM 1147 CG2 VAL A 72 8.874 12.016 17.646 1.00 0.00 C ATOM 0 H VAL A 72 6.968 12.413 14.981 1.00 0.00 H new ATOM 0 HA VAL A 72 7.695 9.818 16.350 1.00 0.00 H new ATOM 0 HB VAL A 72 6.767 12.468 17.590 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.267 11.309 19.728 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.046 10.416 18.790 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.732 9.847 18.827 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.051 12.600 18.549 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.513 11.133 17.653 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.105 12.623 16.771 1.00 0.00 H new ATOM 1157 N LEU A 73 5.325 9.176 16.234 1.00 0.00 N ATOM 1158 CA LEU A 73 3.893 8.785 16.093 1.00 0.00 C ATOM 1159 C LEU A 73 3.586 7.571 16.974 1.00 0.00 C ATOM 1160 O LEU A 73 4.401 6.682 17.130 1.00 0.00 O ATOM 1161 CB LEU A 73 3.735 8.437 14.607 1.00 0.00 C ATOM 1162 CG LEU A 73 2.252 8.352 14.217 1.00 0.00 C ATOM 1163 CD1 LEU A 73 1.614 7.110 14.850 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.507 9.606 14.688 1.00 0.00 C ATOM 0 H LEU A 73 5.975 8.401 16.368 1.00 0.00 H new ATOM 0 HA LEU A 73 3.209 9.574 16.404 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.232 9.192 13.998 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.225 7.486 14.398 1.00 0.00 H new ATOM 0 HG LEU A 73 2.181 8.281 13.132 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.562 7.058 14.568 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.129 6.217 14.497 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.696 7.172 15.935 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.457 9.533 14.405 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.586 9.691 15.772 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.948 10.487 14.222 1.00 0.00 H new ATOM 1176 N THR A 74 2.411 7.525 17.543 1.00 0.00 N ATOM 1177 CA THR A 74 2.040 6.369 18.408 1.00 0.00 C ATOM 1178 C THR A 74 1.245 5.341 17.597 1.00 0.00 C ATOM 1179 O THR A 74 0.280 5.670 16.933 1.00 0.00 O ATOM 1180 CB THR A 74 1.171 6.966 19.518 1.00 0.00 C ATOM 1181 OG1 THR A 74 0.215 7.844 18.945 1.00 0.00 O ATOM 1182 CG2 THR A 74 2.057 7.743 20.496 1.00 0.00 C ATOM 0 H THR A 74 1.691 8.241 17.445 1.00 0.00 H new ATOM 0 HA THR A 74 2.913 5.854 18.809 1.00 0.00 H new ATOM 0 HB THR A 74 0.658 6.166 20.051 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.024 7.527 18.049 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.440 8.169 21.287 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.794 7.069 20.934 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.569 8.545 19.964 1.00 0.00 H new ATOM 1190 N LEU A 75 1.645 4.097 17.646 1.00 0.00 N ATOM 1191 CA LEU A 75 0.919 3.044 16.880 1.00 0.00 C ATOM 1192 C LEU A 75 -0.153 2.394 17.757 1.00 0.00 C ATOM 1193 O LEU A 75 0.069 2.118 18.920 1.00 0.00 O ATOM 1194 CB LEU A 75 1.990 2.017 16.504 1.00 0.00 C ATOM 1195 CG LEU A 75 2.881 2.585 15.400 1.00 0.00 C ATOM 1196 CD1 LEU A 75 4.307 2.063 15.576 1.00 0.00 C ATOM 1197 CD2 LEU A 75 2.342 2.146 14.037 1.00 0.00 C ATOM 0 H LEU A 75 2.445 3.765 18.185 1.00 0.00 H new ATOM 0 HA LEU A 75 0.413 3.450 16.004 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.591 1.767 17.378 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.520 1.093 16.166 1.00 0.00 H new ATOM 0 HG LEU A 75 2.884 3.673 15.458 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.943 2.468 14.789 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.691 2.374 16.548 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.306 0.975 15.517 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.976 2.550 13.248 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.340 1.058 13.980 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.325 2.517 13.911 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.312 2.146 17.210 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.395 1.512 18.016 1.00 0.00 C ATOM 1211 C VAL A 76 -3.233 0.575 17.142 1.00 0.00 C ATOM 1212 O VAL A 76 -3.287 0.716 15.935 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.246 2.673 18.534 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.399 3.555 19.452 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -3.756 3.507 17.357 1.00 0.00 C ATOM 0 H VAL A 76 -1.556 2.354 16.242 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.997 0.908 18.831 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.096 2.276 19.089 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.004 4.383 19.822 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.040 2.964 20.294 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.548 3.948 18.895 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.361 4.332 17.731 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.909 3.903 16.798 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.362 2.880 16.702 1.00 0.00 H new ATOM 1225 N LEU A 77 -3.888 -0.378 17.746 1.00 0.00 N ATOM 1226 CA LEU A 77 -4.728 -1.330 16.965 1.00 0.00 C ATOM 1227 C LEU A 77 -6.148 -1.364 17.540 1.00 0.00 C ATOM 1228 O LEU A 77 -6.347 -1.217 18.731 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.053 -2.694 17.133 1.00 0.00 C ATOM 1230 CG LEU A 77 -3.878 -3.007 18.625 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -4.314 -4.445 18.904 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.404 -2.838 19.009 1.00 0.00 C ATOM 0 H LEU A 77 -3.877 -0.539 18.753 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.809 -1.045 15.916 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.655 -3.469 16.658 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.083 -2.694 16.636 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.491 -2.324 19.213 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.188 -4.664 19.964 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.362 -4.567 18.630 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.703 -5.131 18.317 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.276 -3.060 20.069 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.794 -3.522 18.419 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.092 -1.812 18.813 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.134 -1.555 16.706 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.540 -1.596 17.210 1.00 0.00 C ATOM 1246 C GLU A 78 -8.950 -3.037 17.535 1.00 0.00 C ATOM 1247 O GLU A 78 -9.941 -3.273 18.198 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.386 -1.036 16.067 1.00 0.00 C ATOM 1249 CG GLU A 78 -10.815 -0.801 16.560 1.00 0.00 C ATOM 1250 CD GLU A 78 -11.698 -0.381 15.381 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -11.536 -0.948 14.313 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.523 0.498 15.569 1.00 0.00 O ATOM 0 H GLU A 78 -7.029 -1.684 15.700 1.00 0.00 H new ATOM 0 HA GLU A 78 -8.666 -1.022 18.128 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.956 -0.102 15.706 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.389 -1.731 15.228 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.208 -1.709 17.017 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.824 -0.028 17.328 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.200 -4.002 17.069 1.00 0.00 N ATOM 1260 CA GLU A 79 -8.549 -5.428 17.349 1.00 0.00 C ATOM 1261 C GLU A 79 -8.643 -5.670 18.859 1.00 0.00 C ATOM 1262 O GLU A 79 -9.683 -6.032 19.375 1.00 0.00 O ATOM 1263 CB GLU A 79 -7.403 -6.241 16.749 1.00 0.00 C ATOM 1264 CG GLU A 79 -7.699 -7.735 16.901 1.00 0.00 C ATOM 1265 CD GLU A 79 -6.484 -8.544 16.444 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -6.309 -8.686 15.245 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -5.750 -9.008 17.300 1.00 0.00 O ATOM 0 H GLU A 79 -7.360 -3.865 16.506 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.514 -5.704 16.925 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.278 -5.990 15.696 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.467 -5.993 17.249 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.934 -7.966 17.940 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.573 -8.006 16.309 1.00 0.00 H new ATOM 1274 N ASP A 80 -7.566 -5.472 19.571 1.00 0.00 N ATOM 1275 CA ASP A 80 -7.593 -5.690 21.047 1.00 0.00 C ATOM 1276 C ASP A 80 -7.711 -4.351 21.781 1.00 0.00 C ATOM 1277 O ASP A 80 -8.160 -4.288 22.909 1.00 0.00 O ATOM 1278 CB ASP A 80 -6.257 -6.363 21.372 1.00 0.00 C ATOM 1279 CG ASP A 80 -6.346 -7.040 22.742 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -7.388 -7.601 23.036 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -5.370 -6.985 23.472 1.00 0.00 O ATOM 0 H ASP A 80 -6.668 -5.169 19.194 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.443 -6.297 21.358 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.013 -7.099 20.606 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.456 -5.624 21.371 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.313 -3.278 21.148 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.403 -1.943 21.807 1.00 0.00 C ATOM 1288 C GLY A 81 -6.196 -1.747 22.726 1.00 0.00 C ATOM 1289 O GLY A 81 -6.333 -1.630 23.928 1.00 0.00 O ATOM 0 H GLY A 81 -6.930 -3.270 20.203 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.433 -1.155 21.054 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.327 -1.870 22.381 1.00 0.00 H new ATOM 1293 N THR A 82 -5.014 -1.713 22.169 1.00 0.00 N ATOM 1294 CA THR A 82 -3.797 -1.527 23.010 1.00 0.00 C ATOM 1295 C THR A 82 -2.803 -0.594 22.312 1.00 0.00 C ATOM 1296 O THR A 82 -2.765 -0.507 21.100 1.00 0.00 O ATOM 1297 CB THR A 82 -3.201 -2.927 23.159 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.166 -3.791 23.744 1.00 0.00 O ATOM 1299 CG2 THR A 82 -1.961 -2.864 24.051 1.00 0.00 C ATOM 0 H THR A 82 -4.840 -1.806 21.168 1.00 0.00 H new ATOM 0 HA THR A 82 -4.030 -1.076 23.975 1.00 0.00 H new ATOM 0 HB THR A 82 -2.919 -3.309 22.178 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.786 -4.689 23.839 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.537 -3.863 24.156 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.222 -2.202 23.600 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.239 -2.482 25.034 1.00 0.00 H new ATOM 1307 N ALA A 83 -1.995 0.098 23.071 1.00 0.00 N ATOM 1308 CA ALA A 83 -0.998 1.023 22.457 1.00 0.00 C ATOM 1309 C ALA A 83 0.267 0.249 22.080 1.00 0.00 C ATOM 1310 O ALA A 83 0.661 -0.679 22.758 1.00 0.00 O ATOM 1311 CB ALA A 83 -0.692 2.055 23.542 1.00 0.00 C ATOM 0 H ALA A 83 -1.982 0.063 24.090 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.371 1.492 21.547 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.036 2.773 23.166 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.609 2.577 23.816 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.285 1.551 24.419 1.00 0.00 H new ATOM 1317 N VAL A 84 0.904 0.620 21.002 1.00 0.00 N ATOM 1318 CA VAL A 84 2.142 -0.099 20.583 1.00 0.00 C ATOM 1319 C VAL A 84 3.220 0.899 20.156 1.00 0.00 C ATOM 1320 O VAL A 84 2.930 1.954 19.624 1.00 0.00 O ATOM 1321 CB VAL A 84 1.717 -0.970 19.401 1.00 0.00 C ATOM 1322 CG1 VAL A 84 2.920 -1.768 18.887 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.617 -1.937 19.851 1.00 0.00 C ATOM 0 H VAL A 84 0.621 1.389 20.394 1.00 0.00 H new ATOM 0 HA VAL A 84 2.566 -0.692 21.393 1.00 0.00 H new ATOM 0 HB VAL A 84 1.339 -0.333 18.601 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.613 -2.387 18.045 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.702 -1.080 18.565 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.302 -2.405 19.685 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.313 -2.559 19.009 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.996 -2.571 20.653 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.241 -1.370 20.212 1.00 0.00 H new ATOM 1333 N ASP A 85 4.462 0.570 20.382 1.00 0.00 N ATOM 1334 CA ASP A 85 5.570 1.490 19.987 1.00 0.00 C ATOM 1335 C ASP A 85 6.796 0.685 19.541 1.00 0.00 C ATOM 1336 O ASP A 85 7.894 1.199 19.473 1.00 0.00 O ATOM 1337 CB ASP A 85 5.884 2.299 21.251 1.00 0.00 C ATOM 1338 CG ASP A 85 6.189 1.354 22.420 1.00 0.00 C ATOM 1339 OD1 ASP A 85 6.403 0.177 22.171 1.00 0.00 O ATOM 1340 OD2 ASP A 85 6.201 1.824 23.544 1.00 0.00 O ATOM 0 H ASP A 85 4.760 -0.299 20.825 1.00 0.00 H new ATOM 0 HA ASP A 85 5.295 2.133 19.151 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.737 2.954 21.071 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.038 2.939 21.502 1.00 0.00 H new ATOM 1345 N SER A 86 6.617 -0.576 19.241 1.00 0.00 N ATOM 1346 CA SER A 86 7.771 -1.415 18.805 1.00 0.00 C ATOM 1347 C SER A 86 7.316 -2.440 17.762 1.00 0.00 C ATOM 1348 O SER A 86 6.145 -2.550 17.456 1.00 0.00 O ATOM 1349 CB SER A 86 8.249 -2.119 20.074 1.00 0.00 C ATOM 1350 OG SER A 86 7.132 -2.673 20.754 1.00 0.00 O ATOM 0 H SER A 86 5.720 -1.060 19.280 1.00 0.00 H new ATOM 0 HA SER A 86 8.562 -0.823 18.344 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.961 -2.904 19.821 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.769 -1.413 20.721 1.00 0.00 H new ATOM 0 HG SER A 86 6.710 -1.982 21.306 1.00 0.00 H new ATOM 1356 N GLU A 87 8.235 -3.195 17.218 1.00 0.00 N ATOM 1357 CA GLU A 87 7.858 -4.219 16.198 1.00 0.00 C ATOM 1358 C GLU A 87 6.930 -5.277 16.809 1.00 0.00 C ATOM 1359 O GLU A 87 6.344 -6.078 16.107 1.00 0.00 O ATOM 1360 CB GLU A 87 9.181 -4.853 15.765 1.00 0.00 C ATOM 1361 CG GLU A 87 9.019 -5.473 14.375 1.00 0.00 C ATOM 1362 CD GLU A 87 9.994 -6.642 14.219 1.00 0.00 C ATOM 1363 OE1 GLU A 87 9.958 -7.531 15.055 1.00 0.00 O ATOM 1364 OE2 GLU A 87 10.757 -6.629 13.268 1.00 0.00 O ATOM 0 H GLU A 87 9.230 -3.147 17.436 1.00 0.00 H new ATOM 0 HA GLU A 87 7.319 -3.779 15.359 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.969 -4.100 15.750 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.483 -5.616 16.482 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.995 -5.819 14.237 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.208 -4.723 13.607 1.00 0.00 H new ATOM 1371 N ASP A 88 6.790 -5.289 18.112 1.00 0.00 N ATOM 1372 CA ASP A 88 5.900 -6.296 18.766 1.00 0.00 C ATOM 1373 C ASP A 88 4.462 -6.181 18.242 1.00 0.00 C ATOM 1374 O ASP A 88 3.649 -7.058 18.460 1.00 0.00 O ATOM 1375 CB ASP A 88 5.952 -5.958 20.256 1.00 0.00 C ATOM 1376 CG ASP A 88 5.295 -7.083 21.058 1.00 0.00 C ATOM 1377 OD1 ASP A 88 5.794 -8.195 21.001 1.00 0.00 O ATOM 1378 OD2 ASP A 88 4.305 -6.813 21.717 1.00 0.00 O ATOM 0 H ASP A 88 7.255 -4.644 18.751 1.00 0.00 H new ATOM 0 HA ASP A 88 6.223 -7.316 18.560 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.986 -5.826 20.574 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.438 -5.015 20.444 1.00 0.00 H new ATOM 1383 N PHE A 89 4.141 -5.108 17.557 1.00 0.00 N ATOM 1384 CA PHE A 89 2.754 -4.932 17.020 1.00 0.00 C ATOM 1385 C PHE A 89 2.238 -6.240 16.398 1.00 0.00 C ATOM 1386 O PHE A 89 1.251 -6.799 16.837 1.00 0.00 O ATOM 1387 CB PHE A 89 2.886 -3.840 15.949 1.00 0.00 C ATOM 1388 CG PHE A 89 1.628 -3.781 15.113 1.00 0.00 C ATOM 1389 CD1 PHE A 89 0.398 -3.530 15.721 1.00 0.00 C ATOM 1390 CD2 PHE A 89 1.697 -3.981 13.735 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.770 -3.477 14.953 1.00 0.00 C ATOM 1392 CE2 PHE A 89 0.536 -3.929 12.955 1.00 0.00 C ATOM 1393 CZ PHE A 89 -0.714 -3.677 13.557 1.00 0.00 C ATOM 0 H PHE A 89 4.783 -4.344 17.346 1.00 0.00 H new ATOM 0 HA PHE A 89 2.043 -4.662 17.801 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.063 -2.874 16.422 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.746 -4.046 15.312 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.347 -3.376 16.789 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.651 -4.177 13.267 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.719 -3.282 15.430 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.598 -4.083 11.888 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.613 -3.638 12.960 1.00 0.00 H new ATOM 1403 N PHE A 90 2.897 -6.723 15.379 1.00 0.00 N ATOM 1404 CA PHE A 90 2.444 -7.988 14.727 1.00 0.00 C ATOM 1405 C PHE A 90 2.543 -9.165 15.704 1.00 0.00 C ATOM 1406 O PHE A 90 1.672 -10.010 15.758 1.00 0.00 O ATOM 1407 CB PHE A 90 3.397 -8.187 13.546 1.00 0.00 C ATOM 1408 CG PHE A 90 2.986 -7.276 12.414 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.764 -7.473 11.768 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.828 -6.238 12.011 1.00 0.00 C ATOM 1411 CE1 PHE A 90 1.378 -6.634 10.718 1.00 0.00 C ATOM 1412 CE2 PHE A 90 3.451 -5.392 10.961 1.00 0.00 C ATOM 1413 CZ PHE A 90 2.218 -5.581 10.301 1.00 0.00 C ATOM 0 H PHE A 90 3.729 -6.298 14.970 1.00 0.00 H new ATOM 0 HA PHE A 90 1.403 -7.935 14.409 1.00 0.00 H new ATOM 0 HB2 PHE A 90 4.421 -7.970 13.850 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.376 -9.226 13.218 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.114 -8.277 12.081 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.773 -6.087 12.511 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.431 -6.793 10.224 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.107 -4.591 10.655 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.923 -4.931 9.491 1.00 0.00 H new ATOM 1423 N GLN A 91 3.597 -9.226 16.474 1.00 0.00 N ATOM 1424 CA GLN A 91 3.752 -10.349 17.447 1.00 0.00 C ATOM 1425 C GLN A 91 2.665 -10.280 18.524 1.00 0.00 C ATOM 1426 O GLN A 91 2.399 -11.248 19.211 1.00 0.00 O ATOM 1427 CB GLN A 91 5.136 -10.151 18.068 1.00 0.00 C ATOM 1428 CG GLN A 91 5.447 -11.319 19.009 1.00 0.00 C ATOM 1429 CD GLN A 91 5.637 -12.602 18.197 1.00 0.00 C ATOM 1430 OE1 GLN A 91 5.735 -12.562 16.985 1.00 0.00 O ATOM 1431 NE2 GLN A 91 5.696 -13.749 18.817 1.00 0.00 N ATOM 0 H GLN A 91 4.358 -8.547 16.472 1.00 0.00 H new ATOM 0 HA GLN A 91 3.656 -11.322 16.966 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.892 -10.090 17.285 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.169 -9.210 18.617 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.348 -11.105 19.584 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.635 -11.448 19.725 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.614 -13.784 19.833 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.824 -14.610 18.285 1.00 0.00 H new ATOM 1440 N LEU A 92 2.038 -9.145 18.683 1.00 0.00 N ATOM 1441 CA LEU A 92 0.972 -9.016 19.722 1.00 0.00 C ATOM 1442 C LEU A 92 -0.396 -9.394 19.142 1.00 0.00 C ATOM 1443 O LEU A 92 -1.316 -9.719 19.865 1.00 0.00 O ATOM 1444 CB LEU A 92 1.000 -7.542 20.133 1.00 0.00 C ATOM 1445 CG LEU A 92 -0.094 -7.270 21.174 1.00 0.00 C ATOM 1446 CD1 LEU A 92 0.546 -6.795 22.480 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -1.041 -6.186 20.652 1.00 0.00 C ATOM 0 H LEU A 92 2.217 -8.301 18.139 1.00 0.00 H new ATOM 0 HA LEU A 92 1.141 -9.680 20.570 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.977 -7.289 20.545 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.848 -6.909 19.259 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.653 -8.188 21.355 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.233 -6.602 23.218 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.220 -7.565 22.856 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.108 -5.879 22.298 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.818 -5.994 21.392 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.480 -5.270 20.469 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.501 -6.522 19.723 1.00 0.00 H new ATOM 1459 N LEU A 93 -0.541 -9.355 17.841 1.00 0.00 N ATOM 1460 CA LEU A 93 -1.852 -9.716 17.224 1.00 0.00 C ATOM 1461 C LEU A 93 -1.688 -10.914 16.286 1.00 0.00 C ATOM 1462 O LEU A 93 -0.621 -11.154 15.752 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.274 -8.479 16.428 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.609 -7.331 17.385 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.443 -6.341 17.418 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -3.874 -6.614 16.904 1.00 0.00 C ATOM 0 H LEU A 93 0.190 -9.089 17.182 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.592 -9.995 17.975 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.472 -8.179 15.753 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.140 -8.712 15.809 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.778 -7.730 18.385 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.679 -5.523 18.099 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.543 -6.850 17.762 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.275 -5.943 16.417 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.111 -5.797 17.586 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.708 -6.215 15.904 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.705 -7.319 16.880 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.739 -11.660 16.069 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.647 -12.834 15.152 1.00 0.00 C ATOM 1480 C GLU A 94 -2.351 -12.345 13.734 1.00 0.00 C ATOM 1481 O GLU A 94 -2.306 -11.155 13.483 1.00 0.00 O ATOM 1482 CB GLU A 94 -4.019 -13.505 15.220 1.00 0.00 C ATOM 1483 CG GLU A 94 -3.958 -14.700 16.174 1.00 0.00 C ATOM 1484 CD GLU A 94 -3.592 -15.962 15.391 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -4.391 -16.376 14.567 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -2.517 -16.490 15.627 1.00 0.00 O ATOM 0 H GLU A 94 -3.657 -11.507 16.487 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.853 -13.527 15.431 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.768 -12.791 15.563 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.324 -13.835 14.227 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.220 -14.517 16.955 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.920 -14.833 16.669 1.00 0.00 H new ATOM 1493 N ASP A 95 -2.143 -13.237 12.801 1.00 0.00 N ATOM 1494 CA ASP A 95 -1.844 -12.781 11.412 1.00 0.00 C ATOM 1495 C ASP A 95 -3.042 -12.019 10.844 1.00 0.00 C ATOM 1496 O ASP A 95 -4.135 -12.540 10.741 1.00 0.00 O ATOM 1497 CB ASP A 95 -1.591 -14.060 10.616 1.00 0.00 C ATOM 1498 CG ASP A 95 -1.221 -13.701 9.174 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -0.230 -13.014 8.991 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -1.937 -14.119 8.279 1.00 0.00 O ATOM 0 H ASP A 95 -2.167 -14.248 12.937 1.00 0.00 H new ATOM 0 HA ASP A 95 -0.988 -12.107 11.372 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.787 -14.634 11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.480 -14.690 10.628 1.00 0.00 H new ATOM 1505 N ASP A 96 -2.832 -10.790 10.467 1.00 0.00 N ATOM 1506 CA ASP A 96 -3.938 -9.969 9.892 1.00 0.00 C ATOM 1507 C ASP A 96 -3.360 -8.688 9.287 1.00 0.00 C ATOM 1508 O ASP A 96 -2.183 -8.414 9.418 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.856 -9.645 11.074 1.00 0.00 C ATOM 1510 CG ASP A 96 -4.068 -8.914 12.165 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -3.505 -7.874 11.864 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -4.042 -9.405 13.280 1.00 0.00 O ATOM 0 H ASP A 96 -1.933 -10.312 10.532 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.478 -10.488 9.100 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.689 -9.027 10.739 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.283 -10.564 11.476 1.00 0.00 H new ATOM 1517 N THR A 97 -4.172 -7.888 8.651 1.00 0.00 N ATOM 1518 CA THR A 97 -3.644 -6.619 8.077 1.00 0.00 C ATOM 1519 C THR A 97 -4.417 -5.434 8.657 1.00 0.00 C ATOM 1520 O THR A 97 -5.517 -5.130 8.236 1.00 0.00 O ATOM 1521 CB THR A 97 -3.869 -6.723 6.566 1.00 0.00 C ATOM 1522 OG1 THR A 97 -4.018 -8.089 6.196 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.669 -6.124 5.832 1.00 0.00 C ATOM 0 H THR A 97 -5.167 -8.056 8.505 1.00 0.00 H new ATOM 0 HA THR A 97 -2.590 -6.467 8.310 1.00 0.00 H new ATOM 0 HB THR A 97 -4.773 -6.176 6.296 1.00 0.00 H new ATOM 0 HG1 THR A 97 -4.164 -8.152 5.229 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.827 -6.197 4.756 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.557 -5.077 6.112 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.766 -6.671 6.104 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.840 -4.759 9.611 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.520 -3.583 10.223 1.00 0.00 C ATOM 1533 C CYS A 98 -3.489 -2.497 10.530 1.00 0.00 C ATOM 1534 O CYS A 98 -2.438 -2.774 11.077 1.00 0.00 O ATOM 1535 CB CYS A 98 -5.147 -4.111 11.513 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.422 -2.960 12.080 1.00 0.00 S ATOM 0 H CYS A 98 -2.920 -4.973 9.996 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.268 -3.142 9.564 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.581 -5.096 11.342 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.382 -4.229 12.280 1.00 0.00 H new ATOM 0 HG CYS A 98 -6.957 -3.410 13.176 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.771 -1.272 10.194 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.788 -0.189 10.485 1.00 0.00 C ATOM 1544 C LEU A 99 -3.499 1.086 10.935 1.00 0.00 C ATOM 1545 O LEU A 99 -4.419 1.557 10.296 1.00 0.00 O ATOM 1546 CB LEU A 99 -2.050 0.047 9.170 1.00 0.00 C ATOM 1547 CG LEU A 99 -0.795 0.881 9.434 1.00 0.00 C ATOM 1548 CD1 LEU A 99 0.399 -0.049 9.662 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.518 1.782 8.230 1.00 0.00 C ATOM 0 H LEU A 99 -4.631 -0.973 9.734 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.110 -0.467 11.291 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.778 -0.906 8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.700 0.562 8.463 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.949 1.497 10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.293 0.546 9.850 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.202 -0.690 10.521 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.554 -0.666 8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.376 2.376 8.418 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.365 1.167 7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.367 2.446 8.069 1.00 0.00 H new ATOM 1561 N MET A 100 -3.065 1.653 12.026 1.00 0.00 N ATOM 1562 CA MET A 100 -3.693 2.907 12.518 1.00 0.00 C ATOM 1563 C MET A 100 -2.598 3.878 12.964 1.00 0.00 C ATOM 1564 O MET A 100 -1.669 3.502 13.649 1.00 0.00 O ATOM 1565 CB MET A 100 -4.555 2.482 13.707 1.00 0.00 C ATOM 1566 CG MET A 100 -5.613 3.552 13.980 1.00 0.00 C ATOM 1567 SD MET A 100 -6.425 3.208 15.561 1.00 0.00 S ATOM 1568 CE MET A 100 -7.899 2.405 14.888 1.00 0.00 C ATOM 0 H MET A 100 -2.299 1.299 12.599 1.00 0.00 H new ATOM 0 HA MET A 100 -4.287 3.410 11.755 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.035 1.526 13.498 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.931 2.339 14.589 1.00 0.00 H new ATOM 0 HG2 MET A 100 -5.150 4.539 14.004 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.349 3.564 13.176 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.579 2.152 15.701 1.00 0.00 H new ATOM 0 HE2 MET A 100 -8.398 3.082 14.195 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.610 1.496 14.361 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.695 5.120 12.574 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.649 6.103 12.976 1.00 0.00 C ATOM 1580 C VAL A 101 -2.301 7.409 13.439 1.00 0.00 C ATOM 1581 O VAL A 101 -2.898 8.126 12.661 1.00 0.00 O ATOM 1582 CB VAL A 101 -0.825 6.324 11.705 1.00 0.00 C ATOM 1583 CG1 VAL A 101 0.218 7.423 11.934 1.00 0.00 C ATOM 1584 CG2 VAL A 101 -0.117 5.019 11.330 1.00 0.00 C ATOM 0 H VAL A 101 -3.449 5.495 11.998 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.036 5.752 13.806 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.490 6.631 10.897 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.797 7.570 11.023 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.285 8.353 12.198 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.885 7.128 12.744 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.471 5.171 10.425 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.541 4.715 12.144 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.859 4.240 11.154 1.00 0.00 H new ATOM 1594 N LEU A 102 -2.179 7.720 14.700 1.00 0.00 N ATOM 1595 CA LEU A 102 -2.781 8.981 15.220 1.00 0.00 C ATOM 1596 C LEU A 102 -1.922 9.539 16.359 1.00 0.00 C ATOM 1597 O LEU A 102 -0.961 8.926 16.779 1.00 0.00 O ATOM 1598 CB LEU A 102 -4.183 8.603 15.715 1.00 0.00 C ATOM 1599 CG LEU A 102 -4.124 7.343 16.588 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -5.323 7.333 17.538 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -4.177 6.098 15.696 1.00 0.00 C ATOM 0 H LEU A 102 -1.688 7.155 15.393 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.835 9.756 14.456 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.608 9.428 16.286 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.842 8.432 14.864 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.197 7.340 17.162 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.286 6.439 18.161 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.292 8.219 18.172 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.246 7.333 16.959 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.135 5.203 16.317 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.105 6.099 15.124 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.329 6.105 15.011 1.00 0.00 H new ATOM 1613 N GLN A 103 -2.260 10.699 16.860 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.460 11.291 17.971 1.00 0.00 C ATOM 1615 C GLN A 103 -1.926 10.728 19.316 1.00 0.00 C ATOM 1616 O GLN A 103 -3.043 10.272 19.454 1.00 0.00 O ATOM 1617 CB GLN A 103 -1.729 12.795 17.896 1.00 0.00 C ATOM 1618 CG GLN A 103 -0.625 13.546 18.643 1.00 0.00 C ATOM 1619 CD GLN A 103 -1.072 14.986 18.902 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -1.409 15.339 20.015 1.00 0.00 O ATOM 1621 NE2 GLN A 103 -1.092 15.837 17.913 1.00 0.00 N ATOM 0 H GLN A 103 -3.053 11.260 16.548 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.398 11.063 17.882 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.764 13.118 16.856 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.701 13.024 18.334 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.406 13.047 19.587 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.294 13.539 18.057 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.809 15.540 16.979 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.391 16.799 18.074 1.00 0.00 H new ATOM 1630 N SER A 104 -1.075 10.755 20.308 1.00 0.00 N ATOM 1631 CA SER A 104 -1.467 10.220 21.643 1.00 0.00 C ATOM 1632 C SER A 104 -2.630 11.031 22.219 1.00 0.00 C ATOM 1633 O SER A 104 -3.042 12.027 21.655 1.00 0.00 O ATOM 1634 CB SER A 104 -0.223 10.376 22.518 1.00 0.00 C ATOM 1635 OG SER A 104 0.212 11.729 22.477 1.00 0.00 O ATOM 0 H SER A 104 -0.126 11.124 20.250 1.00 0.00 H new ATOM 0 HA SER A 104 -1.798 9.183 21.587 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.447 10.085 23.544 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.569 9.716 22.165 1.00 0.00 H new ATOM 0 HG SER A 104 1.009 11.834 23.038 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.164 10.613 23.336 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.301 11.359 23.949 1.00 0.00 C ATOM 1643 C GLY A 105 -5.593 11.035 23.196 1.00 0.00 C ATOM 1644 O GLY A 105 -6.482 11.858 23.092 1.00 0.00 O ATOM 0 H GLY A 105 -2.861 9.786 23.851 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.403 11.088 25.000 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.107 12.431 23.914 1.00 0.00 H new ATOM 1648 N GLN A 106 -5.702 9.844 22.668 1.00 0.00 N ATOM 1649 CA GLN A 106 -6.938 9.468 21.920 1.00 0.00 C ATOM 1650 C GLN A 106 -7.364 8.043 22.287 1.00 0.00 C ATOM 1651 O GLN A 106 -6.607 7.288 22.866 1.00 0.00 O ATOM 1652 CB GLN A 106 -6.547 9.547 20.443 1.00 0.00 C ATOM 1653 CG GLN A 106 -7.809 9.666 19.585 1.00 0.00 C ATOM 1654 CD GLN A 106 -7.419 9.746 18.109 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -7.970 9.045 17.284 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -6.484 10.578 17.738 1.00 0.00 N ATOM 0 H GLN A 106 -4.989 9.116 22.722 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.778 10.122 22.154 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -5.897 10.406 20.274 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.983 8.659 20.157 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.458 8.807 19.754 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.373 10.554 19.871 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.021 11.167 18.430 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.216 10.639 16.756 1.00 0.00 H new ATOM 1665 N SER A 107 -8.574 7.673 21.958 1.00 0.00 N ATOM 1666 CA SER A 107 -9.054 6.298 22.287 1.00 0.00 C ATOM 1667 C SER A 107 -9.773 5.685 21.083 1.00 0.00 C ATOM 1668 O SER A 107 -9.972 6.330 20.073 1.00 0.00 O ATOM 1669 CB SER A 107 -10.025 6.489 23.451 1.00 0.00 C ATOM 1670 OG SER A 107 -9.399 7.264 24.465 1.00 0.00 O ATOM 0 H SER A 107 -9.251 8.264 21.475 1.00 0.00 H new ATOM 0 HA SER A 107 -8.236 5.625 22.543 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.931 6.986 23.105 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.325 5.521 23.851 1.00 0.00 H new ATOM 0 HG SER A 107 -10.021 7.389 25.212 1.00 0.00 H new