USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 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 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 GLN : amide:sc= 0.0908 K(o=0.2,f=-0.49) USER MOD Set 2.2: A 52 THR OG1 : rot 156:sc= 0.105 USER MOD Set 3.1: A 43 HIS : no HE2:sc= -0.147 X(o=-2.4,f=-2.7) USER MOD Set 3.2: A 106 GLN : amide:sc= -2.27 K(o=-2.4,f=-4.8!) USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 119:sc= -2.76! USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.03) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.509 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 70 ASN : amide:sc= 0.0347 K(o=0.035,f=-7.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0528 USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00653 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0956 X(o=-0.096,f=0) 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 100 MET CE :methyl -137:sc= -1.57 (180deg=-5.28!) USER MOD Single : A 103 GLN : amide:sc= -0.0119 K(o=-0.012,f=-0.55) USER MOD Single : A 104 SER OG : rot 180:sc=0.000437 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 525 N GLN A 35 7.254 -10.611 -0.439 1.00 0.00 N ATOM 526 CA GLN A 35 6.141 -9.727 -0.892 1.00 0.00 C ATOM 527 C GLN A 35 4.790 -10.361 -0.546 1.00 0.00 C ATOM 528 O GLN A 35 4.528 -11.502 -0.868 1.00 0.00 O ATOM 529 CB GLN A 35 6.313 -9.626 -2.408 1.00 0.00 C ATOM 530 CG GLN A 35 5.575 -8.388 -2.925 1.00 0.00 C ATOM 531 CD GLN A 35 5.321 -8.534 -4.426 1.00 0.00 C ATOM 532 OE1 GLN A 35 4.222 -8.314 -4.892 1.00 0.00 O ATOM 533 NE2 GLN A 35 6.301 -8.900 -5.207 1.00 0.00 N ATOM 0 HA GLN A 35 6.165 -8.749 -0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.371 -9.564 -2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 35 5.923 -10.523 -2.889 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.630 -8.268 -2.396 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.165 -7.492 -2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.224 -9.085 -4.815 1.00 0.00 H new ATOM 0 HE22 GLN A 35 6.143 -9.001 -6.210 1.00 0.00 H new ATOM 542 N ARG A 36 3.932 -9.626 0.112 1.00 0.00 N ATOM 543 CA ARG A 36 2.597 -10.184 0.482 1.00 0.00 C ATOM 544 C ARG A 36 1.524 -9.092 0.387 1.00 0.00 C ATOM 545 O ARG A 36 1.761 -7.961 0.766 1.00 0.00 O ATOM 546 CB ARG A 36 2.755 -10.657 1.927 1.00 0.00 C ATOM 547 CG ARG A 36 1.489 -11.397 2.365 1.00 0.00 C ATOM 548 CD ARG A 36 1.520 -12.827 1.818 1.00 0.00 C ATOM 549 NE ARG A 36 2.240 -13.617 2.854 1.00 0.00 N ATOM 550 CZ ARG A 36 2.003 -14.895 2.982 1.00 0.00 C ATOM 551 NH1 ARG A 36 0.951 -15.301 3.639 1.00 0.00 N ATOM 552 NH2 ARG A 36 2.820 -15.766 2.454 1.00 0.00 N ATOM 0 H ARG A 36 4.097 -8.664 0.409 1.00 0.00 H new ATOM 0 HA ARG A 36 2.287 -10.992 -0.180 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.621 -11.314 2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.935 -9.805 2.582 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.422 -11.413 3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.605 -10.875 1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.512 -13.211 1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.035 -12.872 0.858 1.00 0.00 H new ATOM 0 HE ARG A 36 2.918 -13.160 3.464 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.314 -14.620 4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.766 -16.299 3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.643 -15.448 1.942 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.635 -16.764 2.554 1.00 0.00 H new ATOM 566 N PRO A 37 0.371 -9.460 -0.117 1.00 0.00 N ATOM 567 CA PRO A 37 -0.740 -8.487 -0.259 1.00 0.00 C ATOM 568 C PRO A 37 -1.340 -8.151 1.111 1.00 0.00 C ATOM 569 O PRO A 37 -2.186 -8.861 1.618 1.00 0.00 O ATOM 570 CB PRO A 37 -1.754 -9.220 -1.131 1.00 0.00 C ATOM 571 CG PRO A 37 -1.474 -10.672 -0.914 1.00 0.00 C ATOM 572 CD PRO A 37 -0.006 -10.797 -0.599 1.00 0.00 C ATOM 0 HA PRO A 37 -0.422 -7.538 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.775 -8.968 -0.845 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.641 -8.949 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.078 -11.063 -0.095 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.728 -11.250 -1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.176 -11.560 0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.569 -11.080 -1.481 1.00 0.00 H new ATOM 580 N PHE A 38 -0.910 -7.072 1.708 1.00 0.00 N ATOM 581 CA PHE A 38 -1.455 -6.686 3.043 1.00 0.00 C ATOM 582 C PHE A 38 -2.488 -5.566 2.888 1.00 0.00 C ATOM 583 O PHE A 38 -2.248 -4.574 2.228 1.00 0.00 O ATOM 584 CB PHE A 38 -0.247 -6.191 3.839 1.00 0.00 C ATOM 585 CG PHE A 38 0.521 -7.371 4.387 1.00 0.00 C ATOM 586 CD1 PHE A 38 -0.145 -8.370 5.109 1.00 0.00 C ATOM 587 CD2 PHE A 38 1.902 -7.465 4.175 1.00 0.00 C ATOM 588 CE1 PHE A 38 0.570 -9.461 5.618 1.00 0.00 C ATOM 589 CE2 PHE A 38 2.617 -8.556 4.684 1.00 0.00 C ATOM 590 CZ PHE A 38 1.951 -9.555 5.405 1.00 0.00 C ATOM 0 H PHE A 38 -0.204 -6.440 1.329 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.957 -7.517 3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.399 -5.589 3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.576 -5.548 4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.210 -8.299 5.273 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.416 -6.695 3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.056 -10.230 6.175 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.682 -8.627 4.521 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.502 -10.397 5.796 1.00 0.00 H new ATOM 600 N ARG A 39 -3.640 -5.718 3.491 1.00 0.00 N ATOM 601 CA ARG A 39 -4.689 -4.664 3.379 1.00 0.00 C ATOM 602 C ARG A 39 -4.539 -3.641 4.509 1.00 0.00 C ATOM 603 O ARG A 39 -4.831 -3.923 5.657 1.00 0.00 O ATOM 604 CB ARG A 39 -6.016 -5.412 3.505 1.00 0.00 C ATOM 605 CG ARG A 39 -7.175 -4.433 3.311 1.00 0.00 C ATOM 606 CD ARG A 39 -8.446 -5.206 2.943 1.00 0.00 C ATOM 607 NE ARG A 39 -8.588 -5.035 1.471 1.00 0.00 N ATOM 608 CZ ARG A 39 -9.105 -5.992 0.748 1.00 0.00 C ATOM 609 NH1 ARG A 39 -8.615 -7.200 0.819 1.00 0.00 N ATOM 610 NH2 ARG A 39 -10.115 -5.742 -0.041 1.00 0.00 N ATOM 0 H ARG A 39 -3.898 -6.527 4.056 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.619 -4.111 2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.069 -6.207 2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.087 -5.886 4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.337 -3.861 4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.932 -3.718 2.525 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.359 -6.259 3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.314 -4.813 3.472 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.281 -4.170 1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.829 -7.396 1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.018 -7.948 0.255 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.500 -4.799 -0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.518 -6.490 -0.605 1.00 0.00 H new ATOM 624 N VAL A 40 -4.091 -2.454 4.193 1.00 0.00 N ATOM 625 CA VAL A 40 -3.924 -1.407 5.243 1.00 0.00 C ATOM 626 C VAL A 40 -5.113 -0.440 5.207 1.00 0.00 C ATOM 627 O VAL A 40 -5.667 -0.164 4.161 1.00 0.00 O ATOM 628 CB VAL A 40 -2.626 -0.680 4.878 1.00 0.00 C ATOM 629 CG1 VAL A 40 -2.353 0.432 5.896 1.00 0.00 C ATOM 630 CG2 VAL A 40 -1.462 -1.675 4.886 1.00 0.00 C ATOM 0 H VAL A 40 -3.833 -2.164 3.250 1.00 0.00 H new ATOM 0 HA VAL A 40 -3.882 -1.827 6.248 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.726 -0.244 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.429 0.947 5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.179 1.143 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.256 -0.002 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.539 -1.157 4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.365 -2.113 5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.653 -2.464 4.158 1.00 0.00 H new ATOM 640 N CYS A 41 -5.505 0.079 6.340 1.00 0.00 N ATOM 641 CA CYS A 41 -6.658 1.029 6.369 1.00 0.00 C ATOM 642 C CYS A 41 -6.369 2.192 7.324 1.00 0.00 C ATOM 643 O CYS A 41 -5.422 2.163 8.086 1.00 0.00 O ATOM 644 CB CYS A 41 -7.846 0.202 6.868 1.00 0.00 C ATOM 645 SG CYS A 41 -7.479 -0.484 8.506 1.00 0.00 S ATOM 0 H CYS A 41 -5.078 -0.113 7.246 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.852 1.468 5.390 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.739 0.826 6.917 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.059 -0.604 6.166 1.00 0.00 H new ATOM 0 HG CYS A 41 -8.494 -1.182 8.921 1.00 0.00 H new ATOM 651 N ASP A 42 -7.179 3.217 7.284 1.00 0.00 N ATOM 652 CA ASP A 42 -6.958 4.386 8.185 1.00 0.00 C ATOM 653 C ASP A 42 -7.782 4.229 9.466 1.00 0.00 C ATOM 654 O ASP A 42 -8.515 3.272 9.627 1.00 0.00 O ATOM 655 CB ASP A 42 -7.416 5.607 7.391 1.00 0.00 C ATOM 656 CG ASP A 42 -6.597 6.824 7.829 1.00 0.00 C ATOM 657 OD1 ASP A 42 -6.347 6.950 9.016 1.00 0.00 O ATOM 658 OD2 ASP A 42 -6.240 7.611 6.969 1.00 0.00 O ATOM 0 H ASP A 42 -7.986 3.295 6.665 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.915 4.477 8.489 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.287 5.431 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.478 5.788 7.558 1.00 0.00 H new ATOM 663 N HIS A 43 -7.645 5.153 10.386 1.00 0.00 N ATOM 664 CA HIS A 43 -8.396 5.070 11.681 1.00 0.00 C ATOM 665 C HIS A 43 -9.810 4.491 11.491 1.00 0.00 C ATOM 666 O HIS A 43 -10.013 3.300 11.636 1.00 0.00 O ATOM 667 CB HIS A 43 -8.460 6.517 12.184 1.00 0.00 C ATOM 668 CG HIS A 43 -9.214 6.569 13.487 1.00 0.00 C ATOM 669 ND1 HIS A 43 -8.687 6.065 14.665 1.00 0.00 N ATOM 670 CD2 HIS A 43 -10.454 7.065 13.811 1.00 0.00 C ATOM 671 CE1 HIS A 43 -9.599 6.266 15.635 1.00 0.00 C ATOM 672 NE2 HIS A 43 -10.694 6.872 15.166 1.00 0.00 N ATOM 0 H HIS A 43 -7.040 5.969 10.295 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.904 4.402 12.388 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.452 6.910 12.320 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.951 7.148 11.443 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -7.775 5.623 14.777 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.138 7.533 13.118 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.462 5.973 16.666 1.00 0.00 H new ATOM 680 N LYS A 44 -10.792 5.304 11.182 1.00 0.00 N ATOM 681 CA LYS A 44 -12.171 4.754 11.009 1.00 0.00 C ATOM 682 C LYS A 44 -12.454 4.395 9.543 1.00 0.00 C ATOM 683 O LYS A 44 -12.559 3.236 9.192 1.00 0.00 O ATOM 684 CB LYS A 44 -13.099 5.876 11.474 1.00 0.00 C ATOM 685 CG LYS A 44 -14.553 5.403 11.404 1.00 0.00 C ATOM 686 CD LYS A 44 -14.838 4.450 12.566 1.00 0.00 C ATOM 687 CE LYS A 44 -16.324 4.084 12.572 1.00 0.00 C ATOM 688 NZ LYS A 44 -16.507 3.249 13.794 1.00 0.00 N ATOM 0 H LYS A 44 -10.700 6.310 11.044 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.310 3.833 11.576 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.850 6.168 12.494 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.962 6.758 10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.227 6.258 11.448 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.737 4.901 10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.231 3.550 12.469 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.564 4.919 13.511 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.951 4.975 12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.599 3.534 11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.502 2.958 13.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.903 2.405 13.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.243 3.802 14.635 1.00 0.00 H new ATOM 702 N ARG A 45 -12.583 5.377 8.688 1.00 0.00 N ATOM 703 CA ARG A 45 -12.866 5.079 7.251 1.00 0.00 C ATOM 704 C ARG A 45 -12.364 6.205 6.337 1.00 0.00 C ATOM 705 O ARG A 45 -12.768 6.305 5.196 1.00 0.00 O ATOM 706 CB ARG A 45 -14.389 4.964 7.166 1.00 0.00 C ATOM 707 CG ARG A 45 -14.766 4.008 6.032 1.00 0.00 C ATOM 708 CD ARG A 45 -16.266 4.119 5.749 1.00 0.00 C ATOM 709 NE ARG A 45 -16.414 3.757 4.312 1.00 0.00 N ATOM 710 CZ ARG A 45 -16.867 4.636 3.461 1.00 0.00 C ATOM 711 NH1 ARG A 45 -16.202 5.736 3.241 1.00 0.00 N ATOM 712 NH2 ARG A 45 -17.986 4.413 2.828 1.00 0.00 N ATOM 0 H ARG A 45 -12.505 6.367 8.920 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.359 4.172 6.923 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.790 4.600 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.829 5.945 6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.197 4.249 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.511 2.984 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.839 3.446 6.387 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.631 5.128 5.942 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.161 2.822 3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -15.326 5.910 3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.557 6.422 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.506 3.552 2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -18.341 5.100 2.162 1.00 0.00 H new ATOM 726 N THR A 46 -11.507 7.063 6.825 1.00 0.00 N ATOM 727 CA THR A 46 -11.010 8.185 5.968 1.00 0.00 C ATOM 728 C THR A 46 -10.424 7.646 4.658 1.00 0.00 C ATOM 729 O THR A 46 -10.892 7.967 3.583 1.00 0.00 O ATOM 730 CB THR A 46 -9.927 8.880 6.794 1.00 0.00 C ATOM 731 OG1 THR A 46 -8.881 7.963 7.063 1.00 0.00 O ATOM 732 CG2 THR A 46 -10.523 9.386 8.110 1.00 0.00 C ATOM 0 H THR A 46 -11.131 7.038 7.773 1.00 0.00 H new ATOM 0 HA THR A 46 -11.813 8.870 5.695 1.00 0.00 H new ATOM 0 HB THR A 46 -9.532 9.728 6.234 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.047 8.293 6.668 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.747 9.880 8.695 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.324 10.094 7.898 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.923 8.544 8.676 1.00 0.00 H new ATOM 740 N ILE A 47 -9.405 6.831 4.738 1.00 0.00 N ATOM 741 CA ILE A 47 -8.797 6.278 3.494 1.00 0.00 C ATOM 742 C ILE A 47 -8.530 4.778 3.652 1.00 0.00 C ATOM 743 O ILE A 47 -8.358 4.281 4.748 1.00 0.00 O ATOM 744 CB ILE A 47 -7.480 7.038 3.317 1.00 0.00 C ATOM 745 CG1 ILE A 47 -7.763 8.539 3.225 1.00 0.00 C ATOM 746 CG2 ILE A 47 -6.789 6.570 2.035 1.00 0.00 C ATOM 747 CD1 ILE A 47 -6.440 9.307 3.166 1.00 0.00 C ATOM 0 H ILE A 47 -8.969 6.526 5.608 1.00 0.00 H new ATOM 0 HA ILE A 47 -9.454 6.395 2.632 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.832 6.843 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.360 8.753 2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.346 8.863 4.087 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.851 7.111 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.585 5.501 2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -7.437 6.764 1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.642 10.376 3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.860 9.102 4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.874 8.990 2.290 1.00 0.00 H new ATOM 759 N ARG A 48 -8.491 4.058 2.563 1.00 0.00 N ATOM 760 CA ARG A 48 -8.230 2.594 2.641 1.00 0.00 C ATOM 761 C ARG A 48 -7.314 2.161 1.491 1.00 0.00 C ATOM 762 O ARG A 48 -7.508 2.545 0.356 1.00 0.00 O ATOM 763 CB ARG A 48 -9.605 1.938 2.509 1.00 0.00 C ATOM 764 CG ARG A 48 -9.461 0.420 2.635 1.00 0.00 C ATOM 765 CD ARG A 48 -10.715 -0.262 2.084 1.00 0.00 C ATOM 766 NE ARG A 48 -10.559 -0.216 0.603 1.00 0.00 N ATOM 767 CZ ARG A 48 -11.204 -1.066 -0.146 1.00 0.00 C ATOM 768 NH1 ARG A 48 -10.943 -2.343 -0.057 1.00 0.00 N ATOM 769 NH2 ARG A 48 -12.106 -0.641 -0.986 1.00 0.00 N ATOM 0 H ARG A 48 -8.629 4.423 1.621 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.733 2.311 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.275 2.316 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.051 2.193 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.581 0.081 2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.314 0.144 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.795 -1.289 2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -11.619 0.257 2.402 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.948 0.480 0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.235 -2.674 0.598 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.447 -3.009 -0.643 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.307 0.356 -1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.611 -1.306 -1.572 1.00 0.00 H new ATOM 783 N LYS A 49 -6.315 1.367 1.778 1.00 0.00 N ATOM 784 CA LYS A 49 -5.388 0.915 0.699 1.00 0.00 C ATOM 785 C LYS A 49 -5.068 -0.574 0.862 1.00 0.00 C ATOM 786 O LYS A 49 -4.926 -1.071 1.962 1.00 0.00 O ATOM 787 CB LYS A 49 -4.127 1.761 0.881 1.00 0.00 C ATOM 788 CG LYS A 49 -3.097 1.382 -0.186 1.00 0.00 C ATOM 789 CD LYS A 49 -3.580 1.856 -1.561 1.00 0.00 C ATOM 790 CE LYS A 49 -2.676 2.985 -2.062 1.00 0.00 C ATOM 791 NZ LYS A 49 -3.087 4.182 -1.278 1.00 0.00 N ATOM 0 H LYS A 49 -6.102 1.013 2.711 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.820 1.037 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.373 2.820 0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.711 1.602 1.876 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.133 1.835 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.948 0.302 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.568 1.026 -2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.611 2.204 -1.495 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.624 2.750 -1.901 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.806 3.150 -3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.584 5.020 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.112 4.326 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.852 4.038 -0.275 1.00 0.00 H new ATOM 805 N GLY A 50 -4.953 -1.286 -0.227 1.00 0.00 N ATOM 806 CA GLY A 50 -4.640 -2.742 -0.140 1.00 0.00 C ATOM 807 C GLY A 50 -3.620 -3.108 -1.219 1.00 0.00 C ATOM 808 O GLY A 50 -3.974 -3.451 -2.330 1.00 0.00 O ATOM 0 H GLY A 50 -5.062 -0.922 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.244 -2.982 0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.549 -3.329 -0.270 1.00 0.00 H new ATOM 812 N LEU A 51 -2.356 -3.037 -0.900 1.00 0.00 N ATOM 813 CA LEU A 51 -1.307 -3.378 -1.905 1.00 0.00 C ATOM 814 C LEU A 51 -0.254 -4.300 -1.280 1.00 0.00 C ATOM 815 O LEU A 51 -0.182 -4.442 -0.074 1.00 0.00 O ATOM 816 CB LEU A 51 -0.681 -2.039 -2.295 1.00 0.00 C ATOM 817 CG LEU A 51 -1.642 -1.272 -3.205 1.00 0.00 C ATOM 818 CD1 LEU A 51 -1.148 0.165 -3.374 1.00 0.00 C ATOM 819 CD2 LEU A 51 -1.699 -1.955 -4.574 1.00 0.00 C ATOM 0 H LEU A 51 -2.003 -2.757 0.015 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.718 -3.903 -2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.464 -1.453 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.267 -2.204 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.637 -1.264 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.833 0.711 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.105 0.652 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.154 0.158 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.383 -1.410 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.704 -1.962 -5.019 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.050 -2.980 -4.455 1.00 0.00 H new ATOM 831 N THR A 52 0.557 -4.923 -2.089 1.00 0.00 N ATOM 832 CA THR A 52 1.606 -5.833 -1.542 1.00 0.00 C ATOM 833 C THR A 52 2.798 -5.015 -1.041 1.00 0.00 C ATOM 834 O THR A 52 3.238 -4.085 -1.688 1.00 0.00 O ATOM 835 CB THR A 52 2.023 -6.723 -2.716 1.00 0.00 C ATOM 836 OG1 THR A 52 2.553 -5.912 -3.759 1.00 0.00 O ATOM 837 CG2 THR A 52 0.809 -7.498 -3.231 1.00 0.00 C ATOM 0 H THR A 52 0.540 -4.842 -3.106 1.00 0.00 H new ATOM 0 HA THR A 52 1.242 -6.421 -0.700 1.00 0.00 H new ATOM 0 HB THR A 52 2.784 -7.430 -2.384 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.159 -6.447 -4.313 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.109 -8.131 -4.067 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.408 -8.120 -2.431 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.044 -6.797 -3.563 1.00 0.00 H new ATOM 845 N ALA A 53 3.322 -5.352 0.108 1.00 0.00 N ATOM 846 CA ALA A 53 4.484 -4.588 0.648 1.00 0.00 C ATOM 847 C ALA A 53 5.585 -5.550 1.107 1.00 0.00 C ATOM 848 O ALA A 53 5.319 -6.567 1.716 1.00 0.00 O ATOM 849 CB ALA A 53 3.927 -3.807 1.835 1.00 0.00 C ATOM 0 H ALA A 53 2.997 -6.121 0.694 1.00 0.00 H new ATOM 0 HA ALA A 53 4.929 -3.931 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.724 -3.217 2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.133 -3.143 1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.526 -4.503 2.572 1.00 0.00 H new ATOM 855 N ALA A 54 6.817 -5.228 0.824 1.00 0.00 N ATOM 856 CA ALA A 54 7.940 -6.117 1.245 1.00 0.00 C ATOM 857 C ALA A 54 9.042 -5.286 1.907 1.00 0.00 C ATOM 858 O ALA A 54 9.847 -4.664 1.244 1.00 0.00 O ATOM 859 CB ALA A 54 8.447 -6.752 -0.049 1.00 0.00 C ATOM 0 H ALA A 54 7.096 -4.387 0.319 1.00 0.00 H new ATOM 0 HA ALA A 54 7.628 -6.869 1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.277 -7.422 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.641 -7.317 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.786 -5.971 -0.729 1.00 0.00 H new ATOM 865 N THR A 55 9.082 -5.274 3.213 1.00 0.00 N ATOM 866 CA THR A 55 10.129 -4.484 3.925 1.00 0.00 C ATOM 867 C THR A 55 10.462 -5.139 5.267 1.00 0.00 C ATOM 868 O THR A 55 9.612 -5.719 5.913 1.00 0.00 O ATOM 869 CB THR A 55 9.504 -3.106 4.136 1.00 0.00 C ATOM 870 OG1 THR A 55 8.802 -2.718 2.961 1.00 0.00 O ATOM 871 CG2 THR A 55 10.602 -2.085 4.433 1.00 0.00 C ATOM 0 H THR A 55 8.434 -5.778 3.818 1.00 0.00 H new ATOM 0 HA THR A 55 11.061 -4.426 3.363 1.00 0.00 H new ATOM 0 HB THR A 55 8.812 -3.148 4.977 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.400 -1.835 3.097 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.154 -1.103 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.140 -2.380 5.334 1.00 0.00 H new ATOM 0 HG23 THR A 55 11.296 -2.043 3.594 1.00 0.00 H new ATOM 879 N ARG A 56 11.697 -5.058 5.689 1.00 0.00 N ATOM 880 CA ARG A 56 12.087 -5.684 6.986 1.00 0.00 C ATOM 881 C ARG A 56 11.922 -4.686 8.140 1.00 0.00 C ATOM 882 O ARG A 56 10.947 -4.722 8.865 1.00 0.00 O ATOM 883 CB ARG A 56 13.557 -6.079 6.807 1.00 0.00 C ATOM 884 CG ARG A 56 14.088 -6.693 8.104 1.00 0.00 C ATOM 885 CD ARG A 56 15.528 -7.166 7.894 1.00 0.00 C ATOM 886 NE ARG A 56 15.993 -7.600 9.239 1.00 0.00 N ATOM 887 CZ ARG A 56 16.980 -8.447 9.348 1.00 0.00 C ATOM 888 NH1 ARG A 56 18.095 -8.233 8.702 1.00 0.00 N ATOM 889 NH2 ARG A 56 16.854 -9.505 10.099 1.00 0.00 N ATOM 0 H ARG A 56 12.452 -4.586 5.191 1.00 0.00 H new ATOM 0 HA ARG A 56 11.463 -6.543 7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.655 -6.793 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.149 -5.204 6.539 1.00 0.00 H new ATOM 0 HG2 ARG A 56 14.049 -5.959 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.459 -7.531 8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.573 -7.986 7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 56 16.153 -6.364 7.500 1.00 0.00 H new ATOM 0 HE ARG A 56 15.540 -7.235 10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 56 18.193 -7.405 8.114 1.00 0.00 H new ATOM 0 HH12 ARG A 56 18.868 -8.894 8.786 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.983 -9.672 10.603 1.00 0.00 H new ATOM 0 HH22 ARG A 56 17.626 -10.166 10.183 1.00 0.00 H new ATOM 903 N GLN A 57 12.869 -3.799 8.324 1.00 0.00 N ATOM 904 CA GLN A 57 12.764 -2.810 9.438 1.00 0.00 C ATOM 905 C GLN A 57 12.056 -1.537 8.965 1.00 0.00 C ATOM 906 O GLN A 57 11.304 -0.927 9.698 1.00 0.00 O ATOM 907 CB GLN A 57 14.209 -2.504 9.830 1.00 0.00 C ATOM 908 CG GLN A 57 14.222 -1.593 11.061 1.00 0.00 C ATOM 909 CD GLN A 57 15.661 -1.185 11.384 1.00 0.00 C ATOM 910 OE1 GLN A 57 16.569 -1.461 10.626 1.00 0.00 O ATOM 911 NE2 GLN A 57 15.909 -0.533 12.487 1.00 0.00 N ATOM 0 H GLN A 57 13.709 -3.718 7.751 1.00 0.00 H new ATOM 0 HA GLN A 57 12.183 -3.197 10.275 1.00 0.00 H new ATOM 0 HB2 GLN A 57 14.743 -3.430 10.044 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.727 -2.021 9.002 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.615 -0.707 10.876 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.780 -2.110 11.913 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.147 -0.301 13.124 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.865 -0.256 12.712 1.00 0.00 H new ATOM 920 N GLU A 58 12.294 -1.128 7.748 1.00 0.00 N ATOM 921 CA GLU A 58 11.639 0.110 7.231 1.00 0.00 C ATOM 922 C GLU A 58 10.140 -0.126 6.992 1.00 0.00 C ATOM 923 O GLU A 58 9.403 0.794 6.694 1.00 0.00 O ATOM 924 CB GLU A 58 12.352 0.420 5.914 1.00 0.00 C ATOM 925 CG GLU A 58 11.799 1.720 5.326 1.00 0.00 C ATOM 926 CD GLU A 58 12.618 2.115 4.096 1.00 0.00 C ATOM 927 OE1 GLU A 58 13.834 2.088 4.185 1.00 0.00 O ATOM 928 OE2 GLU A 58 12.015 2.437 3.085 1.00 0.00 O ATOM 0 H GLU A 58 12.914 -1.598 7.088 1.00 0.00 H new ATOM 0 HA GLU A 58 11.714 0.935 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.425 0.512 6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.209 -0.399 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.752 1.591 5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.838 2.514 6.072 1.00 0.00 H new ATOM 935 N LEU A 59 9.683 -1.346 7.120 1.00 0.00 N ATOM 936 CA LEU A 59 8.231 -1.629 6.898 1.00 0.00 C ATOM 937 C LEU A 59 7.368 -0.707 7.763 1.00 0.00 C ATOM 938 O LEU A 59 6.410 -0.120 7.295 1.00 0.00 O ATOM 939 CB LEU A 59 8.039 -3.087 7.321 1.00 0.00 C ATOM 940 CG LEU A 59 6.650 -3.559 6.891 1.00 0.00 C ATOM 941 CD1 LEU A 59 6.705 -5.043 6.525 1.00 0.00 C ATOM 942 CD2 LEU A 59 5.664 -3.352 8.041 1.00 0.00 C ATOM 0 H LEU A 59 10.250 -2.157 7.368 1.00 0.00 H new ATOM 0 HA LEU A 59 7.937 -1.460 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.806 -3.714 6.866 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.150 -3.182 8.401 1.00 0.00 H new ATOM 0 HG LEU A 59 6.323 -2.985 6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.714 -5.379 6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.408 -5.190 5.705 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.032 -5.619 7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.673 -3.688 7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.991 -3.926 8.908 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.624 -2.294 8.300 1.00 0.00 H new ATOM 954 N LEU A 60 7.696 -0.574 9.020 1.00 0.00 N ATOM 955 CA LEU A 60 6.891 0.311 9.913 1.00 0.00 C ATOM 956 C LEU A 60 6.905 1.748 9.387 1.00 0.00 C ATOM 957 O LEU A 60 5.924 2.459 9.475 1.00 0.00 O ATOM 958 CB LEU A 60 7.578 0.236 11.279 1.00 0.00 C ATOM 959 CG LEU A 60 6.678 0.882 12.338 1.00 0.00 C ATOM 960 CD1 LEU A 60 6.007 -0.207 13.176 1.00 0.00 C ATOM 961 CD2 LEU A 60 7.524 1.775 13.251 1.00 0.00 C ATOM 0 H LEU A 60 8.486 -1.039 9.468 1.00 0.00 H new ATOM 0 HA LEU A 60 5.848 -0.000 9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.778 -0.803 11.541 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.540 0.747 11.243 1.00 0.00 H new ATOM 0 HG LEU A 60 5.914 1.482 11.844 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.368 0.255 13.928 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.404 -0.844 12.529 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.770 -0.809 13.669 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.884 2.235 14.004 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.288 1.173 13.742 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.002 2.554 12.657 1.00 0.00 H new ATOM 973 N ALA A 61 8.010 2.179 8.836 1.00 0.00 N ATOM 974 CA ALA A 61 8.088 3.572 8.300 1.00 0.00 C ATOM 975 C ALA A 61 6.962 3.814 7.289 1.00 0.00 C ATOM 976 O ALA A 61 6.479 4.918 7.133 1.00 0.00 O ATOM 977 CB ALA A 61 9.451 3.659 7.611 1.00 0.00 C ATOM 0 H ALA A 61 8.862 1.627 8.734 1.00 0.00 H new ATOM 0 HA ALA A 61 7.979 4.321 9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.583 4.656 7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.239 3.464 8.338 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.503 2.919 6.813 1.00 0.00 H new ATOM 983 N LYS A 62 6.540 2.784 6.606 1.00 0.00 N ATOM 984 CA LYS A 62 5.443 2.946 5.607 1.00 0.00 C ATOM 985 C LYS A 62 4.145 3.354 6.310 1.00 0.00 C ATOM 986 O LYS A 62 3.522 4.335 5.963 1.00 0.00 O ATOM 987 CB LYS A 62 5.292 1.568 4.958 1.00 0.00 C ATOM 988 CG LYS A 62 4.533 1.701 3.635 1.00 0.00 C ATOM 989 CD LYS A 62 3.079 1.265 3.833 1.00 0.00 C ATOM 990 CE LYS A 62 2.221 1.818 2.693 1.00 0.00 C ATOM 991 NZ LYS A 62 0.828 1.409 3.025 1.00 0.00 N ATOM 0 H LYS A 62 6.907 1.837 6.696 1.00 0.00 H new ATOM 0 HA LYS A 62 5.663 3.720 4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.274 1.128 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.757 0.896 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.570 2.733 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.007 1.087 2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.014 0.177 3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.707 1.627 4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.308 2.902 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.533 1.411 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.180 1.753 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.774 0.372 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.556 1.817 3.942 1.00 0.00 H new ATOM 1005 N ALA A 63 3.738 2.601 7.298 1.00 0.00 N ATOM 1006 CA ALA A 63 2.479 2.931 8.035 1.00 0.00 C ATOM 1007 C ALA A 63 2.477 4.399 8.477 1.00 0.00 C ATOM 1008 O ALA A 63 1.446 5.041 8.525 1.00 0.00 O ATOM 1009 CB ALA A 63 2.487 2.011 9.258 1.00 0.00 C ATOM 0 H ALA A 63 4.225 1.768 7.629 1.00 0.00 H new ATOM 0 HA ALA A 63 1.595 2.789 7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.593 2.191 9.855 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.502 0.971 8.931 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.372 2.215 9.861 1.00 0.00 H new ATOM 1015 N LEU A 64 3.619 4.926 8.815 1.00 0.00 N ATOM 1016 CA LEU A 64 3.690 6.347 9.265 1.00 0.00 C ATOM 1017 C LEU A 64 3.604 7.315 8.077 1.00 0.00 C ATOM 1018 O LEU A 64 2.663 8.075 7.946 1.00 0.00 O ATOM 1019 CB LEU A 64 5.047 6.474 9.957 1.00 0.00 C ATOM 1020 CG LEU A 64 5.091 5.547 11.173 1.00 0.00 C ATOM 1021 CD1 LEU A 64 6.495 5.569 11.787 1.00 0.00 C ATOM 1022 CD2 LEU A 64 4.072 6.024 12.210 1.00 0.00 C ATOM 0 H LEU A 64 4.512 4.433 8.800 1.00 0.00 H new ATOM 0 HA LEU A 64 2.860 6.600 9.925 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.846 6.217 9.262 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.213 7.506 10.267 1.00 0.00 H new ATOM 0 HG LEU A 64 4.849 4.530 10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.524 4.908 12.653 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.221 5.230 11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.740 6.585 12.098 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.101 5.365 13.078 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.315 7.041 12.518 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.073 6.006 11.774 1.00 0.00 H new ATOM 1034 N GLU A 65 4.600 7.313 7.230 1.00 0.00 N ATOM 1035 CA GLU A 65 4.619 8.254 6.064 1.00 0.00 C ATOM 1036 C GLU A 65 3.489 7.973 5.064 1.00 0.00 C ATOM 1037 O GLU A 65 3.124 8.835 4.289 1.00 0.00 O ATOM 1038 CB GLU A 65 5.982 8.027 5.406 1.00 0.00 C ATOM 1039 CG GLU A 65 6.332 9.226 4.521 1.00 0.00 C ATOM 1040 CD GLU A 65 5.603 9.103 3.181 1.00 0.00 C ATOM 1041 OE1 GLU A 65 5.469 7.992 2.701 1.00 0.00 O ATOM 1042 OE2 GLU A 65 5.190 10.126 2.659 1.00 0.00 O ATOM 0 H GLU A 65 5.409 6.695 7.294 1.00 0.00 H new ATOM 0 HA GLU A 65 4.467 9.283 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.747 7.890 6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.961 7.115 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.047 10.153 5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.409 9.269 4.358 1.00 0.00 H new ATOM 1049 N THR A 66 2.935 6.787 5.053 1.00 0.00 N ATOM 1050 CA THR A 66 1.840 6.491 4.072 1.00 0.00 C ATOM 1051 C THR A 66 0.739 7.559 4.146 1.00 0.00 C ATOM 1052 O THR A 66 0.278 8.051 3.134 1.00 0.00 O ATOM 1053 CB THR A 66 1.289 5.115 4.457 1.00 0.00 C ATOM 1054 OG1 THR A 66 0.199 4.791 3.604 1.00 0.00 O ATOM 1055 CG2 THR A 66 0.810 5.131 5.909 1.00 0.00 C ATOM 0 H THR A 66 3.188 6.017 5.672 1.00 0.00 H new ATOM 0 HA THR A 66 2.212 6.497 3.048 1.00 0.00 H new ATOM 0 HB THR A 66 2.077 4.370 4.350 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.155 3.910 3.846 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.420 4.148 6.174 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.645 5.379 6.565 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.024 5.877 6.025 1.00 0.00 H new ATOM 1063 N LEU A 67 0.315 7.927 5.328 1.00 0.00 N ATOM 1064 CA LEU A 67 -0.750 8.968 5.444 1.00 0.00 C ATOM 1065 C LEU A 67 -0.133 10.321 5.809 1.00 0.00 C ATOM 1066 O LEU A 67 -0.383 11.322 5.165 1.00 0.00 O ATOM 1067 CB LEU A 67 -1.667 8.477 6.565 1.00 0.00 C ATOM 1068 CG LEU A 67 -2.502 7.297 6.065 1.00 0.00 C ATOM 1069 CD1 LEU A 67 -3.169 6.603 7.254 1.00 0.00 C ATOM 1070 CD2 LEU A 67 -3.580 7.806 5.105 1.00 0.00 C ATOM 0 H LEU A 67 0.658 7.554 6.213 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.291 9.109 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.074 8.176 7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.321 9.285 6.894 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.855 6.589 5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.764 5.762 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.403 6.241 7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.815 7.311 7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.176 6.966 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.226 8.514 5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.107 8.302 4.257 1.00 0.00 H new ATOM 1082 N LEU A 68 0.675 10.354 6.836 1.00 0.00 N ATOM 1083 CA LEU A 68 1.314 11.640 7.247 1.00 0.00 C ATOM 1084 C LEU A 68 2.717 11.378 7.804 1.00 0.00 C ATOM 1085 O LEU A 68 2.928 10.453 8.563 1.00 0.00 O ATOM 1086 CB LEU A 68 0.401 12.209 8.337 1.00 0.00 C ATOM 1087 CG LEU A 68 -0.821 12.863 7.692 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -1.783 13.335 8.784 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -0.375 14.065 6.851 1.00 0.00 C ATOM 0 H LEU A 68 0.920 9.546 7.408 1.00 0.00 H new ATOM 0 HA LEU A 68 1.427 12.330 6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.086 11.414 9.013 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.944 12.940 8.935 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.324 12.138 7.052 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.654 13.801 8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.101 12.481 9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.279 14.059 9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.247 14.531 6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.129 14.790 7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.310 13.730 6.072 1.00 0.00 H new ATOM 1101 N LEU A 69 3.675 12.187 7.436 1.00 0.00 N ATOM 1102 CA LEU A 69 5.062 11.983 7.951 1.00 0.00 C ATOM 1103 C LEU A 69 5.238 12.704 9.293 1.00 0.00 C ATOM 1104 O LEU A 69 4.998 13.889 9.407 1.00 0.00 O ATOM 1105 CB LEU A 69 5.981 12.587 6.883 1.00 0.00 C ATOM 1106 CG LEU A 69 5.714 14.092 6.752 1.00 0.00 C ATOM 1107 CD1 LEU A 69 6.849 14.874 7.414 1.00 0.00 C ATOM 1108 CD2 LEU A 69 5.636 14.470 5.270 1.00 0.00 C ATOM 0 H LEU A 69 3.558 12.978 6.803 1.00 0.00 H new ATOM 0 HA LEU A 69 5.287 10.931 8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.024 12.416 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.812 12.095 5.925 1.00 0.00 H new ATOM 0 HG LEU A 69 4.771 14.335 7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.658 15.943 7.320 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.907 14.607 8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.792 14.630 6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.446 15.539 5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.579 14.225 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.827 13.915 4.795 1.00 0.00 H new ATOM 1120 N ASN A 70 5.658 11.995 10.308 1.00 0.00 N ATOM 1121 CA ASN A 70 5.849 12.639 11.643 1.00 0.00 C ATOM 1122 C ASN A 70 7.117 12.101 12.314 1.00 0.00 C ATOM 1123 O ASN A 70 7.523 10.980 12.082 1.00 0.00 O ATOM 1124 CB ASN A 70 4.609 12.254 12.452 1.00 0.00 C ATOM 1125 CG ASN A 70 4.574 13.063 13.748 1.00 0.00 C ATOM 1126 OD1 ASN A 70 5.351 12.822 14.652 1.00 0.00 O ATOM 1127 ND2 ASN A 70 3.699 14.023 13.880 1.00 0.00 N ATOM 0 H ASN A 70 5.877 10.999 10.271 1.00 0.00 H new ATOM 0 HA ASN A 70 5.965 13.720 11.566 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.708 12.443 11.868 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.625 11.188 12.677 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.668 14.570 14.740 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.047 14.226 13.123 1.00 0.00 H new ATOM 1134 N GLY A 71 7.741 12.893 13.144 1.00 0.00 N ATOM 1135 CA GLY A 71 8.981 12.431 13.830 1.00 0.00 C ATOM 1136 C GLY A 71 8.637 11.317 14.820 1.00 0.00 C ATOM 1137 O GLY A 71 9.315 10.311 14.895 1.00 0.00 O ATOM 0 H GLY A 71 7.445 13.841 13.376 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.701 12.069 13.096 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.451 13.264 14.353 1.00 0.00 H new ATOM 1141 N VAL A 72 7.587 11.488 15.582 1.00 0.00 N ATOM 1142 CA VAL A 72 7.198 10.436 16.569 1.00 0.00 C ATOM 1143 C VAL A 72 5.688 10.185 16.507 1.00 0.00 C ATOM 1144 O VAL A 72 4.894 11.100 16.596 1.00 0.00 O ATOM 1145 CB VAL A 72 7.588 11.002 17.937 1.00 0.00 C ATOM 1146 CG1 VAL A 72 7.336 9.946 19.015 1.00 0.00 C ATOM 1147 CG2 VAL A 72 9.073 11.377 17.935 1.00 0.00 C ATOM 0 H VAL A 72 6.983 12.310 15.563 1.00 0.00 H new ATOM 0 HA VAL A 72 7.690 9.484 16.368 1.00 0.00 H new ATOM 0 HB VAL A 72 6.989 11.889 18.144 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.613 10.348 19.990 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.280 9.677 19.021 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.935 9.060 18.804 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.348 11.780 18.910 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.672 10.490 17.727 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.258 12.128 17.167 1.00 0.00 H new ATOM 1157 N LEU A 73 5.289 8.950 16.351 1.00 0.00 N ATOM 1158 CA LEU A 73 3.832 8.635 16.278 1.00 0.00 C ATOM 1159 C LEU A 73 3.554 7.278 16.935 1.00 0.00 C ATOM 1160 O LEU A 73 4.334 6.353 16.820 1.00 0.00 O ATOM 1161 CB LEU A 73 3.522 8.594 14.778 1.00 0.00 C ATOM 1162 CG LEU A 73 2.013 8.742 14.531 1.00 0.00 C ATOM 1163 CD1 LEU A 73 1.283 7.495 15.032 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.478 9.978 15.263 1.00 0.00 C ATOM 0 H LEU A 73 5.910 8.145 16.271 1.00 0.00 H new ATOM 0 HA LEU A 73 3.214 9.365 16.801 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.059 9.394 14.269 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.874 7.654 14.354 1.00 0.00 H new ATOM 0 HG LEU A 73 1.840 8.859 13.461 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.213 7.604 14.855 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.652 6.619 14.499 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.463 7.372 16.100 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.408 10.074 15.081 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.656 9.873 16.333 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.989 10.868 14.896 1.00 0.00 H new ATOM 1176 N THR A 74 2.451 7.154 17.626 1.00 0.00 N ATOM 1177 CA THR A 74 2.127 5.856 18.292 1.00 0.00 C ATOM 1178 C THR A 74 1.277 4.980 17.369 1.00 0.00 C ATOM 1179 O THR A 74 0.444 5.467 16.628 1.00 0.00 O ATOM 1180 CB THR A 74 1.336 6.240 19.544 1.00 0.00 C ATOM 1181 OG1 THR A 74 0.351 7.205 19.203 1.00 0.00 O ATOM 1182 CG2 THR A 74 2.285 6.823 20.592 1.00 0.00 C ATOM 0 H THR A 74 1.761 7.894 17.758 1.00 0.00 H new ATOM 0 HA THR A 74 3.023 5.283 18.533 1.00 0.00 H new ATOM 0 HB THR A 74 0.850 5.354 19.952 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.157 7.451 20.004 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.720 7.096 21.483 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.039 6.080 20.854 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.774 7.709 20.187 1.00 0.00 H new ATOM 1190 N LEU A 75 1.477 3.687 17.410 1.00 0.00 N ATOM 1191 CA LEU A 75 0.679 2.776 16.540 1.00 0.00 C ATOM 1192 C LEU A 75 -0.408 2.083 17.364 1.00 0.00 C ATOM 1193 O LEU A 75 -0.143 1.544 18.420 1.00 0.00 O ATOM 1194 CB LEU A 75 1.679 1.748 16.007 1.00 0.00 C ATOM 1195 CG LEU A 75 2.790 2.458 15.226 1.00 0.00 C ATOM 1196 CD1 LEU A 75 4.026 2.603 16.114 1.00 0.00 C ATOM 1197 CD2 LEU A 75 3.148 1.631 13.987 1.00 0.00 C ATOM 0 H LEU A 75 2.160 3.224 18.010 1.00 0.00 H new ATOM 0 HA LEU A 75 0.180 3.312 15.733 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.108 1.182 16.834 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.169 1.032 15.362 1.00 0.00 H new ATOM 0 HG LEU A 75 2.445 3.446 14.920 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.816 3.108 15.558 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.773 3.189 16.998 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.372 1.616 16.420 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.938 2.134 13.430 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.493 0.644 14.296 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.268 1.526 13.353 1.00 0.00 H new ATOM 1209 N VAL A 76 -1.624 2.092 16.892 1.00 0.00 N ATOM 1210 CA VAL A 76 -2.722 1.428 17.652 1.00 0.00 C ATOM 1211 C VAL A 76 -3.457 0.425 16.759 1.00 0.00 C ATOM 1212 O VAL A 76 -3.251 0.374 15.562 1.00 0.00 O ATOM 1213 CB VAL A 76 -3.662 2.559 18.079 1.00 0.00 C ATOM 1214 CG1 VAL A 76 -2.919 3.511 19.017 1.00 0.00 C ATOM 1215 CG2 VAL A 76 -4.137 3.327 16.842 1.00 0.00 C ATOM 0 H VAL A 76 -1.905 2.529 16.015 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.345 0.871 18.510 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.524 2.138 18.596 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.587 4.317 19.322 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.583 2.965 19.899 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.056 3.931 18.500 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.806 4.131 17.148 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.276 3.748 16.323 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.667 2.648 16.174 1.00 0.00 H new ATOM 1225 N LEU A 77 -4.311 -0.372 17.339 1.00 0.00 N ATOM 1226 CA LEU A 77 -5.067 -1.382 16.538 1.00 0.00 C ATOM 1227 C LEU A 77 -6.512 -1.472 17.038 1.00 0.00 C ATOM 1228 O LEU A 77 -6.761 -1.756 18.193 1.00 0.00 O ATOM 1229 CB LEU A 77 -4.336 -2.709 16.770 1.00 0.00 C ATOM 1230 CG LEU A 77 -4.167 -2.959 18.276 1.00 0.00 C ATOM 1231 CD1 LEU A 77 -4.897 -4.242 18.681 1.00 0.00 C ATOM 1232 CD2 LEU A 77 -2.678 -3.096 18.606 1.00 0.00 C ATOM 0 H LEU A 77 -4.520 -0.369 18.337 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.108 -1.122 15.480 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.897 -3.527 16.318 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.360 -2.686 16.285 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.591 -2.119 18.826 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.771 -4.410 19.751 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.958 -4.145 18.452 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.482 -5.086 18.130 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.557 -3.273 19.675 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.257 -3.933 18.049 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.158 -2.179 18.329 1.00 0.00 H new ATOM 1244 N GLU A 78 -7.465 -1.230 16.177 1.00 0.00 N ATOM 1245 CA GLU A 78 -8.894 -1.301 16.605 1.00 0.00 C ATOM 1246 C GLU A 78 -9.321 -2.757 16.825 1.00 0.00 C ATOM 1247 O GLU A 78 -10.345 -3.026 17.420 1.00 0.00 O ATOM 1248 CB GLU A 78 -9.686 -0.680 15.453 1.00 0.00 C ATOM 1249 CG GLU A 78 -11.140 -0.483 15.884 1.00 0.00 C ATOM 1250 CD GLU A 78 -11.896 0.287 14.800 1.00 0.00 C ATOM 1251 OE1 GLU A 78 -11.836 -0.130 13.654 1.00 0.00 O ATOM 1252 OE2 GLU A 78 -12.518 1.281 15.132 1.00 0.00 O ATOM 0 H GLU A 78 -7.317 -0.987 15.198 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.063 -0.779 17.547 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.247 0.276 15.169 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.639 -1.325 14.576 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.613 -1.450 16.055 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.180 0.063 16.827 1.00 0.00 H new ATOM 1259 N GLU A 79 -8.547 -3.696 16.347 1.00 0.00 N ATOM 1260 CA GLU A 79 -8.914 -5.133 16.527 1.00 0.00 C ATOM 1261 C GLU A 79 -9.082 -5.467 18.012 1.00 0.00 C ATOM 1262 O GLU A 79 -10.065 -6.056 18.417 1.00 0.00 O ATOM 1263 CB GLU A 79 -7.743 -5.919 15.931 1.00 0.00 C ATOM 1264 CG GLU A 79 -8.200 -7.339 15.592 1.00 0.00 C ATOM 1265 CD GLU A 79 -7.113 -8.044 14.781 1.00 0.00 C ATOM 1266 OE1 GLU A 79 -6.003 -8.151 15.278 1.00 0.00 O ATOM 1267 OE2 GLU A 79 -7.408 -8.466 13.673 1.00 0.00 O ATOM 0 H GLU A 79 -7.677 -3.531 15.840 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.861 -5.375 16.044 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.376 -5.420 15.034 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.915 -5.952 16.639 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.404 -7.895 16.507 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.130 -7.307 15.024 1.00 0.00 H new ATOM 1274 N ASP A 80 -8.127 -5.100 18.827 1.00 0.00 N ATOM 1275 CA ASP A 80 -8.231 -5.404 20.285 1.00 0.00 C ATOM 1276 C ASP A 80 -8.253 -4.112 21.108 1.00 0.00 C ATOM 1277 O ASP A 80 -8.767 -4.077 22.208 1.00 0.00 O ATOM 1278 CB ASP A 80 -6.979 -6.223 20.605 1.00 0.00 C ATOM 1279 CG ASP A 80 -7.155 -6.918 21.957 1.00 0.00 C ATOM 1280 OD1 ASP A 80 -8.252 -7.380 22.224 1.00 0.00 O ATOM 1281 OD2 ASP A 80 -6.190 -6.976 22.699 1.00 0.00 O ATOM 0 H ASP A 80 -7.281 -4.604 18.546 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.148 -5.941 20.527 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.806 -6.963 19.824 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.103 -5.574 20.629 1.00 0.00 H new ATOM 1286 N GLY A 81 -7.698 -3.051 20.586 1.00 0.00 N ATOM 1287 CA GLY A 81 -7.689 -1.763 21.343 1.00 0.00 C ATOM 1288 C GLY A 81 -6.424 -1.680 22.202 1.00 0.00 C ATOM 1289 O GLY A 81 -6.491 -1.584 23.412 1.00 0.00 O ATOM 0 H GLY A 81 -7.251 -3.019 19.670 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.726 -0.922 20.650 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.575 -1.695 21.975 1.00 0.00 H new ATOM 1293 N THR A 82 -5.271 -1.712 21.587 1.00 0.00 N ATOM 1294 CA THR A 82 -4.002 -1.633 22.367 1.00 0.00 C ATOM 1295 C THR A 82 -2.981 -0.752 21.639 1.00 0.00 C ATOM 1296 O THR A 82 -2.926 -0.725 20.424 1.00 0.00 O ATOM 1297 CB THR A 82 -3.497 -3.075 22.456 1.00 0.00 C ATOM 1298 OG1 THR A 82 -4.472 -3.876 23.109 1.00 0.00 O ATOM 1299 CG2 THR A 82 -2.190 -3.113 23.248 1.00 0.00 C ATOM 0 H THR A 82 -5.154 -1.790 20.577 1.00 0.00 H new ATOM 0 HA THR A 82 -4.154 -1.192 23.352 1.00 0.00 H new ATOM 0 HB THR A 82 -3.321 -3.461 21.452 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.151 -4.800 23.166 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.832 -4.141 23.310 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.443 -2.498 22.746 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.362 -2.727 24.253 1.00 0.00 H new ATOM 1307 N ALA A 83 -2.170 -0.037 22.373 1.00 0.00 N ATOM 1308 CA ALA A 83 -1.149 0.840 21.729 1.00 0.00 C ATOM 1309 C ALA A 83 0.202 0.120 21.671 1.00 0.00 C ATOM 1310 O ALA A 83 0.569 -0.599 22.580 1.00 0.00 O ATOM 1311 CB ALA A 83 -1.065 2.075 22.627 1.00 0.00 C ATOM 0 H ALA A 83 -2.171 -0.023 23.393 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.413 1.101 20.704 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.332 2.772 22.220 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.040 2.559 22.672 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.762 1.775 23.630 1.00 0.00 H new ATOM 1317 N VAL A 84 0.941 0.308 20.611 1.00 0.00 N ATOM 1318 CA VAL A 84 2.268 -0.370 20.492 1.00 0.00 C ATOM 1319 C VAL A 84 3.262 0.538 19.760 1.00 0.00 C ATOM 1320 O VAL A 84 2.888 1.331 18.919 1.00 0.00 O ATOM 1321 CB VAL A 84 2.000 -1.635 19.672 1.00 0.00 C ATOM 1322 CG1 VAL A 84 3.276 -2.478 19.601 1.00 0.00 C ATOM 1323 CG2 VAL A 84 0.889 -2.454 20.335 1.00 0.00 C ATOM 0 H VAL A 84 0.685 0.901 19.822 1.00 0.00 H new ATOM 0 HA VAL A 84 2.700 -0.599 21.466 1.00 0.00 H new ATOM 0 HB VAL A 84 1.691 -1.352 18.666 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.085 -3.379 19.017 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.069 -1.899 19.127 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.584 -2.757 20.609 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.701 -3.353 19.749 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.196 -2.735 21.342 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.022 -1.857 20.386 1.00 0.00 H new ATOM 1333 N ASP A 85 4.526 0.424 20.071 1.00 0.00 N ATOM 1334 CA ASP A 85 5.546 1.275 19.392 1.00 0.00 C ATOM 1335 C ASP A 85 6.785 0.443 19.047 1.00 0.00 C ATOM 1336 O ASP A 85 7.882 0.955 18.947 1.00 0.00 O ATOM 1337 CB ASP A 85 5.894 2.367 20.406 1.00 0.00 C ATOM 1338 CG ASP A 85 6.449 1.728 21.683 1.00 0.00 C ATOM 1339 OD1 ASP A 85 5.652 1.325 22.514 1.00 0.00 O ATOM 1340 OD2 ASP A 85 7.660 1.655 21.807 1.00 0.00 O ATOM 0 H ASP A 85 4.896 -0.223 20.767 1.00 0.00 H new ATOM 0 HA ASP A 85 5.176 1.694 18.456 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.629 3.051 19.981 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.007 2.957 20.639 1.00 0.00 H new ATOM 1345 N SER A 86 6.615 -0.841 18.864 1.00 0.00 N ATOM 1346 CA SER A 86 7.780 -1.713 18.529 1.00 0.00 C ATOM 1347 C SER A 86 7.343 -2.834 17.579 1.00 0.00 C ATOM 1348 O SER A 86 6.178 -2.977 17.268 1.00 0.00 O ATOM 1349 CB SER A 86 8.240 -2.290 19.866 1.00 0.00 C ATOM 1350 OG SER A 86 7.117 -2.813 20.563 1.00 0.00 O ATOM 0 H SER A 86 5.719 -1.324 18.932 1.00 0.00 H new ATOM 0 HA SER A 86 8.578 -1.165 18.028 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.978 -3.075 19.702 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.724 -1.516 20.462 1.00 0.00 H new ATOM 0 HG SER A 86 7.409 -3.186 21.421 1.00 0.00 H new ATOM 1356 N GLU A 87 8.273 -3.633 17.120 1.00 0.00 N ATOM 1357 CA GLU A 87 7.915 -4.750 16.193 1.00 0.00 C ATOM 1358 C GLU A 87 6.914 -5.702 16.862 1.00 0.00 C ATOM 1359 O GLU A 87 6.257 -6.485 16.204 1.00 0.00 O ATOM 1360 CB GLU A 87 9.233 -5.473 15.909 1.00 0.00 C ATOM 1361 CG GLU A 87 9.007 -6.565 14.861 1.00 0.00 C ATOM 1362 CD GLU A 87 9.488 -6.075 13.493 1.00 0.00 C ATOM 1363 OE1 GLU A 87 10.604 -5.591 13.419 1.00 0.00 O ATOM 1364 OE2 GLU A 87 8.731 -6.192 12.544 1.00 0.00 O ATOM 0 H GLU A 87 9.265 -3.560 17.347 1.00 0.00 H new ATOM 0 HA GLU A 87 7.444 -4.387 15.279 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.979 -4.763 15.553 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.623 -5.912 16.827 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.545 -7.470 15.143 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.949 -6.824 14.814 1.00 0.00 H new ATOM 1371 N ASP A 88 6.791 -5.640 18.163 1.00 0.00 N ATOM 1372 CA ASP A 88 5.834 -6.541 18.873 1.00 0.00 C ATOM 1373 C ASP A 88 4.396 -6.302 18.389 1.00 0.00 C ATOM 1374 O ASP A 88 3.508 -7.082 18.670 1.00 0.00 O ATOM 1375 CB ASP A 88 5.969 -6.175 20.352 1.00 0.00 C ATOM 1376 CG ASP A 88 5.163 -7.163 21.199 1.00 0.00 C ATOM 1377 OD1 ASP A 88 5.442 -8.348 21.115 1.00 0.00 O ATOM 1378 OD2 ASP A 88 4.284 -6.716 21.919 1.00 0.00 O ATOM 0 H ASP A 88 7.313 -5.003 18.765 1.00 0.00 H new ATOM 0 HA ASP A 88 6.052 -7.593 18.687 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.018 -6.197 20.649 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.611 -5.159 20.520 1.00 0.00 H new ATOM 1383 N PHE A 89 4.161 -5.231 17.670 1.00 0.00 N ATOM 1384 CA PHE A 89 2.778 -4.941 17.168 1.00 0.00 C ATOM 1385 C PHE A 89 2.150 -6.199 16.552 1.00 0.00 C ATOM 1386 O PHE A 89 1.171 -6.720 17.048 1.00 0.00 O ATOM 1387 CB PHE A 89 2.970 -3.850 16.106 1.00 0.00 C ATOM 1388 CG PHE A 89 1.692 -3.654 15.317 1.00 0.00 C ATOM 1389 CD1 PHE A 89 0.456 -3.635 15.969 1.00 0.00 C ATOM 1390 CD2 PHE A 89 1.750 -3.490 13.931 1.00 0.00 C ATOM 1391 CE1 PHE A 89 -0.723 -3.454 15.238 1.00 0.00 C ATOM 1392 CE2 PHE A 89 0.576 -3.308 13.192 1.00 0.00 C ATOM 1393 CZ PHE A 89 -0.675 -3.287 13.839 1.00 0.00 C ATOM 0 H PHE A 89 4.867 -4.543 17.408 1.00 0.00 H new ATOM 0 HA PHE A 89 2.107 -4.623 17.966 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.257 -2.914 16.584 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.782 -4.126 15.433 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.411 -3.760 17.041 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.705 -3.504 13.428 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.675 -3.442 15.748 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.629 -3.183 12.121 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.583 -3.145 13.272 1.00 0.00 H new ATOM 1403 N PHE A 90 2.706 -6.689 15.476 1.00 0.00 N ATOM 1404 CA PHE A 90 2.137 -7.910 14.829 1.00 0.00 C ATOM 1405 C PHE A 90 2.328 -9.136 15.732 1.00 0.00 C ATOM 1406 O PHE A 90 1.738 -10.176 15.507 1.00 0.00 O ATOM 1407 CB PHE A 90 2.929 -8.077 13.532 1.00 0.00 C ATOM 1408 CG PHE A 90 2.567 -6.968 12.575 1.00 0.00 C ATOM 1409 CD1 PHE A 90 1.259 -6.856 12.098 1.00 0.00 C ATOM 1410 CD2 PHE A 90 3.537 -6.052 12.168 1.00 0.00 C ATOM 1411 CE1 PHE A 90 0.916 -5.828 11.212 1.00 0.00 C ATOM 1412 CE2 PHE A 90 3.207 -5.020 11.280 1.00 0.00 C ATOM 1413 CZ PHE A 90 1.889 -4.897 10.793 1.00 0.00 C ATOM 0 H PHE A 90 3.529 -6.298 15.017 1.00 0.00 H new ATOM 0 HA PHE A 90 1.066 -7.815 14.648 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.999 -8.056 13.741 1.00 0.00 H new ATOM 0 HB3 PHE A 90 2.711 -9.046 13.082 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.509 -7.566 12.414 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.547 -6.139 12.539 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.098 -5.747 10.848 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.964 -4.316 10.967 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.629 -4.102 10.110 1.00 0.00 H new ATOM 1423 N GLN A 91 3.143 -9.025 16.747 1.00 0.00 N ATOM 1424 CA GLN A 91 3.369 -10.188 17.656 1.00 0.00 C ATOM 1425 C GLN A 91 2.296 -10.234 18.750 1.00 0.00 C ATOM 1426 O GLN A 91 2.049 -11.266 19.342 1.00 0.00 O ATOM 1427 CB GLN A 91 4.747 -9.944 18.271 1.00 0.00 C ATOM 1428 CG GLN A 91 5.276 -11.244 18.878 1.00 0.00 C ATOM 1429 CD GLN A 91 6.489 -10.939 19.757 1.00 0.00 C ATOM 1430 OE1 GLN A 91 6.604 -11.453 20.853 1.00 0.00 O ATOM 1431 NE2 GLN A 91 7.405 -10.119 19.321 1.00 0.00 N ATOM 0 H GLN A 91 3.662 -8.180 16.986 1.00 0.00 H new ATOM 0 HA GLN A 91 3.316 -11.139 17.125 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.437 -9.579 17.510 1.00 0.00 H new ATOM 0 HB3 GLN A 91 4.682 -9.173 19.038 1.00 0.00 H new ATOM 0 HG2 GLN A 91 4.497 -11.725 19.469 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.553 -11.941 18.087 1.00 0.00 H new ATOM 0 HE21 GLN A 91 7.308 -9.688 18.402 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.218 -9.909 19.900 1.00 0.00 H new ATOM 1440 N LEU A 92 1.660 -9.126 19.023 1.00 0.00 N ATOM 1441 CA LEU A 92 0.607 -9.109 20.082 1.00 0.00 C ATOM 1442 C LEU A 92 -0.759 -9.484 19.495 1.00 0.00 C ATOM 1443 O LEU A 92 -1.711 -9.706 20.218 1.00 0.00 O ATOM 1444 CB LEU A 92 0.591 -7.667 20.598 1.00 0.00 C ATOM 1445 CG LEU A 92 -0.456 -7.527 21.710 1.00 0.00 C ATOM 1446 CD1 LEU A 92 0.180 -6.863 22.931 1.00 0.00 C ATOM 1447 CD2 LEU A 92 -1.617 -6.663 21.211 1.00 0.00 C ATOM 0 H LEU A 92 1.823 -8.232 18.559 1.00 0.00 H new ATOM 0 HA LEU A 92 0.813 -9.829 20.874 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.576 -7.395 20.977 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.363 -6.981 19.782 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.826 -8.515 21.984 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.565 -6.764 23.721 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.008 -7.475 23.288 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.551 -5.876 22.656 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.362 -6.563 22.001 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.244 -5.676 20.936 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.073 -7.134 20.340 1.00 0.00 H new ATOM 1459 N LEU A 93 -0.868 -9.553 18.194 1.00 0.00 N ATOM 1460 CA LEU A 93 -2.176 -9.908 17.573 1.00 0.00 C ATOM 1461 C LEU A 93 -2.017 -11.118 16.649 1.00 0.00 C ATOM 1462 O LEU A 93 -0.950 -11.372 16.124 1.00 0.00 O ATOM 1463 CB LEU A 93 -2.577 -8.675 16.761 1.00 0.00 C ATOM 1464 CG LEU A 93 -2.791 -7.483 17.698 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -1.508 -6.649 17.766 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -3.936 -6.613 17.169 1.00 0.00 C ATOM 0 H LEU A 93 -0.108 -9.379 17.536 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.924 -10.172 18.320 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.802 -8.441 16.031 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.490 -8.878 16.202 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.042 -7.847 18.694 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.661 -5.801 18.433 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.693 -7.266 18.144 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.257 -6.286 16.769 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.087 -5.765 17.837 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.686 -6.250 16.172 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.850 -7.205 17.121 1.00 0.00 H new ATOM 1478 N GLU A 94 -3.072 -11.857 16.436 1.00 0.00 N ATOM 1479 CA GLU A 94 -2.983 -13.040 15.530 1.00 0.00 C ATOM 1480 C GLU A 94 -2.673 -12.562 14.111 1.00 0.00 C ATOM 1481 O GLU A 94 -2.617 -11.375 13.854 1.00 0.00 O ATOM 1482 CB GLU A 94 -4.362 -13.699 15.590 1.00 0.00 C ATOM 1483 CG GLU A 94 -4.211 -15.221 15.507 1.00 0.00 C ATOM 1484 CD GLU A 94 -4.449 -15.839 16.886 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -5.421 -15.462 17.522 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -3.657 -16.677 17.283 1.00 0.00 O ATOM 0 H GLU A 94 -3.990 -11.694 16.849 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.198 -13.738 15.822 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.867 -13.424 16.516 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.983 -13.340 14.769 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.922 -15.628 14.788 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.214 -15.478 15.150 1.00 0.00 H new ATOM 1493 N ASP A 95 -2.464 -13.461 13.186 1.00 0.00 N ATOM 1494 CA ASP A 95 -2.152 -13.017 11.795 1.00 0.00 C ATOM 1495 C ASP A 95 -3.299 -12.167 11.244 1.00 0.00 C ATOM 1496 O ASP A 95 -4.432 -12.604 11.162 1.00 0.00 O ATOM 1497 CB ASP A 95 -2.005 -14.308 10.988 1.00 0.00 C ATOM 1498 CG ASP A 95 -1.658 -13.969 9.537 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -0.814 -13.113 9.336 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -2.246 -14.571 8.652 1.00 0.00 O ATOM 0 H ASP A 95 -2.495 -14.470 13.329 1.00 0.00 H new ATOM 0 HA ASP A 95 -1.251 -12.405 11.749 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.225 -14.934 11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.932 -14.881 11.027 1.00 0.00 H new ATOM 1505 N ASP A 96 -3.008 -10.954 10.862 1.00 0.00 N ATOM 1506 CA ASP A 96 -4.065 -10.057 10.308 1.00 0.00 C ATOM 1507 C ASP A 96 -3.419 -8.823 9.677 1.00 0.00 C ATOM 1508 O ASP A 96 -2.223 -8.632 9.764 1.00 0.00 O ATOM 1509 CB ASP A 96 -4.932 -9.661 11.509 1.00 0.00 C ATOM 1510 CG ASP A 96 -4.060 -9.026 12.596 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -3.298 -8.130 12.273 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -4.170 -9.447 13.735 1.00 0.00 O ATOM 0 H ASP A 96 -2.076 -10.541 10.910 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.656 -10.543 9.532 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.705 -8.959 11.195 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.441 -10.539 11.906 1.00 0.00 H new ATOM 1517 N THR A 97 -4.198 -7.975 9.060 1.00 0.00 N ATOM 1518 CA THR A 97 -3.612 -6.748 8.451 1.00 0.00 C ATOM 1519 C THR A 97 -4.352 -5.510 8.963 1.00 0.00 C ATOM 1520 O THR A 97 -5.446 -5.204 8.532 1.00 0.00 O ATOM 1521 CB THR A 97 -3.804 -6.904 6.941 1.00 0.00 C ATOM 1522 OG1 THR A 97 -3.782 -8.282 6.595 1.00 0.00 O ATOM 1523 CG2 THR A 97 -2.676 -6.174 6.209 1.00 0.00 C ATOM 0 H THR A 97 -5.207 -8.078 8.952 1.00 0.00 H new ATOM 0 HA THR A 97 -2.560 -6.626 8.707 1.00 0.00 H new ATOM 0 HB THR A 97 -4.764 -6.477 6.651 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.907 -8.378 5.628 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.810 -6.283 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.697 -5.116 6.472 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.717 -6.602 6.500 1.00 0.00 H new ATOM 1531 N CYS A 98 -3.754 -4.798 9.878 1.00 0.00 N ATOM 1532 CA CYS A 98 -4.405 -3.574 10.426 1.00 0.00 C ATOM 1533 C CYS A 98 -3.353 -2.485 10.634 1.00 0.00 C ATOM 1534 O CYS A 98 -2.284 -2.738 11.155 1.00 0.00 O ATOM 1535 CB CYS A 98 -5.006 -4.006 11.764 1.00 0.00 C ATOM 1536 SG CYS A 98 -6.071 -2.688 12.400 1.00 0.00 S ATOM 0 H CYS A 98 -2.838 -5.012 10.272 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.165 -3.168 9.758 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -5.581 -4.923 11.637 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.212 -4.223 12.478 1.00 0.00 H new ATOM 0 HG CYS A 98 -6.584 -3.055 13.537 1.00 0.00 H new ATOM 1542 N LEU A 99 -3.639 -1.279 10.229 1.00 0.00 N ATOM 1543 CA LEU A 99 -2.641 -0.187 10.405 1.00 0.00 C ATOM 1544 C LEU A 99 -3.327 1.117 10.814 1.00 0.00 C ATOM 1545 O LEU A 99 -4.295 1.539 10.215 1.00 0.00 O ATOM 1546 CB LEU A 99 -1.976 -0.037 9.035 1.00 0.00 C ATOM 1547 CG LEU A 99 -0.669 0.744 9.180 1.00 0.00 C ATOM 1548 CD1 LEU A 99 0.398 0.129 8.268 1.00 0.00 C ATOM 1549 CD2 LEU A 99 -0.900 2.205 8.785 1.00 0.00 C ATOM 0 H LEU A 99 -4.515 -1.003 9.786 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.921 -0.416 11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.778 -1.019 8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.646 0.481 8.349 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.331 0.698 10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.330 0.686 8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.563 -0.911 8.551 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.061 0.174 7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.032 2.762 8.888 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.238 2.253 7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.658 2.642 9.435 1.00 0.00 H new ATOM 1561 N MET A 100 -2.816 1.761 11.828 1.00 0.00 N ATOM 1562 CA MET A 100 -3.416 3.047 12.281 1.00 0.00 C ATOM 1563 C MET A 100 -2.308 3.979 12.777 1.00 0.00 C ATOM 1564 O MET A 100 -1.430 3.573 13.514 1.00 0.00 O ATOM 1565 CB MET A 100 -4.354 2.670 13.426 1.00 0.00 C ATOM 1566 CG MET A 100 -5.341 3.812 13.678 1.00 0.00 C ATOM 1567 SD MET A 100 -6.726 3.204 14.670 1.00 0.00 S ATOM 1568 CE MET A 100 -7.462 2.142 13.404 1.00 0.00 C ATOM 0 H MET A 100 -2.006 1.450 12.364 1.00 0.00 H new ATOM 0 HA MET A 100 -3.947 3.566 11.483 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.895 1.756 13.181 1.00 0.00 H new ATOM 0 HB3 MET A 100 -3.779 2.467 14.329 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.841 4.631 14.195 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.705 4.208 12.730 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.545 2.266 13.410 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.071 2.418 12.425 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.214 1.101 13.613 1.00 0.00 H new ATOM 1578 N VAL A 101 -2.335 5.221 12.378 1.00 0.00 N ATOM 1579 CA VAL A 101 -1.276 6.168 12.829 1.00 0.00 C ATOM 1580 C VAL A 101 -1.906 7.495 13.260 1.00 0.00 C ATOM 1581 O VAL A 101 -2.442 8.230 12.455 1.00 0.00 O ATOM 1582 CB VAL A 101 -0.385 6.362 11.599 1.00 0.00 C ATOM 1583 CG1 VAL A 101 0.725 7.363 11.913 1.00 0.00 C ATOM 1584 CG2 VAL A 101 0.240 5.019 11.209 1.00 0.00 C ATOM 0 H VAL A 101 -3.042 5.620 11.761 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.715 5.796 13.686 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.989 6.742 10.775 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.355 7.496 11.033 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.284 8.320 12.191 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.330 6.988 12.739 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.875 5.154 10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.840 4.642 12.038 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.549 4.304 10.978 1.00 0.00 H new ATOM 1594 N LEU A 102 -1.838 7.807 14.527 1.00 0.00 N ATOM 1595 CA LEU A 102 -2.426 9.087 15.017 1.00 0.00 C ATOM 1596 C LEU A 102 -1.610 9.633 16.193 1.00 0.00 C ATOM 1597 O LEU A 102 -0.702 8.989 16.683 1.00 0.00 O ATOM 1598 CB LEU A 102 -3.853 8.739 15.452 1.00 0.00 C ATOM 1599 CG LEU A 102 -3.824 7.625 16.504 1.00 0.00 C ATOM 1600 CD1 LEU A 102 -5.094 7.699 17.352 1.00 0.00 C ATOM 1601 CD2 LEU A 102 -3.757 6.262 15.807 1.00 0.00 C ATOM 0 H LEU A 102 -1.400 7.229 15.245 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.421 9.861 14.249 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.343 9.623 15.860 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.437 8.420 14.589 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.949 7.749 17.141 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.077 6.908 18.102 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.144 8.668 17.848 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.967 7.574 16.712 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.736 5.471 16.556 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.632 6.136 15.170 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.854 6.209 15.198 1.00 0.00 H new ATOM 1613 N GLN A 103 -1.929 10.814 16.650 1.00 0.00 N ATOM 1614 CA GLN A 103 -1.175 11.402 17.795 1.00 0.00 C ATOM 1615 C GLN A 103 -1.712 10.853 19.120 1.00 0.00 C ATOM 1616 O GLN A 103 -2.855 10.448 19.215 1.00 0.00 O ATOM 1617 CB GLN A 103 -1.419 12.907 17.697 1.00 0.00 C ATOM 1618 CG GLN A 103 -0.588 13.632 18.757 1.00 0.00 C ATOM 1619 CD GLN A 103 -1.039 15.090 18.856 1.00 0.00 C ATOM 1620 OE1 GLN A 103 -2.221 15.368 18.911 1.00 0.00 O ATOM 1621 NE2 GLN A 103 -0.144 16.038 18.879 1.00 0.00 N ATOM 0 H GLN A 103 -2.679 11.397 16.280 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.113 11.159 17.760 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -1.151 13.265 16.703 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -2.478 13.124 17.839 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.702 13.139 19.723 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.470 13.585 18.499 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.848 15.804 18.833 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.436 17.013 18.943 1.00 0.00 H new ATOM 1630 N SER A 104 -0.898 10.836 20.141 1.00 0.00 N ATOM 1631 CA SER A 104 -1.360 10.312 21.460 1.00 0.00 C ATOM 1632 C SER A 104 -2.529 11.153 21.984 1.00 0.00 C ATOM 1633 O SER A 104 -2.821 12.214 21.469 1.00 0.00 O ATOM 1634 CB SER A 104 -0.150 10.441 22.388 1.00 0.00 C ATOM 1635 OG SER A 104 0.305 11.786 22.382 1.00 0.00 O ATOM 0 H SER A 104 0.068 11.163 20.119 1.00 0.00 H new ATOM 0 HA SER A 104 -1.713 9.283 21.392 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.420 10.141 23.400 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.647 9.774 22.060 1.00 0.00 H new ATOM 0 HG SER A 104 1.079 11.872 22.977 1.00 0.00 H new ATOM 1641 N GLY A 105 -3.200 10.683 23.001 1.00 0.00 N ATOM 1642 CA GLY A 105 -4.350 11.451 23.558 1.00 0.00 C ATOM 1643 C GLY A 105 -5.637 11.039 22.841 1.00 0.00 C ATOM 1644 O GLY A 105 -6.538 11.834 22.655 1.00 0.00 O ATOM 0 H GLY A 105 -3.001 9.800 23.470 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.442 11.263 24.628 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.180 12.521 23.435 1.00 0.00 H new ATOM 1648 N GLN A 106 -5.730 9.799 22.438 1.00 0.00 N ATOM 1649 CA GLN A 106 -6.958 9.332 21.732 1.00 0.00 C ATOM 1650 C GLN A 106 -7.333 7.925 22.203 1.00 0.00 C ATOM 1651 O GLN A 106 -6.508 7.190 22.708 1.00 0.00 O ATOM 1652 CB GLN A 106 -6.582 9.317 20.249 1.00 0.00 C ATOM 1653 CG GLN A 106 -7.836 9.082 19.406 1.00 0.00 C ATOM 1654 CD GLN A 106 -7.562 9.489 17.958 1.00 0.00 C ATOM 1655 OE1 GLN A 106 -6.726 10.333 17.699 1.00 0.00 O ATOM 1656 NE2 GLN A 106 -8.234 8.921 16.994 1.00 0.00 N ATOM 0 H GLN A 106 -5.008 9.090 22.568 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.817 9.974 21.928 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.117 10.263 19.972 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.850 8.533 20.057 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.126 8.032 19.451 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.669 9.660 19.806 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.936 8.213 17.210 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.058 9.185 16.025 1.00 0.00 H new ATOM 1665 N SER A 107 -8.572 7.546 22.043 1.00 0.00 N ATOM 1666 CA SER A 107 -9.002 6.186 22.481 1.00 0.00 C ATOM 1667 C SER A 107 -9.657 5.437 21.318 1.00 0.00 C ATOM 1668 O SER A 107 -9.893 5.993 20.264 1.00 0.00 O ATOM 1669 CB SER A 107 -10.016 6.432 23.600 1.00 0.00 C ATOM 1670 OG SER A 107 -9.495 7.401 24.499 1.00 0.00 O ATOM 0 H SER A 107 -9.306 8.120 21.628 1.00 0.00 H new ATOM 0 HA SER A 107 -8.163 5.577 22.818 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.961 6.778 23.181 1.00 0.00 H new ATOM 0 HB3 SER A 107 -10.224 5.502 24.129 1.00 0.00 H new ATOM 0 HG SER A 107 -10.142 7.563 25.217 1.00 0.00 H new