USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 308 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 Single : A 42 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.237) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.9!) USER MOD Single : A 50 THR OG1 : rot -78:sc= 0.799! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0175 K(o=-0.017,f=-0.93) USER MOD Single : A 54 GLN : amide:sc= -0.195 K(o=-0.19,f=-1.8!) USER MOD Single : A 57 CYS SG : rot 180:sc= -1.33 USER MOD Single : A 62 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.28) USER MOD Single : A 64 CYS SG : rot 156:sc= -2.41 USER MOD Single : A 65 ASN : amide:sc= -1.27! C(o=-1.3!,f=-1.1!) USER MOD Single : A 69 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.48) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 527 N ALA A 37 -5.514 -10.143 9.868 1.00 0.00 N ATOM 528 CA ALA A 37 -5.298 -9.724 11.242 1.00 0.00 C ATOM 529 C ALA A 37 -4.002 -8.916 11.327 1.00 0.00 C ATOM 530 O ALA A 37 -4.010 -7.765 11.760 1.00 0.00 O ATOM 531 CB ALA A 37 -5.281 -10.952 12.154 1.00 0.00 C ATOM 0 HA ALA A 37 -6.110 -9.080 11.579 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.119 -10.637 13.185 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.235 -11.474 12.080 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.477 -11.621 11.848 1.00 0.00 H new ATOM 537 N ASP A 38 -2.918 -9.552 10.906 1.00 0.00 N ATOM 538 CA ASP A 38 -1.616 -8.907 10.929 1.00 0.00 C ATOM 539 C ASP A 38 -1.759 -7.462 10.446 1.00 0.00 C ATOM 540 O ASP A 38 -1.545 -6.524 11.213 1.00 0.00 O ATOM 541 CB ASP A 38 -0.631 -9.620 10.000 1.00 0.00 C ATOM 542 CG ASP A 38 -0.459 -11.117 10.267 1.00 0.00 C ATOM 543 OD1 ASP A 38 -1.255 -11.645 11.074 1.00 0.00 O ATOM 544 OD2 ASP A 38 0.465 -11.699 9.659 1.00 0.00 O ATOM 0 H ASP A 38 -2.915 -10.507 10.547 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.239 -8.945 11.951 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.963 -9.486 8.971 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.342 -9.137 10.087 1.00 0.00 H new ATOM 549 N PHE A 39 -2.119 -7.328 9.178 1.00 0.00 N ATOM 550 CA PHE A 39 -2.293 -6.013 8.585 1.00 0.00 C ATOM 551 C PHE A 39 -3.253 -5.159 9.415 1.00 0.00 C ATOM 552 O PHE A 39 -3.001 -3.977 9.640 1.00 0.00 O ATOM 553 CB PHE A 39 -2.892 -6.227 7.193 1.00 0.00 C ATOM 554 CG PHE A 39 -3.206 -4.929 6.445 1.00 0.00 C ATOM 555 CD1 PHE A 39 -2.201 -4.073 6.118 1.00 0.00 C ATOM 556 CD2 PHE A 39 -4.489 -4.632 6.107 1.00 0.00 C ATOM 557 CE1 PHE A 39 -2.492 -2.869 5.424 1.00 0.00 C ATOM 558 CE2 PHE A 39 -4.780 -3.428 5.413 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.776 -2.572 5.086 1.00 0.00 C ATOM 0 H PHE A 39 -2.295 -8.108 8.545 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.335 -5.495 8.541 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.198 -6.819 6.597 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.808 -6.810 7.288 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.182 -4.309 6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.287 -5.312 6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.694 -2.189 5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.799 -3.192 5.145 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.997 -1.656 4.558 1.00 0.00 H new ATOM 569 N GLU A 40 -4.334 -5.792 9.848 1.00 0.00 N ATOM 570 CA GLU A 40 -5.333 -5.105 10.648 1.00 0.00 C ATOM 571 C GLU A 40 -4.679 -4.453 11.869 1.00 0.00 C ATOM 572 O GLU A 40 -4.784 -3.243 12.061 1.00 0.00 O ATOM 573 CB GLU A 40 -6.450 -6.061 11.070 1.00 0.00 C ATOM 574 CG GLU A 40 -7.557 -6.112 10.014 1.00 0.00 C ATOM 575 CD GLU A 40 -8.763 -6.905 10.521 1.00 0.00 C ATOM 576 OE1 GLU A 40 -9.431 -6.394 11.445 1.00 0.00 O ATOM 577 OE2 GLU A 40 -8.989 -8.005 9.973 1.00 0.00 O ATOM 0 H GLU A 40 -4.539 -6.773 9.660 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.782 -4.321 10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.041 -7.060 11.221 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.867 -5.740 12.024 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.866 -5.099 9.757 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.174 -6.570 9.102 1.00 0.00 H new ATOM 584 N GLU A 41 -4.019 -5.285 12.661 1.00 0.00 N ATOM 585 CA GLU A 41 -3.349 -4.805 13.857 1.00 0.00 C ATOM 586 C GLU A 41 -2.460 -3.606 13.522 1.00 0.00 C ATOM 587 O GLU A 41 -2.374 -2.656 14.299 1.00 0.00 O ATOM 588 CB GLU A 41 -2.537 -5.922 14.516 1.00 0.00 C ATOM 589 CG GLU A 41 -3.124 -6.297 15.878 1.00 0.00 C ATOM 590 CD GLU A 41 -3.230 -5.069 16.785 1.00 0.00 C ATOM 591 OE1 GLU A 41 -4.293 -4.413 16.730 1.00 0.00 O ATOM 592 OE2 GLU A 41 -2.247 -4.814 17.514 1.00 0.00 O ATOM 0 H GLU A 41 -3.934 -6.288 12.498 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.107 -4.482 14.570 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.525 -6.798 13.868 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.503 -5.601 14.638 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.110 -6.741 15.743 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.497 -7.052 16.353 1.00 0.00 H new ATOM 599 N LYS A 42 -1.820 -3.688 12.365 1.00 0.00 N ATOM 600 CA LYS A 42 -0.941 -2.621 11.918 1.00 0.00 C ATOM 601 C LYS A 42 -1.754 -1.337 11.742 1.00 0.00 C ATOM 602 O LYS A 42 -1.459 -0.321 12.369 1.00 0.00 O ATOM 603 CB LYS A 42 -0.181 -3.045 10.659 1.00 0.00 C ATOM 604 CG LYS A 42 0.959 -4.005 11.005 1.00 0.00 C ATOM 605 CD LYS A 42 2.099 -3.890 9.991 1.00 0.00 C ATOM 606 CE LYS A 42 3.338 -4.649 10.471 1.00 0.00 C ATOM 607 NZ LYS A 42 4.060 -3.866 11.499 1.00 0.00 N ATOM 0 H LYS A 42 -1.893 -4.477 11.723 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.178 -2.416 12.669 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.866 -3.525 9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.220 -2.164 10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.333 -3.785 12.005 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.585 -5.029 11.022 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.776 -4.286 9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.348 -2.840 9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.044 -5.615 10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.999 -4.849 9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.058 -3.769 11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.631 -2.922 11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.999 -4.355 12.415 1.00 0.00 H new ATOM 621 N VAL A 43 -2.761 -1.424 10.886 1.00 0.00 N ATOM 622 CA VAL A 43 -3.618 -0.282 10.619 1.00 0.00 C ATOM 623 C VAL A 43 -3.900 0.456 11.930 1.00 0.00 C ATOM 624 O VAL A 43 -3.640 1.653 12.041 1.00 0.00 O ATOM 625 CB VAL A 43 -4.892 -0.738 9.905 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.923 0.391 9.847 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.576 -1.264 8.503 1.00 0.00 C ATOM 0 H VAL A 43 -3.003 -2.269 10.368 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.120 0.420 9.950 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.324 -1.556 10.481 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.819 0.040 9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.182 0.700 10.860 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.504 1.239 9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.499 -1.582 8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.109 -0.474 7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.895 -2.112 8.577 1.00 0.00 H new ATOM 637 N LYS A 44 -4.427 -0.290 12.890 1.00 0.00 N ATOM 638 CA LYS A 44 -4.746 0.278 14.189 1.00 0.00 C ATOM 639 C LYS A 44 -3.507 0.973 14.756 1.00 0.00 C ATOM 640 O LYS A 44 -3.586 2.108 15.222 1.00 0.00 O ATOM 641 CB LYS A 44 -5.328 -0.793 15.113 1.00 0.00 C ATOM 642 CG LYS A 44 -6.833 -0.954 14.888 1.00 0.00 C ATOM 643 CD LYS A 44 -7.406 -2.057 15.780 1.00 0.00 C ATOM 644 CE LYS A 44 -7.658 -1.539 17.198 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.073 -1.137 17.359 1.00 0.00 N ATOM 0 H LYS A 44 -4.641 -1.283 12.794 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.521 1.038 14.092 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.826 -1.744 14.934 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.139 -0.523 16.152 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.339 -0.012 15.099 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.024 -1.191 13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.338 -2.428 15.353 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.714 -2.899 15.814 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.409 -2.313 17.924 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.007 -0.689 17.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.227 -0.788 18.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.299 -0.383 16.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.689 -1.957 17.185 1.00 0.00 H new ATOM 659 N GLN A 45 -2.390 0.262 14.697 1.00 0.00 N ATOM 660 CA GLN A 45 -1.136 0.796 15.198 1.00 0.00 C ATOM 661 C GLN A 45 -0.864 2.173 14.591 1.00 0.00 C ATOM 662 O GLN A 45 -0.402 3.080 15.281 1.00 0.00 O ATOM 663 CB GLN A 45 0.021 -0.165 14.916 1.00 0.00 C ATOM 664 CG GLN A 45 0.430 -0.918 16.184 1.00 0.00 C ATOM 665 CD GLN A 45 1.771 -0.408 16.716 1.00 0.00 C ATOM 666 OE1 GLN A 45 2.710 -0.166 15.976 1.00 0.00 O ATOM 667 NE2 GLN A 45 1.807 -0.258 18.037 1.00 0.00 N ATOM 0 H GLN A 45 -2.328 -0.680 14.310 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.218 0.907 16.279 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.273 -0.877 14.145 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.874 0.391 14.528 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.338 -0.796 16.947 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.501 -1.985 15.971 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.984 -0.479 18.598 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.657 0.078 18.489 1.00 0.00 H new ATOM 676 N LEU A 46 -1.164 2.288 13.305 1.00 0.00 N ATOM 677 CA LEU A 46 -0.959 3.540 12.597 1.00 0.00 C ATOM 678 C LEU A 46 -1.879 4.611 13.186 1.00 0.00 C ATOM 679 O LEU A 46 -1.423 5.692 13.554 1.00 0.00 O ATOM 680 CB LEU A 46 -1.134 3.338 11.091 1.00 0.00 C ATOM 681 CG LEU A 46 0.084 2.796 10.340 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.273 2.449 8.894 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.258 3.774 10.421 1.00 0.00 C ATOM 0 H LEU A 46 -1.548 1.534 12.735 1.00 0.00 H new ATOM 0 HA LEU A 46 0.064 3.891 12.731 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.968 2.655 10.931 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.414 4.293 10.647 1.00 0.00 H new ATOM 0 HG LEU A 46 0.400 1.872 10.824 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.610 2.066 8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.055 1.690 8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.629 3.343 8.382 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.111 3.365 9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.969 4.727 9.977 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.532 3.928 11.465 1.00 0.00 H new ATOM 695 N ILE A 47 -3.158 4.272 13.256 1.00 0.00 N ATOM 696 CA ILE A 47 -4.147 5.191 13.794 1.00 0.00 C ATOM 697 C ILE A 47 -3.765 5.563 15.228 1.00 0.00 C ATOM 698 O ILE A 47 -3.975 6.697 15.656 1.00 0.00 O ATOM 699 CB ILE A 47 -5.553 4.602 13.665 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.098 4.789 12.248 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.491 5.186 14.723 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.208 3.779 11.949 1.00 0.00 C ATOM 0 H ILE A 47 -3.532 3.374 12.949 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.160 6.116 13.217 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.492 3.529 13.847 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.483 5.802 12.134 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.290 4.671 11.526 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.484 4.751 14.609 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.106 4.957 15.717 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.552 6.267 14.598 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.578 3.934 10.935 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.813 2.767 12.041 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.025 3.915 12.658 1.00 0.00 H new ATOM 714 N ASP A 48 -3.211 4.586 15.931 1.00 0.00 N ATOM 715 CA ASP A 48 -2.798 4.796 17.308 1.00 0.00 C ATOM 716 C ASP A 48 -1.575 5.715 17.334 1.00 0.00 C ATOM 717 O ASP A 48 -1.535 6.680 18.096 1.00 0.00 O ATOM 718 CB ASP A 48 -2.411 3.475 17.974 1.00 0.00 C ATOM 719 CG ASP A 48 -3.400 2.967 19.025 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.533 3.493 19.039 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.000 2.063 19.791 1.00 0.00 O ATOM 0 H ASP A 48 -3.039 3.647 15.573 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.635 5.240 17.847 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.302 2.714 17.201 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.435 3.594 18.443 1.00 0.00 H new ATOM 726 N ILE A 49 -0.607 5.383 16.492 1.00 0.00 N ATOM 727 CA ILE A 49 0.614 6.167 16.410 1.00 0.00 C ATOM 728 C ILE A 49 0.297 7.534 15.801 1.00 0.00 C ATOM 729 O ILE A 49 0.338 8.550 16.494 1.00 0.00 O ATOM 730 CB ILE A 49 1.697 5.394 15.654 1.00 0.00 C ATOM 731 CG1 ILE A 49 2.110 4.136 16.422 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.894 6.293 15.339 1.00 0.00 C ATOM 733 CD1 ILE A 49 2.327 2.959 15.470 1.00 0.00 C ATOM 0 H ILE A 49 -0.643 4.582 15.861 1.00 0.00 H new ATOM 0 HA ILE A 49 1.019 6.347 17.406 1.00 0.00 H new ATOM 0 HB ILE A 49 1.281 5.067 14.701 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.026 4.331 16.980 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.341 3.882 17.151 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.649 5.719 14.802 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.568 7.130 14.722 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.320 6.671 16.268 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.620 2.078 16.041 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.402 2.751 14.931 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.114 3.207 14.758 1.00 0.00 H new ATOM 745 N THR A 50 -0.011 7.516 14.513 1.00 0.00 N ATOM 746 CA THR A 50 -0.335 8.742 13.803 1.00 0.00 C ATOM 747 C THR A 50 -1.734 9.228 14.188 1.00 0.00 C ATOM 748 O THR A 50 -1.877 10.119 15.024 1.00 0.00 O ATOM 749 CB THR A 50 -0.174 8.478 12.305 1.00 0.00 C ATOM 750 OG1 THR A 50 -1.212 7.549 12.003 1.00 0.00 O ATOM 751 CG2 THR A 50 1.113 7.717 11.979 1.00 0.00 C ATOM 0 H THR A 50 -0.043 6.671 13.942 1.00 0.00 H new ATOM 0 HA THR A 50 0.343 9.550 14.080 1.00 0.00 H new ATOM 0 HB THR A 50 -0.181 9.426 11.767 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.943 6.652 12.293 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.178 7.556 10.903 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.973 8.298 12.311 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.106 6.754 12.490 1.00 0.00 H new ATOM 759 N GLY A 51 -2.730 8.620 13.560 1.00 0.00 N ATOM 760 CA GLY A 51 -4.112 8.979 13.827 1.00 0.00 C ATOM 761 C GLY A 51 -4.767 9.596 12.589 1.00 0.00 C ATOM 762 O GLY A 51 -5.671 10.421 12.706 1.00 0.00 O ATOM 0 H GLY A 51 -2.607 7.881 12.867 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.669 8.094 14.134 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.154 9.686 14.656 1.00 0.00 H new ATOM 766 N LYS A 52 -4.285 9.171 11.430 1.00 0.00 N ATOM 767 CA LYS A 52 -4.811 9.671 10.172 1.00 0.00 C ATOM 768 C LYS A 52 -6.023 8.831 9.761 1.00 0.00 C ATOM 769 O LYS A 52 -6.360 7.854 10.428 1.00 0.00 O ATOM 770 CB LYS A 52 -3.710 9.719 9.111 1.00 0.00 C ATOM 771 CG LYS A 52 -2.544 10.597 9.571 1.00 0.00 C ATOM 772 CD LYS A 52 -2.853 12.079 9.349 1.00 0.00 C ATOM 773 CE LYS A 52 -1.568 12.880 9.128 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.821 14.026 8.227 1.00 0.00 N ATOM 0 H LYS A 52 -3.535 8.486 11.336 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.157 10.698 10.286 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.352 8.710 8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.116 10.108 8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.344 10.418 10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.641 10.324 9.025 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.509 12.192 8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.389 12.475 10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.187 13.239 10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.800 12.236 8.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.939 14.559 8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.164 13.677 7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.539 14.649 8.650 1.00 0.00 H new ATOM 788 N ASN A 53 -6.645 9.243 8.666 1.00 0.00 N ATOM 789 CA ASN A 53 -7.811 8.541 8.159 1.00 0.00 C ATOM 790 C ASN A 53 -7.455 7.072 7.924 1.00 0.00 C ATOM 791 O ASN A 53 -6.566 6.764 7.132 1.00 0.00 O ATOM 792 CB ASN A 53 -8.275 9.134 6.827 1.00 0.00 C ATOM 793 CG ASN A 53 -8.929 10.502 7.034 1.00 0.00 C ATOM 794 OD1 ASN A 53 -8.313 11.450 7.491 1.00 0.00 O ATOM 795 ND2 ASN A 53 -10.208 10.550 6.672 1.00 0.00 N ATOM 0 H ASN A 53 -6.363 10.054 8.116 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.609 8.638 8.895 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.424 9.232 6.152 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.984 8.457 6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.734 11.419 6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.663 9.718 6.296 1.00 0.00 H new ATOM 802 N GLN A 54 -8.168 6.204 8.628 1.00 0.00 N ATOM 803 CA GLN A 54 -7.938 4.774 8.506 1.00 0.00 C ATOM 804 C GLN A 54 -7.656 4.404 7.048 1.00 0.00 C ATOM 805 O GLN A 54 -6.629 3.799 6.745 1.00 0.00 O ATOM 806 CB GLN A 54 -9.125 3.979 9.053 1.00 0.00 C ATOM 807 CG GLN A 54 -8.747 2.514 9.280 1.00 0.00 C ATOM 808 CD GLN A 54 -9.687 1.855 10.291 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.523 2.494 10.909 1.00 0.00 O ATOM 810 NE2 GLN A 54 -9.504 0.545 10.426 1.00 0.00 N ATOM 0 H GLN A 54 -8.905 6.463 9.284 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.063 4.515 9.102 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.462 4.421 9.991 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.960 4.039 8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.788 1.974 8.334 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.720 2.451 9.639 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.786 0.071 9.878 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.082 0.014 11.078 1.00 0.00 H new ATOM 819 N ASP A 55 -8.586 4.784 6.184 1.00 0.00 N ATOM 820 CA ASP A 55 -8.450 4.499 4.765 1.00 0.00 C ATOM 821 C ASP A 55 -7.029 4.845 4.314 1.00 0.00 C ATOM 822 O ASP A 55 -6.358 4.028 3.685 1.00 0.00 O ATOM 823 CB ASP A 55 -9.426 5.340 3.939 1.00 0.00 C ATOM 824 CG ASP A 55 -10.746 4.647 3.596 1.00 0.00 C ATOM 825 OD1 ASP A 55 -10.676 3.592 2.928 1.00 0.00 O ATOM 826 OD2 ASP A 55 -11.795 5.187 4.009 1.00 0.00 O ATOM 0 H ASP A 55 -9.436 5.287 6.439 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.665 3.442 4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.646 6.257 4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.935 5.633 3.011 1.00 0.00 H new ATOM 831 N GLU A 56 -6.613 6.056 4.654 1.00 0.00 N ATOM 832 CA GLU A 56 -5.285 6.520 4.291 1.00 0.00 C ATOM 833 C GLU A 56 -4.218 5.642 4.950 1.00 0.00 C ATOM 834 O GLU A 56 -3.331 5.124 4.274 1.00 0.00 O ATOM 835 CB GLU A 56 -5.095 7.990 4.669 1.00 0.00 C ATOM 836 CG GLU A 56 -6.018 8.891 3.846 1.00 0.00 C ATOM 837 CD GLU A 56 -5.271 9.502 2.659 1.00 0.00 C ATOM 838 OE1 GLU A 56 -4.525 8.742 2.005 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.464 10.716 2.431 1.00 0.00 O ATOM 0 H GLU A 56 -7.172 6.730 5.177 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.177 6.441 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.300 8.126 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.057 8.280 4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.870 8.314 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.415 9.685 4.478 1.00 0.00 H new ATOM 846 N CYS A 57 -4.341 5.502 6.262 1.00 0.00 N ATOM 847 CA CYS A 57 -3.398 4.696 7.020 1.00 0.00 C ATOM 848 C CYS A 57 -3.294 3.324 6.352 1.00 0.00 C ATOM 849 O CYS A 57 -2.195 2.839 6.088 1.00 0.00 O ATOM 850 CB CYS A 57 -3.803 4.586 8.491 1.00 0.00 C ATOM 851 SG CYS A 57 -3.436 6.153 9.361 1.00 0.00 S ATOM 0 H CYS A 57 -5.079 5.933 6.819 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.419 5.176 7.016 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.866 4.358 8.568 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.266 3.764 8.964 1.00 0.00 H new ATOM 0 HG CYS A 57 -3.786 6.049 10.609 1.00 0.00 H new ATOM 857 N VAL A 58 -4.454 2.736 6.096 1.00 0.00 N ATOM 858 CA VAL A 58 -4.507 1.429 5.464 1.00 0.00 C ATOM 859 C VAL A 58 -3.823 1.500 4.098 1.00 0.00 C ATOM 860 O VAL A 58 -3.010 0.639 3.761 1.00 0.00 O ATOM 861 CB VAL A 58 -5.957 0.946 5.382 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.059 -0.347 4.570 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.554 0.764 6.779 1.00 0.00 C ATOM 0 H VAL A 58 -5.364 3.141 6.315 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.967 0.694 6.061 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.537 1.712 4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.100 -0.669 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.691 -0.172 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.459 -1.123 5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.585 0.420 6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.971 0.027 7.331 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.532 1.715 7.311 1.00 0.00 H new ATOM 873 N ILE A 59 -4.176 2.533 3.347 1.00 0.00 N ATOM 874 CA ILE A 59 -3.606 2.727 2.025 1.00 0.00 C ATOM 875 C ILE A 59 -2.085 2.854 2.144 1.00 0.00 C ATOM 876 O ILE A 59 -1.345 2.088 1.530 1.00 0.00 O ATOM 877 CB ILE A 59 -4.269 3.914 1.325 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.724 3.599 0.970 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.462 4.349 0.100 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.587 4.861 1.020 1.00 0.00 C ATOM 0 H ILE A 59 -4.850 3.245 3.629 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.806 1.862 1.393 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.281 4.755 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.772 3.161 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.119 2.857 1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.955 5.195 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.459 4.642 0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.396 3.520 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.616 4.609 0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.556 5.283 2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.204 5.592 0.308 1.00 0.00 H new ATOM 892 N ALA A 60 -1.665 3.828 2.938 1.00 0.00 N ATOM 893 CA ALA A 60 -0.247 4.066 3.145 1.00 0.00 C ATOM 894 C ALA A 60 0.423 2.766 3.596 1.00 0.00 C ATOM 895 O ALA A 60 1.413 2.336 3.005 1.00 0.00 O ATOM 896 CB ALA A 60 -0.061 5.199 4.156 1.00 0.00 C ATOM 0 H ALA A 60 -2.282 4.462 3.446 1.00 0.00 H new ATOM 0 HA ALA A 60 0.229 4.378 2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.003 5.377 4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.529 6.107 3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.524 4.921 5.103 1.00 0.00 H new ATOM 902 N LEU A 61 -0.144 2.176 4.638 1.00 0.00 N ATOM 903 CA LEU A 61 0.386 0.935 5.175 1.00 0.00 C ATOM 904 C LEU A 61 0.779 0.011 4.020 1.00 0.00 C ATOM 905 O LEU A 61 1.927 -0.419 3.927 1.00 0.00 O ATOM 906 CB LEU A 61 -0.608 0.307 6.154 1.00 0.00 C ATOM 907 CG LEU A 61 -0.112 -0.924 6.917 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.264 -0.667 7.535 1.00 0.00 C ATOM 909 CD2 LEU A 61 -1.136 -1.371 7.962 1.00 0.00 C ATOM 0 H LEU A 61 -0.965 2.535 5.125 1.00 0.00 H new ATOM 0 HA LEU A 61 1.290 1.126 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.901 1.066 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.506 0.030 5.602 1.00 0.00 H new ATOM 0 HG LEU A 61 0.001 -1.744 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.594 -1.557 8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.979 -0.433 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.201 0.172 8.228 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.759 -2.247 8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.305 -0.563 8.674 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.075 -1.621 7.468 1.00 0.00 H new ATOM 921 N HIS A 62 -0.198 -0.267 3.169 1.00 0.00 N ATOM 922 CA HIS A 62 0.031 -1.131 2.023 1.00 0.00 C ATOM 923 C HIS A 62 0.967 -0.435 1.033 1.00 0.00 C ATOM 924 O HIS A 62 1.982 -1.001 0.629 1.00 0.00 O ATOM 925 CB HIS A 62 -1.295 -1.554 1.388 1.00 0.00 C ATOM 926 CG HIS A 62 -1.165 -2.054 -0.031 1.00 0.00 C ATOM 927 ND1 HIS A 62 -1.349 -3.381 -0.378 1.00 0.00 N ATOM 928 CD2 HIS A 62 -0.868 -1.391 -1.185 1.00 0.00 C ATOM 929 CE1 HIS A 62 -1.167 -3.500 -1.685 1.00 0.00 C ATOM 930 NE2 HIS A 62 -0.869 -2.266 -2.184 1.00 0.00 N ATOM 0 H HIS A 62 -1.150 0.091 3.250 1.00 0.00 H new ATOM 0 HA HIS A 62 0.521 -2.049 2.348 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.745 -2.337 1.998 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -1.980 -0.706 1.402 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.666 -0.334 -1.272 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.242 -4.414 -2.255 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.678 -2.051 -3.163 1.00 0.00 H new ATOM 938 N ASP A 63 0.592 0.784 0.671 1.00 0.00 N ATOM 939 CA ASP A 63 1.386 1.563 -0.264 1.00 0.00 C ATOM 940 C ASP A 63 2.870 1.389 0.064 1.00 0.00 C ATOM 941 O ASP A 63 3.668 1.060 -0.811 1.00 0.00 O ATOM 942 CB ASP A 63 1.051 3.053 -0.162 1.00 0.00 C ATOM 943 CG ASP A 63 1.208 3.841 -1.464 1.00 0.00 C ATOM 944 OD1 ASP A 63 2.332 3.818 -2.009 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.200 4.449 -1.884 1.00 0.00 O ATOM 0 H ASP A 63 -0.250 1.250 1.008 1.00 0.00 H new ATOM 0 HA ASP A 63 1.163 1.210 -1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.023 3.156 0.186 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.691 3.503 0.597 1.00 0.00 H new ATOM 950 N CYS A 64 3.194 1.618 1.329 1.00 0.00 N ATOM 951 CA CYS A 64 4.569 1.491 1.783 1.00 0.00 C ATOM 952 C CYS A 64 4.991 0.028 1.632 1.00 0.00 C ATOM 953 O CYS A 64 5.798 -0.302 0.764 1.00 0.00 O ATOM 954 CB CYS A 64 4.737 1.988 3.220 1.00 0.00 C ATOM 955 SG CYS A 64 6.030 3.282 3.287 1.00 0.00 S ATOM 0 H CYS A 64 2.529 1.890 2.053 1.00 0.00 H new ATOM 0 HA CYS A 64 5.217 2.120 1.172 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.792 2.387 3.588 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.008 1.157 3.872 1.00 0.00 H new ATOM 0 HG CYS A 64 5.828 4.044 4.321 1.00 0.00 H new ATOM 961 N ASN A 65 4.427 -0.809 2.490 1.00 0.00 N ATOM 962 CA ASN A 65 4.735 -2.229 2.463 1.00 0.00 C ATOM 963 C ASN A 65 4.171 -2.893 3.720 1.00 0.00 C ATOM 964 O ASN A 65 4.918 -3.458 4.517 1.00 0.00 O ATOM 965 CB ASN A 65 6.246 -2.464 2.441 1.00 0.00 C ATOM 966 CG ASN A 65 6.573 -3.948 2.625 1.00 0.00 C ATOM 967 OD1 ASN A 65 6.116 -4.807 1.889 1.00 0.00 O ATOM 968 ND2 ASN A 65 7.387 -4.200 3.647 1.00 0.00 N ATOM 0 H ASN A 65 3.758 -0.531 3.208 1.00 0.00 H new ATOM 0 HA ASN A 65 4.291 -2.653 1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.659 -2.111 1.496 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.720 -1.883 3.232 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.664 -5.160 3.853 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.734 -3.434 4.224 1.00 0.00 H new ATOM 975 N GLY A 66 2.856 -2.803 3.860 1.00 0.00 N ATOM 976 CA GLY A 66 2.183 -3.388 5.007 1.00 0.00 C ATOM 977 C GLY A 66 3.020 -3.223 6.277 1.00 0.00 C ATOM 978 O GLY A 66 2.960 -4.058 7.178 1.00 0.00 O ATOM 0 H GLY A 66 2.239 -2.333 3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.211 -2.914 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.998 -4.447 4.824 1.00 0.00 H new ATOM 982 N ASP A 67 3.783 -2.139 6.308 1.00 0.00 N ATOM 983 CA ASP A 67 4.631 -1.854 7.452 1.00 0.00 C ATOM 984 C ASP A 67 4.138 -0.580 8.142 1.00 0.00 C ATOM 985 O ASP A 67 4.012 0.465 7.506 1.00 0.00 O ATOM 986 CB ASP A 67 6.081 -1.627 7.020 1.00 0.00 C ATOM 987 CG ASP A 67 7.073 -2.686 7.503 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.048 -3.793 6.924 1.00 0.00 O ATOM 989 OD2 ASP A 67 7.835 -2.365 8.441 1.00 0.00 O ATOM 0 H ASP A 67 3.831 -1.448 5.559 1.00 0.00 H new ATOM 0 HA ASP A 67 4.586 -2.709 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.118 -1.586 5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.405 -0.653 7.387 1.00 0.00 H new ATOM 994 N VAL A 68 3.873 -0.709 9.433 1.00 0.00 N ATOM 995 CA VAL A 68 3.397 0.418 10.216 1.00 0.00 C ATOM 996 C VAL A 68 4.478 1.500 10.254 1.00 0.00 C ATOM 997 O VAL A 68 4.183 2.683 10.086 1.00 0.00 O ATOM 998 CB VAL A 68 2.974 -0.053 11.609 1.00 0.00 C ATOM 999 CG1 VAL A 68 2.994 1.105 12.609 1.00 0.00 C ATOM 1000 CG2 VAL A 68 1.596 -0.718 11.568 1.00 0.00 C ATOM 0 H VAL A 68 3.979 -1.578 9.957 1.00 0.00 H new ATOM 0 HA VAL A 68 2.513 0.857 9.754 1.00 0.00 H new ATOM 0 HB VAL A 68 3.696 -0.798 11.944 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.689 0.743 13.591 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.002 1.515 12.670 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.305 1.883 12.279 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.319 -1.044 12.571 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.858 -0.004 11.202 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.628 -1.581 10.902 1.00 0.00 H new ATOM 1010 N ASN A 69 5.706 1.057 10.474 1.00 0.00 N ATOM 1011 CA ASN A 69 6.833 1.972 10.536 1.00 0.00 C ATOM 1012 C ASN A 69 6.987 2.676 9.186 1.00 0.00 C ATOM 1013 O ASN A 69 6.848 3.895 9.098 1.00 0.00 O ATOM 1014 CB ASN A 69 8.135 1.225 10.831 1.00 0.00 C ATOM 1015 CG ASN A 69 7.912 0.125 11.871 1.00 0.00 C ATOM 1016 OD1 ASN A 69 7.191 0.290 12.841 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.569 -1.002 11.615 1.00 0.00 N ATOM 0 H ASN A 69 5.946 0.075 10.612 1.00 0.00 H new ATOM 0 HA ASN A 69 6.641 2.689 11.334 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.524 0.788 9.911 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.887 1.926 11.193 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.486 -1.796 12.250 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.156 -1.073 10.784 1.00 0.00 H new ATOM 1024 N ARG A 70 7.272 1.877 8.168 1.00 0.00 N ATOM 1025 CA ARG A 70 7.447 2.408 6.827 1.00 0.00 C ATOM 1026 C ARG A 70 6.317 3.384 6.491 1.00 0.00 C ATOM 1027 O ARG A 70 6.547 4.408 5.849 1.00 0.00 O ATOM 1028 CB ARG A 70 7.467 1.285 5.788 1.00 0.00 C ATOM 1029 CG ARG A 70 8.713 0.411 5.950 1.00 0.00 C ATOM 1030 CD ARG A 70 9.961 1.135 5.442 1.00 0.00 C ATOM 1031 NE ARG A 70 11.164 0.311 5.698 1.00 0.00 N ATOM 1032 CZ ARG A 70 12.390 0.614 5.251 1.00 0.00 C ATOM 1033 NH1 ARG A 70 12.584 1.722 4.524 1.00 0.00 N ATOM 1034 NH2 ARG A 70 13.423 -0.192 5.532 1.00 0.00 N ATOM 0 H ARG A 70 7.386 0.866 8.245 1.00 0.00 H new ATOM 0 HA ARG A 70 8.403 2.930 6.799 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.572 0.672 5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.445 1.712 4.785 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.843 0.148 7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.581 -0.522 5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.867 1.334 4.374 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.059 2.100 5.939 1.00 0.00 H new ATOM 0 HE ARG A 70 11.052 -0.540 6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.798 2.336 4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.518 1.952 4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.276 -1.036 6.086 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.357 0.038 5.192 1.00 0.00 H new ATOM 1048 N ALA A 71 5.121 3.031 6.939 1.00 0.00 N ATOM 1049 CA ALA A 71 3.955 3.863 6.693 1.00 0.00 C ATOM 1050 C ALA A 71 4.146 5.216 7.381 1.00 0.00 C ATOM 1051 O ALA A 71 4.120 6.258 6.727 1.00 0.00 O ATOM 1052 CB ALA A 71 2.699 3.136 7.176 1.00 0.00 C ATOM 0 H ALA A 71 4.934 2.181 7.471 1.00 0.00 H new ATOM 0 HA ALA A 71 3.834 4.050 5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.824 3.760 6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.594 2.195 6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.783 2.935 8.244 1.00 0.00 H new ATOM 1058 N ILE A 72 4.333 5.157 8.691 1.00 0.00 N ATOM 1059 CA ILE A 72 4.528 6.365 9.475 1.00 0.00 C ATOM 1060 C ILE A 72 5.416 7.337 8.694 1.00 0.00 C ATOM 1061 O ILE A 72 5.137 8.534 8.643 1.00 0.00 O ATOM 1062 CB ILE A 72 5.066 6.022 10.865 1.00 0.00 C ATOM 1063 CG1 ILE A 72 3.962 5.444 11.753 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.742 7.235 11.507 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.515 4.356 12.677 1.00 0.00 C ATOM 0 H ILE A 72 4.354 4.291 9.230 1.00 0.00 H new ATOM 0 HA ILE A 72 3.575 6.867 9.643 1.00 0.00 H new ATOM 0 HB ILE A 72 5.828 5.250 10.755 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.516 6.240 12.349 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.169 5.029 11.130 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.115 6.963 12.494 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.573 7.562 10.882 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.020 8.046 11.603 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.710 3.962 13.297 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.939 3.550 12.077 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.290 4.780 13.315 1.00 0.00 H new ATOM 1077 N ASN A 73 6.467 6.785 8.105 1.00 0.00 N ATOM 1078 CA ASN A 73 7.397 7.587 7.330 1.00 0.00 C ATOM 1079 C ASN A 73 6.619 8.413 6.303 1.00 0.00 C ATOM 1080 O ASN A 73 6.787 9.629 6.223 1.00 0.00 O ATOM 1081 CB ASN A 73 8.388 6.702 6.572 1.00 0.00 C ATOM 1082 CG ASN A 73 9.821 6.953 7.045 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.556 7.753 6.488 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.177 6.228 8.102 1.00 0.00 N ATOM 0 H ASN A 73 6.695 5.792 8.149 1.00 0.00 H new ATOM 0 HA ASN A 73 7.943 8.231 8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.131 5.653 6.720 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.314 6.901 5.503 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.114 6.324 8.494 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.513 5.576 8.520 1.00 0.00 H new ATOM 1091 N VAL A 74 5.784 7.719 5.544 1.00 0.00 N ATOM 1092 CA VAL A 74 4.980 8.373 4.526 1.00 0.00 C ATOM 1093 C VAL A 74 3.843 9.145 5.198 1.00 0.00 C ATOM 1094 O VAL A 74 3.662 10.335 4.946 1.00 0.00 O ATOM 1095 CB VAL A 74 4.484 7.343 3.509 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.656 8.011 2.410 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.652 6.554 2.913 1.00 0.00 C ATOM 0 H VAL A 74 5.647 6.711 5.614 1.00 0.00 H new ATOM 0 HA VAL A 74 5.580 9.095 3.971 1.00 0.00 H new ATOM 0 HB VAL A 74 3.838 6.639 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.316 7.256 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.793 8.506 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.268 8.748 1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.272 5.829 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.335 7.239 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.182 6.031 3.709 1.00 0.00 H new ATOM 1107 N LEU A 75 3.106 8.435 6.040 1.00 0.00 N ATOM 1108 CA LEU A 75 1.991 9.039 6.751 1.00 0.00 C ATOM 1109 C LEU A 75 2.402 10.425 7.252 1.00 0.00 C ATOM 1110 O LEU A 75 1.739 11.418 6.957 1.00 0.00 O ATOM 1111 CB LEU A 75 1.494 8.107 7.857 1.00 0.00 C ATOM 1112 CG LEU A 75 0.310 7.208 7.495 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.206 6.024 8.458 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -0.990 8.012 7.433 1.00 0.00 C ATOM 0 H LEU A 75 3.259 7.448 6.246 1.00 0.00 H new ATOM 0 HA LEU A 75 1.143 9.181 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.323 7.473 8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.214 8.714 8.718 1.00 0.00 H new ATOM 0 HG LEU A 75 0.484 6.799 6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.644 5.401 8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.121 5.433 8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.067 6.393 9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.816 7.349 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.182 8.468 8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.900 8.792 6.677 1.00 0.00 H new ATOM 1126 N LEU A 76 3.495 10.448 8.002 1.00 0.00 N ATOM 1127 CA LEU A 76 4.002 11.695 8.548 1.00 0.00 C ATOM 1128 C LEU A 76 4.012 12.760 7.449 1.00 0.00 C ATOM 1129 O LEU A 76 3.300 13.759 7.542 1.00 0.00 O ATOM 1130 CB LEU A 76 5.366 11.477 9.205 1.00 0.00 C ATOM 1131 CG LEU A 76 5.345 10.855 10.603 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.753 10.451 11.044 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.676 11.792 11.610 1.00 0.00 C ATOM 0 H LEU A 76 4.043 9.622 8.244 1.00 0.00 H new ATOM 0 HA LEU A 76 3.347 12.059 9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.963 10.839 8.554 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.877 12.438 9.264 1.00 0.00 H new ATOM 0 HG LEU A 76 4.746 9.945 10.563 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.710 10.012 12.041 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.159 9.721 10.343 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.395 11.332 11.063 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.674 11.326 12.595 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.227 12.732 11.654 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.650 11.987 11.299 1.00 0.00 H new