USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 38 MET CE :methyl -175:sc= 0 (180deg=-0.0346) USER MOD Single : A 40 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.8!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0057 X(o=-0.0057,f=-0.21) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -176:sc= -0.838 (180deg=-0.943) USER MOD Single : A 66 THR OG1 : rot -94:sc= -0.697 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 72 TYR OH : rot -115:sc= 0.0123 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 76 MET CE :methyl -112:sc= -4.68! (180deg=-5.73!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -159:sc= -1.39! (180deg=-1.48!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 16.221 0.943 7.207 1.00 0.00 N ATOM 525 CA GLU A 37 15.515 1.936 8.007 1.00 0.00 C ATOM 526 C GLU A 37 14.333 2.517 7.235 1.00 0.00 C ATOM 527 O GLU A 37 13.232 2.647 7.770 1.00 0.00 O ATOM 528 CB GLU A 37 16.467 3.059 8.424 1.00 0.00 C ATOM 529 CG GLU A 37 17.381 2.684 9.579 1.00 0.00 C ATOM 530 CD GLU A 37 17.976 3.896 10.269 1.00 0.00 C ATOM 531 OE1 GLU A 37 18.969 4.446 9.748 1.00 0.00 O ATOM 532 OE2 GLU A 37 17.450 4.295 11.329 1.00 0.00 O ATOM 0 HA GLU A 37 15.135 1.441 8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.077 3.344 7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.882 3.935 8.704 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.820 2.096 10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.186 2.049 9.209 1.00 0.00 H new ATOM 539 N MET A 38 14.571 2.866 5.975 1.00 0.00 N ATOM 540 CA MET A 38 13.527 3.433 5.129 1.00 0.00 C ATOM 541 C MET A 38 12.410 2.421 4.893 1.00 0.00 C ATOM 542 O MET A 38 11.234 2.781 4.849 1.00 0.00 O ATOM 543 CB MET A 38 14.115 3.883 3.791 1.00 0.00 C ATOM 544 CG MET A 38 14.835 2.775 3.039 1.00 0.00 C ATOM 545 SD MET A 38 15.970 3.408 1.789 1.00 0.00 S ATOM 546 CE MET A 38 14.828 4.233 0.682 1.00 0.00 C ATOM 0 H MET A 38 15.477 2.766 5.517 1.00 0.00 H new ATOM 0 HA MET A 38 13.107 4.298 5.642 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.313 4.274 3.165 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.811 4.703 3.967 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.388 2.160 3.749 1.00 0.00 H new ATOM 0 HG3 MET A 38 14.099 2.128 2.562 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.368 4.600 -0.191 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.058 3.530 0.363 1.00 0.00 H new ATOM 0 HE3 MET A 38 14.362 5.072 1.199 1.00 0.00 H new ATOM 556 N ARG A 39 12.786 1.156 4.742 1.00 0.00 N ATOM 557 CA ARG A 39 11.816 0.093 4.509 1.00 0.00 C ATOM 558 C ARG A 39 10.961 -0.145 5.750 1.00 0.00 C ATOM 559 O ARG A 39 9.754 -0.361 5.652 1.00 0.00 O ATOM 560 CB ARG A 39 12.529 -1.201 4.112 1.00 0.00 C ATOM 561 CG ARG A 39 12.940 -2.058 5.299 1.00 0.00 C ATOM 562 CD ARG A 39 13.783 -3.246 4.863 1.00 0.00 C ATOM 563 NE ARG A 39 12.962 -4.402 4.515 1.00 0.00 N ATOM 564 CZ ARG A 39 12.419 -4.585 3.317 1.00 0.00 C ATOM 565 NH1 ARG A 39 12.609 -3.691 2.356 1.00 0.00 N ATOM 566 NH2 ARG A 39 11.683 -5.663 3.078 1.00 0.00 N ATOM 0 H ARG A 39 13.756 0.842 4.777 1.00 0.00 H new ATOM 0 HA ARG A 39 11.163 0.405 3.693 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.874 -1.783 3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 39 13.416 -0.953 3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.503 -1.452 6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.050 -2.413 5.818 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.392 -2.963 4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.469 -3.517 5.665 1.00 0.00 H new ATOM 0 HE ARG A 39 12.796 -5.108 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.173 -2.861 2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.191 -3.834 1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.534 -6.352 3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.266 -5.802 2.157 1.00 0.00 H new ATOM 580 N ASN A 40 11.597 -0.103 6.917 1.00 0.00 N ATOM 581 CA ASN A 40 10.895 -0.315 8.177 1.00 0.00 C ATOM 582 C ASN A 40 9.789 0.719 8.365 1.00 0.00 C ATOM 583 O ASN A 40 8.654 0.376 8.695 1.00 0.00 O ATOM 584 CB ASN A 40 11.876 -0.247 9.349 1.00 0.00 C ATOM 585 CG ASN A 40 12.505 -1.593 9.656 1.00 0.00 C ATOM 586 OD1 ASN A 40 12.234 -2.585 8.980 1.00 0.00 O ATOM 587 ND2 ASN A 40 13.349 -1.631 10.680 1.00 0.00 N ATOM 0 H ASN A 40 12.596 0.076 7.016 1.00 0.00 H new ATOM 0 HA ASN A 40 10.441 -1.305 8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.661 0.474 9.121 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.355 0.118 10.234 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.803 -2.508 10.934 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.544 -0.783 11.212 1.00 0.00 H new ATOM 594 N SER A 41 10.129 1.986 8.152 1.00 0.00 N ATOM 595 CA SER A 41 9.166 3.071 8.300 1.00 0.00 C ATOM 596 C SER A 41 8.032 2.933 7.289 1.00 0.00 C ATOM 597 O SER A 41 6.872 2.756 7.661 1.00 0.00 O ATOM 598 CB SER A 41 9.859 4.424 8.125 1.00 0.00 C ATOM 599 OG SER A 41 10.518 4.817 9.317 1.00 0.00 O ATOM 0 H SER A 41 11.064 2.287 7.876 1.00 0.00 H new ATOM 0 HA SER A 41 8.744 3.014 9.303 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.580 4.364 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.124 5.179 7.846 1.00 0.00 H new ATOM 0 HG SER A 41 10.954 5.684 9.179 1.00 0.00 H new ATOM 605 N ILE A 42 8.377 3.016 6.008 1.00 0.00 N ATOM 606 CA ILE A 42 7.389 2.900 4.943 1.00 0.00 C ATOM 607 C ILE A 42 6.419 1.755 5.215 1.00 0.00 C ATOM 608 O ILE A 42 5.221 1.867 4.954 1.00 0.00 O ATOM 609 CB ILE A 42 8.060 2.675 3.575 1.00 0.00 C ATOM 610 CG1 ILE A 42 8.965 3.858 3.226 1.00 0.00 C ATOM 611 CG2 ILE A 42 7.008 2.470 2.496 1.00 0.00 C ATOM 612 CD1 ILE A 42 10.135 3.485 2.342 1.00 0.00 C ATOM 0 H ILE A 42 9.333 3.163 5.683 1.00 0.00 H new ATOM 0 HA ILE A 42 6.839 3.841 4.919 1.00 0.00 H new ATOM 0 HB ILE A 42 8.674 1.776 3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.372 4.623 2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.343 4.300 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.498 2.312 1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.401 1.599 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.370 3.352 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.733 4.373 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.751 2.742 2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.765 3.071 1.404 1.00 0.00 H new ATOM 624 N LEU A 43 6.945 0.654 5.741 1.00 0.00 N ATOM 625 CA LEU A 43 6.125 -0.512 6.051 1.00 0.00 C ATOM 626 C LEU A 43 5.130 -0.198 7.163 1.00 0.00 C ATOM 627 O LEU A 43 3.954 -0.549 7.075 1.00 0.00 O ATOM 628 CB LEU A 43 7.013 -1.688 6.463 1.00 0.00 C ATOM 629 CG LEU A 43 7.520 -2.576 5.326 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.569 -3.551 5.838 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.365 -3.324 4.677 1.00 0.00 C ATOM 0 H LEU A 43 7.935 0.544 5.962 1.00 0.00 H new ATOM 0 HA LEU A 43 5.566 -0.782 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.875 -1.295 7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.456 -2.311 7.163 1.00 0.00 H new ATOM 0 HG LEU A 43 7.983 -1.939 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.918 -4.175 5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.409 -2.996 6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.132 -4.182 6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.745 -3.951 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.873 -3.950 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.649 -2.608 4.274 1.00 0.00 H new ATOM 643 N ALA A 44 5.609 0.468 8.209 1.00 0.00 N ATOM 644 CA ALA A 44 4.760 0.833 9.336 1.00 0.00 C ATOM 645 C ALA A 44 3.776 1.932 8.949 1.00 0.00 C ATOM 646 O ALA A 44 2.694 2.039 9.525 1.00 0.00 O ATOM 647 CB ALA A 44 5.612 1.277 10.516 1.00 0.00 C ATOM 0 H ALA A 44 6.580 0.766 8.299 1.00 0.00 H new ATOM 0 HA ALA A 44 4.186 -0.047 9.626 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.965 1.547 11.351 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.271 0.462 10.816 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.211 2.141 10.228 1.00 0.00 H new ATOM 653 N GLN A 45 4.160 2.747 7.971 1.00 0.00 N ATOM 654 CA GLN A 45 3.311 3.838 7.509 1.00 0.00 C ATOM 655 C GLN A 45 2.198 3.317 6.605 1.00 0.00 C ATOM 656 O GLN A 45 1.145 3.942 6.477 1.00 0.00 O ATOM 657 CB GLN A 45 4.146 4.880 6.762 1.00 0.00 C ATOM 658 CG GLN A 45 5.218 5.530 7.621 1.00 0.00 C ATOM 659 CD GLN A 45 5.601 6.912 7.129 1.00 0.00 C ATOM 660 OE1 GLN A 45 5.103 7.922 7.628 1.00 0.00 O ATOM 661 NE2 GLN A 45 6.490 6.964 6.144 1.00 0.00 N ATOM 0 H GLN A 45 5.053 2.672 7.484 1.00 0.00 H new ATOM 0 HA GLN A 45 2.855 4.305 8.382 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.619 4.406 5.902 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.484 5.654 6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.862 5.600 8.649 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.103 4.894 7.633 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.877 6.102 5.760 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.786 7.866 5.771 1.00 0.00 H new ATOM 670 N VAL A 46 2.439 2.169 5.981 1.00 0.00 N ATOM 671 CA VAL A 46 1.457 1.563 5.089 1.00 0.00 C ATOM 672 C VAL A 46 0.642 0.497 5.813 1.00 0.00 C ATOM 673 O VAL A 46 -0.414 0.078 5.337 1.00 0.00 O ATOM 674 CB VAL A 46 2.132 0.930 3.858 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.955 1.967 3.108 1.00 0.00 C ATOM 676 CG2 VAL A 46 2.996 -0.251 4.273 1.00 0.00 C ATOM 0 H VAL A 46 3.306 1.640 6.076 1.00 0.00 H new ATOM 0 HA VAL A 46 0.793 2.362 4.759 1.00 0.00 H new ATOM 0 HB VAL A 46 1.355 0.564 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.424 1.502 2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.305 2.777 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.726 2.366 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.465 -0.686 3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.767 0.088 4.965 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.375 -1.002 4.762 1.00 0.00 H new ATOM 686 N LEU A 47 1.138 0.062 6.966 1.00 0.00 N ATOM 687 CA LEU A 47 0.455 -0.956 7.757 1.00 0.00 C ATOM 688 C LEU A 47 -0.011 -0.385 9.093 1.00 0.00 C ATOM 689 O LEU A 47 0.534 0.606 9.580 1.00 0.00 O ATOM 690 CB LEU A 47 1.380 -2.150 7.994 1.00 0.00 C ATOM 691 CG LEU A 47 1.597 -3.080 6.800 1.00 0.00 C ATOM 692 CD1 LEU A 47 2.916 -3.825 6.934 1.00 0.00 C ATOM 693 CD2 LEU A 47 0.439 -4.059 6.670 1.00 0.00 C ATOM 0 H LEU A 47 2.010 0.398 7.374 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.421 -1.288 7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.351 -1.773 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.977 -2.738 8.818 1.00 0.00 H new ATOM 0 HG LEU A 47 1.638 -2.474 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.052 -4.482 6.075 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.736 -3.108 6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.907 -4.420 7.847 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.610 -4.713 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.366 -4.659 7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.490 -3.507 6.524 1.00 0.00 H new ATOM 705 N ASP A 48 -1.019 -1.019 9.681 1.00 0.00 N ATOM 706 CA ASP A 48 -1.557 -0.577 10.963 1.00 0.00 C ATOM 707 C ASP A 48 -1.254 -1.594 12.058 1.00 0.00 C ATOM 708 O ASP A 48 -0.935 -2.748 11.775 1.00 0.00 O ATOM 709 CB ASP A 48 -3.066 -0.355 10.858 1.00 0.00 C ATOM 710 CG ASP A 48 -3.574 0.658 11.865 1.00 0.00 C ATOM 711 OD1 ASP A 48 -2.896 1.688 12.065 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.650 0.421 12.453 1.00 0.00 O ATOM 0 H ASP A 48 -1.480 -1.841 9.291 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.077 0.366 11.225 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.311 -0.017 9.851 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.581 -1.303 11.010 1.00 0.00 H new ATOM 717 N GLN A 49 -1.356 -1.157 13.309 1.00 0.00 N ATOM 718 CA GLN A 49 -1.091 -2.029 14.447 1.00 0.00 C ATOM 719 C GLN A 49 -1.698 -3.411 14.226 1.00 0.00 C ATOM 720 O GLN A 49 -1.127 -4.422 14.633 1.00 0.00 O ATOM 721 CB GLN A 49 -1.651 -1.413 15.731 1.00 0.00 C ATOM 722 CG GLN A 49 -1.037 -1.985 16.998 1.00 0.00 C ATOM 723 CD GLN A 49 -1.741 -1.509 18.254 1.00 0.00 C ATOM 724 OE1 GLN A 49 -2.970 -1.507 18.326 1.00 0.00 O ATOM 725 NE2 GLN A 49 -0.964 -1.104 19.251 1.00 0.00 N ATOM 0 H GLN A 49 -1.620 -0.204 13.560 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.011 -2.137 14.546 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.484 -0.336 15.710 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.730 -1.568 15.758 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.074 -3.074 16.956 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.015 -1.703 17.047 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.051 -1.123 19.147 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.381 -0.774 20.121 1.00 0.00 H new ATOM 734 N SER A 50 -2.859 -3.445 13.580 1.00 0.00 N ATOM 735 CA SER A 50 -3.546 -4.703 13.309 1.00 0.00 C ATOM 736 C SER A 50 -2.696 -5.604 12.417 1.00 0.00 C ATOM 737 O SER A 50 -2.167 -6.620 12.867 1.00 0.00 O ATOM 738 CB SER A 50 -4.898 -4.437 12.644 1.00 0.00 C ATOM 739 OG SER A 50 -5.813 -3.865 13.562 1.00 0.00 O ATOM 0 H SER A 50 -3.344 -2.617 13.235 1.00 0.00 H new ATOM 0 HA SER A 50 -3.710 -5.211 14.259 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.764 -3.767 11.794 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.305 -5.370 12.253 1.00 0.00 H new ATOM 0 HG SER A 50 -6.669 -3.703 13.113 1.00 0.00 H new ATOM 745 N ALA A 51 -2.572 -5.224 11.150 1.00 0.00 N ATOM 746 CA ALA A 51 -1.786 -5.995 10.195 1.00 0.00 C ATOM 747 C ALA A 51 -0.411 -6.334 10.761 1.00 0.00 C ATOM 748 O ALA A 51 0.025 -7.484 10.711 1.00 0.00 O ATOM 749 CB ALA A 51 -1.647 -5.231 8.887 1.00 0.00 C ATOM 0 H ALA A 51 -3.006 -4.387 10.761 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.311 -6.931 10.002 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.058 -5.819 8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.636 -5.046 8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.148 -4.280 9.072 1.00 0.00 H new ATOM 755 N ARG A 52 0.266 -5.325 11.299 1.00 0.00 N ATOM 756 CA ARG A 52 1.593 -5.516 11.873 1.00 0.00 C ATOM 757 C ARG A 52 1.683 -6.854 12.602 1.00 0.00 C ATOM 758 O ARG A 52 2.602 -7.638 12.369 1.00 0.00 O ATOM 759 CB ARG A 52 1.924 -4.376 12.838 1.00 0.00 C ATOM 760 CG ARG A 52 2.090 -3.029 12.153 1.00 0.00 C ATOM 761 CD ARG A 52 3.421 -2.934 11.424 1.00 0.00 C ATOM 762 NE ARG A 52 4.552 -3.178 12.316 1.00 0.00 N ATOM 763 CZ ARG A 52 5.815 -3.211 11.908 1.00 0.00 C ATOM 764 NH1 ARG A 52 6.108 -3.018 10.629 1.00 0.00 N ATOM 765 NH2 ARG A 52 6.789 -3.439 12.780 1.00 0.00 N ATOM 0 H ARG A 52 -0.082 -4.368 11.350 1.00 0.00 H new ATOM 0 HA ARG A 52 2.317 -5.515 11.058 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.132 -4.300 13.583 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.843 -4.618 13.372 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.275 -2.877 11.445 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.022 -2.232 12.894 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.440 -3.657 10.608 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.519 -1.945 10.976 1.00 0.00 H new ATOM 0 HE ARG A 52 4.361 -3.331 13.306 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.362 -2.844 9.956 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.079 -3.044 10.319 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.568 -3.589 13.764 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.759 -3.464 12.466 1.00 0.00 H new ATOM 779 N ALA A 53 0.722 -7.107 13.484 1.00 0.00 N ATOM 780 CA ALA A 53 0.691 -8.350 14.245 1.00 0.00 C ATOM 781 C ALA A 53 0.698 -9.561 13.318 1.00 0.00 C ATOM 782 O ALA A 53 1.637 -10.358 13.329 1.00 0.00 O ATOM 783 CB ALA A 53 -0.530 -8.384 15.152 1.00 0.00 C ATOM 0 H ALA A 53 -0.046 -6.468 13.689 1.00 0.00 H new ATOM 0 HA ALA A 53 1.589 -8.392 14.862 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.540 -9.318 15.714 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.492 -7.544 15.845 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.434 -8.315 14.547 1.00 0.00 H new ATOM 789 N ARG A 54 -0.355 -9.695 12.519 1.00 0.00 N ATOM 790 CA ARG A 54 -0.470 -10.810 11.587 1.00 0.00 C ATOM 791 C ARG A 54 0.832 -11.014 10.818 1.00 0.00 C ATOM 792 O ARG A 54 1.343 -12.131 10.727 1.00 0.00 O ATOM 793 CB ARG A 54 -1.621 -10.568 10.608 1.00 0.00 C ATOM 794 CG ARG A 54 -1.871 -11.731 9.662 1.00 0.00 C ATOM 795 CD ARG A 54 -2.722 -12.808 10.316 1.00 0.00 C ATOM 796 NE ARG A 54 -2.992 -13.919 9.408 1.00 0.00 N ATOM 797 CZ ARG A 54 -3.653 -15.015 9.763 1.00 0.00 C ATOM 798 NH1 ARG A 54 -4.109 -15.146 11.001 1.00 0.00 N ATOM 799 NH2 ARG A 54 -3.859 -15.983 8.879 1.00 0.00 N ATOM 0 H ARG A 54 -1.141 -9.045 12.498 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.676 -11.712 12.163 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.531 -10.368 11.173 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.407 -9.674 10.022 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.369 -11.369 8.762 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.918 -12.158 9.349 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.214 -13.182 11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.665 -12.373 10.647 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.654 -13.850 8.448 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.953 -14.404 11.683 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.616 -15.989 11.271 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.510 -15.886 7.926 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.367 -16.824 9.153 1.00 0.00 H new ATOM 813 N LEU A 55 1.363 -9.928 10.267 1.00 0.00 N ATOM 814 CA LEU A 55 2.606 -9.987 9.505 1.00 0.00 C ATOM 815 C LEU A 55 3.717 -10.635 10.325 1.00 0.00 C ATOM 816 O LEU A 55 4.250 -11.680 9.951 1.00 0.00 O ATOM 817 CB LEU A 55 3.029 -8.582 9.072 1.00 0.00 C ATOM 818 CG LEU A 55 4.304 -8.494 8.233 1.00 0.00 C ATOM 819 CD1 LEU A 55 4.036 -8.947 6.806 1.00 0.00 C ATOM 820 CD2 LEU A 55 4.856 -7.076 8.250 1.00 0.00 C ATOM 0 H LEU A 55 0.953 -8.997 10.333 1.00 0.00 H new ATOM 0 HA LEU A 55 2.431 -10.597 8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.212 -8.137 8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.163 -7.973 9.966 1.00 0.00 H new ATOM 0 HG LEU A 55 5.050 -9.158 8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.955 -8.878 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.687 -9.980 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.274 -8.309 6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.763 -7.032 7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.114 -6.392 7.839 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.087 -6.788 9.276 1.00 0.00 H new ATOM 832 N SER A 56 4.060 -10.009 11.446 1.00 0.00 N ATOM 833 CA SER A 56 5.109 -10.523 12.319 1.00 0.00 C ATOM 834 C SER A 56 4.941 -12.023 12.545 1.00 0.00 C ATOM 835 O SER A 56 5.897 -12.789 12.436 1.00 0.00 O ATOM 836 CB SER A 56 5.092 -9.788 13.661 1.00 0.00 C ATOM 837 OG SER A 56 6.360 -9.845 14.290 1.00 0.00 O ATOM 0 H SER A 56 3.627 -9.145 11.771 1.00 0.00 H new ATOM 0 HA SER A 56 6.069 -10.352 11.832 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.806 -8.748 13.506 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.339 -10.232 14.313 1.00 0.00 H new ATOM 0 HG SER A 56 6.323 -9.367 15.145 1.00 0.00 H new ATOM 843 N ASN A 57 3.717 -12.433 12.861 1.00 0.00 N ATOM 844 CA ASN A 57 3.421 -13.841 13.104 1.00 0.00 C ATOM 845 C ASN A 57 3.935 -14.709 11.959 1.00 0.00 C ATOM 846 O ASN A 57 4.567 -15.742 12.185 1.00 0.00 O ATOM 847 CB ASN A 57 1.915 -14.044 13.277 1.00 0.00 C ATOM 848 CG ASN A 57 1.519 -15.507 13.216 1.00 0.00 C ATOM 849 OD1 ASN A 57 2.186 -16.367 13.790 1.00 0.00 O ATOM 850 ND2 ASN A 57 0.427 -15.795 12.517 1.00 0.00 N ATOM 0 H ASN A 57 2.914 -11.811 12.955 1.00 0.00 H new ATOM 0 HA ASN A 57 3.929 -14.141 14.021 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.602 -13.625 14.233 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.385 -13.494 12.499 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.111 -16.762 12.440 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.096 -15.049 12.057 1.00 0.00 H new ATOM 857 N LEU A 58 3.660 -14.283 10.731 1.00 0.00 N ATOM 858 CA LEU A 58 4.094 -15.022 9.550 1.00 0.00 C ATOM 859 C LEU A 58 5.616 -15.102 9.488 1.00 0.00 C ATOM 860 O LEU A 58 6.176 -16.066 8.966 1.00 0.00 O ATOM 861 CB LEU A 58 3.555 -14.357 8.283 1.00 0.00 C ATOM 862 CG LEU A 58 3.586 -15.209 7.013 1.00 0.00 C ATOM 863 CD1 LEU A 58 2.693 -16.430 7.169 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.160 -14.385 5.807 1.00 0.00 C ATOM 0 H LEU A 58 3.139 -13.430 10.527 1.00 0.00 H new ATOM 0 HA LEU A 58 3.698 -16.035 9.618 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.525 -14.052 8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.129 -13.448 8.101 1.00 0.00 H new ATOM 0 HG LEU A 58 4.609 -15.550 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.727 -17.025 6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.043 -17.032 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.668 -16.110 7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.188 -15.008 4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.146 -14.014 5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.840 -13.542 5.684 1.00 0.00 H new ATOM 876 N ALA A 59 6.280 -14.085 10.027 1.00 0.00 N ATOM 877 CA ALA A 59 7.737 -14.043 10.037 1.00 0.00 C ATOM 878 C ALA A 59 8.314 -15.179 10.874 1.00 0.00 C ATOM 879 O ALA A 59 9.522 -15.419 10.866 1.00 0.00 O ATOM 880 CB ALA A 59 8.223 -12.700 10.560 1.00 0.00 C ATOM 0 H ALA A 59 5.832 -13.279 10.463 1.00 0.00 H new ATOM 0 HA ALA A 59 8.086 -14.169 9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.313 -12.683 10.562 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.849 -11.903 9.918 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.856 -12.551 11.575 1.00 0.00 H new ATOM 886 N LEU A 60 7.443 -15.875 11.597 1.00 0.00 N ATOM 887 CA LEU A 60 7.866 -16.987 12.442 1.00 0.00 C ATOM 888 C LEU A 60 7.653 -18.321 11.733 1.00 0.00 C ATOM 889 O LEU A 60 8.611 -18.993 11.350 1.00 0.00 O ATOM 890 CB LEU A 60 7.097 -16.970 13.764 1.00 0.00 C ATOM 891 CG LEU A 60 7.241 -15.703 14.608 1.00 0.00 C ATOM 892 CD1 LEU A 60 5.998 -15.483 15.456 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.481 -15.785 15.485 1.00 0.00 C ATOM 0 H LEU A 60 6.440 -15.689 11.615 1.00 0.00 H new ATOM 0 HA LEU A 60 8.930 -16.871 12.647 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.039 -17.120 13.548 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.424 -17.820 14.362 1.00 0.00 H new ATOM 0 HG LEU A 60 7.352 -14.852 13.936 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.118 -14.577 16.050 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.129 -15.379 14.807 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.855 -16.336 16.120 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.568 -14.875 16.079 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.401 -16.645 16.149 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.365 -15.894 14.856 1.00 0.00 H new ATOM 905 N VAL A 61 6.390 -18.698 11.560 1.00 0.00 N ATOM 906 CA VAL A 61 6.050 -19.950 10.894 1.00 0.00 C ATOM 907 C VAL A 61 6.802 -20.093 9.576 1.00 0.00 C ATOM 908 O VAL A 61 7.220 -21.189 9.203 1.00 0.00 O ATOM 909 CB VAL A 61 4.537 -20.048 10.623 1.00 0.00 C ATOM 910 CG1 VAL A 61 4.027 -18.772 9.971 1.00 0.00 C ATOM 911 CG2 VAL A 61 4.230 -21.259 9.754 1.00 0.00 C ATOM 0 H VAL A 61 5.585 -18.154 11.872 1.00 0.00 H new ATOM 0 HA VAL A 61 6.344 -20.756 11.566 1.00 0.00 H new ATOM 0 HB VAL A 61 4.022 -20.172 11.576 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.956 -18.860 9.787 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.213 -17.926 10.632 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.546 -18.614 9.025 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.157 -21.314 9.572 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.755 -21.167 8.803 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.558 -22.165 10.264 1.00 0.00 H new ATOM 921 N LYS A 62 6.972 -18.978 8.874 1.00 0.00 N ATOM 922 CA LYS A 62 7.676 -18.977 7.597 1.00 0.00 C ATOM 923 C LYS A 62 7.961 -17.552 7.134 1.00 0.00 C ATOM 924 O LYS A 62 7.073 -16.835 6.671 1.00 0.00 O ATOM 925 CB LYS A 62 6.854 -19.714 6.537 1.00 0.00 C ATOM 926 CG LYS A 62 5.400 -19.280 6.485 1.00 0.00 C ATOM 927 CD LYS A 62 4.742 -19.687 5.177 1.00 0.00 C ATOM 928 CE LYS A 62 3.231 -19.785 5.319 1.00 0.00 C ATOM 929 NZ LYS A 62 2.598 -20.381 4.110 1.00 0.00 N ATOM 0 H LYS A 62 6.632 -18.063 9.168 1.00 0.00 H new ATOM 0 HA LYS A 62 8.626 -19.493 7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.308 -19.552 5.559 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.898 -20.785 6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.857 -19.723 7.320 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.338 -18.198 6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.989 -18.961 4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.141 -20.648 4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.987 -20.390 6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.817 -18.792 5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.568 -20.431 4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.810 -19.790 3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.974 -21.339 3.958 1.00 0.00 H new ATOM 943 N PRO A 63 9.228 -17.130 7.259 1.00 0.00 N ATOM 944 CA PRO A 63 9.659 -15.788 6.856 1.00 0.00 C ATOM 945 C PRO A 63 9.644 -15.604 5.343 1.00 0.00 C ATOM 946 O PRO A 63 9.289 -14.537 4.842 1.00 0.00 O ATOM 947 CB PRO A 63 11.090 -15.700 7.392 1.00 0.00 C ATOM 948 CG PRO A 63 11.554 -17.113 7.467 1.00 0.00 C ATOM 949 CD PRO A 63 10.338 -17.931 7.802 1.00 0.00 C ATOM 0 HA PRO A 63 8.996 -15.014 7.242 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.725 -15.110 6.731 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.117 -15.222 8.371 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.990 -17.431 6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.325 -17.231 8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.381 -18.920 7.346 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.238 -18.080 8.877 1.00 0.00 H new ATOM 957 N GLU A 64 10.031 -16.650 4.620 1.00 0.00 N ATOM 958 CA GLU A 64 10.061 -16.602 3.163 1.00 0.00 C ATOM 959 C GLU A 64 8.877 -15.807 2.620 1.00 0.00 C ATOM 960 O GLU A 64 9.043 -14.712 2.084 1.00 0.00 O ATOM 961 CB GLU A 64 10.049 -18.018 2.583 1.00 0.00 C ATOM 962 CG GLU A 64 10.534 -18.091 1.145 1.00 0.00 C ATOM 963 CD GLU A 64 10.885 -19.504 0.719 1.00 0.00 C ATOM 964 OE1 GLU A 64 10.224 -20.449 1.197 1.00 0.00 O ATOM 965 OE2 GLU A 64 11.821 -19.663 -0.092 1.00 0.00 O ATOM 0 H GLU A 64 10.328 -17.540 5.019 1.00 0.00 H new ATOM 0 HA GLU A 64 10.981 -16.102 2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.676 -18.660 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.035 -18.415 2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.761 -17.698 0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.409 -17.452 1.028 1.00 0.00 H new ATOM 972 N LYS A 65 7.681 -16.368 2.762 1.00 0.00 N ATOM 973 CA LYS A 65 6.467 -15.714 2.287 1.00 0.00 C ATOM 974 C LYS A 65 6.385 -14.281 2.802 1.00 0.00 C ATOM 975 O LYS A 65 6.113 -13.351 2.041 1.00 0.00 O ATOM 976 CB LYS A 65 5.232 -16.499 2.734 1.00 0.00 C ATOM 977 CG LYS A 65 4.057 -16.380 1.779 1.00 0.00 C ATOM 978 CD LYS A 65 3.246 -15.124 2.046 1.00 0.00 C ATOM 979 CE LYS A 65 1.792 -15.301 1.637 1.00 0.00 C ATOM 980 NZ LYS A 65 0.970 -15.870 2.741 1.00 0.00 N ATOM 0 H LYS A 65 7.526 -17.275 3.203 1.00 0.00 H new ATOM 0 HA LYS A 65 6.500 -15.689 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.499 -17.551 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.926 -16.148 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.422 -16.367 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.416 -17.256 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.299 -14.874 3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.679 -14.287 1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.380 -14.338 1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.737 -15.957 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.002 -16.038 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.387 -16.769 3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.946 -15.201 3.537 1.00 0.00 H new ATOM 994 N THR A 66 6.624 -14.107 4.098 1.00 0.00 N ATOM 995 CA THR A 66 6.577 -12.787 4.714 1.00 0.00 C ATOM 996 C THR A 66 7.405 -11.781 3.922 1.00 0.00 C ATOM 997 O THR A 66 6.939 -10.685 3.611 1.00 0.00 O ATOM 998 CB THR A 66 7.089 -12.826 6.166 1.00 0.00 C ATOM 999 OG1 THR A 66 6.749 -14.079 6.772 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.494 -11.686 6.980 1.00 0.00 C ATOM 0 H THR A 66 6.852 -14.865 4.742 1.00 0.00 H new ATOM 0 HA THR A 66 5.533 -12.475 4.713 1.00 0.00 H new ATOM 0 HB THR A 66 8.173 -12.713 6.149 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.902 -13.989 7.257 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.870 -11.734 8.002 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.778 -10.733 6.533 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.408 -11.773 6.989 1.00 0.00 H new ATOM 1008 N LYS A 67 8.637 -12.161 3.598 1.00 0.00 N ATOM 1009 CA LYS A 67 9.531 -11.294 2.840 1.00 0.00 C ATOM 1010 C LYS A 67 8.838 -10.757 1.591 1.00 0.00 C ATOM 1011 O LYS A 67 8.685 -9.547 1.427 1.00 0.00 O ATOM 1012 CB LYS A 67 10.799 -12.054 2.446 1.00 0.00 C ATOM 1013 CG LYS A 67 11.796 -12.203 3.582 1.00 0.00 C ATOM 1014 CD LYS A 67 12.921 -13.156 3.214 1.00 0.00 C ATOM 1015 CE LYS A 67 13.988 -13.204 4.298 1.00 0.00 C ATOM 1016 NZ LYS A 67 15.047 -12.179 4.079 1.00 0.00 N ATOM 0 H LYS A 67 9.039 -13.064 3.849 1.00 0.00 H new ATOM 0 HA LYS A 67 9.803 -10.450 3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.522 -13.044 2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.280 -11.536 1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.212 -11.227 3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.284 -12.569 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.516 -14.155 3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.371 -12.843 2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.524 -13.045 5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.441 -14.195 4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.755 -12.244 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.507 -12.346 3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.619 -11.231 4.085 1.00 0.00 H new ATOM 1030 N ALA A 68 8.422 -11.664 0.715 1.00 0.00 N ATOM 1031 CA ALA A 68 7.743 -11.281 -0.517 1.00 0.00 C ATOM 1032 C ALA A 68 6.672 -10.229 -0.249 1.00 0.00 C ATOM 1033 O ALA A 68 6.668 -9.163 -0.865 1.00 0.00 O ATOM 1034 CB ALA A 68 7.129 -12.504 -1.183 1.00 0.00 C ATOM 0 H ALA A 68 8.543 -12.670 0.835 1.00 0.00 H new ATOM 0 HA ALA A 68 8.482 -10.846 -1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.625 -12.204 -2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.914 -13.223 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.407 -12.963 -0.507 1.00 0.00 H new ATOM 1040 N VAL A 69 5.765 -10.535 0.673 1.00 0.00 N ATOM 1041 CA VAL A 69 4.689 -9.615 1.022 1.00 0.00 C ATOM 1042 C VAL A 69 5.240 -8.246 1.407 1.00 0.00 C ATOM 1043 O VAL A 69 4.945 -7.243 0.758 1.00 0.00 O ATOM 1044 CB VAL A 69 3.840 -10.160 2.185 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.716 -9.193 2.525 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.286 -11.535 1.842 1.00 0.00 C ATOM 0 H VAL A 69 5.754 -11.413 1.192 1.00 0.00 H new ATOM 0 HA VAL A 69 4.059 -9.515 0.138 1.00 0.00 H new ATOM 0 HB VAL A 69 4.479 -10.260 3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.127 -9.595 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.139 -8.232 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.076 -9.058 1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.689 -11.905 2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.662 -11.464 0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.110 -12.223 1.653 1.00 0.00 H new ATOM 1056 N GLU A 70 6.042 -8.214 2.467 1.00 0.00 N ATOM 1057 CA GLU A 70 6.634 -6.968 2.938 1.00 0.00 C ATOM 1058 C GLU A 70 7.085 -6.101 1.765 1.00 0.00 C ATOM 1059 O GLU A 70 6.916 -4.883 1.780 1.00 0.00 O ATOM 1060 CB GLU A 70 7.822 -7.257 3.858 1.00 0.00 C ATOM 1061 CG GLU A 70 7.420 -7.807 5.217 1.00 0.00 C ATOM 1062 CD GLU A 70 8.519 -7.665 6.252 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.429 -8.521 6.271 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.470 -6.700 7.042 1.00 0.00 O ATOM 0 H GLU A 70 6.296 -9.036 3.015 1.00 0.00 H new ATOM 0 HA GLU A 70 5.873 -6.424 3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.485 -7.970 3.368 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.392 -6.339 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.528 -7.287 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.156 -8.860 5.115 1.00 0.00 H new ATOM 1071 N ASN A 71 7.659 -6.741 0.752 1.00 0.00 N ATOM 1072 CA ASN A 71 8.135 -6.029 -0.429 1.00 0.00 C ATOM 1073 C ASN A 71 6.966 -5.544 -1.280 1.00 0.00 C ATOM 1074 O ASN A 71 6.966 -4.413 -1.767 1.00 0.00 O ATOM 1075 CB ASN A 71 9.046 -6.933 -1.262 1.00 0.00 C ATOM 1076 CG ASN A 71 9.935 -6.147 -2.206 1.00 0.00 C ATOM 1077 OD1 ASN A 71 9.848 -4.921 -2.282 1.00 0.00 O ATOM 1078 ND2 ASN A 71 10.796 -6.850 -2.932 1.00 0.00 N ATOM 0 H ASN A 71 7.806 -7.750 0.725 1.00 0.00 H new ATOM 0 HA ASN A 71 8.703 -5.161 -0.095 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.668 -7.531 -0.595 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.435 -7.629 -1.837 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.419 -6.375 -3.585 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.834 -7.865 -2.837 1.00 0.00 H new ATOM 1085 N TYR A 72 5.971 -6.407 -1.456 1.00 0.00 N ATOM 1086 CA TYR A 72 4.796 -6.067 -2.250 1.00 0.00 C ATOM 1087 C TYR A 72 4.224 -4.718 -1.826 1.00 0.00 C ATOM 1088 O TYR A 72 4.028 -3.826 -2.652 1.00 0.00 O ATOM 1089 CB TYR A 72 3.729 -7.154 -2.109 1.00 0.00 C ATOM 1090 CG TYR A 72 2.452 -6.849 -2.858 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.402 -6.921 -4.245 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.294 -6.489 -2.180 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.238 -6.642 -4.934 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.124 -6.210 -2.860 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.101 -6.287 -4.237 1.00 0.00 C ATOM 1096 OH TYR A 72 -1.061 -6.010 -4.919 1.00 0.00 O ATOM 0 H TYR A 72 5.955 -7.347 -1.060 1.00 0.00 H new ATOM 0 HA TYR A 72 5.101 -5.999 -3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.135 -8.099 -2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.497 -7.289 -1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.289 -7.200 -4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.309 -6.426 -1.102 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.218 -6.701 -6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.767 -5.933 -2.317 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.302 -5.069 -4.786 1.00 0.00 H new ATOM 1106 N LEU A 73 3.957 -4.576 -0.532 1.00 0.00 N ATOM 1107 CA LEU A 73 3.407 -3.336 0.004 1.00 0.00 C ATOM 1108 C LEU A 73 4.325 -2.157 -0.302 1.00 0.00 C ATOM 1109 O LEU A 73 3.884 -1.136 -0.832 1.00 0.00 O ATOM 1110 CB LEU A 73 3.201 -3.458 1.515 1.00 0.00 C ATOM 1111 CG LEU A 73 2.017 -4.315 1.963 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.185 -4.740 3.414 1.00 0.00 C ATOM 1113 CD2 LEU A 73 0.709 -3.561 1.774 1.00 0.00 C ATOM 0 H LEU A 73 4.113 -5.304 0.165 1.00 0.00 H new ATOM 0 HA LEU A 73 2.444 -3.157 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.109 -3.871 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.075 -2.457 1.927 1.00 0.00 H new ATOM 0 HG LEU A 73 1.988 -5.212 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.333 -5.349 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.102 -5.320 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.241 -3.855 4.048 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.122 -4.187 2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.727 -2.647 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.584 -3.308 0.721 1.00 0.00 H new ATOM 1125 N ILE A 74 5.602 -2.305 0.033 1.00 0.00 N ATOM 1126 CA ILE A 74 6.582 -1.253 -0.209 1.00 0.00 C ATOM 1127 C ILE A 74 6.409 -0.650 -1.599 1.00 0.00 C ATOM 1128 O ILE A 74 6.148 0.544 -1.739 1.00 0.00 O ATOM 1129 CB ILE A 74 8.021 -1.781 -0.067 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.305 -2.167 1.387 1.00 0.00 C ATOM 1131 CG2 ILE A 74 9.018 -0.738 -0.548 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.550 -3.009 1.557 1.00 0.00 C ATOM 0 H ILE A 74 5.982 -3.143 0.473 1.00 0.00 H new ATOM 0 HA ILE A 74 6.410 -0.483 0.543 1.00 0.00 H new ATOM 0 HB ILE A 74 8.128 -2.671 -0.687 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.406 -1.259 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.449 -2.714 1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.031 -1.126 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.826 -0.508 -1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.912 0.168 0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.689 -3.245 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.444 -3.934 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.416 -2.456 1.192 1.00 0.00 H new ATOM 1144 N GLN A 75 6.554 -1.485 -2.623 1.00 0.00 N ATOM 1145 CA GLN A 75 6.412 -1.034 -4.002 1.00 0.00 C ATOM 1146 C GLN A 75 5.130 -0.229 -4.183 1.00 0.00 C ATOM 1147 O GLN A 75 5.148 0.871 -4.733 1.00 0.00 O ATOM 1148 CB GLN A 75 6.417 -2.230 -4.955 1.00 0.00 C ATOM 1149 CG GLN A 75 7.663 -3.093 -4.843 1.00 0.00 C ATOM 1150 CD GLN A 75 7.894 -3.947 -6.074 1.00 0.00 C ATOM 1151 OE1 GLN A 75 6.994 -4.131 -6.894 1.00 0.00 O ATOM 1152 NE2 GLN A 75 9.105 -4.475 -6.210 1.00 0.00 N ATOM 0 H GLN A 75 6.770 -2.477 -2.524 1.00 0.00 H new ATOM 0 HA GLN A 75 7.259 -0.389 -4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.540 -2.846 -4.756 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.327 -1.868 -5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.530 -2.453 -4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.576 -3.738 -3.969 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.821 -4.296 -5.506 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.319 -5.059 -7.018 1.00 0.00 H new ATOM 1161 N MET A 76 4.017 -0.786 -3.716 1.00 0.00 N ATOM 1162 CA MET A 76 2.725 -0.119 -3.825 1.00 0.00 C ATOM 1163 C MET A 76 2.779 1.276 -3.212 1.00 0.00 C ATOM 1164 O MET A 76 2.095 2.192 -3.669 1.00 0.00 O ATOM 1165 CB MET A 76 1.639 -0.949 -3.138 1.00 0.00 C ATOM 1166 CG MET A 76 1.304 -2.239 -3.869 1.00 0.00 C ATOM 1167 SD MET A 76 -0.378 -2.802 -3.550 1.00 0.00 S ATOM 1168 CE MET A 76 -0.439 -2.693 -1.763 1.00 0.00 C ATOM 0 H MET A 76 3.984 -1.697 -3.259 1.00 0.00 H new ATOM 0 HA MET A 76 2.483 -0.022 -4.883 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.963 -1.189 -2.125 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.735 -0.347 -3.049 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.436 -2.089 -4.941 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.006 -3.016 -3.567 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.502 -3.695 -1.339 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.462 -2.200 -1.398 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.314 -2.117 -1.463 1.00 0.00 H new ATOM 1178 N ALA A 77 3.597 1.431 -2.176 1.00 0.00 N ATOM 1179 CA ALA A 77 3.742 2.715 -1.502 1.00 0.00 C ATOM 1180 C ALA A 77 4.317 3.768 -2.444 1.00 0.00 C ATOM 1181 O ALA A 77 3.629 4.715 -2.826 1.00 0.00 O ATOM 1182 CB ALA A 77 4.623 2.569 -0.270 1.00 0.00 C ATOM 0 H ALA A 77 4.170 0.683 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 77 2.752 3.046 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.722 3.536 0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.170 1.855 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.608 2.211 -0.568 1.00 0.00 H new ATOM 1188 N ARG A 78 5.582 3.596 -2.814 1.00 0.00 N ATOM 1189 CA ARG A 78 6.250 4.532 -3.710 1.00 0.00 C ATOM 1190 C ARG A 78 5.361 4.870 -4.904 1.00 0.00 C ATOM 1191 O ARG A 78 5.322 6.015 -5.357 1.00 0.00 O ATOM 1192 CB ARG A 78 7.576 3.947 -4.198 1.00 0.00 C ATOM 1193 CG ARG A 78 8.592 3.731 -3.087 1.00 0.00 C ATOM 1194 CD ARG A 78 8.468 2.342 -2.482 1.00 0.00 C ATOM 1195 NE ARG A 78 9.746 1.853 -1.970 1.00 0.00 N ATOM 1196 CZ ARG A 78 10.787 1.566 -2.744 1.00 0.00 C ATOM 1197 NH1 ARG A 78 10.702 1.720 -4.058 1.00 0.00 N ATOM 1198 NH2 ARG A 78 11.915 1.126 -2.204 1.00 0.00 N ATOM 0 H ARG A 78 6.165 2.817 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 78 6.448 5.449 -3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.383 2.995 -4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.004 4.614 -4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.599 3.869 -3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.448 4.482 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.737 2.362 -1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.091 1.651 -3.235 1.00 0.00 H new ATOM 0 HE ARG A 78 9.844 1.725 -0.963 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.836 2.059 -4.477 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.503 1.499 -4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.984 1.007 -1.193 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.714 0.906 -2.799 1.00 0.00 H new ATOM 1212 N TYR A 79 4.651 3.868 -5.408 1.00 0.00 N ATOM 1213 CA TYR A 79 3.765 4.058 -6.551 1.00 0.00 C ATOM 1214 C TYR A 79 2.618 5.001 -6.201 1.00 0.00 C ATOM 1215 O TYR A 79 2.215 5.835 -7.010 1.00 0.00 O ATOM 1216 CB TYR A 79 3.209 2.713 -7.021 1.00 0.00 C ATOM 1217 CG TYR A 79 4.212 1.875 -7.780 1.00 0.00 C ATOM 1218 CD1 TYR A 79 5.512 1.719 -7.314 1.00 0.00 C ATOM 1219 CD2 TYR A 79 3.860 1.237 -8.964 1.00 0.00 C ATOM 1220 CE1 TYR A 79 6.432 0.954 -8.005 1.00 0.00 C ATOM 1221 CE2 TYR A 79 4.773 0.470 -9.661 1.00 0.00 C ATOM 1222 CZ TYR A 79 6.058 0.332 -9.177 1.00 0.00 C ATOM 1223 OH TYR A 79 6.971 -0.432 -9.868 1.00 0.00 O ATOM 0 H TYR A 79 4.671 2.916 -5.044 1.00 0.00 H new ATOM 0 HA TYR A 79 4.346 4.506 -7.358 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.860 2.151 -6.155 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.341 2.890 -7.656 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.808 2.204 -6.396 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.855 1.343 -9.345 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.438 0.844 -7.629 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.483 -0.019 -10.579 1.00 0.00 H new ATOM 0 HH TYR A 79 6.548 -0.801 -10.671 1.00 0.00 H new ATOM 1233 N GLY A 80 2.097 4.862 -4.985 1.00 0.00 N ATOM 1234 CA GLY A 80 1.002 5.708 -4.547 1.00 0.00 C ATOM 1235 C GLY A 80 -0.346 5.028 -4.683 1.00 0.00 C ATOM 1236 O GLY A 80 -1.352 5.681 -4.958 1.00 0.00 O ATOM 0 H GLY A 80 2.414 4.179 -4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.159 5.991 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.002 6.628 -5.131 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.366 3.713 -4.491 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.600 2.944 -4.597 1.00 0.00 C ATOM 1242 C GLN A 81 -2.275 2.808 -3.236 1.00 0.00 C ATOM 1243 O GLN A 81 -3.477 2.554 -3.149 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.315 1.558 -5.178 1.00 0.00 C ATOM 1245 CG GLN A 81 -0.712 1.596 -6.573 1.00 0.00 C ATOM 1246 CD GLN A 81 -1.740 1.898 -7.646 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -2.590 1.064 -7.959 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -1.667 3.095 -8.216 1.00 0.00 N ATOM 0 H GLN A 81 0.458 3.158 -4.261 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.275 3.479 -5.266 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.636 1.026 -4.512 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.243 0.988 -5.208 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.073 2.351 -6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.240 0.637 -6.787 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.946 3.755 -7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.332 3.354 -8.945 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.495 2.979 -2.174 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.016 2.875 -0.816 1.00 0.00 C ATOM 1259 C LEU A 82 -2.534 4.224 -0.327 1.00 0.00 C ATOM 1260 O LEU A 82 -1.865 5.247 -0.472 1.00 0.00 O ATOM 1261 CB LEU A 82 -0.931 2.359 0.130 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.283 1.029 -0.254 1.00 0.00 C ATOM 1263 CD1 LEU A 82 1.126 0.939 0.311 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.130 -0.138 0.234 1.00 0.00 C ATOM 0 H LEU A 82 -0.499 3.190 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.846 2.169 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.149 3.115 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.364 2.255 1.125 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.221 0.978 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.571 -0.015 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.730 1.754 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.088 1.013 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.653 -1.077 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.224 -0.091 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.120 -0.083 -0.219 1.00 0.00 H new ATOM 1276 N SER A 83 -3.729 4.218 0.255 1.00 0.00 N ATOM 1277 CA SER A 83 -4.337 5.442 0.764 1.00 0.00 C ATOM 1278 C SER A 83 -4.397 5.425 2.288 1.00 0.00 C ATOM 1279 O SER A 83 -4.110 6.427 2.942 1.00 0.00 O ATOM 1280 CB SER A 83 -5.745 5.614 0.189 1.00 0.00 C ATOM 1281 OG SER A 83 -5.700 5.854 -1.207 1.00 0.00 O ATOM 0 H SER A 83 -4.295 3.380 0.386 1.00 0.00 H new ATOM 0 HA SER A 83 -3.719 6.283 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.334 4.719 0.388 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.246 6.444 0.688 1.00 0.00 H new ATOM 0 HG SER A 83 -6.612 5.959 -1.551 1.00 0.00 H new ATOM 1287 N GLU A 84 -4.773 4.278 2.847 1.00 0.00 N ATOM 1288 CA GLU A 84 -4.871 4.131 4.295 1.00 0.00 C ATOM 1289 C GLU A 84 -3.997 2.980 4.785 1.00 0.00 C ATOM 1290 O GLU A 84 -3.488 2.189 3.990 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.325 3.893 4.708 1.00 0.00 C ATOM 1292 CG GLU A 84 -6.903 2.592 4.177 1.00 0.00 C ATOM 1293 CD GLU A 84 -8.416 2.546 4.268 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -9.081 3.155 3.404 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -8.935 1.902 5.204 1.00 0.00 O ATOM 0 H GLU A 84 -5.014 3.439 2.320 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.517 5.054 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.389 3.892 5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.935 4.724 4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.601 2.462 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.483 1.757 4.738 1.00 0.00 H new ATOM 1302 N LYS A 85 -3.825 2.894 6.100 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.014 1.841 6.698 1.00 0.00 C ATOM 1304 C LYS A 85 -3.720 0.492 6.608 1.00 0.00 C ATOM 1305 O LYS A 85 -4.767 0.286 7.222 1.00 0.00 O ATOM 1306 CB LYS A 85 -2.710 2.172 8.161 1.00 0.00 C ATOM 1307 CG LYS A 85 -1.929 3.463 8.343 1.00 0.00 C ATOM 1308 CD LYS A 85 -1.334 3.563 9.737 1.00 0.00 C ATOM 1309 CE LYS A 85 -0.541 4.849 9.914 1.00 0.00 C ATOM 1310 NZ LYS A 85 0.890 4.674 9.539 1.00 0.00 N ATOM 0 H LYS A 85 -4.237 3.542 6.772 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.078 1.779 6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.648 2.244 8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.145 1.350 8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.132 3.514 7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.586 4.315 8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.132 3.522 10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.685 2.706 9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.983 5.635 9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.607 5.177 10.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.460 5.418 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.221 3.742 9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.989 4.740 8.506 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.139 -0.425 5.840 1.00 0.00 N ATOM 1325 CA VAL A 86 -3.712 -1.755 5.672 1.00 0.00 C ATOM 1326 C VAL A 86 -3.866 -2.461 7.014 1.00 0.00 C ATOM 1327 O VAL A 86 -2.906 -2.588 7.775 1.00 0.00 O ATOM 1328 CB VAL A 86 -2.844 -2.626 4.743 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.296 -4.077 4.798 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.893 -2.097 3.318 1.00 0.00 C ATOM 0 H VAL A 86 -2.272 -0.271 5.325 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.695 -1.622 5.220 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.811 -2.578 5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.672 -4.678 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.204 -4.448 5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.336 -4.147 4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.275 -2.724 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.922 -2.113 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.518 -1.074 3.297 1.00 0.00 H new ATOM 1340 N SER A 87 -5.081 -2.919 7.300 1.00 0.00 N ATOM 1341 CA SER A 87 -5.362 -3.609 8.553 1.00 0.00 C ATOM 1342 C SER A 87 -5.363 -5.122 8.351 1.00 0.00 C ATOM 1343 O SER A 87 -5.306 -5.608 7.222 1.00 0.00 O ATOM 1344 CB SER A 87 -6.712 -3.158 9.116 1.00 0.00 C ATOM 1345 OG SER A 87 -7.784 -3.688 8.356 1.00 0.00 O ATOM 0 H SER A 87 -5.886 -2.824 6.681 1.00 0.00 H new ATOM 0 HA SER A 87 -4.576 -3.355 9.264 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.803 -3.481 10.153 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.765 -2.069 9.115 1.00 0.00 H new ATOM 0 HG SER A 87 -8.635 -3.387 8.737 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.426 -5.859 9.456 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.433 -7.316 9.401 1.00 0.00 C ATOM 1353 C GLU A 88 -6.217 -7.812 8.189 1.00 0.00 C ATOM 1354 O GLU A 88 -5.678 -8.513 7.333 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.035 -7.895 10.683 1.00 0.00 C ATOM 1356 CG GLU A 88 -5.715 -9.364 10.897 1.00 0.00 C ATOM 1357 CD GLU A 88 -6.722 -10.056 11.795 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -7.919 -10.075 11.442 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -6.311 -10.579 12.853 1.00 0.00 O ATOM 0 H GLU A 88 -5.473 -5.472 10.398 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.401 -7.654 9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.669 -7.324 11.536 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.117 -7.768 10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.686 -9.870 9.932 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.721 -9.455 11.334 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.491 -7.441 8.124 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.350 -7.849 7.018 1.00 0.00 C ATOM 1368 C GLN A 89 -7.639 -7.666 5.682 1.00 0.00 C ATOM 1369 O GLN A 89 -7.358 -8.636 4.979 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.651 -7.044 7.032 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.548 -7.358 8.218 1.00 0.00 C ATOM 1372 CD GLN A 89 -11.783 -6.480 8.265 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -12.028 -5.685 7.356 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -12.568 -6.617 9.327 1.00 0.00 N ATOM 0 H GLN A 89 -7.952 -6.859 8.824 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.584 -8.906 7.142 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.411 -5.981 7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.199 -7.240 6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.852 -8.404 8.172 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.982 -7.231 9.141 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.327 -7.288 10.056 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.412 -6.051 9.413 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.351 -6.415 5.336 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.676 -6.128 4.084 1.00 0.00 C ATOM 1385 C GLY A 90 -5.476 -7.025 3.853 1.00 0.00 C ATOM 1386 O GLY A 90 -5.377 -7.690 2.821 1.00 0.00 O ATOM 0 H GLY A 90 -7.573 -5.595 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.379 -6.248 3.260 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.354 -5.087 4.079 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.560 -7.045 4.815 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.359 -7.867 4.712 1.00 0.00 C ATOM 1392 C LEU A 91 -3.712 -9.302 4.334 1.00 0.00 C ATOM 1393 O LEU A 91 -3.360 -9.773 3.252 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.591 -7.850 6.035 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.152 -8.364 5.982 1.00 0.00 C ATOM 1396 CD1 LEU A 91 -0.190 -7.230 5.665 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -0.776 -9.033 7.296 1.00 0.00 C ATOM 0 H LEU A 91 -4.626 -6.501 5.675 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.728 -7.449 3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.577 -6.827 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.143 -8.448 6.760 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.081 -9.105 5.186 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.829 -7.616 5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.445 -6.796 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.263 -6.464 6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.251 -9.393 7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.865 -8.313 8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.445 -9.873 7.481 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.410 -9.990 5.231 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.814 -11.369 4.989 1.00 0.00 C ATOM 1411 C ILE A 92 -5.151 -11.594 3.519 1.00 0.00 C ATOM 1412 O ILE A 92 -4.850 -12.647 2.957 1.00 0.00 O ATOM 1413 CB ILE A 92 -6.030 -11.759 5.849 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.609 -11.960 7.306 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -6.683 -13.020 5.302 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.775 -12.058 8.264 1.00 0.00 C ATOM 0 H ILE A 92 -4.707 -9.615 6.132 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.968 -11.998 5.265 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.759 -10.949 5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.011 -12.868 7.381 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.969 -11.131 7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.541 -13.283 5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.014 -12.844 4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -5.962 -13.838 5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.402 -12.200 9.278 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.362 -11.140 8.218 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.403 -12.904 7.987 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.777 -10.596 2.902 1.00 0.00 N ATOM 1429 CA GLU A 93 -6.154 -10.686 1.496 1.00 0.00 C ATOM 1430 C GLU A 93 -4.941 -10.485 0.593 1.00 0.00 C ATOM 1431 O GLU A 93 -4.752 -11.214 -0.382 1.00 0.00 O ATOM 1432 CB GLU A 93 -7.227 -9.645 1.166 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.639 -10.103 1.490 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.284 -10.860 0.345 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -9.865 -10.206 -0.546 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -9.206 -12.106 0.340 1.00 0.00 O ATOM 0 H GLU A 93 -6.033 -9.718 3.353 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.557 -11.683 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.015 -8.730 1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.168 -9.398 0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.616 -10.740 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.251 -9.235 1.737 1.00 0.00 H new ATOM 1443 N ILE A 94 -4.122 -9.493 0.925 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.927 -9.197 0.144 1.00 0.00 C ATOM 1445 C ILE A 94 -2.083 -10.450 -0.065 1.00 0.00 C ATOM 1446 O ILE A 94 -1.570 -10.690 -1.159 1.00 0.00 O ATOM 1447 CB ILE A 94 -2.063 -8.118 0.825 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.729 -6.746 0.699 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.669 -8.094 0.216 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -2.116 -5.692 1.594 1.00 0.00 C ATOM 0 H ILE A 94 -4.264 -8.881 1.729 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.266 -8.824 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.972 -8.361 1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.664 -6.414 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.788 -6.842 0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.070 -7.327 0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.196 -9.066 0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.741 -7.872 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.638 -4.746 1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.204 -6.002 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.063 -5.567 1.341 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.944 -11.246 0.989 1.00 0.00 N ATOM 1463 CA LEU A 95 -1.163 -12.476 0.920 1.00 0.00 C ATOM 1464 C LEU A 95 -1.687 -13.393 -0.181 1.00 0.00 C ATOM 1465 O LEU A 95 -0.920 -14.106 -0.827 1.00 0.00 O ATOM 1466 CB LEU A 95 -1.202 -13.203 2.266 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.730 -12.398 3.477 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -1.106 -13.108 4.769 1.00 0.00 C ATOM 1469 CD2 LEU A 95 0.772 -12.166 3.412 1.00 0.00 C ATOM 0 H LEU A 95 -2.362 -11.062 1.901 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.132 -12.211 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.225 -13.531 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.588 -14.100 2.190 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.228 -11.428 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.762 -12.521 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.189 -13.221 4.820 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.637 -14.092 4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.089 -11.591 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.288 -13.126 3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.016 -11.614 2.504 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.999 -13.367 -0.391 1.00 0.00 N ATOM 1482 CA LYS A 96 -3.626 -14.192 -1.416 1.00 0.00 C ATOM 1483 C LYS A 96 -3.307 -13.664 -2.811 1.00 0.00 C ATOM 1484 O LYS A 96 -3.685 -14.265 -3.816 1.00 0.00 O ATOM 1485 CB LYS A 96 -5.142 -14.233 -1.210 1.00 0.00 C ATOM 1486 CG LYS A 96 -5.561 -14.126 0.246 1.00 0.00 C ATOM 1487 CD LYS A 96 -4.786 -15.096 1.122 1.00 0.00 C ATOM 1488 CE LYS A 96 -5.608 -15.542 2.322 1.00 0.00 C ATOM 1489 NZ LYS A 96 -4.845 -16.468 3.203 1.00 0.00 N ATOM 0 H LYS A 96 -3.649 -12.783 0.136 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.225 -15.202 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.599 -13.418 -1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.532 -15.163 -1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.399 -13.107 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.629 -14.328 0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.496 -15.967 0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.866 -14.623 1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.918 -14.668 2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.517 -16.035 1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.439 -16.749 4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -4.571 -17.314 2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.991 -15.989 3.553 1.00 0.00 H new ATOM 1503 N LYS A 97 -2.606 -12.536 -2.865 1.00 0.00 N ATOM 1504 CA LYS A 97 -2.232 -11.927 -4.136 1.00 0.00 C ATOM 1505 C LYS A 97 -0.772 -12.216 -4.469 1.00 0.00 C ATOM 1506 O LYS A 97 -0.457 -12.712 -5.550 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.467 -10.416 -4.090 1.00 0.00 C ATOM 1508 CG LYS A 97 -3.672 -10.013 -3.258 1.00 0.00 C ATOM 1509 CD LYS A 97 -4.952 -10.630 -3.795 1.00 0.00 C ATOM 1510 CE LYS A 97 -5.416 -9.934 -5.066 1.00 0.00 C ATOM 1511 NZ LYS A 97 -6.255 -8.740 -4.770 1.00 0.00 N ATOM 0 H LYS A 97 -2.285 -12.025 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.857 -12.362 -4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.578 -9.931 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.598 -10.046 -5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.522 -10.325 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.765 -8.927 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.790 -11.689 -3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.734 -10.566 -3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.548 -9.632 -5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.985 -10.635 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.551 -8.294 -5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.096 -9.031 -4.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.704 -8.059 -4.209 1.00 0.00 H new ATOM 1525 N VAL A 98 0.117 -11.902 -3.531 1.00 0.00 N ATOM 1526 CA VAL A 98 1.544 -12.130 -3.724 1.00 0.00 C ATOM 1527 C VAL A 98 1.878 -13.616 -3.656 1.00 0.00 C ATOM 1528 O VAL A 98 2.793 -14.089 -4.330 1.00 0.00 O ATOM 1529 CB VAL A 98 2.380 -11.379 -2.670 1.00 0.00 C ATOM 1530 CG1 VAL A 98 1.779 -11.560 -1.284 1.00 0.00 C ATOM 1531 CG2 VAL A 98 3.825 -11.854 -2.700 1.00 0.00 C ATOM 0 H VAL A 98 -0.126 -11.489 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 98 1.794 -11.749 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 98 2.366 -10.316 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.383 -11.023 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.762 -11.167 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.761 -12.620 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.401 -11.313 -1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.861 -12.922 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.249 -11.667 -3.687 1.00 0.00 H new