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 Set 1.1: A 71 ASN : amide:sc= -0.678 K(o=-1.3,f=0) USER MOD Set 1.2: A 75 GLN : amide:sc= -0.623 K(o=-1.3,f=-0.55) USER MOD Single : A 38 MET CE :methyl -169:sc= -0.0314 (180deg=-0.273) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.24) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) 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= -8.76! C(o=-8.8!,f=-16!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= -0.382 (180deg=-0.449) USER MOD Single : A 66 THR OG1 : rot 81:sc= -0.287 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -102:sc= 0.14 USER MOD Single : A 76 MET CE :methyl 140:sc= -5.52! (180deg=-7.14!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0866 X(o=-0.087,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.38) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 173:sc=-0.00153 (180deg=-0.0773) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 16.135 0.436 6.408 1.00 0.00 N ATOM 525 CA GLU A 37 15.514 1.304 7.401 1.00 0.00 C ATOM 526 C GLU A 37 14.354 2.087 6.791 1.00 0.00 C ATOM 527 O GLU A 37 13.229 2.036 7.286 1.00 0.00 O ATOM 528 CB GLU A 37 16.546 2.272 7.983 1.00 0.00 C ATOM 529 CG GLU A 37 17.622 1.590 8.810 1.00 0.00 C ATOM 530 CD GLU A 37 18.592 2.575 9.433 1.00 0.00 C ATOM 531 OE1 GLU A 37 18.187 3.295 10.370 1.00 0.00 O ATOM 532 OE2 GLU A 37 19.756 2.625 8.984 1.00 0.00 O ATOM 0 HA GLU A 37 15.125 0.675 8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 37 17.019 2.819 7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.033 3.006 8.604 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.151 1.002 9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.173 0.893 8.178 1.00 0.00 H new ATOM 539 N MET A 38 14.639 2.809 5.712 1.00 0.00 N ATOM 540 CA MET A 38 13.620 3.602 5.033 1.00 0.00 C ATOM 541 C MET A 38 12.380 2.762 4.746 1.00 0.00 C ATOM 542 O MET A 38 11.252 3.215 4.942 1.00 0.00 O ATOM 543 CB MET A 38 14.176 4.175 3.728 1.00 0.00 C ATOM 544 CG MET A 38 14.699 3.115 2.773 1.00 0.00 C ATOM 545 SD MET A 38 15.667 3.815 1.422 1.00 0.00 S ATOM 546 CE MET A 38 14.453 4.884 0.654 1.00 0.00 C ATOM 0 H MET A 38 15.566 2.861 5.289 1.00 0.00 H new ATOM 0 HA MET A 38 13.336 4.424 5.690 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.394 4.747 3.230 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.981 4.872 3.961 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.314 2.405 3.326 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.859 2.556 2.361 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.833 5.236 -0.305 1.00 0.00 H new ATOM 0 HE2 MET A 38 13.528 4.329 0.496 1.00 0.00 H new ATOM 0 HE3 MET A 38 14.258 5.738 1.303 1.00 0.00 H new ATOM 556 N ARG A 39 12.596 1.536 4.280 1.00 0.00 N ATOM 557 CA ARG A 39 11.495 0.634 3.964 1.00 0.00 C ATOM 558 C ARG A 39 10.699 0.287 5.219 1.00 0.00 C ATOM 559 O ARG A 39 9.473 0.388 5.236 1.00 0.00 O ATOM 560 CB ARG A 39 12.026 -0.646 3.315 1.00 0.00 C ATOM 561 CG ARG A 39 12.630 -1.627 4.307 1.00 0.00 C ATOM 562 CD ARG A 39 13.198 -2.850 3.605 1.00 0.00 C ATOM 563 NE ARG A 39 13.651 -3.865 4.553 1.00 0.00 N ATOM 564 CZ ARG A 39 13.911 -5.122 4.215 1.00 0.00 C ATOM 565 NH1 ARG A 39 13.766 -5.518 2.958 1.00 0.00 N ATOM 566 NH2 ARG A 39 14.319 -5.987 5.135 1.00 0.00 N ATOM 0 H ARG A 39 13.523 1.145 4.113 1.00 0.00 H new ATOM 0 HA ARG A 39 10.833 1.142 3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.212 -1.137 2.781 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.780 -0.382 2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.419 -1.133 4.875 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.869 -1.938 5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.438 -3.278 2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.032 -2.549 2.970 1.00 0.00 H new ATOM 0 HE ARG A 39 13.774 -3.593 5.528 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.454 -4.856 2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.967 -6.485 2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.433 -5.686 6.103 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.518 -6.953 4.874 1.00 0.00 H new ATOM 580 N ASN A 40 11.406 -0.122 6.268 1.00 0.00 N ATOM 581 CA ASN A 40 10.765 -0.485 7.527 1.00 0.00 C ATOM 582 C ASN A 40 9.646 0.494 7.869 1.00 0.00 C ATOM 583 O ASN A 40 8.514 0.090 8.137 1.00 0.00 O ATOM 584 CB ASN A 40 11.796 -0.514 8.658 1.00 0.00 C ATOM 585 CG ASN A 40 11.426 -1.498 9.751 1.00 0.00 C ATOM 586 OD1 ASN A 40 10.538 -1.237 10.562 1.00 0.00 O ATOM 587 ND2 ASN A 40 12.109 -2.637 9.777 1.00 0.00 N ATOM 0 H ASN A 40 12.422 -0.210 6.271 1.00 0.00 H new ATOM 0 HA ASN A 40 10.332 -1.479 7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.772 -0.778 8.250 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.889 0.484 9.087 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.905 -3.338 10.490 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.837 -2.811 9.084 1.00 0.00 H new ATOM 594 N SER A 41 9.970 1.783 7.858 1.00 0.00 N ATOM 595 CA SER A 41 8.993 2.820 8.170 1.00 0.00 C ATOM 596 C SER A 41 7.853 2.815 7.157 1.00 0.00 C ATOM 597 O SER A 41 6.681 2.904 7.524 1.00 0.00 O ATOM 598 CB SER A 41 9.665 4.194 8.192 1.00 0.00 C ATOM 599 OG SER A 41 8.988 5.079 9.067 1.00 0.00 O ATOM 0 H SER A 41 10.902 2.134 7.636 1.00 0.00 H new ATOM 0 HA SER A 41 8.580 2.610 9.157 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.703 4.089 8.507 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.678 4.612 7.185 1.00 0.00 H new ATOM 0 HG SER A 41 9.438 5.950 9.064 1.00 0.00 H new ATOM 605 N ILE A 42 8.205 2.710 5.880 1.00 0.00 N ATOM 606 CA ILE A 42 7.213 2.692 4.813 1.00 0.00 C ATOM 607 C ILE A 42 6.247 1.524 4.980 1.00 0.00 C ATOM 608 O ILE A 42 5.099 1.585 4.536 1.00 0.00 O ATOM 609 CB ILE A 42 7.877 2.599 3.427 1.00 0.00 C ATOM 610 CG1 ILE A 42 8.851 3.762 3.225 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.821 2.590 2.332 1.00 0.00 C ATOM 612 CD1 ILE A 42 9.935 3.474 2.211 1.00 0.00 C ATOM 0 H ILE A 42 9.170 2.636 5.559 1.00 0.00 H new ATOM 0 HA ILE A 42 6.662 3.630 4.880 1.00 0.00 H new ATOM 0 HB ILE A 42 8.437 1.666 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.292 4.642 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.315 4.007 4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.307 2.524 1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.163 1.732 2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.235 3.508 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.588 4.342 2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.519 2.613 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.481 3.259 1.244 1.00 0.00 H new ATOM 624 N LEU A 43 6.718 0.462 5.624 1.00 0.00 N ATOM 625 CA LEU A 43 5.895 -0.721 5.852 1.00 0.00 C ATOM 626 C LEU A 43 5.012 -0.542 7.083 1.00 0.00 C ATOM 627 O LEU A 43 3.891 -1.046 7.134 1.00 0.00 O ATOM 628 CB LEU A 43 6.780 -1.957 6.021 1.00 0.00 C ATOM 629 CG LEU A 43 7.325 -2.574 4.733 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.394 -3.609 5.047 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.199 -3.198 3.922 1.00 0.00 C ATOM 0 H LEU A 43 7.665 0.396 5.997 1.00 0.00 H new ATOM 0 HA LEU A 43 5.251 -0.858 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.624 -1.691 6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.208 -2.719 6.551 1.00 0.00 H new ATOM 0 HG LEU A 43 7.779 -1.782 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.770 -4.037 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.214 -3.133 5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.965 -4.399 5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.606 -3.632 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.716 -3.978 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.468 -2.432 3.665 1.00 0.00 H new ATOM 643 N ALA A 44 5.526 0.183 8.072 1.00 0.00 N ATOM 644 CA ALA A 44 4.783 0.433 9.301 1.00 0.00 C ATOM 645 C ALA A 44 3.686 1.469 9.078 1.00 0.00 C ATOM 646 O ALA A 44 2.655 1.448 9.750 1.00 0.00 O ATOM 647 CB ALA A 44 5.726 0.889 10.404 1.00 0.00 C ATOM 0 H ALA A 44 6.453 0.607 8.046 1.00 0.00 H new ATOM 0 HA ALA A 44 4.309 -0.500 9.606 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.158 1.072 11.316 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.470 0.115 10.590 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.227 1.808 10.098 1.00 0.00 H new ATOM 653 N GLN A 45 3.916 2.373 8.131 1.00 0.00 N ATOM 654 CA GLN A 45 2.947 3.418 7.822 1.00 0.00 C ATOM 655 C GLN A 45 1.818 2.873 6.954 1.00 0.00 C ATOM 656 O GLN A 45 0.667 3.290 7.081 1.00 0.00 O ATOM 657 CB GLN A 45 3.634 4.586 7.112 1.00 0.00 C ATOM 658 CG GLN A 45 3.991 4.293 5.664 1.00 0.00 C ATOM 659 CD GLN A 45 4.651 5.472 4.975 1.00 0.00 C ATOM 660 OE1 GLN A 45 5.644 6.013 5.461 1.00 0.00 O ATOM 661 NE2 GLN A 45 4.100 5.876 3.837 1.00 0.00 N ATOM 0 H GLN A 45 4.764 2.403 7.565 1.00 0.00 H new ATOM 0 HA GLN A 45 2.521 3.773 8.760 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.980 5.457 7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.542 4.847 7.656 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.660 3.434 5.626 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.088 4.018 5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.277 5.398 3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.500 6.665 3.329 1.00 0.00 H new ATOM 670 N VAL A 46 2.155 1.939 6.070 1.00 0.00 N ATOM 671 CA VAL A 46 1.169 1.337 5.181 1.00 0.00 C ATOM 672 C VAL A 46 0.423 0.203 5.876 1.00 0.00 C ATOM 673 O VAL A 46 -0.616 -0.255 5.398 1.00 0.00 O ATOM 674 CB VAL A 46 1.828 0.793 3.899 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.585 1.897 3.178 1.00 0.00 C ATOM 676 CG2 VAL A 46 2.751 -0.371 4.228 1.00 0.00 C ATOM 0 H VAL A 46 3.103 1.583 5.951 1.00 0.00 H new ATOM 0 HA VAL A 46 0.463 2.123 4.913 1.00 0.00 H new ATOM 0 HB VAL A 46 1.044 0.429 3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.044 1.494 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.894 2.696 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.361 2.294 3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.208 -0.743 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.531 -0.035 4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.176 -1.170 4.697 1.00 0.00 H new ATOM 686 N LEU A 47 0.958 -0.244 7.006 1.00 0.00 N ATOM 687 CA LEU A 47 0.342 -1.325 7.769 1.00 0.00 C ATOM 688 C LEU A 47 -0.120 -0.832 9.136 1.00 0.00 C ATOM 689 O LEU A 47 0.637 -0.189 9.863 1.00 0.00 O ATOM 690 CB LEU A 47 1.327 -2.483 7.937 1.00 0.00 C ATOM 691 CG LEU A 47 1.580 -3.335 6.693 1.00 0.00 C ATOM 692 CD1 LEU A 47 2.596 -4.427 6.992 1.00 0.00 C ATOM 693 CD2 LEU A 47 0.279 -3.939 6.186 1.00 0.00 C ATOM 0 H LEU A 47 1.817 0.125 7.415 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.530 -1.676 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.280 -2.077 8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.959 -3.134 8.730 1.00 0.00 H new ATOM 0 HG LEU A 47 1.987 -2.692 5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.764 -5.023 6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.536 -3.973 7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.218 -5.068 7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.479 -4.542 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.157 -4.568 6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.418 -3.141 5.932 1.00 0.00 H new ATOM 705 N ASP A 48 -1.366 -1.139 9.480 1.00 0.00 N ATOM 706 CA ASP A 48 -1.928 -0.730 10.762 1.00 0.00 C ATOM 707 C ASP A 48 -1.423 -1.628 11.888 1.00 0.00 C ATOM 708 O ASP A 48 -0.896 -2.711 11.640 1.00 0.00 O ATOM 709 CB ASP A 48 -3.456 -0.768 10.709 1.00 0.00 C ATOM 710 CG ASP A 48 -4.035 0.365 9.885 1.00 0.00 C ATOM 711 OD1 ASP A 48 -4.114 1.497 10.406 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.410 0.120 8.719 1.00 0.00 O ATOM 0 H ASP A 48 -2.006 -1.670 8.889 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.605 0.291 10.963 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.778 -1.721 10.289 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.853 -0.716 11.723 1.00 0.00 H new ATOM 717 N GLN A 49 -1.589 -1.168 13.124 1.00 0.00 N ATOM 718 CA GLN A 49 -1.148 -1.928 14.287 1.00 0.00 C ATOM 719 C GLN A 49 -1.631 -3.373 14.207 1.00 0.00 C ATOM 720 O GLN A 49 -0.864 -4.308 14.439 1.00 0.00 O ATOM 721 CB GLN A 49 -1.661 -1.277 15.573 1.00 0.00 C ATOM 722 CG GLN A 49 -1.129 -1.930 16.839 1.00 0.00 C ATOM 723 CD GLN A 49 -1.178 -1.003 18.038 1.00 0.00 C ATOM 724 OE1 GLN A 49 -2.216 -0.862 18.685 1.00 0.00 O ATOM 725 NE2 GLN A 49 -0.053 -0.365 18.340 1.00 0.00 N ATOM 0 H GLN A 49 -2.026 -0.273 13.345 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.058 -1.928 14.298 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.383 -0.223 15.573 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.750 -1.319 15.582 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.711 -2.826 17.053 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.100 -2.250 16.674 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.784 -0.512 17.776 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.026 0.272 19.136 1.00 0.00 H new ATOM 734 N SER A 50 -2.906 -3.548 13.878 1.00 0.00 N ATOM 735 CA SER A 50 -3.493 -4.879 13.772 1.00 0.00 C ATOM 736 C SER A 50 -2.726 -5.732 12.766 1.00 0.00 C ATOM 737 O SER A 50 -2.236 -6.812 13.096 1.00 0.00 O ATOM 738 CB SER A 50 -4.962 -4.781 13.359 1.00 0.00 C ATOM 739 OG SER A 50 -5.770 -4.360 14.444 1.00 0.00 O ATOM 0 H SER A 50 -3.553 -2.785 13.680 1.00 0.00 H new ATOM 0 HA SER A 50 -3.430 -5.356 14.750 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.064 -4.079 12.532 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.307 -5.750 12.999 1.00 0.00 H new ATOM 0 HG SER A 50 -6.704 -4.304 14.154 1.00 0.00 H new ATOM 745 N ALA A 51 -2.625 -5.238 11.536 1.00 0.00 N ATOM 746 CA ALA A 51 -1.917 -5.952 10.481 1.00 0.00 C ATOM 747 C ALA A 51 -0.477 -6.246 10.889 1.00 0.00 C ATOM 748 O ALA A 51 0.033 -7.342 10.654 1.00 0.00 O ATOM 749 CB ALA A 51 -1.948 -5.150 9.188 1.00 0.00 C ATOM 0 H ALA A 51 -3.025 -4.346 11.246 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.423 -6.904 10.317 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.415 -5.695 8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.982 -4.995 8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.469 -4.184 9.347 1.00 0.00 H new ATOM 755 N ARG A 52 0.173 -5.262 11.500 1.00 0.00 N ATOM 756 CA ARG A 52 1.555 -5.415 11.938 1.00 0.00 C ATOM 757 C ARG A 52 1.731 -6.701 12.742 1.00 0.00 C ATOM 758 O ARG A 52 2.634 -7.492 12.474 1.00 0.00 O ATOM 759 CB ARG A 52 1.982 -4.212 12.782 1.00 0.00 C ATOM 760 CG ARG A 52 2.081 -2.918 11.990 1.00 0.00 C ATOM 761 CD ARG A 52 3.469 -2.733 11.398 1.00 0.00 C ATOM 762 NE ARG A 52 4.441 -2.308 12.403 1.00 0.00 N ATOM 763 CZ ARG A 52 4.426 -1.112 12.980 1.00 0.00 C ATOM 764 NH1 ARG A 52 3.495 -0.226 12.654 1.00 0.00 N ATOM 765 NH2 ARG A 52 5.344 -0.800 13.886 1.00 0.00 N ATOM 0 H ARG A 52 -0.235 -4.350 11.703 1.00 0.00 H new ATOM 0 HA ARG A 52 2.186 -5.471 11.051 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.268 -4.077 13.595 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.949 -4.424 13.239 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.341 -2.922 11.190 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.845 -2.074 12.638 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.799 -3.669 10.948 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.427 -1.993 10.599 1.00 0.00 H new ATOM 0 HE ARG A 52 5.171 -2.966 12.676 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.788 -0.462 11.958 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.486 0.692 13.099 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.062 -1.479 14.140 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.332 0.119 14.329 1.00 0.00 H new ATOM 779 N ALA A 53 0.862 -6.900 13.727 1.00 0.00 N ATOM 780 CA ALA A 53 0.920 -8.090 14.567 1.00 0.00 C ATOM 781 C ALA A 53 0.989 -9.357 13.722 1.00 0.00 C ATOM 782 O ALA A 53 1.877 -10.190 13.906 1.00 0.00 O ATOM 783 CB ALA A 53 -0.284 -8.138 15.497 1.00 0.00 C ATOM 0 H ALA A 53 0.110 -6.253 13.963 1.00 0.00 H new ATOM 0 HA ALA A 53 1.828 -8.036 15.168 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.228 -9.032 16.119 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.288 -7.253 16.133 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.199 -8.164 14.906 1.00 0.00 H new ATOM 789 N ARG A 54 0.046 -9.496 12.795 1.00 0.00 N ATOM 790 CA ARG A 54 0.000 -10.664 11.923 1.00 0.00 C ATOM 791 C ARG A 54 1.296 -10.802 11.130 1.00 0.00 C ATOM 792 O ARG A 54 1.970 -11.831 11.196 1.00 0.00 O ATOM 793 CB ARG A 54 -1.188 -10.563 10.964 1.00 0.00 C ATOM 794 CG ARG A 54 -1.481 -11.856 10.220 1.00 0.00 C ATOM 795 CD ARG A 54 -2.408 -12.760 11.018 1.00 0.00 C ATOM 796 NE ARG A 54 -2.672 -14.019 10.327 1.00 0.00 N ATOM 797 CZ ARG A 54 -3.727 -14.787 10.576 1.00 0.00 C ATOM 798 NH1 ARG A 54 -4.612 -14.425 11.494 1.00 0.00 N ATOM 799 NH2 ARG A 54 -3.898 -15.919 9.905 1.00 0.00 N ATOM 0 H ARG A 54 -0.695 -8.815 12.629 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.119 -11.549 12.548 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.074 -10.268 11.526 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.993 -9.773 10.239 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.935 -11.627 9.256 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.547 -12.380 10.016 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.963 -12.967 11.991 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.350 -12.243 11.201 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.010 -14.326 9.614 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.484 -13.555 12.011 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.421 -15.016 11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.219 -16.200 9.197 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.708 -16.508 10.097 1.00 0.00 H new ATOM 813 N LEU A 55 1.640 -9.760 10.381 1.00 0.00 N ATOM 814 CA LEU A 55 2.856 -9.765 9.575 1.00 0.00 C ATOM 815 C LEU A 55 4.035 -10.315 10.371 1.00 0.00 C ATOM 816 O LEU A 55 4.893 -11.010 9.828 1.00 0.00 O ATOM 817 CB LEU A 55 3.172 -8.351 9.085 1.00 0.00 C ATOM 818 CG LEU A 55 4.443 -8.199 8.248 1.00 0.00 C ATOM 819 CD1 LEU A 55 4.305 -8.943 6.929 1.00 0.00 C ATOM 820 CD2 LEU A 55 4.748 -6.729 8.004 1.00 0.00 C ATOM 0 H LEU A 55 1.094 -8.901 10.315 1.00 0.00 H new ATOM 0 HA LEU A 55 2.689 -10.413 8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.328 -7.995 8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.252 -7.697 9.953 1.00 0.00 H new ATOM 0 HG LEU A 55 5.275 -8.635 8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.219 -8.824 6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.135 -10.002 7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.462 -8.538 6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.656 -6.640 7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.916 -6.268 7.471 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.891 -6.224 8.959 1.00 0.00 H new ATOM 832 N SER A 56 4.068 -10.002 11.663 1.00 0.00 N ATOM 833 CA SER A 56 5.143 -10.463 12.534 1.00 0.00 C ATOM 834 C SER A 56 5.004 -11.954 12.824 1.00 0.00 C ATOM 835 O SER A 56 5.997 -12.676 12.910 1.00 0.00 O ATOM 836 CB SER A 56 5.139 -9.674 13.845 1.00 0.00 C ATOM 837 OG SER A 56 6.351 -9.861 14.555 1.00 0.00 O ATOM 0 H SER A 56 3.363 -9.431 12.129 1.00 0.00 H new ATOM 0 HA SER A 56 6.090 -10.297 12.021 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.996 -8.614 13.635 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.299 -9.992 14.462 1.00 0.00 H new ATOM 0 HG SER A 56 6.325 -9.346 15.388 1.00 0.00 H new ATOM 843 N ASN A 57 3.764 -12.409 12.973 1.00 0.00 N ATOM 844 CA ASN A 57 3.494 -13.814 13.254 1.00 0.00 C ATOM 845 C ASN A 57 3.943 -14.697 12.093 1.00 0.00 C ATOM 846 O ASN A 57 4.520 -15.766 12.299 1.00 0.00 O ATOM 847 CB ASN A 57 2.002 -14.025 13.522 1.00 0.00 C ATOM 848 CG ASN A 57 1.227 -14.342 12.258 1.00 0.00 C ATOM 849 OD1 ASN A 57 0.398 -13.549 11.810 1.00 0.00 O ATOM 850 ND2 ASN A 57 1.493 -15.506 11.677 1.00 0.00 N ATOM 0 H ASN A 57 2.931 -11.825 12.904 1.00 0.00 H new ATOM 0 HA ASN A 57 4.059 -14.096 14.142 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.875 -14.839 14.236 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.588 -13.128 13.984 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.002 -15.774 10.824 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.188 -16.132 12.084 1.00 0.00 H new ATOM 857 N LEU A 58 3.674 -14.244 10.874 1.00 0.00 N ATOM 858 CA LEU A 58 4.051 -14.992 9.679 1.00 0.00 C ATOM 859 C LEU A 58 5.566 -15.142 9.586 1.00 0.00 C ATOM 860 O LEU A 58 6.070 -16.139 9.071 1.00 0.00 O ATOM 861 CB LEU A 58 3.518 -14.293 8.427 1.00 0.00 C ATOM 862 CG LEU A 58 3.521 -15.122 7.143 1.00 0.00 C ATOM 863 CD1 LEU A 58 2.516 -16.259 7.239 1.00 0.00 C ATOM 864 CD2 LEU A 58 3.220 -14.242 5.939 1.00 0.00 C ATOM 0 H LEU A 58 3.196 -13.363 10.686 1.00 0.00 H new ATOM 0 HA LEU A 58 3.610 -15.986 9.748 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.496 -13.968 8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.111 -13.394 8.257 1.00 0.00 H new ATOM 0 HG LEU A 58 4.514 -15.552 7.014 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.532 -16.838 6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.777 -16.905 8.077 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.517 -15.850 7.393 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.226 -14.849 5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.239 -13.782 6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.978 -13.463 5.859 1.00 0.00 H new ATOM 876 N ALA A 59 6.286 -14.145 10.089 1.00 0.00 N ATOM 877 CA ALA A 59 7.744 -14.168 10.067 1.00 0.00 C ATOM 878 C ALA A 59 8.286 -15.355 10.856 1.00 0.00 C ATOM 879 O ALA A 59 9.484 -15.641 10.822 1.00 0.00 O ATOM 880 CB ALA A 59 8.301 -12.865 10.620 1.00 0.00 C ATOM 0 H ALA A 59 5.884 -13.311 10.517 1.00 0.00 H new ATOM 0 HA ALA A 59 8.066 -14.277 9.031 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.390 -12.896 10.598 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.949 -12.032 10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.963 -12.732 11.648 1.00 0.00 H new ATOM 886 N LEU A 60 7.399 -16.042 11.566 1.00 0.00 N ATOM 887 CA LEU A 60 7.789 -17.199 12.365 1.00 0.00 C ATOM 888 C LEU A 60 7.520 -18.497 11.611 1.00 0.00 C ATOM 889 O LEU A 60 8.442 -19.257 11.314 1.00 0.00 O ATOM 890 CB LEU A 60 7.033 -17.203 13.696 1.00 0.00 C ATOM 891 CG LEU A 60 7.319 -16.028 14.633 1.00 0.00 C ATOM 892 CD1 LEU A 60 6.160 -15.820 15.595 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.614 -16.259 15.397 1.00 0.00 C ATOM 0 H LEU A 60 6.405 -15.818 11.605 1.00 0.00 H new ATOM 0 HA LEU A 60 8.859 -17.130 12.562 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.964 -17.221 13.484 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.269 -18.128 14.223 1.00 0.00 H new ATOM 0 HG LEU A 60 7.432 -15.126 14.031 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.380 -14.980 16.254 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.252 -15.609 15.030 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.016 -16.721 16.191 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.802 -15.413 16.059 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.530 -17.171 15.988 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.439 -16.359 14.692 1.00 0.00 H new ATOM 905 N VAL A 61 6.251 -18.744 11.302 1.00 0.00 N ATOM 906 CA VAL A 61 5.861 -19.949 10.580 1.00 0.00 C ATOM 907 C VAL A 61 6.665 -20.103 9.293 1.00 0.00 C ATOM 908 O VAL A 61 7.175 -21.182 8.992 1.00 0.00 O ATOM 909 CB VAL A 61 4.360 -19.936 10.235 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.980 -18.631 9.551 1.00 0.00 C ATOM 911 CG2 VAL A 61 4.003 -21.129 9.361 1.00 0.00 C ATOM 0 H VAL A 61 5.476 -18.126 11.540 1.00 0.00 H new ATOM 0 HA VAL A 61 6.068 -20.793 11.238 1.00 0.00 H new ATOM 0 HB VAL A 61 3.792 -20.011 11.162 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.916 -18.640 9.315 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.197 -17.795 10.216 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.555 -18.521 8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.939 -21.103 9.127 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.579 -21.088 8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.236 -22.052 9.892 1.00 0.00 H new ATOM 921 N LYS A 62 6.775 -19.016 8.537 1.00 0.00 N ATOM 922 CA LYS A 62 7.519 -19.027 7.283 1.00 0.00 C ATOM 923 C LYS A 62 7.890 -17.611 6.858 1.00 0.00 C ATOM 924 O LYS A 62 7.056 -16.840 6.382 1.00 0.00 O ATOM 925 CB LYS A 62 6.694 -19.701 6.184 1.00 0.00 C ATOM 926 CG LYS A 62 5.203 -19.437 6.294 1.00 0.00 C ATOM 927 CD LYS A 62 4.457 -19.927 5.064 1.00 0.00 C ATOM 928 CE LYS A 62 2.951 -19.886 5.271 1.00 0.00 C ATOM 929 NZ LYS A 62 2.219 -20.544 4.154 1.00 0.00 N ATOM 0 H LYS A 62 6.358 -18.115 8.771 1.00 0.00 H new ATOM 0 HA LYS A 62 8.438 -19.593 7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.045 -19.353 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.868 -20.777 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.809 -19.933 7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.030 -18.369 6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.724 -19.310 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.766 -20.946 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.700 -20.379 6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.625 -18.850 5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.196 -20.495 4.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.438 -20.058 3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.511 -21.540 4.086 1.00 0.00 H new ATOM 943 N PRO A 63 9.173 -17.257 7.031 1.00 0.00 N ATOM 944 CA PRO A 63 9.684 -15.932 6.670 1.00 0.00 C ATOM 945 C PRO A 63 9.727 -15.719 5.160 1.00 0.00 C ATOM 946 O PRO A 63 9.501 -14.612 4.674 1.00 0.00 O ATOM 947 CB PRO A 63 11.101 -15.928 7.251 1.00 0.00 C ATOM 948 CG PRO A 63 11.489 -17.365 7.312 1.00 0.00 C ATOM 949 CD PRO A 63 10.222 -18.125 7.592 1.00 0.00 C ATOM 0 HA PRO A 63 9.049 -15.132 7.052 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.785 -15.359 6.621 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.122 -15.470 8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.938 -17.688 6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.228 -17.537 8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.228 -19.106 7.117 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.079 -18.289 8.660 1.00 0.00 H new ATOM 957 N GLU A 64 10.019 -16.787 4.424 1.00 0.00 N ATOM 958 CA GLU A 64 10.092 -16.715 2.970 1.00 0.00 C ATOM 959 C GLU A 64 8.842 -16.054 2.395 1.00 0.00 C ATOM 960 O GLU A 64 8.906 -15.352 1.385 1.00 0.00 O ATOM 961 CB GLU A 64 10.260 -18.115 2.376 1.00 0.00 C ATOM 962 CG GLU A 64 9.196 -19.101 2.828 1.00 0.00 C ATOM 963 CD GLU A 64 9.334 -20.456 2.161 1.00 0.00 C ATOM 964 OE1 GLU A 64 9.328 -20.505 0.913 1.00 0.00 O ATOM 965 OE2 GLU A 64 9.448 -21.466 2.886 1.00 0.00 O ATOM 0 H GLU A 64 10.209 -17.712 4.811 1.00 0.00 H new ATOM 0 HA GLU A 64 10.958 -16.109 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.239 -18.044 1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.241 -18.501 2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.257 -19.225 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.210 -18.691 2.609 1.00 0.00 H new ATOM 972 N LYS A 65 7.707 -16.283 3.045 1.00 0.00 N ATOM 973 CA LYS A 65 6.441 -15.711 2.601 1.00 0.00 C ATOM 974 C LYS A 65 6.285 -14.279 3.105 1.00 0.00 C ATOM 975 O LYS A 65 5.823 -13.400 2.377 1.00 0.00 O ATOM 976 CB LYS A 65 5.271 -16.566 3.091 1.00 0.00 C ATOM 977 CG LYS A 65 4.070 -16.544 2.161 1.00 0.00 C ATOM 978 CD LYS A 65 3.350 -15.207 2.212 1.00 0.00 C ATOM 979 CE LYS A 65 1.948 -15.307 1.629 1.00 0.00 C ATOM 980 NZ LYS A 65 1.012 -16.004 2.554 1.00 0.00 N ATOM 0 H LYS A 65 7.637 -16.861 3.882 1.00 0.00 H new ATOM 0 HA LYS A 65 6.440 -15.696 1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.609 -17.595 3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.963 -16.216 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.395 -16.744 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.380 -17.341 2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.292 -14.863 3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.923 -14.462 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.571 -14.307 1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.986 -15.842 0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.042 -15.934 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.281 -17.006 2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.058 -15.560 3.493 1.00 0.00 H new ATOM 994 N THR A 66 6.675 -14.051 4.355 1.00 0.00 N ATOM 995 CA THR A 66 6.579 -12.727 4.956 1.00 0.00 C ATOM 996 C THR A 66 7.366 -11.699 4.151 1.00 0.00 C ATOM 997 O THR A 66 6.953 -10.547 4.022 1.00 0.00 O ATOM 998 CB THR A 66 7.095 -12.729 6.407 1.00 0.00 C ATOM 999 OG1 THR A 66 6.455 -13.771 7.153 1.00 0.00 O ATOM 1000 CG2 THR A 66 6.836 -11.388 7.076 1.00 0.00 C ATOM 0 H THR A 66 7.061 -14.767 4.971 1.00 0.00 H new ATOM 0 HA THR A 66 5.523 -12.456 4.954 1.00 0.00 H new ATOM 0 HB THR A 66 8.171 -12.905 6.386 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.898 -14.625 6.967 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.209 -11.414 8.100 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.348 -10.601 6.523 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.765 -11.187 7.085 1.00 0.00 H new ATOM 1008 N LYS A 67 8.504 -12.123 3.610 1.00 0.00 N ATOM 1009 CA LYS A 67 9.349 -11.241 2.815 1.00 0.00 C ATOM 1010 C LYS A 67 8.593 -10.712 1.600 1.00 0.00 C ATOM 1011 O LYS A 67 8.362 -9.510 1.476 1.00 0.00 O ATOM 1012 CB LYS A 67 10.610 -11.981 2.362 1.00 0.00 C ATOM 1013 CG LYS A 67 11.576 -12.286 3.494 1.00 0.00 C ATOM 1014 CD LYS A 67 12.992 -12.485 2.981 1.00 0.00 C ATOM 1015 CE LYS A 67 13.996 -12.538 4.122 1.00 0.00 C ATOM 1016 NZ LYS A 67 15.376 -12.216 3.662 1.00 0.00 N ATOM 0 H LYS A 67 8.862 -13.073 3.708 1.00 0.00 H new ATOM 0 HA LYS A 67 9.636 -10.395 3.439 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.320 -12.915 1.881 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.123 -11.381 1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.561 -11.470 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.249 -13.183 4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.045 -13.409 2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.252 -11.672 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.699 -11.835 4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.985 -13.532 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.031 -12.263 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.669 -12.902 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.393 -11.258 3.258 1.00 0.00 H new ATOM 1030 N ALA A 68 8.210 -11.619 0.707 1.00 0.00 N ATOM 1031 CA ALA A 68 7.477 -11.244 -0.496 1.00 0.00 C ATOM 1032 C ALA A 68 6.456 -10.151 -0.198 1.00 0.00 C ATOM 1033 O ALA A 68 6.416 -9.123 -0.875 1.00 0.00 O ATOM 1034 CB ALA A 68 6.791 -12.461 -1.097 1.00 0.00 C ATOM 0 H ALA A 68 8.395 -12.618 0.794 1.00 0.00 H new ATOM 0 HA ALA A 68 8.191 -10.850 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.247 -12.166 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.540 -13.210 -1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.094 -12.881 -0.372 1.00 0.00 H new ATOM 1040 N VAL A 69 5.630 -10.380 0.818 1.00 0.00 N ATOM 1041 CA VAL A 69 4.608 -9.415 1.205 1.00 0.00 C ATOM 1042 C VAL A 69 5.227 -8.061 1.533 1.00 0.00 C ATOM 1043 O VAL A 69 4.765 -7.025 1.056 1.00 0.00 O ATOM 1044 CB VAL A 69 3.804 -9.908 2.423 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.640 -8.972 2.708 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.312 -11.330 2.196 1.00 0.00 C ATOM 0 H VAL A 69 5.649 -11.226 1.388 1.00 0.00 H new ATOM 0 HA VAL A 69 3.935 -9.307 0.354 1.00 0.00 H new ATOM 0 HB VAL A 69 4.460 -9.909 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.083 -9.336 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.020 -7.972 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.981 -8.936 1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.746 -11.662 3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.671 -11.357 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.166 -11.991 2.044 1.00 0.00 H new ATOM 1056 N GLU A 70 6.276 -8.078 2.350 1.00 0.00 N ATOM 1057 CA GLU A 70 6.958 -6.851 2.742 1.00 0.00 C ATOM 1058 C GLU A 70 7.361 -6.037 1.515 1.00 0.00 C ATOM 1059 O GLU A 70 7.110 -4.835 1.445 1.00 0.00 O ATOM 1060 CB GLU A 70 8.196 -7.174 3.582 1.00 0.00 C ATOM 1061 CG GLU A 70 7.902 -7.323 5.065 1.00 0.00 C ATOM 1062 CD GLU A 70 9.123 -7.075 5.929 1.00 0.00 C ATOM 1063 OE1 GLU A 70 10.200 -7.619 5.604 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.003 -6.339 6.930 1.00 0.00 O ATOM 0 H GLU A 70 6.671 -8.928 2.753 1.00 0.00 H new ATOM 0 HA GLU A 70 6.267 -6.257 3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.644 -8.097 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.935 -6.384 3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.114 -6.625 5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.523 -8.327 5.257 1.00 0.00 H new ATOM 1071 N ASN A 71 7.989 -6.703 0.551 1.00 0.00 N ATOM 1072 CA ASN A 71 8.428 -6.042 -0.673 1.00 0.00 C ATOM 1073 C ASN A 71 7.233 -5.579 -1.500 1.00 0.00 C ATOM 1074 O ASN A 71 7.248 -4.491 -2.077 1.00 0.00 O ATOM 1075 CB ASN A 71 9.301 -6.986 -1.502 1.00 0.00 C ATOM 1076 CG ASN A 71 9.818 -6.333 -2.769 1.00 0.00 C ATOM 1077 OD1 ASN A 71 10.711 -5.487 -2.725 1.00 0.00 O ATOM 1078 ND2 ASN A 71 9.256 -6.724 -3.907 1.00 0.00 N ATOM 0 H ASN A 71 8.205 -7.699 0.594 1.00 0.00 H new ATOM 0 HA ASN A 71 9.015 -5.167 -0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.145 -7.320 -0.898 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.725 -7.874 -1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.562 -6.320 -4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.519 -7.429 -3.896 1.00 0.00 H new ATOM 1085 N TYR A 72 6.199 -6.411 -1.553 1.00 0.00 N ATOM 1086 CA TYR A 72 4.996 -6.088 -2.311 1.00 0.00 C ATOM 1087 C TYR A 72 4.433 -4.735 -1.889 1.00 0.00 C ATOM 1088 O TYR A 72 4.254 -3.839 -2.715 1.00 0.00 O ATOM 1089 CB TYR A 72 3.939 -7.177 -2.117 1.00 0.00 C ATOM 1090 CG TYR A 72 2.651 -6.909 -2.863 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.640 -6.780 -4.246 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.445 -6.786 -2.184 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.465 -6.534 -4.931 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.265 -6.542 -2.861 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.281 -6.417 -4.234 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.891 -6.174 -4.913 1.00 0.00 O ATOM 0 H TYR A 72 6.170 -7.314 -1.080 1.00 0.00 H new ATOM 0 HA TYR A 72 5.265 -6.035 -3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.348 -8.132 -2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.720 -7.274 -1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.565 -6.873 -4.795 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.429 -6.883 -1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.474 -6.434 -6.006 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.664 -6.450 -2.318 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.132 -5.228 -4.822 1.00 0.00 H new ATOM 1106 N LEU A 73 4.156 -4.594 -0.598 1.00 0.00 N ATOM 1107 CA LEU A 73 3.614 -3.350 -0.063 1.00 0.00 C ATOM 1108 C LEU A 73 4.445 -2.154 -0.516 1.00 0.00 C ATOM 1109 O LEU A 73 3.955 -1.279 -1.230 1.00 0.00 O ATOM 1110 CB LEU A 73 3.569 -3.405 1.465 1.00 0.00 C ATOM 1111 CG LEU A 73 2.433 -4.229 2.074 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.529 -4.230 3.592 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.083 -3.690 1.623 1.00 0.00 C ATOM 0 H LEU A 73 4.298 -5.326 0.098 1.00 0.00 H new ATOM 0 HA LEU A 73 2.600 -3.230 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.516 -3.809 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.495 -2.385 1.843 1.00 0.00 H new ATOM 0 HG LEU A 73 2.527 -5.257 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.713 -4.821 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.482 -4.663 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.461 -3.207 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.286 -4.288 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.980 -2.653 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.015 -3.742 0.536 1.00 0.00 H new ATOM 1125 N ILE A 74 5.706 -2.125 -0.097 1.00 0.00 N ATOM 1126 CA ILE A 74 6.607 -1.038 -0.463 1.00 0.00 C ATOM 1127 C ILE A 74 6.329 -0.548 -1.880 1.00 0.00 C ATOM 1128 O ILE A 74 5.901 0.588 -2.080 1.00 0.00 O ATOM 1129 CB ILE A 74 8.081 -1.471 -0.361 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.487 -1.636 1.105 1.00 0.00 C ATOM 1131 CG2 ILE A 74 8.980 -0.457 -1.053 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.560 -2.680 1.321 1.00 0.00 C ATOM 0 H ILE A 74 6.127 -2.841 0.495 1.00 0.00 H new ATOM 0 HA ILE A 74 6.426 -0.226 0.242 1.00 0.00 H new ATOM 0 HB ILE A 74 8.197 -2.432 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.842 -0.678 1.485 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.607 -1.905 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.019 -0.777 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.704 -0.384 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.863 0.517 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.798 -2.743 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.201 -3.648 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.455 -2.402 0.765 1.00 0.00 H new ATOM 1144 N GLN A 75 6.575 -1.413 -2.859 1.00 0.00 N ATOM 1145 CA GLN A 75 6.351 -1.067 -4.257 1.00 0.00 C ATOM 1146 C GLN A 75 5.058 -0.275 -4.421 1.00 0.00 C ATOM 1147 O GLN A 75 5.047 0.794 -5.031 1.00 0.00 O ATOM 1148 CB GLN A 75 6.300 -2.332 -5.115 1.00 0.00 C ATOM 1149 CG GLN A 75 7.581 -3.149 -5.072 1.00 0.00 C ATOM 1150 CD GLN A 75 7.576 -4.297 -6.061 1.00 0.00 C ATOM 1151 OE1 GLN A 75 6.527 -4.678 -6.582 1.00 0.00 O ATOM 1152 NE2 GLN A 75 8.751 -4.856 -6.327 1.00 0.00 N ATOM 0 H GLN A 75 6.929 -2.358 -2.709 1.00 0.00 H new ATOM 0 HA GLN A 75 7.182 -0.444 -4.589 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.470 -2.955 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.092 -2.052 -6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.430 -2.498 -5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.722 -3.543 -4.065 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.596 -4.509 -5.873 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.809 -5.633 -6.986 1.00 0.00 H new ATOM 1161 N MET A 76 3.970 -0.807 -3.874 1.00 0.00 N ATOM 1162 CA MET A 76 2.672 -0.148 -3.959 1.00 0.00 C ATOM 1163 C MET A 76 2.717 1.230 -3.307 1.00 0.00 C ATOM 1164 O MET A 76 2.010 2.147 -3.723 1.00 0.00 O ATOM 1165 CB MET A 76 1.596 -1.006 -3.291 1.00 0.00 C ATOM 1166 CG MET A 76 1.442 -2.383 -3.915 1.00 0.00 C ATOM 1167 SD MET A 76 -0.210 -3.070 -3.685 1.00 0.00 S ATOM 1168 CE MET A 76 -0.375 -2.964 -1.904 1.00 0.00 C ATOM 0 H MET A 76 3.961 -1.692 -3.367 1.00 0.00 H new ATOM 0 HA MET A 76 2.425 -0.023 -5.013 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.838 -1.120 -2.234 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.641 -0.483 -3.344 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.660 -2.321 -4.981 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.177 -3.060 -3.478 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.388 -2.652 -1.650 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.174 -3.940 -1.461 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.337 -2.236 -1.515 1.00 0.00 H new ATOM 1178 N ALA A 77 3.554 1.368 -2.283 1.00 0.00 N ATOM 1179 CA ALA A 77 3.692 2.635 -1.576 1.00 0.00 C ATOM 1180 C ALA A 77 4.416 3.667 -2.434 1.00 0.00 C ATOM 1181 O ALA A 77 3.901 4.759 -2.674 1.00 0.00 O ATOM 1182 CB ALA A 77 4.430 2.427 -0.261 1.00 0.00 C ATOM 0 H ALA A 77 4.146 0.618 -1.925 1.00 0.00 H new ATOM 0 HA ALA A 77 2.693 3.015 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.526 3.381 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.871 1.730 0.363 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.422 2.021 -0.461 1.00 0.00 H new ATOM 1188 N ARG A 78 5.612 3.314 -2.893 1.00 0.00 N ATOM 1189 CA ARG A 78 6.407 4.211 -3.723 1.00 0.00 C ATOM 1190 C ARG A 78 5.563 4.803 -4.847 1.00 0.00 C ATOM 1191 O ARG A 78 5.569 6.013 -5.072 1.00 0.00 O ATOM 1192 CB ARG A 78 7.608 3.467 -4.309 1.00 0.00 C ATOM 1193 CG ARG A 78 8.761 3.304 -3.332 1.00 0.00 C ATOM 1194 CD ARG A 78 9.745 2.245 -3.802 1.00 0.00 C ATOM 1195 NE ARG A 78 11.039 2.366 -3.136 1.00 0.00 N ATOM 1196 CZ ARG A 78 12.037 1.506 -3.308 1.00 0.00 C ATOM 1197 NH1 ARG A 78 11.890 0.468 -4.120 1.00 0.00 N ATOM 1198 NH2 ARG A 78 13.185 1.684 -2.666 1.00 0.00 N ATOM 0 H ARG A 78 6.052 2.413 -2.704 1.00 0.00 H new ATOM 0 HA ARG A 78 6.765 5.026 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.285 2.481 -4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.962 4.003 -5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.278 4.256 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.372 3.031 -2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.330 1.255 -3.612 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.883 2.331 -4.880 1.00 0.00 H new ATOM 0 HE ARG A 78 11.185 3.154 -2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.009 0.328 -4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.658 -0.191 -4.250 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.301 2.481 -2.040 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.951 1.024 -2.798 1.00 0.00 H new ATOM 1212 N TYR A 79 4.838 3.941 -5.551 1.00 0.00 N ATOM 1213 CA TYR A 79 3.990 4.377 -6.655 1.00 0.00 C ATOM 1214 C TYR A 79 2.884 5.304 -6.159 1.00 0.00 C ATOM 1215 O TYR A 79 2.661 6.377 -6.717 1.00 0.00 O ATOM 1216 CB TYR A 79 3.377 3.168 -7.364 1.00 0.00 C ATOM 1217 CG TYR A 79 4.328 2.480 -8.317 1.00 0.00 C ATOM 1218 CD1 TYR A 79 5.576 2.044 -7.891 1.00 0.00 C ATOM 1219 CD2 TYR A 79 3.977 2.264 -9.645 1.00 0.00 C ATOM 1220 CE1 TYR A 79 6.448 1.415 -8.759 1.00 0.00 C ATOM 1221 CE2 TYR A 79 4.841 1.635 -10.519 1.00 0.00 C ATOM 1222 CZ TYR A 79 6.076 1.213 -10.072 1.00 0.00 C ATOM 1223 OH TYR A 79 6.941 0.586 -10.940 1.00 0.00 O ATOM 0 H TYR A 79 4.820 2.936 -5.377 1.00 0.00 H new ATOM 0 HA TYR A 79 4.612 4.927 -7.361 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.042 2.449 -6.616 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.493 3.490 -7.915 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.870 2.199 -6.863 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.012 2.594 -9.999 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.415 1.083 -8.411 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.552 1.474 -11.547 1.00 0.00 H new ATOM 0 HH TYR A 79 6.526 0.521 -11.825 1.00 0.00 H new ATOM 1233 N GLY A 80 2.194 4.880 -5.104 1.00 0.00 N ATOM 1234 CA GLY A 80 1.121 5.683 -4.549 1.00 0.00 C ATOM 1235 C GLY A 80 -0.240 5.043 -4.739 1.00 0.00 C ATOM 1236 O GLY A 80 -1.218 5.726 -5.041 1.00 0.00 O ATOM 0 H GLY A 80 2.359 3.995 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.301 5.839 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.126 6.666 -5.020 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.302 3.727 -4.564 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.553 2.994 -4.721 1.00 0.00 C ATOM 1242 C GLN A 81 -2.285 2.874 -3.388 1.00 0.00 C ATOM 1243 O GLN A 81 -3.506 3.017 -3.322 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.285 1.602 -5.296 1.00 0.00 C ATOM 1245 CG GLN A 81 -0.659 1.627 -6.681 1.00 0.00 C ATOM 1246 CD GLN A 81 -1.676 1.877 -7.777 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -2.162 0.942 -8.414 1.00 0.00 O ATOM 1248 NE2 GLN A 81 -2.005 3.144 -8.002 1.00 0.00 N ATOM 0 H GLN A 81 0.499 3.147 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.185 3.550 -5.413 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.627 1.059 -4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.223 1.049 -5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 81 0.105 2.403 -6.716 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.157 0.677 -6.866 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.577 3.888 -7.450 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.685 3.373 -8.727 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.530 2.610 -2.327 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.107 2.470 -0.994 1.00 0.00 C ATOM 1259 C LEU A 82 -2.666 3.800 -0.500 1.00 0.00 C ATOM 1260 O LEU A 82 -1.956 4.592 0.120 1.00 0.00 O ATOM 1261 CB LEU A 82 -1.054 1.951 -0.013 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.390 0.623 -0.381 1.00 0.00 C ATOM 1263 CD1 LEU A 82 0.932 0.465 0.354 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.319 -0.542 -0.069 1.00 0.00 C ATOM 0 H LEU A 82 -0.518 2.489 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.925 1.752 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.276 2.708 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.521 1.842 0.966 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.188 0.624 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.390 -0.485 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.600 1.282 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.755 0.485 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.830 -1.479 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.552 -0.546 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.240 -0.436 -0.642 1.00 0.00 H new ATOM 1276 N SER A 83 -3.944 4.038 -0.777 1.00 0.00 N ATOM 1277 CA SER A 83 -4.599 5.273 -0.362 1.00 0.00 C ATOM 1278 C SER A 83 -4.562 5.424 1.155 1.00 0.00 C ATOM 1279 O SER A 83 -4.102 6.440 1.677 1.00 0.00 O ATOM 1280 CB SER A 83 -6.048 5.297 -0.854 1.00 0.00 C ATOM 1281 OG SER A 83 -6.118 5.680 -2.216 1.00 0.00 O ATOM 0 H SER A 83 -4.546 3.392 -1.287 1.00 0.00 H new ATOM 0 HA SER A 83 -4.059 6.109 -0.806 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.495 4.311 -0.727 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.630 5.991 -0.247 1.00 0.00 H new ATOM 0 HG SER A 83 -7.054 5.686 -2.506 1.00 0.00 H new ATOM 1287 N GLU A 84 -5.050 4.407 1.857 1.00 0.00 N ATOM 1288 CA GLU A 84 -5.074 4.427 3.315 1.00 0.00 C ATOM 1289 C GLU A 84 -4.389 3.189 3.888 1.00 0.00 C ATOM 1290 O GLU A 84 -4.144 2.215 3.175 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.516 4.506 3.823 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.124 5.894 3.714 1.00 0.00 C ATOM 1293 CD GLU A 84 -6.828 6.757 4.926 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -6.826 6.218 6.052 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -6.599 7.972 4.747 1.00 0.00 O ATOM 0 H GLU A 84 -5.434 3.559 1.440 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.529 5.310 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.130 3.804 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.543 4.187 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.740 6.386 2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.203 5.805 3.591 1.00 0.00 H new ATOM 1302 N LYS A 85 -4.082 3.234 5.180 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.426 2.118 5.850 1.00 0.00 C ATOM 1304 C LYS A 85 -4.202 0.823 5.636 1.00 0.00 C ATOM 1305 O LYS A 85 -5.396 0.844 5.334 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.293 2.403 7.348 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.452 3.629 7.661 1.00 0.00 C ATOM 1308 CD LYS A 85 -2.157 3.737 9.148 1.00 0.00 C ATOM 1309 CE LYS A 85 -1.407 5.019 9.475 1.00 0.00 C ATOM 1310 NZ LYS A 85 -2.335 6.155 9.731 1.00 0.00 N ATOM 0 H LYS A 85 -4.277 4.032 5.784 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.432 2.001 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.287 2.536 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.851 1.535 7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.515 3.580 7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.975 4.525 7.327 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.091 3.708 9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.567 2.878 9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.779 4.859 10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.743 5.272 8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.785 7.010 9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.917 6.325 8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.952 5.925 10.536 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.517 -0.305 5.795 1.00 0.00 N ATOM 1325 CA VAL A 86 -4.143 -1.611 5.621 1.00 0.00 C ATOM 1326 C VAL A 86 -4.344 -2.307 6.962 1.00 0.00 C ATOM 1327 O VAL A 86 -3.400 -2.473 7.735 1.00 0.00 O ATOM 1328 CB VAL A 86 -3.301 -2.519 4.705 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.939 -3.895 4.585 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -3.130 -1.881 3.334 1.00 0.00 C ATOM 0 H VAL A 86 -2.529 -0.341 6.044 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.113 -1.438 5.156 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.314 -2.640 5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.330 -4.523 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.005 -4.353 5.572 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.939 -3.797 4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.533 -2.536 2.700 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.109 -1.729 2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.626 -0.920 3.440 1.00 0.00 H new ATOM 1340 N SER A 87 -5.580 -2.713 7.233 1.00 0.00 N ATOM 1341 CA SER A 87 -5.906 -3.389 8.483 1.00 0.00 C ATOM 1342 C SER A 87 -5.713 -4.896 8.352 1.00 0.00 C ATOM 1343 O SER A 87 -5.569 -5.420 7.248 1.00 0.00 O ATOM 1344 CB SER A 87 -7.348 -3.081 8.893 1.00 0.00 C ATOM 1345 OG SER A 87 -7.415 -1.903 9.677 1.00 0.00 O ATOM 0 H SER A 87 -6.372 -2.586 6.604 1.00 0.00 H new ATOM 0 HA SER A 87 -5.230 -3.020 9.254 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.965 -2.964 8.002 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.756 -3.920 9.456 1.00 0.00 H new ATOM 0 HG SER A 87 -8.347 -1.727 9.924 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.711 -5.587 9.488 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.535 -7.035 9.500 1.00 0.00 C ATOM 1353 C GLU A 88 -6.181 -7.672 8.273 1.00 0.00 C ATOM 1354 O GLU A 88 -5.531 -8.403 7.527 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.135 -7.633 10.774 1.00 0.00 C ATOM 1356 CG GLU A 88 -5.460 -8.920 11.219 1.00 0.00 C ATOM 1357 CD GLU A 88 -5.733 -10.077 10.278 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -6.914 -10.458 10.134 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -4.767 -10.602 9.686 1.00 0.00 O ATOM 0 H GLU A 88 -5.829 -5.168 10.411 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.466 -7.246 9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.065 -6.900 11.577 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.195 -7.826 10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.384 -8.757 11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.806 -9.180 12.219 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.464 -7.389 8.072 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.198 -7.935 6.937 1.00 0.00 C ATOM 1368 C GLN A 89 -7.447 -7.686 5.633 1.00 0.00 C ATOM 1369 O GLN A 89 -6.991 -8.623 4.979 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.595 -7.317 6.861 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.610 -7.995 7.767 1.00 0.00 C ATOM 1372 CD GLN A 89 -10.776 -9.470 7.456 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -10.238 -10.328 8.156 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -11.525 -9.772 6.402 1.00 0.00 N ATOM 0 H GLN A 89 -8.016 -6.785 8.680 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.292 -9.011 7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.531 -6.262 7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.949 -7.366 5.831 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.299 -7.879 8.805 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -11.573 -7.495 7.665 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.952 -9.028 5.850 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.673 -10.748 6.145 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.323 -6.416 5.260 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.627 -6.067 4.035 1.00 0.00 C ATOM 1385 C GLY A 90 -5.347 -6.858 3.850 1.00 0.00 C ATOM 1386 O GLY A 90 -5.078 -7.372 2.764 1.00 0.00 O ATOM 0 H GLY A 90 -7.692 -5.623 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.285 -6.243 3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.394 -5.002 4.044 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.555 -6.955 4.912 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.294 -7.688 4.861 1.00 0.00 C ATOM 1392 C LEU A 91 -3.512 -9.113 4.363 1.00 0.00 C ATOM 1393 O LEU A 91 -3.113 -9.459 3.251 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.641 -7.714 6.244 1.00 0.00 C ATOM 1395 CG LEU A 91 -1.238 -8.319 6.313 1.00 0.00 C ATOM 1396 CD1 LEU A 91 -0.182 -7.238 6.145 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -1.041 -9.060 7.627 1.00 0.00 C ATOM 0 H LEU A 91 -4.763 -6.536 5.818 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.632 -7.176 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.593 -6.692 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.289 -8.272 6.919 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.130 -9.033 5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.810 -7.687 6.197 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.310 -6.752 5.178 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.288 -6.499 6.940 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.037 -9.484 7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.168 -8.367 8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.776 -9.861 7.707 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.150 -9.933 5.191 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.424 -11.319 4.832 1.00 0.00 C ATOM 1411 C ILE A 92 -4.825 -11.438 3.366 1.00 0.00 C ATOM 1412 O ILE A 92 -4.476 -12.408 2.694 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.541 -11.917 5.709 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.122 -11.911 7.180 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -5.873 -13.329 5.252 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.237 -12.296 8.127 1.00 0.00 C ATOM 0 H ILE A 92 -4.487 -9.662 6.115 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.503 -11.877 5.000 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.435 -11.303 5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.288 -12.600 7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.760 -10.917 7.442 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.664 -13.738 5.881 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.209 -13.306 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.985 -13.956 5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.868 -12.270 9.152 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.063 -11.593 8.021 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.584 -13.302 7.891 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.560 -10.444 2.876 1.00 0.00 N ATOM 1429 CA GLU A 93 -6.007 -10.438 1.488 1.00 0.00 C ATOM 1430 C GLU A 93 -4.832 -10.227 0.538 1.00 0.00 C ATOM 1431 O GLU A 93 -4.766 -10.837 -0.529 1.00 0.00 O ATOM 1432 CB GLU A 93 -7.055 -9.344 1.272 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.431 -9.704 1.806 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.541 -8.917 1.136 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -9.271 -7.792 0.666 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -10.679 -9.428 1.082 1.00 0.00 O ATOM 0 H GLU A 93 -5.858 -9.634 3.419 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.455 -11.408 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.716 -8.428 1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.133 -9.133 0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.606 -10.770 1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.459 -9.522 2.880 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.907 -9.360 0.935 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.734 -9.069 0.120 1.00 0.00 C ATOM 1445 C ILE A 94 -1.872 -10.312 -0.067 1.00 0.00 C ATOM 1446 O ILE A 94 -1.433 -10.616 -1.177 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.877 -7.952 0.745 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.627 -6.620 0.706 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.544 -7.838 0.020 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -1.952 -5.522 1.499 1.00 0.00 C ATOM 0 H ILE A 94 -3.947 -8.847 1.816 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.100 -8.735 -0.851 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.681 -8.205 1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.727 -6.299 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.635 -6.769 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.050 -7.044 0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.006 -8.783 0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.720 -7.605 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.539 -4.607 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.876 -5.822 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.954 -5.345 1.099 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.634 -11.030 1.026 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.826 -12.244 0.983 1.00 0.00 C ATOM 1464 C LEU A 95 -1.434 -13.270 0.033 1.00 0.00 C ATOM 1465 O LEU A 95 -0.754 -14.188 -0.425 1.00 0.00 O ATOM 1466 CB LEU A 95 -0.696 -12.843 2.385 1.00 0.00 C ATOM 1467 CG LEU A 95 0.009 -11.972 3.425 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -0.989 -11.060 4.122 1.00 0.00 C ATOM 1469 CD2 LEU A 95 0.741 -12.839 4.439 1.00 0.00 C ATOM 0 H LEU A 95 -1.989 -10.792 1.952 1.00 0.00 H new ATOM 0 HA LEU A 95 0.165 -11.979 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.695 -13.076 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.157 -13.787 2.306 1.00 0.00 H new ATOM 0 HG LEU A 95 0.743 -11.350 2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.469 -10.448 4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.467 -10.414 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.746 -11.664 4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.237 -12.202 5.171 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.027 -13.487 4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.484 -13.449 3.926 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.719 -13.107 -0.262 1.00 0.00 N ATOM 1482 CA LYS A 96 -3.420 -14.017 -1.160 1.00 0.00 C ATOM 1483 C LYS A 96 -3.214 -13.609 -2.616 1.00 0.00 C ATOM 1484 O LYS A 96 -3.597 -14.334 -3.535 1.00 0.00 O ATOM 1485 CB LYS A 96 -4.914 -14.040 -0.832 1.00 0.00 C ATOM 1486 CG LYS A 96 -5.240 -14.745 0.473 1.00 0.00 C ATOM 1487 CD LYS A 96 -6.739 -14.816 0.710 1.00 0.00 C ATOM 1488 CE LYS A 96 -7.069 -14.841 2.194 1.00 0.00 C ATOM 1489 NZ LYS A 96 -8.349 -15.551 2.467 1.00 0.00 N ATOM 0 H LYS A 96 -3.297 -12.352 0.108 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.009 -15.016 -1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.282 -13.015 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.448 -14.533 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.825 -15.753 0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.765 -14.218 1.301 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.223 -13.958 0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.142 -15.709 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.260 -15.329 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.134 -13.819 2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.538 -15.546 3.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.126 -15.070 1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.279 -16.533 2.133 1.00 0.00 H new ATOM 1503 N LYS A 97 -2.607 -12.445 -2.819 1.00 0.00 N ATOM 1504 CA LYS A 97 -2.347 -11.941 -4.163 1.00 0.00 C ATOM 1505 C LYS A 97 -0.879 -12.119 -4.536 1.00 0.00 C ATOM 1506 O LYS A 97 -0.559 -12.588 -5.629 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.733 -10.464 -4.259 1.00 0.00 C ATOM 1508 CG LYS A 97 -4.206 -10.202 -3.998 1.00 0.00 C ATOM 1509 CD LYS A 97 -4.588 -8.771 -4.341 1.00 0.00 C ATOM 1510 CE LYS A 97 -6.090 -8.555 -4.240 1.00 0.00 C ATOM 1511 NZ LYS A 97 -6.592 -8.786 -2.857 1.00 0.00 N ATOM 0 H LYS A 97 -2.285 -11.832 -2.070 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.954 -12.515 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.139 -9.895 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.477 -10.094 -5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.809 -10.892 -4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.431 -10.398 -2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.075 -8.085 -3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.253 -8.536 -5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.332 -7.538 -4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.601 -9.228 -4.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.595 -8.515 -2.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.491 -9.792 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.041 -8.212 -2.187 1.00 0.00 H new ATOM 1525 N VAL A 98 0.010 -11.744 -3.622 1.00 0.00 N ATOM 1526 CA VAL A 98 1.444 -11.865 -3.855 1.00 0.00 C ATOM 1527 C VAL A 98 1.847 -13.321 -4.057 1.00 0.00 C ATOM 1528 O VAL A 98 2.958 -13.613 -4.499 1.00 0.00 O ATOM 1529 CB VAL A 98 2.254 -11.278 -2.683 1.00 0.00 C ATOM 1530 CG1 VAL A 98 1.848 -11.933 -1.372 1.00 0.00 C ATOM 1531 CG2 VAL A 98 3.745 -11.444 -2.932 1.00 0.00 C ATOM 0 H VAL A 98 -0.238 -11.354 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 98 1.666 -11.300 -4.760 1.00 0.00 H new ATOM 0 HB VAL A 98 2.037 -10.212 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.431 -11.506 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.787 -11.758 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.034 -13.005 -1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.303 -11.024 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.982 -12.503 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.021 -10.924 -3.849 1.00 0.00 H new