USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=13 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 72 TYR OH : rot -94:sc= 0.235 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 161:sc=-0.00596 (180deg=-0.436) USER MOD Single : A 38 MET CE :methyl -176:sc= 0 (180deg=-0.0126) USER MOD Single : A 40 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.3!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.74! X(o=-2.7!,f=-2.3) 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= -0.505 K(o=-0.51,f=-1.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= -5.61! (180deg=-5.95!) USER MOD Single : A 66 THR OG1 : rot 87:sc= -2.39! 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=-0.58) USER MOD Single : A 75 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 76 MET CE :methyl 173:sc= -1.66 (180deg=-1.97) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.791 X(o=-0.79,f=-0.4) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0108) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0719 K(o=-0.072,f=-1.4) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 524 N GLU A 37 16.168 0.990 7.240 1.00 0.00 N ATOM 525 CA GLU A 37 15.527 1.988 8.089 1.00 0.00 C ATOM 526 C GLU A 37 14.367 2.658 7.359 1.00 0.00 C ATOM 527 O GLU A 37 13.294 2.857 7.929 1.00 0.00 O ATOM 528 CB GLU A 37 16.543 3.042 8.531 1.00 0.00 C ATOM 529 CG GLU A 37 17.687 2.477 9.356 1.00 0.00 C ATOM 530 CD GLU A 37 17.206 1.709 10.572 1.00 0.00 C ATOM 531 OE1 GLU A 37 16.660 2.346 11.497 1.00 0.00 O ATOM 532 OE2 GLU A 37 17.376 0.473 10.599 1.00 0.00 O ATOM 0 HA GLU A 37 15.135 1.481 8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.951 3.534 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.030 3.807 9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.290 1.819 8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 37 18.335 3.292 9.679 1.00 0.00 H new ATOM 539 N MET A 38 14.591 3.005 6.096 1.00 0.00 N ATOM 540 CA MET A 38 13.564 3.652 5.288 1.00 0.00 C ATOM 541 C MET A 38 12.378 2.719 5.066 1.00 0.00 C ATOM 542 O MET A 38 11.225 3.113 5.239 1.00 0.00 O ATOM 543 CB MET A 38 14.144 4.088 3.941 1.00 0.00 C ATOM 544 CG MET A 38 14.770 2.950 3.152 1.00 0.00 C ATOM 545 SD MET A 38 15.836 3.533 1.820 1.00 0.00 S ATOM 546 CE MET A 38 14.631 4.273 0.721 1.00 0.00 C ATOM 0 H MET A 38 15.474 2.849 5.610 1.00 0.00 H new ATOM 0 HA MET A 38 13.215 4.532 5.827 1.00 0.00 H new ATOM 0 HB2 MET A 38 13.353 4.541 3.344 1.00 0.00 H new ATOM 0 HB3 MET A 38 14.896 4.858 4.111 1.00 0.00 H new ATOM 0 HG2 MET A 38 15.350 2.321 3.827 1.00 0.00 H new ATOM 0 HG3 MET A 38 13.981 2.326 2.734 1.00 0.00 H new ATOM 0 HE1 MET A 38 15.128 4.616 -0.186 1.00 0.00 H new ATOM 0 HE2 MET A 38 13.873 3.534 0.462 1.00 0.00 H new ATOM 0 HE3 MET A 38 14.157 5.120 1.218 1.00 0.00 H new ATOM 556 N ARG A 39 12.669 1.480 4.681 1.00 0.00 N ATOM 557 CA ARG A 39 11.627 0.492 4.434 1.00 0.00 C ATOM 558 C ARG A 39 10.726 0.335 5.655 1.00 0.00 C ATOM 559 O ARG A 39 9.501 0.312 5.537 1.00 0.00 O ATOM 560 CB ARG A 39 12.249 -0.857 4.070 1.00 0.00 C ATOM 561 CG ARG A 39 12.963 -1.532 5.230 1.00 0.00 C ATOM 562 CD ARG A 39 13.655 -2.812 4.789 1.00 0.00 C ATOM 563 NE ARG A 39 12.724 -3.753 4.171 1.00 0.00 N ATOM 564 CZ ARG A 39 13.044 -5.003 3.856 1.00 0.00 C ATOM 565 NH1 ARG A 39 14.264 -5.460 4.100 1.00 0.00 N ATOM 566 NH2 ARG A 39 12.142 -5.798 3.295 1.00 0.00 N ATOM 0 H ARG A 39 13.618 1.137 4.534 1.00 0.00 H new ATOM 0 HA ARG A 39 11.021 0.842 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.467 -1.520 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.957 -0.713 3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.698 -0.848 5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.245 -1.758 6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 39 14.448 -2.570 4.082 1.00 0.00 H new ATOM 0 HD3 ARG A 39 14.128 -3.283 5.650 1.00 0.00 H new ATOM 0 HE ARG A 39 11.777 -3.433 3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.960 -4.851 4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.507 -6.420 3.857 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.202 -5.449 3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.388 -6.758 3.053 1.00 0.00 H new ATOM 580 N ASN A 40 11.341 0.226 6.828 1.00 0.00 N ATOM 581 CA ASN A 40 10.595 0.071 8.072 1.00 0.00 C ATOM 582 C ASN A 40 9.520 1.146 8.199 1.00 0.00 C ATOM 583 O ASN A 40 8.334 0.840 8.328 1.00 0.00 O ATOM 584 CB ASN A 40 11.542 0.136 9.271 1.00 0.00 C ATOM 585 CG ASN A 40 12.080 -1.228 9.658 1.00 0.00 C ATOM 586 OD1 ASN A 40 11.686 -2.247 9.090 1.00 0.00 O ATOM 587 ND2 ASN A 40 12.984 -1.254 10.630 1.00 0.00 N ATOM 0 H ASN A 40 12.354 0.242 6.943 1.00 0.00 H new ATOM 0 HA ASN A 40 10.108 -0.904 8.055 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.375 0.799 9.037 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.017 0.571 10.122 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.381 -2.143 10.934 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.282 -0.385 11.073 1.00 0.00 H new ATOM 594 N SER A 41 9.943 2.405 8.162 1.00 0.00 N ATOM 595 CA SER A 41 9.017 3.526 8.276 1.00 0.00 C ATOM 596 C SER A 41 7.939 3.453 7.199 1.00 0.00 C ATOM 597 O SER A 41 6.836 3.972 7.374 1.00 0.00 O ATOM 598 CB SER A 41 9.773 4.852 8.168 1.00 0.00 C ATOM 599 OG SER A 41 9.126 5.870 8.912 1.00 0.00 O ATOM 0 H SER A 41 10.921 2.675 8.054 1.00 0.00 H new ATOM 0 HA SER A 41 8.535 3.469 9.252 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.793 4.724 8.532 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.843 5.150 7.122 1.00 0.00 H new ATOM 0 HG SER A 41 9.629 6.707 8.828 1.00 0.00 H new ATOM 605 N ILE A 42 8.266 2.804 6.087 1.00 0.00 N ATOM 606 CA ILE A 42 7.326 2.662 4.982 1.00 0.00 C ATOM 607 C ILE A 42 6.309 1.561 5.264 1.00 0.00 C ATOM 608 O ILE A 42 5.142 1.668 4.887 1.00 0.00 O ATOM 609 CB ILE A 42 8.054 2.347 3.661 1.00 0.00 C ATOM 610 CG1 ILE A 42 9.019 3.479 3.303 1.00 0.00 C ATOM 611 CG2 ILE A 42 7.047 2.127 2.542 1.00 0.00 C ATOM 612 CD1 ILE A 42 10.182 3.032 2.446 1.00 0.00 C ATOM 0 H ILE A 42 9.174 2.368 5.927 1.00 0.00 H new ATOM 0 HA ILE A 42 6.808 3.616 4.883 1.00 0.00 H new ATOM 0 HB ILE A 42 8.631 1.431 3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.470 4.261 2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.404 3.922 4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.576 1.905 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.396 1.291 2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.446 3.027 2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.825 3.886 2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.754 2.272 2.977 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.806 2.616 1.511 1.00 0.00 H new ATOM 624 N LEU A 43 6.760 0.504 5.930 1.00 0.00 N ATOM 625 CA LEU A 43 5.889 -0.617 6.266 1.00 0.00 C ATOM 626 C LEU A 43 5.057 -0.308 7.506 1.00 0.00 C ATOM 627 O LEU A 43 3.922 -0.766 7.634 1.00 0.00 O ATOM 628 CB LEU A 43 6.718 -1.882 6.495 1.00 0.00 C ATOM 629 CG LEU A 43 7.254 -2.571 5.240 1.00 0.00 C ATOM 630 CD1 LEU A 43 8.279 -3.632 5.609 1.00 0.00 C ATOM 631 CD2 LEU A 43 6.113 -3.184 4.440 1.00 0.00 C ATOM 0 H LEU A 43 7.723 0.399 6.248 1.00 0.00 H new ATOM 0 HA LEU A 43 5.211 -0.782 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.563 -1.627 7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.107 -2.598 7.045 1.00 0.00 H new ATOM 0 HG LEU A 43 7.745 -1.822 4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.649 -4.111 4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.110 -3.166 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.814 -4.380 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.513 -3.670 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.593 -3.920 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.415 -2.401 4.143 1.00 0.00 H new ATOM 643 N ALA A 44 5.629 0.473 8.416 1.00 0.00 N ATOM 644 CA ALA A 44 4.939 0.847 9.645 1.00 0.00 C ATOM 645 C ALA A 44 3.879 1.910 9.377 1.00 0.00 C ATOM 646 O ALA A 44 2.930 2.060 10.147 1.00 0.00 O ATOM 647 CB ALA A 44 5.936 1.343 10.681 1.00 0.00 C ATOM 0 H ALA A 44 6.569 0.859 8.326 1.00 0.00 H new ATOM 0 HA ALA A 44 4.438 -0.039 10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.406 1.619 11.593 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.654 0.553 10.903 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.464 2.213 10.291 1.00 0.00 H new ATOM 653 N GLN A 45 4.047 2.644 8.282 1.00 0.00 N ATOM 654 CA GLN A 45 3.104 3.694 7.915 1.00 0.00 C ATOM 655 C GLN A 45 1.971 3.134 7.062 1.00 0.00 C ATOM 656 O GLN A 45 0.831 3.593 7.147 1.00 0.00 O ATOM 657 CB GLN A 45 3.824 4.812 7.158 1.00 0.00 C ATOM 658 CG GLN A 45 4.389 4.373 5.817 1.00 0.00 C ATOM 659 CD GLN A 45 5.095 5.498 5.085 1.00 0.00 C ATOM 660 OE1 GLN A 45 5.214 6.610 5.599 1.00 0.00 O ATOM 661 NE2 GLN A 45 5.566 5.213 3.877 1.00 0.00 N ATOM 0 H GLN A 45 4.827 2.531 7.634 1.00 0.00 H new ATOM 0 HA GLN A 45 2.677 4.101 8.831 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.129 5.637 6.998 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.636 5.194 7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.088 3.551 5.973 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.581 3.990 5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.445 4.277 3.490 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.049 5.930 3.336 1.00 0.00 H new ATOM 670 N VAL A 46 2.291 2.140 6.240 1.00 0.00 N ATOM 671 CA VAL A 46 1.299 1.517 5.371 1.00 0.00 C ATOM 672 C VAL A 46 0.590 0.369 6.082 1.00 0.00 C ATOM 673 O VAL A 46 -0.491 -0.055 5.673 1.00 0.00 O ATOM 674 CB VAL A 46 1.941 0.986 4.076 1.00 0.00 C ATOM 675 CG1 VAL A 46 2.505 2.132 3.250 1.00 0.00 C ATOM 676 CG2 VAL A 46 3.024 -0.033 4.398 1.00 0.00 C ATOM 0 H VAL A 46 3.229 1.749 6.157 1.00 0.00 H new ATOM 0 HA VAL A 46 0.572 2.288 5.117 1.00 0.00 H new ATOM 0 HB VAL A 46 1.170 0.490 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.954 1.737 2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.702 2.822 2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.263 2.659 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.467 -0.398 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.795 0.436 5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.587 -0.868 4.945 1.00 0.00 H new ATOM 686 N LEU A 47 1.206 -0.129 7.148 1.00 0.00 N ATOM 687 CA LEU A 47 0.634 -1.228 7.918 1.00 0.00 C ATOM 688 C LEU A 47 0.299 -0.783 9.338 1.00 0.00 C ATOM 689 O LEU A 47 1.189 -0.453 10.122 1.00 0.00 O ATOM 690 CB LEU A 47 1.606 -2.409 7.958 1.00 0.00 C ATOM 691 CG LEU A 47 2.137 -2.887 6.606 1.00 0.00 C ATOM 692 CD1 LEU A 47 3.441 -3.649 6.784 1.00 0.00 C ATOM 693 CD2 LEU A 47 1.102 -3.755 5.904 1.00 0.00 C ATOM 0 H LEU A 47 2.101 0.211 7.499 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.288 -1.540 7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.456 -2.133 8.583 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.109 -3.247 8.447 1.00 0.00 H new ATOM 0 HG LEU A 47 2.332 -2.013 5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.804 -3.981 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.183 -2.997 7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.272 -4.515 7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.496 -4.086 4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.876 -4.623 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.192 -3.177 5.743 1.00 0.00 H new ATOM 705 N ASP A 48 -0.989 -0.778 9.662 1.00 0.00 N ATOM 706 CA ASP A 48 -1.442 -0.376 10.989 1.00 0.00 C ATOM 707 C ASP A 48 -0.965 -1.365 12.048 1.00 0.00 C ATOM 708 O ASP A 48 -0.683 -2.524 11.746 1.00 0.00 O ATOM 709 CB ASP A 48 -2.968 -0.272 11.020 1.00 0.00 C ATOM 710 CG ASP A 48 -3.457 0.747 12.031 1.00 0.00 C ATOM 711 OD1 ASP A 48 -2.668 1.639 12.405 1.00 0.00 O ATOM 712 OD2 ASP A 48 -4.631 0.651 12.448 1.00 0.00 O ATOM 0 H ASP A 48 -1.738 -1.048 9.024 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.015 0.602 11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.331 0.000 10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.391 -1.248 11.258 1.00 0.00 H new ATOM 717 N GLN A 49 -0.878 -0.898 13.289 1.00 0.00 N ATOM 718 CA GLN A 49 -0.434 -1.741 14.393 1.00 0.00 C ATOM 719 C GLN A 49 -1.071 -3.125 14.311 1.00 0.00 C ATOM 720 O GLN A 49 -0.475 -4.119 14.726 1.00 0.00 O ATOM 721 CB GLN A 49 -0.777 -1.087 15.732 1.00 0.00 C ATOM 722 CG GLN A 49 0.084 -1.576 16.886 1.00 0.00 C ATOM 723 CD GLN A 49 -0.605 -1.437 18.229 1.00 0.00 C ATOM 724 OE1 GLN A 49 -0.668 -0.347 18.797 1.00 0.00 O ATOM 725 NE2 GLN A 49 -1.128 -2.544 18.744 1.00 0.00 N ATOM 0 H GLN A 49 -1.109 0.059 13.555 1.00 0.00 H new ATOM 0 HA GLN A 49 0.648 -1.854 14.319 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.665 -0.007 15.639 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.824 -1.280 15.964 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.344 -2.622 16.722 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.018 -1.014 16.901 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.053 -3.427 18.239 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.605 -2.511 19.645 1.00 0.00 H new ATOM 734 N SER A 50 -2.286 -3.180 13.775 1.00 0.00 N ATOM 735 CA SER A 50 -3.006 -4.442 13.643 1.00 0.00 C ATOM 736 C SER A 50 -2.351 -5.334 12.593 1.00 0.00 C ATOM 737 O SER A 50 -1.895 -6.436 12.897 1.00 0.00 O ATOM 738 CB SER A 50 -4.467 -4.183 13.268 1.00 0.00 C ATOM 739 OG SER A 50 -5.237 -3.861 14.413 1.00 0.00 O ATOM 0 H SER A 50 -2.792 -2.367 13.425 1.00 0.00 H new ATOM 0 HA SER A 50 -2.970 -4.955 14.604 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.522 -3.367 12.548 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.883 -5.066 12.782 1.00 0.00 H new ATOM 0 HG SER A 50 -6.166 -3.698 14.147 1.00 0.00 H new ATOM 745 N ALA A 51 -2.308 -4.849 11.356 1.00 0.00 N ATOM 746 CA ALA A 51 -1.708 -5.601 10.261 1.00 0.00 C ATOM 747 C ALA A 51 -0.296 -6.054 10.616 1.00 0.00 C ATOM 748 O ALA A 51 0.134 -7.140 10.226 1.00 0.00 O ATOM 749 CB ALA A 51 -1.691 -4.762 8.992 1.00 0.00 C ATOM 0 H ALA A 51 -2.682 -3.939 11.088 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.315 -6.490 10.088 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.240 -5.336 8.182 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.712 -4.492 8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.109 -3.856 9.162 1.00 0.00 H new ATOM 755 N ARG A 52 0.421 -5.216 11.357 1.00 0.00 N ATOM 756 CA ARG A 52 1.786 -5.530 11.763 1.00 0.00 C ATOM 757 C ARG A 52 1.834 -6.847 12.533 1.00 0.00 C ATOM 758 O ARG A 52 2.541 -7.777 12.147 1.00 0.00 O ATOM 759 CB ARG A 52 2.357 -4.402 12.624 1.00 0.00 C ATOM 760 CG ARG A 52 2.515 -3.087 11.878 1.00 0.00 C ATOM 761 CD ARG A 52 3.851 -3.014 11.155 1.00 0.00 C ATOM 762 NE ARG A 52 4.938 -2.629 12.052 1.00 0.00 N ATOM 763 CZ ARG A 52 6.218 -2.624 11.695 1.00 0.00 C ATOM 764 NH1 ARG A 52 6.569 -2.981 10.467 1.00 0.00 N ATOM 765 NH2 ARG A 52 7.150 -2.261 12.568 1.00 0.00 N ATOM 0 H ARG A 52 0.079 -4.314 11.689 1.00 0.00 H new ATOM 0 HA ARG A 52 2.392 -5.633 10.863 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.705 -4.246 13.483 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.328 -4.709 13.012 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.704 -2.976 11.158 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.434 -2.257 12.580 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.075 -3.983 10.709 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.783 -2.295 10.339 1.00 0.00 H new ATOM 0 HE ARG A 52 4.702 -2.349 13.004 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.856 -3.260 9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.552 -2.976 10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.884 -1.986 13.513 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.132 -2.257 12.293 1.00 0.00 H new ATOM 779 N ALA A 53 1.079 -6.916 13.624 1.00 0.00 N ATOM 780 CA ALA A 53 1.035 -8.118 14.447 1.00 0.00 C ATOM 781 C ALA A 53 0.720 -9.350 13.604 1.00 0.00 C ATOM 782 O ALA A 53 1.316 -10.411 13.791 1.00 0.00 O ATOM 783 CB ALA A 53 0.007 -7.960 15.558 1.00 0.00 C ATOM 0 H ALA A 53 0.490 -6.154 13.958 1.00 0.00 H new ATOM 0 HA ALA A 53 2.019 -8.258 14.894 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.015 -8.865 16.165 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.276 -7.110 16.185 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.978 -7.792 15.122 1.00 0.00 H new ATOM 789 N ARG A 54 -0.220 -9.201 12.677 1.00 0.00 N ATOM 790 CA ARG A 54 -0.615 -10.302 11.806 1.00 0.00 C ATOM 791 C ARG A 54 0.564 -10.778 10.963 1.00 0.00 C ATOM 792 O ARG A 54 0.901 -11.963 10.960 1.00 0.00 O ATOM 793 CB ARG A 54 -1.767 -9.873 10.896 1.00 0.00 C ATOM 794 CG ARG A 54 -2.703 -11.010 10.520 1.00 0.00 C ATOM 795 CD ARG A 54 -1.988 -12.072 9.700 1.00 0.00 C ATOM 796 NE ARG A 54 -2.855 -13.209 9.401 1.00 0.00 N ATOM 797 CZ ARG A 54 -3.284 -14.067 10.320 1.00 0.00 C ATOM 798 NH1 ARG A 54 -2.929 -13.918 11.589 1.00 0.00 N ATOM 799 NH2 ARG A 54 -4.071 -15.077 9.971 1.00 0.00 N ATOM 0 H ARG A 54 -0.722 -8.329 12.509 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.947 -11.128 12.435 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -2.341 -9.091 11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.356 -9.436 9.986 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.111 -11.461 11.425 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.546 -10.616 9.952 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.633 -11.632 8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.109 -12.419 10.244 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.147 -13.352 8.434 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.325 -13.143 11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.260 -14.579 12.292 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.347 -15.195 8.996 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.400 -15.735 10.678 1.00 0.00 H new ATOM 813 N LEU A 55 1.186 -9.848 10.247 1.00 0.00 N ATOM 814 CA LEU A 55 2.327 -10.172 9.399 1.00 0.00 C ATOM 815 C LEU A 55 3.424 -10.865 10.201 1.00 0.00 C ATOM 816 O LEU A 55 3.658 -12.063 10.045 1.00 0.00 O ATOM 817 CB LEU A 55 2.881 -8.903 8.748 1.00 0.00 C ATOM 818 CG LEU A 55 4.052 -9.099 7.784 1.00 0.00 C ATOM 819 CD1 LEU A 55 3.545 -9.383 6.379 1.00 0.00 C ATOM 820 CD2 LEU A 55 4.957 -7.875 7.789 1.00 0.00 C ATOM 0 H LEU A 55 0.919 -8.864 10.237 1.00 0.00 H new ATOM 0 HA LEU A 55 1.986 -10.854 8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.071 -8.412 8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.197 -8.222 9.538 1.00 0.00 H new ATOM 0 HG LEU A 55 4.634 -9.958 8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.392 -9.520 5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.939 -10.289 6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.940 -8.544 6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.785 -8.032 7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.386 -6.999 7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.349 -7.716 8.794 1.00 0.00 H new ATOM 832 N SER A 56 4.091 -10.103 11.063 1.00 0.00 N ATOM 833 CA SER A 56 5.164 -10.644 11.890 1.00 0.00 C ATOM 834 C SER A 56 4.836 -12.062 12.346 1.00 0.00 C ATOM 835 O SER A 56 5.630 -12.984 12.163 1.00 0.00 O ATOM 836 CB SER A 56 5.400 -9.747 13.106 1.00 0.00 C ATOM 837 OG SER A 56 6.407 -10.282 13.947 1.00 0.00 O ATOM 0 H SER A 56 3.907 -9.110 11.207 1.00 0.00 H new ATOM 0 HA SER A 56 6.073 -10.676 11.289 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.690 -8.750 12.775 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.472 -9.639 13.668 1.00 0.00 H new ATOM 0 HG SER A 56 6.540 -9.689 14.716 1.00 0.00 H new ATOM 843 N ASN A 57 3.659 -12.229 12.941 1.00 0.00 N ATOM 844 CA ASN A 57 3.225 -13.534 13.424 1.00 0.00 C ATOM 845 C ASN A 57 3.480 -14.615 12.377 1.00 0.00 C ATOM 846 O ASN A 57 3.935 -15.713 12.700 1.00 0.00 O ATOM 847 CB ASN A 57 1.739 -13.499 13.786 1.00 0.00 C ATOM 848 CG ASN A 57 1.204 -14.866 14.168 1.00 0.00 C ATOM 849 OD1 ASN A 57 1.969 -15.782 14.471 1.00 0.00 O ATOM 850 ND2 ASN A 57 -0.116 -15.010 14.154 1.00 0.00 N ATOM 0 H ASN A 57 2.989 -11.476 13.100 1.00 0.00 H new ATOM 0 HA ASN A 57 3.804 -13.774 14.316 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.586 -12.808 14.615 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.171 -13.113 12.940 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.534 -15.907 14.401 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.712 -14.223 13.896 1.00 0.00 H new ATOM 857 N LEU A 58 3.183 -14.296 11.122 1.00 0.00 N ATOM 858 CA LEU A 58 3.381 -15.238 10.026 1.00 0.00 C ATOM 859 C LEU A 58 4.863 -15.398 9.706 1.00 0.00 C ATOM 860 O LEU A 58 5.360 -16.514 9.558 1.00 0.00 O ATOM 861 CB LEU A 58 2.626 -14.768 8.782 1.00 0.00 C ATOM 862 CG LEU A 58 2.295 -15.847 7.750 1.00 0.00 C ATOM 863 CD1 LEU A 58 1.008 -16.567 8.124 1.00 0.00 C ATOM 864 CD2 LEU A 58 2.183 -15.240 6.359 1.00 0.00 C ATOM 0 H LEU A 58 2.804 -13.392 10.838 1.00 0.00 H new ATOM 0 HA LEU A 58 2.990 -16.207 10.337 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.694 -14.301 9.102 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.218 -13.995 8.293 1.00 0.00 H new ATOM 0 HG LEU A 58 3.106 -16.575 7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.789 -17.331 7.378 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.124 -17.036 9.101 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.188 -15.850 8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.947 -16.023 5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.392 -14.490 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.130 -14.772 6.089 1.00 0.00 H new ATOM 876 N ALA A 59 5.565 -14.274 9.602 1.00 0.00 N ATOM 877 CA ALA A 59 6.992 -14.290 9.304 1.00 0.00 C ATOM 878 C ALA A 59 7.703 -15.393 10.080 1.00 0.00 C ATOM 879 O ALA A 59 8.765 -15.867 9.673 1.00 0.00 O ATOM 880 CB ALA A 59 7.612 -12.937 9.619 1.00 0.00 C ATOM 0 H ALA A 59 5.169 -13.341 9.720 1.00 0.00 H new ATOM 0 HA ALA A 59 7.113 -14.494 8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.678 -12.963 9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.131 -12.167 9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.472 -12.710 10.676 1.00 0.00 H new ATOM 886 N LEU A 60 7.112 -15.798 11.198 1.00 0.00 N ATOM 887 CA LEU A 60 7.690 -16.847 12.032 1.00 0.00 C ATOM 888 C LEU A 60 7.626 -18.199 11.330 1.00 0.00 C ATOM 889 O LEU A 60 8.655 -18.789 11.000 1.00 0.00 O ATOM 890 CB LEU A 60 6.957 -16.920 13.373 1.00 0.00 C ATOM 891 CG LEU A 60 6.991 -15.652 14.227 1.00 0.00 C ATOM 892 CD1 LEU A 60 6.043 -15.780 15.409 1.00 0.00 C ATOM 893 CD2 LEU A 60 8.407 -15.368 14.705 1.00 0.00 C ATOM 0 H LEU A 60 6.233 -15.417 11.548 1.00 0.00 H new ATOM 0 HA LEU A 60 8.737 -16.601 12.209 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.915 -17.177 13.181 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.385 -17.737 13.954 1.00 0.00 H new ATOM 0 HG LEU A 60 6.662 -14.814 13.612 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.080 -14.869 16.006 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.027 -15.934 15.046 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.341 -16.629 16.024 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.412 -14.462 15.311 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.764 -16.206 15.303 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.061 -15.232 13.844 1.00 0.00 H new ATOM 905 N VAL A 61 6.410 -18.684 11.102 1.00 0.00 N ATOM 906 CA VAL A 61 6.211 -19.966 10.435 1.00 0.00 C ATOM 907 C VAL A 61 6.637 -19.896 8.973 1.00 0.00 C ATOM 908 O VAL A 61 7.240 -20.831 8.445 1.00 0.00 O ATOM 909 CB VAL A 61 4.739 -20.414 10.509 1.00 0.00 C ATOM 910 CG1 VAL A 61 3.814 -19.283 10.087 1.00 0.00 C ATOM 911 CG2 VAL A 61 4.514 -21.647 9.646 1.00 0.00 C ATOM 0 H VAL A 61 5.548 -18.209 11.369 1.00 0.00 H new ATOM 0 HA VAL A 61 6.831 -20.695 10.957 1.00 0.00 H new ATOM 0 HB VAL A 61 4.508 -20.674 11.542 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.779 -19.619 10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.957 -18.430 10.750 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.042 -18.989 9.063 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.469 -21.950 9.710 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.762 -21.416 8.610 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.149 -22.459 9.999 1.00 0.00 H new ATOM 921 N LYS A 62 6.320 -18.782 8.322 1.00 0.00 N ATOM 922 CA LYS A 62 6.670 -18.588 6.920 1.00 0.00 C ATOM 923 C LYS A 62 7.427 -17.278 6.725 1.00 0.00 C ATOM 924 O LYS A 62 6.857 -16.254 6.349 1.00 0.00 O ATOM 925 CB LYS A 62 5.410 -18.595 6.052 1.00 0.00 C ATOM 926 CG LYS A 62 4.526 -19.811 6.273 1.00 0.00 C ATOM 927 CD LYS A 62 3.439 -19.909 5.216 1.00 0.00 C ATOM 928 CE LYS A 62 2.297 -20.804 5.673 1.00 0.00 C ATOM 929 NZ LYS A 62 2.649 -22.248 5.570 1.00 0.00 N ATOM 0 H LYS A 62 5.821 -17.999 8.744 1.00 0.00 H new ATOM 0 HA LYS A 62 7.317 -19.411 6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.832 -17.694 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.702 -18.554 5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.136 -20.714 6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.070 -19.756 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.056 -18.913 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.863 -20.301 4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.039 -20.566 6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.413 -20.602 5.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.845 -22.825 5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.870 -22.482 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.477 -22.447 6.166 1.00 0.00 H new ATOM 943 N PRO A 63 8.743 -17.309 6.985 1.00 0.00 N ATOM 944 CA PRO A 63 9.606 -16.133 6.843 1.00 0.00 C ATOM 945 C PRO A 63 9.804 -15.732 5.385 1.00 0.00 C ATOM 946 O PRO A 63 9.754 -14.550 5.045 1.00 0.00 O ATOM 947 CB PRO A 63 10.932 -16.590 7.456 1.00 0.00 C ATOM 948 CG PRO A 63 10.926 -18.072 7.309 1.00 0.00 C ATOM 949 CD PRO A 63 9.489 -18.496 7.437 1.00 0.00 C ATOM 0 HA PRO A 63 9.179 -15.253 7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.782 -16.144 6.939 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.006 -16.296 8.503 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.336 -18.370 6.344 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.541 -18.543 8.076 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.270 -19.367 6.820 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.238 -18.762 8.464 1.00 0.00 H new ATOM 957 N GLU A 64 10.027 -16.724 4.528 1.00 0.00 N ATOM 958 CA GLU A 64 10.232 -16.472 3.106 1.00 0.00 C ATOM 959 C GLU A 64 8.976 -15.883 2.471 1.00 0.00 C ATOM 960 O GLU A 64 9.033 -14.862 1.786 1.00 0.00 O ATOM 961 CB GLU A 64 10.622 -17.766 2.388 1.00 0.00 C ATOM 962 CG GLU A 64 11.932 -18.361 2.875 1.00 0.00 C ATOM 963 CD GLU A 64 12.353 -19.579 2.075 1.00 0.00 C ATOM 964 OE1 GLU A 64 12.600 -19.435 0.860 1.00 0.00 O ATOM 965 OE2 GLU A 64 12.434 -20.677 2.666 1.00 0.00 O ATOM 0 H GLU A 64 10.070 -17.708 4.793 1.00 0.00 H new ATOM 0 HA GLU A 64 11.042 -15.750 3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.827 -18.500 2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.697 -17.570 1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.714 -17.604 2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.833 -18.637 3.925 1.00 0.00 H new ATOM 972 N LYS A 65 7.842 -16.536 2.702 1.00 0.00 N ATOM 973 CA LYS A 65 6.570 -16.079 2.154 1.00 0.00 C ATOM 974 C LYS A 65 6.293 -14.634 2.556 1.00 0.00 C ATOM 975 O LYS A 65 6.265 -13.737 1.712 1.00 0.00 O ATOM 976 CB LYS A 65 5.431 -16.981 2.634 1.00 0.00 C ATOM 977 CG LYS A 65 4.289 -17.099 1.640 1.00 0.00 C ATOM 978 CD LYS A 65 3.224 -16.044 1.886 1.00 0.00 C ATOM 979 CE LYS A 65 3.500 -14.777 1.089 1.00 0.00 C ATOM 980 NZ LYS A 65 2.243 -14.076 0.709 1.00 0.00 N ATOM 0 H LYS A 65 7.778 -17.384 3.265 1.00 0.00 H new ATOM 0 HA LYS A 65 6.631 -16.130 1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.828 -17.975 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.043 -16.593 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.676 -16.997 0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.843 -18.091 1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.247 -16.441 1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.185 -15.805 2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.126 -14.107 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.061 -15.029 0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.467 -13.114 0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.771 -14.600 -0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.612 -14.023 1.534 1.00 0.00 H new ATOM 994 N THR A 66 6.088 -14.413 3.851 1.00 0.00 N ATOM 995 CA THR A 66 5.813 -13.077 4.365 1.00 0.00 C ATOM 996 C THR A 66 6.811 -12.062 3.819 1.00 0.00 C ATOM 997 O THR A 66 6.438 -10.952 3.439 1.00 0.00 O ATOM 998 CB THR A 66 5.858 -13.047 5.904 1.00 0.00 C ATOM 999 OG1 THR A 66 4.921 -13.987 6.440 1.00 0.00 O ATOM 1000 CG2 THR A 66 5.543 -11.654 6.428 1.00 0.00 C ATOM 0 H THR A 66 6.107 -15.143 4.563 1.00 0.00 H new ATOM 0 HA THR A 66 4.809 -12.811 4.033 1.00 0.00 H new ATOM 0 HB THR A 66 6.865 -13.318 6.221 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.345 -14.868 6.511 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.581 -11.658 7.517 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.276 -10.946 6.042 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.546 -11.359 6.101 1.00 0.00 H new ATOM 1008 N LYS A 67 8.081 -12.449 3.782 1.00 0.00 N ATOM 1009 CA LYS A 67 9.134 -11.574 3.280 1.00 0.00 C ATOM 1010 C LYS A 67 8.720 -10.923 1.964 1.00 0.00 C ATOM 1011 O LYS A 67 8.679 -9.699 1.852 1.00 0.00 O ATOM 1012 CB LYS A 67 10.432 -12.362 3.085 1.00 0.00 C ATOM 1013 CG LYS A 67 11.602 -11.505 2.635 1.00 0.00 C ATOM 1014 CD LYS A 67 11.687 -11.430 1.120 1.00 0.00 C ATOM 1015 CE LYS A 67 12.554 -12.545 0.554 1.00 0.00 C ATOM 1016 NZ LYS A 67 13.002 -12.249 -0.835 1.00 0.00 N ATOM 0 H LYS A 67 8.407 -13.364 4.094 1.00 0.00 H new ATOM 0 HA LYS A 67 9.300 -10.789 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.692 -12.854 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.263 -13.147 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.497 -10.500 3.045 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.530 -11.916 3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.685 -11.495 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.096 -10.464 0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.425 -12.688 1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.994 -13.480 0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.590 -13.032 -1.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.172 -12.138 -1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.558 -11.370 -0.841 1.00 0.00 H new ATOM 1030 N ALA A 68 8.412 -11.751 0.971 1.00 0.00 N ATOM 1031 CA ALA A 68 7.997 -11.256 -0.336 1.00 0.00 C ATOM 1032 C ALA A 68 6.873 -10.234 -0.204 1.00 0.00 C ATOM 1033 O ALA A 68 6.845 -9.231 -0.917 1.00 0.00 O ATOM 1034 CB ALA A 68 7.561 -12.412 -1.224 1.00 0.00 C ATOM 0 H ALA A 68 8.442 -12.768 1.047 1.00 0.00 H new ATOM 0 HA ALA A 68 8.851 -10.760 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.254 -12.028 -2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.392 -13.105 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.724 -12.933 -0.759 1.00 0.00 H new ATOM 1040 N VAL A 69 5.945 -10.496 0.712 1.00 0.00 N ATOM 1041 CA VAL A 69 4.819 -9.599 0.937 1.00 0.00 C ATOM 1042 C VAL A 69 5.294 -8.222 1.389 1.00 0.00 C ATOM 1043 O VAL A 69 4.771 -7.199 0.948 1.00 0.00 O ATOM 1044 CB VAL A 69 3.851 -10.167 1.992 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.617 -9.286 2.114 1.00 0.00 C ATOM 1046 CG2 VAL A 69 3.464 -11.596 1.644 1.00 0.00 C ATOM 0 H VAL A 69 5.952 -11.322 1.310 1.00 0.00 H new ATOM 0 HA VAL A 69 4.295 -9.505 -0.014 1.00 0.00 H new ATOM 0 HB VAL A 69 4.357 -10.177 2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.945 -9.703 2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.915 -8.281 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.105 -9.241 1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.780 -11.982 2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.976 -11.614 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.359 -12.218 1.613 1.00 0.00 H new ATOM 1056 N GLU A 70 6.289 -8.206 2.271 1.00 0.00 N ATOM 1057 CA GLU A 70 6.835 -6.954 2.782 1.00 0.00 C ATOM 1058 C GLU A 70 7.238 -6.028 1.638 1.00 0.00 C ATOM 1059 O GLU A 70 6.899 -4.846 1.633 1.00 0.00 O ATOM 1060 CB GLU A 70 8.042 -7.227 3.681 1.00 0.00 C ATOM 1061 CG GLU A 70 7.671 -7.774 5.049 1.00 0.00 C ATOM 1062 CD GLU A 70 7.402 -6.678 6.062 1.00 0.00 C ATOM 1063 OE1 GLU A 70 6.336 -6.034 5.971 1.00 0.00 O ATOM 1064 OE2 GLU A 70 8.258 -6.465 6.946 1.00 0.00 O ATOM 0 H GLU A 70 6.733 -9.045 2.646 1.00 0.00 H new ATOM 0 HA GLU A 70 6.059 -6.462 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.703 -7.936 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.605 -6.303 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.786 -8.403 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.478 -8.410 5.413 1.00 0.00 H new ATOM 1071 N ASN A 71 7.964 -6.576 0.669 1.00 0.00 N ATOM 1072 CA ASN A 71 8.415 -5.800 -0.481 1.00 0.00 C ATOM 1073 C ASN A 71 7.228 -5.299 -1.297 1.00 0.00 C ATOM 1074 O ASN A 71 7.239 -4.175 -1.802 1.00 0.00 O ATOM 1075 CB ASN A 71 9.335 -6.646 -1.363 1.00 0.00 C ATOM 1076 CG ASN A 71 9.878 -5.866 -2.546 1.00 0.00 C ATOM 1077 OD1 ASN A 71 10.088 -4.656 -2.462 1.00 0.00 O ATOM 1078 ND2 ASN A 71 10.108 -6.559 -3.655 1.00 0.00 N ATOM 0 H ASN A 71 8.253 -7.554 0.657 1.00 0.00 H new ATOM 0 HA ASN A 71 8.969 -4.937 -0.112 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.166 -7.019 -0.764 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.788 -7.516 -1.725 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.474 -6.089 -4.483 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.919 -7.561 -3.679 1.00 0.00 H new ATOM 1085 N TYR A 72 6.207 -6.138 -1.423 1.00 0.00 N ATOM 1086 CA TYR A 72 5.013 -5.781 -2.180 1.00 0.00 C ATOM 1087 C TYR A 72 4.396 -4.491 -1.647 1.00 0.00 C ATOM 1088 O TYR A 72 4.130 -3.557 -2.405 1.00 0.00 O ATOM 1089 CB TYR A 72 3.987 -6.914 -2.119 1.00 0.00 C ATOM 1090 CG TYR A 72 2.712 -6.617 -2.876 1.00 0.00 C ATOM 1091 CD1 TYR A 72 2.750 -6.102 -4.165 1.00 0.00 C ATOM 1092 CD2 TYR A 72 1.469 -6.854 -2.302 1.00 0.00 C ATOM 1093 CE1 TYR A 72 1.587 -5.829 -4.860 1.00 0.00 C ATOM 1094 CE2 TYR A 72 0.301 -6.586 -2.989 1.00 0.00 C ATOM 1095 CZ TYR A 72 0.366 -6.073 -4.268 1.00 0.00 C ATOM 1096 OH TYR A 72 -0.794 -5.804 -4.957 1.00 0.00 O ATOM 0 H TYR A 72 6.182 -7.071 -1.011 1.00 0.00 H new ATOM 0 HA TYR A 72 5.306 -5.621 -3.218 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.436 -7.822 -2.522 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.742 -7.115 -1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.705 -5.912 -4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.415 -7.255 -1.301 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.634 -5.427 -5.861 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.657 -6.777 -2.528 1.00 0.00 H new ATOM 0 HH TYR A 72 -1.111 -4.906 -4.725 1.00 0.00 H new ATOM 1106 N LEU A 73 4.170 -4.448 -0.339 1.00 0.00 N ATOM 1107 CA LEU A 73 3.584 -3.273 0.298 1.00 0.00 C ATOM 1108 C LEU A 73 4.432 -2.033 0.036 1.00 0.00 C ATOM 1109 O LEU A 73 3.904 -0.958 -0.251 1.00 0.00 O ATOM 1110 CB LEU A 73 3.445 -3.502 1.804 1.00 0.00 C ATOM 1111 CG LEU A 73 2.644 -4.734 2.225 1.00 0.00 C ATOM 1112 CD1 LEU A 73 2.813 -4.998 3.713 1.00 0.00 C ATOM 1113 CD2 LEU A 73 1.173 -4.559 1.876 1.00 0.00 C ATOM 0 H LEU A 73 4.383 -5.213 0.302 1.00 0.00 H new ATOM 0 HA LEU A 73 2.595 -3.111 -0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.444 -3.579 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.976 -2.621 2.243 1.00 0.00 H new ATOM 0 HG LEU A 73 3.026 -5.596 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.236 -5.879 3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.866 -5.169 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.458 -4.136 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.618 -5.446 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.777 -3.686 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.068 -4.420 0.800 1.00 0.00 H new ATOM 1125 N ILE A 74 5.748 -2.190 0.136 1.00 0.00 N ATOM 1126 CA ILE A 74 6.668 -1.083 -0.093 1.00 0.00 C ATOM 1127 C ILE A 74 6.505 -0.514 -1.498 1.00 0.00 C ATOM 1128 O ILE A 74 6.230 0.674 -1.669 1.00 0.00 O ATOM 1129 CB ILE A 74 8.132 -1.518 0.105 1.00 0.00 C ATOM 1130 CG1 ILE A 74 8.411 -1.787 1.585 1.00 0.00 C ATOM 1131 CG2 ILE A 74 9.078 -0.455 -0.433 1.00 0.00 C ATOM 1132 CD1 ILE A 74 9.726 -2.492 1.834 1.00 0.00 C ATOM 0 H ILE A 74 6.201 -3.073 0.374 1.00 0.00 H new ATOM 0 HA ILE A 74 6.423 -0.313 0.639 1.00 0.00 H new ATOM 0 HB ILE A 74 8.300 -2.441 -0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 74 8.408 -0.840 2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.601 -2.390 1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.109 -0.777 -0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.892 -0.308 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.912 0.482 0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.857 -2.650 2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.725 -3.455 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 74 10.544 -1.880 1.454 1.00 0.00 H new ATOM 1144 N GLN A 75 6.674 -1.370 -2.501 1.00 0.00 N ATOM 1145 CA GLN A 75 6.543 -0.952 -3.892 1.00 0.00 C ATOM 1146 C GLN A 75 5.171 -0.339 -4.150 1.00 0.00 C ATOM 1147 O GLN A 75 5.042 0.619 -4.911 1.00 0.00 O ATOM 1148 CB GLN A 75 6.768 -2.141 -4.827 1.00 0.00 C ATOM 1149 CG GLN A 75 5.779 -3.277 -4.615 1.00 0.00 C ATOM 1150 CD GLN A 75 5.822 -4.303 -5.730 1.00 0.00 C ATOM 1151 OE1 GLN A 75 6.873 -4.872 -6.025 1.00 0.00 O ATOM 1152 NE2 GLN A 75 4.676 -4.546 -6.356 1.00 0.00 N ATOM 0 H GLN A 75 6.902 -2.356 -2.376 1.00 0.00 H new ATOM 0 HA GLN A 75 7.301 -0.195 -4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.700 -1.799 -5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.780 -2.520 -4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.994 -3.768 -3.666 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.771 -2.868 -4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.828 -4.051 -6.079 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.644 -5.228 -7.114 1.00 0.00 H new ATOM 1161 N MET A 76 4.149 -0.899 -3.511 1.00 0.00 N ATOM 1162 CA MET A 76 2.786 -0.406 -3.671 1.00 0.00 C ATOM 1163 C MET A 76 2.674 1.043 -3.209 1.00 0.00 C ATOM 1164 O MET A 76 1.960 1.844 -3.812 1.00 0.00 O ATOM 1165 CB MET A 76 1.808 -1.282 -2.885 1.00 0.00 C ATOM 1166 CG MET A 76 1.371 -2.529 -3.635 1.00 0.00 C ATOM 1167 SD MET A 76 -0.262 -3.106 -3.133 1.00 0.00 S ATOM 1168 CE MET A 76 -0.019 -3.317 -1.371 1.00 0.00 C ATOM 0 H MET A 76 4.239 -1.694 -2.878 1.00 0.00 H new ATOM 0 HA MET A 76 2.532 -0.451 -4.730 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.273 -1.578 -1.945 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.927 -0.692 -2.633 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.365 -2.321 -4.705 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.099 -3.322 -3.468 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.973 -3.551 -0.898 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.683 -4.132 -1.196 1.00 0.00 H new ATOM 0 HE3 MET A 76 0.381 -2.396 -0.946 1.00 0.00 H new ATOM 1178 N ALA A 77 3.383 1.374 -2.134 1.00 0.00 N ATOM 1179 CA ALA A 77 3.364 2.727 -1.593 1.00 0.00 C ATOM 1180 C ALA A 77 3.847 3.739 -2.626 1.00 0.00 C ATOM 1181 O ALA A 77 3.101 4.630 -3.031 1.00 0.00 O ATOM 1182 CB ALA A 77 4.218 2.804 -0.336 1.00 0.00 C ATOM 0 H ALA A 77 3.978 0.723 -1.621 1.00 0.00 H new ATOM 0 HA ALA A 77 2.334 2.974 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.195 3.820 0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.826 2.116 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.245 2.531 -0.577 1.00 0.00 H new ATOM 1188 N ARG A 78 5.099 3.595 -3.048 1.00 0.00 N ATOM 1189 CA ARG A 78 5.682 4.498 -4.033 1.00 0.00 C ATOM 1190 C ARG A 78 4.730 4.711 -5.206 1.00 0.00 C ATOM 1191 O ARG A 78 4.379 5.844 -5.536 1.00 0.00 O ATOM 1192 CB ARG A 78 7.015 3.944 -4.538 1.00 0.00 C ATOM 1193 CG ARG A 78 8.024 3.680 -3.432 1.00 0.00 C ATOM 1194 CD ARG A 78 9.349 3.188 -3.992 1.00 0.00 C ATOM 1195 NE ARG A 78 10.175 4.286 -4.489 1.00 0.00 N ATOM 1196 CZ ARG A 78 11.486 4.191 -4.680 1.00 0.00 C ATOM 1197 NH1 ARG A 78 12.117 3.055 -4.418 1.00 0.00 N ATOM 1198 NH2 ARG A 78 12.168 5.234 -5.135 1.00 0.00 N ATOM 0 H ARG A 78 5.729 2.862 -2.723 1.00 0.00 H new ATOM 0 HA ARG A 78 5.856 5.459 -3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.831 3.016 -5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.445 4.649 -5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.186 4.594 -2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.622 2.939 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.892 2.648 -3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.161 2.481 -4.800 1.00 0.00 H new ATOM 0 HE ARG A 78 9.720 5.174 -4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.596 2.251 -4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.124 2.985 -4.566 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.686 6.109 -5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.175 5.160 -5.281 1.00 0.00 H new ATOM 1212 N TYR A 79 4.316 3.615 -5.831 1.00 0.00 N ATOM 1213 CA TYR A 79 3.407 3.681 -6.969 1.00 0.00 C ATOM 1214 C TYR A 79 2.181 4.526 -6.639 1.00 0.00 C ATOM 1215 O TYR A 79 1.959 5.579 -7.235 1.00 0.00 O ATOM 1216 CB TYR A 79 2.973 2.274 -7.385 1.00 0.00 C ATOM 1217 CG TYR A 79 3.975 1.569 -8.271 1.00 0.00 C ATOM 1218 CD1 TYR A 79 5.268 1.317 -7.827 1.00 0.00 C ATOM 1219 CD2 TYR A 79 3.629 1.154 -9.551 1.00 0.00 C ATOM 1220 CE1 TYR A 79 6.187 0.673 -8.633 1.00 0.00 C ATOM 1221 CE2 TYR A 79 4.541 0.508 -10.363 1.00 0.00 C ATOM 1222 CZ TYR A 79 5.819 0.271 -9.900 1.00 0.00 C ATOM 1223 OH TYR A 79 6.731 -0.372 -10.706 1.00 0.00 O ATOM 0 H TYR A 79 4.595 2.670 -5.569 1.00 0.00 H new ATOM 0 HA TYR A 79 3.937 4.150 -7.798 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.807 1.675 -6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.019 2.337 -7.908 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.559 1.630 -6.835 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.630 1.340 -9.917 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.188 0.485 -8.273 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.255 0.190 -11.355 1.00 0.00 H new ATOM 0 HH TYR A 79 6.313 -0.589 -11.565 1.00 0.00 H new ATOM 1233 N GLY A 80 1.386 4.056 -5.682 1.00 0.00 N ATOM 1234 CA GLY A 80 0.192 4.780 -5.286 1.00 0.00 C ATOM 1235 C GLY A 80 -1.032 3.888 -5.220 1.00 0.00 C ATOM 1236 O GLY A 80 -2.139 4.319 -5.541 1.00 0.00 O ATOM 0 H GLY A 80 1.548 3.186 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.356 5.239 -4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.010 5.589 -5.993 1.00 0.00 H new ATOM 1240 N GLN A 81 -0.831 2.641 -4.805 1.00 0.00 N ATOM 1241 CA GLN A 81 -1.928 1.686 -4.701 1.00 0.00 C ATOM 1242 C GLN A 81 -2.540 1.711 -3.304 1.00 0.00 C ATOM 1243 O GLN A 81 -3.760 1.630 -3.148 1.00 0.00 O ATOM 1244 CB GLN A 81 -1.437 0.275 -5.030 1.00 0.00 C ATOM 1245 CG GLN A 81 -0.775 0.165 -6.395 1.00 0.00 C ATOM 1246 CD GLN A 81 -0.138 -1.191 -6.626 1.00 0.00 C ATOM 1247 OE1 GLN A 81 -0.806 -2.223 -6.563 1.00 0.00 O ATOM 1248 NE2 GLN A 81 1.163 -1.196 -6.895 1.00 0.00 N ATOM 0 H GLN A 81 0.080 2.269 -4.536 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.696 1.973 -5.420 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.728 -0.042 -4.265 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.281 -0.414 -4.988 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.518 0.350 -7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.015 0.940 -6.490 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.678 -0.317 -6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.646 -2.079 -7.059 1.00 0.00 H new ATOM 1257 N LEU A 82 -1.688 1.822 -2.292 1.00 0.00 N ATOM 1258 CA LEU A 82 -2.145 1.857 -0.907 1.00 0.00 C ATOM 1259 C LEU A 82 -2.769 3.208 -0.573 1.00 0.00 C ATOM 1260 O LEU A 82 -2.069 4.214 -0.455 1.00 0.00 O ATOM 1261 CB LEU A 82 -0.980 1.571 0.043 1.00 0.00 C ATOM 1262 CG LEU A 82 -0.383 0.165 -0.030 1.00 0.00 C ATOM 1263 CD1 LEU A 82 1.073 0.180 0.408 1.00 0.00 C ATOM 1264 CD2 LEU A 82 -1.190 -0.801 0.824 1.00 0.00 C ATOM 0 H LEU A 82 -0.676 1.889 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.905 1.086 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.187 2.291 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.318 1.748 1.064 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.425 -0.174 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.481 -0.829 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.643 0.840 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.140 0.540 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.751 -1.797 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.180 -0.466 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.218 -0.834 0.463 1.00 0.00 H new ATOM 1276 N SER A 83 -4.089 3.223 -0.420 1.00 0.00 N ATOM 1277 CA SER A 83 -4.808 4.451 -0.101 1.00 0.00 C ATOM 1278 C SER A 83 -4.553 4.870 1.344 1.00 0.00 C ATOM 1279 O SER A 83 -3.914 5.889 1.602 1.00 0.00 O ATOM 1280 CB SER A 83 -6.308 4.264 -0.333 1.00 0.00 C ATOM 1281 OG SER A 83 -7.033 5.414 0.067 1.00 0.00 O ATOM 0 H SER A 83 -4.683 2.399 -0.512 1.00 0.00 H new ATOM 0 HA SER A 83 -4.442 5.239 -0.759 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.494 4.062 -1.388 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.660 3.396 0.225 1.00 0.00 H new ATOM 0 HG SER A 83 -7.989 5.270 -0.093 1.00 0.00 H new ATOM 1287 N GLU A 84 -5.060 4.075 2.282 1.00 0.00 N ATOM 1288 CA GLU A 84 -4.888 4.363 3.701 1.00 0.00 C ATOM 1289 C GLU A 84 -4.291 3.164 4.432 1.00 0.00 C ATOM 1290 O GLU A 84 -4.158 2.080 3.864 1.00 0.00 O ATOM 1291 CB GLU A 84 -6.229 4.743 4.332 1.00 0.00 C ATOM 1292 CG GLU A 84 -7.211 3.586 4.419 1.00 0.00 C ATOM 1293 CD GLU A 84 -8.656 4.043 4.380 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -9.100 4.693 5.349 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -9.343 3.750 3.379 1.00 0.00 O ATOM 0 H GLU A 84 -5.592 3.228 2.085 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.199 5.202 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.052 5.134 5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.679 5.548 3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.029 2.897 3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.034 3.032 5.341 1.00 0.00 H new ATOM 1302 N LYS A 85 -3.933 3.367 5.695 1.00 0.00 N ATOM 1303 CA LYS A 85 -3.350 2.304 6.505 1.00 0.00 C ATOM 1304 C LYS A 85 -4.132 1.005 6.342 1.00 0.00 C ATOM 1305 O LYS A 85 -5.331 0.951 6.616 1.00 0.00 O ATOM 1306 CB LYS A 85 -3.325 2.715 7.980 1.00 0.00 C ATOM 1307 CG LYS A 85 -2.321 3.812 8.288 1.00 0.00 C ATOM 1308 CD LYS A 85 -2.132 3.990 9.785 1.00 0.00 C ATOM 1309 CE LYS A 85 -1.576 5.366 10.118 1.00 0.00 C ATOM 1310 NZ LYS A 85 -2.626 6.420 10.047 1.00 0.00 N ATOM 0 H LYS A 85 -4.036 4.258 6.180 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.329 2.138 6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.320 3.052 8.272 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.094 1.841 8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.364 3.571 7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.660 4.750 7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.087 3.850 10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.455 3.223 10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -1.144 5.351 11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.770 5.609 9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.233 7.324 10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.949 6.522 9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.430 6.151 10.650 1.00 0.00 H new ATOM 1324 N VAL A 86 -3.445 -0.042 5.895 1.00 0.00 N ATOM 1325 CA VAL A 86 -4.074 -1.342 5.698 1.00 0.00 C ATOM 1326 C VAL A 86 -4.425 -1.991 7.032 1.00 0.00 C ATOM 1327 O VAL A 86 -3.755 -1.764 8.040 1.00 0.00 O ATOM 1328 CB VAL A 86 -3.161 -2.293 4.902 1.00 0.00 C ATOM 1329 CG1 VAL A 86 -3.774 -3.683 4.824 1.00 0.00 C ATOM 1330 CG2 VAL A 86 -2.900 -1.738 3.509 1.00 0.00 C ATOM 0 H VAL A 86 -2.452 -0.015 5.663 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.988 -1.168 5.130 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.207 -2.372 5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.114 -4.340 4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.905 -4.080 5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.743 -3.626 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.253 -2.422 2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.846 -1.628 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.414 -0.766 3.590 1.00 0.00 H new ATOM 1340 N SER A 87 -5.479 -2.800 7.032 1.00 0.00 N ATOM 1341 CA SER A 87 -5.922 -3.480 8.243 1.00 0.00 C ATOM 1342 C SER A 87 -5.755 -4.991 8.110 1.00 0.00 C ATOM 1343 O SER A 87 -5.603 -5.514 7.007 1.00 0.00 O ATOM 1344 CB SER A 87 -7.384 -3.142 8.538 1.00 0.00 C ATOM 1345 OG SER A 87 -7.490 -1.934 9.273 1.00 0.00 O ATOM 0 H SER A 87 -6.043 -3.001 6.206 1.00 0.00 H new ATOM 0 HA SER A 87 -5.302 -3.134 9.071 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.936 -3.052 7.602 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.842 -3.955 9.101 1.00 0.00 H new ATOM 0 HG SER A 87 -8.434 -1.739 9.447 1.00 0.00 H new ATOM 1351 N GLU A 88 -5.784 -5.686 9.243 1.00 0.00 N ATOM 1352 CA GLU A 88 -5.634 -7.136 9.253 1.00 0.00 C ATOM 1353 C GLU A 88 -6.293 -7.759 8.026 1.00 0.00 C ATOM 1354 O GLU A 88 -5.617 -8.331 7.170 1.00 0.00 O ATOM 1355 CB GLU A 88 -6.245 -7.725 10.527 1.00 0.00 C ATOM 1356 CG GLU A 88 -5.685 -9.088 10.896 1.00 0.00 C ATOM 1357 CD GLU A 88 -6.621 -9.881 11.788 1.00 0.00 C ATOM 1358 OE1 GLU A 88 -7.828 -9.946 11.474 1.00 0.00 O ATOM 1359 OE2 GLU A 88 -6.145 -10.437 12.800 1.00 0.00 O ATOM 0 H GLU A 88 -5.910 -5.268 10.165 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.569 -7.366 9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.075 -7.036 11.354 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.324 -7.808 10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.489 -9.655 9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.729 -8.959 11.403 1.00 0.00 H new ATOM 1366 N GLN A 89 -7.615 -7.645 7.948 1.00 0.00 N ATOM 1367 CA GLN A 89 -8.364 -8.198 6.826 1.00 0.00 C ATOM 1368 C GLN A 89 -7.619 -7.981 5.514 1.00 0.00 C ATOM 1369 O GLN A 89 -7.292 -8.935 4.809 1.00 0.00 O ATOM 1370 CB GLN A 89 -9.752 -7.560 6.749 1.00 0.00 C ATOM 1371 CG GLN A 89 -10.748 -8.149 7.736 1.00 0.00 C ATOM 1372 CD GLN A 89 -11.857 -7.179 8.095 1.00 0.00 C ATOM 1373 OE1 GLN A 89 -11.962 -6.097 7.517 1.00 0.00 O ATOM 1374 NE2 GLN A 89 -12.693 -7.564 9.052 1.00 0.00 N ATOM 0 H GLN A 89 -8.189 -7.175 8.648 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.473 -9.270 6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -9.661 -6.489 6.932 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.142 -7.678 5.738 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.184 -9.053 7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.222 -8.446 8.643 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.568 -8.470 9.504 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.460 -6.954 9.335 1.00 0.00 H new ATOM 1383 N GLY A 90 -7.353 -6.719 5.191 1.00 0.00 N ATOM 1384 CA GLY A 90 -6.648 -6.400 3.963 1.00 0.00 C ATOM 1385 C GLY A 90 -5.352 -7.173 3.821 1.00 0.00 C ATOM 1386 O GLY A 90 -5.186 -7.954 2.883 1.00 0.00 O ATOM 0 H GLY A 90 -7.613 -5.912 5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -7.292 -6.617 3.111 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -6.435 -5.331 3.937 1.00 0.00 H new ATOM 1390 N LEU A 91 -4.430 -6.956 4.752 1.00 0.00 N ATOM 1391 CA LEU A 91 -3.141 -7.637 4.725 1.00 0.00 C ATOM 1392 C LEU A 91 -3.314 -9.119 4.410 1.00 0.00 C ATOM 1393 O LEU A 91 -2.814 -9.611 3.398 1.00 0.00 O ATOM 1394 CB LEU A 91 -2.426 -7.469 6.067 1.00 0.00 C ATOM 1395 CG LEU A 91 -0.997 -8.011 6.139 1.00 0.00 C ATOM 1396 CD1 LEU A 91 0.004 -6.924 5.778 1.00 0.00 C ATOM 1397 CD2 LEU A 91 -0.707 -8.568 7.525 1.00 0.00 C ATOM 0 H LEU A 91 -4.551 -6.314 5.535 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.536 -7.186 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.403 -6.407 6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.020 -7.962 6.837 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.899 -8.821 5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.015 -7.327 5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.190 -6.572 4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.094 -6.092 6.476 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.314 -8.949 7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.823 -7.778 8.266 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.404 -9.377 7.745 1.00 0.00 H new ATOM 1409 N ILE A 92 -4.027 -9.824 5.282 1.00 0.00 N ATOM 1410 CA ILE A 92 -4.270 -11.250 5.094 1.00 0.00 C ATOM 1411 C ILE A 92 -4.513 -11.577 3.625 1.00 0.00 C ATOM 1412 O ILE A 92 -3.971 -12.548 3.098 1.00 0.00 O ATOM 1413 CB ILE A 92 -5.477 -11.729 5.922 1.00 0.00 C ATOM 1414 CG1 ILE A 92 -5.232 -11.482 7.412 1.00 0.00 C ATOM 1415 CG2 ILE A 92 -5.746 -13.203 5.661 1.00 0.00 C ATOM 1416 CD1 ILE A 92 -6.408 -11.852 8.288 1.00 0.00 C ATOM 0 H ILE A 92 -4.446 -9.432 6.125 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.376 -11.771 5.436 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.356 -11.160 5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.360 -12.054 7.728 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.994 -10.429 7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.602 -13.527 6.253 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.960 -13.352 4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.869 -13.788 5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.163 -11.650 9.331 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.277 -11.261 7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.633 -12.912 8.167 1.00 0.00 H new ATOM 1428 N GLU A 93 -5.330 -10.759 2.969 1.00 0.00 N ATOM 1429 CA GLU A 93 -5.643 -10.962 1.560 1.00 0.00 C ATOM 1430 C GLU A 93 -4.404 -10.761 0.692 1.00 0.00 C ATOM 1431 O GLU A 93 -4.213 -11.456 -0.306 1.00 0.00 O ATOM 1432 CB GLU A 93 -6.750 -10.003 1.117 1.00 0.00 C ATOM 1433 CG GLU A 93 -8.106 -10.314 1.729 1.00 0.00 C ATOM 1434 CD GLU A 93 -9.258 -9.871 0.848 1.00 0.00 C ATOM 1435 OE1 GLU A 93 -9.464 -8.647 0.710 1.00 0.00 O ATOM 1436 OE2 GLU A 93 -9.955 -10.750 0.298 1.00 0.00 O ATOM 0 H GLU A 93 -5.787 -9.950 3.391 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.989 -11.988 1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.465 -8.985 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.835 -10.036 0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.182 -11.386 1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.185 -9.822 2.698 1.00 0.00 H new ATOM 1443 N ILE A 94 -3.566 -9.806 1.080 1.00 0.00 N ATOM 1444 CA ILE A 94 -2.346 -9.513 0.339 1.00 0.00 C ATOM 1445 C ILE A 94 -1.471 -10.756 0.208 1.00 0.00 C ATOM 1446 O ILE A 94 -0.963 -11.060 -0.872 1.00 0.00 O ATOM 1447 CB ILE A 94 -1.531 -8.395 1.015 1.00 0.00 C ATOM 1448 CG1 ILE A 94 -2.433 -7.203 1.342 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.378 -7.964 0.119 1.00 0.00 C ATOM 1450 CD1 ILE A 94 -3.188 -6.670 0.144 1.00 0.00 C ATOM 0 H ILE A 94 -3.710 -9.222 1.904 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.652 -9.180 -0.653 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.117 -8.780 1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.148 -7.499 2.110 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.825 -6.403 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.189 -7.173 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.275 -8.816 -0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.772 -7.594 -0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.807 -5.826 0.450 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.479 -6.343 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.823 -7.456 -0.265 1.00 0.00 H new ATOM 1462 N LEU A 95 -1.301 -11.472 1.313 1.00 0.00 N ATOM 1463 CA LEU A 95 -0.490 -12.684 1.322 1.00 0.00 C ATOM 1464 C LEU A 95 -0.832 -13.578 0.135 1.00 0.00 C ATOM 1465 O LEU A 95 0.052 -14.165 -0.490 1.00 0.00 O ATOM 1466 CB LEU A 95 -0.698 -13.452 2.629 1.00 0.00 C ATOM 1467 CG LEU A 95 -0.112 -12.808 3.886 1.00 0.00 C ATOM 1468 CD1 LEU A 95 -0.820 -13.324 5.130 1.00 0.00 C ATOM 1469 CD2 LEU A 95 1.384 -13.072 3.973 1.00 0.00 C ATOM 0 H LEU A 95 -1.714 -11.234 2.215 1.00 0.00 H new ATOM 0 HA LEU A 95 0.557 -12.390 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.769 -13.589 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.263 -14.445 2.517 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.267 -11.731 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.390 -12.855 6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.881 -13.083 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.697 -14.405 5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.784 -12.606 4.874 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.562 -14.147 4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.879 -12.652 3.097 1.00 0.00 H new ATOM 1481 N LYS A 96 -2.121 -13.675 -0.174 1.00 0.00 N ATOM 1482 CA LYS A 96 -2.582 -14.494 -1.289 1.00 0.00 C ATOM 1483 C LYS A 96 -2.681 -13.666 -2.567 1.00 0.00 C ATOM 1484 O LYS A 96 -3.505 -13.946 -3.438 1.00 0.00 O ATOM 1485 CB LYS A 96 -3.942 -15.116 -0.964 1.00 0.00 C ATOM 1486 CG LYS A 96 -3.972 -15.853 0.363 1.00 0.00 C ATOM 1487 CD LYS A 96 -5.352 -15.805 0.997 1.00 0.00 C ATOM 1488 CE LYS A 96 -5.301 -16.168 2.473 1.00 0.00 C ATOM 1489 NZ LYS A 96 -5.088 -17.628 2.677 1.00 0.00 N ATOM 0 H LYS A 96 -2.865 -13.196 0.333 1.00 0.00 H new ATOM 0 HA LYS A 96 -1.855 -15.290 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.698 -14.330 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.215 -15.808 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.677 -16.891 0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.243 -15.411 1.042 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.772 -14.806 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.017 -16.493 0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.497 -15.613 2.956 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.231 -15.866 2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.059 -17.836 3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.868 -18.157 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.188 -17.912 2.240 1.00 0.00 H new ATOM 1503 N LYS A 97 -1.835 -12.647 -2.673 1.00 0.00 N ATOM 1504 CA LYS A 97 -1.825 -11.780 -3.846 1.00 0.00 C ATOM 1505 C LYS A 97 -0.440 -11.744 -4.484 1.00 0.00 C ATOM 1506 O LYS A 97 -0.303 -11.870 -5.701 1.00 0.00 O ATOM 1507 CB LYS A 97 -2.259 -10.364 -3.462 1.00 0.00 C ATOM 1508 CG LYS A 97 -3.690 -10.281 -2.959 1.00 0.00 C ATOM 1509 CD LYS A 97 -4.667 -10.037 -4.097 1.00 0.00 C ATOM 1510 CE LYS A 97 -4.910 -8.551 -4.314 1.00 0.00 C ATOM 1511 NZ LYS A 97 -3.968 -7.976 -5.314 1.00 0.00 N ATOM 0 H LYS A 97 -1.147 -12.401 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.530 -12.185 -4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.589 -9.985 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.149 -9.712 -4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.951 -11.207 -2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.774 -9.477 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.278 -10.481 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.613 -10.533 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.935 -8.396 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.801 -8.023 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.349 -7.078 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.046 -7.805 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.850 -8.643 -6.103 1.00 0.00 H new ATOM 1525 N VAL A 98 0.584 -11.571 -3.654 1.00 0.00 N ATOM 1526 CA VAL A 98 1.959 -11.521 -4.138 1.00 0.00 C ATOM 1527 C VAL A 98 2.373 -12.852 -4.757 1.00 0.00 C ATOM 1528 O VAL A 98 3.157 -12.890 -5.704 1.00 0.00 O ATOM 1529 CB VAL A 98 2.940 -11.168 -3.004 1.00 0.00 C ATOM 1530 CG1 VAL A 98 2.762 -12.117 -1.829 1.00 0.00 C ATOM 1531 CG2 VAL A 98 4.373 -11.198 -3.512 1.00 0.00 C ATOM 0 H VAL A 98 0.488 -11.463 -2.644 1.00 0.00 H new ATOM 0 HA VAL A 98 1.999 -10.742 -4.899 1.00 0.00 H new ATOM 0 HB VAL A 98 2.722 -10.157 -2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.463 -11.852 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.743 -12.041 -1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.952 -13.140 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.053 -10.946 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.606 -12.196 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.488 -10.474 -4.318 1.00 0.00 H new