USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= -1.34! (180deg=-3.24!) USER MOD Single : A 48 MET CE :methyl 162:sc= -0.148 (180deg=-0.79) USER MOD Single : A 52 SER OG : rot -9:sc= 0.854 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 56 SER OG : rot 160:sc= 0.0132 USER MOD Single : A 60 LYS NZ :NH3+ -171:sc=-0.00308 (180deg=-0.0908) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 70 SER OG : rot 86:sc= 1.14 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc=-0.00148 USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= 1.12 (180deg=0.987) USER MOD Single : A 89 LYS NZ :NH3+ -155:sc= 1.01 (180deg=-0.332!) USER MOD Single : A 94 LYS NZ :NH3+ 150:sc= 1.16 (180deg=0.908) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -4.332 -8.251 -0.526 1.00 0.00 N ATOM 601 CA LEU A 40 -3.946 -8.858 -1.784 1.00 0.00 C ATOM 602 C LEU A 40 -2.915 -9.958 -1.542 1.00 0.00 C ATOM 603 O LEU A 40 -2.616 -10.749 -2.436 1.00 0.00 O ATOM 604 CB LEU A 40 -3.373 -7.812 -2.748 1.00 0.00 C ATOM 605 CG LEU A 40 -2.032 -7.181 -2.347 1.00 0.00 C ATOM 606 CD1 LEU A 40 -1.213 -6.857 -3.586 1.00 0.00 C ATOM 607 CD2 LEU A 40 -2.249 -5.915 -1.534 1.00 0.00 C ATOM 0 HA LEU A 40 -4.837 -9.292 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.253 -8.277 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.106 -7.014 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.491 -7.901 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.264 -6.410 -3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.023 -7.773 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.764 -6.156 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.284 -5.487 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.812 -5.194 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.807 -6.155 -0.629 1.00 0.00 H new ATOM 619 N ILE A 41 -2.379 -10.003 -0.326 1.00 0.00 N ATOM 620 CA ILE A 41 -1.367 -10.996 0.020 1.00 0.00 C ATOM 621 C ILE A 41 -1.990 -12.385 0.099 1.00 0.00 C ATOM 622 O ILE A 41 -2.824 -12.660 0.968 1.00 0.00 O ATOM 623 CB ILE A 41 -0.669 -10.671 1.361 1.00 0.00 C ATOM 624 CG1 ILE A 41 -0.126 -9.236 1.363 1.00 0.00 C ATOM 625 CG2 ILE A 41 0.453 -11.667 1.629 1.00 0.00 C ATOM 626 CD1 ILE A 41 0.792 -8.915 0.202 1.00 0.00 C ATOM 0 H ILE A 41 -2.627 -9.367 0.432 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.615 -10.972 -0.768 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.407 -10.754 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.966 -8.542 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.413 -9.065 2.295 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.935 -11.426 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.041 -12.675 1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.187 -11.614 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.130 -7.882 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.654 -9.582 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.253 -9.050 -0.736 1.00 0.00 H new ATOM 638 N GLY A 42 -1.588 -13.249 -0.821 1.00 0.00 N ATOM 639 CA GLY A 42 -2.137 -14.585 -0.878 1.00 0.00 C ATOM 640 C GLY A 42 -3.358 -14.655 -1.772 1.00 0.00 C ATOM 641 O GLY A 42 -4.108 -15.637 -1.741 1.00 0.00 O ATOM 0 H GLY A 42 -0.887 -13.045 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.377 -15.275 -1.246 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.404 -14.911 0.127 1.00 0.00 H new ATOM 645 N ARG A 43 -3.564 -13.614 -2.568 1.00 0.00 N ATOM 646 CA ARG A 43 -4.708 -13.559 -3.463 1.00 0.00 C ATOM 647 C ARG A 43 -4.279 -13.697 -4.915 1.00 0.00 C ATOM 648 O ARG A 43 -3.085 -13.670 -5.232 1.00 0.00 O ATOM 649 CB ARG A 43 -5.487 -12.258 -3.264 1.00 0.00 C ATOM 650 CG ARG A 43 -6.176 -12.175 -1.917 1.00 0.00 C ATOM 651 CD ARG A 43 -7.084 -13.370 -1.697 1.00 0.00 C ATOM 652 NE ARG A 43 -7.684 -13.368 -0.366 1.00 0.00 N ATOM 653 CZ ARG A 43 -7.898 -14.469 0.345 1.00 0.00 C ATOM 654 NH1 ARG A 43 -7.514 -15.649 -0.123 1.00 0.00 N ATOM 655 NH2 ARG A 43 -8.496 -14.385 1.524 1.00 0.00 N ATOM 0 H ARG A 43 -2.954 -12.798 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.359 -14.399 -3.220 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.805 -11.414 -3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.233 -12.165 -4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.429 -12.130 -1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.758 -11.255 -1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.873 -13.368 -2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.513 -14.288 -1.835 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.954 -12.472 0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.053 -15.712 -1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.679 -16.493 0.425 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.790 -13.477 1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.662 -15.229 2.073 1.00 0.00 H new ATOM 669 N LYS A 44 -5.264 -13.847 -5.790 1.00 0.00 N ATOM 670 CA LYS A 44 -5.030 -14.031 -7.194 1.00 0.00 C ATOM 671 C LYS A 44 -4.932 -12.701 -7.921 1.00 0.00 C ATOM 672 O LYS A 44 -5.579 -11.719 -7.547 1.00 0.00 O ATOM 673 CB LYS A 44 -6.174 -14.840 -7.776 1.00 0.00 C ATOM 674 CG LYS A 44 -6.118 -16.318 -7.445 1.00 0.00 C ATOM 675 CD LYS A 44 -7.313 -17.072 -8.011 1.00 0.00 C ATOM 676 CE LYS A 44 -7.293 -17.155 -9.535 1.00 0.00 C ATOM 677 NZ LYS A 44 -7.669 -15.872 -10.190 1.00 0.00 N ATOM 0 H LYS A 44 -6.251 -13.843 -5.532 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.082 -14.554 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.116 -14.432 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.175 -14.721 -8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.198 -16.745 -7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.087 -16.447 -6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.330 -18.080 -7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.232 -16.581 -7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.296 -17.447 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.978 -17.938 -9.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.031 -16.063 -11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.406 -15.399 -9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.833 -15.257 -10.253 1.00 0.00 H new ATOM 691 N GLY A 45 -4.119 -12.686 -8.957 1.00 0.00 N ATOM 692 CA GLY A 45 -4.016 -11.537 -9.820 1.00 0.00 C ATOM 693 C GLY A 45 -3.842 -11.953 -11.261 1.00 0.00 C ATOM 694 O GLY A 45 -3.082 -12.869 -11.561 1.00 0.00 O ATOM 0 H GLY A 45 -3.517 -13.466 -9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.911 -10.923 -9.721 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.171 -10.921 -9.512 1.00 0.00 H new ATOM 698 N VAL A 46 -4.563 -11.302 -12.144 1.00 0.00 N ATOM 699 CA VAL A 46 -4.469 -11.586 -13.565 1.00 0.00 C ATOM 700 C VAL A 46 -3.470 -10.637 -14.222 1.00 0.00 C ATOM 701 O VAL A 46 -3.370 -9.466 -13.850 1.00 0.00 O ATOM 702 CB VAL A 46 -5.854 -11.468 -14.253 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.421 -10.060 -14.113 1.00 0.00 C ATOM 704 CG2 VAL A 46 -5.780 -11.875 -15.719 1.00 0.00 C ATOM 0 H VAL A 46 -5.227 -10.566 -11.905 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.121 -12.612 -13.685 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.530 -12.157 -13.746 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.392 -10.008 -14.605 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.536 -9.817 -13.057 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.741 -9.346 -14.577 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.767 -11.781 -16.173 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.077 -11.226 -16.242 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.443 -12.909 -15.793 1.00 0.00 H new ATOM 714 N VAL A 47 -2.724 -11.146 -15.189 1.00 0.00 N ATOM 715 CA VAL A 47 -1.706 -10.355 -15.858 1.00 0.00 C ATOM 716 C VAL A 47 -2.324 -9.505 -16.964 1.00 0.00 C ATOM 717 O VAL A 47 -2.873 -10.031 -17.934 1.00 0.00 O ATOM 718 CB VAL A 47 -0.597 -11.250 -16.445 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.496 -10.405 -17.075 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.021 -12.160 -15.370 1.00 0.00 C ATOM 0 H VAL A 47 -2.805 -12.105 -15.528 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.259 -9.698 -15.112 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.036 -11.874 -17.223 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.269 -11.056 -17.483 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.072 -9.799 -17.876 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.933 -9.753 -16.319 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.761 -12.785 -15.803 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.401 -11.554 -14.568 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.811 -12.794 -14.968 1.00 0.00 H new ATOM 730 N MET A 48 -2.236 -8.192 -16.803 1.00 0.00 N ATOM 731 CA MET A 48 -2.770 -7.253 -17.777 1.00 0.00 C ATOM 732 C MET A 48 -1.669 -6.789 -18.721 1.00 0.00 C ATOM 733 O MET A 48 -1.913 -6.507 -19.891 1.00 0.00 O ATOM 734 CB MET A 48 -3.383 -6.041 -17.072 1.00 0.00 C ATOM 735 CG MET A 48 -4.561 -6.377 -16.184 1.00 0.00 C ATOM 736 SD MET A 48 -5.269 -4.924 -15.387 1.00 0.00 S ATOM 737 CE MET A 48 -5.778 -3.965 -16.814 1.00 0.00 C ATOM 0 H MET A 48 -1.794 -7.750 -15.997 1.00 0.00 H new ATOM 0 HA MET A 48 -3.545 -7.760 -18.351 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.614 -5.556 -16.470 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.702 -5.319 -17.824 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.330 -6.871 -16.779 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.244 -7.087 -15.420 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.503 -3.211 -16.506 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.908 -3.475 -17.252 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.233 -4.625 -17.553 1.00 0.00 H new ATOM 747 N GLU A 49 -0.454 -6.710 -18.197 1.00 0.00 N ATOM 748 CA GLU A 49 0.693 -6.308 -18.995 1.00 0.00 C ATOM 749 C GLU A 49 1.823 -7.312 -18.811 1.00 0.00 C ATOM 750 O GLU A 49 2.048 -7.794 -17.701 1.00 0.00 O ATOM 751 CB GLU A 49 1.152 -4.894 -18.613 1.00 0.00 C ATOM 752 CG GLU A 49 2.250 -4.344 -19.510 1.00 0.00 C ATOM 753 CD GLU A 49 1.869 -4.378 -20.973 1.00 0.00 C ATOM 754 OE1 GLU A 49 1.243 -3.411 -21.457 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.187 -5.379 -21.649 1.00 0.00 O ATOM 0 H GLU A 49 -0.238 -6.919 -17.222 1.00 0.00 H new ATOM 0 HA GLU A 49 0.404 -6.291 -20.046 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.295 -4.221 -18.649 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.507 -4.903 -17.583 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.473 -3.318 -19.219 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.161 -4.923 -19.361 1.00 0.00 H new ATOM 763 N ALA A 50 2.525 -7.606 -19.902 1.00 0.00 N ATOM 764 CA ALA A 50 3.549 -8.649 -19.924 1.00 0.00 C ATOM 765 C ALA A 50 4.629 -8.423 -18.867 1.00 0.00 C ATOM 766 O ALA A 50 5.269 -7.371 -18.826 1.00 0.00 O ATOM 767 CB ALA A 50 4.178 -8.736 -21.308 1.00 0.00 C ATOM 0 H ALA A 50 2.401 -7.129 -20.795 1.00 0.00 H new ATOM 0 HA ALA A 50 3.057 -9.592 -19.687 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.939 -9.516 -21.313 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.409 -8.975 -22.043 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.636 -7.780 -21.560 1.00 0.00 H new ATOM 773 N ILE A 51 4.820 -9.428 -18.023 1.00 0.00 N ATOM 774 CA ILE A 51 5.836 -9.386 -16.984 1.00 0.00 C ATOM 775 C ILE A 51 7.153 -9.931 -17.524 1.00 0.00 C ATOM 776 O ILE A 51 7.242 -11.101 -17.893 1.00 0.00 O ATOM 777 CB ILE A 51 5.411 -10.211 -15.747 1.00 0.00 C ATOM 778 CG1 ILE A 51 4.080 -9.698 -15.194 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.489 -10.153 -14.672 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.523 -10.530 -14.059 1.00 0.00 C ATOM 0 H ILE A 51 4.277 -10.291 -18.040 1.00 0.00 H new ATOM 0 HA ILE A 51 5.960 -8.347 -16.680 1.00 0.00 H new ATOM 0 HB ILE A 51 5.282 -11.249 -16.053 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.213 -8.673 -14.848 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.349 -9.669 -16.002 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.174 -10.739 -13.809 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.419 -10.561 -15.067 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.646 -9.118 -14.370 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.579 -10.101 -13.723 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.356 -11.550 -14.404 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.233 -10.538 -13.232 1.00 0.00 H new ATOM 792 N SER A 52 8.168 -9.088 -17.575 1.00 0.00 N ATOM 793 CA SER A 52 9.448 -9.494 -18.123 1.00 0.00 C ATOM 794 C SER A 52 10.598 -8.969 -17.275 1.00 0.00 C ATOM 795 O SER A 52 10.402 -8.097 -16.432 1.00 0.00 O ATOM 796 CB SER A 52 9.584 -8.991 -19.561 1.00 0.00 C ATOM 797 OG SER A 52 9.366 -7.590 -19.643 1.00 0.00 O ATOM 0 H SER A 52 8.131 -8.123 -17.246 1.00 0.00 H new ATOM 0 HA SER A 52 9.492 -10.583 -18.117 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.579 -9.229 -19.939 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.868 -9.510 -20.199 1.00 0.00 H new ATOM 0 HG SER A 52 9.036 -7.259 -18.782 1.00 0.00 H new ATOM 803 N PRO A 53 11.816 -9.502 -17.485 1.00 0.00 N ATOM 804 CA PRO A 53 13.014 -9.018 -16.809 1.00 0.00 C ATOM 805 C PRO A 53 13.572 -7.767 -17.489 1.00 0.00 C ATOM 806 O PRO A 53 14.633 -7.261 -17.127 1.00 0.00 O ATOM 807 CB PRO A 53 13.991 -10.189 -16.916 1.00 0.00 C ATOM 808 CG PRO A 53 13.542 -10.992 -18.096 1.00 0.00 C ATOM 809 CD PRO A 53 12.110 -10.621 -18.395 1.00 0.00 C ATOM 0 HA PRO A 53 12.822 -8.723 -15.777 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.013 -9.834 -17.051 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.980 -10.791 -16.007 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.176 -10.789 -18.959 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.623 -12.058 -17.885 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.987 -10.327 -19.437 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.438 -11.461 -18.219 1.00 0.00 H new ATOM 817 N GLN A 54 12.841 -7.295 -18.492 1.00 0.00 N ATOM 818 CA GLN A 54 13.160 -6.052 -19.178 1.00 0.00 C ATOM 819 C GLN A 54 12.299 -4.926 -18.621 1.00 0.00 C ATOM 820 O GLN A 54 12.763 -3.803 -18.417 1.00 0.00 O ATOM 821 CB GLN A 54 12.900 -6.197 -20.677 1.00 0.00 C ATOM 822 CG GLN A 54 13.823 -7.180 -21.369 1.00 0.00 C ATOM 823 CD GLN A 54 13.404 -7.453 -22.796 1.00 0.00 C ATOM 824 OE1 GLN A 54 12.655 -8.394 -23.069 1.00 0.00 O ATOM 825 NE2 GLN A 54 13.864 -6.624 -23.718 1.00 0.00 N ATOM 0 H GLN A 54 12.010 -7.765 -18.852 1.00 0.00 H new ATOM 0 HA GLN A 54 14.213 -5.821 -19.019 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.868 -6.515 -20.828 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.005 -5.221 -21.150 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.840 -6.788 -21.360 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.837 -8.116 -20.811 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.482 -5.857 -23.452 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.601 -6.751 -24.695 1.00 0.00 H new ATOM 834 N ASN A 55 11.034 -5.248 -18.383 1.00 0.00 N ATOM 835 CA ASN A 55 10.071 -4.299 -17.847 1.00 0.00 C ATOM 836 C ASN A 55 9.035 -5.037 -17.009 1.00 0.00 C ATOM 837 O ASN A 55 8.453 -6.023 -17.467 1.00 0.00 O ATOM 838 CB ASN A 55 9.393 -3.532 -18.991 1.00 0.00 C ATOM 839 CG ASN A 55 8.291 -2.599 -18.518 1.00 0.00 C ATOM 840 OD1 ASN A 55 8.545 -1.462 -18.117 1.00 0.00 O ATOM 841 ND2 ASN A 55 7.054 -3.063 -18.595 1.00 0.00 N ATOM 0 H ASN A 55 10.648 -6.176 -18.557 1.00 0.00 H new ATOM 0 HA ASN A 55 10.589 -3.581 -17.212 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.145 -2.953 -19.527 1.00 0.00 H new ATOM 0 HB3 ASN A 55 8.975 -4.246 -19.701 1.00 0.00 H new ATOM 0 HD21 ASN A 55 6.270 -2.473 -18.317 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.885 -4.011 -18.932 1.00 0.00 H new ATOM 848 N SER A 56 8.830 -4.579 -15.780 1.00 0.00 N ATOM 849 CA SER A 56 7.872 -5.201 -14.878 1.00 0.00 C ATOM 850 C SER A 56 6.474 -5.167 -15.482 1.00 0.00 C ATOM 851 O SER A 56 6.116 -4.228 -16.190 1.00 0.00 O ATOM 852 CB SER A 56 7.861 -4.476 -13.534 1.00 0.00 C ATOM 853 OG SER A 56 9.177 -4.140 -13.122 1.00 0.00 O ATOM 0 H SER A 56 9.318 -3.775 -15.385 1.00 0.00 H new ATOM 0 HA SER A 56 8.171 -6.238 -14.725 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.259 -3.571 -13.611 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.391 -5.108 -12.780 1.00 0.00 H new ATOM 0 HG SER A 56 9.138 -3.422 -12.456 1.00 0.00 H new ATOM 859 N GLY A 57 5.684 -6.171 -15.179 1.00 0.00 N ATOM 860 CA GLY A 57 4.366 -6.261 -15.761 1.00 0.00 C ATOM 861 C GLY A 57 3.308 -5.695 -14.847 1.00 0.00 C ATOM 862 O GLY A 57 3.601 -5.306 -13.715 1.00 0.00 O ATOM 0 H GLY A 57 5.927 -6.928 -14.541 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.351 -5.725 -16.710 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.136 -7.304 -15.980 1.00 0.00 H new ATOM 866 N LEU A 58 2.082 -5.655 -15.333 1.00 0.00 N ATOM 867 CA LEU A 58 0.969 -5.128 -14.561 1.00 0.00 C ATOM 868 C LEU A 58 -0.053 -6.220 -14.302 1.00 0.00 C ATOM 869 O LEU A 58 -0.499 -6.894 -15.231 1.00 0.00 O ATOM 870 CB LEU A 58 0.304 -3.958 -15.294 1.00 0.00 C ATOM 871 CG LEU A 58 1.175 -2.719 -15.479 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.434 -1.660 -16.279 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.607 -2.165 -14.133 1.00 0.00 C ATOM 0 H LEU A 58 1.829 -5.983 -16.265 1.00 0.00 H new ATOM 0 HA LEU A 58 1.357 -4.766 -13.609 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.019 -4.304 -16.276 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.593 -3.671 -14.746 1.00 0.00 H new ATOM 0 HG LEU A 58 2.068 -3.007 -16.034 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.071 -0.784 -16.401 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.175 -2.060 -17.260 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.476 -1.376 -15.751 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.227 -1.282 -14.285 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.726 -1.894 -13.551 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.178 -2.921 -13.595 1.00 0.00 H new ATOM 885 N VAL A 59 -0.411 -6.399 -13.042 1.00 0.00 N ATOM 886 CA VAL A 59 -1.390 -7.405 -12.659 1.00 0.00 C ATOM 887 C VAL A 59 -2.561 -6.763 -11.934 1.00 0.00 C ATOM 888 O VAL A 59 -2.386 -5.826 -11.155 1.00 0.00 O ATOM 889 CB VAL A 59 -0.774 -8.506 -11.767 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.222 -9.339 -12.558 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.106 -7.904 -10.538 1.00 0.00 C ATOM 0 H VAL A 59 -0.037 -5.858 -12.262 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.740 -7.872 -13.580 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.581 -9.156 -11.430 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.645 -10.109 -11.913 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.285 -9.809 -13.400 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.021 -8.696 -12.928 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.319 -8.701 -9.928 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.687 -7.224 -10.851 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.845 -7.355 -9.954 1.00 0.00 H new ATOM 901 N LYS A 60 -3.755 -7.259 -12.196 1.00 0.00 N ATOM 902 CA LYS A 60 -4.944 -6.727 -11.558 1.00 0.00 C ATOM 903 C LYS A 60 -5.333 -7.607 -10.383 1.00 0.00 C ATOM 904 O LYS A 60 -5.818 -8.726 -10.564 1.00 0.00 O ATOM 905 CB LYS A 60 -6.094 -6.632 -12.561 1.00 0.00 C ATOM 906 CG LYS A 60 -7.308 -5.881 -12.037 1.00 0.00 C ATOM 907 CD LYS A 60 -8.359 -5.704 -13.124 1.00 0.00 C ATOM 908 CE LYS A 60 -9.545 -4.892 -12.632 1.00 0.00 C ATOM 909 NZ LYS A 60 -10.264 -5.566 -11.520 1.00 0.00 N ATOM 0 H LYS A 60 -3.927 -8.027 -12.844 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.730 -5.723 -11.192 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.736 -6.138 -13.464 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.398 -7.639 -12.847 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.739 -6.424 -11.196 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.001 -4.905 -11.662 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.911 -5.209 -13.986 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.702 -6.682 -13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.200 -3.913 -12.299 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.235 -4.722 -13.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.148 -5.056 -11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.483 -6.546 -11.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.665 -5.569 -10.670 1.00 0.00 H new ATOM 923 N VAL A 61 -5.099 -7.106 -9.182 1.00 0.00 N ATOM 924 CA VAL A 61 -5.378 -7.861 -7.973 1.00 0.00 C ATOM 925 C VAL A 61 -6.463 -7.161 -7.168 1.00 0.00 C ATOM 926 O VAL A 61 -6.328 -5.978 -6.837 1.00 0.00 O ATOM 927 CB VAL A 61 -4.116 -8.026 -7.099 1.00 0.00 C ATOM 928 CG1 VAL A 61 -4.395 -8.950 -5.921 1.00 0.00 C ATOM 929 CG2 VAL A 61 -2.950 -8.550 -7.926 1.00 0.00 C ATOM 0 H VAL A 61 -4.715 -6.175 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.715 -8.854 -8.272 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.843 -7.045 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.493 -9.053 -5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.194 -8.530 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.698 -9.930 -6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.072 -8.658 -7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.212 -9.519 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.730 -7.848 -8.731 1.00 0.00 H new ATOM 939 N ASP A 62 -7.533 -7.898 -6.874 1.00 0.00 N ATOM 940 CA ASP A 62 -8.689 -7.371 -6.150 1.00 0.00 C ATOM 941 C ASP A 62 -9.402 -6.312 -6.992 1.00 0.00 C ATOM 942 O ASP A 62 -10.354 -6.619 -7.709 1.00 0.00 O ATOM 943 CB ASP A 62 -8.280 -6.804 -4.779 1.00 0.00 C ATOM 944 CG ASP A 62 -9.461 -6.549 -3.860 1.00 0.00 C ATOM 945 OD1 ASP A 62 -10.274 -5.642 -4.148 1.00 0.00 O ATOM 946 OD2 ASP A 62 -9.565 -7.244 -2.828 1.00 0.00 O ATOM 0 H ASP A 62 -7.623 -8.881 -7.132 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.381 -8.193 -5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.595 -7.500 -4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.735 -5.872 -4.927 1.00 0.00 H new ATOM 952 N GLY A 63 -8.917 -5.084 -6.934 1.00 0.00 N ATOM 953 CA GLY A 63 -9.498 -4.014 -7.722 1.00 0.00 C ATOM 954 C GLY A 63 -8.458 -3.017 -8.190 1.00 0.00 C ATOM 955 O GLY A 63 -8.785 -2.022 -8.838 1.00 0.00 O ATOM 0 H GLY A 63 -8.127 -4.805 -6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.007 -4.438 -8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.253 -3.497 -7.129 1.00 0.00 H new ATOM 959 N GLU A 64 -7.199 -3.284 -7.868 1.00 0.00 N ATOM 960 CA GLU A 64 -6.113 -2.397 -8.236 1.00 0.00 C ATOM 961 C GLU A 64 -5.206 -3.046 -9.271 1.00 0.00 C ATOM 962 O GLU A 64 -5.101 -4.273 -9.340 1.00 0.00 O ATOM 963 CB GLU A 64 -5.297 -2.033 -6.999 1.00 0.00 C ATOM 964 CG GLU A 64 -6.015 -1.103 -6.042 1.00 0.00 C ATOM 965 CD GLU A 64 -6.185 0.289 -6.614 1.00 0.00 C ATOM 966 OE1 GLU A 64 -7.307 0.830 -6.554 1.00 0.00 O ATOM 967 OE2 GLU A 64 -5.199 0.838 -7.152 1.00 0.00 O ATOM 0 H GLU A 64 -6.908 -4.113 -7.350 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.544 -1.494 -8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.030 -2.948 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.365 -1.564 -7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.994 -1.517 -5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.456 -1.044 -5.108 1.00 0.00 H new ATOM 975 N THR A 65 -4.564 -2.218 -10.076 1.00 0.00 N ATOM 976 CA THR A 65 -3.562 -2.687 -11.011 1.00 0.00 C ATOM 977 C THR A 65 -2.179 -2.437 -10.427 1.00 0.00 C ATOM 978 O THR A 65 -1.770 -1.290 -10.225 1.00 0.00 O ATOM 979 CB THR A 65 -3.688 -1.984 -12.370 1.00 0.00 C ATOM 980 OG1 THR A 65 -5.063 -1.969 -12.778 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.849 -2.687 -13.428 1.00 0.00 C ATOM 0 H THR A 65 -4.722 -1.211 -10.099 1.00 0.00 H new ATOM 0 HA THR A 65 -3.714 -3.754 -11.173 1.00 0.00 H new ATOM 0 HB THR A 65 -3.322 -0.963 -12.264 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.142 -1.518 -13.645 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.956 -2.169 -14.381 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.802 -2.679 -13.126 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.188 -3.718 -13.535 1.00 0.00 H new ATOM 989 N TRP A 66 -1.481 -3.513 -10.139 1.00 0.00 N ATOM 990 CA TRP A 66 -0.194 -3.448 -9.469 1.00 0.00 C ATOM 991 C TRP A 66 0.926 -3.781 -10.436 1.00 0.00 C ATOM 992 O TRP A 66 0.687 -4.342 -11.504 1.00 0.00 O ATOM 993 CB TRP A 66 -0.147 -4.440 -8.306 1.00 0.00 C ATOM 994 CG TRP A 66 -1.243 -4.272 -7.298 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.502 -4.798 -7.357 1.00 0.00 C ATOM 996 CD2 TRP A 66 -1.170 -3.548 -6.067 1.00 0.00 C ATOM 997 NE1 TRP A 66 -3.216 -4.440 -6.241 1.00 0.00 N ATOM 998 CE2 TRP A 66 -2.421 -3.671 -5.434 1.00 0.00 C ATOM 999 CE3 TRP A 66 -0.167 -2.805 -5.440 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -2.695 -3.078 -4.205 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 -0.440 -2.218 -4.221 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -1.694 -2.359 -3.612 1.00 0.00 C ATOM 0 H TRP A 66 -1.787 -4.460 -10.361 1.00 0.00 H new ATOM 0 HA TRP A 66 -0.064 -2.433 -9.093 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.192 -5.452 -8.707 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.813 -4.341 -7.799 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.881 -5.407 -8.164 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.182 -4.704 -6.045 1.00 0.00 H new ATOM 0 HE3 TRP A 66 0.803 -2.692 -5.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -3.663 -3.182 -3.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 0.327 -1.639 -3.728 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -1.874 -1.891 -2.656 1.00 0.00 H new ATOM 1013 N ARG A 67 2.147 -3.445 -10.056 1.00 0.00 N ATOM 1014 CA ARG A 67 3.309 -3.852 -10.817 1.00 0.00 C ATOM 1015 C ARG A 67 3.790 -5.174 -10.262 1.00 0.00 C ATOM 1016 O ARG A 67 3.739 -5.399 -9.056 1.00 0.00 O ATOM 1017 CB ARG A 67 4.443 -2.826 -10.741 1.00 0.00 C ATOM 1018 CG ARG A 67 4.034 -1.400 -11.067 1.00 0.00 C ATOM 1019 CD ARG A 67 3.349 -0.755 -9.879 1.00 0.00 C ATOM 1020 NE ARG A 67 3.105 0.674 -10.061 1.00 0.00 N ATOM 1021 CZ ARG A 67 2.415 1.422 -9.200 1.00 0.00 C ATOM 1022 NH1 ARG A 67 1.913 0.876 -8.096 1.00 0.00 N ATOM 1023 NH2 ARG A 67 2.222 2.715 -9.439 1.00 0.00 N ATOM 0 H ARG A 67 2.356 -2.892 -9.225 1.00 0.00 H new ATOM 0 HA ARG A 67 3.024 -3.938 -11.866 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.867 -2.847 -9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.234 -3.128 -11.427 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.913 -0.819 -11.346 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.363 -1.396 -11.926 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.400 -1.259 -9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.963 -0.902 -8.990 1.00 0.00 H new ATOM 0 HE ARG A 67 3.484 1.125 -10.894 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.056 -0.116 -7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.385 1.449 -7.438 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.603 3.140 -10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.693 3.283 -8.777 1.00 0.00 H new ATOM 1037 N ALA A 68 4.261 -6.036 -11.125 1.00 0.00 N ATOM 1038 CA ALA A 68 4.614 -7.385 -10.711 1.00 0.00 C ATOM 1039 C ALA A 68 5.895 -7.866 -11.362 1.00 0.00 C ATOM 1040 O ALA A 68 6.264 -7.423 -12.452 1.00 0.00 O ATOM 1041 CB ALA A 68 3.478 -8.345 -11.019 1.00 0.00 C ATOM 0 H ALA A 68 4.411 -5.838 -12.114 1.00 0.00 H new ATOM 0 HA ALA A 68 4.784 -7.359 -9.635 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.756 -9.351 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.582 -8.032 -10.484 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.280 -8.342 -12.091 1.00 0.00 H new ATOM 1047 N THR A 69 6.578 -8.761 -10.668 1.00 0.00 N ATOM 1048 CA THR A 69 7.776 -9.392 -11.181 1.00 0.00 C ATOM 1049 C THR A 69 7.832 -10.841 -10.701 1.00 0.00 C ATOM 1050 O THR A 69 7.175 -11.204 -9.724 1.00 0.00 O ATOM 1051 CB THR A 69 9.039 -8.653 -10.706 1.00 0.00 C ATOM 1052 OG1 THR A 69 8.782 -7.246 -10.625 1.00 0.00 O ATOM 1053 CG2 THR A 69 10.197 -8.891 -11.659 1.00 0.00 C ATOM 0 H THR A 69 6.315 -9.069 -9.732 1.00 0.00 H new ATOM 0 HA THR A 69 7.742 -9.356 -12.270 1.00 0.00 H new ATOM 0 HB THR A 69 9.305 -9.039 -9.722 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.590 -6.783 -10.321 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.078 -8.358 -11.301 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.414 -9.958 -11.709 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.932 -8.528 -12.652 1.00 0.00 H new ATOM 1061 N SER A 70 8.607 -11.662 -11.390 1.00 0.00 N ATOM 1062 CA SER A 70 8.743 -13.066 -11.022 1.00 0.00 C ATOM 1063 C SER A 70 10.111 -13.598 -11.430 1.00 0.00 C ATOM 1064 O SER A 70 10.383 -14.795 -11.344 1.00 0.00 O ATOM 1065 CB SER A 70 7.641 -13.887 -11.695 1.00 0.00 C ATOM 1066 OG SER A 70 7.474 -15.152 -11.077 1.00 0.00 O ATOM 0 H SER A 70 9.152 -11.384 -12.206 1.00 0.00 H new ATOM 0 HA SER A 70 8.648 -13.153 -9.940 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.701 -13.336 -11.655 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.884 -14.026 -12.748 1.00 0.00 H new ATOM 0 HG SER A 70 6.859 -15.067 -10.319 1.00 0.00 H new ATOM 1072 N GLY A 71 10.975 -12.698 -11.872 1.00 0.00 N ATOM 1073 CA GLY A 71 12.268 -13.099 -12.399 1.00 0.00 C ATOM 1074 C GLY A 71 12.165 -13.684 -13.798 1.00 0.00 C ATOM 1075 O GLY A 71 13.022 -13.444 -14.648 1.00 0.00 O ATOM 0 H GLY A 71 10.806 -11.692 -11.876 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.934 -12.236 -12.417 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.717 -13.835 -11.732 1.00 0.00 H new ATOM 1079 N THR A 72 11.100 -14.437 -14.035 1.00 0.00 N ATOM 1080 CA THR A 72 10.870 -15.075 -15.318 1.00 0.00 C ATOM 1081 C THR A 72 9.758 -14.335 -16.064 1.00 0.00 C ATOM 1082 O THR A 72 9.112 -13.452 -15.499 1.00 0.00 O ATOM 1083 CB THR A 72 10.495 -16.561 -15.118 1.00 0.00 C ATOM 1084 OG1 THR A 72 11.260 -17.104 -14.030 1.00 0.00 O ATOM 1085 CG2 THR A 72 10.765 -17.387 -16.370 1.00 0.00 C ATOM 0 H THR A 72 10.374 -14.621 -13.343 1.00 0.00 H new ATOM 0 HA THR A 72 11.784 -15.032 -15.911 1.00 0.00 H new ATOM 0 HB THR A 72 9.428 -16.607 -14.901 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.022 -18.046 -13.901 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.488 -18.425 -16.188 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.176 -16.995 -17.199 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.825 -17.333 -16.620 1.00 0.00 H new ATOM 1093 N VAL A 73 9.546 -14.687 -17.324 1.00 0.00 N ATOM 1094 CA VAL A 73 8.568 -14.002 -18.157 1.00 0.00 C ATOM 1095 C VAL A 73 7.168 -14.594 -17.972 1.00 0.00 C ATOM 1096 O VAL A 73 6.991 -15.813 -17.937 1.00 0.00 O ATOM 1097 CB VAL A 73 8.974 -14.050 -19.652 1.00 0.00 C ATOM 1098 CG1 VAL A 73 9.096 -15.484 -20.148 1.00 0.00 C ATOM 1099 CG2 VAL A 73 7.991 -13.265 -20.511 1.00 0.00 C ATOM 0 H VAL A 73 10.040 -15.446 -17.793 1.00 0.00 H new ATOM 0 HA VAL A 73 8.545 -12.960 -17.838 1.00 0.00 H new ATOM 0 HB VAL A 73 9.954 -13.581 -19.741 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.382 -15.482 -21.200 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.855 -16.007 -19.566 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.138 -15.991 -20.033 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.300 -13.315 -21.555 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.994 -13.693 -20.406 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.975 -12.224 -20.187 1.00 0.00 H new ATOM 1109 N LEU A 74 6.190 -13.710 -17.819 1.00 0.00 N ATOM 1110 CA LEU A 74 4.789 -14.098 -17.720 1.00 0.00 C ATOM 1111 C LEU A 74 3.976 -13.287 -18.721 1.00 0.00 C ATOM 1112 O LEU A 74 4.110 -12.064 -18.786 1.00 0.00 O ATOM 1113 CB LEU A 74 4.259 -13.864 -16.301 1.00 0.00 C ATOM 1114 CG LEU A 74 4.938 -14.686 -15.203 1.00 0.00 C ATOM 1115 CD1 LEU A 74 4.457 -14.242 -13.829 1.00 0.00 C ATOM 1116 CD2 LEU A 74 4.668 -16.169 -15.408 1.00 0.00 C ATOM 0 H LEU A 74 6.346 -12.704 -17.760 1.00 0.00 H new ATOM 0 HA LEU A 74 4.697 -15.161 -17.944 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.369 -12.807 -16.060 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.192 -14.085 -16.289 1.00 0.00 H new ATOM 0 HG LEU A 74 6.013 -14.518 -15.261 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.950 -14.837 -13.061 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.697 -13.189 -13.682 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.378 -14.381 -13.759 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.157 -16.740 -14.619 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.594 -16.351 -15.375 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.059 -16.479 -16.377 1.00 0.00 H new ATOM 1128 N ASP A 75 3.135 -13.958 -19.492 1.00 0.00 N ATOM 1129 CA ASP A 75 2.433 -13.297 -20.586 1.00 0.00 C ATOM 1130 C ASP A 75 1.093 -12.741 -20.123 1.00 0.00 C ATOM 1131 O ASP A 75 0.699 -12.909 -18.968 1.00 0.00 O ATOM 1132 CB ASP A 75 2.225 -14.259 -21.757 1.00 0.00 C ATOM 1133 CG ASP A 75 2.230 -13.547 -23.095 1.00 0.00 C ATOM 1134 OD1 ASP A 75 3.242 -13.645 -23.822 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.234 -12.876 -23.426 1.00 0.00 O ATOM 0 H ASP A 75 2.922 -14.950 -19.384 1.00 0.00 H new ATOM 0 HA ASP A 75 3.053 -12.465 -20.921 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.010 -15.015 -21.747 1.00 0.00 H new ATOM 0 HB3 ASP A 75 1.277 -14.783 -21.630 1.00 0.00 H new ATOM 1141 N VAL A 76 0.392 -12.102 -21.042 1.00 0.00 N ATOM 1142 CA VAL A 76 -0.858 -11.425 -20.737 1.00 0.00 C ATOM 1143 C VAL A 76 -2.009 -12.423 -20.694 1.00 0.00 C ATOM 1144 O VAL A 76 -2.100 -13.323 -21.530 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.168 -10.325 -21.779 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -2.447 -9.583 -21.428 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.002 -9.354 -21.893 1.00 0.00 C ATOM 0 H VAL A 76 0.672 -12.037 -22.021 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.748 -10.957 -19.759 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.314 -10.808 -22.745 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.640 -8.816 -22.178 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.280 -10.285 -21.405 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.339 -9.115 -20.449 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.238 -8.587 -22.631 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.176 -8.884 -20.926 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.892 -9.894 -22.204 1.00 0.00 H new ATOM 1157 N GLY A 77 -2.880 -12.268 -19.705 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.010 -13.163 -19.567 1.00 0.00 C ATOM 1159 C GLY A 77 -3.746 -14.265 -18.565 1.00 0.00 C ATOM 1160 O GLY A 77 -4.638 -15.056 -18.252 1.00 0.00 O ATOM 0 H GLY A 77 -2.823 -11.537 -18.996 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.886 -12.594 -19.256 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.243 -13.604 -20.536 1.00 0.00 H new ATOM 1164 N GLU A 78 -2.515 -14.324 -18.074 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.130 -15.314 -17.092 1.00 0.00 C ATOM 1166 C GLU A 78 -2.718 -15.019 -15.722 1.00 0.00 C ATOM 1167 O GLU A 78 -3.168 -13.906 -15.444 1.00 0.00 O ATOM 1168 CB GLU A 78 -0.618 -15.369 -16.985 1.00 0.00 C ATOM 1169 CG GLU A 78 0.027 -16.262 -18.016 1.00 0.00 C ATOM 1170 CD GLU A 78 -0.414 -17.704 -17.880 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -0.879 -18.286 -18.881 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -0.309 -18.261 -16.770 1.00 0.00 O ATOM 0 H GLU A 78 -1.764 -13.689 -18.346 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.522 -16.275 -17.426 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.218 -14.360 -17.088 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.345 -15.720 -15.990 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.222 -15.900 -19.014 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.111 -16.204 -17.917 1.00 0.00 H new ATOM 1180 N GLU A 79 -2.675 -16.031 -14.874 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.157 -15.934 -13.507 1.00 0.00 C ATOM 1182 C GLU A 79 -2.012 -16.170 -12.544 1.00 0.00 C ATOM 1183 O GLU A 79 -1.355 -17.216 -12.586 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.241 -16.977 -13.258 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.499 -16.759 -14.075 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.477 -15.831 -13.386 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -7.453 -16.329 -12.786 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -6.268 -14.606 -13.414 1.00 0.00 O ATOM 0 H GLU A 79 -2.302 -16.949 -15.116 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.571 -14.938 -13.351 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.840 -17.965 -13.483 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.501 -16.972 -12.199 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.231 -16.345 -15.047 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.981 -17.719 -14.260 1.00 0.00 H new ATOM 1196 N VAL A 80 -1.773 -15.214 -11.672 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.677 -15.333 -10.718 1.00 0.00 C ATOM 1198 C VAL A 80 -1.159 -15.120 -9.292 1.00 0.00 C ATOM 1199 O VAL A 80 -2.242 -14.586 -9.064 1.00 0.00 O ATOM 1200 CB VAL A 80 0.473 -14.344 -11.023 1.00 0.00 C ATOM 1201 CG1 VAL A 80 1.077 -14.622 -12.391 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.005 -12.902 -10.928 1.00 0.00 C ATOM 0 H VAL A 80 -2.313 -14.352 -11.599 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.293 -16.348 -10.820 1.00 0.00 H new ATOM 0 HB VAL A 80 1.249 -14.491 -10.271 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.883 -13.914 -12.583 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.472 -15.638 -12.415 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.309 -14.514 -13.157 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.824 -12.229 -11.147 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.807 -12.736 -11.647 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.375 -12.707 -9.921 1.00 0.00 H new ATOM 1212 N SER A 81 -0.367 -15.578 -8.341 1.00 0.00 N ATOM 1213 CA SER A 81 -0.656 -15.368 -6.933 1.00 0.00 C ATOM 1214 C SER A 81 0.381 -14.437 -6.314 1.00 0.00 C ATOM 1215 O SER A 81 1.583 -14.621 -6.510 1.00 0.00 O ATOM 1216 CB SER A 81 -0.665 -16.708 -6.202 1.00 0.00 C ATOM 1217 OG SER A 81 -1.526 -17.625 -6.850 1.00 0.00 O ATOM 0 H SER A 81 0.489 -16.103 -8.520 1.00 0.00 H new ATOM 0 HA SER A 81 -1.638 -14.905 -6.838 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.346 -17.114 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.989 -16.564 -5.171 1.00 0.00 H new ATOM 0 HG SER A 81 -1.517 -18.478 -6.368 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.085 -13.440 -5.580 1.00 0.00 N ATOM 1224 CA VAL A 82 0.805 -12.474 -4.949 1.00 0.00 C ATOM 1225 C VAL A 82 1.211 -12.961 -3.565 1.00 0.00 C ATOM 1226 O VAL A 82 0.393 -12.984 -2.649 1.00 0.00 O ATOM 1227 CB VAL A 82 0.133 -11.093 -4.817 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.097 -10.073 -4.236 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.404 -10.630 -6.162 1.00 0.00 C ATOM 0 H VAL A 82 -1.076 -13.277 -5.405 1.00 0.00 H new ATOM 0 HA VAL A 82 1.686 -12.376 -5.583 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.707 -11.187 -4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.598 -9.107 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.421 -10.400 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.964 -9.979 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.875 -9.653 -6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.417 -10.557 -6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.139 -11.347 -6.527 1.00 0.00 H new ATOM 1239 N LYS A 83 2.463 -13.370 -3.416 1.00 0.00 N ATOM 1240 CA LYS A 83 2.934 -13.878 -2.144 1.00 0.00 C ATOM 1241 C LYS A 83 3.644 -12.807 -1.324 1.00 0.00 C ATOM 1242 O LYS A 83 3.503 -12.760 -0.101 1.00 0.00 O ATOM 1243 CB LYS A 83 3.851 -15.072 -2.357 1.00 0.00 C ATOM 1244 CG LYS A 83 3.109 -16.398 -2.402 1.00 0.00 C ATOM 1245 CD LYS A 83 4.068 -17.566 -2.278 1.00 0.00 C ATOM 1246 CE LYS A 83 3.345 -18.905 -2.287 1.00 0.00 C ATOM 1247 NZ LYS A 83 2.701 -19.186 -3.596 1.00 0.00 N ATOM 0 H LYS A 83 3.164 -13.359 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 83 2.058 -14.194 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.400 -14.938 -3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.588 -15.103 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.378 -16.437 -1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.555 -16.476 -3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.784 -17.536 -3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.639 -17.469 -1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.053 -19.700 -2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.588 -18.913 -1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.308 -20.149 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.936 -18.501 -3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.407 -19.105 -4.355 1.00 0.00 H new ATOM 1261 N ALA A 84 4.402 -11.944 -1.990 1.00 0.00 N ATOM 1262 CA ALA A 84 5.175 -10.923 -1.294 1.00 0.00 C ATOM 1263 C ALA A 84 5.255 -9.641 -2.108 1.00 0.00 C ATOM 1264 O ALA A 84 4.859 -9.608 -3.273 1.00 0.00 O ATOM 1265 CB ALA A 84 6.574 -11.443 -0.987 1.00 0.00 C ATOM 0 H ALA A 84 4.498 -11.931 -3.005 1.00 0.00 H new ATOM 0 HA ALA A 84 4.667 -10.694 -0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.143 -10.672 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.503 -12.329 -0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.079 -11.700 -1.918 1.00 0.00 H new ATOM 1271 N ILE A 85 5.770 -8.590 -1.482 1.00 0.00 N ATOM 1272 CA ILE A 85 5.913 -7.292 -2.129 1.00 0.00 C ATOM 1273 C ILE A 85 7.356 -6.812 -2.027 1.00 0.00 C ATOM 1274 O ILE A 85 7.948 -6.841 -0.950 1.00 0.00 O ATOM 1275 CB ILE A 85 4.990 -6.234 -1.484 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.542 -6.734 -1.457 1.00 0.00 C ATOM 1277 CG2 ILE A 85 5.085 -4.908 -2.231 1.00 0.00 C ATOM 1278 CD1 ILE A 85 2.574 -5.760 -0.823 1.00 0.00 C ATOM 0 H ILE A 85 6.099 -8.613 -0.517 1.00 0.00 H new ATOM 0 HA ILE A 85 5.630 -7.415 -3.174 1.00 0.00 H new ATOM 0 HB ILE A 85 5.319 -6.071 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.219 -6.941 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.503 -7.678 -0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.427 -4.177 -1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.112 -4.545 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.783 -5.052 -3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.569 -6.182 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.871 -5.571 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.583 -4.823 -1.380 1.00 0.00 H new ATOM 1290 N GLU A 86 7.914 -6.369 -3.142 1.00 0.00 N ATOM 1291 CA GLU A 86 9.268 -5.843 -3.166 1.00 0.00 C ATOM 1292 C GLU A 86 9.229 -4.399 -3.652 1.00 0.00 C ATOM 1293 O GLU A 86 9.191 -4.132 -4.861 1.00 0.00 O ATOM 1294 CB GLU A 86 10.167 -6.713 -4.058 1.00 0.00 C ATOM 1295 CG GLU A 86 11.659 -6.425 -3.921 1.00 0.00 C ATOM 1296 CD GLU A 86 12.151 -5.346 -4.866 1.00 0.00 C ATOM 1297 OE1 GLU A 86 12.209 -4.169 -4.461 1.00 0.00 O ATOM 1298 OE2 GLU A 86 12.477 -5.676 -6.030 1.00 0.00 O ATOM 0 H GLU A 86 7.446 -6.364 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 86 9.692 -5.865 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.988 -7.762 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.875 -6.568 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.871 -6.124 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.218 -7.343 -4.106 1.00 0.00 H new ATOM 1306 N GLY A 87 9.183 -3.478 -2.699 1.00 0.00 N ATOM 1307 CA GLY A 87 9.088 -2.072 -3.023 1.00 0.00 C ATOM 1308 C GLY A 87 7.703 -1.695 -3.501 1.00 0.00 C ATOM 1309 O GLY A 87 6.737 -1.734 -2.742 1.00 0.00 O ATOM 0 H GLY A 87 9.210 -3.684 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.343 -1.479 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.818 -1.827 -3.795 1.00 0.00 H new ATOM 1313 N VAL A 88 7.611 -1.339 -4.767 1.00 0.00 N ATOM 1314 CA VAL A 88 6.336 -0.998 -5.377 1.00 0.00 C ATOM 1315 C VAL A 88 5.895 -2.124 -6.320 1.00 0.00 C ATOM 1316 O VAL A 88 4.843 -2.058 -6.959 1.00 0.00 O ATOM 1317 CB VAL A 88 6.437 0.343 -6.146 1.00 0.00 C ATOM 1318 CG1 VAL A 88 7.304 0.196 -7.389 1.00 0.00 C ATOM 1319 CG2 VAL A 88 5.057 0.888 -6.495 1.00 0.00 C ATOM 0 H VAL A 88 8.409 -1.277 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 88 5.591 -0.881 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 88 6.918 1.067 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.358 1.152 -7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.307 -0.116 -7.098 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.868 -0.553 -8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.163 1.829 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.530 0.169 -7.122 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.490 1.056 -5.579 1.00 0.00 H new ATOM 1329 N LYS A 89 6.707 -3.173 -6.385 1.00 0.00 N ATOM 1330 CA LYS A 89 6.433 -4.299 -7.265 1.00 0.00 C ATOM 1331 C LYS A 89 6.021 -5.508 -6.439 1.00 0.00 C ATOM 1332 O LYS A 89 6.411 -5.633 -5.279 1.00 0.00 O ATOM 1333 CB LYS A 89 7.672 -4.647 -8.093 1.00 0.00 C ATOM 1334 CG LYS A 89 8.348 -3.442 -8.727 1.00 0.00 C ATOM 1335 CD LYS A 89 9.583 -3.842 -9.517 1.00 0.00 C ATOM 1336 CE LYS A 89 10.536 -4.701 -8.694 1.00 0.00 C ATOM 1337 NZ LYS A 89 10.890 -4.071 -7.393 1.00 0.00 N ATOM 0 H LYS A 89 7.562 -3.266 -5.837 1.00 0.00 H new ATOM 0 HA LYS A 89 5.623 -4.022 -7.941 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.391 -5.160 -7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.387 -5.347 -8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.643 -2.934 -9.385 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.628 -2.731 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.280 -4.390 -10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.103 -2.946 -9.855 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.078 -5.673 -8.511 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.446 -4.880 -9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.810 -4.434 -7.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.947 -3.039 -7.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.161 -4.299 -6.687 1.00 0.00 H new ATOM 1351 N LEU A 90 5.244 -6.394 -7.029 1.00 0.00 N ATOM 1352 CA LEU A 90 4.806 -7.589 -6.334 1.00 0.00 C ATOM 1353 C LEU A 90 5.638 -8.782 -6.759 1.00 0.00 C ATOM 1354 O LEU A 90 6.064 -8.879 -7.911 1.00 0.00 O ATOM 1355 CB LEU A 90 3.334 -7.882 -6.622 1.00 0.00 C ATOM 1356 CG LEU A 90 2.360 -6.743 -6.334 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.937 -7.192 -6.613 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.497 -6.268 -4.898 1.00 0.00 C ATOM 0 H LEU A 90 4.903 -6.310 -7.987 1.00 0.00 H new ATOM 0 HA LEU A 90 4.932 -7.414 -5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.237 -8.161 -7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.034 -8.749 -6.033 1.00 0.00 H new ATOM 0 HG LEU A 90 2.600 -5.907 -6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.249 -6.372 -6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.846 -7.485 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.692 -8.042 -5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.793 -5.456 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.283 -7.094 -4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.513 -5.913 -4.728 1.00 0.00 H new ATOM 1370 N VAL A 91 5.863 -9.683 -5.824 1.00 0.00 N ATOM 1371 CA VAL A 91 6.533 -10.935 -6.111 1.00 0.00 C ATOM 1372 C VAL A 91 5.476 -12.008 -6.308 1.00 0.00 C ATOM 1373 O VAL A 91 4.899 -12.514 -5.340 1.00 0.00 O ATOM 1374 CB VAL A 91 7.495 -11.349 -4.977 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.235 -12.627 -5.337 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.478 -10.229 -4.669 1.00 0.00 C ATOM 0 H VAL A 91 5.588 -9.569 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 91 7.134 -10.811 -7.012 1.00 0.00 H new ATOM 0 HB VAL A 91 6.902 -11.539 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.907 -12.900 -4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.516 -13.430 -5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.813 -12.469 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.147 -10.542 -3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.062 -10.002 -5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.930 -9.339 -4.358 1.00 0.00 H new ATOM 1386 N VAL A 92 5.197 -12.317 -7.561 1.00 0.00 N ATOM 1387 CA VAL A 92 4.099 -13.204 -7.896 1.00 0.00 C ATOM 1388 C VAL A 92 4.601 -14.515 -8.479 1.00 0.00 C ATOM 1389 O VAL A 92 5.709 -14.589 -9.011 1.00 0.00 O ATOM 1390 CB VAL A 92 3.129 -12.543 -8.899 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.489 -11.305 -8.289 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.840 -12.190 -10.202 1.00 0.00 C ATOM 0 H VAL A 92 5.717 -11.966 -8.365 1.00 0.00 H new ATOM 0 HA VAL A 92 3.567 -13.409 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 92 2.343 -13.263 -9.128 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.809 -10.854 -9.011 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.934 -11.586 -7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.265 -10.587 -8.024 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.132 -11.726 -10.889 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.654 -11.495 -9.996 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.243 -13.096 -10.654 1.00 0.00 H new ATOM 1402 N GLU A 93 3.775 -15.541 -8.371 1.00 0.00 N ATOM 1403 CA GLU A 93 4.063 -16.831 -8.970 1.00 0.00 C ATOM 1404 C GLU A 93 2.844 -17.265 -9.753 1.00 0.00 C ATOM 1405 O GLU A 93 1.741 -16.796 -9.485 1.00 0.00 O ATOM 1406 CB GLU A 93 4.382 -17.889 -7.909 1.00 0.00 C ATOM 1407 CG GLU A 93 5.476 -17.494 -6.933 1.00 0.00 C ATOM 1408 CD GLU A 93 5.709 -18.553 -5.875 1.00 0.00 C ATOM 1409 OE1 GLU A 93 4.744 -18.904 -5.165 1.00 0.00 O ATOM 1410 OE2 GLU A 93 6.855 -19.031 -5.739 1.00 0.00 O ATOM 0 H GLU A 93 2.889 -15.503 -7.867 1.00 0.00 H new ATOM 0 HA GLU A 93 4.937 -16.734 -9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.474 -18.107 -7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.676 -18.811 -8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.403 -17.319 -7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.208 -16.554 -6.451 1.00 0.00 H new ATOM 1418 N LYS A 94 3.029 -18.151 -10.707 1.00 0.00 N ATOM 1419 CA LYS A 94 1.910 -18.645 -11.487 1.00 0.00 C ATOM 1420 C LYS A 94 1.068 -19.589 -10.643 1.00 0.00 C ATOM 1421 O LYS A 94 1.594 -20.323 -9.802 1.00 0.00 O ATOM 1422 CB LYS A 94 2.399 -19.360 -12.749 1.00 0.00 C ATOM 1423 CG LYS A 94 1.276 -19.972 -13.574 1.00 0.00 C ATOM 1424 CD LYS A 94 1.787 -20.612 -14.852 1.00 0.00 C ATOM 1425 CE LYS A 94 0.691 -21.416 -15.540 1.00 0.00 C ATOM 1426 NZ LYS A 94 -0.555 -20.622 -15.724 1.00 0.00 N ATOM 0 H LYS A 94 3.935 -18.543 -10.962 1.00 0.00 H new ATOM 0 HA LYS A 94 1.299 -17.795 -11.792 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.949 -18.652 -13.368 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.099 -20.145 -12.464 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.756 -20.721 -12.977 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.548 -19.200 -13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.154 -19.839 -15.528 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.631 -21.263 -14.624 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.049 -21.759 -16.511 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.470 -22.305 -14.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.054 -20.952 -16.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.169 -20.743 -14.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.313 -19.616 -15.832 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.241 -19.525 -10.838 1.00 0.00 N ATOM 1441 CA LEU A 95 -1.147 -20.486 -10.234 1.00 0.00 C ATOM 1442 C LEU A 95 -0.709 -21.898 -10.584 1.00 0.00 C ATOM 1443 O LEU A 95 -0.285 -22.155 -11.717 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.573 -20.260 -10.724 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.495 -19.502 -9.771 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -3.104 -18.036 -9.683 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -4.944 -19.646 -10.210 1.00 0.00 C ATOM 0 H LEU A 95 -0.698 -18.816 -11.411 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.121 -20.352 -9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.530 -19.715 -11.667 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.021 -21.230 -10.937 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.388 -19.937 -8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.777 -17.520 -8.998 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.081 -17.954 -9.317 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.174 -17.581 -10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.589 -19.100 -9.521 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.062 -19.241 -11.215 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.221 -20.700 -10.209 1.00 0.00 H new