USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 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 Set 1.1: A 70 SER OG : rot 98:sc= 1.06 USER MOD Set 1.2: A 72 THR OG1 : rot 80:sc= 0.443 USER MOD Single : A 44 LYS NZ :NH3+ 155:sc= 1.26 (180deg=1.07) USER MOD Single : A 48 MET CE :methyl 142:sc= -1.41 (180deg=-4.33!) USER MOD Single : A 52 SER OG : rot -1:sc= 0.998 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 56 SER OG : rot -179:sc= -0.517 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 47:sc= 0.00751 USER MOD Single : A 81 SER OG : rot 180:sc= -0.631 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.0406 (180deg=-0.267) USER MOD Single : A 89 LYS NZ :NH3+ -138:sc= 1.25 (180deg=1.09) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -3.609 -8.905 0.581 1.00 0.00 N ATOM 601 CA LEU A 40 -3.367 -9.313 -0.792 1.00 0.00 C ATOM 602 C LEU A 40 -2.460 -10.538 -0.836 1.00 0.00 C ATOM 603 O LEU A 40 -2.448 -11.279 -1.821 1.00 0.00 O ATOM 604 CB LEU A 40 -2.719 -8.162 -1.562 1.00 0.00 C ATOM 605 CG LEU A 40 -3.461 -6.828 -1.494 1.00 0.00 C ATOM 606 CD1 LEU A 40 -2.719 -5.768 -2.291 1.00 0.00 C ATOM 607 CD2 LEU A 40 -4.882 -6.980 -2.003 1.00 0.00 C ATOM 0 HA LEU A 40 -4.320 -9.571 -1.254 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.708 -8.016 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.626 -8.454 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.504 -6.510 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.260 -4.824 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.718 -5.638 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.646 -6.081 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.394 -6.019 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.863 -7.321 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.412 -7.710 -1.391 1.00 0.00 H new ATOM 619 N ILE A 41 -1.711 -10.745 0.245 1.00 0.00 N ATOM 620 CA ILE A 41 -0.756 -11.840 0.321 1.00 0.00 C ATOM 621 C ILE A 41 -1.481 -13.176 0.401 1.00 0.00 C ATOM 622 O ILE A 41 -2.257 -13.423 1.324 1.00 0.00 O ATOM 623 CB ILE A 41 0.186 -11.691 1.537 1.00 0.00 C ATOM 624 CG1 ILE A 41 0.956 -10.366 1.464 1.00 0.00 C ATOM 625 CG2 ILE A 41 1.150 -12.872 1.620 1.00 0.00 C ATOM 626 CD1 ILE A 41 1.830 -10.234 0.236 1.00 0.00 C ATOM 0 H ILE A 41 -1.750 -10.164 1.082 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.153 -11.807 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.422 -11.684 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.244 -9.541 1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.578 -10.269 2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.804 -12.748 2.483 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.584 -13.797 1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.751 -12.915 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.342 -9.272 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.567 -11.037 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.212 -10.298 -0.659 1.00 0.00 H new ATOM 638 N GLY A 42 -1.239 -14.028 -0.586 1.00 0.00 N ATOM 639 CA GLY A 42 -1.839 -15.344 -0.587 1.00 0.00 C ATOM 640 C GLY A 42 -3.102 -15.407 -1.419 1.00 0.00 C ATOM 641 O GLY A 42 -3.847 -16.385 -1.354 1.00 0.00 O ATOM 0 H GLY A 42 -0.637 -13.830 -1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.119 -16.067 -0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.069 -15.635 0.438 1.00 0.00 H new ATOM 645 N ARG A 43 -3.360 -14.359 -2.191 1.00 0.00 N ATOM 646 CA ARG A 43 -4.521 -14.339 -3.063 1.00 0.00 C ATOM 647 C ARG A 43 -4.096 -14.451 -4.519 1.00 0.00 C ATOM 648 O ARG A 43 -2.902 -14.457 -4.833 1.00 0.00 O ATOM 649 CB ARG A 43 -5.346 -13.069 -2.870 1.00 0.00 C ATOM 650 CG ARG A 43 -5.750 -12.794 -1.428 1.00 0.00 C ATOM 651 CD ARG A 43 -6.949 -11.861 -1.354 1.00 0.00 C ATOM 652 NE ARG A 43 -6.907 -10.830 -2.391 1.00 0.00 N ATOM 653 CZ ARG A 43 -7.549 -9.665 -2.320 1.00 0.00 C ATOM 654 NH1 ARG A 43 -8.245 -9.335 -1.243 1.00 0.00 N ATOM 655 NH2 ARG A 43 -7.486 -8.821 -3.337 1.00 0.00 N ATOM 0 H ARG A 43 -2.784 -13.518 -2.229 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.141 -15.196 -2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.774 -12.219 -3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.247 -13.139 -3.480 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.988 -13.734 -0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.910 -12.352 -0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.866 -12.441 -1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.979 -11.387 -0.373 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.349 -11.016 -3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.295 -9.977 -0.452 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.731 -8.439 -1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.948 -9.064 -4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.975 -7.927 -3.289 1.00 0.00 H new ATOM 669 N LYS A 44 -5.079 -14.532 -5.402 1.00 0.00 N ATOM 670 CA LYS A 44 -4.833 -14.658 -6.823 1.00 0.00 C ATOM 671 C LYS A 44 -4.967 -13.303 -7.514 1.00 0.00 C ATOM 672 O LYS A 44 -5.770 -12.460 -7.102 1.00 0.00 O ATOM 673 CB LYS A 44 -5.826 -15.650 -7.430 1.00 0.00 C ATOM 674 CG LYS A 44 -5.569 -15.949 -8.897 1.00 0.00 C ATOM 675 CD LYS A 44 -6.683 -16.786 -9.507 1.00 0.00 C ATOM 676 CE LYS A 44 -8.009 -16.040 -9.506 1.00 0.00 C ATOM 677 NZ LYS A 44 -9.063 -16.777 -10.249 1.00 0.00 N ATOM 0 H LYS A 44 -6.067 -14.512 -5.150 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.817 -15.023 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.786 -16.582 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.835 -15.254 -7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.475 -15.013 -9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.621 -16.476 -9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.418 -17.056 -10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.788 -17.716 -8.948 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.334 -15.881 -8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.871 -15.056 -9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.999 -16.496 -9.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.995 -16.552 -11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.933 -17.800 -10.112 1.00 0.00 H new ATOM 691 N GLY A 45 -4.171 -13.101 -8.547 1.00 0.00 N ATOM 692 CA GLY A 45 -4.285 -11.921 -9.370 1.00 0.00 C ATOM 693 C GLY A 45 -4.267 -12.291 -10.835 1.00 0.00 C ATOM 694 O GLY A 45 -4.030 -13.448 -11.184 1.00 0.00 O ATOM 0 H GLY A 45 -3.435 -13.746 -8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.209 -11.394 -9.134 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.464 -11.238 -9.152 1.00 0.00 H new ATOM 698 N VAL A 46 -4.512 -11.325 -11.692 1.00 0.00 N ATOM 699 CA VAL A 46 -4.547 -11.575 -13.124 1.00 0.00 C ATOM 700 C VAL A 46 -3.533 -10.684 -13.842 1.00 0.00 C ATOM 701 O VAL A 46 -3.317 -9.535 -13.451 1.00 0.00 O ATOM 702 CB VAL A 46 -5.967 -11.353 -13.701 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.420 -9.914 -13.502 1.00 0.00 C ATOM 704 CG2 VAL A 46 -6.027 -11.738 -15.176 1.00 0.00 C ATOM 0 H VAL A 46 -4.691 -10.357 -11.426 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.280 -12.619 -13.290 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.651 -12.002 -13.154 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.420 -9.787 -13.917 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.436 -9.682 -12.437 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.729 -9.241 -14.010 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.036 -11.572 -15.555 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.322 -11.127 -15.740 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.766 -12.790 -15.288 1.00 0.00 H new ATOM 714 N VAL A 47 -2.913 -11.222 -14.883 1.00 0.00 N ATOM 715 CA VAL A 47 -1.893 -10.500 -15.635 1.00 0.00 C ATOM 716 C VAL A 47 -2.528 -9.605 -16.692 1.00 0.00 C ATOM 717 O VAL A 47 -3.230 -10.080 -17.585 1.00 0.00 O ATOM 718 CB VAL A 47 -0.907 -11.474 -16.314 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.210 -10.710 -17.011 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.331 -12.451 -15.299 1.00 0.00 C ATOM 0 H VAL A 47 -3.100 -12.163 -15.229 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.345 -9.881 -14.925 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.455 -12.043 -17.065 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.894 -11.415 -17.483 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.216 -10.054 -17.770 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.754 -10.112 -16.279 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.361 -13.129 -15.799 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.198 -11.899 -14.522 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.140 -13.026 -14.848 1.00 0.00 H new ATOM 730 N MET A 48 -2.286 -8.308 -16.577 1.00 0.00 N ATOM 731 CA MET A 48 -2.820 -7.340 -17.525 1.00 0.00 C ATOM 732 C MET A 48 -1.782 -7.034 -18.599 1.00 0.00 C ATOM 733 O MET A 48 -2.118 -6.794 -19.758 1.00 0.00 O ATOM 734 CB MET A 48 -3.225 -6.056 -16.797 1.00 0.00 C ATOM 735 CG MET A 48 -4.257 -6.248 -15.686 1.00 0.00 C ATOM 736 SD MET A 48 -5.959 -6.441 -16.277 1.00 0.00 S ATOM 737 CE MET A 48 -5.954 -8.107 -16.940 1.00 0.00 C ATOM 0 H MET A 48 -1.720 -7.899 -15.833 1.00 0.00 H new ATOM 0 HA MET A 48 -3.704 -7.763 -18.002 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.332 -5.600 -16.369 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.624 -5.352 -17.527 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.986 -7.127 -15.102 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.213 -5.392 -15.013 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.903 -8.592 -16.713 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.816 -8.068 -18.021 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.140 -8.675 -16.490 1.00 0.00 H new ATOM 747 N GLU A 49 -0.517 -7.052 -18.203 1.00 0.00 N ATOM 748 CA GLU A 49 0.583 -6.859 -19.137 1.00 0.00 C ATOM 749 C GLU A 49 1.621 -7.954 -18.925 1.00 0.00 C ATOM 750 O GLU A 49 1.940 -8.281 -17.781 1.00 0.00 O ATOM 751 CB GLU A 49 1.224 -5.482 -18.950 1.00 0.00 C ATOM 752 CG GLU A 49 2.267 -5.152 -20.007 1.00 0.00 C ATOM 753 CD GLU A 49 3.062 -3.906 -19.684 1.00 0.00 C ATOM 754 OE1 GLU A 49 4.214 -4.038 -19.224 1.00 0.00 O ATOM 755 OE2 GLU A 49 2.545 -2.788 -19.890 1.00 0.00 O ATOM 0 H GLU A 49 -0.226 -7.199 -17.236 1.00 0.00 H new ATOM 0 HA GLU A 49 0.195 -6.914 -20.154 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.444 -4.721 -18.970 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.689 -5.437 -17.965 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.950 -5.995 -20.111 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.772 -5.021 -20.969 1.00 0.00 H new ATOM 763 N ALA A 50 2.138 -8.503 -20.023 1.00 0.00 N ATOM 764 CA ALA A 50 3.068 -9.629 -19.971 1.00 0.00 C ATOM 765 C ALA A 50 4.249 -9.355 -19.043 1.00 0.00 C ATOM 766 O ALA A 50 4.826 -8.264 -19.051 1.00 0.00 O ATOM 767 CB ALA A 50 3.570 -9.968 -21.366 1.00 0.00 C ATOM 0 H ALA A 50 1.926 -8.182 -20.968 1.00 0.00 H new ATOM 0 HA ALA A 50 2.521 -10.481 -19.567 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.262 -10.809 -21.310 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.726 -10.235 -22.002 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.083 -9.104 -21.788 1.00 0.00 H new ATOM 773 N ILE A 51 4.600 -10.356 -18.249 1.00 0.00 N ATOM 774 CA ILE A 51 5.677 -10.229 -17.283 1.00 0.00 C ATOM 775 C ILE A 51 6.824 -11.163 -17.647 1.00 0.00 C ATOM 776 O ILE A 51 6.603 -12.333 -17.954 1.00 0.00 O ATOM 777 CB ILE A 51 5.193 -10.565 -15.853 1.00 0.00 C ATOM 778 CG1 ILE A 51 3.977 -9.714 -15.486 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.315 -10.345 -14.846 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.339 -10.096 -14.168 1.00 0.00 C ATOM 0 H ILE A 51 4.150 -11.271 -18.257 1.00 0.00 H new ATOM 0 HA ILE A 51 6.017 -9.194 -17.306 1.00 0.00 H new ATOM 0 HB ILE A 51 4.902 -11.615 -15.826 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.277 -8.667 -15.444 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.233 -9.800 -16.278 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.958 -10.586 -13.845 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.159 -10.989 -15.095 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.632 -9.303 -14.877 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.484 -9.448 -13.977 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.006 -11.133 -14.212 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.067 -9.982 -13.365 1.00 0.00 H new ATOM 792 N SER A 52 8.041 -10.642 -17.627 1.00 0.00 N ATOM 793 CA SER A 52 9.215 -11.453 -17.877 1.00 0.00 C ATOM 794 C SER A 52 10.278 -11.190 -16.818 1.00 0.00 C ATOM 795 O SER A 52 10.229 -10.176 -16.120 1.00 0.00 O ATOM 796 CB SER A 52 9.773 -11.181 -19.278 1.00 0.00 C ATOM 797 OG SER A 52 9.912 -9.788 -19.527 1.00 0.00 O ATOM 0 H SER A 52 8.238 -9.659 -17.440 1.00 0.00 H new ATOM 0 HA SER A 52 8.925 -12.502 -17.823 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.742 -11.668 -19.385 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.112 -11.620 -20.025 1.00 0.00 H new ATOM 0 HG SER A 52 9.604 -9.284 -18.745 1.00 0.00 H new ATOM 803 N PRO A 53 11.237 -12.116 -16.673 1.00 0.00 N ATOM 804 CA PRO A 53 12.372 -11.954 -15.759 1.00 0.00 C ATOM 805 C PRO A 53 13.177 -10.689 -16.051 1.00 0.00 C ATOM 806 O PRO A 53 13.856 -10.158 -15.171 1.00 0.00 O ATOM 807 CB PRO A 53 13.226 -13.197 -16.018 1.00 0.00 C ATOM 808 CG PRO A 53 12.283 -14.198 -16.588 1.00 0.00 C ATOM 809 CD PRO A 53 11.268 -13.415 -17.366 1.00 0.00 C ATOM 0 HA PRO A 53 12.045 -11.854 -14.724 1.00 0.00 H new ATOM 0 HB2 PRO A 53 14.039 -12.980 -16.711 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.681 -13.562 -15.097 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.807 -14.905 -17.231 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.806 -14.778 -15.798 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.559 -13.306 -18.411 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.292 -13.900 -17.355 1.00 0.00 H new ATOM 817 N GLN A 54 13.101 -10.217 -17.291 1.00 0.00 N ATOM 818 CA GLN A 54 13.797 -9.001 -17.685 1.00 0.00 C ATOM 819 C GLN A 54 12.891 -7.785 -17.534 1.00 0.00 C ATOM 820 O GLN A 54 13.222 -6.842 -16.817 1.00 0.00 O ATOM 821 CB GLN A 54 14.296 -9.099 -19.123 1.00 0.00 C ATOM 822 CG GLN A 54 15.192 -7.939 -19.534 1.00 0.00 C ATOM 823 CD GLN A 54 15.650 -8.030 -20.975 1.00 0.00 C ATOM 824 OE1 GLN A 54 15.787 -9.120 -21.530 1.00 0.00 O ATOM 825 NE2 GLN A 54 15.893 -6.885 -21.591 1.00 0.00 N ATOM 0 H GLN A 54 12.565 -10.658 -18.038 1.00 0.00 H new ATOM 0 HA GLN A 54 14.656 -8.884 -17.025 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.844 -10.033 -19.246 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.439 -9.142 -19.795 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.655 -7.002 -19.387 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.065 -7.912 -18.882 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.767 -6.002 -21.095 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.206 -6.885 -22.562 1.00 0.00 H new ATOM 834 N ASN A 55 11.749 -7.807 -18.209 1.00 0.00 N ATOM 835 CA ASN A 55 10.817 -6.690 -18.152 1.00 0.00 C ATOM 836 C ASN A 55 9.621 -7.043 -17.282 1.00 0.00 C ATOM 837 O ASN A 55 8.879 -7.983 -17.581 1.00 0.00 O ATOM 838 CB ASN A 55 10.338 -6.300 -19.555 1.00 0.00 C ATOM 839 CG ASN A 55 9.420 -5.089 -19.546 1.00 0.00 C ATOM 840 OD1 ASN A 55 9.545 -4.196 -18.704 1.00 0.00 O ATOM 841 ND2 ASN A 55 8.496 -5.046 -20.490 1.00 0.00 N ATOM 0 H ASN A 55 11.447 -8.582 -18.799 1.00 0.00 H new ATOM 0 HA ASN A 55 11.341 -5.840 -17.716 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.203 -6.090 -20.184 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.814 -7.144 -20.003 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.855 -4.255 -20.540 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.424 -5.804 -21.168 1.00 0.00 H new ATOM 848 N SER A 56 9.451 -6.294 -16.204 1.00 0.00 N ATOM 849 CA SER A 56 8.333 -6.499 -15.295 1.00 0.00 C ATOM 850 C SER A 56 7.019 -6.137 -15.987 1.00 0.00 C ATOM 851 O SER A 56 7.020 -5.417 -16.987 1.00 0.00 O ATOM 852 CB SER A 56 8.525 -5.642 -14.045 1.00 0.00 C ATOM 853 OG SER A 56 9.827 -5.821 -13.510 1.00 0.00 O ATOM 0 H SER A 56 10.077 -5.534 -15.936 1.00 0.00 H new ATOM 0 HA SER A 56 8.295 -7.549 -15.005 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.368 -4.592 -14.290 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.779 -5.909 -13.297 1.00 0.00 H new ATOM 0 HG SER A 56 9.927 -5.275 -12.702 1.00 0.00 H new ATOM 859 N GLY A 57 5.903 -6.620 -15.460 1.00 0.00 N ATOM 860 CA GLY A 57 4.622 -6.364 -16.092 1.00 0.00 C ATOM 861 C GLY A 57 3.595 -5.832 -15.119 1.00 0.00 C ATOM 862 O GLY A 57 3.932 -5.456 -13.994 1.00 0.00 O ATOM 0 H GLY A 57 5.860 -7.182 -14.610 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.756 -5.647 -16.902 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.251 -7.286 -16.540 1.00 0.00 H new ATOM 866 N LEU A 58 2.340 -5.819 -15.543 1.00 0.00 N ATOM 867 CA LEU A 58 1.262 -5.276 -14.733 1.00 0.00 C ATOM 868 C LEU A 58 0.227 -6.345 -14.416 1.00 0.00 C ATOM 869 O LEU A 58 -0.138 -7.146 -15.279 1.00 0.00 O ATOM 870 CB LEU A 58 0.579 -4.111 -15.453 1.00 0.00 C ATOM 871 CG LEU A 58 1.435 -2.865 -15.651 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.626 -1.763 -16.315 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.993 -2.379 -14.326 1.00 0.00 C ATOM 0 H LEU A 58 2.043 -6.181 -16.449 1.00 0.00 H new ATOM 0 HA LEU A 58 1.700 -4.918 -13.801 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.243 -4.458 -16.430 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.312 -3.832 -14.890 1.00 0.00 H new ATOM 0 HG LEU A 58 2.269 -3.127 -16.301 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.253 -0.881 -16.448 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.272 -2.107 -17.287 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.228 -1.509 -15.687 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.600 -1.489 -14.491 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.171 -2.137 -13.652 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.609 -3.161 -13.882 1.00 0.00 H new ATOM 885 N VAL A 59 -0.248 -6.349 -13.182 1.00 0.00 N ATOM 886 CA VAL A 59 -1.280 -7.284 -12.757 1.00 0.00 C ATOM 887 C VAL A 59 -2.413 -6.548 -12.061 1.00 0.00 C ATOM 888 O VAL A 59 -2.207 -5.484 -11.472 1.00 0.00 O ATOM 889 CB VAL A 59 -0.728 -8.370 -11.805 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.213 -9.306 -12.542 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.026 -7.738 -10.609 1.00 0.00 C ATOM 0 H VAL A 59 0.066 -5.711 -12.451 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.649 -7.773 -13.658 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.571 -8.954 -11.436 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.589 -10.062 -11.852 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.323 -9.793 -13.357 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.049 -8.736 -12.947 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.354 -8.522 -9.954 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.804 -7.123 -10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.733 -7.116 -10.059 1.00 0.00 H new ATOM 901 N LYS A 60 -3.610 -7.104 -12.143 1.00 0.00 N ATOM 902 CA LYS A 60 -4.758 -6.532 -11.463 1.00 0.00 C ATOM 903 C LYS A 60 -4.991 -7.273 -10.158 1.00 0.00 C ATOM 904 O LYS A 60 -5.273 -8.470 -10.155 1.00 0.00 O ATOM 905 CB LYS A 60 -6.012 -6.610 -12.335 1.00 0.00 C ATOM 906 CG LYS A 60 -7.227 -5.944 -11.706 1.00 0.00 C ATOM 907 CD LYS A 60 -7.507 -4.583 -12.324 1.00 0.00 C ATOM 908 CE LYS A 60 -7.978 -4.703 -13.771 1.00 0.00 C ATOM 909 NZ LYS A 60 -8.405 -3.390 -14.328 1.00 0.00 N ATOM 0 H LYS A 60 -3.811 -7.951 -12.674 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.552 -5.481 -11.261 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.807 -6.140 -13.297 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.243 -7.657 -12.534 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.099 -6.586 -11.830 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.065 -5.830 -10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.266 -4.066 -11.736 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.604 -3.974 -12.285 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.173 -5.112 -14.382 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.808 -5.407 -13.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.717 -3.515 -15.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.190 -3.011 -13.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.606 -2.725 -14.301 1.00 0.00 H new ATOM 923 N VAL A 61 -4.863 -6.558 -9.060 1.00 0.00 N ATOM 924 CA VAL A 61 -4.996 -7.148 -7.738 1.00 0.00 C ATOM 925 C VAL A 61 -5.907 -6.290 -6.874 1.00 0.00 C ATOM 926 O VAL A 61 -5.634 -5.105 -6.661 1.00 0.00 O ATOM 927 CB VAL A 61 -3.623 -7.299 -7.036 1.00 0.00 C ATOM 928 CG1 VAL A 61 -3.779 -7.906 -5.649 1.00 0.00 C ATOM 929 CG2 VAL A 61 -2.673 -8.142 -7.869 1.00 0.00 C ATOM 0 H VAL A 61 -4.665 -5.557 -9.054 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.427 -8.141 -7.865 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.199 -6.300 -6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.799 -8.000 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.413 -7.262 -5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.237 -8.892 -5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.717 -8.231 -7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.100 -9.134 -8.016 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.519 -7.666 -8.838 1.00 0.00 H new ATOM 939 N ASP A 62 -7.009 -6.891 -6.429 1.00 0.00 N ATOM 940 CA ASP A 62 -7.972 -6.245 -5.533 1.00 0.00 C ATOM 941 C ASP A 62 -8.731 -5.134 -6.254 1.00 0.00 C ATOM 942 O ASP A 62 -9.480 -4.375 -5.644 1.00 0.00 O ATOM 943 CB ASP A 62 -7.269 -5.689 -4.290 1.00 0.00 C ATOM 944 CG ASP A 62 -8.212 -5.489 -3.123 1.00 0.00 C ATOM 945 OD1 ASP A 62 -8.597 -6.496 -2.489 1.00 0.00 O ATOM 946 OD2 ASP A 62 -8.564 -4.333 -2.823 1.00 0.00 O ATOM 0 H ASP A 62 -7.262 -7.846 -6.681 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.691 -7.000 -5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.471 -6.370 -3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.799 -4.737 -4.539 1.00 0.00 H new ATOM 952 N GLY A 63 -8.546 -5.060 -7.563 1.00 0.00 N ATOM 953 CA GLY A 63 -9.221 -4.053 -8.351 1.00 0.00 C ATOM 954 C GLY A 63 -8.261 -3.027 -8.907 1.00 0.00 C ATOM 955 O GLY A 63 -8.568 -2.343 -9.885 1.00 0.00 O ATOM 0 H GLY A 63 -7.938 -5.683 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.753 -4.533 -9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.969 -3.553 -7.735 1.00 0.00 H new ATOM 959 N GLU A 64 -7.095 -2.923 -8.289 1.00 0.00 N ATOM 960 CA GLU A 64 -6.083 -1.975 -8.719 1.00 0.00 C ATOM 961 C GLU A 64 -5.042 -2.664 -9.588 1.00 0.00 C ATOM 962 O GLU A 64 -4.856 -3.876 -9.510 1.00 0.00 O ATOM 963 CB GLU A 64 -5.410 -1.329 -7.510 1.00 0.00 C ATOM 964 CG GLU A 64 -6.284 -0.307 -6.802 1.00 0.00 C ATOM 965 CD GLU A 64 -6.515 0.936 -7.640 1.00 0.00 C ATOM 966 OE1 GLU A 64 -5.756 1.916 -7.483 1.00 0.00 O ATOM 967 OE2 GLU A 64 -7.445 0.933 -8.473 1.00 0.00 O ATOM 0 H GLU A 64 -6.826 -3.488 -7.483 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.570 -1.197 -9.307 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.129 -2.108 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.488 -0.845 -7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.244 -0.761 -6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.816 -0.024 -5.859 1.00 0.00 H new ATOM 975 N THR A 65 -4.381 -1.888 -10.427 1.00 0.00 N ATOM 976 CA THR A 65 -3.344 -2.419 -11.289 1.00 0.00 C ATOM 977 C THR A 65 -1.972 -2.098 -10.711 1.00 0.00 C ATOM 978 O THR A 65 -1.616 -0.933 -10.543 1.00 0.00 O ATOM 979 CB THR A 65 -3.462 -1.838 -12.704 1.00 0.00 C ATOM 980 OG1 THR A 65 -4.846 -1.806 -13.086 1.00 0.00 O ATOM 981 CG2 THR A 65 -2.672 -2.674 -13.705 1.00 0.00 C ATOM 0 H THR A 65 -4.545 -0.886 -10.529 1.00 0.00 H new ATOM 0 HA THR A 65 -3.467 -3.500 -11.348 1.00 0.00 H new ATOM 0 HB THR A 65 -3.051 -0.829 -12.704 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.928 -1.434 -13.989 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.772 -2.241 -14.700 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.620 -2.686 -13.419 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.058 -3.693 -13.713 1.00 0.00 H new ATOM 989 N TRP A 66 -1.217 -3.130 -10.396 1.00 0.00 N ATOM 990 CA TRP A 66 0.091 -2.963 -9.787 1.00 0.00 C ATOM 991 C TRP A 66 1.166 -3.537 -10.690 1.00 0.00 C ATOM 992 O TRP A 66 0.868 -4.285 -11.623 1.00 0.00 O ATOM 993 CB TRP A 66 0.146 -3.664 -8.428 1.00 0.00 C ATOM 994 CG TRP A 66 -0.907 -3.214 -7.459 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.115 -3.810 -7.227 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.844 -2.081 -6.586 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.806 -3.118 -6.262 1.00 0.00 N ATOM 998 CE2 TRP A 66 -2.047 -2.049 -5.854 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.113 -1.090 -6.354 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -2.315 -1.067 -4.902 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 -0.156 -0.113 -5.415 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -1.359 -0.111 -4.695 1.00 0.00 C ATOM 0 H TRP A 66 -1.487 -4.101 -10.552 1.00 0.00 H new ATOM 0 HA TRP A 66 0.266 -1.896 -9.645 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.046 -4.738 -8.582 1.00 0.00 H new ATOM 0 HB3 TRP A 66 1.127 -3.495 -7.985 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.474 -4.696 -7.729 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.731 -3.359 -5.907 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.046 -1.088 -6.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -3.242 -1.061 -4.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 0.573 0.663 -5.232 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -1.535 0.662 -3.961 1.00 0.00 H new ATOM 1013 N ARG A 67 2.413 -3.192 -10.411 1.00 0.00 N ATOM 1014 CA ARG A 67 3.531 -3.758 -11.138 1.00 0.00 C ATOM 1015 C ARG A 67 3.928 -5.060 -10.474 1.00 0.00 C ATOM 1016 O ARG A 67 3.841 -5.195 -9.253 1.00 0.00 O ATOM 1017 CB ARG A 67 4.739 -2.817 -11.172 1.00 0.00 C ATOM 1018 CG ARG A 67 4.448 -1.435 -11.732 1.00 0.00 C ATOM 1019 CD ARG A 67 3.775 -0.565 -10.693 1.00 0.00 C ATOM 1020 NE ARG A 67 3.583 0.807 -11.152 1.00 0.00 N ATOM 1021 CZ ARG A 67 3.558 1.868 -10.350 1.00 0.00 C ATOM 1022 NH1 ARG A 67 3.769 1.727 -9.043 1.00 0.00 N ATOM 1023 NH2 ARG A 67 3.324 3.069 -10.858 1.00 0.00 N ATOM 0 H ARG A 67 2.673 -2.523 -9.686 1.00 0.00 H new ATOM 0 HA ARG A 67 3.218 -3.921 -12.169 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.128 -2.710 -10.160 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.526 -3.278 -11.769 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.377 -0.967 -12.058 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.808 -1.521 -12.610 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.808 -0.996 -10.434 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.376 -0.560 -9.784 1.00 0.00 H new ATOM 0 HE ARG A 67 3.460 0.962 -12.153 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.951 0.802 -8.653 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.749 2.544 -8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.164 3.177 -11.860 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.304 3.886 -10.247 1.00 0.00 H new ATOM 1037 N ALA A 68 4.369 -6.001 -11.267 1.00 0.00 N ATOM 1038 CA ALA A 68 4.698 -7.315 -10.755 1.00 0.00 C ATOM 1039 C ALA A 68 6.018 -7.813 -11.309 1.00 0.00 C ATOM 1040 O ALA A 68 6.327 -7.621 -12.487 1.00 0.00 O ATOM 1041 CB ALA A 68 3.588 -8.300 -11.074 1.00 0.00 C ATOM 0 H ALA A 68 4.510 -5.887 -12.271 1.00 0.00 H new ATOM 0 HA ALA A 68 4.800 -7.233 -9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.850 -9.283 -10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.659 -7.963 -10.615 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.457 -8.363 -12.154 1.00 0.00 H new ATOM 1047 N THR A 69 6.785 -8.451 -10.445 1.00 0.00 N ATOM 1048 CA THR A 69 8.063 -9.028 -10.815 1.00 0.00 C ATOM 1049 C THR A 69 8.048 -10.533 -10.592 1.00 0.00 C ATOM 1050 O THR A 69 7.622 -11.007 -9.537 1.00 0.00 O ATOM 1051 CB THR A 69 9.216 -8.404 -10.001 1.00 0.00 C ATOM 1052 OG1 THR A 69 8.846 -8.317 -8.618 1.00 0.00 O ATOM 1053 CG2 THR A 69 9.568 -7.022 -10.522 1.00 0.00 C ATOM 0 H THR A 69 6.538 -8.584 -9.464 1.00 0.00 H new ATOM 0 HA THR A 69 8.227 -8.815 -11.871 1.00 0.00 H new ATOM 0 HB THR A 69 10.091 -9.045 -10.107 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.453 -9.168 -8.330 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.383 -6.607 -9.930 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.877 -7.094 -11.565 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.697 -6.372 -10.446 1.00 0.00 H new ATOM 1061 N SER A 70 8.497 -11.277 -11.587 1.00 0.00 N ATOM 1062 CA SER A 70 8.537 -12.721 -11.498 1.00 0.00 C ATOM 1063 C SER A 70 9.721 -13.252 -12.286 1.00 0.00 C ATOM 1064 O SER A 70 10.114 -12.671 -13.297 1.00 0.00 O ATOM 1065 CB SER A 70 7.239 -13.322 -12.046 1.00 0.00 C ATOM 1066 OG SER A 70 7.161 -14.716 -11.788 1.00 0.00 O ATOM 0 H SER A 70 8.840 -10.900 -12.470 1.00 0.00 H new ATOM 0 HA SER A 70 8.643 -13.006 -10.451 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.384 -12.819 -11.593 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.180 -13.146 -13.120 1.00 0.00 H new ATOM 0 HG SER A 70 6.612 -14.871 -10.991 1.00 0.00 H new ATOM 1072 N GLY A 71 10.290 -14.349 -11.813 1.00 0.00 N ATOM 1073 CA GLY A 71 11.342 -15.014 -12.549 1.00 0.00 C ATOM 1074 C GLY A 71 10.774 -16.016 -13.527 1.00 0.00 C ATOM 1075 O GLY A 71 11.334 -17.094 -13.726 1.00 0.00 O ATOM 0 H GLY A 71 10.040 -14.792 -10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.937 -14.275 -13.086 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.012 -15.520 -11.854 1.00 0.00 H new ATOM 1079 N THR A 72 9.643 -15.663 -14.126 1.00 0.00 N ATOM 1080 CA THR A 72 8.959 -16.543 -15.058 1.00 0.00 C ATOM 1081 C THR A 72 8.334 -15.727 -16.180 1.00 0.00 C ATOM 1082 O THR A 72 8.174 -14.512 -16.056 1.00 0.00 O ATOM 1083 CB THR A 72 7.843 -17.339 -14.352 1.00 0.00 C ATOM 1084 OG1 THR A 72 8.070 -17.352 -12.935 1.00 0.00 O ATOM 1085 CG2 THR A 72 7.785 -18.772 -14.870 1.00 0.00 C ATOM 0 H THR A 72 9.180 -14.766 -13.980 1.00 0.00 H new ATOM 0 HA THR A 72 9.696 -17.238 -15.460 1.00 0.00 H new ATOM 0 HB THR A 72 6.892 -16.851 -14.566 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.765 -16.505 -12.547 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.990 -19.313 -14.356 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.585 -18.764 -15.941 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.739 -19.265 -14.683 1.00 0.00 H new ATOM 1093 N VAL A 73 7.986 -16.387 -17.271 1.00 0.00 N ATOM 1094 CA VAL A 73 7.299 -15.726 -18.366 1.00 0.00 C ATOM 1095 C VAL A 73 5.786 -15.835 -18.177 1.00 0.00 C ATOM 1096 O VAL A 73 5.201 -16.910 -18.290 1.00 0.00 O ATOM 1097 CB VAL A 73 7.731 -16.294 -19.741 1.00 0.00 C ATOM 1098 CG1 VAL A 73 7.588 -17.809 -19.789 1.00 0.00 C ATOM 1099 CG2 VAL A 73 6.945 -15.637 -20.870 1.00 0.00 C ATOM 0 H VAL A 73 8.168 -17.379 -17.422 1.00 0.00 H new ATOM 0 HA VAL A 73 7.579 -14.673 -18.355 1.00 0.00 H new ATOM 0 HB VAL A 73 8.787 -16.059 -19.878 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.900 -18.173 -20.768 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.214 -18.258 -19.018 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.547 -18.082 -19.615 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.265 -16.052 -21.826 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.881 -15.827 -20.731 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.126 -14.562 -20.862 1.00 0.00 H new ATOM 1109 N LEU A 74 5.162 -14.718 -17.846 1.00 0.00 N ATOM 1110 CA LEU A 74 3.733 -14.697 -17.572 1.00 0.00 C ATOM 1111 C LEU A 74 2.985 -14.025 -18.711 1.00 0.00 C ATOM 1112 O LEU A 74 3.252 -12.868 -19.051 1.00 0.00 O ATOM 1113 CB LEU A 74 3.454 -13.965 -16.261 1.00 0.00 C ATOM 1114 CG LEU A 74 4.218 -14.495 -15.046 1.00 0.00 C ATOM 1115 CD1 LEU A 74 3.944 -13.636 -13.823 1.00 0.00 C ATOM 1116 CD2 LEU A 74 3.852 -15.945 -14.767 1.00 0.00 C ATOM 0 H LEU A 74 5.622 -13.812 -17.760 1.00 0.00 H new ATOM 0 HA LEU A 74 3.385 -15.726 -17.482 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.698 -12.911 -16.393 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.386 -14.021 -16.052 1.00 0.00 H new ATOM 0 HG LEU A 74 5.283 -14.447 -15.271 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.497 -14.030 -12.970 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.261 -12.612 -14.019 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.877 -13.649 -13.601 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.408 -16.300 -13.899 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.783 -16.019 -14.568 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.103 -16.557 -15.633 1.00 0.00 H new ATOM 1128 N ASP A 75 2.052 -14.756 -19.295 1.00 0.00 N ATOM 1129 CA ASP A 75 1.288 -14.257 -20.429 1.00 0.00 C ATOM 1130 C ASP A 75 0.126 -13.391 -19.973 1.00 0.00 C ATOM 1131 O ASP A 75 -0.256 -13.398 -18.801 1.00 0.00 O ATOM 1132 CB ASP A 75 0.752 -15.409 -21.280 1.00 0.00 C ATOM 1133 CG ASP A 75 1.829 -16.106 -22.081 1.00 0.00 C ATOM 1134 OD1 ASP A 75 2.292 -17.180 -21.650 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.203 -15.588 -23.156 1.00 0.00 O ATOM 0 H ASP A 75 1.803 -15.701 -19.003 1.00 0.00 H new ATOM 0 HA ASP A 75 1.967 -13.652 -21.030 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.263 -16.135 -20.631 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.009 -15.027 -21.961 1.00 0.00 H new ATOM 1141 N VAL A 76 -0.446 -12.658 -20.913 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.558 -11.774 -20.618 1.00 0.00 C ATOM 1143 C VAL A 76 -2.827 -12.585 -20.385 1.00 0.00 C ATOM 1144 O VAL A 76 -3.131 -13.508 -21.146 1.00 0.00 O ATOM 1145 CB VAL A 76 -1.795 -10.770 -21.766 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -2.920 -9.799 -21.424 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.517 -10.014 -22.079 1.00 0.00 C ATOM 0 H VAL A 76 -0.156 -12.659 -21.891 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.308 -11.216 -19.716 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.095 -11.332 -22.650 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.064 -9.104 -22.251 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.841 -10.356 -21.253 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.659 -9.243 -20.524 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.700 -9.310 -22.891 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.190 -9.470 -21.193 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.259 -10.719 -22.378 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.552 -12.253 -19.328 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.792 -12.940 -19.036 1.00 0.00 C ATOM 1159 C GLY A 77 -4.609 -14.082 -18.063 1.00 0.00 C ATOM 1160 O GLY A 77 -5.587 -14.629 -17.553 1.00 0.00 O ATOM 0 H GLY A 77 -3.303 -11.518 -18.666 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.509 -12.229 -18.625 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.218 -13.323 -19.963 1.00 0.00 H new ATOM 1164 N GLU A 78 -3.360 -14.445 -17.804 1.00 0.00 N ATOM 1165 CA GLU A 78 -3.057 -15.526 -16.893 1.00 0.00 C ATOM 1166 C GLU A 78 -3.353 -15.144 -15.455 1.00 0.00 C ATOM 1167 O GLU A 78 -3.608 -13.977 -15.141 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.598 -15.926 -17.018 1.00 0.00 C ATOM 1169 CG GLU A 78 -1.278 -16.642 -18.305 1.00 0.00 C ATOM 1170 CD GLU A 78 -2.159 -17.849 -18.537 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -3.059 -17.771 -19.400 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -1.955 -18.880 -17.866 1.00 0.00 O ATOM 0 H GLU A 78 -2.540 -14.000 -18.217 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.694 -16.368 -17.163 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.977 -15.033 -16.945 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.333 -16.569 -16.179 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.391 -15.949 -19.139 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.234 -16.956 -18.291 1.00 0.00 H new ATOM 1180 N GLU A 79 -3.286 -16.135 -14.587 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.583 -15.940 -13.178 1.00 0.00 C ATOM 1182 C GLU A 79 -2.336 -16.203 -12.348 1.00 0.00 C ATOM 1183 O GLU A 79 -1.682 -17.238 -12.498 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.733 -16.854 -12.739 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.974 -16.722 -13.618 1.00 0.00 C ATOM 1186 CD GLU A 79 -7.184 -17.440 -13.059 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -7.141 -18.678 -12.908 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -8.199 -16.766 -12.776 1.00 0.00 O ATOM 0 H GLU A 79 -3.027 -17.090 -14.834 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.896 -14.908 -13.021 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.392 -17.889 -12.755 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.000 -16.622 -11.708 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.212 -15.666 -13.742 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.752 -17.117 -14.609 1.00 0.00 H new ATOM 1196 N VAL A 80 -1.998 -15.259 -11.483 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.779 -15.363 -10.691 1.00 0.00 C ATOM 1198 C VAL A 80 -1.073 -15.333 -9.196 1.00 0.00 C ATOM 1199 O VAL A 80 -2.050 -14.733 -8.755 1.00 0.00 O ATOM 1200 CB VAL A 80 0.221 -14.239 -11.037 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.746 -14.417 -12.451 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.424 -12.869 -10.873 1.00 0.00 C ATOM 0 H VAL A 80 -2.546 -14.416 -11.311 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.331 -16.325 -10.942 1.00 0.00 H new ATOM 0 HB VAL A 80 1.060 -14.302 -10.344 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.450 -13.617 -12.681 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.251 -15.380 -12.533 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.085 -14.382 -13.155 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.300 -12.094 -11.122 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.284 -12.790 -11.538 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.751 -12.742 -9.841 1.00 0.00 H new ATOM 1212 N SER A 81 -0.232 -16.008 -8.429 1.00 0.00 N ATOM 1213 CA SER A 81 -0.359 -16.029 -6.984 1.00 0.00 C ATOM 1214 C SER A 81 0.554 -14.974 -6.364 1.00 0.00 C ATOM 1215 O SER A 81 1.764 -14.978 -6.599 1.00 0.00 O ATOM 1216 CB SER A 81 0.015 -17.413 -6.451 1.00 0.00 C ATOM 1217 OG SER A 81 -0.661 -18.434 -7.164 1.00 0.00 O ATOM 0 H SER A 81 0.552 -16.552 -8.789 1.00 0.00 H new ATOM 0 HA SER A 81 -1.392 -15.808 -6.716 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.092 -17.559 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.235 -17.478 -5.392 1.00 0.00 H new ATOM 0 HG SER A 81 -0.404 -19.309 -6.805 1.00 0.00 H new ATOM 1223 N VAL A 82 -0.025 -14.069 -5.588 1.00 0.00 N ATOM 1224 CA VAL A 82 0.753 -13.026 -4.932 1.00 0.00 C ATOM 1225 C VAL A 82 1.346 -13.563 -3.633 1.00 0.00 C ATOM 1226 O VAL A 82 0.615 -13.891 -2.697 1.00 0.00 O ATOM 1227 CB VAL A 82 -0.105 -11.777 -4.623 1.00 0.00 C ATOM 1228 CG1 VAL A 82 0.752 -10.657 -4.043 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.833 -11.301 -5.872 1.00 0.00 C ATOM 0 H VAL A 82 -1.026 -14.035 -5.397 1.00 0.00 H new ATOM 0 HA VAL A 82 1.549 -12.730 -5.615 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.849 -12.056 -3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.125 -9.790 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.219 -10.998 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.525 -10.382 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.431 -10.422 -5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.105 -11.046 -6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.485 -12.094 -6.237 1.00 0.00 H new ATOM 1239 N LYS A 83 2.666 -13.673 -3.583 1.00 0.00 N ATOM 1240 CA LYS A 83 3.333 -14.258 -2.441 1.00 0.00 C ATOM 1241 C LYS A 83 3.944 -13.207 -1.518 1.00 0.00 C ATOM 1242 O LYS A 83 3.916 -13.361 -0.298 1.00 0.00 O ATOM 1243 CB LYS A 83 4.395 -15.231 -2.919 1.00 0.00 C ATOM 1244 CG LYS A 83 3.817 -16.574 -3.331 1.00 0.00 C ATOM 1245 CD LYS A 83 4.907 -17.550 -3.703 1.00 0.00 C ATOM 1246 CE LYS A 83 4.337 -18.905 -4.095 1.00 0.00 C ATOM 1247 NZ LYS A 83 3.584 -19.533 -2.973 1.00 0.00 N ATOM 0 H LYS A 83 3.293 -13.362 -4.325 1.00 0.00 H new ATOM 0 HA LYS A 83 2.583 -14.788 -1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.928 -14.795 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.126 -15.383 -2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.223 -16.983 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.143 -16.438 -4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.490 -17.147 -4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.590 -17.672 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.677 -18.787 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.148 -19.565 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.416 -20.537 -3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.138 -19.454 -2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.672 -19.047 -2.852 1.00 0.00 H new ATOM 1261 N ALA A 84 4.489 -12.139 -2.091 1.00 0.00 N ATOM 1262 CA ALA A 84 5.154 -11.114 -1.293 1.00 0.00 C ATOM 1263 C ALA A 84 5.119 -9.757 -1.986 1.00 0.00 C ATOM 1264 O ALA A 84 4.835 -9.662 -3.180 1.00 0.00 O ATOM 1265 CB ALA A 84 6.592 -11.524 -1.002 1.00 0.00 C ATOM 0 H ALA A 84 4.484 -11.961 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 84 4.613 -11.020 -0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.077 -10.751 -0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.598 -12.464 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.131 -11.650 -1.941 1.00 0.00 H new ATOM 1271 N ILE A 85 5.384 -8.712 -1.217 1.00 0.00 N ATOM 1272 CA ILE A 85 5.477 -7.360 -1.745 1.00 0.00 C ATOM 1273 C ILE A 85 6.941 -6.927 -1.764 1.00 0.00 C ATOM 1274 O ILE A 85 7.666 -7.132 -0.787 1.00 0.00 O ATOM 1275 CB ILE A 85 4.672 -6.365 -0.878 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.258 -6.898 -0.593 1.00 0.00 C ATOM 1277 CG2 ILE A 85 4.607 -5.001 -1.556 1.00 0.00 C ATOM 1278 CD1 ILE A 85 2.420 -7.110 -1.832 1.00 0.00 C ATOM 0 H ILE A 85 5.540 -8.777 -0.211 1.00 0.00 H new ATOM 0 HA ILE A 85 5.063 -7.357 -2.753 1.00 0.00 H new ATOM 0 HB ILE A 85 5.186 -6.254 0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.338 -7.843 -0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.743 -6.199 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.037 -4.312 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.617 -4.615 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.121 -5.100 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.438 -7.487 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.306 -6.164 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.911 -7.833 -2.484 1.00 0.00 H new ATOM 1290 N GLU A 86 7.381 -6.337 -2.864 1.00 0.00 N ATOM 1291 CA GLU A 86 8.749 -5.862 -2.963 1.00 0.00 C ATOM 1292 C GLU A 86 8.772 -4.402 -3.400 1.00 0.00 C ATOM 1293 O GLU A 86 8.739 -4.096 -4.593 1.00 0.00 O ATOM 1294 CB GLU A 86 9.559 -6.730 -3.930 1.00 0.00 C ATOM 1295 CG GLU A 86 11.035 -6.364 -3.973 1.00 0.00 C ATOM 1296 CD GLU A 86 11.860 -7.313 -4.815 1.00 0.00 C ATOM 1297 OE1 GLU A 86 12.265 -6.925 -5.931 1.00 0.00 O ATOM 1298 OE2 GLU A 86 12.125 -8.445 -4.356 1.00 0.00 O ATOM 0 H GLU A 86 6.813 -6.177 -3.696 1.00 0.00 H new ATOM 0 HA GLU A 86 9.211 -5.936 -1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.459 -7.776 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.139 -6.636 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.141 -5.353 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.430 -6.353 -2.957 1.00 0.00 H new ATOM 1306 N GLY A 87 8.813 -3.508 -2.421 1.00 0.00 N ATOM 1307 CA GLY A 87 8.819 -2.088 -2.706 1.00 0.00 C ATOM 1308 C GLY A 87 7.547 -1.634 -3.388 1.00 0.00 C ATOM 1309 O GLY A 87 6.465 -1.711 -2.809 1.00 0.00 O ATOM 0 H GLY A 87 8.842 -3.744 -1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.948 -1.534 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.673 -1.850 -3.340 1.00 0.00 H new ATOM 1313 N VAL A 88 7.681 -1.171 -4.620 1.00 0.00 N ATOM 1314 CA VAL A 88 6.535 -0.722 -5.404 1.00 0.00 C ATOM 1315 C VAL A 88 6.079 -1.811 -6.374 1.00 0.00 C ATOM 1316 O VAL A 88 5.264 -1.565 -7.263 1.00 0.00 O ATOM 1317 CB VAL A 88 6.866 0.564 -6.197 1.00 0.00 C ATOM 1318 CG1 VAL A 88 7.144 1.719 -5.247 1.00 0.00 C ATOM 1319 CG2 VAL A 88 8.054 0.338 -7.127 1.00 0.00 C ATOM 0 H VAL A 88 8.576 -1.095 -5.104 1.00 0.00 H new ATOM 0 HA VAL A 88 5.729 -0.505 -4.703 1.00 0.00 H new ATOM 0 HB VAL A 88 6.000 0.819 -6.808 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.375 2.616 -5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.265 1.901 -4.629 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.991 1.469 -4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.268 1.256 -7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.927 0.054 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.817 -0.458 -7.833 1.00 0.00 H new ATOM 1329 N LYS A 89 6.611 -3.011 -6.193 1.00 0.00 N ATOM 1330 CA LYS A 89 6.313 -4.132 -7.070 1.00 0.00 C ATOM 1331 C LYS A 89 5.715 -5.283 -6.271 1.00 0.00 C ATOM 1332 O LYS A 89 5.923 -5.382 -5.060 1.00 0.00 O ATOM 1333 CB LYS A 89 7.594 -4.616 -7.745 1.00 0.00 C ATOM 1334 CG LYS A 89 8.444 -3.503 -8.338 1.00 0.00 C ATOM 1335 CD LYS A 89 9.835 -4.004 -8.699 1.00 0.00 C ATOM 1336 CE LYS A 89 10.518 -4.644 -7.501 1.00 0.00 C ATOM 1337 NZ LYS A 89 11.908 -5.071 -7.807 1.00 0.00 N ATOM 0 H LYS A 89 7.259 -3.234 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 89 5.598 -3.801 -7.823 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.191 -5.165 -7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.332 -5.319 -8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.956 -3.104 -9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.524 -2.683 -7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.764 -4.729 -9.510 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.440 -3.174 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.532 -3.936 -6.672 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.939 -5.507 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.085 -6.005 -7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.035 -5.128 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.578 -4.380 -7.413 1.00 0.00 H new ATOM 1351 N LEU A 90 4.977 -6.150 -6.940 1.00 0.00 N ATOM 1352 CA LEU A 90 4.457 -7.347 -6.301 1.00 0.00 C ATOM 1353 C LEU A 90 5.254 -8.565 -6.746 1.00 0.00 C ATOM 1354 O LEU A 90 5.667 -8.662 -7.905 1.00 0.00 O ATOM 1355 CB LEU A 90 2.981 -7.561 -6.643 1.00 0.00 C ATOM 1356 CG LEU A 90 2.064 -6.353 -6.442 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.618 -6.738 -6.709 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.212 -5.781 -5.042 1.00 0.00 C ATOM 0 H LEU A 90 4.724 -6.049 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 90 4.551 -7.216 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.912 -7.875 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.603 -8.384 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 90 2.359 -5.581 -7.153 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.023 -5.869 -6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.519 -7.092 -7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.319 -7.529 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.549 -4.924 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.950 -6.543 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.243 -5.465 -4.885 1.00 0.00 H new ATOM 1370 N VAL A 91 5.467 -9.488 -5.828 1.00 0.00 N ATOM 1371 CA VAL A 91 6.154 -10.730 -6.137 1.00 0.00 C ATOM 1372 C VAL A 91 5.127 -11.818 -6.412 1.00 0.00 C ATOM 1373 O VAL A 91 4.476 -12.322 -5.489 1.00 0.00 O ATOM 1374 CB VAL A 91 7.089 -11.177 -4.992 1.00 0.00 C ATOM 1375 CG1 VAL A 91 7.826 -12.456 -5.363 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.074 -10.069 -4.645 1.00 0.00 C ATOM 0 H VAL A 91 5.172 -9.401 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 91 6.772 -10.559 -7.018 1.00 0.00 H new ATOM 0 HB VAL A 91 6.479 -11.382 -4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.478 -12.751 -4.541 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.104 -13.249 -5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.424 -12.285 -6.258 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.725 -10.401 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.677 -9.830 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.526 -9.181 -4.329 1.00 0.00 H new ATOM 1386 N VAL A 92 4.964 -12.157 -7.680 1.00 0.00 N ATOM 1387 CA VAL A 92 3.936 -13.097 -8.086 1.00 0.00 C ATOM 1388 C VAL A 92 4.522 -14.253 -8.885 1.00 0.00 C ATOM 1389 O VAL A 92 5.574 -14.123 -9.516 1.00 0.00 O ATOM 1390 CB VAL A 92 2.838 -12.414 -8.934 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.117 -11.342 -8.132 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.425 -11.827 -10.210 1.00 0.00 C ATOM 0 H VAL A 92 5.532 -11.794 -8.446 1.00 0.00 H new ATOM 0 HA VAL A 92 3.492 -13.480 -7.167 1.00 0.00 H new ATOM 0 HB VAL A 92 2.109 -13.175 -9.213 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.350 -10.878 -8.752 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.651 -11.794 -7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.832 -10.584 -7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.633 -11.352 -10.790 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.182 -11.086 -9.955 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.880 -12.622 -10.801 1.00 0.00 H new ATOM 1402 N GLU A 93 3.836 -15.382 -8.849 1.00 0.00 N ATOM 1403 CA GLU A 93 4.214 -16.540 -9.646 1.00 0.00 C ATOM 1404 C GLU A 93 2.971 -17.120 -10.300 1.00 0.00 C ATOM 1405 O GLU A 93 1.856 -16.780 -9.915 1.00 0.00 O ATOM 1406 CB GLU A 93 4.912 -17.599 -8.787 1.00 0.00 C ATOM 1407 CG GLU A 93 6.247 -17.142 -8.218 1.00 0.00 C ATOM 1408 CD GLU A 93 6.967 -18.239 -7.467 1.00 0.00 C ATOM 1409 OE1 GLU A 93 6.798 -18.331 -6.236 1.00 0.00 O ATOM 1410 OE2 GLU A 93 7.709 -19.017 -8.110 1.00 0.00 O ATOM 0 H GLU A 93 3.007 -15.523 -8.272 1.00 0.00 H new ATOM 0 HA GLU A 93 4.920 -16.225 -10.415 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.253 -17.879 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.071 -18.495 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.881 -16.787 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.082 -16.297 -7.549 1.00 0.00 H new ATOM 1418 N LYS A 94 3.155 -17.990 -11.276 1.00 0.00 N ATOM 1419 CA LYS A 94 2.028 -18.548 -12.014 1.00 0.00 C ATOM 1420 C LYS A 94 1.216 -19.494 -11.127 1.00 0.00 C ATOM 1421 O LYS A 94 1.765 -20.150 -10.241 1.00 0.00 O ATOM 1422 CB LYS A 94 2.518 -19.308 -13.252 1.00 0.00 C ATOM 1423 CG LYS A 94 1.382 -19.798 -14.138 1.00 0.00 C ATOM 1424 CD LYS A 94 1.728 -21.091 -14.856 1.00 0.00 C ATOM 1425 CE LYS A 94 0.501 -21.671 -15.540 1.00 0.00 C ATOM 1426 NZ LYS A 94 0.735 -23.043 -16.060 1.00 0.00 N ATOM 0 H LYS A 94 4.069 -18.327 -11.578 1.00 0.00 H new ATOM 0 HA LYS A 94 1.392 -17.720 -12.329 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.172 -18.659 -13.835 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.117 -20.161 -12.934 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.490 -19.950 -13.530 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.140 -19.030 -14.873 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.508 -20.905 -15.594 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.128 -21.812 -14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.329 -21.690 -14.834 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.205 -21.020 -16.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.131 -23.393 -16.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.509 -23.024 -16.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.991 -23.673 -15.273 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.096 -19.537 -11.355 1.00 0.00 N ATOM 1441 CA LEU A 95 -0.953 -20.541 -10.733 1.00 0.00 C ATOM 1442 C LEU A 95 -0.633 -21.927 -11.283 1.00 0.00 C ATOM 1443 O LEU A 95 0.253 -22.077 -12.128 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.432 -20.218 -10.967 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.176 -19.620 -9.768 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -3.027 -20.502 -8.540 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -2.690 -18.219 -9.473 1.00 0.00 C ATOM 0 H LEU A 95 -0.588 -18.886 -11.967 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.761 -20.530 -9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.506 -19.521 -11.802 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.942 -21.133 -11.269 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.234 -19.568 -10.026 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.564 -20.055 -7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.438 -21.490 -8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.971 -20.595 -8.285 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.234 -17.818 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.624 -18.244 -9.246 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.861 -17.584 -10.342 1.00 0.00 H new