USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=12 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+ -176:sc= 0.804 (180deg=0.606) USER MOD Single : A 48 MET CE :methyl 157:sc= -0.188 (180deg=-0.777) USER MOD Single : A 52 SER OG : rot 180:sc= 0.434 USER MOD Single : A 54 GLN : amide:sc= -0.541 X(o=-0.54,f=-0.11) USER MOD Single : A 55 ASN : amide:sc= 0.216 K(o=0.22,f=-3.7!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 29:sc= 0.681 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 91:sc= 0.681 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 138:sc= 0.601 (180deg=-0.321) USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= 1.43 (180deg=0.965) USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= 1.02 (180deg=0.826) USER MOD ----------------------------------------------------------------- ATOM 600 N LEU A 40 -3.089 -7.801 -0.089 1.00 0.00 N ATOM 601 CA LEU A 40 -2.660 -8.377 -1.359 1.00 0.00 C ATOM 602 C LEU A 40 -1.954 -9.715 -1.153 1.00 0.00 C ATOM 603 O LEU A 40 -1.808 -10.501 -2.090 1.00 0.00 O ATOM 604 CB LEU A 40 -1.713 -7.408 -2.069 1.00 0.00 C ATOM 605 CG LEU A 40 -2.275 -6.007 -2.318 1.00 0.00 C ATOM 606 CD1 LEU A 40 -1.211 -5.109 -2.929 1.00 0.00 C ATOM 607 CD2 LEU A 40 -3.499 -6.074 -3.222 1.00 0.00 C ATOM 0 HA LEU A 40 -3.547 -8.548 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.803 -7.316 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.427 -7.842 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.578 -5.583 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.627 -4.116 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.363 -5.035 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.879 -5.531 -3.877 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.885 -5.068 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.221 -6.518 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.268 -6.684 -2.748 1.00 0.00 H new ATOM 619 N ILE A 41 -1.539 -9.972 0.080 1.00 0.00 N ATOM 620 CA ILE A 41 -0.708 -11.133 0.389 1.00 0.00 C ATOM 621 C ILE A 41 -1.492 -12.439 0.288 1.00 0.00 C ATOM 622 O ILE A 41 -2.498 -12.627 0.976 1.00 0.00 O ATOM 623 CB ILE A 41 -0.091 -11.022 1.801 1.00 0.00 C ATOM 624 CG1 ILE A 41 0.695 -9.714 1.945 1.00 0.00 C ATOM 625 CG2 ILE A 41 0.806 -12.220 2.092 1.00 0.00 C ATOM 626 CD1 ILE A 41 1.847 -9.581 0.969 1.00 0.00 C ATOM 0 H ILE A 41 -1.764 -9.391 0.887 1.00 0.00 H new ATOM 0 HA ILE A 41 0.090 -11.146 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.903 -11.017 2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.014 -8.875 1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.082 -9.644 2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.231 -12.122 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.219 -13.137 2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.611 -12.259 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.355 -8.630 1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.551 -10.399 1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.465 -9.618 -0.051 1.00 0.00 H new ATOM 638 N GLY A 42 -1.026 -13.329 -0.587 1.00 0.00 N ATOM 639 CA GLY A 42 -1.604 -14.656 -0.691 1.00 0.00 C ATOM 640 C GLY A 42 -2.879 -14.689 -1.506 1.00 0.00 C ATOM 641 O GLY A 42 -3.668 -15.625 -1.387 1.00 0.00 O ATOM 0 H GLY A 42 -0.253 -13.151 -1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.875 -15.329 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.810 -15.035 0.310 1.00 0.00 H new ATOM 645 N ARG A 43 -3.092 -13.674 -2.329 1.00 0.00 N ATOM 646 CA ARG A 43 -4.290 -13.614 -3.145 1.00 0.00 C ATOM 647 C ARG A 43 -3.948 -13.787 -4.620 1.00 0.00 C ATOM 648 O ARG A 43 -2.804 -13.573 -5.028 1.00 0.00 O ATOM 649 CB ARG A 43 -5.015 -12.286 -2.923 1.00 0.00 C ATOM 650 CG ARG A 43 -5.397 -12.035 -1.474 1.00 0.00 C ATOM 651 CD ARG A 43 -6.257 -13.159 -0.917 1.00 0.00 C ATOM 652 NE ARG A 43 -6.607 -12.935 0.486 1.00 0.00 N ATOM 653 CZ ARG A 43 -7.260 -13.812 1.251 1.00 0.00 C ATOM 654 NH1 ARG A 43 -7.585 -15.011 0.783 1.00 0.00 N ATOM 655 NH2 ARG A 43 -7.557 -13.495 2.505 1.00 0.00 N ATOM 0 H ARG A 43 -2.455 -12.887 -2.448 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.949 -14.430 -2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.378 -11.472 -3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.916 -12.267 -3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.494 -11.935 -0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.937 -11.091 -1.398 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.168 -13.246 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.724 -14.105 -1.011 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.333 -12.048 0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.336 -15.271 -0.171 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.084 -15.672 1.378 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.286 -12.585 2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.056 -14.161 3.095 1.00 0.00 H new ATOM 669 N LYS A 44 -4.938 -14.185 -5.411 1.00 0.00 N ATOM 670 CA LYS A 44 -4.744 -14.384 -6.839 1.00 0.00 C ATOM 671 C LYS A 44 -5.077 -13.113 -7.617 1.00 0.00 C ATOM 672 O LYS A 44 -5.949 -12.336 -7.219 1.00 0.00 O ATOM 673 CB LYS A 44 -5.614 -15.541 -7.342 1.00 0.00 C ATOM 674 CG LYS A 44 -5.262 -15.983 -8.752 1.00 0.00 C ATOM 675 CD LYS A 44 -6.200 -17.059 -9.274 1.00 0.00 C ATOM 676 CE LYS A 44 -7.579 -16.506 -9.595 1.00 0.00 C ATOM 677 NZ LYS A 44 -8.440 -17.529 -10.245 1.00 0.00 N ATOM 0 H LYS A 44 -5.885 -14.376 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.695 -14.629 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.508 -16.389 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.661 -15.239 -7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.295 -15.121 -9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.239 -16.358 -8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.772 -17.509 -10.170 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.291 -17.852 -8.531 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.055 -16.158 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.481 -15.641 -10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.349 -17.099 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.966 -17.892 -11.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.609 -18.313 -9.582 1.00 0.00 H new ATOM 691 N GLY A 45 -4.378 -12.912 -8.720 1.00 0.00 N ATOM 692 CA GLY A 45 -4.624 -11.777 -9.573 1.00 0.00 C ATOM 693 C GLY A 45 -4.496 -12.159 -11.028 1.00 0.00 C ATOM 694 O GLY A 45 -4.119 -13.286 -11.342 1.00 0.00 O ATOM 0 H GLY A 45 -3.632 -13.528 -9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.623 -11.384 -9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.918 -10.981 -9.338 1.00 0.00 H new ATOM 698 N VAL A 46 -4.799 -11.234 -11.912 1.00 0.00 N ATOM 699 CA VAL A 46 -4.759 -11.506 -13.340 1.00 0.00 C ATOM 700 C VAL A 46 -3.693 -10.648 -14.019 1.00 0.00 C ATOM 701 O VAL A 46 -3.447 -9.510 -13.609 1.00 0.00 O ATOM 702 CB VAL A 46 -6.141 -11.260 -13.992 1.00 0.00 C ATOM 703 CG1 VAL A 46 -6.544 -9.795 -13.905 1.00 0.00 C ATOM 704 CG2 VAL A 46 -6.160 -11.741 -15.435 1.00 0.00 C ATOM 0 H VAL A 46 -5.077 -10.283 -11.670 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.501 -12.557 -13.475 1.00 0.00 H new ATOM 0 HB VAL A 46 -6.874 -11.841 -13.432 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.519 -9.658 -14.372 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.597 -9.494 -12.859 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.805 -9.183 -14.422 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.143 -11.555 -15.867 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.404 -11.203 -16.008 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.946 -12.809 -15.465 1.00 0.00 H new ATOM 714 N VAL A 47 -3.045 -11.203 -15.033 1.00 0.00 N ATOM 715 CA VAL A 47 -1.999 -10.491 -15.754 1.00 0.00 C ATOM 716 C VAL A 47 -2.596 -9.660 -16.881 1.00 0.00 C ATOM 717 O VAL A 47 -3.266 -10.193 -17.768 1.00 0.00 O ATOM 718 CB VAL A 47 -0.956 -11.462 -16.344 1.00 0.00 C ATOM 719 CG1 VAL A 47 0.198 -10.702 -16.976 1.00 0.00 C ATOM 720 CG2 VAL A 47 -0.447 -12.420 -15.281 1.00 0.00 C ATOM 0 H VAL A 47 -3.226 -12.147 -15.376 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.503 -9.837 -15.037 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.445 -12.046 -17.124 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.919 -11.410 -17.384 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.180 -10.066 -17.777 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.684 -10.084 -16.221 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.287 -13.095 -15.721 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.018 -11.854 -14.474 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.281 -13.000 -14.884 1.00 0.00 H new ATOM 730 N MET A 48 -2.362 -8.356 -16.837 1.00 0.00 N ATOM 731 CA MET A 48 -2.853 -7.459 -17.870 1.00 0.00 C ATOM 732 C MET A 48 -1.738 -7.102 -18.843 1.00 0.00 C ATOM 733 O MET A 48 -1.982 -6.851 -20.024 1.00 0.00 O ATOM 734 CB MET A 48 -3.421 -6.182 -17.253 1.00 0.00 C ATOM 735 CG MET A 48 -4.596 -6.409 -16.324 1.00 0.00 C ATOM 736 SD MET A 48 -5.378 -4.869 -15.803 1.00 0.00 S ATOM 737 CE MET A 48 -6.031 -4.281 -17.366 1.00 0.00 C ATOM 0 H MET A 48 -1.834 -7.896 -16.095 1.00 0.00 H new ATOM 0 HA MET A 48 -3.647 -7.974 -18.410 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.629 -5.675 -16.701 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.731 -5.511 -18.055 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.334 -7.035 -16.825 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.258 -6.956 -15.444 1.00 0.00 H new ATOM 0 HE1 MET A 48 -6.858 -3.596 -17.180 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.246 -3.761 -17.916 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.386 -5.128 -17.954 1.00 0.00 H new ATOM 747 N GLU A 49 -0.514 -7.067 -18.337 1.00 0.00 N ATOM 748 CA GLU A 49 0.643 -6.782 -19.173 1.00 0.00 C ATOM 749 C GLU A 49 1.740 -7.809 -18.926 1.00 0.00 C ATOM 750 O GLU A 49 1.968 -8.215 -17.787 1.00 0.00 O ATOM 751 CB GLU A 49 1.163 -5.369 -18.906 1.00 0.00 C ATOM 752 CG GLU A 49 2.287 -4.948 -19.841 1.00 0.00 C ATOM 753 CD GLU A 49 2.575 -3.465 -19.787 1.00 0.00 C ATOM 754 OE1 GLU A 49 1.771 -2.685 -20.341 1.00 0.00 O ATOM 755 OE2 GLU A 49 3.621 -3.074 -19.226 1.00 0.00 O ATOM 0 H GLU A 49 -0.296 -7.232 -17.354 1.00 0.00 H new ATOM 0 HA GLU A 49 0.339 -6.844 -20.218 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.338 -4.663 -19.002 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.516 -5.309 -17.877 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.192 -5.498 -19.583 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.026 -5.225 -20.862 1.00 0.00 H new ATOM 763 N ALA A 50 2.414 -8.211 -20.002 1.00 0.00 N ATOM 764 CA ALA A 50 3.425 -9.264 -19.949 1.00 0.00 C ATOM 765 C ALA A 50 4.506 -8.985 -18.906 1.00 0.00 C ATOM 766 O ALA A 50 5.166 -7.941 -18.925 1.00 0.00 O ATOM 767 CB ALA A 50 4.053 -9.452 -21.317 1.00 0.00 C ATOM 0 H ALA A 50 2.275 -7.817 -20.932 1.00 0.00 H new ATOM 0 HA ALA A 50 2.919 -10.182 -19.648 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.805 -10.239 -21.267 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.283 -9.732 -22.036 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.523 -8.521 -21.633 1.00 0.00 H new ATOM 773 N ILE A 51 4.669 -9.931 -17.996 1.00 0.00 N ATOM 774 CA ILE A 51 5.692 -9.859 -16.968 1.00 0.00 C ATOM 775 C ILE A 51 6.950 -10.570 -17.443 1.00 0.00 C ATOM 776 O ILE A 51 6.897 -11.736 -17.833 1.00 0.00 O ATOM 777 CB ILE A 51 5.212 -10.518 -15.657 1.00 0.00 C ATOM 778 CG1 ILE A 51 3.947 -9.830 -15.141 1.00 0.00 C ATOM 779 CG2 ILE A 51 6.305 -10.476 -14.598 1.00 0.00 C ATOM 780 CD1 ILE A 51 3.258 -10.589 -14.025 1.00 0.00 C ATOM 0 H ILE A 51 4.094 -10.772 -17.950 1.00 0.00 H new ATOM 0 HA ILE A 51 5.902 -8.807 -16.777 1.00 0.00 H new ATOM 0 HB ILE A 51 4.979 -11.561 -15.869 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.205 -8.832 -14.786 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.249 -9.703 -15.968 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.944 -10.946 -13.683 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.182 -11.012 -14.959 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.572 -9.440 -14.392 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.369 -10.043 -13.708 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.969 -11.578 -14.382 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.940 -10.693 -13.181 1.00 0.00 H new ATOM 792 N SER A 52 8.068 -9.867 -17.424 1.00 0.00 N ATOM 793 CA SER A 52 9.331 -10.452 -17.819 1.00 0.00 C ATOM 794 C SER A 52 10.197 -10.715 -16.594 1.00 0.00 C ATOM 795 O SER A 52 9.899 -10.236 -15.500 1.00 0.00 O ATOM 796 CB SER A 52 10.053 -9.532 -18.810 1.00 0.00 C ATOM 797 OG SER A 52 10.115 -8.195 -18.334 1.00 0.00 O ATOM 0 H SER A 52 8.124 -8.889 -17.139 1.00 0.00 H new ATOM 0 HA SER A 52 9.140 -11.405 -18.313 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.063 -9.904 -18.983 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.536 -9.553 -19.770 1.00 0.00 H new ATOM 0 HG SER A 52 10.583 -7.636 -18.989 1.00 0.00 H new ATOM 803 N PRO A 53 11.265 -11.511 -16.745 1.00 0.00 N ATOM 804 CA PRO A 53 12.222 -11.732 -15.675 1.00 0.00 C ATOM 805 C PRO A 53 13.210 -10.574 -15.581 1.00 0.00 C ATOM 806 O PRO A 53 14.033 -10.502 -14.667 1.00 0.00 O ATOM 807 CB PRO A 53 12.921 -13.031 -16.075 1.00 0.00 C ATOM 808 CG PRO A 53 12.755 -13.151 -17.556 1.00 0.00 C ATOM 809 CD PRO A 53 11.612 -12.258 -17.969 1.00 0.00 C ATOM 0 HA PRO A 53 11.754 -11.797 -14.693 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.976 -13.006 -15.802 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.479 -13.885 -15.563 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.672 -12.858 -18.068 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.551 -14.185 -17.834 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.905 -11.585 -18.775 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.765 -12.840 -18.332 1.00 0.00 H new ATOM 817 N GLN A 54 13.107 -9.664 -16.545 1.00 0.00 N ATOM 818 CA GLN A 54 13.936 -8.472 -16.581 1.00 0.00 C ATOM 819 C GLN A 54 13.239 -7.305 -15.891 1.00 0.00 C ATOM 820 O GLN A 54 13.778 -6.709 -14.958 1.00 0.00 O ATOM 821 CB GLN A 54 14.268 -8.075 -18.024 1.00 0.00 C ATOM 822 CG GLN A 54 15.436 -8.831 -18.642 1.00 0.00 C ATOM 823 CD GLN A 54 15.166 -10.311 -18.838 1.00 0.00 C ATOM 824 OE1 GLN A 54 14.609 -10.719 -19.856 1.00 0.00 O ATOM 825 NE2 GLN A 54 15.603 -11.129 -17.896 1.00 0.00 N ATOM 0 H GLN A 54 12.447 -9.735 -17.320 1.00 0.00 H new ATOM 0 HA GLN A 54 14.861 -8.704 -16.052 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.384 -8.233 -18.642 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.489 -7.008 -18.051 1.00 0.00 H new ATOM 0 HG2 GLN A 54 15.678 -8.384 -19.606 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.313 -8.711 -18.006 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.060 -10.753 -17.066 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.483 -12.137 -18.000 1.00 0.00 H new ATOM 834 N ASN A 55 12.033 -6.988 -16.345 1.00 0.00 N ATOM 835 CA ASN A 55 11.326 -5.815 -15.857 1.00 0.00 C ATOM 836 C ASN A 55 10.014 -6.234 -15.207 1.00 0.00 C ATOM 837 O ASN A 55 9.787 -7.419 -14.978 1.00 0.00 O ATOM 838 CB ASN A 55 11.073 -4.842 -17.009 1.00 0.00 C ATOM 839 CG ASN A 55 10.913 -3.406 -16.544 1.00 0.00 C ATOM 840 OD1 ASN A 55 9.807 -2.945 -16.275 1.00 0.00 O ATOM 841 ND2 ASN A 55 12.020 -2.693 -16.441 1.00 0.00 N ATOM 0 H ASN A 55 11.527 -7.526 -17.048 1.00 0.00 H new ATOM 0 HA ASN A 55 11.937 -5.311 -15.108 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.901 -4.900 -17.715 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.175 -5.147 -17.545 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.975 -1.723 -16.129 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.920 -3.112 -16.674 1.00 0.00 H new ATOM 848 N SER A 56 9.154 -5.276 -14.910 1.00 0.00 N ATOM 849 CA SER A 56 7.904 -5.576 -14.243 1.00 0.00 C ATOM 850 C SER A 56 6.746 -5.607 -15.236 1.00 0.00 C ATOM 851 O SER A 56 6.772 -4.936 -16.268 1.00 0.00 O ATOM 852 CB SER A 56 7.617 -4.539 -13.163 1.00 0.00 C ATOM 853 OG SER A 56 8.793 -4.217 -12.440 1.00 0.00 O ATOM 0 H SER A 56 9.299 -4.288 -15.120 1.00 0.00 H new ATOM 0 HA SER A 56 8.000 -6.561 -13.785 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.209 -3.637 -13.619 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.859 -4.921 -12.479 1.00 0.00 H new ATOM 0 HG SER A 56 8.583 -3.549 -11.755 1.00 0.00 H new ATOM 859 N GLY A 57 5.744 -6.402 -14.915 1.00 0.00 N ATOM 860 CA GLY A 57 4.525 -6.423 -15.690 1.00 0.00 C ATOM 861 C GLY A 57 3.388 -5.841 -14.892 1.00 0.00 C ATOM 862 O GLY A 57 3.583 -5.450 -13.739 1.00 0.00 O ATOM 0 H GLY A 57 5.753 -7.042 -14.121 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.661 -5.854 -16.610 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.288 -7.447 -15.980 1.00 0.00 H new ATOM 866 N LEU A 58 2.208 -5.775 -15.479 1.00 0.00 N ATOM 867 CA LEU A 58 1.064 -5.202 -14.791 1.00 0.00 C ATOM 868 C LEU A 58 0.028 -6.269 -14.468 1.00 0.00 C ATOM 869 O LEU A 58 -0.500 -6.930 -15.366 1.00 0.00 O ATOM 870 CB LEU A 58 0.426 -4.093 -15.631 1.00 0.00 C ATOM 871 CG LEU A 58 1.285 -2.846 -15.827 1.00 0.00 C ATOM 872 CD1 LEU A 58 0.562 -1.834 -16.705 1.00 0.00 C ATOM 873 CD2 LEU A 58 1.652 -2.227 -14.480 1.00 0.00 C ATOM 0 H LEU A 58 2.016 -6.108 -16.424 1.00 0.00 H new ATOM 0 HA LEU A 58 1.422 -4.773 -13.855 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.177 -4.500 -16.611 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.512 -3.798 -15.161 1.00 0.00 H new ATOM 0 HG LEU A 58 2.207 -3.139 -16.329 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.188 -0.951 -16.834 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.356 -2.279 -17.679 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.377 -1.546 -16.231 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.264 -1.340 -14.642 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.743 -1.948 -13.948 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.212 -2.951 -13.887 1.00 0.00 H new ATOM 885 N VAL A 59 -0.247 -6.436 -13.185 1.00 0.00 N ATOM 886 CA VAL A 59 -1.273 -7.364 -12.740 1.00 0.00 C ATOM 887 C VAL A 59 -2.414 -6.606 -12.084 1.00 0.00 C ATOM 888 O VAL A 59 -2.246 -5.461 -11.675 1.00 0.00 O ATOM 889 CB VAL A 59 -0.717 -8.416 -11.758 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.298 -9.307 -12.447 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.092 -7.750 -10.546 1.00 0.00 C ATOM 0 H VAL A 59 0.228 -5.939 -12.431 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.638 -7.891 -13.622 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.550 -9.032 -11.420 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.678 -10.042 -11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.177 -9.821 -13.283 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.124 -8.699 -12.817 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.292 -8.513 -9.869 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.726 -7.104 -10.867 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.844 -7.153 -10.030 1.00 0.00 H new ATOM 901 N LYS A 60 -3.566 -7.241 -11.995 1.00 0.00 N ATOM 902 CA LYS A 60 -4.751 -6.614 -11.426 1.00 0.00 C ATOM 903 C LYS A 60 -5.281 -7.464 -10.281 1.00 0.00 C ATOM 904 O LYS A 60 -5.591 -8.642 -10.463 1.00 0.00 O ATOM 905 CB LYS A 60 -5.807 -6.447 -12.521 1.00 0.00 C ATOM 906 CG LYS A 60 -7.034 -5.658 -12.103 1.00 0.00 C ATOM 907 CD LYS A 60 -7.938 -5.406 -13.293 1.00 0.00 C ATOM 908 CE LYS A 60 -9.165 -4.601 -12.914 1.00 0.00 C ATOM 909 NZ LYS A 60 -9.984 -4.279 -14.105 1.00 0.00 N ATOM 0 H LYS A 60 -3.711 -8.200 -12.312 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.500 -5.630 -11.031 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.348 -5.953 -13.377 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.124 -7.435 -12.855 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.580 -6.205 -11.334 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.730 -4.708 -11.663 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.381 -4.876 -14.065 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.248 -6.359 -13.721 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.765 -5.163 -12.198 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.860 -3.679 -12.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.817 -3.728 -13.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.417 -3.722 -14.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.294 -5.160 -14.562 1.00 0.00 H new ATOM 923 N VAL A 61 -5.355 -6.869 -9.100 1.00 0.00 N ATOM 924 CA VAL A 61 -5.823 -7.566 -7.911 1.00 0.00 C ATOM 925 C VAL A 61 -7.001 -6.816 -7.307 1.00 0.00 C ATOM 926 O VAL A 61 -6.867 -5.645 -6.934 1.00 0.00 O ATOM 927 CB VAL A 61 -4.703 -7.700 -6.853 1.00 0.00 C ATOM 928 CG1 VAL A 61 -5.193 -8.501 -5.652 1.00 0.00 C ATOM 929 CG2 VAL A 61 -3.460 -8.341 -7.460 1.00 0.00 C ATOM 0 H VAL A 61 -5.094 -5.896 -8.939 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.130 -8.568 -8.210 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.435 -6.701 -6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.391 -8.584 -4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.046 -7.995 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.493 -9.497 -5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.685 -8.425 -6.698 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.709 -9.333 -7.836 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.096 -7.723 -8.281 1.00 0.00 H new ATOM 939 N ASP A 62 -8.152 -7.493 -7.237 1.00 0.00 N ATOM 940 CA ASP A 62 -9.401 -6.897 -6.745 1.00 0.00 C ATOM 941 C ASP A 62 -9.917 -5.822 -7.696 1.00 0.00 C ATOM 942 O ASP A 62 -10.979 -5.970 -8.301 1.00 0.00 O ATOM 943 CB ASP A 62 -9.229 -6.322 -5.331 1.00 0.00 C ATOM 944 CG ASP A 62 -10.453 -5.558 -4.856 1.00 0.00 C ATOM 945 OD1 ASP A 62 -10.381 -4.314 -4.758 1.00 0.00 O ATOM 946 OD2 ASP A 62 -11.490 -6.192 -4.573 1.00 0.00 O ATOM 0 H ASP A 62 -8.245 -8.469 -7.519 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.141 -7.696 -6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.021 -7.135 -4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.364 -5.660 -5.315 1.00 0.00 H new ATOM 952 N GLY A 63 -9.161 -4.748 -7.834 1.00 0.00 N ATOM 953 CA GLY A 63 -9.552 -3.664 -8.710 1.00 0.00 C ATOM 954 C GLY A 63 -8.375 -2.836 -9.204 1.00 0.00 C ATOM 955 O GLY A 63 -8.451 -2.229 -10.271 1.00 0.00 O ATOM 0 H GLY A 63 -8.274 -4.605 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.085 -4.074 -9.568 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.249 -3.013 -8.183 1.00 0.00 H new ATOM 959 N GLU A 64 -7.276 -2.830 -8.451 1.00 0.00 N ATOM 960 CA GLU A 64 -6.133 -1.992 -8.784 1.00 0.00 C ATOM 961 C GLU A 64 -5.109 -2.787 -9.569 1.00 0.00 C ATOM 962 O GLU A 64 -5.012 -4.009 -9.421 1.00 0.00 O ATOM 963 CB GLU A 64 -5.472 -1.426 -7.521 1.00 0.00 C ATOM 964 CG GLU A 64 -6.297 -0.377 -6.793 1.00 0.00 C ATOM 965 CD GLU A 64 -5.591 0.158 -5.562 1.00 0.00 C ATOM 966 OE1 GLU A 64 -5.805 -0.395 -4.465 1.00 0.00 O ATOM 967 OE2 GLU A 64 -4.813 1.129 -5.690 1.00 0.00 O ATOM 0 H GLU A 64 -7.156 -3.395 -7.610 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.498 -1.163 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.265 -2.248 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.511 -0.989 -7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.513 0.448 -7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.254 -0.809 -6.501 1.00 0.00 H new ATOM 975 N THR A 65 -4.353 -2.099 -10.406 1.00 0.00 N ATOM 976 CA THR A 65 -3.278 -2.738 -11.126 1.00 0.00 C ATOM 977 C THR A 65 -1.952 -2.431 -10.449 1.00 0.00 C ATOM 978 O THR A 65 -1.623 -1.278 -10.156 1.00 0.00 O ATOM 979 CB THR A 65 -3.244 -2.337 -12.622 1.00 0.00 C ATOM 980 OG1 THR A 65 -2.211 -3.065 -13.302 1.00 0.00 O ATOM 981 CG2 THR A 65 -3.027 -0.837 -12.799 1.00 0.00 C ATOM 0 H THR A 65 -4.466 -1.104 -10.600 1.00 0.00 H new ATOM 0 HA THR A 65 -3.456 -3.813 -11.101 1.00 0.00 H new ATOM 0 HB THR A 65 -4.212 -2.587 -13.055 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.072 -3.927 -12.858 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.009 -0.595 -13.862 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.839 -0.293 -12.316 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.078 -0.551 -12.346 1.00 0.00 H new ATOM 989 N TRP A 66 -1.212 -3.480 -10.167 1.00 0.00 N ATOM 990 CA TRP A 66 0.046 -3.363 -9.464 1.00 0.00 C ATOM 991 C TRP A 66 1.177 -3.872 -10.334 1.00 0.00 C ATOM 992 O TRP A 66 0.947 -4.576 -11.321 1.00 0.00 O ATOM 993 CB TRP A 66 0.003 -4.141 -8.145 1.00 0.00 C ATOM 994 CG TRP A 66 -0.982 -3.588 -7.157 1.00 0.00 C ATOM 995 CD1 TRP A 66 -2.303 -3.918 -7.039 1.00 0.00 C ATOM 996 CD2 TRP A 66 -0.721 -2.607 -6.145 1.00 0.00 C ATOM 997 NE1 TRP A 66 -2.878 -3.196 -6.021 1.00 0.00 N ATOM 998 CE2 TRP A 66 -1.926 -2.388 -5.455 1.00 0.00 C ATOM 999 CE3 TRP A 66 0.420 -1.893 -5.755 1.00 0.00 C ATOM 1000 CZ2 TRP A 66 -2.024 -1.484 -4.399 1.00 0.00 C ATOM 1001 CZ3 TRP A 66 0.317 -0.998 -4.707 1.00 0.00 C ATOM 1002 CH2 TRP A 66 -0.894 -0.805 -4.039 1.00 0.00 C ATOM 0 H TRP A 66 -1.464 -4.436 -10.418 1.00 0.00 H new ATOM 0 HA TRP A 66 0.218 -2.311 -9.237 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -0.248 -5.181 -8.354 1.00 0.00 H new ATOM 0 HB3 TRP A 66 0.997 -4.137 -7.697 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.819 -4.640 -7.655 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.855 -3.252 -5.733 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.361 -2.039 -6.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -2.960 -1.326 -3.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.188 -0.438 -4.399 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.939 -0.103 -3.219 1.00 0.00 H new ATOM 1013 N ARG A 67 2.394 -3.517 -9.969 1.00 0.00 N ATOM 1014 CA ARG A 67 3.554 -3.944 -10.716 1.00 0.00 C ATOM 1015 C ARG A 67 3.986 -5.300 -10.208 1.00 0.00 C ATOM 1016 O ARG A 67 3.936 -5.561 -9.011 1.00 0.00 O ATOM 1017 CB ARG A 67 4.709 -2.946 -10.589 1.00 0.00 C ATOM 1018 CG ARG A 67 4.430 -1.570 -11.181 1.00 0.00 C ATOM 1019 CD ARG A 67 3.387 -0.815 -10.372 1.00 0.00 C ATOM 1020 NE ARG A 67 3.352 0.616 -10.676 1.00 0.00 N ATOM 1021 CZ ARG A 67 2.337 1.426 -10.353 1.00 0.00 C ATOM 1022 NH1 ARG A 67 1.237 0.935 -9.783 1.00 0.00 N ATOM 1023 NH2 ARG A 67 2.414 2.728 -10.609 1.00 0.00 N ATOM 0 H ARG A 67 2.602 -2.933 -9.159 1.00 0.00 H new ATOM 0 HA ARG A 67 3.287 -4.000 -11.771 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.956 -2.829 -9.534 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.589 -3.365 -11.078 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.354 -0.993 -11.214 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.085 -1.678 -12.209 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.404 -1.246 -10.565 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.592 -0.950 -9.310 1.00 0.00 H new ATOM 0 HE ARG A 67 4.151 1.021 -11.164 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.165 -0.064 -9.590 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.467 1.558 -9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.248 3.112 -11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.639 3.343 -10.362 1.00 0.00 H new ATOM 1037 N ALA A 68 4.393 -6.160 -11.110 1.00 0.00 N ATOM 1038 CA ALA A 68 4.741 -7.520 -10.738 1.00 0.00 C ATOM 1039 C ALA A 68 6.055 -7.961 -11.362 1.00 0.00 C ATOM 1040 O ALA A 68 6.345 -7.653 -12.517 1.00 0.00 O ATOM 1041 CB ALA A 68 3.623 -8.468 -11.130 1.00 0.00 C ATOM 0 H ALA A 68 4.493 -5.949 -12.103 1.00 0.00 H new ATOM 0 HA ALA A 68 4.872 -7.545 -9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.893 -9.486 -10.847 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.705 -8.180 -10.617 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.467 -8.420 -12.208 1.00 0.00 H new ATOM 1047 N THR A 69 6.841 -8.681 -10.578 1.00 0.00 N ATOM 1048 CA THR A 69 8.089 -9.255 -11.045 1.00 0.00 C ATOM 1049 C THR A 69 8.095 -10.757 -10.805 1.00 0.00 C ATOM 1050 O THR A 69 7.552 -11.230 -9.803 1.00 0.00 O ATOM 1051 CB THR A 69 9.295 -8.616 -10.330 1.00 0.00 C ATOM 1052 OG1 THR A 69 9.035 -8.520 -8.922 1.00 0.00 O ATOM 1053 CG2 THR A 69 9.596 -7.236 -10.887 1.00 0.00 C ATOM 0 H THR A 69 6.630 -8.883 -9.601 1.00 0.00 H new ATOM 0 HA THR A 69 8.172 -9.055 -12.113 1.00 0.00 H new ATOM 0 HB THR A 69 10.163 -9.252 -10.500 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.806 -8.114 -8.474 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.452 -6.811 -10.363 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.824 -7.314 -11.950 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.728 -6.591 -10.749 1.00 0.00 H new ATOM 1061 N SER A 70 8.698 -11.503 -11.716 1.00 0.00 N ATOM 1062 CA SER A 70 8.730 -12.947 -11.605 1.00 0.00 C ATOM 1063 C SER A 70 9.990 -13.490 -12.283 1.00 0.00 C ATOM 1064 O SER A 70 10.862 -12.721 -12.696 1.00 0.00 O ATOM 1065 CB SER A 70 7.468 -13.546 -12.240 1.00 0.00 C ATOM 1066 OG SER A 70 7.294 -14.900 -11.863 1.00 0.00 O ATOM 0 H SER A 70 9.171 -11.130 -12.539 1.00 0.00 H new ATOM 0 HA SER A 70 8.754 -13.231 -10.553 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.596 -12.967 -11.936 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.536 -13.475 -13.326 1.00 0.00 H new ATOM 0 HG SER A 70 6.749 -14.946 -11.050 1.00 0.00 H new ATOM 1072 N GLY A 71 10.088 -14.807 -12.390 1.00 0.00 N ATOM 1073 CA GLY A 71 11.247 -15.418 -13.014 1.00 0.00 C ATOM 1074 C GLY A 71 10.919 -16.001 -14.373 1.00 0.00 C ATOM 1075 O GLY A 71 11.789 -16.537 -15.059 1.00 0.00 O ATOM 0 H GLY A 71 9.385 -15.466 -12.056 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.036 -14.674 -13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.635 -16.204 -12.366 1.00 0.00 H new ATOM 1079 N THR A 72 9.659 -15.899 -14.761 1.00 0.00 N ATOM 1080 CA THR A 72 9.206 -16.398 -16.048 1.00 0.00 C ATOM 1081 C THR A 72 8.422 -15.311 -16.771 1.00 0.00 C ATOM 1082 O THR A 72 8.038 -14.311 -16.164 1.00 0.00 O ATOM 1083 CB THR A 72 8.310 -17.643 -15.879 1.00 0.00 C ATOM 1084 OG1 THR A 72 8.734 -18.404 -14.739 1.00 0.00 O ATOM 1085 CG2 THR A 72 8.363 -18.530 -17.113 1.00 0.00 C ATOM 0 H THR A 72 8.925 -15.471 -14.197 1.00 0.00 H new ATOM 0 HA THR A 72 10.083 -16.678 -16.631 1.00 0.00 H new ATOM 0 HB THR A 72 7.286 -17.298 -15.737 1.00 0.00 H new ATOM 0 HG1 THR A 72 8.159 -19.191 -14.639 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.722 -19.399 -16.964 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.017 -17.968 -17.980 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.388 -18.860 -17.280 1.00 0.00 H new ATOM 1093 N VAL A 73 8.185 -15.507 -18.058 1.00 0.00 N ATOM 1094 CA VAL A 73 7.434 -14.547 -18.846 1.00 0.00 C ATOM 1095 C VAL A 73 5.945 -14.849 -18.755 1.00 0.00 C ATOM 1096 O VAL A 73 5.436 -15.748 -19.427 1.00 0.00 O ATOM 1097 CB VAL A 73 7.870 -14.537 -20.330 1.00 0.00 C ATOM 1098 CG1 VAL A 73 7.091 -13.495 -21.122 1.00 0.00 C ATOM 1099 CG2 VAL A 73 9.365 -14.283 -20.445 1.00 0.00 C ATOM 0 H VAL A 73 8.503 -16.324 -18.579 1.00 0.00 H new ATOM 0 HA VAL A 73 7.641 -13.560 -18.433 1.00 0.00 H new ATOM 0 HB VAL A 73 7.650 -15.517 -20.752 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.417 -13.509 -22.162 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.026 -13.722 -21.073 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.271 -12.507 -20.699 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.654 -14.279 -21.496 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.605 -13.318 -19.999 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.909 -15.070 -19.922 1.00 0.00 H new ATOM 1109 N LEU A 74 5.262 -14.115 -17.897 1.00 0.00 N ATOM 1110 CA LEU A 74 3.830 -14.283 -17.709 1.00 0.00 C ATOM 1111 C LEU A 74 3.085 -13.319 -18.616 1.00 0.00 C ATOM 1112 O LEU A 74 3.178 -12.104 -18.455 1.00 0.00 O ATOM 1113 CB LEU A 74 3.454 -14.034 -16.251 1.00 0.00 C ATOM 1114 CG LEU A 74 4.259 -14.845 -15.226 1.00 0.00 C ATOM 1115 CD1 LEU A 74 3.860 -14.469 -13.810 1.00 0.00 C ATOM 1116 CD2 LEU A 74 4.065 -16.339 -15.456 1.00 0.00 C ATOM 0 H LEU A 74 5.679 -13.390 -17.313 1.00 0.00 H new ATOM 0 HA LEU A 74 3.552 -15.305 -17.965 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.582 -12.973 -16.034 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.396 -14.260 -16.121 1.00 0.00 H new ATOM 0 HG LEU A 74 5.315 -14.609 -15.358 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.443 -15.056 -13.100 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.051 -13.408 -13.648 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.799 -14.673 -13.665 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.643 -16.898 -14.720 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.009 -16.589 -15.354 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.404 -16.600 -16.458 1.00 0.00 H new ATOM 1128 N ASP A 75 2.350 -13.864 -19.564 1.00 0.00 N ATOM 1129 CA ASP A 75 1.737 -13.053 -20.605 1.00 0.00 C ATOM 1130 C ASP A 75 0.306 -12.679 -20.229 1.00 0.00 C ATOM 1131 O ASP A 75 -0.200 -13.075 -19.175 1.00 0.00 O ATOM 1132 CB ASP A 75 1.770 -13.801 -21.942 1.00 0.00 C ATOM 1133 CG ASP A 75 1.582 -12.883 -23.131 1.00 0.00 C ATOM 1134 OD1 ASP A 75 2.561 -12.234 -23.546 1.00 0.00 O ATOM 1135 OD2 ASP A 75 0.452 -12.796 -23.648 1.00 0.00 O ATOM 0 H ASP A 75 2.161 -14.864 -19.638 1.00 0.00 H new ATOM 0 HA ASP A 75 2.308 -12.130 -20.708 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.722 -14.323 -22.038 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.988 -14.561 -21.948 1.00 0.00 H new ATOM 1141 N VAL A 76 -0.342 -11.930 -21.102 1.00 0.00 N ATOM 1142 CA VAL A 76 -1.669 -11.396 -20.840 1.00 0.00 C ATOM 1143 C VAL A 76 -2.714 -12.504 -20.866 1.00 0.00 C ATOM 1144 O VAL A 76 -2.765 -13.302 -21.802 1.00 0.00 O ATOM 1145 CB VAL A 76 -2.047 -10.318 -21.876 1.00 0.00 C ATOM 1146 CG1 VAL A 76 -3.384 -9.674 -21.530 1.00 0.00 C ATOM 1147 CG2 VAL A 76 -0.950 -9.267 -21.979 1.00 0.00 C ATOM 0 H VAL A 76 0.036 -11.674 -22.014 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.648 -10.945 -19.848 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.150 -10.802 -22.847 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.627 -8.917 -22.276 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.163 -10.436 -21.519 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.319 -9.207 -20.547 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.235 -8.515 -22.715 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.810 -8.791 -21.009 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.019 -9.742 -22.287 1.00 0.00 H new ATOM 1157 N GLY A 77 -3.537 -12.556 -19.830 1.00 0.00 N ATOM 1158 CA GLY A 77 -4.586 -13.555 -19.767 1.00 0.00 C ATOM 1159 C GLY A 77 -4.291 -14.637 -18.752 1.00 0.00 C ATOM 1160 O GLY A 77 -5.138 -15.490 -18.476 1.00 0.00 O ATOM 0 H GLY A 77 -3.498 -11.924 -19.030 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.530 -13.072 -19.515 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.712 -14.008 -20.750 1.00 0.00 H new ATOM 1164 N GLU A 78 -3.080 -14.626 -18.210 1.00 0.00 N ATOM 1165 CA GLU A 78 -2.707 -15.560 -17.178 1.00 0.00 C ATOM 1166 C GLU A 78 -3.130 -15.054 -15.811 1.00 0.00 C ATOM 1167 O GLU A 78 -3.619 -13.931 -15.670 1.00 0.00 O ATOM 1168 CB GLU A 78 -1.206 -15.783 -17.191 1.00 0.00 C ATOM 1169 CG GLU A 78 -0.689 -16.343 -18.490 1.00 0.00 C ATOM 1170 CD GLU A 78 -1.472 -17.541 -18.987 1.00 0.00 C ATOM 1171 OE1 GLU A 78 -1.831 -17.567 -20.181 1.00 0.00 O ATOM 1172 OE2 GLU A 78 -1.744 -18.455 -18.186 1.00 0.00 O ATOM 0 H GLU A 78 -2.342 -13.974 -18.476 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.217 -16.503 -17.377 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.705 -14.836 -16.989 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.941 -16.463 -16.381 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.715 -15.561 -19.249 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.355 -16.629 -18.363 1.00 0.00 H new ATOM 1180 N GLU A 79 -2.906 -15.882 -14.812 1.00 0.00 N ATOM 1181 CA GLU A 79 -3.245 -15.539 -13.439 1.00 0.00 C ATOM 1182 C GLU A 79 -2.031 -15.720 -12.544 1.00 0.00 C ATOM 1183 O GLU A 79 -1.223 -16.629 -12.750 1.00 0.00 O ATOM 1184 CB GLU A 79 -4.414 -16.389 -12.928 1.00 0.00 C ATOM 1185 CG GLU A 79 -5.677 -16.265 -13.769 1.00 0.00 C ATOM 1186 CD GLU A 79 -6.904 -16.790 -13.055 1.00 0.00 C ATOM 1187 OE1 GLU A 79 -6.907 -17.963 -12.637 1.00 0.00 O ATOM 1188 OE2 GLU A 79 -7.877 -16.025 -12.897 1.00 0.00 O ATOM 0 H GLU A 79 -2.487 -16.806 -14.923 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.555 -14.494 -13.415 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.107 -17.435 -12.902 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.641 -16.098 -11.902 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.833 -15.219 -14.031 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.543 -16.811 -14.703 1.00 0.00 H new ATOM 1196 N VAL A 80 -1.895 -14.847 -11.564 1.00 0.00 N ATOM 1197 CA VAL A 80 -0.747 -14.881 -10.674 1.00 0.00 C ATOM 1198 C VAL A 80 -1.174 -14.987 -9.220 1.00 0.00 C ATOM 1199 O VAL A 80 -2.305 -14.663 -8.867 1.00 0.00 O ATOM 1200 CB VAL A 80 0.143 -13.631 -10.831 1.00 0.00 C ATOM 1201 CG1 VAL A 80 0.782 -13.598 -12.207 1.00 0.00 C ATOM 1202 CG2 VAL A 80 -0.653 -12.357 -10.581 1.00 0.00 C ATOM 0 H VAL A 80 -2.565 -14.105 -11.363 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.175 -15.765 -10.955 1.00 0.00 H new ATOM 0 HB VAL A 80 0.934 -13.687 -10.084 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.406 -12.709 -12.297 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.397 -14.488 -12.344 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.003 -13.574 -12.969 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.001 -11.492 -10.698 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.472 -12.294 -11.297 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.056 -12.373 -9.568 1.00 0.00 H new ATOM 1212 N SER A 81 -0.259 -15.450 -8.389 1.00 0.00 N ATOM 1213 CA SER A 81 -0.474 -15.501 -6.956 1.00 0.00 C ATOM 1214 C SER A 81 0.584 -14.646 -6.268 1.00 0.00 C ATOM 1215 O SER A 81 1.780 -14.798 -6.533 1.00 0.00 O ATOM 1216 CB SER A 81 -0.409 -16.951 -6.463 1.00 0.00 C ATOM 1217 OG SER A 81 -0.820 -17.058 -5.110 1.00 0.00 O ATOM 0 H SER A 81 0.651 -15.800 -8.688 1.00 0.00 H new ATOM 0 HA SER A 81 -1.463 -15.110 -6.715 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.045 -17.578 -7.088 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.609 -17.326 -6.566 1.00 0.00 H new ATOM 0 HG SER A 81 -0.769 -17.994 -4.826 1.00 0.00 H new ATOM 1223 N VAL A 82 0.147 -13.732 -5.412 1.00 0.00 N ATOM 1224 CA VAL A 82 1.058 -12.799 -4.762 1.00 0.00 C ATOM 1225 C VAL A 82 1.732 -13.439 -3.552 1.00 0.00 C ATOM 1226 O VAL A 82 1.077 -13.777 -2.566 1.00 0.00 O ATOM 1227 CB VAL A 82 0.331 -11.510 -4.320 1.00 0.00 C ATOM 1228 CG1 VAL A 82 1.315 -10.514 -3.721 1.00 0.00 C ATOM 1229 CG2 VAL A 82 -0.415 -10.891 -5.496 1.00 0.00 C ATOM 0 H VAL A 82 -0.832 -13.617 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 82 1.818 -12.537 -5.498 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.395 -11.771 -3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.781 -9.614 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.800 -10.959 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.069 -10.255 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.922 -9.984 -5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.293 -10.645 -6.287 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.150 -11.601 -5.875 1.00 0.00 H new ATOM 1239 N LYS A 83 3.043 -13.609 -3.648 1.00 0.00 N ATOM 1240 CA LYS A 83 3.835 -14.172 -2.566 1.00 0.00 C ATOM 1241 C LYS A 83 4.159 -13.114 -1.517 1.00 0.00 C ATOM 1242 O LYS A 83 3.983 -13.341 -0.319 1.00 0.00 O ATOM 1243 CB LYS A 83 5.129 -14.752 -3.131 1.00 0.00 C ATOM 1244 CG LYS A 83 5.089 -16.245 -3.350 1.00 0.00 C ATOM 1245 CD LYS A 83 5.183 -16.953 -2.026 1.00 0.00 C ATOM 1246 CE LYS A 83 5.160 -18.461 -2.177 1.00 0.00 C ATOM 1247 NZ LYS A 83 6.177 -18.931 -3.152 1.00 0.00 N ATOM 0 H LYS A 83 3.585 -13.361 -4.476 1.00 0.00 H new ATOM 0 HA LYS A 83 3.255 -14.961 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.351 -14.262 -4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.948 -14.517 -2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.166 -16.523 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.912 -16.550 -3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.102 -16.655 -1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.354 -16.641 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.342 -18.927 -1.208 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.170 -18.779 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.643 -19.784 -2.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.714 -19.153 -4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.887 -18.185 -3.300 1.00 0.00 H new ATOM 1261 N ALA A 84 4.638 -11.966 -1.979 1.00 0.00 N ATOM 1262 CA ALA A 84 5.037 -10.884 -1.090 1.00 0.00 C ATOM 1263 C ALA A 84 5.120 -9.565 -1.854 1.00 0.00 C ATOM 1264 O ALA A 84 4.926 -9.530 -3.073 1.00 0.00 O ATOM 1265 CB ALA A 84 6.380 -11.205 -0.445 1.00 0.00 C ATOM 0 H ALA A 84 4.760 -11.760 -2.971 1.00 0.00 H new ATOM 0 HA ALA A 84 4.285 -10.782 -0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.669 -10.390 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.296 -12.128 0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.136 -11.328 -1.221 1.00 0.00 H new ATOM 1271 N ILE A 85 5.419 -8.494 -1.137 1.00 0.00 N ATOM 1272 CA ILE A 85 5.526 -7.171 -1.736 1.00 0.00 C ATOM 1273 C ILE A 85 6.989 -6.740 -1.779 1.00 0.00 C ATOM 1274 O ILE A 85 7.714 -6.894 -0.798 1.00 0.00 O ATOM 1275 CB ILE A 85 4.711 -6.126 -0.937 1.00 0.00 C ATOM 1276 CG1 ILE A 85 3.243 -6.559 -0.821 1.00 0.00 C ATOM 1277 CG2 ILE A 85 4.807 -4.755 -1.591 1.00 0.00 C ATOM 1278 CD1 ILE A 85 2.396 -5.638 0.033 1.00 0.00 C ATOM 0 H ILE A 85 5.593 -8.515 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 85 5.123 -7.226 -2.747 1.00 0.00 H new ATOM 0 HB ILE A 85 5.133 -6.061 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.810 -6.612 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.203 -7.565 -0.403 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.227 -4.035 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.850 -4.439 -1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.413 -4.808 -2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.372 -6.011 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.802 -5.603 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.403 -4.636 -0.395 1.00 0.00 H new ATOM 1290 N GLU A 86 7.416 -6.213 -2.917 1.00 0.00 N ATOM 1291 CA GLU A 86 8.780 -5.735 -3.077 1.00 0.00 C ATOM 1292 C GLU A 86 8.746 -4.274 -3.514 1.00 0.00 C ATOM 1293 O GLU A 86 8.821 -3.964 -4.708 1.00 0.00 O ATOM 1294 CB GLU A 86 9.534 -6.593 -4.107 1.00 0.00 C ATOM 1295 CG GLU A 86 11.045 -6.652 -3.897 1.00 0.00 C ATOM 1296 CD GLU A 86 11.723 -5.300 -3.995 1.00 0.00 C ATOM 1297 OE1 GLU A 86 11.911 -4.651 -2.947 1.00 0.00 O ATOM 1298 OE2 GLU A 86 12.073 -4.882 -5.119 1.00 0.00 O ATOM 0 H GLU A 86 6.833 -6.106 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 86 9.308 -5.815 -2.127 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.136 -7.607 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.333 -6.201 -5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.251 -7.083 -2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.481 -7.323 -4.638 1.00 0.00 H new ATOM 1306 N GLY A 87 8.593 -3.384 -2.546 1.00 0.00 N ATOM 1307 CA GLY A 87 8.515 -1.970 -2.843 1.00 0.00 C ATOM 1308 C GLY A 87 7.189 -1.593 -3.465 1.00 0.00 C ATOM 1309 O GLY A 87 6.143 -1.664 -2.819 1.00 0.00 O ATOM 0 H GLY A 87 8.521 -3.617 -1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.661 -1.399 -1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.324 -1.697 -3.521 1.00 0.00 H new ATOM 1313 N VAL A 88 7.239 -1.185 -4.719 1.00 0.00 N ATOM 1314 CA VAL A 88 6.040 -0.843 -5.468 1.00 0.00 C ATOM 1315 C VAL A 88 5.634 -2.029 -6.341 1.00 0.00 C ATOM 1316 O VAL A 88 4.619 -2.006 -7.042 1.00 0.00 O ATOM 1317 CB VAL A 88 6.263 0.410 -6.349 1.00 0.00 C ATOM 1318 CG1 VAL A 88 4.948 0.937 -6.910 1.00 0.00 C ATOM 1319 CG2 VAL A 88 6.981 1.501 -5.565 1.00 0.00 C ATOM 0 H VAL A 88 8.106 -1.081 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 88 5.244 -0.614 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 88 6.892 0.114 -7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.141 1.817 -7.524 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.477 0.166 -7.519 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.284 1.206 -6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.127 2.372 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.381 1.782 -4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.950 1.131 -5.230 1.00 0.00 H new ATOM 1329 N LYS A 89 6.436 -3.080 -6.274 1.00 0.00 N ATOM 1330 CA LYS A 89 6.212 -4.269 -7.079 1.00 0.00 C ATOM 1331 C LYS A 89 5.743 -5.421 -6.201 1.00 0.00 C ATOM 1332 O LYS A 89 5.896 -5.384 -4.981 1.00 0.00 O ATOM 1333 CB LYS A 89 7.505 -4.670 -7.785 1.00 0.00 C ATOM 1334 CG LYS A 89 8.201 -3.520 -8.496 1.00 0.00 C ATOM 1335 CD LYS A 89 9.529 -3.965 -9.097 1.00 0.00 C ATOM 1336 CE LYS A 89 10.457 -4.556 -8.042 1.00 0.00 C ATOM 1337 NZ LYS A 89 10.805 -3.570 -6.989 1.00 0.00 N ATOM 0 H LYS A 89 7.253 -3.133 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 89 5.444 -4.046 -7.820 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.189 -5.099 -7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.283 -5.452 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.555 -3.132 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.372 -2.705 -7.793 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.346 -4.705 -9.876 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.016 -3.114 -9.574 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.979 -5.422 -7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.369 -4.912 -8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.651 -3.893 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.997 -2.647 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.011 -3.478 -6.323 1.00 0.00 H new ATOM 1351 N LEU A 90 5.168 -6.436 -6.817 1.00 0.00 N ATOM 1352 CA LEU A 90 4.776 -7.633 -6.099 1.00 0.00 C ATOM 1353 C LEU A 90 5.559 -8.830 -6.620 1.00 0.00 C ATOM 1354 O LEU A 90 5.907 -8.892 -7.803 1.00 0.00 O ATOM 1355 CB LEU A 90 3.274 -7.897 -6.258 1.00 0.00 C ATOM 1356 CG LEU A 90 2.359 -6.746 -5.850 1.00 0.00 C ATOM 1357 CD1 LEU A 90 0.910 -7.114 -6.106 1.00 0.00 C ATOM 1358 CD2 LEU A 90 2.562 -6.382 -4.391 1.00 0.00 C ATOM 0 H LEU A 90 4.962 -6.455 -7.816 1.00 0.00 H new ATOM 0 HA LEU A 90 4.995 -7.484 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.075 -8.145 -7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.012 -8.774 -5.666 1.00 0.00 H new ATOM 0 HG LEU A 90 2.614 -5.875 -6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.267 -6.285 -5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.770 -7.323 -7.167 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.651 -7.999 -5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.898 -5.559 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.337 -7.246 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.597 -6.079 -4.232 1.00 0.00 H new ATOM 1370 N VAL A 91 5.848 -9.764 -5.737 1.00 0.00 N ATOM 1371 CA VAL A 91 6.499 -11.003 -6.126 1.00 0.00 C ATOM 1372 C VAL A 91 5.430 -12.038 -6.434 1.00 0.00 C ATOM 1373 O VAL A 91 4.742 -12.513 -5.529 1.00 0.00 O ATOM 1374 CB VAL A 91 7.428 -11.531 -5.014 1.00 0.00 C ATOM 1375 CG1 VAL A 91 8.156 -12.789 -5.472 1.00 0.00 C ATOM 1376 CG2 VAL A 91 8.422 -10.457 -4.593 1.00 0.00 C ATOM 0 H VAL A 91 5.642 -9.690 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 91 7.114 -10.812 -7.006 1.00 0.00 H new ATOM 0 HB VAL A 91 6.816 -11.789 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.806 -13.145 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.428 -13.562 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.756 -12.562 -6.353 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.069 -10.848 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.028 -10.166 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.881 -9.588 -4.219 1.00 0.00 H new ATOM 1386 N VAL A 92 5.270 -12.367 -7.703 1.00 0.00 N ATOM 1387 CA VAL A 92 4.161 -13.209 -8.120 1.00 0.00 C ATOM 1388 C VAL A 92 4.629 -14.498 -8.780 1.00 0.00 C ATOM 1389 O VAL A 92 5.681 -14.545 -9.421 1.00 0.00 O ATOM 1390 CB VAL A 92 3.218 -12.463 -9.086 1.00 0.00 C ATOM 1391 CG1 VAL A 92 2.554 -11.287 -8.387 1.00 0.00 C ATOM 1392 CG2 VAL A 92 3.966 -12.003 -10.331 1.00 0.00 C ATOM 0 H VAL A 92 5.887 -12.068 -8.458 1.00 0.00 H new ATOM 0 HA VAL A 92 3.620 -13.464 -7.209 1.00 0.00 H new ATOM 0 HB VAL A 92 2.438 -13.156 -9.401 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.893 -10.774 -9.086 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.974 -11.649 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.318 -10.594 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.279 -11.480 -10.996 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.774 -11.331 -10.042 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.381 -12.869 -10.847 1.00 0.00 H new ATOM 1402 N GLU A 93 3.832 -15.540 -8.607 1.00 0.00 N ATOM 1403 CA GLU A 93 4.046 -16.806 -9.293 1.00 0.00 C ATOM 1404 C GLU A 93 2.852 -17.073 -10.186 1.00 0.00 C ATOM 1405 O GLU A 93 1.817 -16.422 -10.042 1.00 0.00 O ATOM 1406 CB GLU A 93 4.206 -17.957 -8.296 1.00 0.00 C ATOM 1407 CG GLU A 93 5.384 -17.802 -7.354 1.00 0.00 C ATOM 1408 CD GLU A 93 5.500 -18.960 -6.388 1.00 0.00 C ATOM 1409 OE1 GLU A 93 4.742 -18.994 -5.396 1.00 0.00 O ATOM 1410 OE2 GLU A 93 6.359 -19.842 -6.603 1.00 0.00 O ATOM 0 H GLU A 93 3.020 -15.533 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 93 4.962 -16.742 -9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.293 -18.043 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.317 -18.890 -8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.303 -17.722 -7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.279 -16.873 -6.794 1.00 0.00 H new ATOM 1418 N LYS A 94 2.975 -18.023 -11.094 1.00 0.00 N ATOM 1419 CA LYS A 94 1.872 -18.342 -11.980 1.00 0.00 C ATOM 1420 C LYS A 94 0.898 -19.275 -11.284 1.00 0.00 C ATOM 1421 O LYS A 94 1.286 -20.320 -10.759 1.00 0.00 O ATOM 1422 CB LYS A 94 2.370 -18.984 -13.270 1.00 0.00 C ATOM 1423 CG LYS A 94 1.309 -19.036 -14.359 1.00 0.00 C ATOM 1424 CD LYS A 94 1.815 -19.751 -15.601 1.00 0.00 C ATOM 1425 CE LYS A 94 0.883 -19.549 -16.785 1.00 0.00 C ATOM 1426 NZ LYS A 94 -0.497 -20.018 -16.507 1.00 0.00 N ATOM 0 H LYS A 94 3.817 -18.581 -11.237 1.00 0.00 H new ATOM 0 HA LYS A 94 1.364 -17.412 -12.235 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.232 -18.427 -13.637 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.713 -19.996 -13.056 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.423 -19.546 -13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.006 -18.022 -14.621 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.809 -19.382 -15.853 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.913 -20.816 -15.393 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.858 -18.491 -17.048 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.278 -20.083 -17.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.105 -19.812 -17.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.487 -21.043 -16.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.868 -19.528 -15.668 1.00 0.00 H new ATOM 1440 N LEU A 95 -0.360 -18.887 -11.271 1.00 0.00 N ATOM 1441 CA LEU A 95 -1.396 -19.672 -10.639 1.00 0.00 C ATOM 1442 C LEU A 95 -2.108 -20.496 -11.696 1.00 0.00 C ATOM 1443 O LEU A 95 -2.341 -20.025 -12.811 1.00 0.00 O ATOM 1444 CB LEU A 95 -2.372 -18.736 -9.918 1.00 0.00 C ATOM 1445 CG LEU A 95 -3.085 -19.302 -8.687 1.00 0.00 C ATOM 1446 CD1 LEU A 95 -4.213 -20.243 -9.078 1.00 0.00 C ATOM 1447 CD2 LEU A 95 -2.096 -20.013 -7.777 1.00 0.00 C ATOM 0 H LEU A 95 -0.691 -18.021 -11.697 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.964 -20.350 -9.903 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.826 -17.843 -9.614 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.130 -18.418 -10.634 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.523 -18.463 -8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.696 -20.625 -8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.944 -19.704 -9.681 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.809 -21.075 -9.655 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.621 -20.409 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.625 -20.832 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.331 -19.308 -7.450 1.00 0.00 H new