USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 541 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 43 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 47 LYS NZ :NH3+ -131:sc= 1.61 (180deg=-0.291) USER MOD Single : A 51 GLN : amide:sc= 0.532 K(o=0.53,f=-0.39) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.19! K(o=-2.2!,f=-0.64) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.1! C(o=-2.1!,f=-4.1!) USER MOD Single : A 82 THR OG1 : rot -44:sc= 1.2 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00515 USER MOD Single : A 87 SER OG : rot 67:sc= 1.14 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.068) USER MOD Single : A 100 ASN : amide:sc= -0.153 K(o=-0.15,f=-2.7!) USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 108 LYS NZ :NH3+ -169:sc=-0.00369 (180deg=-0.16) USER MOD Single : A 113 SER OG : rot -35:sc= 0.254 USER MOD Single : A 115 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0352) USER MOD ----------------------------------------------------------------- ATOM 675 N ASN A 43 14.462 -2.407 -3.011 1.00 0.00 N ATOM 676 CA ASN A 43 15.135 -2.219 -1.742 1.00 0.00 C ATOM 677 C ASN A 43 16.611 -2.444 -1.922 1.00 0.00 C ATOM 678 O ASN A 43 17.014 -3.464 -2.481 1.00 0.00 O ATOM 679 CB ASN A 43 14.584 -3.200 -0.688 1.00 0.00 C ATOM 680 CG ASN A 43 13.091 -3.046 -0.431 1.00 0.00 C ATOM 681 OD1 ASN A 43 12.665 -2.258 0.411 1.00 0.00 O ATOM 682 ND2 ASN A 43 12.288 -3.819 -1.130 1.00 0.00 N ATOM 0 HA ASN A 43 14.958 -1.201 -1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.784 -4.221 -1.014 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.122 -3.053 0.249 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.280 -3.775 -0.981 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.673 -4.462 -1.821 1.00 0.00 H new ATOM 689 N LEU A 44 17.422 -1.507 -1.480 1.00 0.00 N ATOM 690 CA LEU A 44 18.856 -1.642 -1.635 1.00 0.00 C ATOM 691 C LEU A 44 19.652 -1.377 -0.367 1.00 0.00 C ATOM 692 O LEU A 44 19.155 -0.835 0.639 1.00 0.00 O ATOM 693 CB LEU A 44 19.400 -0.771 -2.782 1.00 0.00 C ATOM 694 CG LEU A 44 19.067 -1.220 -4.208 1.00 0.00 C ATOM 695 CD1 LEU A 44 19.607 -0.220 -5.217 1.00 0.00 C ATOM 696 CD2 LEU A 44 19.647 -2.606 -4.486 1.00 0.00 C ATOM 0 H LEU A 44 17.118 -0.652 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 44 18.999 -2.694 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 44 19.022 0.242 -2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 44 20.485 -0.722 -2.686 1.00 0.00 H new ATOM 0 HG LEU A 44 17.982 -1.270 -4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 44 19.363 -0.553 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 44 19.157 0.757 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 44 20.689 -0.145 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 44 19.399 -2.907 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 44 20.730 -2.577 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 44 19.226 -3.324 -3.783 1.00 0.00 H new ATOM 708 N ILE A 45 20.880 -1.787 -0.449 1.00 0.00 N ATOM 709 CA ILE A 45 21.900 -1.606 0.542 1.00 0.00 C ATOM 710 C ILE A 45 23.127 -1.079 -0.168 1.00 0.00 C ATOM 711 O ILE A 45 23.462 -1.542 -1.258 1.00 0.00 O ATOM 712 CB ILE A 45 22.263 -2.960 1.268 1.00 0.00 C ATOM 713 CG1 ILE A 45 23.711 -2.957 1.809 1.00 0.00 C ATOM 714 CG2 ILE A 45 22.035 -4.150 0.374 1.00 0.00 C ATOM 715 CD1 ILE A 45 23.922 -2.254 3.098 1.00 0.00 C ATOM 0 H ILE A 45 21.221 -2.292 -1.267 1.00 0.00 H new ATOM 0 HA ILE A 45 21.541 -0.915 1.304 1.00 0.00 H new ATOM 0 HB ILE A 45 21.590 -3.044 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 45 24.037 -3.991 1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 45 24.357 -2.501 1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 45 22.296 -5.063 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 45 20.986 -4.189 0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.658 -4.061 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.973 -2.317 3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 45 23.636 -1.207 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.311 -2.721 3.871 1.00 0.00 H new ATOM 727 N VAL A 46 23.756 -0.119 0.419 1.00 0.00 N ATOM 728 CA VAL A 46 24.964 0.428 -0.106 1.00 0.00 C ATOM 729 C VAL A 46 26.067 0.178 0.894 1.00 0.00 C ATOM 730 O VAL A 46 25.917 0.483 2.083 1.00 0.00 O ATOM 731 CB VAL A 46 24.832 1.933 -0.330 1.00 0.00 C ATOM 732 CG1 VAL A 46 26.143 2.540 -0.783 1.00 0.00 C ATOM 733 CG2 VAL A 46 23.745 2.244 -1.326 1.00 0.00 C ATOM 0 H VAL A 46 23.444 0.315 1.288 1.00 0.00 H new ATOM 0 HA VAL A 46 25.184 -0.045 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 46 24.560 2.378 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 46 26.015 3.612 -0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 46 26.905 2.369 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.454 2.077 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 46 23.676 3.323 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 46 23.979 1.771 -2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 46 22.793 1.864 -0.956 1.00 0.00 H new ATOM 743 N LYS A 47 27.140 -0.385 0.440 1.00 0.00 N ATOM 744 CA LYS A 47 28.254 -0.670 1.281 1.00 0.00 C ATOM 745 C LYS A 47 29.491 -0.838 0.444 1.00 0.00 C ATOM 746 O LYS A 47 29.501 -1.588 -0.524 1.00 0.00 O ATOM 747 CB LYS A 47 27.969 -1.860 2.204 1.00 0.00 C ATOM 748 CG LYS A 47 27.516 -3.131 1.519 1.00 0.00 C ATOM 749 CD LYS A 47 27.002 -4.140 2.533 1.00 0.00 C ATOM 750 CE LYS A 47 27.982 -4.394 3.651 1.00 0.00 C ATOM 751 NZ LYS A 47 29.231 -4.926 3.155 1.00 0.00 N ATOM 0 H LYS A 47 27.268 -0.662 -0.533 1.00 0.00 H new ATOM 0 HA LYS A 47 28.432 0.173 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.872 -2.079 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 47 27.204 -1.564 2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 47 26.731 -2.901 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 47 28.346 -3.563 0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.063 -3.780 2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 47 26.784 -5.080 2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 47 28.170 -3.465 4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 47 27.547 -5.093 4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 29.497 -5.764 3.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 29.122 -5.194 2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 29.974 -4.204 3.241 1.00 0.00 H new ATOM 764 N ALA A 48 30.510 -0.121 0.808 1.00 0.00 N ATOM 765 CA ALA A 48 31.708 -0.028 0.023 1.00 0.00 C ATOM 766 C ALA A 48 32.905 0.064 0.926 1.00 0.00 C ATOM 767 O ALA A 48 32.754 0.105 2.155 1.00 0.00 O ATOM 768 CB ALA A 48 31.629 1.188 -0.895 1.00 0.00 C ATOM 0 H ALA A 48 30.536 0.424 1.670 1.00 0.00 H new ATOM 0 HA ALA A 48 31.809 -0.922 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 48 32.540 1.255 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 48 30.770 1.088 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.520 2.091 -0.294 1.00 0.00 H new ATOM 774 N ASP A 49 34.083 0.078 0.326 1.00 0.00 N ATOM 775 CA ASP A 49 35.343 0.159 1.063 1.00 0.00 C ATOM 776 C ASP A 49 35.537 1.578 1.579 1.00 0.00 C ATOM 777 O ASP A 49 36.124 1.800 2.640 1.00 0.00 O ATOM 778 CB ASP A 49 36.516 -0.229 0.145 1.00 0.00 C ATOM 779 CG ASP A 49 37.849 -0.286 0.862 1.00 0.00 C ATOM 780 OD1 ASP A 49 38.559 0.741 0.941 1.00 0.00 O ATOM 781 OD2 ASP A 49 38.238 -1.373 1.324 1.00 0.00 O ATOM 0 H ASP A 49 34.198 0.034 -0.686 1.00 0.00 H new ATOM 0 HA ASP A 49 35.312 -0.532 1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 49 36.311 -1.202 -0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 49 36.582 0.490 -0.671 1.00 0.00 H new ATOM 786 N VAL A 50 35.034 2.531 0.820 1.00 0.00 N ATOM 787 CA VAL A 50 35.091 3.917 1.183 1.00 0.00 C ATOM 788 C VAL A 50 33.785 4.306 1.892 1.00 0.00 C ATOM 789 O VAL A 50 32.688 4.183 1.328 1.00 0.00 O ATOM 790 CB VAL A 50 35.332 4.808 -0.065 1.00 0.00 C ATOM 791 CG1 VAL A 50 35.335 6.269 0.308 1.00 0.00 C ATOM 792 CG2 VAL A 50 36.645 4.445 -0.739 1.00 0.00 C ATOM 0 H VAL A 50 34.572 2.355 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 50 35.929 4.076 1.862 1.00 0.00 H new ATOM 0 HB VAL A 50 34.515 4.629 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 50 35.506 6.872 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 50 34.373 6.534 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 50 36.128 6.458 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 50 36.794 5.081 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.467 4.592 -0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 50 36.617 3.401 -1.052 1.00 0.00 H new ATOM 802 N GLN A 51 33.924 4.787 3.101 1.00 0.00 N ATOM 803 CA GLN A 51 32.814 5.115 3.989 1.00 0.00 C ATOM 804 C GLN A 51 31.919 6.188 3.425 1.00 0.00 C ATOM 805 O GLN A 51 30.723 6.022 3.376 1.00 0.00 O ATOM 806 CB GLN A 51 33.380 5.438 5.392 1.00 0.00 C ATOM 807 CG GLN A 51 32.390 5.757 6.525 1.00 0.00 C ATOM 808 CD GLN A 51 31.865 7.184 6.513 1.00 0.00 C ATOM 809 OE1 GLN A 51 32.492 8.096 7.064 1.00 0.00 O ATOM 810 NE2 GLN A 51 30.698 7.376 5.986 1.00 0.00 N ATOM 0 H GLN A 51 34.837 4.971 3.517 1.00 0.00 H new ATOM 0 HA GLN A 51 32.154 4.253 4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 51 33.985 4.589 5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 51 34.053 6.289 5.290 1.00 0.00 H new ATOM 0 HG2 GLN A 51 31.546 5.071 6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 51 32.878 5.570 7.482 1.00 0.00 H new ATOM 0 HE21 GLN A 51 30.207 6.602 5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 51 30.270 8.301 6.018 1.00 0.00 H new ATOM 819 N GLY A 52 32.460 7.244 2.951 1.00 0.00 N ATOM 820 CA GLY A 52 31.601 8.274 2.451 1.00 0.00 C ATOM 821 C GLY A 52 31.186 8.051 1.033 1.00 0.00 C ATOM 822 O GLY A 52 30.468 8.873 0.457 1.00 0.00 O ATOM 0 H GLY A 52 33.462 7.427 2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.712 8.334 3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 52 32.111 9.234 2.528 1.00 0.00 H new ATOM 826 N SER A 53 31.569 6.917 0.482 1.00 0.00 N ATOM 827 CA SER A 53 31.191 6.588 -0.854 1.00 0.00 C ATOM 828 C SER A 53 29.815 6.000 -0.744 1.00 0.00 C ATOM 829 O SER A 53 28.963 6.155 -1.636 1.00 0.00 O ATOM 830 CB SER A 53 32.179 5.589 -1.474 1.00 0.00 C ATOM 831 OG SER A 53 31.944 5.396 -2.853 1.00 0.00 O ATOM 0 H SER A 53 32.142 6.215 0.949 1.00 0.00 H new ATOM 0 HA SER A 53 31.201 7.461 -1.506 1.00 0.00 H new ATOM 0 HB2 SER A 53 33.197 5.948 -1.327 1.00 0.00 H new ATOM 0 HB3 SER A 53 32.100 4.633 -0.956 1.00 0.00 H new ATOM 0 HG SER A 53 32.594 4.755 -3.209 1.00 0.00 H new ATOM 837 N VAL A 54 29.566 5.384 0.416 1.00 0.00 N ATOM 838 CA VAL A 54 28.290 4.848 0.691 1.00 0.00 C ATOM 839 C VAL A 54 27.326 5.986 0.910 1.00 0.00 C ATOM 840 O VAL A 54 26.268 6.020 0.309 1.00 0.00 O ATOM 841 CB VAL A 54 28.271 3.845 1.885 1.00 0.00 C ATOM 842 CG1 VAL A 54 29.337 2.798 1.751 1.00 0.00 C ATOM 843 CG2 VAL A 54 28.280 4.467 3.268 1.00 0.00 C ATOM 0 H VAL A 54 30.252 5.260 1.161 1.00 0.00 H new ATOM 0 HA VAL A 54 27.986 4.256 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 54 27.294 3.368 1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 54 29.290 2.119 2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 54 29.181 2.236 0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 54 30.316 3.277 1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.265 3.679 4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 54 29.180 5.069 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.401 5.100 3.388 1.00 0.00 H new ATOM 853 N GLU A 55 27.756 6.966 1.705 1.00 0.00 N ATOM 854 CA GLU A 55 26.920 8.133 2.010 1.00 0.00 C ATOM 855 C GLU A 55 26.545 8.911 0.762 1.00 0.00 C ATOM 856 O GLU A 55 25.397 9.358 0.623 1.00 0.00 O ATOM 857 CB GLU A 55 27.582 9.068 3.005 1.00 0.00 C ATOM 858 CG GLU A 55 27.779 8.483 4.381 1.00 0.00 C ATOM 859 CD GLU A 55 28.279 9.518 5.348 1.00 0.00 C ATOM 860 OE1 GLU A 55 29.502 9.720 5.445 1.00 0.00 O ATOM 861 OE2 GLU A 55 27.456 10.169 6.010 1.00 0.00 O ATOM 0 H GLU A 55 28.674 6.978 2.149 1.00 0.00 H new ATOM 0 HA GLU A 55 26.011 7.733 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 55 28.552 9.369 2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 55 26.979 9.972 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 55 26.837 8.071 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 55 28.489 7.658 4.329 1.00 0.00 H new ATOM 868 N ALA A 56 27.503 9.054 -0.145 1.00 0.00 N ATOM 869 CA ALA A 56 27.287 9.766 -1.392 1.00 0.00 C ATOM 870 C ALA A 56 26.224 9.071 -2.236 1.00 0.00 C ATOM 871 O ALA A 56 25.361 9.721 -2.829 1.00 0.00 O ATOM 872 CB ALA A 56 28.591 9.887 -2.169 1.00 0.00 C ATOM 0 H ALA A 56 28.446 8.681 -0.035 1.00 0.00 H new ATOM 0 HA ALA A 56 26.931 10.768 -1.155 1.00 0.00 H new ATOM 0 HB1 ALA A 56 28.411 10.423 -3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 56 29.321 10.433 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 56 28.976 8.892 -2.392 1.00 0.00 H new ATOM 878 N LEU A 57 26.261 7.753 -2.249 1.00 0.00 N ATOM 879 CA LEU A 57 25.307 6.995 -3.018 1.00 0.00 C ATOM 880 C LEU A 57 23.950 6.989 -2.316 1.00 0.00 C ATOM 881 O LEU A 57 22.922 7.145 -2.955 1.00 0.00 O ATOM 882 CB LEU A 57 25.829 5.571 -3.297 1.00 0.00 C ATOM 883 CG LEU A 57 24.918 4.653 -4.132 1.00 0.00 C ATOM 884 CD1 LEU A 57 24.548 5.311 -5.457 1.00 0.00 C ATOM 885 CD2 LEU A 57 25.615 3.330 -4.406 1.00 0.00 C ATOM 0 H LEU A 57 26.940 7.191 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 57 25.173 7.474 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 57 26.788 5.654 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 57 26.018 5.084 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 57 24.007 4.475 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 57 23.904 4.642 -6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.021 6.245 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 57 25.454 5.516 -6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 57 24.961 2.690 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.538 3.512 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 57 25.847 2.838 -3.461 1.00 0.00 H new ATOM 897 N VAL A 58 23.966 6.876 -0.995 1.00 0.00 N ATOM 898 CA VAL A 58 22.745 6.897 -0.170 1.00 0.00 C ATOM 899 C VAL A 58 21.944 8.174 -0.393 1.00 0.00 C ATOM 900 O VAL A 58 20.717 8.141 -0.467 1.00 0.00 O ATOM 901 CB VAL A 58 23.081 6.734 1.343 1.00 0.00 C ATOM 902 CG1 VAL A 58 21.871 6.996 2.237 1.00 0.00 C ATOM 903 CG2 VAL A 58 23.595 5.346 1.599 1.00 0.00 C ATOM 0 H VAL A 58 24.824 6.766 -0.455 1.00 0.00 H new ATOM 0 HA VAL A 58 22.134 6.050 -0.482 1.00 0.00 H new ATOM 0 HB VAL A 58 23.842 7.475 1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 58 22.156 6.870 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 58 21.515 8.014 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 58 21.077 6.291 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 58 23.829 5.234 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 58 22.834 4.618 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.495 5.177 1.008 1.00 0.00 H new ATOM 913 N ALA A 59 22.635 9.277 -0.555 1.00 0.00 N ATOM 914 CA ALA A 59 21.986 10.580 -0.753 1.00 0.00 C ATOM 915 C ALA A 59 21.297 10.677 -2.097 1.00 0.00 C ATOM 916 O ALA A 59 20.391 11.498 -2.285 1.00 0.00 O ATOM 917 CB ALA A 59 22.958 11.727 -0.545 1.00 0.00 C ATOM 0 H ALA A 59 23.654 9.312 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 59 21.211 10.663 0.009 1.00 0.00 H new ATOM 0 HB1 ALA A 59 22.442 12.674 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 59 23.352 11.690 0.471 1.00 0.00 H new ATOM 0 HB3 ALA A 59 23.780 11.641 -1.256 1.00 0.00 H new ATOM 923 N ALA A 60 21.679 9.824 -2.999 1.00 0.00 N ATOM 924 CA ALA A 60 21.079 9.804 -4.295 1.00 0.00 C ATOM 925 C ALA A 60 20.044 8.736 -4.313 1.00 0.00 C ATOM 926 O ALA A 60 19.023 8.862 -4.941 1.00 0.00 O ATOM 927 CB ALA A 60 22.119 9.553 -5.366 1.00 0.00 C ATOM 0 H ALA A 60 22.410 9.127 -2.857 1.00 0.00 H new ATOM 0 HA ALA A 60 20.622 10.771 -4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.638 9.542 -6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.868 10.344 -5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 60 22.600 8.591 -5.187 1.00 0.00 H new ATOM 933 N LEU A 61 20.287 7.727 -3.534 1.00 0.00 N ATOM 934 CA LEU A 61 19.460 6.562 -3.495 1.00 0.00 C ATOM 935 C LEU A 61 18.156 6.855 -2.769 1.00 0.00 C ATOM 936 O LEU A 61 17.104 6.386 -3.158 1.00 0.00 O ATOM 937 CB LEU A 61 20.231 5.420 -2.839 1.00 0.00 C ATOM 938 CG LEU A 61 20.197 4.073 -3.564 1.00 0.00 C ATOM 939 CD1 LEU A 61 18.784 3.545 -3.681 1.00 0.00 C ATOM 940 CD2 LEU A 61 20.843 4.204 -4.939 1.00 0.00 C ATOM 0 H LEU A 61 21.081 7.690 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 61 19.199 6.263 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.272 5.726 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.839 5.276 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 61 20.766 3.354 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.795 2.587 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.362 3.412 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.176 4.255 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.814 3.240 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.298 4.942 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.879 4.524 -4.825 1.00 0.00 H new ATOM 952 N GLN A 62 18.229 7.676 -1.747 1.00 0.00 N ATOM 953 CA GLN A 62 17.047 8.056 -0.989 1.00 0.00 C ATOM 954 C GLN A 62 16.114 8.942 -1.826 1.00 0.00 C ATOM 955 O GLN A 62 14.915 9.030 -1.555 1.00 0.00 O ATOM 956 CB GLN A 62 17.443 8.744 0.327 1.00 0.00 C ATOM 957 CG GLN A 62 18.272 10.007 0.155 1.00 0.00 C ATOM 958 CD GLN A 62 18.805 10.532 1.468 1.00 0.00 C ATOM 959 OE1 GLN A 62 18.173 11.341 2.136 1.00 0.00 O ATOM 960 NE2 GLN A 62 19.965 10.069 1.851 1.00 0.00 N ATOM 0 H GLN A 62 19.096 8.098 -1.416 1.00 0.00 H new ATOM 0 HA GLN A 62 16.497 7.148 -0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.537 8.992 0.879 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.004 8.037 0.937 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.106 9.802 -0.516 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.663 10.776 -0.320 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.463 9.396 1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.373 10.381 2.733 1.00 0.00 H new ATOM 969 N LYS A 63 16.669 9.569 -2.857 1.00 0.00 N ATOM 970 CA LYS A 63 15.880 10.435 -3.721 1.00 0.00 C ATOM 971 C LYS A 63 15.457 9.739 -5.038 1.00 0.00 C ATOM 972 O LYS A 63 14.888 10.376 -5.923 1.00 0.00 O ATOM 973 CB LYS A 63 16.587 11.768 -4.004 1.00 0.00 C ATOM 974 CG LYS A 63 17.862 11.661 -4.820 1.00 0.00 C ATOM 975 CD LYS A 63 18.462 13.024 -5.121 1.00 0.00 C ATOM 976 CE LYS A 63 17.510 13.886 -5.950 1.00 0.00 C ATOM 977 NZ LYS A 63 18.068 15.216 -6.234 1.00 0.00 N ATOM 0 H LYS A 63 17.654 9.494 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 63 14.967 10.655 -3.168 1.00 0.00 H new ATOM 0 HB2 LYS A 63 15.893 12.425 -4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 63 16.822 12.246 -3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.589 11.057 -4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.651 11.143 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.695 13.534 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.402 12.898 -5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.288 13.379 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.566 13.997 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.388 15.765 -6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.256 15.712 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.956 15.114 -6.766 1.00 0.00 H new ATOM 1098 N VAL A 71 12.939 3.403 -5.305 1.00 0.00 N ATOM 1099 CA VAL A 71 14.089 2.658 -4.903 1.00 0.00 C ATOM 1100 C VAL A 71 14.664 3.388 -3.720 1.00 0.00 C ATOM 1101 O VAL A 71 14.794 4.612 -3.768 1.00 0.00 O ATOM 1102 CB VAL A 71 15.141 2.615 -6.042 1.00 0.00 C ATOM 1103 CG1 VAL A 71 16.346 1.761 -5.676 1.00 0.00 C ATOM 1104 CG2 VAL A 71 14.517 2.168 -7.363 1.00 0.00 C ATOM 0 HA VAL A 71 13.821 1.629 -4.662 1.00 0.00 H new ATOM 0 HB VAL A 71 15.504 3.634 -6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.056 1.760 -6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.825 2.170 -4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.021 0.740 -5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.282 2.149 -8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.094 1.170 -7.246 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.729 2.865 -7.647 1.00 0.00 H new ATOM 1114 N LYS A 72 14.963 2.685 -2.664 1.00 0.00 N ATOM 1115 CA LYS A 72 15.479 3.325 -1.484 1.00 0.00 C ATOM 1116 C LYS A 72 16.412 2.382 -0.739 1.00 0.00 C ATOM 1117 O LYS A 72 16.353 1.158 -0.908 1.00 0.00 O ATOM 1118 CB LYS A 72 14.318 3.822 -0.578 1.00 0.00 C ATOM 1119 CG LYS A 72 14.756 4.631 0.655 1.00 0.00 C ATOM 1120 CD LYS A 72 13.577 5.207 1.431 1.00 0.00 C ATOM 1121 CE LYS A 72 12.671 4.123 1.999 1.00 0.00 C ATOM 1122 NZ LYS A 72 11.541 4.694 2.768 1.00 0.00 N ATOM 0 H LYS A 72 14.859 1.673 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 72 16.057 4.200 -1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.647 4.437 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.744 2.958 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.342 3.991 1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.409 5.444 0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.950 5.828 2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.996 5.856 0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.283 3.511 1.185 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.253 3.465 2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.948 3.924 3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.910 5.258 3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.970 5.302 2.147 1.00 0.00 H new ATOM 1135 N ILE A 73 17.261 2.957 0.059 1.00 0.00 N ATOM 1136 CA ILE A 73 18.219 2.235 0.833 1.00 0.00 C ATOM 1137 C ILE A 73 17.715 1.944 2.242 1.00 0.00 C ATOM 1138 O ILE A 73 16.968 2.733 2.823 1.00 0.00 O ATOM 1139 CB ILE A 73 19.591 2.961 0.883 1.00 0.00 C ATOM 1140 CG1 ILE A 73 19.465 4.513 0.911 1.00 0.00 C ATOM 1141 CG2 ILE A 73 20.449 2.521 -0.266 1.00 0.00 C ATOM 1142 CD1 ILE A 73 18.805 5.110 2.146 1.00 0.00 C ATOM 0 H ILE A 73 17.306 3.967 0.191 1.00 0.00 H new ATOM 0 HA ILE A 73 18.363 1.280 0.327 1.00 0.00 H new ATOM 0 HB ILE A 73 20.064 2.677 1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 73 20.463 4.940 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.899 4.827 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 73 21.409 3.036 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 73 20.612 1.445 -0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 73 19.951 2.762 -1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 73 18.773 6.196 2.053 1.00 0.00 H new ATOM 0 HD12 ILE A 73 17.790 4.724 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 73 19.379 4.839 3.032 1.00 0.00 H new ATOM 1154 N ILE A 74 18.067 0.801 2.759 1.00 0.00 N ATOM 1155 CA ILE A 74 17.689 0.446 4.123 1.00 0.00 C ATOM 1156 C ILE A 74 18.933 0.386 4.993 1.00 0.00 C ATOM 1157 O ILE A 74 18.893 0.597 6.212 1.00 0.00 O ATOM 1158 CB ILE A 74 16.896 -0.929 4.218 1.00 0.00 C ATOM 1159 CG1 ILE A 74 15.618 -0.942 3.356 1.00 0.00 C ATOM 1160 CG2 ILE A 74 16.515 -1.254 5.662 1.00 0.00 C ATOM 1161 CD1 ILE A 74 15.841 -1.087 1.869 1.00 0.00 C ATOM 0 H ILE A 74 18.613 0.092 2.269 1.00 0.00 H new ATOM 0 HA ILE A 74 17.010 1.221 4.478 1.00 0.00 H new ATOM 0 HB ILE A 74 17.579 -1.687 3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 74 14.982 -1.761 3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.070 -0.017 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 74 15.974 -2.200 5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.418 -1.333 6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.881 -0.461 6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.880 -1.085 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 74 16.447 -0.255 1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 74 16.357 -2.026 1.668 1.00 0.00 H new ATOM 1173 N HIS A 75 20.040 0.191 4.370 1.00 0.00 N ATOM 1174 CA HIS A 75 21.242 -0.051 5.085 1.00 0.00 C ATOM 1175 C HIS A 75 22.417 0.526 4.284 1.00 0.00 C ATOM 1176 O HIS A 75 22.428 0.456 3.049 1.00 0.00 O ATOM 1177 CB HIS A 75 21.329 -1.591 5.283 1.00 0.00 C ATOM 1178 CG HIS A 75 22.469 -2.162 6.119 1.00 0.00 C ATOM 1179 ND1 HIS A 75 23.230 -1.442 7.012 1.00 0.00 N ATOM 1180 CD2 HIS A 75 22.991 -3.422 6.127 1.00 0.00 C ATOM 1181 CE1 HIS A 75 24.171 -2.224 7.515 1.00 0.00 C ATOM 1182 NE2 HIS A 75 24.048 -3.430 6.993 1.00 0.00 N ATOM 0 H HIS A 75 20.139 0.195 3.355 1.00 0.00 H new ATOM 0 HA HIS A 75 21.269 0.432 6.062 1.00 0.00 H new ATOM 0 HB2 HIS A 75 20.393 -1.919 5.735 1.00 0.00 H new ATOM 0 HB3 HIS A 75 21.384 -2.048 4.295 1.00 0.00 H new ATOM 0 HD2 HIS A 75 22.633 -4.263 5.552 1.00 0.00 H new ATOM 0 HE1 HIS A 75 24.918 -1.924 8.235 1.00 0.00 H new ATOM 0 HE2 HIS A 75 24.642 -4.233 7.201 1.00 0.00 H new ATOM 1190 N ALA A 76 23.334 1.140 4.982 1.00 0.00 N ATOM 1191 CA ALA A 76 24.549 1.706 4.430 1.00 0.00 C ATOM 1192 C ALA A 76 25.650 1.408 5.415 1.00 0.00 C ATOM 1193 O ALA A 76 25.412 1.521 6.618 1.00 0.00 O ATOM 1194 CB ALA A 76 24.387 3.208 4.293 1.00 0.00 C ATOM 0 H ALA A 76 23.258 1.268 5.991 1.00 0.00 H new ATOM 0 HA ALA A 76 24.772 1.288 3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 76 25.300 3.636 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 76 23.550 3.425 3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 76 24.195 3.644 5.273 1.00 0.00 H new ATOM 1200 N ALA A 77 26.815 0.991 4.954 1.00 0.00 N ATOM 1201 CA ALA A 77 27.914 0.662 5.870 1.00 0.00 C ATOM 1202 C ALA A 77 29.240 0.608 5.145 1.00 0.00 C ATOM 1203 O ALA A 77 29.283 0.406 3.936 1.00 0.00 O ATOM 1204 CB ALA A 77 27.656 -0.678 6.557 1.00 0.00 C ATOM 0 H ALA A 77 27.032 0.870 3.965 1.00 0.00 H new ATOM 0 HA ALA A 77 27.961 1.452 6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 77 28.481 -0.906 7.232 1.00 0.00 H new ATOM 0 HB2 ALA A 77 26.727 -0.623 7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 77 27.576 -1.463 5.805 1.00 0.00 H new ATOM 1210 N VAL A 78 30.311 0.789 5.871 1.00 0.00 N ATOM 1211 CA VAL A 78 31.628 0.663 5.300 1.00 0.00 C ATOM 1212 C VAL A 78 32.217 -0.712 5.677 1.00 0.00 C ATOM 1213 O VAL A 78 32.731 -0.918 6.778 1.00 0.00 O ATOM 1214 CB VAL A 78 32.585 1.853 5.708 1.00 0.00 C ATOM 1215 CG1 VAL A 78 32.713 2.014 7.225 1.00 0.00 C ATOM 1216 CG2 VAL A 78 33.955 1.678 5.077 1.00 0.00 C ATOM 0 H VAL A 78 30.298 1.025 6.863 1.00 0.00 H new ATOM 0 HA VAL A 78 31.540 0.725 4.215 1.00 0.00 H new ATOM 0 HB VAL A 78 32.129 2.767 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 78 33.382 2.845 7.447 1.00 0.00 H new ATOM 0 HG12 VAL A 78 31.731 2.213 7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 78 33.118 1.098 7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 78 34.599 2.507 5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 78 34.395 0.740 5.416 1.00 0.00 H new ATOM 0 HG23 VAL A 78 33.856 1.661 3.992 1.00 0.00 H new ATOM 1226 N GLY A 79 32.050 -1.674 4.805 1.00 0.00 N ATOM 1227 CA GLY A 79 32.553 -2.988 5.100 1.00 0.00 C ATOM 1228 C GLY A 79 32.350 -3.970 3.976 1.00 0.00 C ATOM 1229 O GLY A 79 31.648 -3.675 2.987 1.00 0.00 O ATOM 0 H GLY A 79 31.580 -1.575 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 79 33.617 -2.920 5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 79 32.060 -3.365 5.996 1.00 0.00 H new ATOM 1233 N ALA A 80 32.915 -5.143 4.147 1.00 0.00 N ATOM 1234 CA ALA A 80 32.777 -6.258 3.224 1.00 0.00 C ATOM 1235 C ALA A 80 31.448 -6.972 3.504 1.00 0.00 C ATOM 1236 O ALA A 80 30.776 -6.641 4.479 1.00 0.00 O ATOM 1237 CB ALA A 80 33.956 -7.200 3.391 1.00 0.00 C ATOM 0 H ALA A 80 33.501 -5.359 4.953 1.00 0.00 H new ATOM 0 HA ALA A 80 32.771 -5.904 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 80 33.854 -8.037 2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 80 34.882 -6.665 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 80 33.980 -7.576 4.414 1.00 0.00 H new ATOM 1243 N ILE A 81 31.031 -7.894 2.645 1.00 0.00 N ATOM 1244 CA ILE A 81 29.740 -8.563 2.826 1.00 0.00 C ATOM 1245 C ILE A 81 29.811 -9.544 3.982 1.00 0.00 C ATOM 1246 O ILE A 81 30.617 -10.492 3.961 1.00 0.00 O ATOM 1247 CB ILE A 81 29.222 -9.289 1.517 1.00 0.00 C ATOM 1248 CG1 ILE A 81 28.654 -8.306 0.479 1.00 0.00 C ATOM 1249 CG2 ILE A 81 28.165 -10.334 1.830 1.00 0.00 C ATOM 1250 CD1 ILE A 81 29.628 -7.338 -0.115 1.00 0.00 C ATOM 0 H ILE A 81 31.557 -8.196 1.825 1.00 0.00 H new ATOM 0 HA ILE A 81 29.015 -7.781 3.053 1.00 0.00 H new ATOM 0 HB ILE A 81 30.100 -9.776 1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.207 -8.883 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.850 -7.739 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 81 27.837 -10.808 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 81 28.585 -11.089 2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 81 27.314 -9.856 2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 81 29.114 -6.698 -0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 81 30.059 -6.724 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 81 30.422 -7.886 -0.623 1.00 0.00 H new ATOM 1262 N THR A 82 29.009 -9.304 4.989 1.00 0.00 N ATOM 1263 CA THR A 82 28.984 -10.174 6.117 1.00 0.00 C ATOM 1264 C THR A 82 27.591 -10.776 6.257 1.00 0.00 C ATOM 1265 O THR A 82 26.622 -10.226 5.703 1.00 0.00 O ATOM 1266 CB THR A 82 29.393 -9.421 7.419 1.00 0.00 C ATOM 1267 OG1 THR A 82 28.462 -8.346 7.715 1.00 0.00 O ATOM 1268 CG2 THR A 82 30.795 -8.842 7.273 1.00 0.00 C ATOM 0 H THR A 82 28.369 -8.512 5.042 1.00 0.00 H new ATOM 0 HA THR A 82 29.709 -10.973 5.962 1.00 0.00 H new ATOM 0 HB THR A 82 29.374 -10.139 8.239 1.00 0.00 H new ATOM 0 HG1 THR A 82 28.262 -7.851 6.893 1.00 0.00 H new ATOM 0 HG21 THR A 82 31.070 -8.318 8.189 1.00 0.00 H new ATOM 0 HG22 THR A 82 31.505 -9.649 7.090 1.00 0.00 H new ATOM 0 HG23 THR A 82 30.815 -8.144 6.436 1.00 0.00 H new ATOM 1276 N GLU A 83 27.494 -11.911 6.953 1.00 0.00 N ATOM 1277 CA GLU A 83 26.211 -12.578 7.235 1.00 0.00 C ATOM 1278 C GLU A 83 25.169 -11.606 7.818 1.00 0.00 C ATOM 1279 O GLU A 83 23.978 -11.719 7.528 1.00 0.00 O ATOM 1280 CB GLU A 83 26.423 -13.738 8.204 1.00 0.00 C ATOM 1281 CG GLU A 83 27.296 -14.853 7.666 1.00 0.00 C ATOM 1282 CD GLU A 83 27.524 -15.943 8.676 1.00 0.00 C ATOM 1283 OE1 GLU A 83 26.662 -16.814 8.840 1.00 0.00 O ATOM 1284 OE2 GLU A 83 28.570 -15.939 9.346 1.00 0.00 O ATOM 0 H GLU A 83 28.302 -12.398 7.340 1.00 0.00 H new ATOM 0 HA GLU A 83 25.827 -12.952 6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 83 26.871 -13.353 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 83 25.451 -14.152 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 83 26.831 -15.278 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 83 28.257 -14.441 7.357 1.00 0.00 H new ATOM 1291 N SER A 84 25.631 -10.644 8.608 1.00 0.00 N ATOM 1292 CA SER A 84 24.764 -9.653 9.235 1.00 0.00 C ATOM 1293 C SER A 84 24.049 -8.809 8.163 1.00 0.00 C ATOM 1294 O SER A 84 22.855 -8.537 8.261 1.00 0.00 O ATOM 1295 CB SER A 84 25.616 -8.754 10.119 1.00 0.00 C ATOM 1296 OG SER A 84 26.473 -9.537 10.957 1.00 0.00 O ATOM 0 H SER A 84 26.619 -10.529 8.832 1.00 0.00 H new ATOM 0 HA SER A 84 24.006 -10.158 9.834 1.00 0.00 H new ATOM 0 HB2 SER A 84 26.215 -8.087 9.499 1.00 0.00 H new ATOM 0 HB3 SER A 84 24.973 -8.125 10.734 1.00 0.00 H new ATOM 0 HG SER A 84 27.015 -8.943 11.517 1.00 0.00 H new ATOM 1302 N ASP A 85 24.784 -8.463 7.118 1.00 0.00 N ATOM 1303 CA ASP A 85 24.255 -7.653 6.026 1.00 0.00 C ATOM 1304 C ASP A 85 23.299 -8.476 5.216 1.00 0.00 C ATOM 1305 O ASP A 85 22.265 -7.995 4.763 1.00 0.00 O ATOM 1306 CB ASP A 85 25.372 -7.165 5.100 1.00 0.00 C ATOM 1307 CG ASP A 85 26.394 -6.315 5.777 1.00 0.00 C ATOM 1308 OD1 ASP A 85 26.056 -5.185 6.240 1.00 0.00 O ATOM 1309 OD2 ASP A 85 27.575 -6.745 5.827 1.00 0.00 O ATOM 0 H ASP A 85 25.761 -8.733 7.001 1.00 0.00 H new ATOM 0 HA ASP A 85 23.755 -6.789 6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 85 25.868 -8.030 4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 85 24.929 -6.599 4.280 1.00 0.00 H new ATOM 1314 N ILE A 86 23.651 -9.725 5.033 1.00 0.00 N ATOM 1315 CA ILE A 86 22.841 -10.656 4.279 1.00 0.00 C ATOM 1316 C ILE A 86 21.518 -10.967 4.985 1.00 0.00 C ATOM 1317 O ILE A 86 20.495 -11.217 4.335 1.00 0.00 O ATOM 1318 CB ILE A 86 23.633 -11.912 4.008 1.00 0.00 C ATOM 1319 CG1 ILE A 86 24.856 -11.532 3.192 1.00 0.00 C ATOM 1320 CG2 ILE A 86 22.799 -12.943 3.283 1.00 0.00 C ATOM 1321 CD1 ILE A 86 25.711 -12.680 2.831 1.00 0.00 C ATOM 0 H ILE A 86 24.511 -10.128 5.404 1.00 0.00 H new ATOM 0 HA ILE A 86 22.579 -10.192 3.328 1.00 0.00 H new ATOM 0 HB ILE A 86 23.939 -12.363 4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 86 24.531 -11.031 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 86 25.449 -10.813 3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 86 23.399 -13.835 3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 86 21.933 -13.204 3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 86 22.462 -12.534 2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 86 26.564 -12.330 2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 86 26.067 -13.168 3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 86 25.135 -13.391 2.238 1.00 0.00 H new ATOM 1333 N SER A 87 21.533 -10.905 6.295 1.00 0.00 N ATOM 1334 CA SER A 87 20.321 -11.071 7.069 1.00 0.00 C ATOM 1335 C SER A 87 19.273 -10.015 6.652 1.00 0.00 C ATOM 1336 O SER A 87 18.078 -10.312 6.569 1.00 0.00 O ATOM 1337 CB SER A 87 20.640 -10.980 8.558 1.00 0.00 C ATOM 1338 OG SER A 87 21.647 -11.941 8.908 1.00 0.00 O ATOM 0 H SER A 87 22.372 -10.740 6.851 1.00 0.00 H new ATOM 0 HA SER A 87 19.898 -12.056 6.872 1.00 0.00 H new ATOM 0 HB2 SER A 87 20.985 -9.975 8.803 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.737 -11.159 9.142 1.00 0.00 H new ATOM 0 HG SER A 87 22.496 -11.694 8.485 1.00 0.00 H new ATOM 1344 N LEU A 88 19.757 -8.812 6.316 1.00 0.00 N ATOM 1345 CA LEU A 88 18.919 -7.723 5.842 1.00 0.00 C ATOM 1346 C LEU A 88 18.437 -8.010 4.419 1.00 0.00 C ATOM 1347 O LEU A 88 17.303 -7.661 4.046 1.00 0.00 O ATOM 1348 CB LEU A 88 19.719 -6.379 5.927 1.00 0.00 C ATOM 1349 CG LEU A 88 19.087 -5.075 5.343 1.00 0.00 C ATOM 1350 CD1 LEU A 88 19.233 -4.986 3.823 1.00 0.00 C ATOM 1351 CD2 LEU A 88 17.629 -4.988 5.721 1.00 0.00 C ATOM 0 H LEU A 88 20.747 -8.574 6.369 1.00 0.00 H new ATOM 0 HA LEU A 88 18.034 -7.633 6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.938 -6.194 6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 88 20.674 -6.534 5.425 1.00 0.00 H new ATOM 0 HG LEU A 88 19.632 -4.235 5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.778 -4.062 3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 88 20.290 -4.995 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.735 -5.838 3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 88 17.200 -4.075 5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 88 17.097 -5.852 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.535 -4.974 6.807 1.00 0.00 H new ATOM 1363 N ALA A 89 19.284 -8.653 3.656 1.00 0.00 N ATOM 1364 CA ALA A 89 19.021 -8.950 2.260 1.00 0.00 C ATOM 1365 C ALA A 89 17.708 -9.708 2.073 1.00 0.00 C ATOM 1366 O ALA A 89 16.797 -9.191 1.470 1.00 0.00 O ATOM 1367 CB ALA A 89 20.188 -9.689 1.651 1.00 0.00 C ATOM 0 H ALA A 89 20.188 -8.992 3.985 1.00 0.00 H new ATOM 0 HA ALA A 89 18.906 -8.004 1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 89 19.976 -9.905 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 89 21.085 -9.073 1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 89 20.347 -10.624 2.189 1.00 0.00 H new ATOM 1373 N THR A 90 17.582 -10.894 2.627 1.00 0.00 N ATOM 1374 CA THR A 90 16.315 -11.631 2.509 1.00 0.00 C ATOM 1375 C THR A 90 15.182 -10.941 3.345 1.00 0.00 C ATOM 1376 O THR A 90 13.997 -11.089 3.051 1.00 0.00 O ATOM 1377 CB THR A 90 16.482 -13.133 2.921 1.00 0.00 C ATOM 1378 OG1 THR A 90 15.237 -13.859 2.801 1.00 0.00 O ATOM 1379 CG2 THR A 90 17.041 -13.273 4.319 1.00 0.00 C ATOM 0 H THR A 90 18.314 -11.371 3.154 1.00 0.00 H new ATOM 0 HA THR A 90 16.021 -11.610 1.460 1.00 0.00 H new ATOM 0 HB THR A 90 17.199 -13.570 2.227 1.00 0.00 H new ATOM 0 HG1 THR A 90 15.376 -14.793 3.064 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.142 -14.330 4.567 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.019 -12.794 4.370 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.366 -12.796 5.030 1.00 0.00 H new ATOM 1387 N ALA A 91 15.575 -10.124 4.343 1.00 0.00 N ATOM 1388 CA ALA A 91 14.621 -9.438 5.228 1.00 0.00 C ATOM 1389 C ALA A 91 13.806 -8.373 4.505 1.00 0.00 C ATOM 1390 O ALA A 91 12.586 -8.361 4.588 1.00 0.00 O ATOM 1391 CB ALA A 91 15.326 -8.834 6.418 1.00 0.00 C ATOM 0 H ALA A 91 16.553 -9.925 4.554 1.00 0.00 H new ATOM 0 HA ALA A 91 13.922 -10.200 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.598 -8.333 7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.824 -9.621 6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.066 -8.111 6.074 1.00 0.00 H new ATOM 1397 N SER A 92 14.478 -7.466 3.818 1.00 0.00 N ATOM 1398 CA SER A 92 13.778 -6.435 3.064 1.00 0.00 C ATOM 1399 C SER A 92 13.689 -6.811 1.593 1.00 0.00 C ATOM 1400 O SER A 92 13.082 -6.097 0.799 1.00 0.00 O ATOM 1401 CB SER A 92 14.474 -5.078 3.226 1.00 0.00 C ATOM 1402 OG SER A 92 14.501 -4.682 4.587 1.00 0.00 O ATOM 0 H SER A 92 15.496 -7.420 3.765 1.00 0.00 H new ATOM 0 HA SER A 92 12.766 -6.354 3.461 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.492 -5.139 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.953 -4.325 2.634 1.00 0.00 H new ATOM 0 HG SER A 92 14.951 -3.815 4.667 1.00 0.00 H new ATOM 1408 N ASN A 93 14.298 -7.947 1.249 1.00 0.00 N ATOM 1409 CA ASN A 93 14.379 -8.445 -0.144 1.00 0.00 C ATOM 1410 C ASN A 93 15.283 -7.533 -0.953 1.00 0.00 C ATOM 1411 O ASN A 93 15.068 -7.274 -2.145 1.00 0.00 O ATOM 1412 CB ASN A 93 12.988 -8.633 -0.811 1.00 0.00 C ATOM 1413 CG ASN A 93 12.172 -9.793 -0.232 1.00 0.00 C ATOM 1414 OD1 ASN A 93 10.940 -9.733 -0.170 1.00 0.00 O ATOM 1415 ND2 ASN A 93 12.826 -10.870 0.144 1.00 0.00 N ATOM 0 H ASN A 93 14.755 -8.558 1.926 1.00 0.00 H new ATOM 0 HA ASN A 93 14.813 -9.445 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.417 -7.711 -0.703 1.00 0.00 H new ATOM 0 HB3 ASN A 93 13.128 -8.798 -1.879 1.00 0.00 H new ATOM 0 HD21 ASN A 93 12.315 -11.680 0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 93 13.844 -10.896 0.083 1.00 0.00 H new ATOM 1422 N ALA A 94 16.319 -7.080 -0.286 1.00 0.00 N ATOM 1423 CA ALA A 94 17.328 -6.235 -0.858 1.00 0.00 C ATOM 1424 C ALA A 94 18.478 -7.109 -1.322 1.00 0.00 C ATOM 1425 O ALA A 94 18.653 -8.218 -0.827 1.00 0.00 O ATOM 1426 CB ALA A 94 17.820 -5.247 0.194 1.00 0.00 C ATOM 0 H ALA A 94 16.483 -7.298 0.697 1.00 0.00 H new ATOM 0 HA ALA A 94 16.921 -5.678 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.586 -4.605 -0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 94 16.986 -4.635 0.537 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.240 -5.794 1.038 1.00 0.00 H new ATOM 1432 N ILE A 95 19.234 -6.637 -2.257 1.00 0.00 N ATOM 1433 CA ILE A 95 20.380 -7.375 -2.740 1.00 0.00 C ATOM 1434 C ILE A 95 21.627 -6.632 -2.319 1.00 0.00 C ATOM 1435 O ILE A 95 21.697 -5.408 -2.466 1.00 0.00 O ATOM 1436 CB ILE A 95 20.337 -7.552 -4.291 1.00 0.00 C ATOM 1437 CG1 ILE A 95 19.095 -8.367 -4.723 1.00 0.00 C ATOM 1438 CG2 ILE A 95 21.616 -8.196 -4.821 1.00 0.00 C ATOM 1439 CD1 ILE A 95 19.022 -9.776 -4.146 1.00 0.00 C ATOM 0 H ILE A 95 19.086 -5.736 -2.713 1.00 0.00 H new ATOM 0 HA ILE A 95 20.374 -8.377 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 95 20.263 -6.556 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 95 18.199 -7.821 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 95 19.082 -8.434 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 95 21.548 -8.302 -5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 95 22.471 -7.567 -4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 95 21.744 -9.179 -4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 95 18.119 -10.269 -4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 95 19.896 -10.345 -4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 95 18.999 -9.723 -3.058 1.00 0.00 H new ATOM 1451 N VAL A 96 22.607 -7.354 -1.813 1.00 0.00 N ATOM 1452 CA VAL A 96 23.790 -6.729 -1.271 1.00 0.00 C ATOM 1453 C VAL A 96 24.858 -6.646 -2.334 1.00 0.00 C ATOM 1454 O VAL A 96 25.233 -7.658 -2.951 1.00 0.00 O ATOM 1455 CB VAL A 96 24.354 -7.499 -0.040 1.00 0.00 C ATOM 1456 CG1 VAL A 96 25.457 -6.713 0.645 1.00 0.00 C ATOM 1457 CG2 VAL A 96 23.260 -7.867 0.948 1.00 0.00 C ATOM 0 H VAL A 96 22.605 -8.373 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 96 23.504 -5.731 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 96 24.783 -8.428 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 96 25.829 -7.278 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.272 -6.541 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 96 25.063 -5.756 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.696 -8.403 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.774 -6.960 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.524 -8.503 0.456 1.00 0.00 H new ATOM 1467 N ILE A 97 25.309 -5.452 -2.568 1.00 0.00 N ATOM 1468 CA ILE A 97 26.335 -5.199 -3.529 1.00 0.00 C ATOM 1469 C ILE A 97 27.650 -4.928 -2.814 1.00 0.00 C ATOM 1470 O ILE A 97 27.674 -4.597 -1.616 1.00 0.00 O ATOM 1471 CB ILE A 97 25.985 -3.985 -4.445 1.00 0.00 C ATOM 1472 CG1 ILE A 97 25.767 -2.704 -3.603 1.00 0.00 C ATOM 1473 CG2 ILE A 97 24.755 -4.295 -5.301 1.00 0.00 C ATOM 1474 CD1 ILE A 97 25.492 -1.454 -4.420 1.00 0.00 C ATOM 0 H ILE A 97 24.970 -4.617 -2.091 1.00 0.00 H new ATOM 0 HA ILE A 97 26.424 -6.083 -4.160 1.00 0.00 H new ATOM 0 HB ILE A 97 26.827 -3.806 -5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 97 24.932 -2.869 -2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 97 26.651 -2.534 -2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 97 24.526 -3.437 -5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 97 24.957 -5.164 -5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 97 23.904 -4.505 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 97 25.352 -0.605 -3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 97 26.336 -1.259 -5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 97 24.591 -1.599 -5.015 1.00 0.00 H new ATOM 1486 N GLY A 98 28.713 -5.128 -3.516 1.00 0.00 N ATOM 1487 CA GLY A 98 30.012 -4.835 -3.025 1.00 0.00 C ATOM 1488 C GLY A 98 31.011 -4.979 -4.127 1.00 0.00 C ATOM 1489 O GLY A 98 30.669 -5.432 -5.224 1.00 0.00 O ATOM 0 H GLY A 98 28.701 -5.506 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 98 30.040 -3.821 -2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 98 30.262 -5.508 -2.205 1.00 0.00 H new ATOM 1493 N PHE A 99 32.225 -4.609 -3.873 1.00 0.00 N ATOM 1494 CA PHE A 99 33.278 -4.722 -4.851 1.00 0.00 C ATOM 1495 C PHE A 99 34.592 -4.654 -4.154 1.00 0.00 C ATOM 1496 O PHE A 99 34.757 -3.849 -3.238 1.00 0.00 O ATOM 1497 CB PHE A 99 33.170 -3.642 -5.972 1.00 0.00 C ATOM 1498 CG PHE A 99 33.142 -2.206 -5.500 1.00 0.00 C ATOM 1499 CD1 PHE A 99 31.939 -1.592 -5.185 1.00 0.00 C ATOM 1500 CD2 PHE A 99 34.312 -1.470 -5.389 1.00 0.00 C ATOM 1501 CE1 PHE A 99 31.903 -0.281 -4.763 1.00 0.00 C ATOM 1502 CE2 PHE A 99 34.281 -0.161 -4.967 1.00 0.00 C ATOM 1503 CZ PHE A 99 33.074 0.437 -4.655 1.00 0.00 C ATOM 0 H PHE A 99 32.523 -4.217 -2.980 1.00 0.00 H new ATOM 0 HA PHE A 99 33.180 -5.683 -5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 99 34.013 -3.765 -6.652 1.00 0.00 H new ATOM 0 HB3 PHE A 99 32.265 -3.833 -6.549 1.00 0.00 H new ATOM 0 HD1 PHE A 99 31.018 -2.149 -5.272 1.00 0.00 H new ATOM 0 HD2 PHE A 99 35.258 -1.929 -5.636 1.00 0.00 H new ATOM 0 HE1 PHE A 99 30.959 0.183 -4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 99 35.200 0.400 -4.879 1.00 0.00 H new ATOM 0 HZ PHE A 99 33.049 1.466 -4.327 1.00 0.00 H new ATOM 1513 N ASN A 100 35.480 -5.569 -4.508 1.00 0.00 N ATOM 1514 CA ASN A 100 36.858 -5.668 -3.984 1.00 0.00 C ATOM 1515 C ASN A 100 36.885 -6.192 -2.545 1.00 0.00 C ATOM 1516 O ASN A 100 37.711 -7.037 -2.197 1.00 0.00 O ATOM 1517 CB ASN A 100 37.659 -4.344 -4.156 1.00 0.00 C ATOM 1518 CG ASN A 100 37.809 -3.923 -5.629 1.00 0.00 C ATOM 1519 OD1 ASN A 100 36.943 -4.194 -6.464 1.00 0.00 O ATOM 1520 ND2 ASN A 100 38.882 -3.254 -5.955 1.00 0.00 N ATOM 0 H ASN A 100 35.266 -6.295 -5.192 1.00 0.00 H new ATOM 0 HA ASN A 100 37.374 -6.409 -4.595 1.00 0.00 H new ATOM 0 HB2 ASN A 100 37.158 -3.548 -3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 100 38.648 -4.464 -3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 100 39.017 -2.944 -6.917 1.00 0.00 H new ATOM 0 HD22 ASN A 100 39.585 -3.041 -5.247 1.00 0.00 H new ATOM 1527 N VAL A 101 35.955 -5.716 -1.746 1.00 0.00 N ATOM 1528 CA VAL A 101 35.757 -6.144 -0.377 1.00 0.00 C ATOM 1529 C VAL A 101 35.310 -7.605 -0.302 1.00 0.00 C ATOM 1530 O VAL A 101 35.899 -8.393 0.430 1.00 0.00 O ATOM 1531 CB VAL A 101 34.765 -5.221 0.392 1.00 0.00 C ATOM 1532 CG1 VAL A 101 35.427 -3.906 0.744 1.00 0.00 C ATOM 1533 CG2 VAL A 101 33.483 -4.953 -0.405 1.00 0.00 C ATOM 0 H VAL A 101 35.294 -4.997 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 101 36.726 -6.062 0.116 1.00 0.00 H new ATOM 0 HB VAL A 101 34.487 -5.748 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 101 34.719 -3.274 1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 101 36.296 -4.094 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 101 35.743 -3.402 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 101 32.824 -4.305 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 101 33.735 -4.466 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 101 32.977 -5.897 -0.608 1.00 0.00 H new ATOM 1543 N ARG A 102 34.259 -7.951 -1.073 1.00 0.00 N ATOM 1544 CA ARG A 102 33.771 -9.333 -1.203 1.00 0.00 C ATOM 1545 C ARG A 102 33.165 -9.871 0.137 1.00 0.00 C ATOM 1546 O ARG A 102 33.056 -9.109 1.099 1.00 0.00 O ATOM 1547 CB ARG A 102 34.906 -10.180 -1.789 1.00 0.00 C ATOM 1548 CG ARG A 102 35.296 -9.695 -3.176 1.00 0.00 C ATOM 1549 CD ARG A 102 36.644 -10.205 -3.590 1.00 0.00 C ATOM 1550 NE ARG A 102 37.682 -9.762 -2.645 1.00 0.00 N ATOM 1551 CZ ARG A 102 38.612 -10.539 -2.092 1.00 0.00 C ATOM 1552 NH1 ARG A 102 38.706 -11.817 -2.436 1.00 0.00 N ATOM 1553 NH2 ARG A 102 39.461 -10.022 -1.210 1.00 0.00 N ATOM 0 H ARG A 102 33.726 -7.277 -1.622 1.00 0.00 H new ATOM 0 HA ARG A 102 32.929 -9.386 -1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 102 35.773 -10.137 -1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 102 34.595 -11.224 -1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 102 34.547 -10.021 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 102 35.300 -8.605 -3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 102 36.628 -11.294 -3.636 1.00 0.00 H new ATOM 0 HD3 ARG A 102 36.881 -9.848 -4.592 1.00 0.00 H new ATOM 0 HE ARG A 102 37.690 -8.774 -2.392 1.00 0.00 H new ATOM 0 HH11 ARG A 102 38.065 -12.208 -3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 102 39.420 -12.409 -2.010 1.00 0.00 H new ATOM 0 HH21 ARG A 102 39.398 -9.035 -0.960 1.00 0.00 H new ATOM 0 HH22 ARG A 102 40.175 -10.612 -0.783 1.00 0.00 H new ATOM 1566 N PRO A 103 32.647 -11.122 0.196 1.00 0.00 N ATOM 1567 CA PRO A 103 32.077 -11.672 1.418 1.00 0.00 C ATOM 1568 C PRO A 103 33.013 -12.586 2.171 1.00 0.00 C ATOM 1569 O PRO A 103 34.121 -12.892 1.723 1.00 0.00 O ATOM 1570 CB PRO A 103 30.937 -12.548 0.897 1.00 0.00 C ATOM 1571 CG PRO A 103 31.243 -12.816 -0.556 1.00 0.00 C ATOM 1572 CD PRO A 103 32.508 -12.085 -0.903 1.00 0.00 C ATOM 0 HA PRO A 103 31.810 -10.867 2.103 1.00 0.00 H new ATOM 0 HB2 PRO A 103 30.873 -13.479 1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 103 29.977 -12.043 1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 103 31.360 -13.886 -0.730 1.00 0.00 H new ATOM 0 HG3 PRO A 103 30.421 -12.478 -1.188 1.00 0.00 H new ATOM 0 HD2 PRO A 103 33.362 -12.760 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 103 32.433 -11.586 -1.869 1.00 0.00 H new ATOM 1580 N ASP A 104 32.545 -13.026 3.309 1.00 0.00 N ATOM 1581 CA ASP A 104 33.193 -14.088 4.037 1.00 0.00 C ATOM 1582 C ASP A 104 32.721 -15.371 3.404 1.00 0.00 C ATOM 1583 O ASP A 104 31.640 -15.388 2.784 1.00 0.00 O ATOM 1584 CB ASP A 104 32.788 -14.104 5.529 1.00 0.00 C ATOM 1585 CG ASP A 104 33.209 -12.881 6.301 1.00 0.00 C ATOM 1586 OD1 ASP A 104 34.415 -12.629 6.424 1.00 0.00 O ATOM 1587 OD2 ASP A 104 32.346 -12.166 6.832 1.00 0.00 O ATOM 0 H ASP A 104 31.705 -12.660 3.758 1.00 0.00 H new ATOM 0 HA ASP A 104 34.274 -13.956 3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 104 31.705 -14.207 5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 104 33.223 -14.985 6.002 1.00 0.00 H new ATOM 1592 N ALA A 105 33.475 -16.431 3.548 1.00 0.00 N ATOM 1593 CA ALA A 105 33.090 -17.722 3.004 1.00 0.00 C ATOM 1594 C ALA A 105 31.784 -18.202 3.638 1.00 0.00 C ATOM 1595 O ALA A 105 30.990 -18.867 3.002 1.00 0.00 O ATOM 1596 CB ALA A 105 34.197 -18.750 3.174 1.00 0.00 C ATOM 0 H ALA A 105 34.368 -16.431 4.041 1.00 0.00 H new ATOM 0 HA ALA A 105 32.925 -17.601 1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 105 33.875 -19.704 2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 105 35.092 -18.410 2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 105 34.418 -18.875 4.234 1.00 0.00 H new ATOM 1602 N ASN A 106 31.557 -17.833 4.876 1.00 0.00 N ATOM 1603 CA ASN A 106 30.294 -18.165 5.520 1.00 0.00 C ATOM 1604 C ASN A 106 29.183 -17.241 5.061 1.00 0.00 C ATOM 1605 O ASN A 106 28.059 -17.673 4.902 1.00 0.00 O ATOM 1606 CB ASN A 106 30.386 -18.183 7.041 1.00 0.00 C ATOM 1607 CG ASN A 106 31.159 -19.369 7.601 1.00 0.00 C ATOM 1608 OD1 ASN A 106 32.046 -19.918 6.957 1.00 0.00 O ATOM 1609 ND2 ASN A 106 30.839 -19.764 8.805 1.00 0.00 N ATOM 0 H ASN A 106 32.214 -17.311 5.456 1.00 0.00 H new ATOM 0 HA ASN A 106 30.054 -19.182 5.208 1.00 0.00 H new ATOM 0 HB2 ASN A 106 30.861 -17.261 7.377 1.00 0.00 H new ATOM 0 HB3 ASN A 106 29.378 -18.191 7.456 1.00 0.00 H new ATOM 0 HD21 ASN A 106 31.332 -20.548 9.232 1.00 0.00 H new ATOM 0 HD22 ASN A 106 30.096 -19.288 9.317 1.00 0.00 H new ATOM 1616 N ALA A 107 29.488 -15.963 4.830 1.00 0.00 N ATOM 1617 CA ALA A 107 28.487 -15.044 4.307 1.00 0.00 C ATOM 1618 C ALA A 107 28.000 -15.482 2.924 1.00 0.00 C ATOM 1619 O ALA A 107 26.816 -15.492 2.670 1.00 0.00 O ATOM 1620 CB ALA A 107 28.988 -13.600 4.294 1.00 0.00 C ATOM 0 H ALA A 107 30.406 -15.550 4.995 1.00 0.00 H new ATOM 0 HA ALA A 107 27.634 -15.077 4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 107 28.210 -12.948 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 107 29.236 -13.292 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 107 29.876 -13.529 3.666 1.00 0.00 H new ATOM 1626 N LYS A 108 28.916 -15.879 2.050 1.00 0.00 N ATOM 1627 CA LYS A 108 28.538 -16.355 0.711 1.00 0.00 C ATOM 1628 C LYS A 108 27.599 -17.602 0.781 1.00 0.00 C ATOM 1629 O LYS A 108 26.755 -17.801 -0.087 1.00 0.00 O ATOM 1630 CB LYS A 108 29.788 -16.621 -0.155 1.00 0.00 C ATOM 1631 CG LYS A 108 30.568 -17.879 0.178 1.00 0.00 C ATOM 1632 CD LYS A 108 31.842 -18.000 -0.661 1.00 0.00 C ATOM 1633 CE LYS A 108 31.547 -18.194 -2.148 1.00 0.00 C ATOM 1634 NZ LYS A 108 30.810 -19.448 -2.409 1.00 0.00 N ATOM 0 H LYS A 108 29.919 -15.884 2.235 1.00 0.00 H new ATOM 0 HA LYS A 108 27.967 -15.562 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 108 29.479 -16.674 -1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 108 30.458 -15.766 -0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 108 30.829 -17.875 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 108 29.938 -18.752 0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 108 32.447 -17.103 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 108 32.434 -18.841 -0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 108 30.965 -17.349 -2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 108 32.484 -18.202 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 30.793 -19.634 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 31.282 -20.236 -1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 29.835 -19.357 -2.058 1.00 0.00 H new ATOM 1647 N ARG A 109 27.742 -18.402 1.844 1.00 0.00 N ATOM 1648 CA ARG A 109 26.942 -19.513 2.114 1.00 0.00 C ATOM 1649 C ARG A 109 25.579 -19.039 2.574 1.00 0.00 C ATOM 1650 O ARG A 109 24.531 -19.471 2.054 1.00 0.00 O ATOM 1651 CB ARG A 109 27.572 -20.200 3.278 1.00 0.00 C ATOM 1652 CG ARG A 109 28.816 -21.002 3.066 1.00 0.00 C ATOM 1653 CD ARG A 109 29.141 -21.738 4.353 1.00 0.00 C ATOM 1654 NE ARG A 109 30.409 -22.468 4.310 1.00 0.00 N ATOM 1655 CZ ARG A 109 31.020 -22.953 5.404 1.00 0.00 C ATOM 1656 NH1 ARG A 109 30.475 -22.766 6.611 1.00 0.00 N ATOM 1657 NH2 ARG A 109 32.165 -23.625 5.293 1.00 0.00 N ATOM 0 H ARG A 109 28.464 -18.251 2.548 1.00 0.00 H new ATOM 0 HA ARG A 109 26.848 -20.152 1.236 1.00 0.00 H new ATOM 0 HB2 ARG A 109 27.796 -19.439 4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 109 26.824 -20.864 3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 109 28.675 -21.711 2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 109 29.643 -20.351 2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 109 29.173 -21.021 5.173 1.00 0.00 H new ATOM 0 HD3 ARG A 109 28.336 -22.439 4.573 1.00 0.00 H new ATOM 0 HE ARG A 109 30.851 -22.616 3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 109 29.596 -22.256 6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 109 30.938 -23.134 7.442 1.00 0.00 H new ATOM 0 HH21 ARG A 109 32.582 -23.774 4.374 1.00 0.00 H new ATOM 0 HH22 ARG A 109 32.624 -23.991 6.127 1.00 0.00 H new ATOM 1670 N ALA A 110 25.628 -18.142 3.570 1.00 0.00 N ATOM 1671 CA ALA A 110 24.475 -17.545 4.211 1.00 0.00 C ATOM 1672 C ALA A 110 23.574 -16.954 3.196 1.00 0.00 C ATOM 1673 O ALA A 110 22.422 -17.267 3.186 1.00 0.00 O ATOM 1674 CB ALA A 110 24.903 -16.477 5.205 1.00 0.00 C ATOM 0 H ALA A 110 26.511 -17.808 3.957 1.00 0.00 H new ATOM 0 HA ALA A 110 23.942 -18.328 4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 110 24.021 -16.042 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 110 25.537 -16.925 5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 110 25.458 -15.697 4.684 1.00 0.00 H new ATOM 1680 N ALA A 111 24.156 -16.162 2.289 1.00 0.00 N ATOM 1681 CA ALA A 111 23.434 -15.483 1.212 1.00 0.00 C ATOM 1682 C ALA A 111 22.526 -16.417 0.503 1.00 0.00 C ATOM 1683 O ALA A 111 21.330 -16.190 0.385 1.00 0.00 O ATOM 1684 CB ALA A 111 24.414 -14.889 0.197 1.00 0.00 C ATOM 0 H ALA A 111 25.158 -15.973 2.284 1.00 0.00 H new ATOM 0 HA ALA A 111 22.846 -14.687 1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 111 23.858 -14.389 -0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 111 25.062 -14.169 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 111 25.020 -15.686 -0.233 1.00 0.00 H new ATOM 1690 N GLU A 112 23.066 -17.500 0.118 1.00 0.00 N ATOM 1691 CA GLU A 112 22.365 -18.414 -0.703 1.00 0.00 C ATOM 1692 C GLU A 112 21.424 -19.304 0.077 1.00 0.00 C ATOM 1693 O GLU A 112 20.406 -19.769 -0.433 1.00 0.00 O ATOM 1694 CB GLU A 112 23.335 -19.175 -1.539 1.00 0.00 C ATOM 1695 CG GLU A 112 24.061 -18.297 -2.552 1.00 0.00 C ATOM 1696 CD GLU A 112 24.863 -19.084 -3.539 1.00 0.00 C ATOM 1697 OE1 GLU A 112 24.261 -19.636 -4.485 1.00 0.00 O ATOM 1698 OE2 GLU A 112 26.098 -19.188 -3.402 1.00 0.00 O ATOM 0 H GLU A 112 24.014 -17.787 0.361 1.00 0.00 H new ATOM 0 HA GLU A 112 21.712 -17.850 -1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 112 24.068 -19.655 -0.890 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.807 -19.970 -2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 112 23.331 -17.690 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 112 24.720 -17.610 -2.022 1.00 0.00 H new ATOM 1705 N SER A 113 21.719 -19.480 1.305 1.00 0.00 N ATOM 1706 CA SER A 113 20.869 -20.215 2.186 1.00 0.00 C ATOM 1707 C SER A 113 19.844 -19.239 2.779 1.00 0.00 C ATOM 1708 O SER A 113 19.064 -19.583 3.670 1.00 0.00 O ATOM 1709 CB SER A 113 21.734 -20.888 3.253 1.00 0.00 C ATOM 1710 OG SER A 113 20.981 -21.683 4.158 1.00 0.00 O ATOM 0 H SER A 113 22.566 -19.118 1.743 1.00 0.00 H new ATOM 0 HA SER A 113 20.322 -21.003 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 113 22.482 -21.513 2.765 1.00 0.00 H new ATOM 0 HB3 SER A 113 22.273 -20.123 3.812 1.00 0.00 H new ATOM 0 HG SER A 113 20.111 -21.261 4.319 1.00 0.00 H new ATOM 1716 N GLU A 114 19.898 -18.022 2.278 1.00 0.00 N ATOM 1717 CA GLU A 114 19.013 -16.965 2.630 1.00 0.00 C ATOM 1718 C GLU A 114 18.329 -16.420 1.453 1.00 0.00 C ATOM 1719 O GLU A 114 17.842 -15.300 1.490 1.00 0.00 O ATOM 1720 CB GLU A 114 19.728 -15.857 3.298 1.00 0.00 C ATOM 1721 CG GLU A 114 19.904 -16.115 4.756 1.00 0.00 C ATOM 1722 CD GLU A 114 20.378 -14.953 5.593 1.00 0.00 C ATOM 1723 OE1 GLU A 114 21.581 -14.698 5.647 1.00 0.00 O ATOM 1724 OE2 GLU A 114 19.527 -14.336 6.298 1.00 0.00 O ATOM 0 H GLU A 114 20.595 -17.745 1.586 1.00 0.00 H new ATOM 0 HA GLU A 114 18.282 -17.397 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.704 -15.720 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.174 -14.929 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.952 -16.459 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.615 -16.933 4.874 1.00 0.00 H new ATOM 1731 N LYS A 115 18.313 -17.198 0.392 1.00 0.00 N ATOM 1732 CA LYS A 115 17.590 -16.888 -0.795 1.00 0.00 C ATOM 1733 C LYS A 115 18.123 -15.669 -1.564 1.00 0.00 C ATOM 1734 O LYS A 115 17.546 -15.270 -2.585 1.00 0.00 O ATOM 1735 CB LYS A 115 16.167 -16.672 -0.397 1.00 0.00 C ATOM 1736 CG LYS A 115 15.449 -17.899 0.111 1.00 0.00 C ATOM 1737 CD LYS A 115 14.004 -17.576 0.435 1.00 0.00 C ATOM 1738 CE LYS A 115 13.344 -18.677 1.237 1.00 0.00 C ATOM 1739 NZ LYS A 115 13.411 -20.004 0.590 1.00 0.00 N ATOM 0 H LYS A 115 18.819 -18.082 0.343 1.00 0.00 H new ATOM 0 HA LYS A 115 17.704 -17.721 -1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.135 -15.905 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.622 -16.281 -1.256 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.491 -18.688 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.951 -18.278 1.001 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.958 -16.642 0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.451 -17.420 -0.491 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.819 -18.736 2.216 1.00 0.00 H new ATOM 0 HE3 LYS A 115 12.299 -18.416 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.827 -20.680 1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.056 -19.933 -0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.397 -20.334 0.577 1.00 0.00 H new ATOM 1752 N VAL A 116 19.208 -15.104 -1.129 1.00 0.00 N ATOM 1753 CA VAL A 116 19.699 -13.914 -1.748 1.00 0.00 C ATOM 1754 C VAL A 116 21.008 -14.135 -2.431 1.00 0.00 C ATOM 1755 O VAL A 116 21.664 -15.159 -2.239 1.00 0.00 O ATOM 1756 CB VAL A 116 19.767 -12.713 -0.766 1.00 0.00 C ATOM 1757 CG1 VAL A 116 18.374 -12.182 -0.510 1.00 0.00 C ATOM 1758 CG2 VAL A 116 20.390 -13.135 0.549 1.00 0.00 C ATOM 0 H VAL A 116 19.768 -15.448 -0.349 1.00 0.00 H new ATOM 0 HA VAL A 116 18.971 -13.652 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 116 20.382 -11.934 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.427 -11.339 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 116 17.931 -11.854 -1.450 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.759 -12.969 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 116 20.429 -12.280 1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.789 -13.926 0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 116 21.400 -13.503 0.371 1.00 0.00 H new ATOM 1768 N ASP A 117 21.357 -13.226 -3.269 1.00 0.00 N ATOM 1769 CA ASP A 117 22.605 -13.282 -3.955 1.00 0.00 C ATOM 1770 C ASP A 117 23.326 -12.003 -3.724 1.00 0.00 C ATOM 1771 O ASP A 117 22.706 -10.947 -3.624 1.00 0.00 O ATOM 1772 CB ASP A 117 22.443 -13.528 -5.468 1.00 0.00 C ATOM 1773 CG ASP A 117 22.093 -14.958 -5.833 1.00 0.00 C ATOM 1774 OD1 ASP A 117 20.878 -15.325 -5.830 1.00 0.00 O ATOM 1775 OD2 ASP A 117 23.019 -15.740 -6.159 1.00 0.00 O ATOM 0 H ASP A 117 20.783 -12.415 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 117 23.171 -14.127 -3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 117 21.666 -12.867 -5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 117 23.371 -13.254 -5.970 1.00 0.00 H new ATOM 1780 N ILE A 118 24.600 -12.088 -3.585 1.00 0.00 N ATOM 1781 CA ILE A 118 25.412 -10.933 -3.388 1.00 0.00 C ATOM 1782 C ILE A 118 26.164 -10.607 -4.663 1.00 0.00 C ATOM 1783 O ILE A 118 26.621 -11.516 -5.383 1.00 0.00 O ATOM 1784 CB ILE A 118 26.344 -11.112 -2.174 1.00 0.00 C ATOM 1785 CG1 ILE A 118 27.071 -12.466 -2.253 1.00 0.00 C ATOM 1786 CG2 ILE A 118 25.533 -11.001 -0.888 1.00 0.00 C ATOM 1787 CD1 ILE A 118 27.853 -12.825 -1.023 1.00 0.00 C ATOM 0 H ILE A 118 25.117 -12.967 -3.604 1.00 0.00 H new ATOM 0 HA ILE A 118 24.774 -10.079 -3.158 1.00 0.00 H new ATOM 0 HB ILE A 118 27.100 -10.326 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 118 26.336 -13.248 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 118 27.748 -12.451 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.193 -11.128 -0.030 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.059 -10.020 -0.840 1.00 0.00 H new ATOM 0 HG23 ILE A 118 24.766 -11.775 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 118 28.332 -13.794 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 118 28.615 -12.067 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 118 27.181 -12.876 -0.166 1.00 0.00 H new ATOM 1799 N ARG A 119 26.238 -9.338 -4.976 1.00 0.00 N ATOM 1800 CA ARG A 119 26.835 -8.885 -6.217 1.00 0.00 C ATOM 1801 C ARG A 119 28.194 -8.308 -5.939 1.00 0.00 C ATOM 1802 O ARG A 119 28.306 -7.270 -5.290 1.00 0.00 O ATOM 1803 CB ARG A 119 25.969 -7.799 -6.870 1.00 0.00 C ATOM 1804 CG ARG A 119 24.512 -8.168 -7.084 1.00 0.00 C ATOM 1805 CD ARG A 119 24.346 -9.396 -7.959 1.00 0.00 C ATOM 1806 NE ARG A 119 22.933 -9.719 -8.144 1.00 0.00 N ATOM 1807 CZ ARG A 119 22.444 -10.899 -8.534 1.00 0.00 C ATOM 1808 NH1 ARG A 119 23.261 -11.912 -8.813 1.00 0.00 N ATOM 1809 NH2 ARG A 119 21.136 -11.058 -8.644 1.00 0.00 N ATOM 0 H ARG A 119 25.888 -8.587 -4.382 1.00 0.00 H new ATOM 0 HA ARG A 119 26.913 -9.738 -6.891 1.00 0.00 H new ATOM 0 HB2 ARG A 119 26.012 -6.903 -6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 119 26.406 -7.541 -7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 119 24.040 -8.348 -6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 119 23.991 -7.327 -7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 119 24.813 -9.222 -8.928 1.00 0.00 H new ATOM 0 HD3 ARG A 119 24.860 -10.243 -7.505 1.00 0.00 H new ATOM 0 HE ARG A 119 22.259 -8.976 -7.959 1.00 0.00 H new ATOM 0 HH11 ARG A 119 24.270 -11.791 -8.730 1.00 0.00 H new ATOM 0 HH12 ARG A 119 22.878 -12.809 -9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 119 20.508 -10.283 -8.432 1.00 0.00 H new ATOM 0 HH22 ARG A 119 20.755 -11.956 -8.941 1.00 0.00 H new ATOM 1822 N LEU A 120 29.216 -8.958 -6.409 1.00 0.00 N ATOM 1823 CA LEU A 120 30.553 -8.478 -6.197 1.00 0.00 C ATOM 1824 C LEU A 120 31.169 -7.990 -7.472 1.00 0.00 C ATOM 1825 O LEU A 120 31.024 -8.619 -8.526 1.00 0.00 O ATOM 1826 CB LEU A 120 31.481 -9.509 -5.524 1.00 0.00 C ATOM 1827 CG LEU A 120 31.207 -9.850 -4.056 1.00 0.00 C ATOM 1828 CD1 LEU A 120 31.047 -8.593 -3.233 1.00 0.00 C ATOM 1829 CD2 LEU A 120 30.017 -10.779 -3.895 1.00 0.00 C ATOM 0 H LEU A 120 29.152 -9.824 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 120 30.452 -7.643 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 120 31.431 -10.433 -6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 120 32.504 -9.141 -5.599 1.00 0.00 H new ATOM 0 HG LEU A 120 32.076 -10.391 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 120 30.853 -8.860 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 120 31.961 -8.001 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 120 30.212 -8.009 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 120 29.862 -10.992 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 120 29.126 -10.303 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 120 30.208 -11.710 -4.428 1.00 0.00 H new