USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=13 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 Set 1.1: A 43 ASN : amide:sc= -1.25! C(o=-1.2!,f=-2.2!) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.327 (180deg=-2.34) USER MOD Single : A 51 GLN : amide:sc= 1.03 K(o=1,f=-0.19) USER MOD Single : A 53 SER OG : rot -166:sc= -1.32 USER MOD Single : A 62 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc=-0.00908 (180deg=-0.114) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 1.12 (180deg=0.978) USER MOD Single : A 75 HIS : no HD1:sc= -2.24 K(o=-2.2,f=-2.9!) USER MOD Single : A 82 THR OG1 : rot -53:sc= 1.21 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 2:sc= 0.497 USER MOD Single : A 90 THR OG1 : rot 131:sc= 0.485 USER MOD Single : A 93 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 100 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.6!) USER MOD Single : A 106 ASN : amide:sc= -0.0672 X(o=-0.067,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 156:sc= -0.101 (180deg=-0.535) USER MOD Single : A 113 SER OG : rot -31:sc= 0.273 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 675 N ASN A 43 13.990 -2.014 -2.897 1.00 0.00 N ATOM 676 CA ASN A 43 14.951 -1.802 -1.822 1.00 0.00 C ATOM 677 C ASN A 43 16.355 -2.230 -2.196 1.00 0.00 C ATOM 678 O ASN A 43 16.548 -3.246 -2.874 1.00 0.00 O ATOM 679 CB ASN A 43 14.492 -2.552 -0.578 1.00 0.00 C ATOM 680 CG ASN A 43 13.179 -2.022 -0.006 1.00 0.00 C ATOM 681 OD1 ASN A 43 12.880 -0.828 -0.082 1.00 0.00 O ATOM 682 ND2 ASN A 43 12.394 -2.895 0.573 1.00 0.00 N ATOM 0 HA ASN A 43 14.990 -0.730 -1.626 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.375 -3.608 -0.821 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.267 -2.485 0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.507 -2.594 0.977 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.669 -3.876 0.620 1.00 0.00 H new ATOM 689 N LEU A 44 17.335 -1.451 -1.766 1.00 0.00 N ATOM 690 CA LEU A 44 18.736 -1.746 -2.020 1.00 0.00 C ATOM 691 C LEU A 44 19.596 -1.553 -0.770 1.00 0.00 C ATOM 692 O LEU A 44 19.155 -0.986 0.250 1.00 0.00 O ATOM 693 CB LEU A 44 19.300 -0.900 -3.176 1.00 0.00 C ATOM 694 CG LEU A 44 18.777 -1.209 -4.586 1.00 0.00 C ATOM 695 CD1 LEU A 44 19.383 -0.246 -5.593 1.00 0.00 C ATOM 696 CD2 LEU A 44 19.107 -2.646 -4.977 1.00 0.00 C ATOM 0 H LEU A 44 17.181 -0.596 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 44 18.778 -2.796 -2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 44 19.094 0.148 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 44 20.384 -1.017 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 44 17.694 -1.088 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 44 19.004 -0.475 -6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 44 19.112 0.776 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 44 20.468 -0.347 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 44 18.728 -2.846 -5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 44 20.188 -2.788 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.641 -3.332 -4.269 1.00 0.00 H new ATOM 708 N ILE A 45 20.823 -2.021 -0.865 1.00 0.00 N ATOM 709 CA ILE A 45 21.795 -1.945 0.198 1.00 0.00 C ATOM 710 C ILE A 45 23.149 -1.446 -0.323 1.00 0.00 C ATOM 711 O ILE A 45 23.672 -1.961 -1.333 1.00 0.00 O ATOM 712 CB ILE A 45 21.951 -3.320 0.950 1.00 0.00 C ATOM 713 CG1 ILE A 45 23.249 -3.363 1.696 1.00 0.00 C ATOM 714 CG2 ILE A 45 21.984 -4.447 -0.019 1.00 0.00 C ATOM 715 CD1 ILE A 45 23.304 -4.298 2.850 1.00 0.00 C ATOM 0 H ILE A 45 21.178 -2.476 -1.706 1.00 0.00 H new ATOM 0 HA ILE A 45 21.423 -1.220 0.922 1.00 0.00 H new ATOM 0 HB ILE A 45 21.103 -3.413 1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 45 24.039 -3.634 0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 45 23.472 -2.359 2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 45 22.092 -5.388 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 45 21.057 -4.462 -0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.827 -4.319 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.289 -4.246 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 45 22.544 -4.020 3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.120 -5.315 2.503 1.00 0.00 H new ATOM 727 N VAL A 46 23.721 -0.497 0.388 1.00 0.00 N ATOM 728 CA VAL A 46 24.982 0.109 0.025 1.00 0.00 C ATOM 729 C VAL A 46 26.063 -0.236 1.058 1.00 0.00 C ATOM 730 O VAL A 46 25.845 -0.164 2.255 1.00 0.00 O ATOM 731 CB VAL A 46 24.846 1.651 -0.119 1.00 0.00 C ATOM 732 CG1 VAL A 46 26.189 2.313 -0.377 1.00 0.00 C ATOM 733 CG2 VAL A 46 23.897 1.991 -1.241 1.00 0.00 C ATOM 0 H VAL A 46 23.317 -0.121 1.246 1.00 0.00 H new ATOM 0 HA VAL A 46 25.279 -0.296 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 46 24.453 2.031 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 46 26.051 3.390 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 46 26.863 2.105 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.617 1.920 -1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 46 23.812 3.074 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 46 24.277 1.579 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 46 22.916 1.566 -1.029 1.00 0.00 H new ATOM 743 N LYS A 47 27.186 -0.655 0.559 1.00 0.00 N ATOM 744 CA LYS A 47 28.360 -1.008 1.346 1.00 0.00 C ATOM 745 C LYS A 47 29.535 -0.547 0.548 1.00 0.00 C ATOM 746 O LYS A 47 29.470 -0.547 -0.697 1.00 0.00 O ATOM 747 CB LYS A 47 28.554 -2.544 1.555 1.00 0.00 C ATOM 748 CG LYS A 47 27.392 -3.326 2.159 1.00 0.00 C ATOM 749 CD LYS A 47 26.724 -4.230 1.116 1.00 0.00 C ATOM 750 CE LYS A 47 26.186 -3.420 -0.038 1.00 0.00 C ATOM 751 NZ LYS A 47 25.430 -4.201 -1.009 1.00 0.00 N ATOM 0 H LYS A 47 27.330 -0.770 -0.444 1.00 0.00 H new ATOM 0 HA LYS A 47 28.250 -0.555 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.791 -2.988 0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.425 -2.689 2.194 1.00 0.00 H new ATOM 0 HG2 LYS A 47 27.752 -3.932 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 47 26.657 -2.632 2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 47 27.445 -4.960 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.913 -4.790 1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 47 25.546 -2.629 0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 47 27.019 -2.934 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 24.860 -3.563 -1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 26.087 -4.736 -1.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 24.803 -4.863 -0.509 1.00 0.00 H new ATOM 764 N ALA A 48 30.561 -0.160 1.212 1.00 0.00 N ATOM 765 CA ALA A 48 31.790 0.253 0.597 1.00 0.00 C ATOM 766 C ALA A 48 32.839 0.158 1.650 1.00 0.00 C ATOM 767 O ALA A 48 32.504 0.189 2.833 1.00 0.00 O ATOM 768 CB ALA A 48 31.690 1.680 0.076 1.00 0.00 C ATOM 0 H ALA A 48 30.580 -0.117 2.231 1.00 0.00 H new ATOM 0 HA ALA A 48 32.025 -0.379 -0.259 1.00 0.00 H new ATOM 0 HB1 ALA A 48 32.635 1.966 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 48 30.892 1.742 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.471 2.355 0.903 1.00 0.00 H new ATOM 774 N ASP A 49 34.093 0.053 1.262 1.00 0.00 N ATOM 775 CA ASP A 49 35.155 -0.069 2.252 1.00 0.00 C ATOM 776 C ASP A 49 35.478 1.300 2.844 1.00 0.00 C ATOM 777 O ASP A 49 36.181 1.413 3.853 1.00 0.00 O ATOM 778 CB ASP A 49 36.416 -0.730 1.674 1.00 0.00 C ATOM 779 CG ASP A 49 37.226 0.161 0.766 1.00 0.00 C ATOM 780 OD1 ASP A 49 36.768 0.472 -0.350 1.00 0.00 O ATOM 781 OD2 ASP A 49 38.355 0.538 1.141 1.00 0.00 O ATOM 0 H ASP A 49 34.403 0.049 0.290 1.00 0.00 H new ATOM 0 HA ASP A 49 34.794 -0.723 3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 49 37.049 -1.060 2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 49 36.123 -1.622 1.120 1.00 0.00 H new ATOM 786 N VAL A 50 34.958 2.331 2.204 1.00 0.00 N ATOM 787 CA VAL A 50 35.052 3.687 2.659 1.00 0.00 C ATOM 788 C VAL A 50 33.652 4.112 3.109 1.00 0.00 C ATOM 789 O VAL A 50 32.665 3.869 2.404 1.00 0.00 O ATOM 790 CB VAL A 50 35.571 4.612 1.532 1.00 0.00 C ATOM 791 CG1 VAL A 50 35.591 6.054 1.975 1.00 0.00 C ATOM 792 CG2 VAL A 50 36.955 4.184 1.096 1.00 0.00 C ATOM 0 H VAL A 50 34.445 2.234 1.328 1.00 0.00 H new ATOM 0 HA VAL A 50 35.760 3.765 3.484 1.00 0.00 H new ATOM 0 HB VAL A 50 34.888 4.525 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 50 35.960 6.679 1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 50 34.582 6.366 2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 50 36.246 6.160 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 50 37.307 4.844 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.637 4.240 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 50 36.919 3.159 0.726 1.00 0.00 H new ATOM 802 N GLN A 51 33.569 4.742 4.260 1.00 0.00 N ATOM 803 CA GLN A 51 32.295 5.058 4.886 1.00 0.00 C ATOM 804 C GLN A 51 31.561 6.113 4.092 1.00 0.00 C ATOM 805 O GLN A 51 30.422 5.934 3.754 1.00 0.00 O ATOM 806 CB GLN A 51 32.533 5.472 6.353 1.00 0.00 C ATOM 807 CG GLN A 51 31.333 5.420 7.324 1.00 0.00 C ATOM 808 CD GLN A 51 30.230 6.431 7.073 1.00 0.00 C ATOM 809 OE1 GLN A 51 30.300 7.561 7.540 1.00 0.00 O ATOM 810 NE2 GLN A 51 29.182 6.014 6.422 1.00 0.00 N ATOM 0 H GLN A 51 34.382 5.052 4.793 1.00 0.00 H new ATOM 0 HA GLN A 51 31.654 4.176 4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 51 33.318 4.833 6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 51 32.920 6.491 6.354 1.00 0.00 H new ATOM 0 HG2 GLN A 51 30.899 4.421 7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 51 31.705 5.563 8.338 1.00 0.00 H new ATOM 0 HE21 GLN A 51 29.159 5.066 6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 51 28.385 6.636 6.287 1.00 0.00 H new ATOM 819 N GLY A 52 32.220 7.149 3.708 1.00 0.00 N ATOM 820 CA GLY A 52 31.514 8.191 3.003 1.00 0.00 C ATOM 821 C GLY A 52 31.200 7.864 1.566 1.00 0.00 C ATOM 822 O GLY A 52 30.512 8.638 0.882 1.00 0.00 O ATOM 0 H GLY A 52 33.216 7.308 3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.582 8.401 3.528 1.00 0.00 H new ATOM 0 HA3 GLY A 52 32.110 9.103 3.034 1.00 0.00 H new ATOM 826 N SER A 53 31.617 6.698 1.113 1.00 0.00 N ATOM 827 CA SER A 53 31.314 6.292 -0.223 1.00 0.00 C ATOM 828 C SER A 53 29.909 5.779 -0.197 1.00 0.00 C ATOM 829 O SER A 53 29.151 5.906 -1.165 1.00 0.00 O ATOM 830 CB SER A 53 32.283 5.217 -0.693 1.00 0.00 C ATOM 831 OG SER A 53 33.612 5.690 -0.639 1.00 0.00 O ATOM 0 H SER A 53 32.162 6.027 1.655 1.00 0.00 H new ATOM 0 HA SER A 53 31.412 7.123 -0.922 1.00 0.00 H new ATOM 0 HB2 SER A 53 32.181 4.329 -0.068 1.00 0.00 H new ATOM 0 HB3 SER A 53 32.038 4.919 -1.713 1.00 0.00 H new ATOM 0 HG SER A 53 34.195 5.085 -1.143 1.00 0.00 H new ATOM 837 N VAL A 54 29.533 5.250 0.962 1.00 0.00 N ATOM 838 CA VAL A 54 28.214 4.789 1.144 1.00 0.00 C ATOM 839 C VAL A 54 27.302 5.986 1.243 1.00 0.00 C ATOM 840 O VAL A 54 26.272 6.025 0.613 1.00 0.00 O ATOM 841 CB VAL A 54 28.042 3.854 2.369 1.00 0.00 C ATOM 842 CG1 VAL A 54 29.062 2.752 2.393 1.00 0.00 C ATOM 843 CG2 VAL A 54 27.912 4.538 3.719 1.00 0.00 C ATOM 0 H VAL A 54 30.142 5.142 1.773 1.00 0.00 H new ATOM 0 HA VAL A 54 27.953 4.175 0.282 1.00 0.00 H new ATOM 0 HB VAL A 54 27.060 3.409 2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 54 28.899 2.125 3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 54 28.966 2.147 1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 54 30.062 3.183 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 54 27.797 3.785 4.499 1.00 0.00 H new ATOM 0 HG22 VAL A 54 28.806 5.130 3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.039 5.191 3.714 1.00 0.00 H new ATOM 853 N GLU A 55 27.764 6.994 1.986 1.00 0.00 N ATOM 854 CA GLU A 55 27.039 8.262 2.171 1.00 0.00 C ATOM 855 C GLU A 55 26.696 8.888 0.818 1.00 0.00 C ATOM 856 O GLU A 55 25.548 9.260 0.566 1.00 0.00 O ATOM 857 CB GLU A 55 27.880 9.262 2.974 1.00 0.00 C ATOM 858 CG GLU A 55 28.250 8.827 4.387 1.00 0.00 C ATOM 859 CD GLU A 55 27.057 8.609 5.275 1.00 0.00 C ATOM 860 OE1 GLU A 55 26.263 9.548 5.475 1.00 0.00 O ATOM 861 OE2 GLU A 55 26.919 7.504 5.827 1.00 0.00 O ATOM 0 H GLU A 55 28.655 6.958 2.480 1.00 0.00 H new ATOM 0 HA GLU A 55 26.123 8.038 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 55 28.799 9.462 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 55 27.333 10.203 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 55 28.829 7.905 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 55 28.894 9.583 4.835 1.00 0.00 H new ATOM 868 N ALA A 56 27.696 8.947 -0.058 1.00 0.00 N ATOM 869 CA ALA A 56 27.549 9.538 -1.381 1.00 0.00 C ATOM 870 C ALA A 56 26.500 8.812 -2.206 1.00 0.00 C ATOM 871 O ALA A 56 25.702 9.444 -2.904 1.00 0.00 O ATOM 872 CB ALA A 56 28.881 9.541 -2.113 1.00 0.00 C ATOM 0 H ALA A 56 28.631 8.586 0.132 1.00 0.00 H new ATOM 0 HA ALA A 56 27.214 10.566 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 56 28.753 9.986 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 56 29.607 10.122 -1.544 1.00 0.00 H new ATOM 0 HB3 ALA A 56 29.239 8.517 -2.220 1.00 0.00 H new ATOM 878 N LEU A 57 26.478 7.499 -2.106 1.00 0.00 N ATOM 879 CA LEU A 57 25.543 6.713 -2.877 1.00 0.00 C ATOM 880 C LEU A 57 24.154 6.745 -2.234 1.00 0.00 C ATOM 881 O LEU A 57 23.150 6.815 -2.924 1.00 0.00 O ATOM 882 CB LEU A 57 26.067 5.282 -3.072 1.00 0.00 C ATOM 883 CG LEU A 57 25.202 4.341 -3.927 1.00 0.00 C ATOM 884 CD1 LEU A 57 24.903 4.959 -5.290 1.00 0.00 C ATOM 885 CD2 LEU A 57 25.915 3.020 -4.121 1.00 0.00 C ATOM 0 H LEU A 57 27.095 6.957 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 57 25.446 7.153 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 57 27.056 5.341 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 57 26.193 4.829 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 57 24.260 4.179 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.290 4.273 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 57 24.367 5.898 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 57 25.838 5.148 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 57 25.297 2.358 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.866 3.191 -4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 57 26.096 2.558 -3.150 1.00 0.00 H new ATOM 897 N VAL A 58 24.113 6.746 -0.911 1.00 0.00 N ATOM 898 CA VAL A 58 22.860 6.826 -0.158 1.00 0.00 C ATOM 899 C VAL A 58 22.120 8.107 -0.493 1.00 0.00 C ATOM 900 O VAL A 58 20.927 8.084 -0.752 1.00 0.00 O ATOM 901 CB VAL A 58 23.103 6.732 1.382 1.00 0.00 C ATOM 902 CG1 VAL A 58 21.862 7.115 2.188 1.00 0.00 C ATOM 903 CG2 VAL A 58 23.514 5.332 1.746 1.00 0.00 C ATOM 0 H VAL A 58 24.945 6.692 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 58 22.248 5.973 -0.451 1.00 0.00 H new ATOM 0 HB VAL A 58 23.895 7.439 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 58 22.080 7.034 3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 58 21.578 8.141 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 58 21.042 6.444 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 58 23.683 5.270 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 58 22.725 4.636 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.433 5.074 1.219 1.00 0.00 H new ATOM 913 N ALA A 59 22.845 9.200 -0.557 1.00 0.00 N ATOM 914 CA ALA A 59 22.267 10.510 -0.864 1.00 0.00 C ATOM 915 C ALA A 59 21.720 10.577 -2.296 1.00 0.00 C ATOM 916 O ALA A 59 20.942 11.468 -2.633 1.00 0.00 O ATOM 917 CB ALA A 59 23.293 11.601 -0.639 1.00 0.00 C ATOM 0 H ALA A 59 23.853 9.218 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 59 21.426 10.663 -0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 59 22.851 12.570 -0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 59 23.615 11.589 0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 59 24.153 11.431 -1.286 1.00 0.00 H new ATOM 923 N ALA A 60 22.098 9.622 -3.116 1.00 0.00 N ATOM 924 CA ALA A 60 21.659 9.574 -4.496 1.00 0.00 C ATOM 925 C ALA A 60 20.591 8.523 -4.642 1.00 0.00 C ATOM 926 O ALA A 60 19.884 8.470 -5.627 1.00 0.00 O ATOM 927 CB ALA A 60 22.826 9.233 -5.397 1.00 0.00 C ATOM 0 H ALA A 60 22.717 8.857 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 60 21.260 10.548 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.488 9.199 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 60 23.600 9.993 -5.293 1.00 0.00 H new ATOM 0 HB3 ALA A 60 23.231 8.261 -5.115 1.00 0.00 H new ATOM 933 N LEU A 61 20.467 7.716 -3.639 1.00 0.00 N ATOM 934 CA LEU A 61 19.557 6.616 -3.654 1.00 0.00 C ATOM 935 C LEU A 61 18.289 6.996 -2.891 1.00 0.00 C ATOM 936 O LEU A 61 17.192 6.694 -3.310 1.00 0.00 O ATOM 937 CB LEU A 61 20.243 5.424 -3.004 1.00 0.00 C ATOM 938 CG LEU A 61 20.202 4.082 -3.736 1.00 0.00 C ATOM 939 CD1 LEU A 61 18.779 3.570 -3.884 1.00 0.00 C ATOM 940 CD2 LEU A 61 20.887 4.178 -5.094 1.00 0.00 C ATOM 0 H LEU A 61 21.002 7.803 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 61 19.275 6.359 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.289 5.686 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.799 5.280 -2.019 1.00 0.00 H new ATOM 0 HG LEU A 61 20.751 3.362 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.789 2.615 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.336 3.437 -2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.190 4.290 -4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.843 3.210 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.380 4.924 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.929 4.469 -4.956 1.00 0.00 H new ATOM 952 N GLN A 62 18.445 7.724 -1.794 1.00 0.00 N ATOM 953 CA GLN A 62 17.297 8.144 -0.991 1.00 0.00 C ATOM 954 C GLN A 62 16.521 9.267 -1.683 1.00 0.00 C ATOM 955 O GLN A 62 15.481 9.709 -1.208 1.00 0.00 O ATOM 956 CB GLN A 62 17.716 8.579 0.422 1.00 0.00 C ATOM 957 CG GLN A 62 18.625 9.795 0.469 1.00 0.00 C ATOM 958 CD GLN A 62 18.977 10.229 1.882 1.00 0.00 C ATOM 959 OE1 GLN A 62 19.007 9.301 2.813 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 19.206 11.403 2.132 1.00 0.00 N flip ATOM 0 H GLN A 62 19.348 8.036 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 62 16.643 7.277 -0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.819 8.791 1.003 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.222 7.745 0.909 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.543 9.575 -0.075 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.139 10.623 -0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.175 12.099 1.387 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.429 11.687 3.086 1.00 0.00 H new ATOM 969 N LYS A 63 17.050 9.753 -2.790 1.00 0.00 N ATOM 970 CA LYS A 63 16.363 10.769 -3.550 1.00 0.00 C ATOM 971 C LYS A 63 15.507 10.149 -4.647 1.00 0.00 C ATOM 972 O LYS A 63 14.730 10.848 -5.324 1.00 0.00 O ATOM 973 CB LYS A 63 17.337 11.871 -4.070 1.00 0.00 C ATOM 974 CG LYS A 63 18.513 11.421 -4.966 1.00 0.00 C ATOM 975 CD LYS A 63 18.106 11.043 -6.392 1.00 0.00 C ATOM 976 CE LYS A 63 17.535 12.227 -7.167 1.00 0.00 C ATOM 977 NZ LYS A 63 18.507 13.328 -7.324 1.00 0.00 N ATOM 0 H LYS A 63 17.947 9.461 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 63 15.677 11.285 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 63 16.751 12.602 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 63 17.752 12.388 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.249 12.224 -5.011 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.003 10.565 -4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 63 18.973 10.649 -6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.365 10.244 -6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.212 11.890 -8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.650 12.600 -6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.133 14.029 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.668 13.783 -6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.406 12.949 -7.685 1.00 0.00 H new ATOM 1098 N VAL A 71 13.002 3.789 -5.152 1.00 0.00 N ATOM 1099 CA VAL A 71 14.058 2.840 -4.936 1.00 0.00 C ATOM 1100 C VAL A 71 14.854 3.385 -3.774 1.00 0.00 C ATOM 1101 O VAL A 71 15.452 4.445 -3.882 1.00 0.00 O ATOM 1102 CB VAL A 71 14.979 2.686 -6.184 1.00 0.00 C ATOM 1103 CG1 VAL A 71 16.027 1.603 -5.960 1.00 0.00 C ATOM 1104 CG2 VAL A 71 14.161 2.390 -7.440 1.00 0.00 C ATOM 0 HA VAL A 71 13.647 1.849 -4.741 1.00 0.00 H new ATOM 0 HB VAL A 71 15.495 3.635 -6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.656 1.516 -6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.644 1.866 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.531 0.650 -5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.830 2.288 -8.294 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.605 1.463 -7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.464 3.208 -7.621 1.00 0.00 H new ATOM 1114 N LYS A 72 14.833 2.707 -2.666 1.00 0.00 N ATOM 1115 CA LYS A 72 15.433 3.249 -1.477 1.00 0.00 C ATOM 1116 C LYS A 72 16.470 2.309 -0.903 1.00 0.00 C ATOM 1117 O LYS A 72 16.457 1.105 -1.156 1.00 0.00 O ATOM 1118 CB LYS A 72 14.341 3.545 -0.422 1.00 0.00 C ATOM 1119 CG LYS A 72 14.830 4.318 0.816 1.00 0.00 C ATOM 1120 CD LYS A 72 13.718 4.547 1.829 1.00 0.00 C ATOM 1121 CE LYS A 72 13.357 3.270 2.574 1.00 0.00 C ATOM 1122 NZ LYS A 72 14.465 2.809 3.448 1.00 0.00 N ATOM 0 H LYS A 72 14.411 1.785 -2.557 1.00 0.00 H new ATOM 0 HA LYS A 72 15.936 4.177 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.543 4.115 -0.897 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.907 2.600 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.642 3.766 1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.238 5.279 0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.029 5.309 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.835 4.931 1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.465 3.441 3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.111 2.488 1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.117 2.065 4.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.236 2.430 2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.819 3.609 4.010 1.00 0.00 H new ATOM 1135 N ILE A 73 17.350 2.870 -0.133 1.00 0.00 N ATOM 1136 CA ILE A 73 18.328 2.128 0.581 1.00 0.00 C ATOM 1137 C ILE A 73 17.824 1.826 1.980 1.00 0.00 C ATOM 1138 O ILE A 73 16.990 2.561 2.512 1.00 0.00 O ATOM 1139 CB ILE A 73 19.702 2.853 0.634 1.00 0.00 C ATOM 1140 CG1 ILE A 73 19.589 4.404 0.761 1.00 0.00 C ATOM 1141 CG2 ILE A 73 20.519 2.477 -0.565 1.00 0.00 C ATOM 1142 CD1 ILE A 73 18.929 4.926 2.025 1.00 0.00 C ATOM 0 H ILE A 73 17.405 3.878 0.016 1.00 0.00 H new ATOM 0 HA ILE A 73 18.490 1.193 0.044 1.00 0.00 H new ATOM 0 HB ILE A 73 20.199 2.518 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 73 20.592 4.827 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 73 19.031 4.778 -0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 73 21.481 2.987 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 73 20.680 1.399 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 73 19.991 2.771 -1.472 1.00 0.00 H new ATOM 0 HD11 ILE A 73 18.907 6.016 2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 73 17.910 4.544 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 73 19.495 4.594 2.895 1.00 0.00 H new ATOM 1154 N ILE A 74 18.240 0.729 2.539 1.00 0.00 N ATOM 1155 CA ILE A 74 17.816 0.388 3.896 1.00 0.00 C ATOM 1156 C ILE A 74 19.018 0.250 4.819 1.00 0.00 C ATOM 1157 O ILE A 74 18.923 0.439 6.043 1.00 0.00 O ATOM 1158 CB ILE A 74 17.016 -0.946 3.915 1.00 0.00 C ATOM 1159 CG1 ILE A 74 15.868 -0.894 2.914 1.00 0.00 C ATOM 1160 CG2 ILE A 74 16.458 -1.238 5.314 1.00 0.00 C ATOM 1161 CD1 ILE A 74 15.103 -2.180 2.834 1.00 0.00 C ATOM 0 H ILE A 74 18.864 0.053 2.098 1.00 0.00 H new ATOM 0 HA ILE A 74 17.176 1.197 4.246 1.00 0.00 H new ATOM 0 HB ILE A 74 17.703 -1.746 3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.187 -0.089 3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 74 16.264 -0.651 1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 74 15.904 -2.176 5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.281 -1.316 6.025 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.793 -0.429 5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.299 -2.080 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.773 -2.983 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 74 14.680 -2.413 3.811 1.00 0.00 H new ATOM 1173 N HIS A 75 20.146 -0.039 4.239 1.00 0.00 N ATOM 1174 CA HIS A 75 21.310 -0.359 5.007 1.00 0.00 C ATOM 1175 C HIS A 75 22.571 0.046 4.262 1.00 0.00 C ATOM 1176 O HIS A 75 22.831 -0.423 3.148 1.00 0.00 O ATOM 1177 CB HIS A 75 21.262 -1.870 5.346 1.00 0.00 C ATOM 1178 CG HIS A 75 22.436 -2.470 6.084 1.00 0.00 C ATOM 1179 ND1 HIS A 75 23.317 -1.767 6.868 1.00 0.00 N ATOM 1180 CD2 HIS A 75 22.880 -3.743 6.092 1.00 0.00 C ATOM 1181 CE1 HIS A 75 24.251 -2.587 7.304 1.00 0.00 C ATOM 1182 NE2 HIS A 75 24.011 -3.786 6.843 1.00 0.00 N ATOM 0 H HIS A 75 20.283 -0.059 3.228 1.00 0.00 H new ATOM 0 HA HIS A 75 21.327 0.202 5.941 1.00 0.00 H new ATOM 0 HB2 HIS A 75 20.367 -2.050 5.941 1.00 0.00 H new ATOM 0 HB3 HIS A 75 21.140 -2.418 4.412 1.00 0.00 H new ATOM 0 HD2 HIS A 75 22.418 -4.580 5.590 1.00 0.00 H new ATOM 0 HE1 HIS A 75 25.080 -2.313 7.939 1.00 0.00 H new ATOM 0 HE2 HIS A 75 24.578 -4.616 7.018 1.00 0.00 H new ATOM 1190 N ALA A 76 23.290 0.954 4.860 1.00 0.00 N ATOM 1191 CA ALA A 76 24.556 1.442 4.381 1.00 0.00 C ATOM 1192 C ALA A 76 25.586 1.168 5.443 1.00 0.00 C ATOM 1193 O ALA A 76 25.356 1.475 6.614 1.00 0.00 O ATOM 1194 CB ALA A 76 24.464 2.929 4.130 1.00 0.00 C ATOM 0 H ALA A 76 22.998 1.394 5.733 1.00 0.00 H new ATOM 0 HA ALA A 76 24.830 0.948 3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 76 25.424 3.297 3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 76 23.695 3.125 3.383 1.00 0.00 H new ATOM 0 HB3 ALA A 76 24.207 3.439 5.058 1.00 0.00 H new ATOM 1200 N ALA A 77 26.684 0.572 5.076 1.00 0.00 N ATOM 1201 CA ALA A 77 27.709 0.245 6.039 1.00 0.00 C ATOM 1202 C ALA A 77 29.072 0.364 5.432 1.00 0.00 C ATOM 1203 O ALA A 77 29.236 0.218 4.213 1.00 0.00 O ATOM 1204 CB ALA A 77 27.506 -1.165 6.577 1.00 0.00 C ATOM 0 H ALA A 77 26.897 0.300 4.116 1.00 0.00 H new ATOM 0 HA ALA A 77 27.632 0.955 6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 77 28.288 -1.394 7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 77 26.532 -1.233 7.061 1.00 0.00 H new ATOM 0 HB3 ALA A 77 27.553 -1.879 5.754 1.00 0.00 H new ATOM 1210 N VAL A 78 30.046 0.624 6.260 1.00 0.00 N ATOM 1211 CA VAL A 78 31.396 0.654 5.805 1.00 0.00 C ATOM 1212 C VAL A 78 31.988 -0.726 6.040 1.00 0.00 C ATOM 1213 O VAL A 78 32.435 -1.082 7.136 1.00 0.00 O ATOM 1214 CB VAL A 78 32.248 1.804 6.466 1.00 0.00 C ATOM 1215 CG1 VAL A 78 32.144 1.809 7.986 1.00 0.00 C ATOM 1216 CG2 VAL A 78 33.705 1.723 6.038 1.00 0.00 C ATOM 0 H VAL A 78 29.923 0.818 7.254 1.00 0.00 H new ATOM 0 HA VAL A 78 31.417 0.892 4.741 1.00 0.00 H new ATOM 0 HB VAL A 78 31.827 2.743 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 78 32.750 2.620 8.389 1.00 0.00 H new ATOM 0 HG12 VAL A 78 31.104 1.952 8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 78 32.504 0.858 8.378 1.00 0.00 H new ATOM 0 HG21 VAL A 78 34.268 2.529 6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 78 34.121 0.763 6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 78 33.772 1.820 4.954 1.00 0.00 H new ATOM 1226 N GLY A 79 31.900 -1.516 5.032 1.00 0.00 N ATOM 1227 CA GLY A 79 32.307 -2.854 5.107 1.00 0.00 C ATOM 1228 C GLY A 79 32.169 -3.522 3.787 1.00 0.00 C ATOM 1229 O GLY A 79 31.718 -2.910 2.806 1.00 0.00 O ATOM 0 H GLY A 79 31.536 -1.237 4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 79 33.344 -2.905 5.439 1.00 0.00 H new ATOM 0 HA3 GLY A 79 31.708 -3.380 5.850 1.00 0.00 H new ATOM 1233 N ALA A 80 32.588 -4.738 3.746 1.00 0.00 N ATOM 1234 CA ALA A 80 32.453 -5.582 2.600 1.00 0.00 C ATOM 1235 C ALA A 80 31.115 -6.334 2.723 1.00 0.00 C ATOM 1236 O ALA A 80 30.219 -5.863 3.411 1.00 0.00 O ATOM 1237 CB ALA A 80 33.624 -6.535 2.600 1.00 0.00 C ATOM 0 H ALA A 80 33.050 -5.192 4.533 1.00 0.00 H new ATOM 0 HA ALA A 80 32.452 -5.021 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 80 33.554 -7.197 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 80 34.554 -5.969 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 80 33.610 -7.128 3.514 1.00 0.00 H new ATOM 1243 N ILE A 81 30.961 -7.474 2.069 1.00 0.00 N ATOM 1244 CA ILE A 81 29.719 -8.207 2.223 1.00 0.00 C ATOM 1245 C ILE A 81 29.810 -9.030 3.482 1.00 0.00 C ATOM 1246 O ILE A 81 30.520 -10.063 3.526 1.00 0.00 O ATOM 1247 CB ILE A 81 29.339 -9.142 1.012 1.00 0.00 C ATOM 1248 CG1 ILE A 81 28.972 -8.367 -0.254 1.00 0.00 C ATOM 1249 CG2 ILE A 81 28.184 -10.067 1.372 1.00 0.00 C ATOM 1250 CD1 ILE A 81 30.097 -7.701 -0.969 1.00 0.00 C ATOM 0 H ILE A 81 31.652 -7.898 1.450 1.00 0.00 H new ATOM 0 HA ILE A 81 28.925 -7.462 2.269 1.00 0.00 H new ATOM 0 HB ILE A 81 30.236 -9.725 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 81 28.485 -9.054 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 81 28.237 -7.607 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 81 27.945 -10.700 0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 81 28.469 -10.693 2.218 1.00 0.00 H new ATOM 0 HG23 ILE A 81 27.311 -9.472 1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 81 29.714 -7.184 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 81 30.575 -6.981 -0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 81 30.827 -8.450 -1.277 1.00 0.00 H new ATOM 1262 N THR A 82 29.159 -8.586 4.510 1.00 0.00 N ATOM 1263 CA THR A 82 29.196 -9.310 5.718 1.00 0.00 C ATOM 1264 C THR A 82 27.908 -10.089 5.859 1.00 0.00 C ATOM 1265 O THR A 82 26.905 -9.773 5.203 1.00 0.00 O ATOM 1266 CB THR A 82 29.433 -8.385 6.952 1.00 0.00 C ATOM 1267 OG1 THR A 82 28.314 -7.509 7.175 1.00 0.00 O ATOM 1268 CG2 THR A 82 30.679 -7.538 6.745 1.00 0.00 C ATOM 0 H THR A 82 28.603 -7.731 4.528 1.00 0.00 H new ATOM 0 HA THR A 82 30.041 -9.998 5.687 1.00 0.00 H new ATOM 0 HB THR A 82 29.557 -9.030 7.821 1.00 0.00 H new ATOM 0 HG1 THR A 82 28.112 -7.020 6.350 1.00 0.00 H new ATOM 0 HG21 THR A 82 30.832 -6.898 7.614 1.00 0.00 H new ATOM 0 HG22 THR A 82 31.544 -8.189 6.617 1.00 0.00 H new ATOM 0 HG23 THR A 82 30.555 -6.920 5.856 1.00 0.00 H new ATOM 1276 N GLU A 83 27.922 -11.113 6.682 1.00 0.00 N ATOM 1277 CA GLU A 83 26.743 -11.925 6.935 1.00 0.00 C ATOM 1278 C GLU A 83 25.605 -11.040 7.529 1.00 0.00 C ATOM 1279 O GLU A 83 24.418 -11.275 7.294 1.00 0.00 O ATOM 1280 CB GLU A 83 27.172 -13.123 7.824 1.00 0.00 C ATOM 1281 CG GLU A 83 26.130 -14.196 8.124 1.00 0.00 C ATOM 1282 CD GLU A 83 25.269 -13.875 9.307 1.00 0.00 C ATOM 1283 OE1 GLU A 83 25.789 -13.884 10.437 1.00 0.00 O ATOM 1284 OE2 GLU A 83 24.076 -13.616 9.147 1.00 0.00 O ATOM 0 H GLU A 83 28.750 -11.411 7.198 1.00 0.00 H new ATOM 0 HA GLU A 83 26.323 -12.341 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 83 28.023 -13.607 7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 83 27.526 -12.725 8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 83 25.495 -14.331 7.248 1.00 0.00 H new ATOM 0 HG3 GLU A 83 26.637 -15.145 8.300 1.00 0.00 H new ATOM 1291 N SER A 84 25.997 -9.959 8.186 1.00 0.00 N ATOM 1292 CA SER A 84 25.061 -9.011 8.768 1.00 0.00 C ATOM 1293 C SER A 84 24.351 -8.175 7.666 1.00 0.00 C ATOM 1294 O SER A 84 23.252 -7.651 7.866 1.00 0.00 O ATOM 1295 CB SER A 84 25.818 -8.102 9.725 1.00 0.00 C ATOM 1296 OG SER A 84 26.620 -8.881 10.616 1.00 0.00 O ATOM 0 H SER A 84 26.977 -9.714 8.331 1.00 0.00 H new ATOM 0 HA SER A 84 24.288 -9.556 9.310 1.00 0.00 H new ATOM 0 HB2 SER A 84 26.450 -7.415 9.162 1.00 0.00 H new ATOM 0 HB3 SER A 84 25.114 -7.495 10.294 1.00 0.00 H new ATOM 0 HG SER A 84 27.104 -8.286 11.226 1.00 0.00 H new ATOM 1302 N ASP A 85 24.958 -8.088 6.504 1.00 0.00 N ATOM 1303 CA ASP A 85 24.360 -7.351 5.395 1.00 0.00 C ATOM 1304 C ASP A 85 23.351 -8.214 4.718 1.00 0.00 C ATOM 1305 O ASP A 85 22.310 -7.747 4.251 1.00 0.00 O ATOM 1306 CB ASP A 85 25.415 -6.904 4.384 1.00 0.00 C ATOM 1307 CG ASP A 85 26.375 -5.937 4.971 1.00 0.00 C ATOM 1308 OD1 ASP A 85 25.943 -4.835 5.397 1.00 0.00 O ATOM 1309 OD2 ASP A 85 27.550 -6.280 5.087 1.00 0.00 O ATOM 0 H ASP A 85 25.861 -8.513 6.295 1.00 0.00 H new ATOM 0 HA ASP A 85 23.882 -6.458 5.797 1.00 0.00 H new ATOM 0 HB2 ASP A 85 25.957 -7.775 4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 85 24.923 -6.449 3.524 1.00 0.00 H new ATOM 1314 N ILE A 86 23.638 -9.484 4.717 1.00 0.00 N ATOM 1315 CA ILE A 86 22.808 -10.466 4.082 1.00 0.00 C ATOM 1316 C ILE A 86 21.531 -10.696 4.866 1.00 0.00 C ATOM 1317 O ILE A 86 20.462 -10.900 4.287 1.00 0.00 O ATOM 1318 CB ILE A 86 23.606 -11.743 3.889 1.00 0.00 C ATOM 1319 CG1 ILE A 86 24.786 -11.404 2.992 1.00 0.00 C ATOM 1320 CG2 ILE A 86 22.753 -12.856 3.295 1.00 0.00 C ATOM 1321 CD1 ILE A 86 25.681 -12.537 2.720 1.00 0.00 C ATOM 0 H ILE A 86 24.468 -9.872 5.164 1.00 0.00 H new ATOM 0 HA ILE A 86 22.499 -10.103 3.102 1.00 0.00 H new ATOM 0 HB ILE A 86 23.955 -12.119 4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 86 24.409 -11.018 2.045 1.00 0.00 H new ATOM 0 HG13 ILE A 86 25.362 -10.603 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 86 23.360 -13.753 3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 86 21.919 -13.071 3.963 1.00 0.00 H new ATOM 0 HG23 ILE A 86 22.369 -12.542 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 86 26.496 -12.210 2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 86 26.090 -12.911 3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 86 25.122 -13.332 2.226 1.00 0.00 H new ATOM 1333 N SER A 87 21.626 -10.581 6.174 1.00 0.00 N ATOM 1334 CA SER A 87 20.455 -10.680 7.022 1.00 0.00 C ATOM 1335 C SER A 87 19.396 -9.581 6.716 1.00 0.00 C ATOM 1336 O SER A 87 18.240 -9.692 7.111 1.00 0.00 O ATOM 1337 CB SER A 87 20.863 -10.709 8.489 1.00 0.00 C ATOM 1338 OG SER A 87 21.747 -9.650 8.829 1.00 0.00 O ATOM 0 H SER A 87 22.500 -10.419 6.673 1.00 0.00 H new ATOM 0 HA SER A 87 19.960 -11.624 6.795 1.00 0.00 H new ATOM 0 HB2 SER A 87 19.971 -10.647 9.112 1.00 0.00 H new ATOM 0 HB3 SER A 87 21.342 -11.663 8.711 1.00 0.00 H new ATOM 0 HG SER A 87 21.896 -9.083 8.043 1.00 0.00 H new ATOM 1344 N LEU A 88 19.815 -8.530 6.023 1.00 0.00 N ATOM 1345 CA LEU A 88 18.913 -7.490 5.569 1.00 0.00 C ATOM 1346 C LEU A 88 18.422 -7.822 4.155 1.00 0.00 C ATOM 1347 O LEU A 88 17.257 -7.547 3.795 1.00 0.00 O ATOM 1348 CB LEU A 88 19.625 -6.099 5.643 1.00 0.00 C ATOM 1349 CG LEU A 88 18.882 -4.846 5.090 1.00 0.00 C ATOM 1350 CD1 LEU A 88 19.068 -4.700 3.582 1.00 0.00 C ATOM 1351 CD2 LEU A 88 17.399 -4.924 5.417 1.00 0.00 C ATOM 0 H LEU A 88 20.789 -8.378 5.762 1.00 0.00 H new ATOM 0 HA LEU A 88 18.039 -7.438 6.218 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.865 -5.906 6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 88 20.572 -6.184 5.109 1.00 0.00 H new ATOM 0 HG LEU A 88 19.316 -3.970 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.535 -3.815 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 88 20.129 -4.598 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.673 -5.583 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.893 -4.042 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.973 -5.819 4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.267 -4.967 6.498 1.00 0.00 H new ATOM 1363 N ALA A 89 19.286 -8.448 3.397 1.00 0.00 N ATOM 1364 CA ALA A 89 19.037 -8.780 2.009 1.00 0.00 C ATOM 1365 C ALA A 89 17.748 -9.587 1.828 1.00 0.00 C ATOM 1366 O ALA A 89 16.810 -9.133 1.166 1.00 0.00 O ATOM 1367 CB ALA A 89 20.233 -9.527 1.450 1.00 0.00 C ATOM 0 H ALA A 89 20.202 -8.749 3.730 1.00 0.00 H new ATOM 0 HA ALA A 89 18.898 -7.852 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 89 20.049 -9.779 0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 89 21.120 -8.898 1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 89 20.390 -10.442 2.021 1.00 0.00 H new ATOM 1373 N THR A 90 17.672 -10.738 2.469 1.00 0.00 N ATOM 1374 CA THR A 90 16.495 -11.608 2.357 1.00 0.00 C ATOM 1375 C THR A 90 15.349 -11.095 3.262 1.00 0.00 C ATOM 1376 O THR A 90 14.236 -11.612 3.240 1.00 0.00 O ATOM 1377 CB THR A 90 16.864 -13.080 2.735 1.00 0.00 C ATOM 1378 OG1 THR A 90 15.756 -13.969 2.530 1.00 0.00 O ATOM 1379 CG2 THR A 90 17.370 -13.187 4.166 1.00 0.00 C ATOM 0 H THR A 90 18.407 -11.101 3.076 1.00 0.00 H new ATOM 0 HA THR A 90 16.154 -11.588 1.322 1.00 0.00 H new ATOM 0 HB THR A 90 17.673 -13.381 2.069 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.054 -14.751 2.021 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.615 -14.225 4.389 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.261 -12.570 4.284 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.597 -12.842 4.852 1.00 0.00 H new ATOM 1387 N ALA A 91 15.628 -10.054 4.028 1.00 0.00 N ATOM 1388 CA ALA A 91 14.660 -9.520 4.962 1.00 0.00 C ATOM 1389 C ALA A 91 13.648 -8.610 4.283 1.00 0.00 C ATOM 1390 O ALA A 91 12.479 -8.951 4.154 1.00 0.00 O ATOM 1391 CB ALA A 91 15.352 -8.804 6.097 1.00 0.00 C ATOM 0 H ALA A 91 16.522 -9.562 4.019 1.00 0.00 H new ATOM 0 HA ALA A 91 14.105 -10.365 5.370 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.606 -8.410 6.787 1.00 0.00 H new ATOM 0 HB2 ALA A 91 16.002 -9.502 6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.948 -7.982 5.699 1.00 0.00 H new ATOM 1397 N SER A 92 14.100 -7.476 3.802 1.00 0.00 N ATOM 1398 CA SER A 92 13.194 -6.520 3.205 1.00 0.00 C ATOM 1399 C SER A 92 13.336 -6.549 1.673 1.00 0.00 C ATOM 1400 O SER A 92 12.725 -5.749 0.954 1.00 0.00 O ATOM 1401 CB SER A 92 13.438 -5.121 3.801 1.00 0.00 C ATOM 1402 OG SER A 92 12.418 -4.190 3.441 1.00 0.00 O ATOM 0 H SER A 92 15.080 -7.193 3.811 1.00 0.00 H new ATOM 0 HA SER A 92 12.163 -6.788 3.435 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.490 -5.196 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.404 -4.747 3.460 1.00 0.00 H new ATOM 0 HG SER A 92 12.615 -3.318 3.843 1.00 0.00 H new ATOM 1408 N ASN A 93 14.141 -7.502 1.202 1.00 0.00 N ATOM 1409 CA ASN A 93 14.405 -7.741 -0.233 1.00 0.00 C ATOM 1410 C ASN A 93 15.306 -6.708 -0.853 1.00 0.00 C ATOM 1411 O ASN A 93 14.861 -5.823 -1.585 1.00 0.00 O ATOM 1412 CB ASN A 93 13.149 -7.973 -1.118 1.00 0.00 C ATOM 1413 CG ASN A 93 12.445 -9.307 -0.898 1.00 0.00 C ATOM 1414 OD1 ASN A 93 12.387 -9.775 0.322 1.00 0.00 O flip ATOM 1415 ND2 ASN A 93 11.916 -9.888 -1.838 1.00 0.00 N flip ATOM 0 H ASN A 93 14.642 -8.147 1.813 1.00 0.00 H new ATOM 0 HA ASN A 93 14.934 -8.694 -0.218 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.438 -7.168 -0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 93 13.443 -7.902 -2.165 1.00 0.00 H new ATOM 0 HD21 ASN A 93 11.978 -9.498 -2.779 1.00 0.00 H new ATOM 0 HD22 ASN A 93 11.413 -10.761 -1.680 1.00 0.00 H new ATOM 1422 N ALA A 94 16.555 -6.781 -0.492 1.00 0.00 N ATOM 1423 CA ALA A 94 17.578 -5.959 -1.083 1.00 0.00 C ATOM 1424 C ALA A 94 18.702 -6.873 -1.534 1.00 0.00 C ATOM 1425 O ALA A 94 19.067 -7.772 -0.816 1.00 0.00 O ATOM 1426 CB ALA A 94 18.085 -4.945 -0.070 1.00 0.00 C ATOM 0 H ALA A 94 16.898 -7.418 0.227 1.00 0.00 H new ATOM 0 HA ALA A 94 17.181 -5.406 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.859 -4.329 -0.528 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.260 -4.311 0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.500 -5.468 0.791 1.00 0.00 H new ATOM 1432 N ILE A 95 19.224 -6.671 -2.708 1.00 0.00 N ATOM 1433 CA ILE A 95 20.305 -7.525 -3.197 1.00 0.00 C ATOM 1434 C ILE A 95 21.653 -6.863 -2.875 1.00 0.00 C ATOM 1435 O ILE A 95 21.804 -5.626 -2.956 1.00 0.00 O ATOM 1436 CB ILE A 95 20.159 -7.827 -4.732 1.00 0.00 C ATOM 1437 CG1 ILE A 95 21.313 -8.717 -5.238 1.00 0.00 C ATOM 1438 CG2 ILE A 95 20.056 -6.537 -5.541 1.00 0.00 C ATOM 1439 CD1 ILE A 95 21.216 -9.113 -6.699 1.00 0.00 C ATOM 0 H ILE A 95 18.934 -5.934 -3.351 1.00 0.00 H new ATOM 0 HA ILE A 95 20.252 -8.489 -2.690 1.00 0.00 H new ATOM 0 HB ILE A 95 19.231 -8.380 -4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 95 22.255 -8.191 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 95 21.348 -9.622 -4.632 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.956 -6.778 -6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.184 -5.971 -5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.955 -5.939 -5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.069 -9.737 -6.964 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.294 -9.670 -6.865 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.215 -8.217 -7.320 1.00 0.00 H new ATOM 1451 N VAL A 96 22.616 -7.656 -2.489 1.00 0.00 N ATOM 1452 CA VAL A 96 23.863 -7.152 -2.062 1.00 0.00 C ATOM 1453 C VAL A 96 24.860 -7.124 -3.210 1.00 0.00 C ATOM 1454 O VAL A 96 25.432 -8.130 -3.581 1.00 0.00 O ATOM 1455 CB VAL A 96 24.426 -7.992 -0.891 1.00 0.00 C ATOM 1456 CG1 VAL A 96 25.734 -7.427 -0.383 1.00 0.00 C ATOM 1457 CG2 VAL A 96 23.423 -8.102 0.244 1.00 0.00 C ATOM 0 H VAL A 96 22.542 -8.673 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 96 23.706 -6.131 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 96 24.615 -8.993 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 96 26.101 -8.041 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.467 -7.425 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 96 25.578 -6.407 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 96 23.850 -8.698 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.184 -7.106 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 96 22.514 -8.581 -0.119 1.00 0.00 H new ATOM 1467 N ILE A 97 25.018 -5.967 -3.783 1.00 0.00 N ATOM 1468 CA ILE A 97 26.012 -5.745 -4.806 1.00 0.00 C ATOM 1469 C ILE A 97 27.245 -5.205 -4.092 1.00 0.00 C ATOM 1470 O ILE A 97 27.108 -4.497 -3.079 1.00 0.00 O ATOM 1471 CB ILE A 97 25.510 -4.683 -5.846 1.00 0.00 C ATOM 1472 CG1 ILE A 97 24.118 -5.056 -6.406 1.00 0.00 C ATOM 1473 CG2 ILE A 97 26.512 -4.485 -6.989 1.00 0.00 C ATOM 1474 CD1 ILE A 97 24.049 -6.404 -7.091 1.00 0.00 C ATOM 0 H ILE A 97 24.461 -5.143 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 97 26.222 -6.668 -5.347 1.00 0.00 H new ATOM 0 HB ILE A 97 25.422 -3.737 -5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 97 23.398 -5.043 -5.588 1.00 0.00 H new ATOM 0 HG13 ILE A 97 23.810 -4.288 -7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 97 26.126 -3.742 -7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 97 27.464 -4.142 -6.583 1.00 0.00 H new ATOM 0 HG23 ILE A 97 26.660 -5.430 -7.511 1.00 0.00 H new ATOM 0 HD11 ILE A 97 23.035 -6.578 -7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 97 24.740 -6.420 -7.933 1.00 0.00 H new ATOM 0 HD13 ILE A 97 24.322 -7.186 -6.383 1.00 0.00 H new ATOM 1486 N GLY A 98 28.401 -5.568 -4.544 1.00 0.00 N ATOM 1487 CA GLY A 98 29.615 -5.110 -3.912 1.00 0.00 C ATOM 1488 C GLY A 98 30.701 -4.836 -4.910 1.00 0.00 C ATOM 1489 O GLY A 98 30.685 -5.383 -6.015 1.00 0.00 O ATOM 0 H GLY A 98 28.540 -6.180 -5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 98 29.408 -4.203 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 98 29.958 -5.861 -3.200 1.00 0.00 H new ATOM 1493 N PHE A 99 31.662 -4.034 -4.525 1.00 0.00 N ATOM 1494 CA PHE A 99 32.726 -3.661 -5.433 1.00 0.00 C ATOM 1495 C PHE A 99 34.079 -4.035 -4.874 1.00 0.00 C ATOM 1496 O PHE A 99 34.620 -3.334 -4.040 1.00 0.00 O ATOM 1497 CB PHE A 99 32.653 -2.175 -5.833 1.00 0.00 C ATOM 1498 CG PHE A 99 31.572 -1.872 -6.843 1.00 0.00 C ATOM 1499 CD1 PHE A 99 30.261 -1.657 -6.450 1.00 0.00 C ATOM 1500 CD2 PHE A 99 31.879 -1.811 -8.194 1.00 0.00 C ATOM 1501 CE1 PHE A 99 29.280 -1.387 -7.386 1.00 0.00 C ATOM 1502 CE2 PHE A 99 30.902 -1.540 -9.132 1.00 0.00 C ATOM 1503 CZ PHE A 99 29.601 -1.329 -8.727 1.00 0.00 C ATOM 0 H PHE A 99 31.733 -3.626 -3.593 1.00 0.00 H new ATOM 0 HA PHE A 99 32.585 -4.232 -6.350 1.00 0.00 H new ATOM 0 HB2 PHE A 99 32.482 -1.575 -4.939 1.00 0.00 H new ATOM 0 HB3 PHE A 99 33.616 -1.870 -6.242 1.00 0.00 H new ATOM 0 HD1 PHE A 99 30.003 -1.701 -5.402 1.00 0.00 H new ATOM 0 HD2 PHE A 99 32.896 -1.978 -8.517 1.00 0.00 H new ATOM 0 HE1 PHE A 99 28.261 -1.221 -7.067 1.00 0.00 H new ATOM 0 HE2 PHE A 99 31.157 -1.493 -10.181 1.00 0.00 H new ATOM 0 HZ PHE A 99 28.834 -1.119 -9.458 1.00 0.00 H new ATOM 1513 N ASN A 100 34.555 -5.215 -5.286 1.00 0.00 N ATOM 1514 CA ASN A 100 35.862 -5.850 -4.882 1.00 0.00 C ATOM 1515 C ASN A 100 36.093 -6.039 -3.382 1.00 0.00 C ATOM 1516 O ASN A 100 37.071 -6.659 -2.974 1.00 0.00 O ATOM 1517 CB ASN A 100 37.079 -5.238 -5.577 1.00 0.00 C ATOM 1518 CG ASN A 100 37.115 -5.574 -7.054 1.00 0.00 C ATOM 1519 OD1 ASN A 100 36.598 -6.610 -7.485 1.00 0.00 O ATOM 1520 ND2 ASN A 100 37.739 -4.740 -7.830 1.00 0.00 N ATOM 0 H ASN A 100 34.033 -5.798 -5.940 1.00 0.00 H new ATOM 0 HA ASN A 100 35.745 -6.866 -5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 100 37.062 -4.155 -5.451 1.00 0.00 H new ATOM 0 HB3 ASN A 100 37.990 -5.600 -5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 100 37.814 -4.931 -8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 100 38.154 -3.894 -7.440 1.00 0.00 H new ATOM 1527 N VAL A 101 35.185 -5.541 -2.587 1.00 0.00 N ATOM 1528 CA VAL A 101 35.204 -5.701 -1.142 1.00 0.00 C ATOM 1529 C VAL A 101 35.078 -7.171 -0.776 1.00 0.00 C ATOM 1530 O VAL A 101 35.816 -7.679 0.070 1.00 0.00 O ATOM 1531 CB VAL A 101 34.095 -4.862 -0.433 1.00 0.00 C ATOM 1532 CG1 VAL A 101 34.528 -3.420 -0.255 1.00 0.00 C ATOM 1533 CG2 VAL A 101 32.768 -4.909 -1.195 1.00 0.00 C ATOM 0 H VAL A 101 34.390 -4.999 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 101 36.162 -5.321 -0.787 1.00 0.00 H new ATOM 0 HB VAL A 101 33.943 -5.312 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 101 33.735 -2.861 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 101 35.432 -3.384 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 101 34.728 -2.977 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 101 32.024 -4.312 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.910 -4.507 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 101 32.424 -5.941 -1.263 1.00 0.00 H new ATOM 1543 N ARG A 102 34.137 -7.840 -1.455 1.00 0.00 N ATOM 1544 CA ARG A 102 33.934 -9.285 -1.370 1.00 0.00 C ATOM 1545 C ARG A 102 33.343 -9.734 -0.022 1.00 0.00 C ATOM 1546 O ARG A 102 33.306 -8.966 0.916 1.00 0.00 O ATOM 1547 CB ARG A 102 35.221 -10.003 -1.795 1.00 0.00 C ATOM 1548 CG ARG A 102 35.556 -9.664 -3.241 1.00 0.00 C ATOM 1549 CD ARG A 102 36.953 -10.039 -3.627 1.00 0.00 C ATOM 1550 NE ARG A 102 37.962 -9.337 -2.816 1.00 0.00 N ATOM 1551 CZ ARG A 102 39.156 -9.842 -2.456 1.00 0.00 C ATOM 1552 NH1 ARG A 102 39.500 -11.080 -2.808 1.00 0.00 N ATOM 1553 NH2 ARG A 102 40.000 -9.100 -1.754 1.00 0.00 N ATOM 0 H ARG A 102 33.485 -7.379 -2.090 1.00 0.00 H new ATOM 0 HA ARG A 102 33.159 -9.583 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 102 36.044 -9.707 -1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 102 35.099 -11.081 -1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 102 34.854 -10.176 -3.899 1.00 0.00 H new ATOM 0 HG3 ARG A 102 35.417 -8.594 -3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 102 37.083 -11.115 -3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 102 37.111 -9.808 -4.680 1.00 0.00 H new ATOM 0 HE ARG A 102 37.738 -8.393 -2.502 1.00 0.00 H new ATOM 0 HH11 ARG A 102 38.856 -11.652 -3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 102 40.407 -11.455 -2.531 1.00 0.00 H new ATOM 0 HH21 ARG A 102 39.744 -8.149 -1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 102 40.906 -9.480 -1.479 1.00 0.00 H new ATOM 1566 N PRO A 103 32.770 -10.933 0.069 1.00 0.00 N ATOM 1567 CA PRO A 103 32.146 -11.378 1.289 1.00 0.00 C ATOM 1568 C PRO A 103 33.034 -12.198 2.171 1.00 0.00 C ATOM 1569 O PRO A 103 34.149 -12.603 1.794 1.00 0.00 O ATOM 1570 CB PRO A 103 31.021 -12.291 0.800 1.00 0.00 C ATOM 1571 CG PRO A 103 31.309 -12.577 -0.649 1.00 0.00 C ATOM 1572 CD PRO A 103 32.631 -11.941 -0.981 1.00 0.00 C ATOM 0 HA PRO A 103 31.846 -10.516 1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 103 30.989 -13.214 1.380 1.00 0.00 H new ATOM 0 HB3 PRO A 103 30.051 -11.808 0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 103 31.345 -13.652 -0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 103 30.520 -12.174 -1.284 1.00 0.00 H new ATOM 0 HD2 PRO A 103 33.446 -12.664 -0.959 1.00 0.00 H new ATOM 0 HD3 PRO A 103 32.628 -11.494 -1.975 1.00 0.00 H new ATOM 1580 N ASP A 104 32.538 -12.429 3.348 1.00 0.00 N ATOM 1581 CA ASP A 104 33.106 -13.404 4.236 1.00 0.00 C ATOM 1582 C ASP A 104 32.720 -14.756 3.684 1.00 0.00 C ATOM 1583 O ASP A 104 31.700 -14.870 2.973 1.00 0.00 O ATOM 1584 CB ASP A 104 32.550 -13.270 5.671 1.00 0.00 C ATOM 1585 CG ASP A 104 33.017 -12.035 6.412 1.00 0.00 C ATOM 1586 OD1 ASP A 104 34.150 -12.036 6.920 1.00 0.00 O ATOM 1587 OD2 ASP A 104 32.258 -11.064 6.534 1.00 0.00 O ATOM 0 H ASP A 104 31.723 -11.945 3.724 1.00 0.00 H new ATOM 0 HA ASP A 104 34.186 -13.266 4.295 1.00 0.00 H new ATOM 0 HB2 ASP A 104 31.461 -13.261 5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 104 32.838 -14.152 6.243 1.00 0.00 H new ATOM 1592 N ALA A 105 33.485 -15.767 3.992 1.00 0.00 N ATOM 1593 CA ALA A 105 33.205 -17.112 3.510 1.00 0.00 C ATOM 1594 C ALA A 105 31.853 -17.587 4.031 1.00 0.00 C ATOM 1595 O ALA A 105 31.103 -18.249 3.342 1.00 0.00 O ATOM 1596 CB ALA A 105 34.311 -18.063 3.930 1.00 0.00 C ATOM 0 H ALA A 105 34.316 -15.694 4.579 1.00 0.00 H new ATOM 0 HA ALA A 105 33.166 -17.096 2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 105 34.088 -19.065 3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 105 35.259 -17.726 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 105 34.381 -18.082 5.018 1.00 0.00 H new ATOM 1602 N ASN A 106 31.550 -17.206 5.236 1.00 0.00 N ATOM 1603 CA ASN A 106 30.281 -17.529 5.854 1.00 0.00 C ATOM 1604 C ASN A 106 29.169 -16.682 5.283 1.00 0.00 C ATOM 1605 O ASN A 106 28.075 -17.176 5.081 1.00 0.00 O ATOM 1606 CB ASN A 106 30.383 -17.372 7.354 1.00 0.00 C ATOM 1607 CG ASN A 106 29.073 -17.537 8.147 1.00 0.00 C ATOM 1608 OD1 ASN A 106 28.888 -16.874 9.165 1.00 0.00 O ATOM 1609 ND2 ASN A 106 28.199 -18.426 7.743 1.00 0.00 N ATOM 0 H ASN A 106 32.174 -16.659 5.829 1.00 0.00 H new ATOM 0 HA ASN A 106 30.038 -18.569 5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 106 31.103 -18.101 7.726 1.00 0.00 H new ATOM 0 HB3 ASN A 106 30.791 -16.384 7.568 1.00 0.00 H new ATOM 0 HD21 ASN A 106 27.344 -18.579 8.277 1.00 0.00 H new ATOM 0 HD22 ASN A 106 28.374 -18.965 6.895 1.00 0.00 H new ATOM 1616 N ALA A 107 29.453 -15.418 4.999 1.00 0.00 N ATOM 1617 CA ALA A 107 28.469 -14.557 4.381 1.00 0.00 C ATOM 1618 C ALA A 107 28.028 -15.129 3.037 1.00 0.00 C ATOM 1619 O ALA A 107 26.849 -15.282 2.790 1.00 0.00 O ATOM 1620 CB ALA A 107 29.004 -13.148 4.222 1.00 0.00 C ATOM 0 H ALA A 107 30.352 -14.974 5.187 1.00 0.00 H new ATOM 0 HA ALA A 107 27.598 -14.510 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 107 28.245 -12.521 3.755 1.00 0.00 H new ATOM 0 HB2 ALA A 107 29.257 -12.742 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 107 29.896 -13.166 3.595 1.00 0.00 H new ATOM 1626 N LYS A 108 28.986 -15.513 2.207 1.00 0.00 N ATOM 1627 CA LYS A 108 28.677 -16.067 0.885 1.00 0.00 C ATOM 1628 C LYS A 108 27.792 -17.354 0.984 1.00 0.00 C ATOM 1629 O LYS A 108 27.011 -17.655 0.085 1.00 0.00 O ATOM 1630 CB LYS A 108 29.967 -16.347 0.088 1.00 0.00 C ATOM 1631 CG LYS A 108 30.634 -17.664 0.403 1.00 0.00 C ATOM 1632 CD LYS A 108 31.829 -17.908 -0.490 1.00 0.00 C ATOM 1633 CE LYS A 108 32.277 -19.350 -0.409 1.00 0.00 C ATOM 1634 NZ LYS A 108 31.261 -20.277 -0.953 1.00 0.00 N ATOM 0 H LYS A 108 29.982 -15.454 2.418 1.00 0.00 H new ATOM 0 HA LYS A 108 28.099 -15.316 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 108 29.733 -16.320 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 108 30.677 -15.542 0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 108 30.950 -17.672 1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 108 29.916 -18.475 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 108 31.575 -17.659 -1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 108 32.648 -17.251 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 108 33.210 -19.471 -0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 108 32.484 -19.608 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 31.722 -21.158 -1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 30.557 -20.491 -0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 30.788 -19.835 -1.767 1.00 0.00 H new ATOM 1647 N ARG A 109 27.925 -18.089 2.092 1.00 0.00 N ATOM 1648 CA ARG A 109 27.212 -19.241 2.384 1.00 0.00 C ATOM 1649 C ARG A 109 25.804 -18.867 2.798 1.00 0.00 C ATOM 1650 O ARG A 109 24.814 -19.410 2.290 1.00 0.00 O ATOM 1651 CB ARG A 109 27.897 -19.851 3.569 1.00 0.00 C ATOM 1652 CG ARG A 109 29.176 -20.610 3.313 1.00 0.00 C ATOM 1653 CD ARG A 109 29.683 -21.275 4.580 1.00 0.00 C ATOM 1654 NE ARG A 109 28.648 -22.061 5.262 1.00 0.00 N ATOM 1655 CZ ARG A 109 28.595 -22.241 6.594 1.00 0.00 C ATOM 1656 NH1 ARG A 109 29.572 -21.770 7.377 1.00 0.00 N ATOM 1657 NH2 ARG A 109 27.588 -22.910 7.134 1.00 0.00 N ATOM 0 H ARG A 109 28.587 -17.842 2.827 1.00 0.00 H new ATOM 0 HA ARG A 109 27.170 -19.914 1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 109 28.114 -19.054 4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 109 27.194 -20.528 4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 109 29.006 -21.365 2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 109 29.935 -19.929 2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 109 30.523 -21.925 4.333 1.00 0.00 H new ATOM 0 HD3 ARG A 109 30.060 -20.511 5.260 1.00 0.00 H new ATOM 0 HE ARG A 109 27.924 -22.498 4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 109 30.361 -21.272 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 109 29.528 -21.909 8.387 1.00 0.00 H new ATOM 0 HH21 ARG A 109 26.851 -23.290 6.540 1.00 0.00 H new ATOM 0 HH22 ARG A 109 27.549 -23.046 8.144 1.00 0.00 H new ATOM 1670 N ALA A 110 25.750 -17.919 3.726 1.00 0.00 N ATOM 1671 CA ALA A 110 24.533 -17.401 4.299 1.00 0.00 C ATOM 1672 C ALA A 110 23.633 -16.912 3.226 1.00 0.00 C ATOM 1673 O ALA A 110 22.506 -17.316 3.176 1.00 0.00 O ATOM 1674 CB ALA A 110 24.857 -16.280 5.265 1.00 0.00 C ATOM 0 H ALA A 110 26.588 -17.480 4.108 1.00 0.00 H new ATOM 0 HA ALA A 110 24.026 -18.199 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 110 23.934 -15.892 5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 110 25.497 -16.660 6.062 1.00 0.00 H new ATOM 0 HB3 ALA A 110 25.374 -15.480 4.734 1.00 0.00 H new ATOM 1680 N ALA A 111 24.200 -16.118 2.307 1.00 0.00 N ATOM 1681 CA ALA A 111 23.474 -15.529 1.174 1.00 0.00 C ATOM 1682 C ALA A 111 22.651 -16.559 0.467 1.00 0.00 C ATOM 1683 O ALA A 111 21.469 -16.357 0.190 1.00 0.00 O ATOM 1684 CB ALA A 111 24.449 -14.917 0.171 1.00 0.00 C ATOM 0 H ALA A 111 25.188 -15.864 2.330 1.00 0.00 H new ATOM 0 HA ALA A 111 22.820 -14.756 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 111 23.892 -14.486 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 111 25.032 -14.137 0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 111 25.119 -15.691 -0.203 1.00 0.00 H new ATOM 1690 N GLU A 112 23.244 -17.693 0.258 1.00 0.00 N ATOM 1691 CA GLU A 112 22.613 -18.719 -0.496 1.00 0.00 C ATOM 1692 C GLU A 112 21.542 -19.431 0.276 1.00 0.00 C ATOM 1693 O GLU A 112 20.488 -19.732 -0.267 1.00 0.00 O ATOM 1694 CB GLU A 112 23.601 -19.687 -1.070 1.00 0.00 C ATOM 1695 CG GLU A 112 24.500 -19.131 -2.140 1.00 0.00 C ATOM 1696 CD GLU A 112 25.234 -20.222 -2.851 1.00 0.00 C ATOM 1697 OE1 GLU A 112 26.283 -20.689 -2.350 1.00 0.00 O ATOM 1698 OE2 GLU A 112 24.768 -20.653 -3.926 1.00 0.00 O ATOM 0 H GLU A 112 24.174 -17.928 0.605 1.00 0.00 H new ATOM 0 HA GLU A 112 22.122 -18.217 -1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 112 24.222 -20.070 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 112 23.055 -20.536 -1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 112 23.908 -18.561 -2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 112 25.215 -18.439 -1.695 1.00 0.00 H new ATOM 1705 N SER A 113 21.762 -19.638 1.531 1.00 0.00 N ATOM 1706 CA SER A 113 20.769 -20.281 2.366 1.00 0.00 C ATOM 1707 C SER A 113 19.717 -19.236 2.768 1.00 0.00 C ATOM 1708 O SER A 113 18.796 -19.500 3.543 1.00 0.00 O ATOM 1709 CB SER A 113 21.461 -20.884 3.587 1.00 0.00 C ATOM 1710 OG SER A 113 20.568 -21.602 4.427 1.00 0.00 O ATOM 0 H SER A 113 22.620 -19.375 2.015 1.00 0.00 H new ATOM 0 HA SER A 113 20.267 -21.087 1.831 1.00 0.00 H new ATOM 0 HB2 SER A 113 22.257 -21.551 3.255 1.00 0.00 H new ATOM 0 HB3 SER A 113 21.932 -20.087 4.162 1.00 0.00 H new ATOM 0 HG SER A 113 19.676 -21.200 4.376 1.00 0.00 H new ATOM 1716 N GLU A 114 19.874 -18.074 2.211 1.00 0.00 N ATOM 1717 CA GLU A 114 19.055 -16.961 2.458 1.00 0.00 C ATOM 1718 C GLU A 114 18.407 -16.449 1.243 1.00 0.00 C ATOM 1719 O GLU A 114 17.823 -15.376 1.280 1.00 0.00 O ATOM 1720 CB GLU A 114 19.854 -15.897 3.108 1.00 0.00 C ATOM 1721 CG GLU A 114 19.901 -16.096 4.583 1.00 0.00 C ATOM 1722 CD GLU A 114 20.698 -15.104 5.381 1.00 0.00 C ATOM 1723 OE1 GLU A 114 20.340 -13.923 5.399 1.00 0.00 O ATOM 1724 OE2 GLU A 114 21.631 -15.532 6.117 1.00 0.00 O ATOM 0 H GLU A 114 20.619 -17.883 1.541 1.00 0.00 H new ATOM 0 HA GLU A 114 18.253 -17.284 3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.866 -15.898 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.422 -14.922 2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.878 -16.088 4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.305 -17.090 4.778 1.00 0.00 H new ATOM 1731 N LYS A 115 18.508 -17.193 0.152 1.00 0.00 N ATOM 1732 CA LYS A 115 17.812 -16.872 -1.044 1.00 0.00 C ATOM 1733 C LYS A 115 18.266 -15.573 -1.705 1.00 0.00 C ATOM 1734 O LYS A 115 17.638 -15.098 -2.662 1.00 0.00 O ATOM 1735 CB LYS A 115 16.354 -16.837 -0.697 1.00 0.00 C ATOM 1736 CG LYS A 115 15.690 -18.193 -0.658 1.00 0.00 C ATOM 1737 CD LYS A 115 15.587 -18.815 -2.058 1.00 0.00 C ATOM 1738 CE LYS A 115 14.956 -20.201 -2.026 1.00 0.00 C ATOM 1739 NZ LYS A 115 14.849 -20.791 -3.383 1.00 0.00 N ATOM 0 H LYS A 115 19.081 -18.034 0.090 1.00 0.00 H new ATOM 0 HA LYS A 115 18.029 -17.632 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.236 -16.360 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.835 -16.212 -1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.257 -18.857 -0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.693 -18.098 -0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 115 14.996 -18.163 -2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.582 -18.880 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.552 -20.857 -1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.964 -20.138 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.415 -21.734 -3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.260 -20.179 -3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.798 -20.875 -3.801 1.00 0.00 H new ATOM 1752 N VAL A 116 19.350 -15.024 -1.252 1.00 0.00 N ATOM 1753 CA VAL A 116 19.810 -13.794 -1.811 1.00 0.00 C ATOM 1754 C VAL A 116 21.113 -13.956 -2.496 1.00 0.00 C ATOM 1755 O VAL A 116 21.863 -14.897 -2.229 1.00 0.00 O ATOM 1756 CB VAL A 116 19.849 -12.639 -0.803 1.00 0.00 C ATOM 1757 CG1 VAL A 116 18.441 -12.192 -0.496 1.00 0.00 C ATOM 1758 CG2 VAL A 116 20.554 -13.063 0.469 1.00 0.00 C ATOM 0 H VAL A 116 19.928 -15.405 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 116 19.067 -13.516 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 116 20.405 -11.808 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.468 -11.371 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 116 17.957 -11.857 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.879 -13.025 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 116 20.571 -12.229 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 116 20.023 -13.903 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 116 21.576 -13.362 0.236 1.00 0.00 H new ATOM 1768 N ASP A 117 21.374 -13.087 -3.395 1.00 0.00 N ATOM 1769 CA ASP A 117 22.567 -13.163 -4.149 1.00 0.00 C ATOM 1770 C ASP A 117 23.440 -12.020 -3.801 1.00 0.00 C ATOM 1771 O ASP A 117 22.964 -10.892 -3.586 1.00 0.00 O ATOM 1772 CB ASP A 117 22.292 -13.162 -5.662 1.00 0.00 C ATOM 1773 CG ASP A 117 21.394 -14.290 -6.104 1.00 0.00 C ATOM 1774 OD1 ASP A 117 21.867 -15.442 -6.206 1.00 0.00 O ATOM 1775 OD2 ASP A 117 20.178 -14.049 -6.342 1.00 0.00 O ATOM 0 H ASP A 117 20.768 -12.301 -3.631 1.00 0.00 H new ATOM 0 HA ASP A 117 23.060 -14.104 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 117 21.836 -12.212 -5.941 1.00 0.00 H new ATOM 0 HB3 ASP A 117 23.239 -13.230 -6.197 1.00 0.00 H new ATOM 1780 N ILE A 118 24.683 -12.294 -3.671 1.00 0.00 N ATOM 1781 CA ILE A 118 25.637 -11.278 -3.482 1.00 0.00 C ATOM 1782 C ILE A 118 26.443 -11.158 -4.756 1.00 0.00 C ATOM 1783 O ILE A 118 27.151 -12.091 -5.170 1.00 0.00 O ATOM 1784 CB ILE A 118 26.526 -11.544 -2.256 1.00 0.00 C ATOM 1785 CG1 ILE A 118 27.131 -12.948 -2.289 1.00 0.00 C ATOM 1786 CG2 ILE A 118 25.777 -11.269 -0.965 1.00 0.00 C ATOM 1787 CD1 ILE A 118 27.909 -13.299 -1.070 1.00 0.00 C ATOM 0 H ILE A 118 25.067 -13.239 -3.693 1.00 0.00 H new ATOM 0 HA ILE A 118 25.136 -10.333 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 118 27.362 -10.846 -2.295 1.00 0.00 H new ATOM 0 HG12 ILE A 118 26.329 -13.675 -2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 118 27.781 -13.032 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.431 -11.466 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.459 -10.227 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 118 24.902 -11.917 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 118 28.306 -14.309 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 118 28.733 -12.596 -0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 118 27.259 -13.249 -0.197 1.00 0.00 H new ATOM 1799 N ARG A 119 26.306 -10.055 -5.402 1.00 0.00 N ATOM 1800 CA ARG A 119 26.930 -9.878 -6.658 1.00 0.00 C ATOM 1801 C ARG A 119 27.998 -8.817 -6.551 1.00 0.00 C ATOM 1802 O ARG A 119 27.730 -7.616 -6.532 1.00 0.00 O ATOM 1803 CB ARG A 119 25.884 -9.585 -7.732 1.00 0.00 C ATOM 1804 CG ARG A 119 26.411 -9.627 -9.147 1.00 0.00 C ATOM 1805 CD ARG A 119 25.281 -9.555 -10.156 1.00 0.00 C ATOM 1806 NE ARG A 119 24.559 -8.285 -10.095 1.00 0.00 N ATOM 1807 CZ ARG A 119 23.284 -8.104 -10.464 1.00 0.00 C ATOM 1808 NH1 ARG A 119 22.520 -9.147 -10.798 1.00 0.00 N ATOM 1809 NH2 ARG A 119 22.768 -6.885 -10.467 1.00 0.00 N ATOM 0 H ARG A 119 25.762 -9.257 -5.075 1.00 0.00 H new ATOM 0 HA ARG A 119 27.430 -10.797 -6.964 1.00 0.00 H new ATOM 0 HB2 ARG A 119 25.073 -10.307 -7.638 1.00 0.00 H new ATOM 0 HB3 ARG A 119 25.457 -8.600 -7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 119 27.098 -8.796 -9.307 1.00 0.00 H new ATOM 0 HG3 ARG A 119 26.980 -10.544 -9.299 1.00 0.00 H new ATOM 0 HD2 ARG A 119 25.684 -9.693 -11.159 1.00 0.00 H new ATOM 0 HD3 ARG A 119 24.585 -10.374 -9.977 1.00 0.00 H new ATOM 0 HE ARG A 119 25.066 -7.473 -9.744 1.00 0.00 H new ATOM 0 HH11 ARG A 119 22.906 -10.091 -10.773 1.00 0.00 H new ATOM 0 HH12 ARG A 119 21.550 -9.000 -11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 119 23.341 -6.088 -10.189 1.00 0.00 H new ATOM 0 HH22 ARG A 119 21.798 -6.743 -10.747 1.00 0.00 H new ATOM 1822 N LEU A 120 29.194 -9.275 -6.396 1.00 0.00 N ATOM 1823 CA LEU A 120 30.336 -8.431 -6.264 1.00 0.00 C ATOM 1824 C LEU A 120 31.264 -8.655 -7.410 1.00 0.00 C ATOM 1825 O LEU A 120 31.371 -9.787 -7.898 1.00 0.00 O ATOM 1826 CB LEU A 120 31.054 -8.557 -4.866 1.00 0.00 C ATOM 1827 CG LEU A 120 31.277 -9.961 -4.207 1.00 0.00 C ATOM 1828 CD1 LEU A 120 29.977 -10.591 -3.739 1.00 0.00 C ATOM 1829 CD2 LEU A 120 32.065 -10.922 -5.090 1.00 0.00 C ATOM 0 H LEU A 120 29.411 -10.271 -6.356 1.00 0.00 H new ATOM 0 HA LEU A 120 29.988 -7.398 -6.296 1.00 0.00 H new ATOM 0 HB2 LEU A 120 32.034 -8.089 -4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 120 30.484 -7.956 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 120 31.890 -9.771 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 120 30.184 -11.562 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 120 29.504 -9.943 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 120 29.308 -10.720 -4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 120 32.184 -11.875 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 120 31.528 -11.080 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 120 33.047 -10.499 -5.302 1.00 0.00 H new