USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 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= -1.88! C(o=-1.9!,f=-3.4!) USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 1.23 (180deg=0.872) USER MOD Single : A 51 GLN : amide:sc= 1.24 K(o=1.2,f=-0.013) USER MOD Single : A 53 SER OG : rot -170:sc= -1.04 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.194 F(o=-1.9,f=-0.19) 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 :FLIP no HD1:sc= -0.152 F(o=-0.65,f=-0.15) USER MOD Single : A 82 THR OG1 : rot -75:sc= 1.12 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -37:sc= 0.801 USER MOD Single : A 90 THR OG1 : rot -29:sc= 0.119 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= -0.0969 F(o=-1.4!,f=-0.097) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 106 ASN : amide:sc=-0.00707 K(o=-0.0071,f=-3.8!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -33:sc= 0.368 USER MOD Single : A 115 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0197) USER MOD ----------------------------------------------------------------- ATOM 675 N ASN A 43 14.385 -2.283 -2.088 1.00 0.00 N ATOM 676 CA ASN A 43 15.232 -1.748 -1.065 1.00 0.00 C ATOM 677 C ASN A 43 16.642 -2.204 -1.295 1.00 0.00 C ATOM 678 O ASN A 43 16.850 -3.225 -1.929 1.00 0.00 O ATOM 679 CB ASN A 43 14.740 -2.152 0.327 1.00 0.00 C ATOM 680 CG ASN A 43 13.344 -1.625 0.623 1.00 0.00 C ATOM 681 OD1 ASN A 43 13.175 -0.472 1.023 1.00 0.00 O ATOM 682 ND2 ASN A 43 12.353 -2.467 0.505 1.00 0.00 N ATOM 0 HA ASN A 43 15.201 -0.660 -1.113 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.740 -3.239 0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.434 -1.776 1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.406 -2.177 0.747 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.526 -3.415 0.171 1.00 0.00 H new ATOM 689 N LEU A 44 17.609 -1.432 -0.843 1.00 0.00 N ATOM 690 CA LEU A 44 19.011 -1.782 -1.003 1.00 0.00 C ATOM 691 C LEU A 44 19.832 -1.484 0.253 1.00 0.00 C ATOM 692 O LEU A 44 19.396 -0.757 1.165 1.00 0.00 O ATOM 693 CB LEU A 44 19.650 -1.060 -2.216 1.00 0.00 C ATOM 694 CG LEU A 44 19.144 -1.446 -3.620 1.00 0.00 C ATOM 695 CD1 LEU A 44 19.879 -0.654 -4.686 1.00 0.00 C ATOM 696 CD2 LEU A 44 19.328 -2.932 -3.872 1.00 0.00 C ATOM 0 H LEU A 44 17.450 -0.549 -0.357 1.00 0.00 H new ATOM 0 HA LEU A 44 19.029 -2.857 -1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 44 19.500 0.012 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 44 20.725 -1.237 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 44 18.081 -1.211 -3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 44 19.509 -0.939 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 44 19.710 0.411 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 44 20.947 -0.865 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 44 18.964 -3.180 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 44 20.386 -3.185 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 44 18.767 -3.499 -3.129 1.00 0.00 H new ATOM 708 N ILE A 45 21.004 -2.061 0.280 1.00 0.00 N ATOM 709 CA ILE A 45 22.013 -1.853 1.293 1.00 0.00 C ATOM 710 C ILE A 45 23.291 -1.479 0.568 1.00 0.00 C ATOM 711 O ILE A 45 23.625 -2.080 -0.458 1.00 0.00 O ATOM 712 CB ILE A 45 22.243 -3.132 2.190 1.00 0.00 C ATOM 713 CG1 ILE A 45 23.658 -3.158 2.801 1.00 0.00 C ATOM 714 CG2 ILE A 45 21.968 -4.406 1.444 1.00 0.00 C ATOM 715 CD1 ILE A 45 23.823 -2.433 4.095 1.00 0.00 C ATOM 0 H ILE A 45 21.299 -2.722 -0.438 1.00 0.00 H new ATOM 0 HA ILE A 45 21.690 -1.065 1.974 1.00 0.00 H new ATOM 0 HB ILE A 45 21.524 -3.065 3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 45 23.949 -4.198 2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 45 24.353 -2.732 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 45 22.140 -5.258 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 45 20.932 -4.413 1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.632 -4.474 0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.857 -2.518 4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 45 23.571 -1.381 3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.162 -2.869 4.843 1.00 0.00 H new ATOM 727 N VAL A 46 23.962 -0.488 1.060 1.00 0.00 N ATOM 728 CA VAL A 46 25.165 -0.008 0.434 1.00 0.00 C ATOM 729 C VAL A 46 26.346 -0.160 1.386 1.00 0.00 C ATOM 730 O VAL A 46 26.283 0.289 2.549 1.00 0.00 O ATOM 731 CB VAL A 46 25.008 1.472 0.063 1.00 0.00 C ATOM 732 CG1 VAL A 46 26.291 2.038 -0.497 1.00 0.00 C ATOM 733 CG2 VAL A 46 23.871 1.698 -0.915 1.00 0.00 C ATOM 0 H VAL A 46 23.697 0.016 1.907 1.00 0.00 H new ATOM 0 HA VAL A 46 25.346 -0.594 -0.467 1.00 0.00 H new ATOM 0 HB VAL A 46 24.766 1.998 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 46 26.146 3.088 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 46 27.083 1.950 0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 46 26.572 1.485 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 46 23.798 2.760 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 46 24.061 1.137 -1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 46 22.935 1.359 -0.470 1.00 0.00 H new ATOM 743 N LYS A 47 27.412 -0.791 0.908 1.00 0.00 N ATOM 744 CA LYS A 47 28.624 -0.991 1.682 1.00 0.00 C ATOM 745 C LYS A 47 29.822 -0.904 0.759 1.00 0.00 C ATOM 746 O LYS A 47 29.778 -1.384 -0.373 1.00 0.00 O ATOM 747 CB LYS A 47 28.639 -2.347 2.418 1.00 0.00 C ATOM 748 CG LYS A 47 27.422 -2.597 3.291 1.00 0.00 C ATOM 749 CD LYS A 47 27.592 -3.784 4.200 1.00 0.00 C ATOM 750 CE LYS A 47 28.513 -3.466 5.370 1.00 0.00 C ATOM 751 NZ LYS A 47 28.624 -4.607 6.288 1.00 0.00 N ATOM 0 H LYS A 47 27.457 -1.180 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 47 28.663 -0.210 2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.713 -3.147 1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.534 -2.401 3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 47 27.223 -1.710 3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 47 26.550 -2.753 2.656 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.618 -4.097 4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 47 27.998 -4.622 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 47 29.502 -3.201 4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 47 28.133 -2.598 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 29.335 -4.397 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 27.704 -4.779 6.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 28.913 -5.453 5.757 1.00 0.00 H new ATOM 764 N ALA A 48 30.871 -0.298 1.228 1.00 0.00 N ATOM 765 CA ALA A 48 32.066 -0.107 0.442 1.00 0.00 C ATOM 766 C ALA A 48 33.255 -0.019 1.374 1.00 0.00 C ATOM 767 O ALA A 48 33.069 -0.036 2.588 1.00 0.00 O ATOM 768 CB ALA A 48 31.938 1.167 -0.392 1.00 0.00 C ATOM 0 H ALA A 48 30.928 0.083 2.173 1.00 0.00 H new ATOM 0 HA ALA A 48 32.206 -0.947 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 48 32.843 1.307 -0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.079 1.082 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.801 2.023 0.269 1.00 0.00 H new ATOM 774 N ASP A 49 34.457 0.059 0.816 1.00 0.00 N ATOM 775 CA ASP A 49 35.691 0.207 1.614 1.00 0.00 C ATOM 776 C ASP A 49 35.902 1.673 1.925 1.00 0.00 C ATOM 777 O ASP A 49 36.540 2.052 2.916 1.00 0.00 O ATOM 778 CB ASP A 49 36.910 -0.359 0.858 1.00 0.00 C ATOM 779 CG ASP A 49 38.230 -0.147 1.582 1.00 0.00 C ATOM 780 OD1 ASP A 49 38.425 -0.698 2.680 1.00 0.00 O ATOM 781 OD2 ASP A 49 39.108 0.565 1.045 1.00 0.00 O ATOM 0 H ASP A 49 34.615 0.023 -0.191 1.00 0.00 H new ATOM 0 HA ASP A 49 35.585 -0.356 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 49 36.762 -1.427 0.696 1.00 0.00 H new ATOM 0 HB3 ASP A 49 36.966 0.108 -0.125 1.00 0.00 H new ATOM 786 N VAL A 50 35.366 2.496 1.082 1.00 0.00 N ATOM 787 CA VAL A 50 35.373 3.896 1.281 1.00 0.00 C ATOM 788 C VAL A 50 33.999 4.271 1.785 1.00 0.00 C ATOM 789 O VAL A 50 32.993 3.980 1.128 1.00 0.00 O ATOM 790 CB VAL A 50 35.690 4.642 -0.029 1.00 0.00 C ATOM 791 CG1 VAL A 50 35.609 6.136 0.174 1.00 0.00 C ATOM 792 CG2 VAL A 50 37.065 4.251 -0.553 1.00 0.00 C ATOM 0 H VAL A 50 34.904 2.201 0.222 1.00 0.00 H new ATOM 0 HA VAL A 50 36.145 4.177 1.997 1.00 0.00 H new ATOM 0 HB VAL A 50 34.945 4.354 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 50 35.836 6.643 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 50 34.604 6.405 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 50 36.328 6.439 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 50 37.268 4.790 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 50 37.823 4.505 0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 50 37.090 3.178 -0.744 1.00 0.00 H new ATOM 802 N GLN A 51 33.941 4.891 2.946 1.00 0.00 N ATOM 803 CA GLN A 51 32.672 5.208 3.562 1.00 0.00 C ATOM 804 C GLN A 51 31.875 6.160 2.717 1.00 0.00 C ATOM 805 O GLN A 51 30.709 5.985 2.541 1.00 0.00 O ATOM 806 CB GLN A 51 32.830 5.795 4.946 1.00 0.00 C ATOM 807 CG GLN A 51 31.502 5.969 5.657 1.00 0.00 C ATOM 808 CD GLN A 51 31.614 6.809 6.880 1.00 0.00 C ATOM 809 OE1 GLN A 51 31.860 6.317 7.967 1.00 0.00 O ATOM 810 NE2 GLN A 51 31.402 8.083 6.719 1.00 0.00 N ATOM 0 H GLN A 51 34.758 5.185 3.481 1.00 0.00 H new ATOM 0 HA GLN A 51 32.139 4.261 3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 51 33.475 5.148 5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 51 33.329 6.761 4.873 1.00 0.00 H new ATOM 0 HG2 GLN A 51 30.785 6.423 4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 51 31.108 4.990 5.928 1.00 0.00 H new ATOM 0 HE21 GLN A 51 31.199 8.453 5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 51 31.439 8.712 7.522 1.00 0.00 H new ATOM 819 N GLY A 52 32.504 7.129 2.143 1.00 0.00 N ATOM 820 CA GLY A 52 31.743 8.077 1.379 1.00 0.00 C ATOM 821 C GLY A 52 31.253 7.551 0.058 1.00 0.00 C ATOM 822 O GLY A 52 30.485 8.222 -0.623 1.00 0.00 O ATOM 0 H GLY A 52 33.511 7.290 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.886 8.399 1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 52 32.357 8.960 1.201 1.00 0.00 H new ATOM 826 N SER A 53 31.621 6.322 -0.277 1.00 0.00 N ATOM 827 CA SER A 53 31.132 5.730 -1.482 1.00 0.00 C ATOM 828 C SER A 53 29.750 5.221 -1.169 1.00 0.00 C ATOM 829 O SER A 53 28.887 5.122 -2.038 1.00 0.00 O ATOM 830 CB SER A 53 32.050 4.602 -1.952 1.00 0.00 C ATOM 831 OG SER A 53 33.370 5.086 -2.160 1.00 0.00 O ATOM 0 H SER A 53 32.249 5.734 0.271 1.00 0.00 H new ATOM 0 HA SER A 53 31.105 6.454 -2.296 1.00 0.00 H new ATOM 0 HB2 SER A 53 32.062 3.803 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 53 31.664 4.173 -2.877 1.00 0.00 H new ATOM 0 HG SER A 53 33.904 4.397 -2.608 1.00 0.00 H new ATOM 837 N VAL A 54 29.531 4.968 0.123 1.00 0.00 N ATOM 838 CA VAL A 54 28.266 4.562 0.576 1.00 0.00 C ATOM 839 C VAL A 54 27.374 5.791 0.628 1.00 0.00 C ATOM 840 O VAL A 54 26.296 5.807 0.071 1.00 0.00 O ATOM 841 CB VAL A 54 28.307 3.812 1.956 1.00 0.00 C ATOM 842 CG1 VAL A 54 29.401 2.768 2.025 1.00 0.00 C ATOM 843 CG2 VAL A 54 28.258 4.687 3.217 1.00 0.00 C ATOM 0 H VAL A 54 30.240 5.047 0.852 1.00 0.00 H new ATOM 0 HA VAL A 54 27.863 3.828 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 54 27.347 3.296 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 54 29.380 2.283 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 54 29.242 2.022 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 54 30.370 3.246 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.293 4.052 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 54 29.112 5.365 3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.335 5.266 3.222 1.00 0.00 H new ATOM 853 N GLU A 55 27.918 6.850 1.210 1.00 0.00 N ATOM 854 CA GLU A 55 27.233 8.132 1.394 1.00 0.00 C ATOM 855 C GLU A 55 26.745 8.723 0.073 1.00 0.00 C ATOM 856 O GLU A 55 25.579 9.144 -0.050 1.00 0.00 O ATOM 857 CB GLU A 55 28.165 9.129 2.071 1.00 0.00 C ATOM 858 CG GLU A 55 28.600 8.745 3.473 1.00 0.00 C ATOM 859 CD GLU A 55 29.562 9.744 4.053 1.00 0.00 C ATOM 860 OE1 GLU A 55 29.186 10.939 4.208 1.00 0.00 O ATOM 861 OE2 GLU A 55 30.705 9.376 4.380 1.00 0.00 O ATOM 0 H GLU A 55 28.869 6.847 1.578 1.00 0.00 H new ATOM 0 HA GLU A 55 26.362 7.941 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 55 29.053 9.253 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 55 27.668 10.098 2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 55 27.724 8.668 4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 55 29.067 7.761 3.452 1.00 0.00 H new ATOM 868 N ALA A 56 27.631 8.744 -0.909 1.00 0.00 N ATOM 869 CA ALA A 56 27.327 9.299 -2.215 1.00 0.00 C ATOM 870 C ALA A 56 26.257 8.486 -2.926 1.00 0.00 C ATOM 871 O ALA A 56 25.452 9.029 -3.703 1.00 0.00 O ATOM 872 CB ALA A 56 28.585 9.386 -3.063 1.00 0.00 C ATOM 0 H ALA A 56 28.579 8.377 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 56 26.936 10.306 -2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 56 28.338 9.804 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 56 29.314 10.027 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 56 29.007 8.389 -3.192 1.00 0.00 H new ATOM 878 N LEU A 57 26.232 7.194 -2.655 1.00 0.00 N ATOM 879 CA LEU A 57 25.266 6.320 -3.261 1.00 0.00 C ATOM 880 C LEU A 57 23.923 6.437 -2.542 1.00 0.00 C ATOM 881 O LEU A 57 22.891 6.524 -3.182 1.00 0.00 O ATOM 882 CB LEU A 57 25.798 4.874 -3.294 1.00 0.00 C ATOM 883 CG LEU A 57 24.909 3.812 -3.960 1.00 0.00 C ATOM 884 CD1 LEU A 57 24.463 4.271 -5.341 1.00 0.00 C ATOM 885 CD2 LEU A 57 25.683 2.507 -4.092 1.00 0.00 C ATOM 0 H LEU A 57 26.877 6.732 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 57 25.101 6.621 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 57 26.759 4.880 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 57 25.987 4.560 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 57 24.027 3.661 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 57 23.835 3.504 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 57 23.896 5.198 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 57 25.338 4.440 -5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 57 25.051 1.755 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 57 26.571 2.671 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 57 25.982 2.160 -3.103 1.00 0.00 H new ATOM 897 N VAL A 58 23.966 6.512 -1.214 1.00 0.00 N ATOM 898 CA VAL A 58 22.768 6.658 -0.368 1.00 0.00 C ATOM 899 C VAL A 58 21.912 7.844 -0.794 1.00 0.00 C ATOM 900 O VAL A 58 20.697 7.726 -0.901 1.00 0.00 O ATOM 901 CB VAL A 58 23.152 6.793 1.136 1.00 0.00 C ATOM 902 CG1 VAL A 58 21.969 7.210 2.007 1.00 0.00 C ATOM 903 CG2 VAL A 58 23.691 5.488 1.630 1.00 0.00 C ATOM 0 H VAL A 58 24.836 6.474 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 58 22.179 5.751 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 58 23.906 7.576 1.210 1.00 0.00 H new ATOM 0 HG11 VAL A 58 22.292 7.289 3.045 1.00 0.00 H new ATOM 0 HG12 VAL A 58 21.591 8.175 1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 58 21.179 6.464 1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 58 23.960 5.580 2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 58 22.932 4.714 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 58 24.574 5.217 1.052 1.00 0.00 H new ATOM 913 N ALA A 59 22.543 8.960 -1.070 1.00 0.00 N ATOM 914 CA ALA A 59 21.822 10.169 -1.476 1.00 0.00 C ATOM 915 C ALA A 59 21.093 9.982 -2.803 1.00 0.00 C ATOM 916 O ALA A 59 20.031 10.549 -3.013 1.00 0.00 O ATOM 917 CB ALA A 59 22.760 11.352 -1.536 1.00 0.00 C ATOM 0 H ALA A 59 23.556 9.068 -1.024 1.00 0.00 H new ATOM 0 HA ALA A 59 21.062 10.366 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 59 22.206 12.240 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 59 23.201 11.517 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 59 23.551 11.153 -2.259 1.00 0.00 H new ATOM 923 N ALA A 60 21.622 9.126 -3.650 1.00 0.00 N ATOM 924 CA ALA A 60 21.046 8.904 -4.963 1.00 0.00 C ATOM 925 C ALA A 60 20.094 7.748 -4.919 1.00 0.00 C ATOM 926 O ALA A 60 19.310 7.541 -5.823 1.00 0.00 O ATOM 927 CB ALA A 60 22.141 8.638 -5.972 1.00 0.00 C ATOM 0 H ALA A 60 22.454 8.569 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 60 20.500 9.798 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 60 21.698 8.473 -6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.812 9.496 -6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 60 22.703 7.753 -5.674 1.00 0.00 H new ATOM 933 N LEU A 61 20.160 7.025 -3.854 1.00 0.00 N ATOM 934 CA LEU A 61 19.386 5.849 -3.687 1.00 0.00 C ATOM 935 C LEU A 61 18.122 6.179 -2.898 1.00 0.00 C ATOM 936 O LEU A 61 17.080 5.630 -3.135 1.00 0.00 O ATOM 937 CB LEU A 61 20.239 4.834 -2.944 1.00 0.00 C ATOM 938 CG LEU A 61 20.158 3.379 -3.395 1.00 0.00 C ATOM 939 CD1 LEU A 61 18.753 2.831 -3.259 1.00 0.00 C ATOM 940 CD2 LEU A 61 20.661 3.249 -4.827 1.00 0.00 C ATOM 0 H LEU A 61 20.765 7.241 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 61 19.083 5.439 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.279 5.151 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 61 19.967 4.875 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 61 20.798 2.784 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.734 1.793 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.440 2.886 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.072 3.420 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.600 2.207 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.047 3.863 -5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.697 3.584 -4.881 1.00 0.00 H new ATOM 952 N GLN A 62 18.225 7.113 -1.981 1.00 0.00 N ATOM 953 CA GLN A 62 17.085 7.483 -1.152 1.00 0.00 C ATOM 954 C GLN A 62 16.085 8.330 -1.922 1.00 0.00 C ATOM 955 O GLN A 62 14.959 8.515 -1.483 1.00 0.00 O ATOM 956 CB GLN A 62 17.538 8.227 0.101 1.00 0.00 C ATOM 957 CG GLN A 62 18.180 9.581 -0.158 1.00 0.00 C ATOM 958 CD GLN A 62 18.684 10.213 1.110 1.00 0.00 C ATOM 959 OE1 GLN A 62 19.907 9.935 1.451 1.00 0.00 O flip ATOM 960 NE2 GLN A 62 17.964 10.941 1.791 1.00 0.00 N flip ATOM 0 H GLN A 62 19.080 7.633 -1.785 1.00 0.00 H new ATOM 0 HA GLN A 62 16.592 6.557 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.677 8.368 0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.248 7.601 0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.007 9.463 -0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.454 10.243 -0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.009 11.137 1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.322 11.349 2.655 1.00 0.00 H new ATOM 969 N LYS A 63 16.502 8.841 -3.051 1.00 0.00 N ATOM 970 CA LYS A 63 15.647 9.701 -3.855 1.00 0.00 C ATOM 971 C LYS A 63 14.933 8.948 -4.985 1.00 0.00 C ATOM 972 O LYS A 63 14.252 9.576 -5.818 1.00 0.00 O ATOM 973 CB LYS A 63 16.457 10.851 -4.457 1.00 0.00 C ATOM 974 CG LYS A 63 17.592 10.404 -5.378 1.00 0.00 C ATOM 975 CD LYS A 63 18.240 11.581 -6.095 1.00 0.00 C ATOM 976 CE LYS A 63 18.798 12.610 -5.124 1.00 0.00 C ATOM 977 NZ LYS A 63 19.393 13.756 -5.827 1.00 0.00 N ATOM 0 H LYS A 63 17.430 8.681 -3.443 1.00 0.00 H new ATOM 0 HA LYS A 63 14.884 10.088 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 63 15.784 11.500 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 63 16.875 11.449 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.346 9.875 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.206 9.699 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.043 11.216 -6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.505 12.058 -6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 63 18.001 12.960 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.551 12.141 -4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.762 14.436 -5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 20.170 13.425 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.668 14.219 -6.412 1.00 0.00 H new ATOM 1098 N VAL A 71 12.965 2.747 -5.156 1.00 0.00 N ATOM 1099 CA VAL A 71 14.169 2.089 -4.780 1.00 0.00 C ATOM 1100 C VAL A 71 14.733 2.924 -3.664 1.00 0.00 C ATOM 1101 O VAL A 71 14.800 4.138 -3.793 1.00 0.00 O ATOM 1102 CB VAL A 71 15.173 2.003 -5.974 1.00 0.00 C ATOM 1103 CG1 VAL A 71 16.423 1.231 -5.595 1.00 0.00 C ATOM 1104 CG2 VAL A 71 14.516 1.396 -7.224 1.00 0.00 C ATOM 0 HA VAL A 71 13.986 1.059 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 71 15.469 3.024 -6.215 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.099 1.191 -6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.920 1.729 -4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.150 0.218 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.245 1.352 -8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.164 0.389 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.672 2.015 -7.529 1.00 0.00 H new ATOM 1114 N LYS A 72 15.068 2.318 -2.559 1.00 0.00 N ATOM 1115 CA LYS A 72 15.493 3.083 -1.409 1.00 0.00 C ATOM 1116 C LYS A 72 16.417 2.245 -0.546 1.00 0.00 C ATOM 1117 O LYS A 72 16.407 1.028 -0.619 1.00 0.00 O ATOM 1118 CB LYS A 72 14.232 3.528 -0.641 1.00 0.00 C ATOM 1119 CG LYS A 72 14.422 4.487 0.534 1.00 0.00 C ATOM 1120 CD LYS A 72 13.048 4.937 1.023 1.00 0.00 C ATOM 1121 CE LYS A 72 13.095 5.934 2.162 1.00 0.00 C ATOM 1122 NZ LYS A 72 13.637 7.247 1.757 1.00 0.00 N ATOM 0 H LYS A 72 15.057 1.307 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 72 16.054 3.968 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.554 3.999 -1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.733 2.634 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.968 3.995 1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.015 5.348 0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.504 5.380 0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.483 4.062 1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.090 6.069 2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.706 5.528 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.645 7.887 2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.607 7.127 1.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.041 7.652 1.007 1.00 0.00 H new ATOM 1135 N ILE A 73 17.208 2.890 0.259 1.00 0.00 N ATOM 1136 CA ILE A 73 18.165 2.209 1.102 1.00 0.00 C ATOM 1137 C ILE A 73 17.624 1.928 2.490 1.00 0.00 C ATOM 1138 O ILE A 73 16.718 2.615 2.968 1.00 0.00 O ATOM 1139 CB ILE A 73 19.530 2.952 1.202 1.00 0.00 C ATOM 1140 CG1 ILE A 73 19.392 4.496 1.150 1.00 0.00 C ATOM 1141 CG2 ILE A 73 20.489 2.461 0.144 1.00 0.00 C ATOM 1142 CD1 ILE A 73 18.549 5.123 2.247 1.00 0.00 C ATOM 0 H ILE A 73 17.213 3.905 0.355 1.00 0.00 H new ATOM 0 HA ILE A 73 18.343 1.255 0.606 1.00 0.00 H new ATOM 0 HB ILE A 73 19.937 2.714 2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 73 20.390 4.932 1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.963 4.771 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 73 21.435 2.995 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 73 20.661 1.393 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 73 20.064 2.640 -0.844 1.00 0.00 H new ATOM 0 HD11 ILE A 73 18.522 6.204 2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 73 17.535 4.726 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 73 18.984 4.890 3.219 1.00 0.00 H new ATOM 1154 N ILE A 74 18.136 0.884 3.098 1.00 0.00 N ATOM 1155 CA ILE A 74 17.751 0.516 4.455 1.00 0.00 C ATOM 1156 C ILE A 74 18.943 0.639 5.378 1.00 0.00 C ATOM 1157 O ILE A 74 18.805 0.893 6.578 1.00 0.00 O ATOM 1158 CB ILE A 74 17.263 -0.965 4.517 1.00 0.00 C ATOM 1159 CG1 ILE A 74 16.213 -1.241 3.449 1.00 0.00 C ATOM 1160 CG2 ILE A 74 16.705 -1.311 5.906 1.00 0.00 C ATOM 1161 CD1 ILE A 74 14.925 -0.474 3.620 1.00 0.00 C ATOM 0 H ILE A 74 18.827 0.264 2.676 1.00 0.00 H new ATOM 0 HA ILE A 74 16.947 1.185 4.761 1.00 0.00 H new ATOM 0 HB ILE A 74 18.128 -1.600 4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 74 16.635 -1.003 2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 74 15.988 -2.307 3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 74 16.373 -2.349 5.917 1.00 0.00 H new ATOM 0 HG22 ILE A 74 17.483 -1.171 6.656 1.00 0.00 H new ATOM 0 HG23 ILE A 74 15.862 -0.659 6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 74 14.237 -0.733 2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 74 14.474 -0.729 4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 74 15.132 0.596 3.590 1.00 0.00 H new ATOM 1173 N HIS A 75 20.116 0.485 4.824 1.00 0.00 N ATOM 1174 CA HIS A 75 21.279 0.349 5.631 1.00 0.00 C ATOM 1175 C HIS A 75 22.503 0.742 4.792 1.00 0.00 C ATOM 1176 O HIS A 75 22.584 0.392 3.608 1.00 0.00 O ATOM 1177 CB HIS A 75 21.287 -1.139 6.077 1.00 0.00 C ATOM 1178 CG HIS A 75 22.243 -1.576 7.163 1.00 0.00 C ATOM 1179 ND1 HIS A 75 22.739 -2.810 7.428 1.00 0.00 N flip ATOM 1180 CD2 HIS A 75 22.742 -0.752 8.149 1.00 0.00 C flip ATOM 1181 CE1 HIS A 75 23.516 -2.708 8.543 1.00 0.00 C flip ATOM 1182 NE2 HIS A 75 23.502 -1.460 8.962 1.00 0.00 N flip ATOM 0 H HIS A 75 20.282 0.452 3.818 1.00 0.00 H new ATOM 0 HA HIS A 75 21.295 0.993 6.510 1.00 0.00 H new ATOM 0 HB2 HIS A 75 20.279 -1.388 6.407 1.00 0.00 H new ATOM 0 HB3 HIS A 75 21.493 -1.745 5.195 1.00 0.00 H new ATOM 0 HD2 HIS A 75 22.542 0.305 8.241 1.00 0.00 H new ATOM 0 HE1 HIS A 75 24.056 -3.520 9.008 1.00 0.00 H new ATOM 0 HE2 HIS A 75 23.996 -1.101 9.779 1.00 0.00 H new ATOM 1190 N ALA A 76 23.398 1.513 5.377 1.00 0.00 N ATOM 1191 CA ALA A 76 24.620 1.980 4.719 1.00 0.00 C ATOM 1192 C ALA A 76 25.733 1.985 5.717 1.00 0.00 C ATOM 1193 O ALA A 76 25.567 2.516 6.827 1.00 0.00 O ATOM 1194 CB ALA A 76 24.420 3.382 4.198 1.00 0.00 C ATOM 0 H ALA A 76 23.303 1.842 6.338 1.00 0.00 H new ATOM 0 HA ALA A 76 24.860 1.318 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 76 25.333 3.723 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 76 23.600 3.390 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 76 24.182 4.048 5.027 1.00 0.00 H new ATOM 1200 N ALA A 77 26.847 1.384 5.370 1.00 0.00 N ATOM 1201 CA ALA A 77 27.974 1.312 6.274 1.00 0.00 C ATOM 1202 C ALA A 77 29.233 0.986 5.520 1.00 0.00 C ATOM 1203 O ALA A 77 29.182 0.447 4.413 1.00 0.00 O ATOM 1204 CB ALA A 77 27.729 0.249 7.333 1.00 0.00 C ATOM 0 H ALA A 77 26.999 0.936 4.466 1.00 0.00 H new ATOM 0 HA ALA A 77 28.089 2.283 6.756 1.00 0.00 H new ATOM 0 HB1 ALA A 77 28.584 0.204 8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 77 26.832 0.500 7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 77 27.595 -0.720 6.852 1.00 0.00 H new ATOM 1210 N VAL A 78 30.350 1.292 6.107 1.00 0.00 N ATOM 1211 CA VAL A 78 31.612 0.947 5.522 1.00 0.00 C ATOM 1212 C VAL A 78 32.078 -0.386 6.110 1.00 0.00 C ATOM 1213 O VAL A 78 32.468 -0.476 7.274 1.00 0.00 O ATOM 1214 CB VAL A 78 32.686 2.089 5.671 1.00 0.00 C ATOM 1215 CG1 VAL A 78 32.851 2.560 7.113 1.00 0.00 C ATOM 1216 CG2 VAL A 78 34.024 1.657 5.110 1.00 0.00 C ATOM 0 H VAL A 78 30.414 1.784 6.998 1.00 0.00 H new ATOM 0 HA VAL A 78 31.483 0.832 4.446 1.00 0.00 H new ATOM 0 HB VAL A 78 32.313 2.934 5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 78 33.604 3.347 7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 78 31.901 2.947 7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 78 33.167 1.723 7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 78 34.746 2.466 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 78 34.376 0.776 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 78 33.915 1.418 4.052 1.00 0.00 H new ATOM 1226 N GLY A 79 31.933 -1.422 5.332 1.00 0.00 N ATOM 1227 CA GLY A 79 32.271 -2.736 5.767 1.00 0.00 C ATOM 1228 C GLY A 79 32.100 -3.710 4.646 1.00 0.00 C ATOM 1229 O GLY A 79 31.634 -3.330 3.568 1.00 0.00 O ATOM 0 H GLY A 79 31.576 -1.372 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 79 33.301 -2.756 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 79 31.639 -3.023 6.607 1.00 0.00 H new ATOM 1233 N ALA A 80 32.455 -4.940 4.879 1.00 0.00 N ATOM 1234 CA ALA A 80 32.334 -5.983 3.885 1.00 0.00 C ATOM 1235 C ALA A 80 30.963 -6.654 4.003 1.00 0.00 C ATOM 1236 O ALA A 80 30.172 -6.277 4.869 1.00 0.00 O ATOM 1237 CB ALA A 80 33.464 -6.984 4.064 1.00 0.00 C ATOM 0 H ALA A 80 32.840 -5.257 5.769 1.00 0.00 H new ATOM 0 HA ALA A 80 32.412 -5.557 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 80 33.375 -7.771 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 80 34.422 -6.477 3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 80 33.407 -7.422 5.060 1.00 0.00 H new ATOM 1243 N ILE A 81 30.670 -7.616 3.149 1.00 0.00 N ATOM 1244 CA ILE A 81 29.382 -8.292 3.216 1.00 0.00 C ATOM 1245 C ILE A 81 29.442 -9.373 4.278 1.00 0.00 C ATOM 1246 O ILE A 81 30.110 -10.405 4.094 1.00 0.00 O ATOM 1247 CB ILE A 81 28.902 -8.930 1.855 1.00 0.00 C ATOM 1248 CG1 ILE A 81 28.612 -7.897 0.773 1.00 0.00 C ATOM 1249 CG2 ILE A 81 27.674 -9.784 2.051 1.00 0.00 C ATOM 1250 CD1 ILE A 81 29.804 -7.332 0.080 1.00 0.00 C ATOM 0 H ILE A 81 31.292 -7.945 2.411 1.00 0.00 H new ATOM 0 HA ILE A 81 28.651 -7.522 3.462 1.00 0.00 H new ATOM 0 HB ILE A 81 29.736 -9.545 1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 81 27.963 -8.354 0.026 1.00 0.00 H new ATOM 0 HG13 ILE A 81 28.053 -7.076 1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 81 27.370 -10.208 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 81 27.899 -10.589 2.750 1.00 0.00 H new ATOM 0 HG23 ILE A 81 26.865 -9.172 2.450 1.00 0.00 H new ATOM 0 HD11 ILE A 81 29.481 -6.609 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 81 30.448 -6.838 0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 81 30.357 -8.136 -0.407 1.00 0.00 H new ATOM 1262 N THR A 82 28.780 -9.148 5.370 1.00 0.00 N ATOM 1263 CA THR A 82 28.780 -10.107 6.419 1.00 0.00 C ATOM 1264 C THR A 82 27.492 -10.907 6.370 1.00 0.00 C ATOM 1265 O THR A 82 26.542 -10.547 5.647 1.00 0.00 O ATOM 1266 CB THR A 82 28.910 -9.440 7.818 1.00 0.00 C ATOM 1267 OG1 THR A 82 27.764 -8.619 8.086 1.00 0.00 O ATOM 1268 CG2 THR A 82 30.168 -8.590 7.904 1.00 0.00 C ATOM 0 H THR A 82 28.234 -8.307 5.554 1.00 0.00 H new ATOM 0 HA THR A 82 29.643 -10.757 6.273 1.00 0.00 H new ATOM 0 HB THR A 82 28.972 -10.235 8.561 1.00 0.00 H new ATOM 0 HG1 THR A 82 27.825 -7.792 7.564 1.00 0.00 H new ATOM 0 HG21 THR A 82 30.233 -8.136 8.893 1.00 0.00 H new ATOM 0 HG22 THR A 82 31.043 -9.217 7.734 1.00 0.00 H new ATOM 0 HG23 THR A 82 30.130 -7.807 7.147 1.00 0.00 H new ATOM 1276 N GLU A 83 27.452 -11.971 7.138 1.00 0.00 N ATOM 1277 CA GLU A 83 26.280 -12.819 7.285 1.00 0.00 C ATOM 1278 C GLU A 83 25.076 -11.987 7.814 1.00 0.00 C ATOM 1279 O GLU A 83 23.909 -12.259 7.496 1.00 0.00 O ATOM 1280 CB GLU A 83 26.649 -13.938 8.263 1.00 0.00 C ATOM 1281 CG GLU A 83 25.603 -14.994 8.478 1.00 0.00 C ATOM 1282 CD GLU A 83 26.083 -16.072 9.401 1.00 0.00 C ATOM 1283 OE1 GLU A 83 26.755 -16.997 8.938 1.00 0.00 O ATOM 1284 OE2 GLU A 83 25.816 -16.005 10.626 1.00 0.00 O ATOM 0 H GLU A 83 28.249 -12.283 7.693 1.00 0.00 H new ATOM 0 HA GLU A 83 25.981 -13.242 6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 83 27.558 -14.422 7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 83 26.886 -13.488 9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 83 24.704 -14.536 8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 83 25.327 -15.433 7.519 1.00 0.00 H new ATOM 1291 N SER A 84 25.399 -10.941 8.567 1.00 0.00 N ATOM 1292 CA SER A 84 24.425 -10.056 9.175 1.00 0.00 C ATOM 1293 C SER A 84 23.751 -9.178 8.103 1.00 0.00 C ATOM 1294 O SER A 84 22.539 -8.925 8.154 1.00 0.00 O ATOM 1295 CB SER A 84 25.144 -9.181 10.231 1.00 0.00 C ATOM 1296 OG SER A 84 24.255 -8.330 10.953 1.00 0.00 O ATOM 0 H SER A 84 26.364 -10.684 8.773 1.00 0.00 H new ATOM 0 HA SER A 84 23.644 -10.642 9.659 1.00 0.00 H new ATOM 0 HB2 SER A 84 25.669 -9.828 10.934 1.00 0.00 H new ATOM 0 HB3 SER A 84 25.899 -8.571 9.735 1.00 0.00 H new ATOM 0 HG SER A 84 24.763 -7.804 11.605 1.00 0.00 H new ATOM 1302 N ASP A 85 24.528 -8.756 7.116 1.00 0.00 N ATOM 1303 CA ASP A 85 24.030 -7.867 6.056 1.00 0.00 C ATOM 1304 C ASP A 85 23.089 -8.614 5.150 1.00 0.00 C ATOM 1305 O ASP A 85 22.095 -8.074 4.665 1.00 0.00 O ATOM 1306 CB ASP A 85 25.174 -7.314 5.193 1.00 0.00 C ATOM 1307 CG ASP A 85 26.186 -6.517 5.957 1.00 0.00 C ATOM 1308 OD1 ASP A 85 25.903 -5.383 6.380 1.00 0.00 O ATOM 1309 OD2 ASP A 85 27.308 -7.005 6.143 1.00 0.00 O ATOM 0 H ASP A 85 25.511 -9.012 7.020 1.00 0.00 H new ATOM 0 HA ASP A 85 23.519 -7.041 6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 85 25.678 -8.146 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 85 24.752 -6.688 4.407 1.00 0.00 H new ATOM 1314 N ILE A 86 23.399 -9.858 4.933 1.00 0.00 N ATOM 1315 CA ILE A 86 22.630 -10.699 4.051 1.00 0.00 C ATOM 1316 C ILE A 86 21.249 -11.026 4.615 1.00 0.00 C ATOM 1317 O ILE A 86 20.260 -11.099 3.870 1.00 0.00 O ATOM 1318 CB ILE A 86 23.421 -11.942 3.707 1.00 0.00 C ATOM 1319 CG1 ILE A 86 24.694 -11.495 3.011 1.00 0.00 C ATOM 1320 CG2 ILE A 86 22.624 -12.870 2.825 1.00 0.00 C ATOM 1321 CD1 ILE A 86 25.555 -12.609 2.564 1.00 0.00 C ATOM 0 H ILE A 86 24.197 -10.325 5.364 1.00 0.00 H new ATOM 0 HA ILE A 86 22.444 -10.147 3.130 1.00 0.00 H new ATOM 0 HB ILE A 86 23.657 -12.498 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 86 24.429 -10.885 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 86 25.263 -10.859 3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 86 23.219 -13.754 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 86 21.713 -13.171 3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 86 22.363 -12.357 1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 86 26.444 -12.209 2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 86 25.852 -13.208 3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 86 25.005 -13.234 1.860 1.00 0.00 H new ATOM 1333 N SER A 87 21.164 -11.168 5.911 1.00 0.00 N ATOM 1334 CA SER A 87 19.879 -11.354 6.545 1.00 0.00 C ATOM 1335 C SER A 87 18.960 -10.123 6.372 1.00 0.00 C ATOM 1336 O SER A 87 17.743 -10.232 6.489 1.00 0.00 O ATOM 1337 CB SER A 87 20.067 -11.751 7.990 1.00 0.00 C ATOM 1338 OG SER A 87 20.765 -12.979 8.030 1.00 0.00 O ATOM 0 H SER A 87 21.961 -11.159 6.548 1.00 0.00 H new ATOM 0 HA SER A 87 19.361 -12.172 6.044 1.00 0.00 H new ATOM 0 HB2 SER A 87 20.623 -10.981 8.525 1.00 0.00 H new ATOM 0 HB3 SER A 87 19.101 -11.848 8.485 1.00 0.00 H new ATOM 0 HG SER A 87 20.464 -13.550 7.293 1.00 0.00 H new ATOM 1344 N LEU A 88 19.551 -8.971 6.056 1.00 0.00 N ATOM 1345 CA LEU A 88 18.788 -7.784 5.738 1.00 0.00 C ATOM 1346 C LEU A 88 18.310 -7.887 4.297 1.00 0.00 C ATOM 1347 O LEU A 88 17.187 -7.478 3.960 1.00 0.00 O ATOM 1348 CB LEU A 88 19.659 -6.508 5.965 1.00 0.00 C ATOM 1349 CG LEU A 88 19.074 -5.117 5.561 1.00 0.00 C ATOM 1350 CD1 LEU A 88 19.183 -4.857 4.059 1.00 0.00 C ATOM 1351 CD2 LEU A 88 17.626 -5.025 5.969 1.00 0.00 C ATOM 0 H LEU A 88 20.562 -8.844 6.016 1.00 0.00 H new ATOM 0 HA LEU A 88 17.920 -7.704 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.912 -6.465 7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 88 20.593 -6.644 5.420 1.00 0.00 H new ATOM 0 HG LEU A 88 19.664 -4.362 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.763 -3.878 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 88 20.231 -4.882 3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.633 -5.625 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 88 17.228 -4.051 5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 88 17.057 -5.810 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 88 17.544 -5.147 7.049 1.00 0.00 H new ATOM 1363 N ALA A 89 19.145 -8.457 3.472 1.00 0.00 N ATOM 1364 CA ALA A 89 18.876 -8.594 2.065 1.00 0.00 C ATOM 1365 C ALA A 89 17.576 -9.370 1.819 1.00 0.00 C ATOM 1366 O ALA A 89 16.668 -8.862 1.190 1.00 0.00 O ATOM 1367 CB ALA A 89 20.068 -9.218 1.362 1.00 0.00 C ATOM 0 H ALA A 89 20.043 -8.845 3.761 1.00 0.00 H new ATOM 0 HA ALA A 89 18.726 -7.603 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 89 19.852 -9.316 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 89 20.944 -8.583 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 89 20.265 -10.203 1.785 1.00 0.00 H new ATOM 1373 N THR A 90 17.450 -10.552 2.376 1.00 0.00 N ATOM 1374 CA THR A 90 16.216 -11.317 2.190 1.00 0.00 C ATOM 1375 C THR A 90 15.055 -10.721 3.050 1.00 0.00 C ATOM 1376 O THR A 90 13.881 -11.021 2.831 1.00 0.00 O ATOM 1377 CB THR A 90 16.421 -12.841 2.494 1.00 0.00 C ATOM 1378 OG1 THR A 90 15.203 -13.577 2.268 1.00 0.00 O ATOM 1379 CG2 THR A 90 16.918 -13.065 3.912 1.00 0.00 C ATOM 0 H THR A 90 18.161 -11.005 2.950 1.00 0.00 H new ATOM 0 HA THR A 90 15.937 -11.235 1.139 1.00 0.00 H new ATOM 0 HB THR A 90 17.184 -13.210 1.809 1.00 0.00 H new ATOM 0 HG1 THR A 90 14.433 -12.993 2.429 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.049 -14.133 4.087 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.872 -12.555 4.048 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.190 -12.668 4.620 1.00 0.00 H new ATOM 1387 N ALA A 91 15.403 -9.830 3.985 1.00 0.00 N ATOM 1388 CA ALA A 91 14.427 -9.218 4.875 1.00 0.00 C ATOM 1389 C ALA A 91 13.646 -8.115 4.183 1.00 0.00 C ATOM 1390 O ALA A 91 12.420 -8.174 4.083 1.00 0.00 O ATOM 1391 CB ALA A 91 15.100 -8.673 6.118 1.00 0.00 C ATOM 0 H ALA A 91 16.362 -9.519 4.140 1.00 0.00 H new ATOM 0 HA ALA A 91 13.723 -9.999 5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.351 -8.220 6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.598 -9.485 6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.836 -7.921 5.833 1.00 0.00 H new ATOM 1397 N SER A 92 14.350 -7.120 3.697 1.00 0.00 N ATOM 1398 CA SER A 92 13.709 -5.979 3.065 1.00 0.00 C ATOM 1399 C SER A 92 13.707 -6.112 1.544 1.00 0.00 C ATOM 1400 O SER A 92 13.304 -5.185 0.833 1.00 0.00 O ATOM 1401 CB SER A 92 14.413 -4.702 3.500 1.00 0.00 C ATOM 1402 OG SER A 92 14.426 -4.611 4.916 1.00 0.00 O ATOM 0 H SER A 92 15.369 -7.073 3.725 1.00 0.00 H new ATOM 0 HA SER A 92 12.667 -5.941 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.434 -4.692 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.905 -3.835 3.077 1.00 0.00 H new ATOM 0 HG SER A 92 14.882 -3.787 5.187 1.00 0.00 H new ATOM 1408 N ASN A 93 14.179 -7.266 1.065 1.00 0.00 N ATOM 1409 CA ASN A 93 14.229 -7.591 -0.381 1.00 0.00 C ATOM 1410 C ASN A 93 15.310 -6.786 -1.054 1.00 0.00 C ATOM 1411 O ASN A 93 15.237 -6.452 -2.242 1.00 0.00 O ATOM 1412 CB ASN A 93 12.850 -7.429 -1.093 1.00 0.00 C ATOM 1413 CG ASN A 93 11.816 -8.474 -0.665 1.00 0.00 C ATOM 1414 OD1 ASN A 93 12.264 -9.671 -0.371 1.00 0.00 O flip ATOM 1415 ND2 ASN A 93 10.611 -8.204 -0.629 1.00 0.00 N flip ATOM 0 H ASN A 93 14.540 -8.009 1.663 1.00 0.00 H new ATOM 0 HA ASN A 93 14.476 -8.649 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.457 -6.434 -0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.997 -7.495 -2.171 1.00 0.00 H new ATOM 0 HD21 ASN A 93 10.292 -7.264 -0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 93 9.935 -8.921 -0.365 1.00 0.00 H new ATOM 1422 N ALA A 94 16.349 -6.548 -0.291 1.00 0.00 N ATOM 1423 CA ALA A 94 17.491 -5.826 -0.740 1.00 0.00 C ATOM 1424 C ALA A 94 18.556 -6.802 -1.233 1.00 0.00 C ATOM 1425 O ALA A 94 18.422 -8.013 -1.069 1.00 0.00 O ATOM 1426 CB ALA A 94 18.038 -4.991 0.419 1.00 0.00 C ATOM 0 H ALA A 94 16.415 -6.862 0.677 1.00 0.00 H new ATOM 0 HA ALA A 94 17.213 -5.167 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 94 18.913 -4.434 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.272 -4.294 0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.319 -5.649 1.241 1.00 0.00 H new ATOM 1432 N ILE A 95 19.578 -6.282 -1.855 1.00 0.00 N ATOM 1433 CA ILE A 95 20.731 -7.063 -2.253 1.00 0.00 C ATOM 1434 C ILE A 95 21.949 -6.308 -1.782 1.00 0.00 C ATOM 1435 O ILE A 95 21.912 -5.067 -1.709 1.00 0.00 O ATOM 1436 CB ILE A 95 20.817 -7.334 -3.794 1.00 0.00 C ATOM 1437 CG1 ILE A 95 20.858 -6.025 -4.602 1.00 0.00 C ATOM 1438 CG2 ILE A 95 19.667 -8.231 -4.252 1.00 0.00 C ATOM 1439 CD1 ILE A 95 21.025 -6.215 -6.100 1.00 0.00 C ATOM 0 H ILE A 95 19.641 -5.295 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 95 20.655 -8.052 -1.801 1.00 0.00 H new ATOM 0 HB ILE A 95 21.754 -7.858 -3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 95 19.937 -5.471 -4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 95 21.679 -5.410 -4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 95 19.747 -8.406 -5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.716 -9.184 -3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 95 18.717 -7.744 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 95 21.044 -5.242 -6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 95 21.960 -6.739 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE A 95 20.191 -6.801 -6.488 1.00 0.00 H new ATOM 1451 N VAL A 96 23.000 -7.009 -1.433 1.00 0.00 N ATOM 1452 CA VAL A 96 24.157 -6.347 -0.872 1.00 0.00 C ATOM 1453 C VAL A 96 25.219 -6.184 -1.928 1.00 0.00 C ATOM 1454 O VAL A 96 25.601 -7.152 -2.600 1.00 0.00 O ATOM 1455 CB VAL A 96 24.770 -7.101 0.343 1.00 0.00 C ATOM 1456 CG1 VAL A 96 25.691 -6.182 1.136 1.00 0.00 C ATOM 1457 CG2 VAL A 96 23.704 -7.724 1.239 1.00 0.00 C ATOM 0 H VAL A 96 23.081 -8.022 -1.524 1.00 0.00 H new ATOM 0 HA VAL A 96 23.810 -5.378 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 96 25.363 -7.925 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 96 26.110 -6.728 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 96 26.499 -5.834 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 96 25.124 -5.326 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 96 24.184 -8.238 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 96 23.050 -6.942 1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.116 -8.438 0.662 1.00 0.00 H new ATOM 1467 N ILE A 97 25.670 -4.977 -2.089 1.00 0.00 N ATOM 1468 CA ILE A 97 26.706 -4.666 -3.026 1.00 0.00 C ATOM 1469 C ILE A 97 27.942 -4.258 -2.239 1.00 0.00 C ATOM 1470 O ILE A 97 27.832 -3.529 -1.253 1.00 0.00 O ATOM 1471 CB ILE A 97 26.276 -3.518 -3.995 1.00 0.00 C ATOM 1472 CG1 ILE A 97 24.974 -3.901 -4.729 1.00 0.00 C ATOM 1473 CG2 ILE A 97 27.389 -3.211 -5.008 1.00 0.00 C ATOM 1474 CD1 ILE A 97 24.417 -2.817 -5.634 1.00 0.00 C ATOM 0 H ILE A 97 25.325 -4.171 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 97 26.914 -5.541 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 97 26.097 -2.620 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 97 25.158 -4.795 -5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 97 24.218 -4.162 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 97 27.066 -2.409 -5.671 1.00 0.00 H new ATOM 0 HG22 ILE A 97 28.289 -2.902 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 97 27.603 -4.104 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 97 23.503 -3.173 -6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 97 24.197 -1.928 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 97 25.151 -2.571 -6.401 1.00 0.00 H new ATOM 1486 N GLY A 98 29.088 -4.762 -2.640 1.00 0.00 N ATOM 1487 CA GLY A 98 30.310 -4.446 -1.960 1.00 0.00 C ATOM 1488 C GLY A 98 31.395 -4.064 -2.918 1.00 0.00 C ATOM 1489 O GLY A 98 31.572 -4.692 -3.972 1.00 0.00 O ATOM 0 H GLY A 98 29.192 -5.392 -3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 98 30.136 -3.627 -1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 98 30.631 -5.305 -1.371 1.00 0.00 H new ATOM 1493 N PHE A 99 32.156 -3.089 -2.555 1.00 0.00 N ATOM 1494 CA PHE A 99 33.184 -2.591 -3.431 1.00 0.00 C ATOM 1495 C PHE A 99 34.537 -3.010 -2.923 1.00 0.00 C ATOM 1496 O PHE A 99 35.020 -2.470 -1.933 1.00 0.00 O ATOM 1497 CB PHE A 99 33.090 -1.069 -3.586 1.00 0.00 C ATOM 1498 CG PHE A 99 31.819 -0.601 -4.256 1.00 0.00 C ATOM 1499 CD1 PHE A 99 31.750 -0.504 -5.638 1.00 0.00 C ATOM 1500 CD2 PHE A 99 30.700 -0.263 -3.511 1.00 0.00 C ATOM 1501 CE1 PHE A 99 30.592 -0.073 -6.261 1.00 0.00 C ATOM 1502 CE2 PHE A 99 29.542 0.167 -4.125 1.00 0.00 C ATOM 1503 CZ PHE A 99 29.486 0.260 -5.505 1.00 0.00 C ATOM 0 H PHE A 99 32.093 -2.613 -1.655 1.00 0.00 H new ATOM 0 HA PHE A 99 33.039 -3.023 -4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 99 33.161 -0.608 -2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 99 33.945 -0.719 -4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 99 32.610 -0.768 -6.235 1.00 0.00 H new ATOM 0 HD2 PHE A 99 30.735 -0.337 -2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 99 30.554 0.003 -7.338 1.00 0.00 H new ATOM 0 HE2 PHE A 99 28.680 0.431 -3.530 1.00 0.00 H new ATOM 0 HZ PHE A 99 28.579 0.592 -5.989 1.00 0.00 H new ATOM 1513 N ASN A 100 35.081 -4.073 -3.541 1.00 0.00 N ATOM 1514 CA ASN A 100 36.416 -4.664 -3.228 1.00 0.00 C ATOM 1515 C ASN A 100 36.406 -5.432 -1.894 1.00 0.00 C ATOM 1516 O ASN A 100 37.034 -6.469 -1.771 1.00 0.00 O ATOM 1517 CB ASN A 100 37.548 -3.606 -3.267 1.00 0.00 C ATOM 1518 CG ASN A 100 38.943 -4.197 -3.065 1.00 0.00 C ATOM 1519 OD1 ASN A 100 39.216 -5.345 -3.428 1.00 0.00 O ATOM 1520 ND2 ASN A 100 39.834 -3.416 -2.510 1.00 0.00 N ATOM 0 H ASN A 100 34.600 -4.566 -4.294 1.00 0.00 H new ATOM 0 HA ASN A 100 36.628 -5.387 -4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 100 37.517 -3.088 -4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 100 37.363 -2.859 -2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 100 40.787 -3.751 -2.366 1.00 0.00 H new ATOM 0 HD22 ASN A 100 39.576 -2.472 -2.221 1.00 0.00 H new ATOM 1527 N VAL A 101 35.654 -4.916 -0.933 1.00 0.00 N ATOM 1528 CA VAL A 101 35.467 -5.514 0.392 1.00 0.00 C ATOM 1529 C VAL A 101 35.068 -6.988 0.322 1.00 0.00 C ATOM 1530 O VAL A 101 35.686 -7.831 0.980 1.00 0.00 O ATOM 1531 CB VAL A 101 34.447 -4.719 1.259 1.00 0.00 C ATOM 1532 CG1 VAL A 101 35.075 -3.469 1.815 1.00 0.00 C ATOM 1533 CG2 VAL A 101 33.194 -4.350 0.467 1.00 0.00 C ATOM 0 H VAL A 101 35.139 -4.043 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 101 36.441 -5.458 0.878 1.00 0.00 H new ATOM 0 HB VAL A 101 34.154 -5.372 2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 101 34.343 -2.931 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 101 35.930 -3.737 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 101 35.408 -2.833 0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 101 32.508 -3.796 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 101 33.472 -3.732 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 101 32.707 -5.258 0.113 1.00 0.00 H new ATOM 1543 N ARG A 102 34.034 -7.283 -0.488 1.00 0.00 N ATOM 1544 CA ARG A 102 33.575 -8.653 -0.739 1.00 0.00 C ATOM 1545 C ARG A 102 32.946 -9.289 0.538 1.00 0.00 C ATOM 1546 O ARG A 102 32.844 -8.615 1.554 1.00 0.00 O ATOM 1547 CB ARG A 102 34.738 -9.446 -1.374 1.00 0.00 C ATOM 1548 CG ARG A 102 35.121 -8.857 -2.725 1.00 0.00 C ATOM 1549 CD ARG A 102 36.454 -9.345 -3.226 1.00 0.00 C ATOM 1550 NE ARG A 102 36.495 -10.802 -3.399 1.00 0.00 N ATOM 1551 CZ ARG A 102 37.588 -11.502 -3.721 1.00 0.00 C ATOM 1552 NH1 ARG A 102 38.759 -10.896 -3.866 1.00 0.00 N ATOM 1553 NH2 ARG A 102 37.509 -12.810 -3.882 1.00 0.00 N ATOM 0 H ARG A 102 33.496 -6.574 -0.985 1.00 0.00 H new ATOM 0 HA ARG A 102 32.754 -8.669 -1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 102 35.601 -9.431 -0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 102 34.448 -10.490 -1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 102 34.351 -9.108 -3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 102 35.145 -7.770 -2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 102 36.678 -8.864 -4.178 1.00 0.00 H new ATOM 0 HD3 ARG A 102 37.233 -9.044 -2.526 1.00 0.00 H new ATOM 0 HE ARG A 102 35.626 -11.319 -3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 102 38.831 -9.887 -3.732 1.00 0.00 H new ATOM 0 HH12 ARG A 102 39.587 -11.439 -4.112 1.00 0.00 H new ATOM 0 HH21 ARG A 102 36.615 -13.286 -3.761 1.00 0.00 H new ATOM 0 HH22 ARG A 102 38.342 -13.345 -4.128 1.00 0.00 H new ATOM 1566 N PRO A 103 32.413 -10.526 0.498 1.00 0.00 N ATOM 1567 CA PRO A 103 31.777 -11.118 1.661 1.00 0.00 C ATOM 1568 C PRO A 103 32.686 -11.991 2.475 1.00 0.00 C ATOM 1569 O PRO A 103 33.844 -12.255 2.115 1.00 0.00 O ATOM 1570 CB PRO A 103 30.693 -12.020 1.048 1.00 0.00 C ATOM 1571 CG PRO A 103 30.942 -12.006 -0.433 1.00 0.00 C ATOM 1572 CD PRO A 103 32.311 -11.438 -0.633 1.00 0.00 C ATOM 0 HA PRO A 103 31.429 -10.336 2.336 1.00 0.00 H new ATOM 0 HB2 PRO A 103 30.755 -13.033 1.446 1.00 0.00 H new ATOM 0 HB3 PRO A 103 29.696 -11.647 1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 103 30.876 -13.013 -0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 103 30.194 -11.402 -0.946 1.00 0.00 H new ATOM 0 HD2 PRO A 103 33.082 -12.208 -0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 103 32.405 -10.920 -1.588 1.00 0.00 H new ATOM 1580 N ASP A 104 32.159 -12.413 3.581 1.00 0.00 N ATOM 1581 CA ASP A 104 32.762 -13.439 4.366 1.00 0.00 C ATOM 1582 C ASP A 104 32.461 -14.763 3.688 1.00 0.00 C ATOM 1583 O ASP A 104 31.511 -14.860 2.888 1.00 0.00 O ATOM 1584 CB ASP A 104 32.199 -13.469 5.779 1.00 0.00 C ATOM 1585 CG ASP A 104 32.601 -12.303 6.643 1.00 0.00 C ATOM 1586 OD1 ASP A 104 33.701 -12.318 7.202 1.00 0.00 O ATOM 1587 OD2 ASP A 104 31.798 -11.389 6.840 1.00 0.00 O ATOM 0 H ASP A 104 31.288 -12.049 3.967 1.00 0.00 H new ATOM 0 HA ASP A 104 33.833 -13.253 4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 104 31.111 -13.502 5.721 1.00 0.00 H new ATOM 0 HB3 ASP A 104 32.521 -14.391 6.264 1.00 0.00 H new ATOM 1592 N ALA A 105 33.216 -15.768 4.008 1.00 0.00 N ATOM 1593 CA ALA A 105 33.085 -17.069 3.375 1.00 0.00 C ATOM 1594 C ALA A 105 31.769 -17.752 3.725 1.00 0.00 C ATOM 1595 O ALA A 105 31.237 -18.508 2.933 1.00 0.00 O ATOM 1596 CB ALA A 105 34.262 -17.953 3.726 1.00 0.00 C ATOM 0 H ALA A 105 33.947 -15.722 4.717 1.00 0.00 H new ATOM 0 HA ALA A 105 33.080 -16.905 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 105 34.146 -18.923 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 105 35.184 -17.485 3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 105 34.305 -18.089 4.807 1.00 0.00 H new ATOM 1602 N ASN A 106 31.241 -17.476 4.890 1.00 0.00 N ATOM 1603 CA ASN A 106 29.975 -18.081 5.273 1.00 0.00 C ATOM 1604 C ASN A 106 28.859 -17.214 4.746 1.00 0.00 C ATOM 1605 O ASN A 106 27.834 -17.718 4.330 1.00 0.00 O ATOM 1606 CB ASN A 106 29.836 -18.264 6.793 1.00 0.00 C ATOM 1607 CG ASN A 106 31.072 -18.871 7.457 1.00 0.00 C ATOM 1608 OD1 ASN A 106 31.233 -20.085 7.533 1.00 0.00 O ATOM 1609 ND2 ASN A 106 31.935 -18.030 7.973 1.00 0.00 N ATOM 0 H ASN A 106 31.652 -16.850 5.583 1.00 0.00 H new ATOM 0 HA ASN A 106 29.929 -19.081 4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 106 29.629 -17.296 7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 106 28.976 -18.902 6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 106 32.765 -18.380 8.452 1.00 0.00 H new ATOM 0 HD22 ASN A 106 31.777 -17.025 7.896 1.00 0.00 H new ATOM 1616 N ALA A 107 29.078 -15.894 4.748 1.00 0.00 N ATOM 1617 CA ALA A 107 28.128 -14.944 4.183 1.00 0.00 C ATOM 1618 C ALA A 107 27.780 -15.295 2.737 1.00 0.00 C ATOM 1619 O ALA A 107 26.620 -15.412 2.394 1.00 0.00 O ATOM 1620 CB ALA A 107 28.674 -13.527 4.258 1.00 0.00 C ATOM 0 H ALA A 107 29.915 -15.462 5.140 1.00 0.00 H new ATOM 0 HA ALA A 107 27.216 -15.003 4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 107 27.949 -12.835 3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 107 28.858 -13.263 5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 107 29.607 -13.466 3.698 1.00 0.00 H new ATOM 1626 N LYS A 108 28.796 -15.510 1.915 1.00 0.00 N ATOM 1627 CA LYS A 108 28.611 -15.831 0.482 1.00 0.00 C ATOM 1628 C LYS A 108 27.721 -17.101 0.274 1.00 0.00 C ATOM 1629 O LYS A 108 27.097 -17.267 -0.770 1.00 0.00 O ATOM 1630 CB LYS A 108 29.987 -16.028 -0.185 1.00 0.00 C ATOM 1631 CG LYS A 108 30.658 -17.350 0.132 1.00 0.00 C ATOM 1632 CD LYS A 108 31.992 -17.477 -0.563 1.00 0.00 C ATOM 1633 CE LYS A 108 32.644 -18.811 -0.253 1.00 0.00 C ATOM 1634 NZ LYS A 108 33.981 -18.915 -0.855 1.00 0.00 N ATOM 0 H LYS A 108 29.773 -15.470 2.207 1.00 0.00 H new ATOM 0 HA LYS A 108 28.091 -14.994 0.016 1.00 0.00 H new ATOM 0 HB2 LYS A 108 29.868 -15.946 -1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 108 30.646 -15.217 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 108 30.799 -17.438 1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 108 30.009 -18.171 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 108 31.856 -17.377 -1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 108 32.648 -16.666 -0.248 1.00 0.00 H new ATOM 0 HE2 LYS A 108 32.720 -18.937 0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 108 32.014 -19.619 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 34.396 -19.840 -0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 33.905 -18.820 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 34.590 -18.159 -0.482 1.00 0.00 H new ATOM 1647 N ARG A 109 27.687 -17.967 1.273 1.00 0.00 N ATOM 1648 CA ARG A 109 26.956 -19.145 1.285 1.00 0.00 C ATOM 1649 C ARG A 109 25.551 -18.847 1.770 1.00 0.00 C ATOM 1650 O ARG A 109 24.552 -19.277 1.176 1.00 0.00 O ATOM 1651 CB ARG A 109 27.632 -20.003 2.302 1.00 0.00 C ATOM 1652 CG ARG A 109 28.987 -20.564 1.951 1.00 0.00 C ATOM 1653 CD ARG A 109 29.326 -21.767 2.815 1.00 0.00 C ATOM 1654 NE ARG A 109 29.018 -21.549 4.239 1.00 0.00 N ATOM 1655 CZ ARG A 109 29.734 -22.005 5.267 1.00 0.00 C ATOM 1656 NH1 ARG A 109 30.970 -22.467 5.080 1.00 0.00 N ATOM 1657 NH2 ARG A 109 29.229 -21.943 6.493 1.00 0.00 N ATOM 0 H ARG A 109 28.215 -17.823 2.134 1.00 0.00 H new ATOM 0 HA ARG A 109 26.903 -19.612 0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 109 27.736 -19.421 3.217 1.00 0.00 H new ATOM 0 HB3 ARG A 109 26.971 -20.839 2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 109 29.003 -20.852 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 109 29.747 -19.794 2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 109 28.772 -22.634 2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 109 30.386 -21.999 2.708 1.00 0.00 H new ATOM 0 HE ARG A 109 28.185 -21.002 4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 109 31.376 -22.474 4.144 1.00 0.00 H new ATOM 0 HH12 ARG A 109 31.510 -22.814 5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 109 28.300 -21.549 6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 109 29.770 -22.290 7.285 1.00 0.00 H new ATOM 1670 N ALA A 110 25.503 -18.089 2.861 1.00 0.00 N ATOM 1671 CA ALA A 110 24.284 -17.665 3.508 1.00 0.00 C ATOM 1672 C ALA A 110 23.383 -16.982 2.528 1.00 0.00 C ATOM 1673 O ALA A 110 22.223 -17.289 2.479 1.00 0.00 O ATOM 1674 CB ALA A 110 24.605 -16.743 4.666 1.00 0.00 C ATOM 0 H ALA A 110 26.343 -17.746 3.327 1.00 0.00 H new ATOM 0 HA ALA A 110 23.767 -18.544 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 110 23.679 -16.428 5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 110 25.229 -17.269 5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 110 25.138 -15.867 4.297 1.00 0.00 H new ATOM 1680 N ALA A 111 23.979 -16.128 1.682 1.00 0.00 N ATOM 1681 CA ALA A 111 23.271 -15.370 0.631 1.00 0.00 C ATOM 1682 C ALA A 111 22.377 -16.263 -0.181 1.00 0.00 C ATOM 1683 O ALA A 111 21.202 -15.966 -0.410 1.00 0.00 O ATOM 1684 CB ALA A 111 24.274 -14.704 -0.305 1.00 0.00 C ATOM 0 H ALA A 111 24.981 -15.940 1.707 1.00 0.00 H new ATOM 0 HA ALA A 111 22.662 -14.615 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 111 23.739 -14.148 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 111 24.904 -14.021 0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 111 24.896 -15.466 -0.774 1.00 0.00 H new ATOM 1690 N GLU A 112 22.908 -17.380 -0.539 1.00 0.00 N ATOM 1691 CA GLU A 112 22.228 -18.302 -1.395 1.00 0.00 C ATOM 1692 C GLU A 112 21.185 -19.093 -0.664 1.00 0.00 C ATOM 1693 O GLU A 112 20.122 -19.393 -1.201 1.00 0.00 O ATOM 1694 CB GLU A 112 23.222 -19.178 -2.110 1.00 0.00 C ATOM 1695 CG GLU A 112 23.796 -18.570 -3.365 1.00 0.00 C ATOM 1696 CD GLU A 112 22.806 -18.599 -4.496 1.00 0.00 C ATOM 1697 OE1 GLU A 112 21.937 -17.738 -4.565 1.00 0.00 O ATOM 1698 OE2 GLU A 112 22.874 -19.531 -5.340 1.00 0.00 O ATOM 0 H GLU A 112 23.835 -17.687 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 112 21.686 -17.730 -2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 112 24.039 -19.412 -1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 112 22.739 -20.121 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 112 24.094 -17.540 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 112 24.696 -19.113 -3.654 1.00 0.00 H new ATOM 1705 N SER A 113 21.441 -19.362 0.564 1.00 0.00 N ATOM 1706 CA SER A 113 20.495 -20.053 1.385 1.00 0.00 C ATOM 1707 C SER A 113 19.484 -19.030 1.927 1.00 0.00 C ATOM 1708 O SER A 113 18.599 -19.358 2.717 1.00 0.00 O ATOM 1709 CB SER A 113 21.250 -20.790 2.504 1.00 0.00 C ATOM 1710 OG SER A 113 20.378 -21.497 3.379 1.00 0.00 O ATOM 0 H SER A 113 22.310 -19.113 1.036 1.00 0.00 H new ATOM 0 HA SER A 113 19.942 -20.802 0.818 1.00 0.00 H new ATOM 0 HB2 SER A 113 21.958 -21.489 2.060 1.00 0.00 H new ATOM 0 HB3 SER A 113 21.831 -20.070 3.080 1.00 0.00 H new ATOM 0 HG SER A 113 19.534 -21.006 3.467 1.00 0.00 H new ATOM 1716 N GLU A 114 19.629 -17.808 1.462 1.00 0.00 N ATOM 1717 CA GLU A 114 18.822 -16.707 1.836 1.00 0.00 C ATOM 1718 C GLU A 114 18.171 -16.064 0.693 1.00 0.00 C ATOM 1719 O GLU A 114 17.647 -14.967 0.835 1.00 0.00 O ATOM 1720 CB GLU A 114 19.623 -15.706 2.567 1.00 0.00 C ATOM 1721 CG GLU A 114 19.665 -16.019 4.018 1.00 0.00 C ATOM 1722 CD GLU A 114 20.382 -15.037 4.906 1.00 0.00 C ATOM 1723 OE1 GLU A 114 21.600 -14.992 4.874 1.00 0.00 O ATOM 1724 OE2 GLU A 114 19.714 -14.383 5.752 1.00 0.00 O ATOM 0 H GLU A 114 20.350 -17.562 0.784 1.00 0.00 H new ATOM 0 HA GLU A 114 18.038 -17.105 2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 114 20.636 -15.682 2.166 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.198 -14.714 2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.639 -16.113 4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 114 20.136 -16.994 4.141 1.00 0.00 H new ATOM 1731 N LYS A 115 18.215 -16.723 -0.457 1.00 0.00 N ATOM 1732 CA LYS A 115 17.522 -16.285 -1.615 1.00 0.00 C ATOM 1733 C LYS A 115 18.039 -14.960 -2.199 1.00 0.00 C ATOM 1734 O LYS A 115 17.452 -14.431 -3.152 1.00 0.00 O ATOM 1735 CB LYS A 115 16.071 -16.178 -1.237 1.00 0.00 C ATOM 1736 CG LYS A 115 15.334 -17.496 -1.158 1.00 0.00 C ATOM 1737 CD LYS A 115 13.922 -17.327 -0.586 1.00 0.00 C ATOM 1738 CE LYS A 115 13.034 -16.411 -1.434 1.00 0.00 C ATOM 1739 NZ LYS A 115 12.826 -16.923 -2.804 1.00 0.00 N ATOM 0 H LYS A 115 18.745 -17.584 -0.592 1.00 0.00 H new ATOM 0 HA LYS A 115 17.685 -17.009 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 115 15.998 -15.679 -0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.568 -15.540 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.272 -17.938 -2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.898 -18.190 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.450 -18.306 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.992 -16.922 0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.067 -16.295 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.486 -15.421 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.152 -16.310 -3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 13.733 -16.930 -3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.447 -17.891 -2.759 1.00 0.00 H new ATOM 1752 N VAL A 116 19.140 -14.454 -1.693 1.00 0.00 N ATOM 1753 CA VAL A 116 19.610 -13.158 -2.123 1.00 0.00 C ATOM 1754 C VAL A 116 20.920 -13.213 -2.832 1.00 0.00 C ATOM 1755 O VAL A 116 21.693 -14.151 -2.674 1.00 0.00 O ATOM 1756 CB VAL A 116 19.647 -12.138 -0.983 1.00 0.00 C ATOM 1757 CG1 VAL A 116 18.240 -11.692 -0.675 1.00 0.00 C ATOM 1758 CG2 VAL A 116 20.273 -12.756 0.255 1.00 0.00 C ATOM 0 H VAL A 116 19.721 -14.914 -0.992 1.00 0.00 H new ATOM 0 HA VAL A 116 18.872 -12.816 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 116 20.248 -11.281 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.258 -10.965 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 116 17.801 -11.235 -1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 116 17.642 -12.553 -0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 116 20.293 -12.020 1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 116 19.685 -13.619 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 116 21.291 -13.074 0.028 1.00 0.00 H new ATOM 1768 N ASP A 117 21.157 -12.239 -3.646 1.00 0.00 N ATOM 1769 CA ASP A 117 22.365 -12.187 -4.418 1.00 0.00 C ATOM 1770 C ASP A 117 23.240 -11.047 -3.953 1.00 0.00 C ATOM 1771 O ASP A 117 22.785 -9.907 -3.831 1.00 0.00 O ATOM 1772 CB ASP A 117 22.052 -12.056 -5.923 1.00 0.00 C ATOM 1773 CG ASP A 117 23.286 -11.865 -6.799 1.00 0.00 C ATOM 1774 OD1 ASP A 117 24.041 -12.842 -7.023 1.00 0.00 O ATOM 1775 OD2 ASP A 117 23.497 -10.751 -7.312 1.00 0.00 O ATOM 0 H ASP A 117 20.523 -11.455 -3.799 1.00 0.00 H new ATOM 0 HA ASP A 117 22.906 -13.121 -4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 117 21.520 -12.949 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 117 21.379 -11.211 -6.072 1.00 0.00 H new ATOM 1780 N ILE A 118 24.454 -11.358 -3.604 1.00 0.00 N ATOM 1781 CA ILE A 118 25.401 -10.352 -3.249 1.00 0.00 C ATOM 1782 C ILE A 118 26.258 -10.012 -4.456 1.00 0.00 C ATOM 1783 O ILE A 118 26.727 -10.909 -5.172 1.00 0.00 O ATOM 1784 CB ILE A 118 26.269 -10.805 -2.058 1.00 0.00 C ATOM 1785 CG1 ILE A 118 26.853 -12.207 -2.311 1.00 0.00 C ATOM 1786 CG2 ILE A 118 25.459 -10.761 -0.778 1.00 0.00 C ATOM 1787 CD1 ILE A 118 27.630 -12.771 -1.162 1.00 0.00 C ATOM 0 H ILE A 118 24.811 -12.313 -3.559 1.00 0.00 H new ATOM 0 HA ILE A 118 24.865 -9.456 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 118 27.108 -10.118 -1.950 1.00 0.00 H new ATOM 0 HG12 ILE A 118 26.037 -12.889 -2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 118 27.501 -12.164 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.081 -11.083 0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.113 -9.743 -0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 118 24.600 -11.426 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 118 28.005 -13.760 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 118 28.469 -12.114 -0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 118 26.982 -12.850 -0.289 1.00 0.00 H new ATOM 1799 N ARG A 119 26.436 -8.756 -4.716 1.00 0.00 N ATOM 1800 CA ARG A 119 27.216 -8.349 -5.845 1.00 0.00 C ATOM 1801 C ARG A 119 28.391 -7.540 -5.381 1.00 0.00 C ATOM 1802 O ARG A 119 28.241 -6.571 -4.666 1.00 0.00 O ATOM 1803 CB ARG A 119 26.384 -7.572 -6.859 1.00 0.00 C ATOM 1804 CG ARG A 119 27.156 -7.250 -8.130 1.00 0.00 C ATOM 1805 CD ARG A 119 26.279 -6.602 -9.174 1.00 0.00 C ATOM 1806 NE ARG A 119 27.010 -6.408 -10.430 1.00 0.00 N ATOM 1807 CZ ARG A 119 26.821 -7.123 -11.545 1.00 0.00 C ATOM 1808 NH1 ARG A 119 26.018 -8.189 -11.536 1.00 0.00 N ATOM 1809 NH2 ARG A 119 27.464 -6.798 -12.655 1.00 0.00 N ATOM 0 H ARG A 119 26.051 -7.991 -4.161 1.00 0.00 H new ATOM 0 HA ARG A 119 27.576 -9.244 -6.352 1.00 0.00 H new ATOM 0 HB2 ARG A 119 25.497 -8.151 -7.115 1.00 0.00 H new ATOM 0 HB3 ARG A 119 26.038 -6.644 -6.404 1.00 0.00 H new ATOM 0 HG2 ARG A 119 27.987 -6.586 -7.891 1.00 0.00 H new ATOM 0 HG3 ARG A 119 27.586 -8.166 -8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 119 25.401 -7.223 -9.353 1.00 0.00 H new ATOM 0 HD3 ARG A 119 25.920 -5.641 -8.806 1.00 0.00 H new ATOM 0 HE ARG A 119 27.716 -5.672 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 119 25.544 -8.463 -10.675 1.00 0.00 H new ATOM 0 HH12 ARG A 119 25.878 -8.730 -12.390 1.00 0.00 H new ATOM 0 HH21 ARG A 119 28.103 -6.003 -12.660 1.00 0.00 H new ATOM 0 HH22 ARG A 119 27.321 -7.342 -13.506 1.00 0.00 H new ATOM 1822 N LEU A 120 29.548 -7.946 -5.766 1.00 0.00 N ATOM 1823 CA LEU A 120 30.737 -7.290 -5.348 1.00 0.00 C ATOM 1824 C LEU A 120 31.749 -7.251 -6.454 1.00 0.00 C ATOM 1825 O LEU A 120 31.592 -7.927 -7.471 1.00 0.00 O ATOM 1826 CB LEU A 120 31.331 -7.891 -4.019 1.00 0.00 C ATOM 1827 CG LEU A 120 31.505 -9.438 -3.861 1.00 0.00 C ATOM 1828 CD1 LEU A 120 30.167 -10.157 -3.744 1.00 0.00 C ATOM 1829 CD2 LEU A 120 32.354 -10.042 -4.977 1.00 0.00 C ATOM 0 H LEU A 120 29.698 -8.745 -6.382 1.00 0.00 H new ATOM 0 HA LEU A 120 30.466 -6.261 -5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 120 32.312 -7.439 -3.871 1.00 0.00 H new ATOM 0 HB3 LEU A 120 30.697 -7.552 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 120 32.042 -9.588 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 120 30.338 -11.228 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 120 29.629 -9.786 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 120 29.575 -9.972 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 120 32.446 -11.117 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 120 31.878 -9.852 -5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 120 33.345 -9.588 -4.967 1.00 0.00 H new