USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 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 88 LYS NZ :NH3+ -164:sc= 0.37 (180deg=0.236) USER MOD Set 1.2: A 92 MET CE :methyl -155:sc= -0.78 (180deg=-3.32!) USER MOD Set 2.1: A 79 GLN : amide:sc= 0.998 X(o=2.2,f=1.8) USER MOD Set 2.2: A 84 THR OG1 : rot 76:sc= 1.17 USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= -0.285 USER MOD Set 3.2: A 57 MET CE :methyl -164:sc= -0.492 (180deg=-0.77) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 58:sc= 0.0113 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -144:sc= -0.37 (180deg=-1.51!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -146:sc= -1.48 (180deg=-3.55!) USER MOD Single : A 82 HIS : no HD1:sc= -5.57! C(o=-5.6!,f=-9.7!) USER MOD Single : A 90 THR OG1 : rot -90:sc= -2.31 USER MOD Single : A 98 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.023) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -2.89 X(o=-2.9,f=-2.6) USER MOD Single : A 104 MET CE :methyl 168:sc= -6.09! (180deg=-7.04!) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0283 USER MOD Single : A 110 SER OG : rot -170:sc= -3.25! USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -156:sc= -0.608! (180deg=-1.63!) USER MOD Single : A 123 GLN : amide:sc= -0.0441 X(o=-0.044,f=0) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.615 8.973 4.131 1.00 0.00 N ATOM 766 CA LEU A 53 1.959 8.973 4.694 1.00 0.00 C ATOM 767 C LEU A 53 2.735 7.741 4.248 1.00 0.00 C ATOM 768 O LEU A 53 2.153 6.693 3.967 1.00 0.00 O ATOM 769 CB LEU A 53 1.901 9.019 6.223 1.00 0.00 C ATOM 770 CG LEU A 53 2.942 9.923 6.887 1.00 0.00 C ATOM 771 CD1 LEU A 53 2.261 11.000 7.711 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.882 9.109 7.762 1.00 0.00 C ATOM 0 HA LEU A 53 2.473 9.862 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.908 9.354 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.025 8.006 6.606 1.00 0.00 H new ATOM 0 HG LEU A 53 3.528 10.401 6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.016 11.634 8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.626 11.606 7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.651 10.535 8.485 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.614 9.771 8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.309 8.603 8.539 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.398 8.368 7.151 1.00 0.00 H new ATOM 784 N THR A 54 4.052 7.880 4.180 1.00 0.00 N ATOM 785 CA THR A 54 4.925 6.783 3.789 1.00 0.00 C ATOM 786 C THR A 54 6.368 7.122 4.127 1.00 0.00 C ATOM 787 O THR A 54 6.632 8.107 4.816 1.00 0.00 O ATOM 788 CB THR A 54 4.791 6.482 2.294 1.00 0.00 C ATOM 789 OG1 THR A 54 3.924 7.413 1.668 1.00 0.00 O ATOM 790 CG2 THR A 54 4.260 5.093 2.010 1.00 0.00 C ATOM 0 H THR A 54 4.542 8.749 4.393 1.00 0.00 H new ATOM 0 HA THR A 54 4.626 5.893 4.343 1.00 0.00 H new ATOM 0 HB THR A 54 5.802 6.556 1.893 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.854 7.204 0.713 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.189 4.944 0.933 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.936 4.351 2.435 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.272 4.983 2.457 1.00 0.00 H new ATOM 798 N ALA A 55 7.298 6.314 3.638 1.00 0.00 N ATOM 799 CA ALA A 55 8.710 6.535 3.911 1.00 0.00 C ATOM 800 C ALA A 55 9.148 7.927 3.467 1.00 0.00 C ATOM 801 O ALA A 55 10.039 8.527 4.065 1.00 0.00 O ATOM 802 CB ALA A 55 9.553 5.477 3.228 1.00 0.00 C ATOM 0 H ALA A 55 7.101 5.502 3.052 1.00 0.00 H new ATOM 0 HA ALA A 55 8.857 6.462 4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.606 5.657 3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.270 4.492 3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.389 5.520 2.151 1.00 0.00 H new ATOM 808 N SER A 56 8.521 8.430 2.406 1.00 0.00 N ATOM 809 CA SER A 56 8.843 9.753 1.881 1.00 0.00 C ATOM 810 C SER A 56 8.441 10.839 2.874 1.00 0.00 C ATOM 811 O SER A 56 9.246 11.704 3.224 1.00 0.00 O ATOM 812 CB SER A 56 8.139 9.983 0.543 1.00 0.00 C ATOM 813 OG SER A 56 9.076 10.162 -0.504 1.00 0.00 O ATOM 0 H SER A 56 7.787 7.941 1.894 1.00 0.00 H new ATOM 0 HA SER A 56 9.921 9.804 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.495 9.133 0.317 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.496 10.860 0.613 1.00 0.00 H new ATOM 0 HG SER A 56 8.600 10.305 -1.348 1.00 0.00 H new ATOM 819 N MET A 57 7.198 10.773 3.341 1.00 0.00 N ATOM 820 CA MET A 57 6.697 11.734 4.317 1.00 0.00 C ATOM 821 C MET A 57 7.570 11.712 5.560 1.00 0.00 C ATOM 822 O MET A 57 7.828 12.744 6.178 1.00 0.00 O ATOM 823 CB MET A 57 5.254 11.398 4.697 1.00 0.00 C ATOM 824 CG MET A 57 4.217 11.817 3.666 1.00 0.00 C ATOM 825 SD MET A 57 4.925 12.186 2.047 1.00 0.00 S ATOM 826 CE MET A 57 4.701 10.616 1.214 1.00 0.00 C ATOM 0 H MET A 57 6.520 10.065 3.060 1.00 0.00 H new ATOM 0 HA MET A 57 6.725 12.729 3.874 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.175 10.323 4.857 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.020 11.880 5.646 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.480 11.021 3.559 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.687 12.696 4.031 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.328 10.584 0.323 1.00 0.00 H new ATOM 0 HE2 MET A 57 4.983 9.805 1.885 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.656 10.503 0.926 1.00 0.00 H new ATOM 836 N LEU A 58 8.033 10.519 5.904 1.00 0.00 N ATOM 837 CA LEU A 58 8.906 10.327 7.050 1.00 0.00 C ATOM 838 C LEU A 58 10.264 10.963 6.795 1.00 0.00 C ATOM 839 O LEU A 58 10.841 11.601 7.674 1.00 0.00 O ATOM 840 CB LEU A 58 9.074 8.836 7.317 1.00 0.00 C ATOM 841 CG LEU A 58 7.768 8.079 7.541 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.950 6.600 7.230 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.274 8.288 8.963 1.00 0.00 C ATOM 0 H LEU A 58 7.814 9.661 5.398 1.00 0.00 H new ATOM 0 HA LEU A 58 8.457 10.804 7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.599 8.386 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.709 8.707 8.194 1.00 0.00 H new ATOM 0 HG LEU A 58 7.012 8.472 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.009 6.075 7.395 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.254 6.482 6.190 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.717 6.183 7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.342 7.742 9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.022 7.921 9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.103 9.350 9.136 1.00 0.00 H new ATOM 855 N ALA A 59 10.758 10.785 5.576 1.00 0.00 N ATOM 856 CA ALA A 59 12.042 11.347 5.172 1.00 0.00 C ATOM 857 C ALA A 59 12.018 12.872 5.249 1.00 0.00 C ATOM 858 O ALA A 59 13.059 13.522 5.174 1.00 0.00 O ATOM 859 CB ALA A 59 12.398 10.892 3.766 1.00 0.00 C ATOM 0 H ALA A 59 10.286 10.252 4.845 1.00 0.00 H new ATOM 0 HA ALA A 59 12.805 10.985 5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.359 11.319 3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.462 9.804 3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.629 11.226 3.070 1.00 0.00 H new ATOM 865 N SER A 60 10.820 13.432 5.398 1.00 0.00 N ATOM 866 CA SER A 60 10.658 14.879 5.503 1.00 0.00 C ATOM 867 C SER A 60 11.088 15.369 6.882 1.00 0.00 C ATOM 868 O SER A 60 11.261 16.569 7.100 1.00 0.00 O ATOM 869 CB SER A 60 9.200 15.270 5.247 1.00 0.00 C ATOM 870 OG SER A 60 8.798 14.915 3.936 1.00 0.00 O ATOM 0 H SER A 60 9.948 12.906 5.449 1.00 0.00 H new ATOM 0 HA SER A 60 11.291 15.348 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.555 14.777 5.974 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.078 16.344 5.390 1.00 0.00 H new ATOM 0 HG SER A 60 8.914 13.950 3.808 1.00 0.00 H new ATOM 876 N ALA A 61 11.252 14.431 7.809 1.00 0.00 N ATOM 877 CA ALA A 61 11.653 14.758 9.174 1.00 0.00 C ATOM 878 C ALA A 61 12.627 13.717 9.726 1.00 0.00 C ATOM 879 O ALA A 61 12.352 13.089 10.747 1.00 0.00 O ATOM 880 CB ALA A 61 10.423 14.852 10.064 1.00 0.00 C ATOM 0 H ALA A 61 11.113 13.435 7.640 1.00 0.00 H new ATOM 0 HA ALA A 61 12.163 15.721 9.161 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.728 15.096 11.082 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.760 15.631 9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.899 13.896 10.062 1.00 0.00 H new ATOM 946 N GLN A 66 10.714 11.284 11.894 1.00 0.00 N ATOM 947 CA GLN A 66 11.009 10.187 10.977 1.00 0.00 C ATOM 948 C GLN A 66 10.568 8.857 11.574 1.00 0.00 C ATOM 949 O GLN A 66 9.727 8.157 11.008 1.00 0.00 O ATOM 950 CB GLN A 66 12.506 10.141 10.661 1.00 0.00 C ATOM 951 CG GLN A 66 12.831 9.479 9.332 1.00 0.00 C ATOM 952 CD GLN A 66 13.851 8.366 9.470 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.022 8.536 9.132 1.00 0.00 O ATOM 954 NE2 GLN A 66 13.411 7.218 9.971 1.00 0.00 N ATOM 0 HA GLN A 66 10.457 10.359 10.053 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.898 11.158 10.656 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.020 9.605 11.459 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.916 9.077 8.897 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.210 10.230 8.639 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.432 7.120 10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.052 6.434 10.089 1.00 0.00 H new ATOM 963 N LYS A 67 11.139 8.519 12.725 1.00 0.00 N ATOM 964 CA LYS A 67 10.797 7.284 13.417 1.00 0.00 C ATOM 965 C LYS A 67 9.644 7.518 14.385 1.00 0.00 C ATOM 966 O LYS A 67 9.536 6.851 15.413 1.00 0.00 O ATOM 967 CB LYS A 67 12.013 6.741 14.169 1.00 0.00 C ATOM 968 CG LYS A 67 12.598 7.725 15.170 1.00 0.00 C ATOM 969 CD LYS A 67 13.828 7.157 15.859 1.00 0.00 C ATOM 970 CE LYS A 67 14.922 8.202 15.995 1.00 0.00 C ATOM 971 NZ LYS A 67 15.236 8.851 14.693 1.00 0.00 N ATOM 0 H LYS A 67 11.843 9.086 13.199 1.00 0.00 H new ATOM 0 HA LYS A 67 10.486 6.548 12.675 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.728 5.829 14.693 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.783 6.467 13.448 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.861 8.651 14.659 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.845 7.976 15.917 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.554 6.785 16.846 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.204 6.306 15.291 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.612 8.961 16.713 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.822 7.735 16.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.256 9.048 14.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.965 8.217 13.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.707 9.743 14.613 1.00 0.00 H new ATOM 985 N GLN A 68 8.784 8.473 14.045 1.00 0.00 N ATOM 986 CA GLN A 68 7.636 8.803 14.878 1.00 0.00 C ATOM 987 C GLN A 68 6.339 8.711 14.081 1.00 0.00 C ATOM 988 O GLN A 68 5.358 8.129 14.541 1.00 0.00 O ATOM 989 CB GLN A 68 7.791 10.211 15.459 1.00 0.00 C ATOM 990 CG GLN A 68 6.615 10.652 16.317 1.00 0.00 C ATOM 991 CD GLN A 68 5.792 11.744 15.661 1.00 0.00 C ATOM 992 OE1 GLN A 68 4.921 11.470 14.836 1.00 0.00 O ATOM 993 NE2 GLN A 68 6.066 12.991 16.026 1.00 0.00 N ATOM 0 H GLN A 68 8.862 9.033 13.196 1.00 0.00 H new ATOM 0 HA GLN A 68 7.591 8.081 15.694 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.701 10.249 16.058 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.918 10.920 14.641 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.976 9.793 16.520 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.985 11.009 17.278 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.797 13.172 16.714 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.545 13.768 15.618 1.00 0.00 H new ATOM 1002 N MET A 69 6.345 9.281 12.880 1.00 0.00 N ATOM 1003 CA MET A 69 5.163 9.275 12.026 1.00 0.00 C ATOM 1004 C MET A 69 4.924 7.905 11.405 1.00 0.00 C ATOM 1005 O MET A 69 3.893 7.678 10.771 1.00 0.00 O ATOM 1006 CB MET A 69 5.304 10.300 10.903 1.00 0.00 C ATOM 1007 CG MET A 69 5.464 11.731 11.379 1.00 0.00 C ATOM 1008 SD MET A 69 4.880 12.926 10.160 1.00 0.00 S ATOM 1009 CE MET A 69 6.105 12.710 8.872 1.00 0.00 C ATOM 0 H MET A 69 7.155 9.752 12.477 1.00 0.00 H new ATOM 0 HA MET A 69 4.314 9.530 12.660 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.166 10.035 10.291 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.426 10.240 10.260 1.00 0.00 H new ATOM 0 HG2 MET A 69 4.913 11.866 12.310 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.514 11.923 11.599 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.883 13.382 8.043 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.094 12.937 9.269 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.084 11.679 8.519 1.00 0.00 H new ATOM 1019 N LEU A 70 5.884 7.002 11.565 1.00 0.00 N ATOM 1020 CA LEU A 70 5.776 5.675 10.970 1.00 0.00 C ATOM 1021 C LEU A 70 4.522 4.954 11.447 1.00 0.00 C ATOM 1022 O LEU A 70 3.742 4.450 10.639 1.00 0.00 O ATOM 1023 CB LEU A 70 7.005 4.813 11.290 1.00 0.00 C ATOM 1024 CG LEU A 70 7.938 5.327 12.396 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.185 5.544 13.701 1.00 0.00 C ATOM 1026 CD2 LEU A 70 9.075 4.345 12.609 1.00 0.00 C ATOM 0 H LEU A 70 6.739 7.162 12.097 1.00 0.00 H new ATOM 0 HA LEU A 70 5.716 5.820 9.891 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.659 3.818 11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.589 4.701 10.377 1.00 0.00 H new ATOM 0 HG LEU A 70 8.342 6.288 12.078 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.875 5.908 14.463 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.394 6.278 13.547 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.746 4.602 14.029 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.733 4.715 13.395 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.669 3.377 12.902 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.640 4.237 11.683 1.00 0.00 H new ATOM 1038 N GLY A 71 4.346 4.884 12.759 1.00 0.00 N ATOM 1039 CA GLY A 71 3.188 4.215 13.307 1.00 0.00 C ATOM 1040 C GLY A 71 2.379 5.117 14.217 1.00 0.00 C ATOM 1041 O GLY A 71 1.646 4.640 15.084 1.00 0.00 O ATOM 0 H GLY A 71 4.984 5.278 13.451 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.555 3.863 12.492 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.509 3.335 13.864 1.00 0.00 H new ATOM 1045 N GLU A 72 2.512 6.428 14.020 1.00 0.00 N ATOM 1046 CA GLU A 72 1.787 7.397 14.835 1.00 0.00 C ATOM 1047 C GLU A 72 1.205 8.521 13.981 1.00 0.00 C ATOM 1048 O GLU A 72 0.555 9.429 14.502 1.00 0.00 O ATOM 1049 CB GLU A 72 2.703 7.984 15.910 1.00 0.00 C ATOM 1050 CG GLU A 72 3.281 6.944 16.855 1.00 0.00 C ATOM 1051 CD GLU A 72 2.930 7.215 18.305 1.00 0.00 C ATOM 1052 OE1 GLU A 72 3.026 8.386 18.730 1.00 0.00 O ATOM 1053 OE2 GLU A 72 2.558 6.257 19.015 1.00 0.00 O ATOM 0 H GLU A 72 3.113 6.840 13.306 1.00 0.00 H new ATOM 0 HA GLU A 72 0.962 6.871 15.314 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.521 8.517 15.426 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.144 8.718 16.490 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.912 5.958 16.574 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.365 6.922 16.746 1.00 0.00 H new ATOM 1060 N ARG A 73 1.393 8.432 12.667 1.00 0.00 N ATOM 1061 CA ARG A 73 0.869 9.436 11.755 1.00 0.00 C ATOM 1062 C ARG A 73 0.016 8.777 10.680 1.00 0.00 C ATOM 1063 O ARG A 73 -0.998 9.330 10.258 1.00 0.00 O ATOM 1064 CB ARG A 73 2.009 10.220 11.114 1.00 0.00 C ATOM 1065 CG ARG A 73 1.718 11.706 10.962 1.00 0.00 C ATOM 1066 CD ARG A 73 1.735 12.416 12.304 1.00 0.00 C ATOM 1067 NE ARG A 73 1.718 13.869 12.157 1.00 0.00 N ATOM 1068 CZ ARG A 73 0.757 14.650 12.644 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -0.263 14.119 13.308 1.00 0.00 N ATOM 1070 NH2 ARG A 73 0.815 15.963 12.468 1.00 0.00 N ATOM 0 H ARG A 73 1.904 7.675 12.214 1.00 0.00 H new ATOM 0 HA ARG A 73 0.247 10.128 12.322 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.909 10.094 11.716 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.222 9.798 10.132 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.458 12.157 10.301 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.745 11.841 10.490 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.872 12.101 12.891 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.624 12.119 12.860 1.00 0.00 H new ATOM 0 HE ARG A 73 2.487 14.310 11.652 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.312 13.110 13.446 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.998 14.721 13.680 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.597 16.375 11.959 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.078 16.561 12.842 1.00 0.00 H new ATOM 1084 N LEU A 74 0.406 7.572 10.273 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.347 6.814 9.304 1.00 0.00 C ATOM 1086 C LEU A 74 -1.760 6.542 9.790 1.00 0.00 C ATOM 1087 O LEU A 74 -2.696 6.504 9.002 1.00 0.00 O ATOM 1088 CB LEU A 74 0.347 5.478 9.100 1.00 0.00 C ATOM 1089 CG LEU A 74 1.358 5.416 7.973 1.00 0.00 C ATOM 1090 CD1 LEU A 74 0.766 5.972 6.684 1.00 0.00 C ATOM 1091 CD2 LEU A 74 2.643 6.130 8.350 1.00 0.00 C ATOM 0 H LEU A 74 1.248 7.105 10.609 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.399 7.389 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.851 5.208 10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.415 4.720 8.919 1.00 0.00 H new ATOM 0 HG LEU A 74 1.608 4.369 7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.510 5.917 5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.109 5.386 6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.473 7.011 6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.349 6.069 7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.428 7.176 8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.076 5.658 9.232 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.871 6.269 11.087 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.135 5.888 11.722 1.00 0.00 C ATOM 1105 C PHE A 75 -4.375 6.438 10.995 1.00 0.00 C ATOM 1106 O PHE A 75 -5.202 5.657 10.516 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.125 6.314 13.194 1.00 0.00 C ATOM 1108 CG PHE A 75 -3.936 5.427 14.099 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -4.032 4.063 13.860 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -4.581 5.957 15.203 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -4.769 3.252 14.702 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -5.320 5.149 16.047 1.00 0.00 C ATOM 1113 CZ PHE A 75 -5.415 3.796 15.795 1.00 0.00 C ATOM 0 H PHE A 75 -1.083 6.305 11.734 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.212 4.803 11.656 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.094 6.331 13.549 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.504 7.333 13.268 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.526 3.632 13.009 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.506 7.015 15.408 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.840 2.192 14.505 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.822 5.576 16.902 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.994 3.163 16.451 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.540 7.775 10.887 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.705 8.365 10.217 1.00 0.00 C ATOM 1125 C PRO A 76 -5.688 8.126 8.710 1.00 0.00 C ATOM 1126 O PRO A 76 -6.738 8.021 8.075 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.590 9.867 10.520 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.566 9.976 11.601 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.639 8.814 11.405 1.00 0.00 C ATOM 0 HA PRO A 76 -6.636 7.922 10.570 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.287 10.424 9.634 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.547 10.277 10.843 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.027 10.921 11.535 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.032 9.943 12.586 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.840 9.046 10.701 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.164 8.511 12.338 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.488 8.036 8.147 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.321 7.831 6.715 1.00 0.00 C ATOM 1139 C LEU A 77 -4.460 6.359 6.328 1.00 0.00 C ATOM 1140 O LEU A 77 -4.662 6.040 5.156 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.957 8.363 6.273 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.799 9.881 6.378 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.360 10.291 6.112 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.742 10.583 5.415 1.00 0.00 C ATOM 0 H LEU A 77 -3.612 8.102 8.665 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.114 8.379 6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.184 7.888 6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.783 8.064 5.239 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.057 10.182 7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.270 11.374 6.192 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.706 9.818 6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.071 9.976 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.616 11.662 5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.516 10.274 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.771 10.317 5.655 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.344 5.461 7.305 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.492 4.034 7.036 1.00 0.00 C ATOM 1158 C ILE A 78 -5.954 3.704 6.786 1.00 0.00 C ATOM 1159 O ILE A 78 -6.285 2.964 5.861 1.00 0.00 O ATOM 1160 CB ILE A 78 -3.983 3.156 8.187 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.552 3.543 8.574 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -4.058 1.688 7.793 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.503 3.067 7.594 1.00 0.00 C ATOM 0 H ILE A 78 -4.150 5.694 8.279 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.887 3.819 6.155 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.619 3.317 9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.490 4.628 8.659 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.328 3.132 9.559 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.695 1.072 8.615 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.092 1.423 7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.441 1.516 6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.517 3.379 7.937 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.536 1.980 7.526 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.700 3.498 6.613 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.826 4.278 7.611 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.265 4.103 7.451 1.00 0.00 C ATOM 1177 C GLN A 79 -8.668 4.409 6.013 1.00 0.00 C ATOM 1178 O GLN A 79 -9.734 4.008 5.546 1.00 0.00 O ATOM 1179 CB GLN A 79 -9.013 5.036 8.402 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.410 4.385 9.717 1.00 0.00 C ATOM 1181 CD GLN A 79 -10.170 5.329 10.628 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -11.388 5.228 10.769 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -9.452 6.257 11.250 1.00 0.00 N ATOM 0 H GLN A 79 -6.559 4.869 8.398 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.523 3.070 7.685 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.387 5.903 8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.910 5.403 7.904 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.025 3.509 9.513 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.514 4.034 10.229 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.444 6.305 11.104 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.909 6.922 11.874 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.795 5.134 5.326 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.005 5.498 3.933 1.00 0.00 C ATOM 1194 C ALA A 80 -7.652 4.338 3.009 1.00 0.00 C ATOM 1195 O ALA A 80 -8.335 4.092 2.015 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.167 6.717 3.584 1.00 0.00 C ATOM 0 H ALA A 80 -6.922 5.486 5.719 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.060 5.736 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.330 6.983 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.457 7.553 4.221 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.112 6.491 3.741 1.00 0.00 H new ATOM 1202 N MET A 81 -6.567 3.637 3.336 1.00 0.00 N ATOM 1203 CA MET A 81 -6.125 2.498 2.536 1.00 0.00 C ATOM 1204 C MET A 81 -7.082 1.326 2.703 1.00 0.00 C ATOM 1205 O MET A 81 -7.554 0.747 1.724 1.00 0.00 O ATOM 1206 CB MET A 81 -4.711 2.074 2.946 1.00 0.00 C ATOM 1207 CG MET A 81 -3.832 3.231 3.385 1.00 0.00 C ATOM 1208 SD MET A 81 -2.254 3.274 2.517 1.00 0.00 S ATOM 1209 CE MET A 81 -1.182 2.528 3.743 1.00 0.00 C ATOM 0 H MET A 81 -5.981 3.837 4.146 1.00 0.00 H new ATOM 0 HA MET A 81 -6.115 2.800 1.489 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.779 1.352 3.759 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.236 1.566 2.107 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.361 4.169 3.215 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.650 3.157 4.457 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.193 2.983 3.687 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.599 2.689 4.737 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.101 1.458 3.552 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.362 0.987 3.955 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.264 -0.109 4.276 1.00 0.00 C ATOM 1221 C HIS A 82 -9.572 0.424 4.848 1.00 0.00 C ATOM 1222 O HIS A 82 -9.596 1.502 5.436 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.603 -1.039 5.291 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.853 -2.176 4.671 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.092 -3.476 5.040 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.881 -2.155 3.728 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.275 -4.216 4.312 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.514 -3.456 3.511 1.00 0.00 N ATOM 0 H HIS A 82 -6.973 1.461 4.770 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.481 -0.660 3.361 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.918 -0.459 5.909 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.369 -1.440 5.955 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.474 -1.281 3.241 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.226 -5.294 4.356 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.798 -3.785 2.863 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.678 -0.327 4.702 1.00 0.00 N ATOM 1237 CA PRO A 83 -11.983 0.085 5.234 1.00 0.00 C ATOM 1238 C PRO A 83 -11.957 0.224 6.754 1.00 0.00 C ATOM 1239 O PRO A 83 -12.367 -0.684 7.475 1.00 0.00 O ATOM 1240 CB PRO A 83 -12.927 -1.045 4.809 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.040 -2.210 4.530 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.747 -1.634 4.026 1.00 0.00 C ATOM 0 HA PRO A 83 -12.288 1.062 4.859 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.645 -1.276 5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.502 -0.767 3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.879 -2.802 5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.487 -2.872 3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.897 -2.266 4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.749 -1.527 2.941 1.00 0.00 H new ATOM 1250 N THR A 84 -11.451 1.366 7.224 1.00 0.00 N ATOM 1251 CA THR A 84 -11.333 1.653 8.656 1.00 0.00 C ATOM 1252 C THR A 84 -10.840 0.432 9.438 1.00 0.00 C ATOM 1253 O THR A 84 -11.204 0.234 10.598 1.00 0.00 O ATOM 1254 CB THR A 84 -12.671 2.150 9.222 1.00 0.00 C ATOM 1255 OG1 THR A 84 -12.486 2.716 10.508 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.730 1.075 9.342 1.00 0.00 C ATOM 0 H THR A 84 -11.112 2.118 6.624 1.00 0.00 H new ATOM 0 HA THR A 84 -10.590 2.442 8.772 1.00 0.00 H new ATOM 0 HB THR A 84 -13.023 2.889 8.502 1.00 0.00 H new ATOM 0 HG1 THR A 84 -12.086 3.606 10.419 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.644 1.508 9.749 1.00 0.00 H new ATOM 0 HG22 THR A 84 -13.935 0.655 8.357 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.375 0.287 10.006 1.00 0.00 H new ATOM 1264 N LEU A 85 -9.988 -0.366 8.802 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.435 -1.561 9.430 1.00 0.00 C ATOM 1266 C LEU A 85 -8.170 -1.228 10.211 1.00 0.00 C ATOM 1267 O LEU A 85 -7.458 -2.121 10.673 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.122 -2.611 8.366 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.015 -3.856 8.388 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -11.479 -3.473 8.225 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -9.597 -4.832 7.300 1.00 0.00 C ATOM 0 H LEU A 85 -9.664 -0.206 7.848 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.176 -1.957 10.124 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.203 -2.144 7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.085 -2.926 8.485 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.895 -4.344 9.355 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.095 -4.372 8.244 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.776 -2.813 9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.617 -2.959 7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.242 -5.710 7.331 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.686 -4.351 6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.563 -5.136 7.462 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.898 0.063 10.345 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.711 0.537 11.054 1.00 0.00 C ATOM 1285 C ALA A 86 -6.871 0.418 12.568 1.00 0.00 C ATOM 1286 O ALA A 86 -6.453 1.303 13.313 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.410 1.977 10.667 1.00 0.00 C ATOM 0 H ALA A 86 -8.486 0.807 9.970 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.874 -0.097 10.761 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.524 2.320 11.201 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.232 2.036 9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.259 2.609 10.929 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.464 -0.682 13.021 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.629 -0.897 14.446 1.00 0.00 C ATOM 1295 C GLY A 87 -6.322 -1.273 15.112 1.00 0.00 C ATOM 1296 O GLY A 87 -6.216 -1.265 16.339 1.00 0.00 O ATOM 0 H GLY A 87 -7.832 -1.426 12.428 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.025 0.008 14.907 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.362 -1.686 14.612 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.325 -1.600 14.292 1.00 0.00 N ATOM 1301 CA LYS A 88 -4.006 -1.979 14.786 1.00 0.00 C ATOM 1302 C LYS A 88 -3.054 -2.252 13.625 1.00 0.00 C ATOM 1303 O LYS A 88 -2.204 -3.137 13.701 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.099 -3.222 15.677 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.795 -3.570 16.379 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.647 -5.070 16.562 1.00 0.00 C ATOM 1307 CE LYS A 88 -1.778 -5.674 15.472 1.00 0.00 C ATOM 1308 NZ LYS A 88 -1.714 -7.158 15.569 1.00 0.00 N ATOM 0 H LYS A 88 -5.409 -1.609 13.275 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.618 -1.148 15.375 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.874 -3.063 16.427 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.412 -4.071 15.069 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.955 -3.188 15.799 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.761 -3.078 17.351 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.208 -5.278 17.538 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.631 -5.539 16.548 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.172 -5.391 14.496 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.771 -5.262 15.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.918 -7.509 14.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.578 -7.435 16.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.601 -7.568 15.214 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.210 -1.513 12.535 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.346 -1.704 11.385 1.00 0.00 C ATOM 1324 C ILE A 89 -1.006 -1.004 11.588 1.00 0.00 C ATOM 1325 O ILE A 89 -0.079 -1.583 12.148 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.997 -1.212 10.087 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.360 -1.881 9.898 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.079 -1.515 8.916 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.182 -1.288 8.777 1.00 0.00 C ATOM 0 H ILE A 89 -3.917 -0.786 12.426 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.179 -2.777 11.292 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.153 -0.135 10.141 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.209 -2.943 9.702 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.923 -1.805 10.828 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.540 -1.166 7.992 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.126 -1.007 9.060 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.911 -2.590 8.854 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.134 -1.815 8.705 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.366 -0.233 8.979 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.640 -1.388 7.836 1.00 0.00 H new ATOM 1341 N THR A 90 -0.918 0.244 11.135 1.00 0.00 N ATOM 1342 CA THR A 90 0.300 1.040 11.265 1.00 0.00 C ATOM 1343 C THR A 90 0.809 1.029 12.702 1.00 0.00 C ATOM 1344 O THR A 90 2.015 0.961 12.940 1.00 0.00 O ATOM 1345 CB THR A 90 0.021 2.467 10.801 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.739 2.740 9.612 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.372 3.541 11.812 1.00 0.00 C ATOM 0 H THR A 90 -1.685 0.730 10.670 1.00 0.00 H new ATOM 0 HA THR A 90 1.078 0.604 10.639 1.00 0.00 H new ATOM 0 HB THR A 90 -1.057 2.506 10.648 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.619 3.107 9.838 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.140 4.522 11.396 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.207 3.387 12.722 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.435 3.488 12.045 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.112 1.122 13.656 1.00 0.00 N ATOM 1356 CA GLY A 91 0.278 1.082 15.049 1.00 0.00 C ATOM 1357 C GLY A 91 1.087 -0.158 15.347 1.00 0.00 C ATOM 1358 O GLY A 91 1.997 -0.142 16.178 1.00 0.00 O ATOM 0 H GLY A 91 -1.113 1.224 13.489 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.862 1.969 15.293 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.610 1.102 15.680 1.00 0.00 H new ATOM 1362 N MET A 92 0.781 -1.228 14.623 1.00 0.00 N ATOM 1363 CA MET A 92 1.504 -2.484 14.772 1.00 0.00 C ATOM 1364 C MET A 92 2.792 -2.446 13.963 1.00 0.00 C ATOM 1365 O MET A 92 3.756 -3.137 14.283 1.00 0.00 O ATOM 1366 CB MET A 92 0.630 -3.665 14.335 1.00 0.00 C ATOM 1367 CG MET A 92 1.323 -4.642 13.399 1.00 0.00 C ATOM 1368 SD MET A 92 0.813 -6.349 13.658 1.00 0.00 S ATOM 1369 CE MET A 92 -0.476 -6.484 12.427 1.00 0.00 C ATOM 0 H MET A 92 0.036 -1.250 13.926 1.00 0.00 H new ATOM 0 HA MET A 92 1.756 -2.618 15.824 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.297 -4.204 15.222 1.00 0.00 H new ATOM 0 HB3 MET A 92 -0.263 -3.279 13.843 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.113 -4.359 12.368 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.401 -4.566 13.538 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.179 -7.264 12.720 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.003 -5.533 12.346 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.034 -6.737 11.463 1.00 0.00 H new ATOM 1379 N LEU A 93 2.801 -1.624 12.920 1.00 0.00 N ATOM 1380 CA LEU A 93 3.978 -1.475 12.073 1.00 0.00 C ATOM 1381 C LEU A 93 5.163 -0.984 12.891 1.00 0.00 C ATOM 1382 O LEU A 93 6.292 -0.925 12.404 1.00 0.00 O ATOM 1383 CB LEU A 93 3.687 -0.507 10.933 1.00 0.00 C ATOM 1384 CG LEU A 93 3.089 -1.143 9.673 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.097 -2.072 9.015 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.811 -1.893 10.010 1.00 0.00 C ATOM 0 H LEU A 93 2.005 -1.050 12.641 1.00 0.00 H new ATOM 0 HA LEU A 93 4.228 -2.449 11.651 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.001 0.259 11.294 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.614 -0.002 10.661 1.00 0.00 H new ATOM 0 HG LEU A 93 2.845 -0.348 8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.655 -2.515 8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.986 -1.506 8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.373 -2.862 9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.400 -2.338 9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.030 -2.679 10.733 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.084 -1.201 10.436 1.00 0.00 H new ATOM 1398 N LEU A 94 4.894 -0.631 14.141 1.00 0.00 N ATOM 1399 CA LEU A 94 5.938 -0.218 15.057 1.00 0.00 C ATOM 1400 C LEU A 94 6.203 -1.345 16.043 1.00 0.00 C ATOM 1401 O LEU A 94 6.606 -1.115 17.184 1.00 0.00 O ATOM 1402 CB LEU A 94 5.525 1.057 15.791 1.00 0.00 C ATOM 1403 CG LEU A 94 6.103 2.354 15.214 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.555 2.524 15.633 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.976 2.369 13.696 1.00 0.00 C ATOM 0 H LEU A 94 3.956 -0.624 14.541 1.00 0.00 H new ATOM 0 HA LEU A 94 6.851 -0.004 14.502 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.437 1.127 15.783 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.831 0.973 16.834 1.00 0.00 H new ATOM 0 HG LEU A 94 5.531 3.192 15.612 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.949 3.450 15.214 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.618 2.562 16.721 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.141 1.682 15.265 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.392 3.298 13.305 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.521 1.523 13.277 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.924 2.297 13.418 1.00 0.00 H new ATOM 1417 N GLU A 95 5.929 -2.569 15.592 1.00 0.00 N ATOM 1418 CA GLU A 95 6.096 -3.753 16.425 1.00 0.00 C ATOM 1419 C GLU A 95 5.981 -5.039 15.605 1.00 0.00 C ATOM 1420 O GLU A 95 6.092 -6.136 16.155 1.00 0.00 O ATOM 1421 CB GLU A 95 5.053 -3.759 17.547 1.00 0.00 C ATOM 1422 CG GLU A 95 3.672 -4.211 17.099 1.00 0.00 C ATOM 1423 CD GLU A 95 2.735 -4.467 18.263 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.607 -3.575 19.128 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.130 -5.558 18.310 1.00 0.00 O ATOM 0 H GLU A 95 5.589 -2.764 14.650 1.00 0.00 H new ATOM 0 HA GLU A 95 7.096 -3.716 16.856 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.398 -4.414 18.347 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.978 -2.756 17.966 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.238 -3.451 16.449 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.766 -5.121 16.507 1.00 0.00 H new ATOM 1432 N ILE A 96 5.798 -4.907 14.288 1.00 0.00 N ATOM 1433 CA ILE A 96 5.670 -6.084 13.418 1.00 0.00 C ATOM 1434 C ILE A 96 6.942 -6.930 13.421 1.00 0.00 C ATOM 1435 O ILE A 96 7.715 -6.922 14.379 1.00 0.00 O ATOM 1436 CB ILE A 96 5.376 -5.707 11.946 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.562 -4.965 11.320 1.00 0.00 C ATOM 1438 CG2 ILE A 96 4.102 -4.896 11.817 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.886 -3.644 11.971 1.00 0.00 C ATOM 0 H ILE A 96 5.736 -4.011 13.804 1.00 0.00 H new ATOM 0 HA ILE A 96 4.832 -6.648 13.828 1.00 0.00 H new ATOM 0 HB ILE A 96 5.228 -6.637 11.397 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.442 -5.606 11.369 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.351 -4.794 10.264 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.931 -4.651 10.769 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.261 -5.477 12.196 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.197 -3.976 12.394 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.737 -3.188 11.465 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.024 -2.981 11.899 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.132 -3.806 13.020 1.00 0.00 H new ATOM 1451 N ASP A 97 7.164 -7.631 12.309 1.00 0.00 N ATOM 1452 CA ASP A 97 8.347 -8.456 12.122 1.00 0.00 C ATOM 1453 C ASP A 97 9.622 -7.620 12.224 1.00 0.00 C ATOM 1454 O ASP A 97 10.729 -8.150 12.130 1.00 0.00 O ATOM 1455 CB ASP A 97 8.274 -9.130 10.751 1.00 0.00 C ATOM 1456 CG ASP A 97 8.926 -10.498 10.738 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.771 -11.240 11.731 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.588 -10.829 9.732 1.00 0.00 O ATOM 0 H ASP A 97 6.525 -7.640 11.514 1.00 0.00 H new ATOM 0 HA ASP A 97 8.377 -9.211 12.908 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.230 -9.226 10.453 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.759 -8.493 10.011 1.00 0.00 H new ATOM 1463 N ASN A 98 9.441 -6.309 12.396 1.00 0.00 N ATOM 1464 CA ASN A 98 10.545 -5.358 12.518 1.00 0.00 C ATOM 1465 C ASN A 98 11.146 -5.024 11.160 1.00 0.00 C ATOM 1466 O ASN A 98 11.646 -3.918 10.949 1.00 0.00 O ATOM 1467 CB ASN A 98 11.630 -5.881 13.465 1.00 0.00 C ATOM 1468 CG ASN A 98 11.165 -5.928 14.907 1.00 0.00 C ATOM 1469 OD1 ASN A 98 11.325 -6.940 15.590 1.00 0.00 O ATOM 1470 ND2 ASN A 98 10.585 -4.831 15.378 1.00 0.00 N ATOM 0 H ASN A 98 8.519 -5.876 12.455 1.00 0.00 H new ATOM 0 HA ASN A 98 10.132 -4.442 12.942 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.932 -6.880 13.151 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.511 -5.244 13.391 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.251 -4.804 16.341 1.00 0.00 H new ATOM 0 HD22 ASN A 98 10.473 -4.015 14.776 1.00 0.00 H new ATOM 1477 N SER A 99 11.086 -5.974 10.237 1.00 0.00 N ATOM 1478 CA SER A 99 11.594 -5.753 8.890 1.00 0.00 C ATOM 1479 C SER A 99 10.648 -4.841 8.121 1.00 0.00 C ATOM 1480 O SER A 99 11.063 -4.107 7.224 1.00 0.00 O ATOM 1481 CB SER A 99 11.763 -7.082 8.151 1.00 0.00 C ATOM 1482 OG SER A 99 12.290 -8.080 9.008 1.00 0.00 O ATOM 0 H SER A 99 10.692 -6.902 10.395 1.00 0.00 H new ATOM 0 HA SER A 99 12.571 -5.274 8.962 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.800 -7.408 7.758 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.426 -6.945 7.297 1.00 0.00 H new ATOM 0 HG SER A 99 12.387 -8.920 8.512 1.00 0.00 H new ATOM 1488 N GLU A 100 9.375 -4.885 8.498 1.00 0.00 N ATOM 1489 CA GLU A 100 8.360 -4.039 7.886 1.00 0.00 C ATOM 1490 C GLU A 100 8.422 -2.640 8.475 1.00 0.00 C ATOM 1491 O GLU A 100 8.015 -1.672 7.838 1.00 0.00 O ATOM 1492 CB GLU A 100 6.973 -4.645 8.082 1.00 0.00 C ATOM 1493 CG GLU A 100 6.981 -6.163 8.120 1.00 0.00 C ATOM 1494 CD GLU A 100 5.946 -6.777 7.199 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.796 -6.973 7.646 1.00 0.00 O ATOM 1496 OE2 GLU A 100 6.285 -7.063 6.031 1.00 0.00 O ATOM 0 H GLU A 100 9.021 -5.502 9.229 1.00 0.00 H new ATOM 0 HA GLU A 100 8.555 -3.974 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.547 -4.267 9.012 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.321 -4.312 7.274 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.971 -6.524 7.840 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.797 -6.498 9.141 1.00 0.00 H new ATOM 1503 N LEU A 101 8.966 -2.543 9.685 1.00 0.00 N ATOM 1504 CA LEU A 101 9.148 -1.257 10.341 1.00 0.00 C ATOM 1505 C LEU A 101 10.322 -0.515 9.709 1.00 0.00 C ATOM 1506 O LEU A 101 10.399 0.711 9.756 1.00 0.00 O ATOM 1507 CB LEU A 101 9.397 -1.454 11.841 1.00 0.00 C ATOM 1508 CG LEU A 101 9.979 -0.242 12.573 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.237 -0.001 13.877 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.465 -0.438 12.830 1.00 0.00 C ATOM 0 H LEU A 101 9.288 -3.343 10.230 1.00 0.00 H new ATOM 0 HA LEU A 101 8.241 -0.666 10.214 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.455 -1.726 12.316 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.075 -2.297 11.972 1.00 0.00 H new ATOM 0 HG LEU A 101 9.854 0.637 11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.664 0.864 14.384 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.184 0.185 13.667 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.330 -0.879 14.516 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.862 0.433 13.351 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.614 -1.327 13.443 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.985 -0.561 11.880 1.00 0.00 H new ATOM 1522 N LEU A 102 11.238 -1.283 9.126 1.00 0.00 N ATOM 1523 CA LEU A 102 12.421 -0.724 8.484 1.00 0.00 C ATOM 1524 C LEU A 102 12.146 -0.390 7.026 1.00 0.00 C ATOM 1525 O LEU A 102 12.520 0.679 6.543 1.00 0.00 O ATOM 1526 CB LEU A 102 13.582 -1.715 8.571 1.00 0.00 C ATOM 1527 CG LEU A 102 14.590 -1.436 9.689 1.00 0.00 C ATOM 1528 CD1 LEU A 102 14.071 -1.965 11.019 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.940 -2.053 9.358 1.00 0.00 C ATOM 0 H LEU A 102 11.182 -2.301 9.086 1.00 0.00 H new ATOM 0 HA LEU A 102 12.685 0.196 9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.175 -2.716 8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.111 -1.716 7.618 1.00 0.00 H new ATOM 0 HG LEU A 102 14.719 -0.357 9.775 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.800 -1.758 11.802 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.128 -1.475 11.262 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.913 -3.041 10.946 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.643 -1.844 10.164 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.829 -3.131 9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.317 -1.627 8.428 1.00 0.00 H new ATOM 1541 N HIS A 103 11.504 -1.316 6.327 1.00 0.00 N ATOM 1542 CA HIS A 103 11.186 -1.118 4.924 1.00 0.00 C ATOM 1543 C HIS A 103 10.260 0.077 4.744 1.00 0.00 C ATOM 1544 O HIS A 103 10.487 0.916 3.875 1.00 0.00 O ATOM 1545 CB HIS A 103 10.538 -2.378 4.350 1.00 0.00 C ATOM 1546 CG HIS A 103 11.031 -2.740 2.984 1.00 0.00 C ATOM 1547 ND1 HIS A 103 12.372 -2.729 2.680 1.00 0.00 N ATOM 1548 CD2 HIS A 103 10.331 -3.120 1.887 1.00 0.00 C ATOM 1549 CE1 HIS A 103 12.459 -3.096 1.414 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.249 -3.343 0.894 1.00 0.00 N ATOM 0 H HIS A 103 11.195 -2.209 6.710 1.00 0.00 H new ATOM 0 HA HIS A 103 12.112 -0.918 4.386 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.724 -3.212 5.027 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.458 -2.235 4.311 1.00 0.00 H new ATOM 0 HD2 HIS A 103 9.259 -3.226 1.810 1.00 0.00 H new ATOM 0 HE1 HIS A 103 13.387 -3.185 0.868 1.00 0.00 H new ATOM 0 HE2 HIS A 103 11.049 -3.641 -0.061 1.00 0.00 H new ATOM 1558 N MET A 104 9.223 0.150 5.577 1.00 0.00 N ATOM 1559 CA MET A 104 8.250 1.240 5.509 1.00 0.00 C ATOM 1560 C MET A 104 8.933 2.601 5.582 1.00 0.00 C ATOM 1561 O MET A 104 8.451 3.572 5.005 1.00 0.00 O ATOM 1562 CB MET A 104 7.243 1.117 6.651 1.00 0.00 C ATOM 1563 CG MET A 104 7.894 1.197 8.013 1.00 0.00 C ATOM 1564 SD MET A 104 6.900 2.125 9.191 1.00 0.00 S ATOM 1565 CE MET A 104 5.283 1.454 8.820 1.00 0.00 C ATOM 0 H MET A 104 9.034 -0.535 6.309 1.00 0.00 H new ATOM 0 HA MET A 104 7.734 1.164 4.552 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.499 1.909 6.561 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.712 0.169 6.562 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.059 0.189 8.394 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.873 1.666 7.918 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.578 1.756 9.594 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.945 1.831 7.855 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.340 0.366 8.785 1.00 0.00 H new ATOM 1575 N LEU A 105 10.037 2.672 6.321 1.00 0.00 N ATOM 1576 CA LEU A 105 10.777 3.918 6.477 1.00 0.00 C ATOM 1577 C LEU A 105 11.755 4.122 5.332 1.00 0.00 C ATOM 1578 O LEU A 105 12.332 5.199 5.180 1.00 0.00 O ATOM 1579 CB LEU A 105 11.552 3.909 7.795 1.00 0.00 C ATOM 1580 CG LEU A 105 10.706 3.658 9.039 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.589 3.540 10.271 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.689 4.769 9.205 1.00 0.00 C ATOM 0 H LEU A 105 10.438 1.879 6.821 1.00 0.00 H new ATOM 0 HA LEU A 105 10.055 4.734 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.325 3.143 7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.060 4.867 7.907 1.00 0.00 H new ATOM 0 HG LEU A 105 10.172 2.715 8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.967 3.361 11.148 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.283 2.710 10.143 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.150 4.465 10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.089 4.583 10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.206 5.723 9.309 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.040 4.802 8.330 1.00 0.00 H new ATOM 1594 N GLU A 106 11.955 3.076 4.545 1.00 0.00 N ATOM 1595 CA GLU A 106 12.928 3.121 3.468 1.00 0.00 C ATOM 1596 C GLU A 106 12.278 3.124 2.081 1.00 0.00 C ATOM 1597 O GLU A 106 12.971 3.274 1.075 1.00 0.00 O ATOM 1598 CB GLU A 106 13.890 1.932 3.601 1.00 0.00 C ATOM 1599 CG GLU A 106 13.504 0.723 2.763 1.00 0.00 C ATOM 1600 CD GLU A 106 14.462 -0.439 2.939 1.00 0.00 C ATOM 1601 OE1 GLU A 106 14.609 -0.918 4.082 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.066 -0.868 1.934 1.00 0.00 O ATOM 0 H GLU A 106 11.458 2.190 4.632 1.00 0.00 H new ATOM 0 HA GLU A 106 13.475 4.060 3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.891 2.255 3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.939 1.634 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.498 0.404 3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.475 1.009 1.712 1.00 0.00 H new ATOM 1609 N SER A 107 10.959 2.961 2.020 1.00 0.00 N ATOM 1610 CA SER A 107 10.271 2.924 0.731 1.00 0.00 C ATOM 1611 C SER A 107 8.868 3.528 0.811 1.00 0.00 C ATOM 1612 O SER A 107 8.140 3.301 1.777 1.00 0.00 O ATOM 1613 CB SER A 107 10.184 1.484 0.236 1.00 0.00 C ATOM 1614 OG SER A 107 10.328 1.412 -1.172 1.00 0.00 O ATOM 0 H SER A 107 10.353 2.854 2.833 1.00 0.00 H new ATOM 0 HA SER A 107 10.850 3.526 0.030 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.960 0.886 0.714 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.226 1.055 0.528 1.00 0.00 H new ATOM 0 HG SER A 107 10.270 0.477 -1.459 1.00 0.00 H new ATOM 1620 N PRO A 108 8.460 4.290 -0.223 1.00 0.00 N ATOM 1621 CA PRO A 108 7.133 4.909 -0.274 1.00 0.00 C ATOM 1622 C PRO A 108 6.046 3.904 -0.640 1.00 0.00 C ATOM 1623 O PRO A 108 4.879 4.264 -0.804 1.00 0.00 O ATOM 1624 CB PRO A 108 7.284 5.957 -1.373 1.00 0.00 C ATOM 1625 CG PRO A 108 8.309 5.387 -2.292 1.00 0.00 C ATOM 1626 CD PRO A 108 9.261 4.607 -1.424 1.00 0.00 C ATOM 0 HA PRO A 108 6.829 5.320 0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.340 6.130 -1.889 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.605 6.916 -0.966 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.847 4.743 -3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 108 8.832 6.177 -2.831 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.609 3.703 -1.923 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.145 5.193 -1.173 1.00 0.00 H new ATOM 1634 N GLU A 109 6.442 2.644 -0.776 1.00 0.00 N ATOM 1635 CA GLU A 109 5.512 1.573 -1.119 1.00 0.00 C ATOM 1636 C GLU A 109 5.528 0.491 -0.052 1.00 0.00 C ATOM 1637 O GLU A 109 4.576 -0.271 0.086 1.00 0.00 O ATOM 1638 CB GLU A 109 5.883 0.971 -2.473 1.00 0.00 C ATOM 1639 CG GLU A 109 5.870 1.979 -3.612 1.00 0.00 C ATOM 1640 CD GLU A 109 6.367 1.390 -4.917 1.00 0.00 C ATOM 1641 OE1 GLU A 109 7.513 0.890 -4.945 1.00 0.00 O ATOM 1642 OE2 GLU A 109 5.613 1.429 -5.911 1.00 0.00 O ATOM 0 H GLU A 109 7.407 2.337 -0.653 1.00 0.00 H new ATOM 0 HA GLU A 109 4.508 1.993 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.876 0.526 -2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.188 0.164 -2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.856 2.353 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.491 2.833 -3.343 1.00 0.00 H new ATOM 1649 N SER A 110 6.621 0.427 0.697 1.00 0.00 N ATOM 1650 CA SER A 110 6.746 -0.533 1.783 1.00 0.00 C ATOM 1651 C SER A 110 5.724 -0.237 2.852 1.00 0.00 C ATOM 1652 O SER A 110 4.918 -1.082 3.217 1.00 0.00 O ATOM 1653 CB SER A 110 8.136 -0.450 2.406 1.00 0.00 C ATOM 1654 OG SER A 110 8.583 0.889 2.428 1.00 0.00 O ATOM 0 H SER A 110 7.434 1.030 0.571 1.00 0.00 H new ATOM 0 HA SER A 110 6.584 -1.531 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.112 -0.849 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.834 -1.065 1.838 1.00 0.00 H new ATOM 0 HG SER A 110 9.529 0.914 2.683 1.00 0.00 H new ATOM 1660 N LEU A 111 5.779 0.978 3.356 1.00 0.00 N ATOM 1661 CA LEU A 111 4.886 1.405 4.409 1.00 0.00 C ATOM 1662 C LEU A 111 3.432 1.128 4.061 1.00 0.00 C ATOM 1663 O LEU A 111 2.607 0.924 4.946 1.00 0.00 O ATOM 1664 CB LEU A 111 5.084 2.889 4.678 1.00 0.00 C ATOM 1665 CG LEU A 111 4.267 3.430 5.837 1.00 0.00 C ATOM 1666 CD1 LEU A 111 5.093 4.409 6.649 1.00 0.00 C ATOM 1667 CD2 LEU A 111 2.994 4.073 5.319 1.00 0.00 C ATOM 0 H LEU A 111 6.440 1.692 3.049 1.00 0.00 H new ATOM 0 HA LEU A 111 5.125 0.833 5.306 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.140 3.072 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.828 3.447 3.777 1.00 0.00 H new ATOM 0 HG LEU A 111 3.985 2.607 6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.495 4.790 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.976 3.903 7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.403 5.239 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.414 4.458 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.248 4.892 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.405 3.331 4.781 1.00 0.00 H new ATOM 1679 N ARG A 112 3.121 1.119 2.773 1.00 0.00 N ATOM 1680 CA ARG A 112 1.755 0.878 2.330 1.00 0.00 C ATOM 1681 C ARG A 112 1.503 -0.613 2.112 1.00 0.00 C ATOM 1682 O ARG A 112 0.642 -1.203 2.759 1.00 0.00 O ATOM 1683 CB ARG A 112 1.470 1.668 1.048 1.00 0.00 C ATOM 1684 CG ARG A 112 0.563 0.949 0.064 1.00 0.00 C ATOM 1685 CD ARG A 112 0.199 1.841 -1.112 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.672 1.160 -2.067 1.00 0.00 N ATOM 1687 CZ ARG A 112 -1.974 0.972 -1.875 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -2.556 1.414 -0.768 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -2.697 0.342 -2.791 1.00 0.00 N ATOM 0 H ARG A 112 3.791 1.275 2.020 1.00 0.00 H new ATOM 0 HA ARG A 112 1.076 1.219 3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.014 2.621 1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.416 1.894 0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.060 0.050 -0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.346 0.627 0.573 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.297 2.739 -0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.109 2.164 -1.618 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.258 0.809 -2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.004 1.900 -0.061 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.555 1.268 -0.624 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.254 0.001 -3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.696 0.198 -2.642 1.00 0.00 H new ATOM 1703 N SER A 113 2.256 -1.212 1.196 1.00 0.00 N ATOM 1704 CA SER A 113 2.105 -2.630 0.884 1.00 0.00 C ATOM 1705 C SER A 113 2.254 -3.486 2.137 1.00 0.00 C ATOM 1706 O SER A 113 1.612 -4.527 2.267 1.00 0.00 O ATOM 1707 CB SER A 113 3.139 -3.056 -0.161 1.00 0.00 C ATOM 1708 OG SER A 113 2.843 -2.498 -1.429 1.00 0.00 O ATOM 0 H SER A 113 2.979 -0.737 0.655 1.00 0.00 H new ATOM 0 HA SER A 113 1.103 -2.780 0.481 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.133 -2.739 0.156 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.159 -4.143 -0.235 1.00 0.00 H new ATOM 0 HG SER A 113 3.519 -2.784 -2.078 1.00 0.00 H new ATOM 1714 N LYS A 114 3.129 -3.056 3.039 1.00 0.00 N ATOM 1715 CA LYS A 114 3.360 -3.781 4.283 1.00 0.00 C ATOM 1716 C LYS A 114 2.259 -3.486 5.290 1.00 0.00 C ATOM 1717 O LYS A 114 1.896 -4.348 6.086 1.00 0.00 O ATOM 1718 CB LYS A 114 4.726 -3.433 4.873 1.00 0.00 C ATOM 1719 CG LYS A 114 5.875 -3.698 3.917 1.00 0.00 C ATOM 1720 CD LYS A 114 7.156 -4.038 4.661 1.00 0.00 C ATOM 1721 CE LYS A 114 8.032 -4.986 3.858 1.00 0.00 C ATOM 1722 NZ LYS A 114 7.234 -6.050 3.187 1.00 0.00 N ATOM 0 H LYS A 114 3.689 -2.210 2.933 1.00 0.00 H new ATOM 0 HA LYS A 114 3.347 -4.847 4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.734 -2.381 5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.879 -4.011 5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.612 -4.519 3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.039 -2.820 3.292 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.708 -3.123 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 114 6.911 -4.493 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 114 8.585 -4.421 3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.768 -5.446 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.840 -6.875 3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.443 -6.330 3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.861 -5.688 2.286 1.00 0.00 H new ATOM 1736 N VAL A 115 1.728 -2.266 5.252 1.00 0.00 N ATOM 1737 CA VAL A 115 0.633 -1.900 6.146 1.00 0.00 C ATOM 1738 C VAL A 115 -0.611 -2.706 5.783 1.00 0.00 C ATOM 1739 O VAL A 115 -1.171 -3.409 6.623 1.00 0.00 O ATOM 1740 CB VAL A 115 0.326 -0.381 6.111 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.170 -0.109 6.080 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.954 0.309 7.307 1.00 0.00 C ATOM 0 H VAL A 115 2.033 -1.524 4.622 1.00 0.00 H new ATOM 0 HA VAL A 115 0.940 -2.135 7.165 1.00 0.00 H new ATOM 0 HB VAL A 115 0.757 0.021 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.344 0.967 6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.605 -0.567 5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.635 -0.532 6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.731 1.375 7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.549 -0.115 8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.034 0.163 7.285 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.997 -2.644 4.510 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.145 -3.396 4.019 1.00 0.00 C ATOM 1754 C ASP A 116 -1.961 -4.885 4.293 1.00 0.00 C ATOM 1755 O ASP A 116 -2.921 -5.597 4.588 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.332 -3.148 2.520 1.00 0.00 C ATOM 1757 CG ASP A 116 -2.536 -4.429 1.731 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.644 -5.000 1.799 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -1.585 -4.861 1.045 1.00 0.00 O ATOM 0 H ASP A 116 -0.529 -2.079 3.801 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.038 -3.057 4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.191 -2.494 2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.459 -2.623 2.132 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.717 -5.346 4.192 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.397 -6.741 4.459 1.00 0.00 C ATOM 1766 C GLU A 117 -0.416 -7.000 5.957 1.00 0.00 C ATOM 1767 O GLU A 117 -0.736 -8.101 6.406 1.00 0.00 O ATOM 1768 CB GLU A 117 0.974 -7.094 3.882 1.00 0.00 C ATOM 1769 CG GLU A 117 0.924 -7.563 2.438 1.00 0.00 C ATOM 1770 CD GLU A 117 1.350 -9.009 2.278 1.00 0.00 C ATOM 1771 OE1 GLU A 117 0.563 -9.904 2.652 1.00 0.00 O ATOM 1772 OE2 GLU A 117 2.469 -9.246 1.778 1.00 0.00 O ATOM 0 H GLU A 117 0.084 -4.772 3.927 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.147 -7.370 3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.623 -6.221 3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.426 -7.875 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.090 -7.443 2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.571 -6.929 1.832 1.00 0.00 H new ATOM 1779 N ALA A 118 -0.086 -5.968 6.727 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.119 -6.067 8.176 1.00 0.00 C ATOM 1781 C ALA A 118 -1.559 -6.107 8.651 1.00 0.00 C ATOM 1782 O ALA A 118 -1.845 -6.557 9.756 1.00 0.00 O ATOM 1783 CB ALA A 118 0.632 -4.915 8.825 1.00 0.00 C ATOM 0 H ALA A 118 0.206 -5.058 6.370 1.00 0.00 H new ATOM 0 HA ALA A 118 0.380 -6.989 8.473 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.589 -5.018 9.909 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.672 -4.930 8.500 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.174 -3.971 8.531 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.466 -5.650 7.792 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.886 -5.698 8.091 1.00 0.00 C ATOM 1791 C VAL A 119 -4.356 -7.135 8.100 1.00 0.00 C ATOM 1792 O VAL A 119 -5.026 -7.578 9.028 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.715 -4.927 7.068 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.150 -4.814 7.549 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.106 -3.563 6.811 1.00 0.00 C ATOM 0 H VAL A 119 -2.239 -5.243 6.885 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.025 -5.235 9.068 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.715 -5.469 6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.737 -4.263 6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.571 -5.811 7.675 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.174 -4.287 8.503 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.710 -3.027 6.079 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.076 -2.997 7.742 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.093 -3.683 6.427 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.994 -7.855 7.050 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.327 -9.259 6.938 1.00 0.00 C ATOM 1807 C ALA A 120 -3.753 -10.016 8.126 1.00 0.00 C ATOM 1808 O ALA A 120 -4.286 -11.042 8.553 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.782 -9.812 5.632 1.00 0.00 C ATOM 0 H ALA A 120 -3.466 -7.484 6.260 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.410 -9.381 6.939 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.035 -10.869 5.551 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.221 -9.269 4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.698 -9.695 5.611 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.669 -9.473 8.667 1.00 0.00 N ATOM 1816 CA VAL A 121 -2.001 -10.047 9.821 1.00 0.00 C ATOM 1817 C VAL A 121 -2.656 -9.564 11.112 1.00 0.00 C ATOM 1818 O VAL A 121 -2.702 -10.286 12.109 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.505 -9.670 9.815 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.106 -9.808 11.198 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.248 -10.519 8.802 1.00 0.00 C ATOM 0 H VAL A 121 -2.231 -8.622 8.315 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.092 -11.132 9.768 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.420 -8.623 9.523 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.161 -9.535 11.159 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.414 -9.149 11.893 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.011 -10.840 11.537 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.302 -10.243 8.808 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.147 -11.572 9.064 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.165 -10.351 7.808 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.171 -8.338 11.078 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.851 -7.757 12.227 1.00 0.00 C ATOM 1833 C LEU A 122 -5.183 -8.466 12.453 1.00 0.00 C ATOM 1834 O LEU A 122 -5.558 -8.769 13.585 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.065 -6.252 12.011 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.517 -5.767 12.085 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.808 -5.168 13.452 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.800 -4.755 10.988 1.00 0.00 C ATOM 0 H LEU A 122 -3.129 -7.727 10.262 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.232 -7.889 13.114 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.483 -5.711 12.757 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.661 -5.983 11.035 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.174 -6.624 11.937 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.843 -4.829 13.488 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.647 -5.923 14.222 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.143 -4.323 13.628 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.836 -4.423 11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.136 -3.898 11.103 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.632 -5.217 10.015 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.881 -8.731 11.356 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.162 -9.417 11.402 1.00 0.00 C ATOM 1852 C GLN A 123 -6.972 -10.870 11.819 1.00 0.00 C ATOM 1853 O GLN A 123 -7.856 -11.477 12.419 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.844 -9.342 10.033 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.272 -7.936 9.643 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.779 -7.782 9.582 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.412 -7.367 10.552 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.363 -8.121 8.437 1.00 0.00 N ATOM 0 H GLN A 123 -5.576 -8.478 10.416 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.797 -8.927 12.140 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.163 -9.729 9.275 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.719 -9.992 10.036 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.866 -7.224 10.362 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.845 -7.686 8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.799 -8.461 7.658 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.375 -8.041 8.338 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.795 -11.412 11.511 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.465 -12.788 11.866 1.00 0.00 C ATOM 1869 C ALA A 124 -4.900 -12.864 13.279 1.00 0.00 C ATOM 1870 O ALA A 124 -4.777 -13.947 13.853 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.471 -13.364 10.870 1.00 0.00 C ATOM 0 H ALA A 124 -5.054 -10.917 11.015 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.381 -13.378 11.833 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.233 -14.391 11.146 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.907 -13.348 9.871 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.560 -12.766 10.878 1.00 0.00 H new