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 103 HIS : no HD1:sc= -0.897 X(o=-1.6,f=-2!) USER MOD Set 1.2: A 110 SER OG : rot 110:sc= -0.67 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= -0.302 USER MOD Set 2.2: A 57 MET CE :methyl -175:sc= -0.51 (180deg=-0.625) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0393 USER MOD Single : A 60 SER OG : rot -19:sc= 0.148 USER MOD Single : A 66 GLN : amide:sc= -0.0333 X(o=-0.033,f=-0.31) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 69 MET CE :methyl 134:sc= -3.07! (180deg=-4.51!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 177:sc= -1.06 (180deg=-1.13) USER MOD Single : A 82 HIS : no HD1:sc= -5.15! C(o=-5.1!,f=-8.4!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.651 USER MOD Single : A 88 LYS NZ :NH3+ -118:sc= 0.906 (180deg=-0.224) USER MOD Single : A 90 THR OG1 : rot -100:sc= -2.17! USER MOD Single : A 92 MET CE :methyl 147:sc= -0.749 (180deg=-3.03!) USER MOD Single : A 98 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 157:sc= -7.02! (180deg=-8.06!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 157:sc= -1.49 (180deg=-2.96!) USER MOD Single : A 123 GLN : amide:sc= -0.607 K(o=-0.61,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.538 8.920 3.876 1.00 0.00 N ATOM 766 CA LEU A 53 1.890 8.921 4.421 1.00 0.00 C ATOM 767 C LEU A 53 2.661 7.687 3.962 1.00 0.00 C ATOM 768 O LEU A 53 2.068 6.656 3.645 1.00 0.00 O ATOM 769 CB LEU A 53 1.843 8.958 5.949 1.00 0.00 C ATOM 770 CG LEU A 53 2.865 9.878 6.617 1.00 0.00 C ATOM 771 CD1 LEU A 53 2.181 11.109 7.193 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.619 9.133 7.707 1.00 0.00 C ATOM 0 HA LEU A 53 2.403 9.810 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.845 9.269 6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.992 7.946 6.324 1.00 0.00 H new ATOM 0 HG LEU A 53 3.580 10.203 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.925 11.752 7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.683 11.657 6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.444 10.802 7.935 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.342 9.803 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.915 8.780 8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.141 8.281 7.271 1.00 0.00 H new ATOM 784 N THR A 54 3.984 7.804 3.932 1.00 0.00 N ATOM 785 CA THR A 54 4.849 6.701 3.532 1.00 0.00 C ATOM 786 C THR A 54 6.303 7.059 3.801 1.00 0.00 C ATOM 787 O THR A 54 6.587 8.061 4.455 1.00 0.00 O ATOM 788 CB THR A 54 4.658 6.360 2.052 1.00 0.00 C ATOM 789 OG1 THR A 54 3.887 7.354 1.401 1.00 0.00 O ATOM 790 CG2 THR A 54 3.977 5.026 1.829 1.00 0.00 C ATOM 0 H THR A 54 4.483 8.658 4.182 1.00 0.00 H new ATOM 0 HA THR A 54 4.578 5.824 4.120 1.00 0.00 H new ATOM 0 HB THR A 54 5.664 6.310 1.635 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.778 7.117 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.872 4.845 0.759 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.577 4.232 2.274 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.991 5.039 2.293 1.00 0.00 H new ATOM 798 N ALA A 55 7.220 6.249 3.289 1.00 0.00 N ATOM 799 CA ALA A 55 8.641 6.488 3.495 1.00 0.00 C ATOM 800 C ALA A 55 9.041 7.886 3.031 1.00 0.00 C ATOM 801 O ALA A 55 9.962 8.489 3.580 1.00 0.00 O ATOM 802 CB ALA A 55 9.467 5.437 2.780 1.00 0.00 C ATOM 0 H ALA A 55 7.006 5.423 2.730 1.00 0.00 H new ATOM 0 HA ALA A 55 8.838 6.420 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.527 5.632 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.215 4.450 3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.254 5.472 1.712 1.00 0.00 H new ATOM 808 N SER A 56 8.346 8.392 2.017 1.00 0.00 N ATOM 809 CA SER A 56 8.627 9.724 1.491 1.00 0.00 C ATOM 810 C SER A 56 8.272 10.792 2.518 1.00 0.00 C ATOM 811 O SER A 56 9.078 11.675 2.814 1.00 0.00 O ATOM 812 CB SER A 56 7.846 9.963 0.197 1.00 0.00 C ATOM 813 OG SER A 56 8.355 9.168 -0.859 1.00 0.00 O ATOM 0 H SER A 56 7.587 7.902 1.544 1.00 0.00 H new ATOM 0 HA SER A 56 9.694 9.787 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.793 9.731 0.356 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.903 11.017 -0.077 1.00 0.00 H new ATOM 0 HG SER A 56 7.838 9.337 -1.674 1.00 0.00 H new ATOM 819 N MET A 57 7.063 10.700 3.065 1.00 0.00 N ATOM 820 CA MET A 57 6.607 11.642 4.081 1.00 0.00 C ATOM 821 C MET A 57 7.534 11.604 5.287 1.00 0.00 C ATOM 822 O MET A 57 7.851 12.634 5.880 1.00 0.00 O ATOM 823 CB MET A 57 5.183 11.295 4.519 1.00 0.00 C ATOM 824 CG MET A 57 4.099 11.768 3.558 1.00 0.00 C ATOM 825 SD MET A 57 4.727 12.176 1.917 1.00 0.00 S ATOM 826 CE MET A 57 4.365 10.662 1.031 1.00 0.00 C ATOM 0 H MET A 57 6.381 9.982 2.821 1.00 0.00 H new ATOM 0 HA MET A 57 6.617 12.645 3.654 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.104 10.214 4.634 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.000 11.734 5.500 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.341 10.991 3.466 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.607 12.645 3.979 1.00 0.00 H new ATOM 0 HE1 MET A 57 4.774 10.724 0.023 1.00 0.00 H new ATOM 0 HE2 MET A 57 4.814 9.818 1.554 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.285 10.522 0.976 1.00 0.00 H new ATOM 836 N LEU A 58 7.959 10.399 5.640 1.00 0.00 N ATOM 837 CA LEU A 58 8.863 10.197 6.762 1.00 0.00 C ATOM 838 C LEU A 58 10.194 10.888 6.509 1.00 0.00 C ATOM 839 O LEU A 58 10.732 11.569 7.383 1.00 0.00 O ATOM 840 CB LEU A 58 9.089 8.702 6.971 1.00 0.00 C ATOM 841 CG LEU A 58 7.816 7.882 7.147 1.00 0.00 C ATOM 842 CD1 LEU A 58 8.072 6.425 6.788 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.293 8.014 8.569 1.00 0.00 C ATOM 0 H LEU A 58 7.689 9.540 5.160 1.00 0.00 H new ATOM 0 HA LEU A 58 8.414 10.629 7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.642 8.310 6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.718 8.563 7.850 1.00 0.00 H new ATOM 0 HG LEU A 58 7.052 8.267 6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.154 5.851 6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.397 6.358 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.848 6.021 7.438 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.384 7.423 8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.047 7.654 9.269 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.073 9.060 8.780 1.00 0.00 H new ATOM 855 N ALA A 59 10.715 10.708 5.303 1.00 0.00 N ATOM 856 CA ALA A 59 11.979 11.319 4.911 1.00 0.00 C ATOM 857 C ALA A 59 11.869 12.840 4.903 1.00 0.00 C ATOM 858 O ALA A 59 12.876 13.547 4.870 1.00 0.00 O ATOM 859 CB ALA A 59 12.408 10.812 3.543 1.00 0.00 C ATOM 0 H ALA A 59 10.280 10.141 4.575 1.00 0.00 H new ATOM 0 HA ALA A 59 12.736 11.037 5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.353 11.277 3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.532 9.730 3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.646 11.066 2.806 1.00 0.00 H new ATOM 865 N SER A 60 10.635 13.337 4.933 1.00 0.00 N ATOM 866 CA SER A 60 10.387 14.775 4.935 1.00 0.00 C ATOM 867 C SER A 60 10.687 15.371 6.304 1.00 0.00 C ATOM 868 O SER A 60 10.740 16.590 6.464 1.00 0.00 O ATOM 869 CB SER A 60 8.935 15.065 4.548 1.00 0.00 C ATOM 870 OG SER A 60 8.693 16.459 4.483 1.00 0.00 O ATOM 0 H SER A 60 9.791 12.764 4.956 1.00 0.00 H new ATOM 0 HA SER A 60 11.049 15.235 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.715 14.609 3.583 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.264 14.610 5.276 1.00 0.00 H new ATOM 0 HG SER A 60 9.387 16.935 4.985 1.00 0.00 H new ATOM 876 N ALA A 61 10.900 14.501 7.286 1.00 0.00 N ATOM 877 CA ALA A 61 11.197 14.928 8.638 1.00 0.00 C ATOM 878 C ALA A 61 12.383 14.149 9.196 1.00 0.00 C ATOM 879 O ALA A 61 12.378 12.918 9.189 1.00 0.00 O ATOM 880 CB ALA A 61 9.975 14.736 9.526 1.00 0.00 C ATOM 0 H ALA A 61 10.871 13.489 7.163 1.00 0.00 H new ATOM 0 HA ALA A 61 11.458 15.986 8.620 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.208 15.060 10.540 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.146 15.328 9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.695 13.683 9.537 1.00 0.00 H new ATOM 946 N GLN A 66 10.520 10.924 11.923 1.00 0.00 N ATOM 947 CA GLN A 66 10.978 9.778 11.146 1.00 0.00 C ATOM 948 C GLN A 66 10.793 8.489 11.935 1.00 0.00 C ATOM 949 O GLN A 66 10.466 7.443 11.373 1.00 0.00 O ATOM 950 CB GLN A 66 12.448 9.946 10.762 1.00 0.00 C ATOM 951 CG GLN A 66 12.696 9.851 9.267 1.00 0.00 C ATOM 952 CD GLN A 66 13.608 8.698 8.899 1.00 0.00 C ATOM 953 OE1 GLN A 66 13.516 7.611 9.469 1.00 0.00 O ATOM 954 NE2 GLN A 66 14.494 8.929 7.937 1.00 0.00 N ATOM 0 HA GLN A 66 10.380 9.722 10.237 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.801 10.913 11.121 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.038 9.183 11.270 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.743 9.734 8.751 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.136 10.784 8.916 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.536 9.846 7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.133 8.190 7.644 1.00 0.00 H new ATOM 963 N LYS A 67 10.990 8.580 13.244 1.00 0.00 N ATOM 964 CA LYS A 67 10.835 7.430 14.126 1.00 0.00 C ATOM 965 C LYS A 67 9.689 7.657 15.107 1.00 0.00 C ATOM 966 O LYS A 67 9.707 7.148 16.227 1.00 0.00 O ATOM 967 CB LYS A 67 12.134 7.163 14.894 1.00 0.00 C ATOM 968 CG LYS A 67 13.353 7.851 14.299 1.00 0.00 C ATOM 969 CD LYS A 67 14.435 6.847 13.934 1.00 0.00 C ATOM 970 CE LYS A 67 15.770 7.215 14.561 1.00 0.00 C ATOM 971 NZ LYS A 67 16.894 6.438 13.969 1.00 0.00 N ATOM 0 H LYS A 67 11.258 9.441 13.720 1.00 0.00 H new ATOM 0 HA LYS A 67 10.604 6.560 13.512 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.010 7.493 15.925 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.313 6.088 14.923 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.059 8.410 13.411 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.750 8.572 15.013 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.137 5.853 14.267 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.541 6.802 12.850 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.954 8.281 14.425 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.729 7.034 15.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.787 6.718 14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.732 5.422 14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.950 6.631 12.948 1.00 0.00 H new ATOM 985 N GLN A 68 8.694 8.430 14.678 1.00 0.00 N ATOM 986 CA GLN A 68 7.543 8.733 15.521 1.00 0.00 C ATOM 987 C GLN A 68 6.240 8.656 14.728 1.00 0.00 C ATOM 988 O GLN A 68 5.337 7.897 15.077 1.00 0.00 O ATOM 989 CB GLN A 68 7.692 10.125 16.137 1.00 0.00 C ATOM 990 CG GLN A 68 8.856 10.242 17.107 1.00 0.00 C ATOM 991 CD GLN A 68 8.435 10.042 18.551 1.00 0.00 C ATOM 992 OE1 GLN A 68 7.915 8.989 18.919 1.00 0.00 O ATOM 993 NE2 GLN A 68 8.661 11.056 19.378 1.00 0.00 N ATOM 0 H GLN A 68 8.663 8.857 13.752 1.00 0.00 H new ATOM 0 HA GLN A 68 7.505 7.987 16.315 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.822 10.854 15.338 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.770 10.383 16.657 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.615 9.504 16.848 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.316 11.224 16.999 1.00 0.00 H new ATOM 0 HE21 GLN A 68 9.095 11.911 19.030 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.401 10.980 20.361 1.00 0.00 H new ATOM 1002 N MET A 69 6.150 9.444 13.659 1.00 0.00 N ATOM 1003 CA MET A 69 4.946 9.482 12.837 1.00 0.00 C ATOM 1004 C MET A 69 4.814 8.236 11.961 1.00 0.00 C ATOM 1005 O MET A 69 3.781 8.028 11.325 1.00 0.00 O ATOM 1006 CB MET A 69 4.940 10.737 11.959 1.00 0.00 C ATOM 1007 CG MET A 69 5.914 10.680 10.790 1.00 0.00 C ATOM 1008 SD MET A 69 5.350 11.640 9.371 1.00 0.00 S ATOM 1009 CE MET A 69 6.887 12.386 8.830 1.00 0.00 C ATOM 0 H MET A 69 6.896 10.064 13.343 1.00 0.00 H new ATOM 0 HA MET A 69 4.092 9.507 13.514 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.933 10.892 11.572 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.181 11.602 12.577 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.886 11.053 11.113 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.055 9.642 10.489 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.978 12.288 7.748 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.894 13.442 9.100 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.725 11.883 9.312 1.00 0.00 H new ATOM 1019 N LEU A 70 5.855 7.409 11.933 1.00 0.00 N ATOM 1020 CA LEU A 70 5.836 6.192 11.121 1.00 0.00 C ATOM 1021 C LEU A 70 4.679 5.280 11.515 1.00 0.00 C ATOM 1022 O LEU A 70 4.039 4.672 10.658 1.00 0.00 O ATOM 1023 CB LEU A 70 7.156 5.414 11.231 1.00 0.00 C ATOM 1024 CG LEU A 70 8.049 5.738 12.438 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.267 5.692 13.742 1.00 0.00 C ATOM 1026 CD2 LEU A 70 9.212 4.761 12.495 1.00 0.00 C ATOM 0 H LEU A 70 6.717 7.556 12.458 1.00 0.00 H new ATOM 0 HA LEU A 70 5.703 6.511 10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.923 4.350 11.256 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.733 5.592 10.323 1.00 0.00 H new ATOM 0 HG LEU A 70 8.428 6.752 12.313 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.932 5.926 14.573 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.458 6.422 13.707 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.850 4.695 13.881 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.842 4.995 13.353 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.829 3.745 12.593 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.800 4.841 11.580 1.00 0.00 H new ATOM 1038 N GLY A 71 4.430 5.166 12.815 1.00 0.00 N ATOM 1039 CA GLY A 71 3.358 4.313 13.285 1.00 0.00 C ATOM 1040 C GLY A 71 2.523 4.970 14.368 1.00 0.00 C ATOM 1041 O GLY A 71 1.944 4.287 15.214 1.00 0.00 O ATOM 0 H GLY A 71 4.950 5.648 13.548 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.715 4.048 12.446 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.779 3.384 13.669 1.00 0.00 H new ATOM 1045 N GLU A 72 2.461 6.299 14.343 1.00 0.00 N ATOM 1046 CA GLU A 72 1.690 7.048 15.330 1.00 0.00 C ATOM 1047 C GLU A 72 0.982 8.238 14.686 1.00 0.00 C ATOM 1048 O GLU A 72 0.280 8.992 15.360 1.00 0.00 O ATOM 1049 CB GLU A 72 2.601 7.537 16.459 1.00 0.00 C ATOM 1050 CG GLU A 72 3.349 6.421 17.170 1.00 0.00 C ATOM 1051 CD GLU A 72 3.720 6.781 18.596 1.00 0.00 C ATOM 1052 OE1 GLU A 72 4.019 7.967 18.851 1.00 0.00 O ATOM 1053 OE2 GLU A 72 3.713 5.877 19.457 1.00 0.00 O ATOM 0 H GLU A 72 2.935 6.878 13.650 1.00 0.00 H new ATOM 0 HA GLU A 72 0.935 6.378 15.742 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.324 8.243 16.050 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.001 8.081 17.188 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.733 5.522 17.175 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.255 6.183 16.612 1.00 0.00 H new ATOM 1060 N ARG A 73 1.178 8.404 13.381 1.00 0.00 N ATOM 1061 CA ARG A 73 0.553 9.496 12.646 1.00 0.00 C ATOM 1062 C ARG A 73 -0.137 8.974 11.393 1.00 0.00 C ATOM 1063 O ARG A 73 -1.049 9.610 10.863 1.00 0.00 O ATOM 1064 CB ARG A 73 1.594 10.550 12.268 1.00 0.00 C ATOM 1065 CG ARG A 73 1.029 11.959 12.184 1.00 0.00 C ATOM 1066 CD ARG A 73 0.531 12.275 10.784 1.00 0.00 C ATOM 1067 NE ARG A 73 -0.707 13.050 10.807 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.746 14.378 10.848 1.00 0.00 C ATOM 1069 NH1 ARG A 73 0.381 15.079 10.871 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -1.912 15.009 10.866 1.00 0.00 N ATOM 0 H ARG A 73 1.765 7.795 12.812 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.196 9.955 13.291 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.399 10.533 13.002 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.034 10.286 11.306 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.211 12.067 12.896 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.797 12.678 12.469 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.297 12.831 10.243 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.367 11.345 10.239 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.592 12.543 10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.281 14.599 10.857 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.347 16.098 10.902 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.781 14.475 10.848 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.940 16.028 10.897 1.00 0.00 H new ATOM 1084 N LEU A 74 0.302 7.810 10.925 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.294 7.184 9.753 1.00 0.00 C ATOM 1086 C LEU A 74 -1.662 6.622 10.094 1.00 0.00 C ATOM 1087 O LEU A 74 -2.484 6.390 9.214 1.00 0.00 O ATOM 1088 CB LEU A 74 0.599 6.057 9.240 1.00 0.00 C ATOM 1089 CG LEU A 74 1.405 6.389 7.995 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.790 5.774 8.089 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.678 5.909 6.747 1.00 0.00 C ATOM 0 H LEU A 74 1.069 7.282 11.341 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.398 7.943 8.978 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.288 5.770 10.034 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.024 5.188 9.029 1.00 0.00 H new ATOM 0 HG LEU A 74 1.515 7.471 7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.358 6.018 7.192 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.305 6.170 8.964 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.702 4.691 8.179 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.269 6.155 5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.537 4.829 6.800 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.294 6.399 6.681 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.876 6.391 11.384 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.120 5.814 11.889 1.00 0.00 C ATOM 1105 C PHE A 75 -4.358 6.336 11.141 1.00 0.00 C ATOM 1106 O PHE A 75 -5.119 5.544 10.578 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.240 6.087 13.393 1.00 0.00 C ATOM 1108 CG PHE A 75 -4.014 5.047 14.152 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -3.939 3.707 13.801 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -4.790 5.406 15.241 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -4.638 2.751 14.511 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -5.493 4.453 15.954 1.00 0.00 C ATOM 1113 CZ PHE A 75 -5.421 3.124 15.586 1.00 0.00 C ATOM 0 H PHE A 75 -1.192 6.598 12.112 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.082 4.739 11.714 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.239 6.159 13.818 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.718 7.056 13.537 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.327 3.408 12.963 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.847 6.443 15.537 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.572 1.711 14.226 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.098 4.748 16.798 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.975 2.379 16.137 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.585 7.668 11.108 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.747 8.242 10.418 1.00 0.00 C ATOM 1125 C PRO A 76 -5.645 8.115 8.901 1.00 0.00 C ATOM 1126 O PRO A 76 -6.650 8.187 8.193 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.720 9.714 10.833 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.293 9.988 11.156 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.750 8.712 11.735 1.00 0.00 C ATOM 0 HA PRO A 76 -6.670 7.728 10.685 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.075 10.359 10.029 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.363 9.895 11.694 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.739 10.279 10.263 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.204 10.809 11.868 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.695 8.580 11.496 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.835 8.696 12.822 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.426 7.921 8.408 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.191 7.799 6.974 1.00 0.00 C ATOM 1139 C LEU A 77 -4.318 6.352 6.504 1.00 0.00 C ATOM 1140 O LEU A 77 -4.509 6.098 5.315 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.812 8.355 6.613 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.677 9.877 6.738 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.277 10.321 6.352 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.718 10.580 5.877 1.00 0.00 C ATOM 0 H LEU A 77 -3.585 7.845 8.981 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.956 8.382 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.067 7.885 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.577 8.067 5.588 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.850 10.153 7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.200 11.404 6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.550 9.846 7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.075 10.032 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.606 11.659 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.578 10.298 4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.716 10.287 6.201 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.213 5.404 7.434 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.364 3.994 7.087 1.00 0.00 C ATOM 1158 C ILE A 78 -5.825 3.680 6.824 1.00 0.00 C ATOM 1159 O ILE A 78 -6.153 2.926 5.908 1.00 0.00 O ATOM 1160 CB ILE A 78 -3.851 3.057 8.189 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.469 3.498 8.680 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.808 1.624 7.681 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.362 3.281 7.672 1.00 0.00 C ATOM 0 H ILE A 78 -4.026 5.584 8.421 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.764 3.824 6.193 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.539 3.107 9.033 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.507 4.556 8.941 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.228 2.953 9.593 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.442 0.969 8.471 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.810 1.312 7.386 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.141 1.563 6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.415 3.618 8.094 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.294 2.221 7.429 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.578 3.848 6.766 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.700 4.290 7.618 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.139 4.125 7.438 1.00 0.00 C ATOM 1177 C GLN A 79 -8.525 4.462 6.002 1.00 0.00 C ATOM 1178 O GLN A 79 -9.611 4.120 5.534 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.896 5.036 8.404 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.412 4.322 9.641 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.388 5.203 10.875 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -8.825 4.833 11.905 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -10.000 6.378 10.775 1.00 0.00 N ATOM 0 H GLN A 79 -6.439 4.902 8.391 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.404 3.088 7.646 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.239 5.849 8.713 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.738 5.488 7.879 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.432 3.983 9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.807 3.433 9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.454 6.644 9.901 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.016 7.014 11.572 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.616 5.143 5.316 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.813 5.526 3.924 1.00 0.00 C ATOM 1194 C ALA A 80 -7.500 4.364 2.989 1.00 0.00 C ATOM 1195 O ALA A 80 -8.166 4.179 1.970 1.00 0.00 O ATOM 1196 CB ALA A 80 -6.929 6.716 3.581 1.00 0.00 C ATOM 0 H ALA A 80 -6.724 5.445 5.708 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.859 5.802 3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.083 6.995 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.186 7.558 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.883 6.449 3.734 1.00 0.00 H new ATOM 1202 N MET A 81 -6.463 3.602 3.326 1.00 0.00 N ATOM 1203 CA MET A 81 -6.057 2.462 2.509 1.00 0.00 C ATOM 1204 C MET A 81 -7.054 1.321 2.644 1.00 0.00 C ATOM 1205 O MET A 81 -7.462 0.713 1.655 1.00 0.00 O ATOM 1206 CB MET A 81 -4.665 1.973 2.921 1.00 0.00 C ATOM 1207 CG MET A 81 -3.708 3.084 3.316 1.00 0.00 C ATOM 1208 SD MET A 81 -2.611 2.601 4.658 1.00 0.00 S ATOM 1209 CE MET A 81 -1.084 2.340 3.766 1.00 0.00 C ATOM 0 H MET A 81 -5.890 3.752 4.156 1.00 0.00 H new ATOM 0 HA MET A 81 -6.029 2.789 1.470 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.768 1.282 3.758 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.230 1.411 2.095 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.113 3.372 2.450 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.280 3.962 3.616 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.291 2.087 4.469 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.213 1.524 3.055 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.816 3.250 3.229 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.431 1.034 3.882 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.363 -0.044 4.175 1.00 0.00 C ATOM 1221 C HIS A 82 -9.687 0.511 4.690 1.00 0.00 C ATOM 1222 O HIS A 82 -9.739 1.641 5.165 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.747 -0.976 5.218 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.953 -2.095 4.621 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.148 -3.396 5.011 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.981 -2.055 3.677 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.302 -4.118 4.298 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.568 -3.347 3.484 1.00 0.00 N ATOM 0 H HIS A 82 -7.102 1.538 4.706 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.560 -0.599 3.258 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.103 -0.395 5.878 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.542 -1.394 5.836 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.605 -1.176 3.175 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.213 -5.192 4.363 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.840 -3.662 2.843 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.777 -0.276 4.603 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.095 0.155 5.084 1.00 0.00 C ATOM 1238 C PRO A 83 -12.107 0.368 6.596 1.00 0.00 C ATOM 1239 O PRO A 83 -12.630 -0.458 7.345 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.019 -1.005 4.697 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.116 -2.183 4.559 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.810 -1.643 4.053 1.00 0.00 C ATOM 0 HA PRO A 83 -12.396 1.110 4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.779 -1.176 5.459 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.544 -0.798 3.765 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.985 -2.689 5.516 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.531 -2.914 3.866 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.966 -2.238 4.401 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.770 -1.640 2.964 1.00 0.00 H new ATOM 1250 N THR A 84 -11.523 1.482 7.032 1.00 0.00 N ATOM 1251 CA THR A 84 -11.434 1.813 8.452 1.00 0.00 C ATOM 1252 C THR A 84 -10.967 0.608 9.267 1.00 0.00 C ATOM 1253 O THR A 84 -11.449 0.371 10.375 1.00 0.00 O ATOM 1254 CB THR A 84 -12.784 2.314 8.976 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.853 1.801 8.199 1.00 0.00 O ATOM 1256 CG2 THR A 84 -12.903 3.822 8.978 1.00 0.00 C ATOM 0 H THR A 84 -11.101 2.176 6.416 1.00 0.00 H new ATOM 0 HA THR A 84 -10.698 2.609 8.564 1.00 0.00 H new ATOM 0 HB THR A 84 -12.840 1.957 10.005 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.704 2.133 8.554 1.00 0.00 H new ATOM 0 HG21 THR A 84 -13.882 4.109 9.360 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.126 4.247 9.613 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.786 4.198 7.961 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.026 -0.148 8.707 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.496 -1.332 9.375 1.00 0.00 C ATOM 1266 C LEU A 85 -8.235 -0.996 10.165 1.00 0.00 C ATOM 1267 O LEU A 85 -7.593 -1.881 10.732 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.188 -2.424 8.349 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.129 -3.634 8.380 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -10.097 -4.304 9.745 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -11.547 -3.218 8.020 1.00 0.00 C ATOM 0 H LEU A 85 -9.615 0.039 7.792 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.253 -1.694 10.071 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.221 -1.984 7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.168 -2.773 8.509 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.785 -4.355 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.772 -5.160 9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.083 -4.641 9.961 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.413 -3.592 10.507 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -12.200 -4.090 8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.902 -2.477 8.736 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.557 -2.789 7.018 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.887 0.286 10.192 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.708 0.752 10.910 1.00 0.00 C ATOM 1285 C ALA A 86 -6.961 0.800 12.410 1.00 0.00 C ATOM 1286 O ALA A 86 -6.938 1.869 13.020 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.294 2.124 10.401 1.00 0.00 C ATOM 0 H ALA A 86 -8.409 1.025 9.721 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.898 0.045 10.728 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.412 2.463 10.944 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.064 2.063 9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.109 2.831 10.556 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.223 -0.361 12.996 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.413 -0.440 14.428 1.00 0.00 C ATOM 1295 C GLY A 87 -6.130 -0.854 15.111 1.00 0.00 C ATOM 1296 O GLY A 87 -6.023 -0.832 16.337 1.00 0.00 O ATOM 0 H GLY A 87 -7.307 -1.250 12.503 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.740 0.527 14.811 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.201 -1.157 14.657 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.151 -1.223 14.288 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.844 -1.647 14.764 1.00 0.00 C ATOM 1302 C LYS A 88 -2.924 -1.945 13.581 1.00 0.00 C ATOM 1303 O LYS A 88 -2.080 -2.833 13.647 1.00 0.00 O ATOM 1304 CB LYS A 88 -3.977 -2.890 15.657 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.661 -3.375 16.254 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.008 -2.312 17.121 1.00 0.00 C ATOM 1307 CE LYS A 88 -0.543 -2.132 16.762 1.00 0.00 C ATOM 1308 NZ LYS A 88 0.230 -1.520 17.879 1.00 0.00 N ATOM 0 H LYS A 88 -5.245 -1.235 13.272 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.410 -0.840 15.354 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.671 -2.668 16.468 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.417 -3.698 15.073 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.840 -4.270 16.850 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.980 -3.658 15.451 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.534 -1.365 16.998 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.096 -2.591 18.171 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.110 -3.099 16.508 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.461 -1.503 15.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.619 -0.606 17.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.397 -1.373 18.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.008 -2.154 18.151 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.109 -1.226 12.477 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.281 -1.452 11.305 1.00 0.00 C ATOM 1324 C ILE A 89 -0.920 -0.765 11.443 1.00 0.00 C ATOM 1325 O ILE A 89 0.032 -1.373 11.921 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.973 -1.001 10.011 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.330 -1.699 9.875 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.081 -1.321 8.824 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.180 -1.177 8.737 1.00 0.00 C ATOM 0 H ILE A 89 -3.813 -0.495 12.373 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.123 -2.529 11.240 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.144 0.075 10.042 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.165 -2.767 9.731 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.881 -1.584 10.808 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.571 -1.001 7.904 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.131 -0.797 8.931 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.900 -2.395 8.784 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.124 -1.722 8.708 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.378 -0.116 8.888 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.651 -1.317 7.794 1.00 0.00 H new ATOM 1341 N THR A 90 -0.830 0.494 11.019 1.00 0.00 N ATOM 1342 CA THR A 90 0.423 1.252 11.105 1.00 0.00 C ATOM 1343 C THR A 90 0.986 1.219 12.522 1.00 0.00 C ATOM 1344 O THR A 90 2.197 1.107 12.711 1.00 0.00 O ATOM 1345 CB THR A 90 0.189 2.694 10.647 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.968 2.982 9.498 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.505 3.748 11.687 1.00 0.00 C ATOM 0 H THR A 90 -1.608 1.013 10.612 1.00 0.00 H new ATOM 0 HA THR A 90 1.157 0.787 10.447 1.00 0.00 H new ATOM 0 HB THR A 90 -0.880 2.744 10.441 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.770 3.479 9.763 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.309 4.737 11.273 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.121 3.592 12.565 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.555 3.675 11.972 1.00 0.00 H new ATOM 1355 N GLY A 91 0.108 1.326 13.516 1.00 0.00 N ATOM 1356 CA GLY A 91 0.555 1.249 14.892 1.00 0.00 C ATOM 1357 C GLY A 91 1.324 -0.030 15.130 1.00 0.00 C ATOM 1358 O GLY A 91 2.243 -0.081 15.948 1.00 0.00 O ATOM 0 H GLY A 91 -0.895 1.463 13.393 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.185 2.107 15.124 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.304 1.294 15.562 1.00 0.00 H new ATOM 1362 N MET A 92 0.962 -1.055 14.368 1.00 0.00 N ATOM 1363 CA MET A 92 1.636 -2.346 14.432 1.00 0.00 C ATOM 1364 C MET A 92 2.960 -2.274 13.707 1.00 0.00 C ATOM 1365 O MET A 92 3.931 -2.919 14.092 1.00 0.00 O ATOM 1366 CB MET A 92 0.772 -3.429 13.788 1.00 0.00 C ATOM 1367 CG MET A 92 0.884 -4.779 14.468 1.00 0.00 C ATOM 1368 SD MET A 92 -0.639 -5.738 14.376 1.00 0.00 S ATOM 1369 CE MET A 92 -0.766 -5.996 12.610 1.00 0.00 C ATOM 0 H MET A 92 0.198 -1.016 13.693 1.00 0.00 H new ATOM 0 HA MET A 92 1.804 -2.595 15.480 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.270 -3.109 13.805 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.057 -3.534 12.741 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.693 -5.346 14.008 1.00 0.00 H new ATOM 0 HG3 MET A 92 1.153 -4.632 15.514 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.227 -6.965 12.416 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.378 -5.209 12.170 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.229 -5.972 12.166 1.00 0.00 H new ATOM 1379 N LEU A 93 2.978 -1.473 12.653 1.00 0.00 N ATOM 1380 CA LEU A 93 4.155 -1.306 11.818 1.00 0.00 C ATOM 1381 C LEU A 93 5.342 -0.783 12.616 1.00 0.00 C ATOM 1382 O LEU A 93 6.454 -0.680 12.098 1.00 0.00 O ATOM 1383 CB LEU A 93 3.827 -0.365 10.671 1.00 0.00 C ATOM 1384 CG LEU A 93 3.184 -1.036 9.453 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.150 -2.032 8.826 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.883 -1.724 9.844 1.00 0.00 C ATOM 0 H LEU A 93 2.175 -0.920 12.353 1.00 0.00 H new ATOM 0 HA LEU A 93 4.439 -2.281 11.422 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.155 0.411 11.037 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.744 0.131 10.353 1.00 0.00 H new ATOM 0 HG LEU A 93 2.954 -0.267 8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.679 -2.501 7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.054 -1.512 8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.409 -2.797 9.558 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.442 -2.194 8.965 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.086 -2.484 10.599 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.189 -0.987 10.248 1.00 0.00 H new ATOM 1398 N LEU A 94 5.102 -0.466 13.878 1.00 0.00 N ATOM 1399 CA LEU A 94 6.162 -0.030 14.765 1.00 0.00 C ATOM 1400 C LEU A 94 6.418 -1.110 15.803 1.00 0.00 C ATOM 1401 O LEU A 94 6.846 -0.833 16.924 1.00 0.00 O ATOM 1402 CB LEU A 94 5.785 1.290 15.432 1.00 0.00 C ATOM 1403 CG LEU A 94 6.429 2.534 14.812 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.906 2.600 15.169 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.241 2.540 13.299 1.00 0.00 C ATOM 0 H LEU A 94 4.179 -0.503 14.310 1.00 0.00 H new ATOM 0 HA LEU A 94 7.075 0.135 14.192 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.702 1.403 15.394 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.064 1.241 16.485 1.00 0.00 H new ATOM 0 HG LEU A 94 5.936 3.417 15.219 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.349 3.489 14.721 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.017 2.646 16.252 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.412 1.712 14.790 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.706 3.432 12.878 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.706 1.652 12.871 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.176 2.541 13.065 1.00 0.00 H new ATOM 1417 N GLU A 95 6.121 -2.347 15.412 1.00 0.00 N ATOM 1418 CA GLU A 95 6.289 -3.500 16.287 1.00 0.00 C ATOM 1419 C GLU A 95 6.097 -4.806 15.516 1.00 0.00 C ATOM 1420 O GLU A 95 6.171 -5.890 16.098 1.00 0.00 O ATOM 1421 CB GLU A 95 5.299 -3.432 17.453 1.00 0.00 C ATOM 1422 CG GLU A 95 3.875 -3.811 17.073 1.00 0.00 C ATOM 1423 CD GLU A 95 2.987 -4.033 18.282 1.00 0.00 C ATOM 1424 OE1 GLU A 95 3.521 -4.395 19.352 1.00 0.00 O ATOM 1425 OE2 GLU A 95 1.759 -3.849 18.158 1.00 0.00 O ATOM 0 H GLU A 95 5.760 -2.576 14.486 1.00 0.00 H new ATOM 0 HA GLU A 95 7.305 -3.479 16.680 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.642 -4.095 18.247 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.300 -2.421 17.859 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.447 -3.024 16.452 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.893 -4.718 16.469 1.00 0.00 H new ATOM 1432 N ILE A 96 5.884 -4.703 14.203 1.00 0.00 N ATOM 1433 CA ILE A 96 5.685 -5.890 13.364 1.00 0.00 C ATOM 1434 C ILE A 96 6.928 -6.780 13.348 1.00 0.00 C ATOM 1435 O ILE A 96 7.717 -6.795 14.293 1.00 0.00 O ATOM 1436 CB ILE A 96 5.360 -5.531 11.894 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.541 -4.818 11.224 1.00 0.00 C ATOM 1438 CG2 ILE A 96 4.097 -4.699 11.785 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.913 -3.503 11.858 1.00 0.00 C ATOM 0 H ILE A 96 5.845 -3.817 13.699 1.00 0.00 H new ATOM 0 HA ILE A 96 4.840 -6.415 13.809 1.00 0.00 H new ATOM 0 HB ILE A 96 5.184 -6.468 11.365 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.409 -5.477 11.247 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.299 -4.647 10.175 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.903 -4.468 10.738 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.256 -5.259 12.195 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.223 -3.772 12.344 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.757 -3.067 11.323 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.063 -2.823 11.811 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.190 -3.667 12.900 1.00 0.00 H new ATOM 1451 N ASP A 97 7.108 -7.493 12.236 1.00 0.00 N ATOM 1452 CA ASP A 97 8.262 -8.354 12.032 1.00 0.00 C ATOM 1453 C ASP A 97 9.563 -7.559 12.103 1.00 0.00 C ATOM 1454 O ASP A 97 10.651 -8.123 11.982 1.00 0.00 O ATOM 1455 CB ASP A 97 8.144 -9.036 10.670 1.00 0.00 C ATOM 1456 CG ASP A 97 8.794 -10.405 10.645 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.367 -11.279 11.427 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.731 -10.602 9.842 1.00 0.00 O ATOM 0 H ASP A 97 6.454 -7.486 11.453 1.00 0.00 H new ATOM 0 HA ASP A 97 8.283 -9.103 12.824 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.091 -9.133 10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.606 -8.405 9.911 1.00 0.00 H new ATOM 1463 N ASN A 98 9.427 -6.242 12.270 1.00 0.00 N ATOM 1464 CA ASN A 98 10.563 -5.326 12.359 1.00 0.00 C ATOM 1465 C ASN A 98 11.142 -5.019 10.982 1.00 0.00 C ATOM 1466 O ASN A 98 11.672 -3.933 10.752 1.00 0.00 O ATOM 1467 CB ASN A 98 11.654 -5.874 13.285 1.00 0.00 C ATOM 1468 CG ASN A 98 11.325 -5.673 14.751 1.00 0.00 C ATOM 1469 OD1 ASN A 98 11.042 -6.628 15.473 1.00 0.00 O ATOM 1470 ND2 ASN A 98 11.361 -4.423 15.199 1.00 0.00 N ATOM 0 H ASN A 98 8.521 -5.780 12.348 1.00 0.00 H new ATOM 0 HA ASN A 98 10.189 -4.396 12.786 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.792 -6.937 13.089 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.600 -5.383 13.057 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.149 -4.225 16.177 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.601 -3.661 14.565 1.00 0.00 H new ATOM 1477 N SER A 99 11.025 -5.971 10.066 1.00 0.00 N ATOM 1478 CA SER A 99 11.505 -5.774 8.705 1.00 0.00 C ATOM 1479 C SER A 99 10.578 -4.823 7.960 1.00 0.00 C ATOM 1480 O SER A 99 11.015 -4.045 7.114 1.00 0.00 O ATOM 1481 CB SER A 99 11.597 -7.107 7.964 1.00 0.00 C ATOM 1482 OG SER A 99 10.761 -7.120 6.820 1.00 0.00 O ATOM 0 H SER A 99 10.604 -6.884 10.239 1.00 0.00 H new ATOM 0 HA SER A 99 12.503 -5.338 8.750 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.629 -7.288 7.665 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.312 -7.918 8.634 1.00 0.00 H new ATOM 0 HG SER A 99 10.842 -7.984 6.365 1.00 0.00 H new ATOM 1488 N GLU A 100 9.296 -4.887 8.300 1.00 0.00 N ATOM 1489 CA GLU A 100 8.299 -4.005 7.709 1.00 0.00 C ATOM 1490 C GLU A 100 8.442 -2.606 8.283 1.00 0.00 C ATOM 1491 O GLU A 100 8.065 -1.625 7.648 1.00 0.00 O ATOM 1492 CB GLU A 100 6.895 -4.549 7.955 1.00 0.00 C ATOM 1493 CG GLU A 100 6.847 -6.066 8.024 1.00 0.00 C ATOM 1494 CD GLU A 100 5.685 -6.653 7.245 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.622 -6.001 7.182 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.839 -7.766 6.700 1.00 0.00 O ATOM 0 H GLU A 100 8.922 -5.544 8.985 1.00 0.00 H new ATOM 0 HA GLU A 100 8.460 -3.958 6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.510 -4.137 8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.234 -4.206 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.781 -6.473 7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.773 -6.376 9.066 1.00 0.00 H new ATOM 1503 N LEU A 101 9.021 -2.525 9.478 1.00 0.00 N ATOM 1504 CA LEU A 101 9.280 -1.245 10.125 1.00 0.00 C ATOM 1505 C LEU A 101 10.471 -0.559 9.461 1.00 0.00 C ATOM 1506 O LEU A 101 10.609 0.664 9.510 1.00 0.00 O ATOM 1507 CB LEU A 101 9.551 -1.457 11.620 1.00 0.00 C ATOM 1508 CG LEU A 101 10.558 -0.494 12.255 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.863 0.776 12.721 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.278 -1.167 13.414 1.00 0.00 C ATOM 0 H LEU A 101 9.321 -3.336 10.019 1.00 0.00 H new ATOM 0 HA LEU A 101 8.403 -0.607 10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.606 -1.372 12.157 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.910 -2.476 11.765 1.00 0.00 H new ATOM 0 HG LEU A 101 11.297 -0.222 11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.595 1.448 13.169 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.394 1.268 11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.102 0.524 13.459 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.990 -0.469 13.854 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.551 -1.468 14.168 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.809 -2.047 13.051 1.00 0.00 H new ATOM 1522 N LEU A 102 11.331 -1.365 8.848 1.00 0.00 N ATOM 1523 CA LEU A 102 12.528 -0.864 8.180 1.00 0.00 C ATOM 1524 C LEU A 102 12.253 -0.542 6.724 1.00 0.00 C ATOM 1525 O LEU A 102 12.667 0.501 6.222 1.00 0.00 O ATOM 1526 CB LEU A 102 13.651 -1.900 8.279 1.00 0.00 C ATOM 1527 CG LEU A 102 14.720 -1.598 9.331 1.00 0.00 C ATOM 1528 CD1 LEU A 102 14.278 -2.097 10.699 1.00 0.00 C ATOM 1529 CD2 LEU A 102 16.047 -2.226 8.935 1.00 0.00 C ATOM 0 H LEU A 102 11.220 -2.378 8.800 1.00 0.00 H new ATOM 0 HA LEU A 102 12.833 0.056 8.679 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.210 -2.872 8.500 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.134 -1.984 7.306 1.00 0.00 H new ATOM 0 HG LEU A 102 14.854 -0.518 9.388 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.051 -1.874 11.435 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.350 -1.601 10.985 1.00 0.00 H new ATOM 0 HD13 LEU A 102 14.116 -3.174 10.659 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.797 -2.002 9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.928 -3.306 8.851 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.369 -1.821 7.976 1.00 0.00 H new ATOM 1541 N HIS A 103 11.559 -1.440 6.046 1.00 0.00 N ATOM 1542 CA HIS A 103 11.251 -1.249 4.644 1.00 0.00 C ATOM 1543 C HIS A 103 10.282 -0.085 4.452 1.00 0.00 C ATOM 1544 O HIS A 103 10.402 0.679 3.496 1.00 0.00 O ATOM 1545 CB HIS A 103 10.665 -2.538 4.070 1.00 0.00 C ATOM 1546 CG HIS A 103 11.278 -2.951 2.767 1.00 0.00 C ATOM 1547 ND1 HIS A 103 12.170 -2.142 2.105 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.096 -4.088 2.051 1.00 0.00 C ATOM 1549 CE1 HIS A 103 12.509 -2.798 1.008 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.883 -3.981 0.936 1.00 0.00 N ATOM 0 H HIS A 103 11.200 -2.307 6.445 1.00 0.00 H new ATOM 0 HA HIS A 103 12.170 -1.006 4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.798 -3.341 4.795 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.592 -2.408 3.931 1.00 0.00 H new ATOM 0 HD2 HIS A 103 10.454 -4.917 2.310 1.00 0.00 H new ATOM 0 HE1 HIS A 103 13.201 -2.428 0.266 1.00 0.00 H new ATOM 0 HE2 HIS A 103 11.976 -4.671 0.191 1.00 0.00 H new ATOM 1558 N MET A 104 9.336 0.056 5.378 1.00 0.00 N ATOM 1559 CA MET A 104 8.349 1.130 5.309 1.00 0.00 C ATOM 1560 C MET A 104 9.019 2.499 5.324 1.00 0.00 C ATOM 1561 O MET A 104 8.538 3.438 4.693 1.00 0.00 O ATOM 1562 CB MET A 104 7.369 1.025 6.479 1.00 0.00 C ATOM 1563 CG MET A 104 8.025 1.231 7.828 1.00 0.00 C ATOM 1564 SD MET A 104 7.024 2.242 8.933 1.00 0.00 S ATOM 1565 CE MET A 104 5.397 1.586 8.579 1.00 0.00 C ATOM 0 H MET A 104 9.232 -0.560 6.184 1.00 0.00 H new ATOM 0 HA MET A 104 7.806 1.023 4.370 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.579 1.765 6.350 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.894 0.044 6.459 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.207 0.262 8.292 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.997 1.704 7.688 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.734 1.782 9.422 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.998 2.065 7.685 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.466 0.511 8.415 1.00 0.00 H new ATOM 1575 N LEU A 105 10.107 2.617 6.079 1.00 0.00 N ATOM 1576 CA LEU A 105 10.850 3.869 6.157 1.00 0.00 C ATOM 1577 C LEU A 105 11.874 3.936 5.042 1.00 0.00 C ATOM 1578 O LEU A 105 12.515 4.967 4.828 1.00 0.00 O ATOM 1579 CB LEU A 105 11.567 3.988 7.505 1.00 0.00 C ATOM 1580 CG LEU A 105 10.737 3.598 8.726 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.617 3.525 9.965 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.606 4.586 8.930 1.00 0.00 C ATOM 0 H LEU A 105 10.493 1.861 6.645 1.00 0.00 H new ATOM 0 HA LEU A 105 10.142 4.691 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.459 3.363 7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.903 5.018 7.629 1.00 0.00 H new ATOM 0 HG LEU A 105 10.306 2.612 8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.010 3.246 10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.397 2.779 9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.075 4.498 10.144 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.023 4.296 9.804 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.018 5.584 9.084 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.963 4.590 8.050 1.00 0.00 H new ATOM 1594 N GLU A 106 12.038 2.820 4.350 1.00 0.00 N ATOM 1595 CA GLU A 106 13.041 2.714 3.311 1.00 0.00 C ATOM 1596 C GLU A 106 12.428 2.667 1.913 1.00 0.00 C ATOM 1597 O GLU A 106 13.149 2.681 0.916 1.00 0.00 O ATOM 1598 CB GLU A 106 13.882 1.461 3.557 1.00 0.00 C ATOM 1599 CG GLU A 106 14.914 1.640 4.651 1.00 0.00 C ATOM 1600 CD GLU A 106 15.845 2.809 4.399 1.00 0.00 C ATOM 1601 OE1 GLU A 106 16.875 2.613 3.719 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.543 3.923 4.878 1.00 0.00 O ATOM 0 H GLU A 106 11.486 1.974 4.492 1.00 0.00 H new ATOM 0 HA GLU A 106 13.666 3.606 3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 106 13.222 0.634 3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.387 1.183 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.405 1.787 5.603 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.502 0.727 4.741 1.00 0.00 H new ATOM 1609 N SER A 107 11.102 2.623 1.839 1.00 0.00 N ATOM 1610 CA SER A 107 10.423 2.563 0.545 1.00 0.00 C ATOM 1611 C SER A 107 9.066 3.263 0.587 1.00 0.00 C ATOM 1612 O SER A 107 8.244 2.988 1.461 1.00 0.00 O ATOM 1613 CB SER A 107 10.243 1.108 0.119 1.00 0.00 C ATOM 1614 OG SER A 107 10.302 0.976 -1.290 1.00 0.00 O ATOM 0 H SER A 107 10.480 2.628 2.648 1.00 0.00 H new ATOM 0 HA SER A 107 11.046 3.084 -0.182 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.018 0.494 0.577 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.285 0.736 0.482 1.00 0.00 H new ATOM 0 HG SER A 107 10.186 0.034 -1.536 1.00 0.00 H new ATOM 1620 N PRO A 108 8.804 4.170 -0.378 1.00 0.00 N ATOM 1621 CA PRO A 108 7.540 4.919 -0.447 1.00 0.00 C ATOM 1622 C PRO A 108 6.342 4.020 -0.742 1.00 0.00 C ATOM 1623 O PRO A 108 5.211 4.495 -0.847 1.00 0.00 O ATOM 1624 CB PRO A 108 7.758 5.909 -1.600 1.00 0.00 C ATOM 1625 CG PRO A 108 9.231 5.926 -1.837 1.00 0.00 C ATOM 1626 CD PRO A 108 9.725 4.561 -1.456 1.00 0.00 C ATOM 0 HA PRO A 108 7.310 5.399 0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.220 5.595 -2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.391 6.902 -1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.456 6.146 -2.881 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.714 6.698 -1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.683 3.867 -2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.760 4.586 -1.115 1.00 0.00 H new ATOM 1634 N GLU A 109 6.598 2.725 -0.881 1.00 0.00 N ATOM 1635 CA GLU A 109 5.542 1.759 -1.161 1.00 0.00 C ATOM 1636 C GLU A 109 5.561 0.629 -0.144 1.00 0.00 C ATOM 1637 O GLU A 109 4.564 -0.065 0.038 1.00 0.00 O ATOM 1638 CB GLU A 109 5.702 1.195 -2.574 1.00 0.00 C ATOM 1639 CG GLU A 109 5.543 2.239 -3.665 1.00 0.00 C ATOM 1640 CD GLU A 109 5.553 1.636 -5.057 1.00 0.00 C ATOM 1641 OE1 GLU A 109 4.689 0.779 -5.338 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.422 2.023 -5.865 1.00 0.00 O ATOM 0 H GLU A 109 7.530 2.318 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 109 4.583 2.272 -1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.686 0.735 -2.663 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.966 0.406 -2.727 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.608 2.778 -3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.348 2.969 -3.584 1.00 0.00 H new ATOM 1649 N SER A 110 6.693 0.456 0.529 1.00 0.00 N ATOM 1650 CA SER A 110 6.809 -0.572 1.551 1.00 0.00 C ATOM 1651 C SER A 110 5.866 -0.277 2.691 1.00 0.00 C ATOM 1652 O SER A 110 5.116 -1.139 3.121 1.00 0.00 O ATOM 1653 CB SER A 110 8.234 -0.663 2.079 1.00 0.00 C ATOM 1654 OG SER A 110 8.852 -1.864 1.657 1.00 0.00 O ATOM 0 H SER A 110 7.537 1.011 0.385 1.00 0.00 H new ATOM 0 HA SER A 110 6.547 -1.528 1.098 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.812 0.191 1.727 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.227 -0.616 3.168 1.00 0.00 H new ATOM 0 HG SER A 110 9.548 -1.660 0.998 1.00 0.00 H new ATOM 1660 N LEU A 111 5.885 0.960 3.153 1.00 0.00 N ATOM 1661 CA LEU A 111 5.005 1.374 4.227 1.00 0.00 C ATOM 1662 C LEU A 111 3.567 0.978 3.929 1.00 0.00 C ATOM 1663 O LEU A 111 2.751 0.841 4.835 1.00 0.00 O ATOM 1664 CB LEU A 111 5.096 2.877 4.418 1.00 0.00 C ATOM 1665 CG LEU A 111 4.350 3.398 5.634 1.00 0.00 C ATOM 1666 CD1 LEU A 111 5.225 4.366 6.400 1.00 0.00 C ATOM 1667 CD2 LEU A 111 3.043 4.048 5.212 1.00 0.00 C ATOM 0 H LEU A 111 6.500 1.694 2.801 1.00 0.00 H new ATOM 0 HA LEU A 111 5.319 0.873 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.146 3.158 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.705 3.369 3.528 1.00 0.00 H new ATOM 0 HG LEU A 111 4.109 2.564 6.293 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.683 4.735 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.132 3.857 6.726 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.491 5.204 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.519 4.417 6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.251 4.880 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.420 3.314 4.700 1.00 0.00 H new ATOM 1679 N ARG A 112 3.275 0.790 2.651 1.00 0.00 N ATOM 1680 CA ARG A 112 1.940 0.408 2.217 1.00 0.00 C ATOM 1681 C ARG A 112 1.819 -1.097 2.076 1.00 0.00 C ATOM 1682 O ARG A 112 1.040 -1.731 2.781 1.00 0.00 O ATOM 1683 CB ARG A 112 1.612 1.090 0.901 1.00 0.00 C ATOM 1684 CG ARG A 112 1.277 2.545 1.096 1.00 0.00 C ATOM 1685 CD ARG A 112 1.492 3.354 -0.174 1.00 0.00 C ATOM 1686 NE ARG A 112 0.919 2.698 -1.345 1.00 0.00 N ATOM 1687 CZ ARG A 112 1.308 2.942 -2.594 1.00 0.00 C ATOM 1688 NH1 ARG A 112 2.271 3.823 -2.832 1.00 0.00 N ATOM 1689 NH2 ARG A 112 0.736 2.303 -3.604 1.00 0.00 N ATOM 0 H ARG A 112 3.949 0.897 1.893 1.00 0.00 H new ATOM 0 HA ARG A 112 1.227 0.730 2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.461 1.000 0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.771 0.583 0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.239 2.639 1.414 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.894 2.955 1.896 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.043 4.340 -0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.560 3.506 -0.330 1.00 0.00 H new ATOM 0 HE ARG A 112 0.178 2.013 -1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.715 4.315 -2.057 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.567 4.008 -3.790 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.003 1.623 -3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.035 2.491 -4.561 1.00 0.00 H new ATOM 1703 N SER A 113 2.595 -1.665 1.168 1.00 0.00 N ATOM 1704 CA SER A 113 2.593 -3.106 0.967 1.00 0.00 C ATOM 1705 C SER A 113 2.762 -3.815 2.305 1.00 0.00 C ATOM 1706 O SER A 113 2.315 -4.947 2.483 1.00 0.00 O ATOM 1707 CB SER A 113 3.713 -3.516 0.009 1.00 0.00 C ATOM 1708 OG SER A 113 3.518 -4.835 -0.469 1.00 0.00 O ATOM 0 H SER A 113 3.233 -1.153 0.559 1.00 0.00 H new ATOM 0 HA SER A 113 1.639 -3.396 0.526 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.749 -2.823 -0.831 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.674 -3.449 0.518 1.00 0.00 H new ATOM 0 HG SER A 113 4.246 -5.072 -1.080 1.00 0.00 H new ATOM 1714 N LYS A 114 3.454 -3.149 3.225 1.00 0.00 N ATOM 1715 CA LYS A 114 3.655 -3.678 4.567 1.00 0.00 C ATOM 1716 C LYS A 114 2.433 -3.415 5.437 1.00 0.00 C ATOM 1717 O LYS A 114 2.009 -4.283 6.196 1.00 0.00 O ATOM 1718 CB LYS A 114 4.902 -3.075 5.219 1.00 0.00 C ATOM 1719 CG LYS A 114 6.195 -3.412 4.491 1.00 0.00 C ATOM 1720 CD LYS A 114 6.488 -4.903 4.524 1.00 0.00 C ATOM 1721 CE LYS A 114 7.803 -5.228 3.833 1.00 0.00 C ATOM 1722 NZ LYS A 114 8.899 -5.482 4.809 1.00 0.00 N ATOM 0 H LYS A 114 3.886 -2.239 3.063 1.00 0.00 H new ATOM 0 HA LYS A 114 3.801 -4.755 4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.791 -1.992 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.971 -3.429 6.247 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.127 -3.078 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 114 7.022 -2.869 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.525 -5.245 5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.677 -5.445 4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.672 -6.105 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.083 -4.401 3.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.638 -6.059 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 9.307 -4.576 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 8.519 -5.988 5.634 1.00 0.00 H new ATOM 1736 N VAL A 115 1.882 -2.203 5.340 1.00 0.00 N ATOM 1737 CA VAL A 115 0.703 -1.848 6.129 1.00 0.00 C ATOM 1738 C VAL A 115 -0.491 -2.706 5.712 1.00 0.00 C ATOM 1739 O VAL A 115 -1.043 -3.445 6.527 1.00 0.00 O ATOM 1740 CB VAL A 115 0.365 -0.340 6.018 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.140 -0.093 6.016 1.00 0.00 C ATOM 1742 CG2 VAL A 115 1.015 0.424 7.159 1.00 0.00 C ATOM 0 H VAL A 115 2.228 -1.461 4.732 1.00 0.00 H new ATOM 0 HA VAL A 115 0.932 -2.048 7.176 1.00 0.00 H new ATOM 0 HB VAL A 115 0.760 0.017 5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.333 0.977 5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.592 -0.607 5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.572 -0.472 6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.772 1.483 7.073 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.644 0.043 8.110 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.096 0.295 7.114 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.853 -2.640 4.431 1.00 0.00 N ATOM 1753 CA ASP A 116 -1.956 -3.438 3.905 1.00 0.00 C ATOM 1754 C ASP A 116 -1.790 -4.908 4.281 1.00 0.00 C ATOM 1755 O ASP A 116 -2.755 -5.580 4.645 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.037 -3.289 2.382 1.00 0.00 C ATOM 1757 CG ASP A 116 -2.492 -4.562 1.692 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.657 -4.964 1.894 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -1.683 -5.156 0.948 1.00 0.00 O ATOM 0 H ASP A 116 -0.398 -2.043 3.741 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.883 -3.074 4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.726 -2.481 2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.059 -3.002 1.997 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.557 -5.402 4.196 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.265 -6.786 4.549 1.00 0.00 C ATOM 1766 C GLU A 117 -0.353 -6.974 6.056 1.00 0.00 C ATOM 1767 O GLU A 117 -0.744 -8.038 6.538 1.00 0.00 O ATOM 1768 CB GLU A 117 1.125 -7.184 4.053 1.00 0.00 C ATOM 1769 CG GLU A 117 1.115 -7.854 2.689 1.00 0.00 C ATOM 1770 CD GLU A 117 2.452 -8.476 2.332 1.00 0.00 C ATOM 1771 OE1 GLU A 117 2.980 -9.258 3.150 1.00 0.00 O ATOM 1772 OE2 GLU A 117 2.969 -8.183 1.233 1.00 0.00 O ATOM 0 H GLU A 117 0.253 -4.865 3.886 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.004 -7.427 4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.754 -6.295 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.580 -7.860 4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 117 0.345 -8.625 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 117 0.846 -7.119 1.930 1.00 0.00 H new ATOM 1779 N ALA A 118 0.006 -5.930 6.796 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.071 -5.970 8.248 1.00 0.00 C ATOM 1781 C ALA A 118 -1.522 -6.003 8.691 1.00 0.00 C ATOM 1782 O ALA A 118 -1.834 -6.463 9.786 1.00 0.00 O ATOM 1783 CB ALA A 118 0.655 -4.790 8.870 1.00 0.00 C ATOM 0 H ALA A 118 0.352 -5.050 6.414 1.00 0.00 H new ATOM 0 HA ALA A 118 0.423 -6.879 8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.580 -4.848 9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.705 -4.813 8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.202 -3.861 8.524 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.410 -5.525 7.824 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.836 -5.568 8.100 1.00 0.00 C ATOM 1791 C VAL A 119 -4.300 -7.004 8.156 1.00 0.00 C ATOM 1792 O VAL A 119 -5.001 -7.412 9.078 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.652 -4.837 7.035 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.100 -4.735 7.481 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.061 -3.468 6.759 1.00 0.00 C ATOM 0 H VAL A 119 -2.165 -5.105 6.927 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.994 -5.070 9.056 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.618 -5.403 6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.679 -4.213 6.719 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.508 -5.736 7.625 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.154 -4.183 8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.655 -2.962 5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.066 -2.878 7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.036 -3.579 6.405 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.895 -7.768 7.152 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.214 -9.179 7.094 1.00 0.00 C ATOM 1807 C ALA A 120 -3.667 -9.875 8.334 1.00 0.00 C ATOM 1808 O ALA A 120 -4.213 -10.876 8.802 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.624 -9.783 5.831 1.00 0.00 C ATOM 0 H ALA A 120 -3.342 -7.428 6.365 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.295 -9.313 7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.865 -10.845 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.042 -9.281 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.541 -9.657 5.839 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.599 -9.300 8.877 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.955 -9.817 10.071 1.00 0.00 C ATOM 1817 C VAL A 121 -2.668 -9.320 11.327 1.00 0.00 C ATOM 1818 O VAL A 121 -2.723 -10.016 12.341 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.475 -9.385 10.104 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.116 -9.547 11.493 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.329 -10.170 9.079 1.00 0.00 C ATOM 0 H VAL A 121 -2.158 -8.462 8.498 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.011 -10.905 10.047 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.426 -8.327 9.847 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.160 -9.234 11.483 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.441 -8.931 12.199 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.053 -10.592 11.795 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.371 -9.854 9.115 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.265 -11.235 9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.072 -9.985 8.083 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.212 -8.110 11.247 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.929 -7.515 12.366 1.00 0.00 C ATOM 1833 C LEU A 122 -5.278 -8.199 12.549 1.00 0.00 C ATOM 1834 O LEU A 122 -5.700 -8.475 13.672 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.106 -6.006 12.142 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.552 -5.497 12.117 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.869 -4.736 13.394 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.788 -4.618 10.900 1.00 0.00 C ATOM 0 H LEU A 122 -3.169 -7.521 10.415 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.347 -7.658 13.276 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.569 -5.476 12.928 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.632 -5.741 11.197 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.219 -6.357 12.053 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.899 -4.381 13.360 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.740 -5.396 14.252 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.195 -3.884 13.487 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.820 -4.266 10.900 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.113 -3.763 10.933 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.601 -5.194 9.994 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.940 -8.480 11.433 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.227 -9.156 11.457 1.00 0.00 C ATOM 1852 C GLN A 123 -7.078 -10.537 12.075 1.00 0.00 C ATOM 1853 O GLN A 123 -7.945 -10.998 12.817 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.795 -9.264 10.040 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.438 -7.979 9.541 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.677 -7.604 10.331 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -9.588 -6.985 11.391 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.841 -7.980 9.816 1.00 0.00 N ATOM 0 H GLN A 123 -5.604 -8.248 10.498 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.920 -8.574 12.064 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.994 -9.548 9.357 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.535 -10.064 10.014 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.713 -7.167 9.601 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.702 -8.093 8.490 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.867 -8.492 8.934 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.710 -7.757 10.302 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.950 -11.176 11.788 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.650 -12.485 12.346 1.00 0.00 C ATOM 1869 C ALA A 124 -5.352 -12.377 13.833 1.00 0.00 C ATOM 1870 O ALA A 124 -6.205 -12.686 14.661 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.474 -13.113 11.613 1.00 0.00 C ATOM 0 H ALA A 124 -5.228 -10.806 11.170 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.523 -13.124 12.217 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.260 -14.092 12.041 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.721 -13.224 10.557 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.598 -12.473 11.715 1.00 0.00 H new