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= -0.163 K(o=-0.56,f=-2.7) USER MOD Set 1.2: A 110 SER OG : rot 137:sc= -0.401 USER MOD Set 2.1: A 79 GLN :FLIP amide:sc= 0.601 F(o=0.63,f=2) USER MOD Set 2.2: A 84 THR OG1 : rot -42:sc= 1.38 USER MOD Set 3.1: A 54 THR OG1 : rot 180:sc= -0.674 USER MOD Set 3.2: A 57 MET CE :methyl 176:sc= -2.54! (180deg=-2.85!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00418 USER MOD Single : A 60 SER OG : rot -33:sc= 0.0941 USER MOD Single : A 66 GLN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 69 MET CE :methyl 168:sc= -0.633 (180deg=-0.741) USER MOD Single : A 81 MET CE :methyl 175:sc= -0.627 (180deg=-0.685) USER MOD Single : A 82 HIS : no HD1:sc= -5.69! C(o=-5.7!,f=-10!) USER MOD Single : A 88 LYS NZ :NH3+ -135:sc= 0.055 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -90:sc= -4.23! USER MOD Single : A 92 MET CE :methyl 170:sc= -2.02! (180deg=-2.17!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0.00226 USER MOD Single : A 104 MET CE :methyl 159:sc= -9.32! (180deg=-10.7!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -1.13 K(o=-1.1,f=-2) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.769 8.919 3.716 1.00 0.00 N ATOM 766 CA LEU A 53 2.107 8.909 4.297 1.00 0.00 C ATOM 767 C LEU A 53 2.911 7.719 3.785 1.00 0.00 C ATOM 768 O LEU A 53 2.345 6.684 3.430 1.00 0.00 O ATOM 769 CB LEU A 53 2.019 8.850 5.824 1.00 0.00 C ATOM 770 CG LEU A 53 2.977 9.785 6.569 1.00 0.00 C ATOM 771 CD1 LEU A 53 2.267 11.065 6.973 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.556 9.096 7.795 1.00 0.00 C ATOM 0 HA LEU A 53 2.613 9.827 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.998 9.089 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.214 7.826 6.144 1.00 0.00 H new ATOM 0 HG LEU A 53 3.796 10.038 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.964 11.716 7.501 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.899 11.574 6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.428 10.825 7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.234 9.778 8.309 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.747 8.811 8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.103 8.205 7.487 1.00 0.00 H new ATOM 784 N THR A 54 4.231 7.874 3.739 1.00 0.00 N ATOM 785 CA THR A 54 5.110 6.806 3.280 1.00 0.00 C ATOM 786 C THR A 54 6.545 7.068 3.707 1.00 0.00 C ATOM 787 O THR A 54 6.830 8.055 4.388 1.00 0.00 O ATOM 788 CB THR A 54 5.044 6.664 1.758 1.00 0.00 C ATOM 789 OG1 THR A 54 3.906 7.326 1.234 1.00 0.00 O ATOM 790 CG2 THR A 54 4.994 5.225 1.299 1.00 0.00 C ATOM 0 H THR A 54 4.714 8.729 4.014 1.00 0.00 H new ATOM 0 HA THR A 54 4.769 5.877 3.736 1.00 0.00 H new ATOM 0 HB THR A 54 5.962 7.118 1.386 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.887 7.222 0.260 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.948 5.192 0.210 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.888 4.703 1.641 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.110 4.741 1.714 1.00 0.00 H new ATOM 798 N ALA A 55 7.448 6.186 3.293 1.00 0.00 N ATOM 799 CA ALA A 55 8.861 6.320 3.627 1.00 0.00 C ATOM 800 C ALA A 55 9.368 7.722 3.311 1.00 0.00 C ATOM 801 O ALA A 55 10.174 8.281 4.053 1.00 0.00 O ATOM 802 CB ALA A 55 9.683 5.283 2.883 1.00 0.00 C ATOM 0 H ALA A 55 7.226 5.369 2.724 1.00 0.00 H new ATOM 0 HA ALA A 55 8.971 6.152 4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.735 5.397 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.347 4.284 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.558 5.422 1.809 1.00 0.00 H new ATOM 808 N SER A 56 8.887 8.283 2.205 1.00 0.00 N ATOM 809 CA SER A 56 9.280 9.626 1.797 1.00 0.00 C ATOM 810 C SER A 56 8.873 10.645 2.854 1.00 0.00 C ATOM 811 O SER A 56 9.659 11.517 3.225 1.00 0.00 O ATOM 812 CB SER A 56 8.643 9.981 0.453 1.00 0.00 C ATOM 813 OG SER A 56 8.739 8.901 -0.460 1.00 0.00 O ATOM 0 H SER A 56 8.225 7.828 1.576 1.00 0.00 H new ATOM 0 HA SER A 56 10.364 9.649 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.595 10.243 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.135 10.859 0.035 1.00 0.00 H new ATOM 0 HG SER A 56 8.323 9.154 -1.310 1.00 0.00 H new ATOM 819 N MET A 57 7.643 10.520 3.345 1.00 0.00 N ATOM 820 CA MET A 57 7.138 11.411 4.381 1.00 0.00 C ATOM 821 C MET A 57 8.001 11.300 5.632 1.00 0.00 C ATOM 822 O MET A 57 8.350 12.303 6.254 1.00 0.00 O ATOM 823 CB MET A 57 5.688 11.066 4.727 1.00 0.00 C ATOM 824 CG MET A 57 4.665 11.534 3.698 1.00 0.00 C ATOM 825 SD MET A 57 5.377 11.853 2.073 1.00 0.00 S ATOM 826 CE MET A 57 5.181 10.250 1.298 1.00 0.00 C ATOM 0 H MET A 57 6.978 9.809 3.041 1.00 0.00 H new ATOM 0 HA MET A 57 7.177 12.433 4.004 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.602 9.985 4.841 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.443 11.509 5.692 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.885 10.778 3.603 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.185 12.443 4.061 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.510 10.305 0.260 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.781 9.512 1.831 1.00 0.00 H new ATOM 0 HE3 MET A 57 4.132 9.956 1.330 1.00 0.00 H new ATOM 836 N LEU A 58 8.340 10.066 5.983 1.00 0.00 N ATOM 837 CA LEU A 58 9.173 9.794 7.146 1.00 0.00 C ATOM 838 C LEU A 58 10.520 10.490 7.015 1.00 0.00 C ATOM 839 O LEU A 58 11.006 11.116 7.957 1.00 0.00 O ATOM 840 CB LEU A 58 9.388 8.284 7.288 1.00 0.00 C ATOM 841 CG LEU A 58 8.199 7.467 7.817 1.00 0.00 C ATOM 842 CD1 LEU A 58 6.996 8.350 8.127 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.827 6.388 6.812 1.00 0.00 C ATOM 0 H LEU A 58 8.048 9.232 5.474 1.00 0.00 H new ATOM 0 HA LEU A 58 8.666 10.176 8.032 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.668 7.886 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.236 8.122 7.953 1.00 0.00 H new ATOM 0 HG LEU A 58 8.503 6.998 8.753 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.178 7.733 8.498 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.269 9.084 8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.679 8.865 7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.983 5.812 7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.552 6.852 5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.679 5.726 6.657 1.00 0.00 H new ATOM 855 N ALA A 59 11.123 10.364 5.837 1.00 0.00 N ATOM 856 CA ALA A 59 12.420 10.973 5.568 1.00 0.00 C ATOM 857 C ALA A 59 12.302 12.489 5.455 1.00 0.00 C ATOM 858 O ALA A 59 13.309 13.197 5.401 1.00 0.00 O ATOM 859 CB ALA A 59 13.023 10.391 4.299 1.00 0.00 C ATOM 0 H ALA A 59 10.732 9.844 5.051 1.00 0.00 H new ATOM 0 HA ALA A 59 13.080 10.749 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.991 10.855 4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.153 9.315 4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.358 10.585 3.458 1.00 0.00 H new ATOM 865 N SER A 60 11.068 12.981 5.412 1.00 0.00 N ATOM 866 CA SER A 60 10.821 14.415 5.308 1.00 0.00 C ATOM 867 C SER A 60 10.946 15.086 6.671 1.00 0.00 C ATOM 868 O SER A 60 10.928 16.312 6.775 1.00 0.00 O ATOM 869 CB SER A 60 9.431 14.675 4.723 1.00 0.00 C ATOM 870 OG SER A 60 9.298 16.022 4.304 1.00 0.00 O ATOM 0 H SER A 60 10.224 12.409 5.448 1.00 0.00 H new ATOM 0 HA SER A 60 11.571 14.841 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.258 14.009 3.877 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.670 14.446 5.469 1.00 0.00 H new ATOM 0 HG SER A 60 9.818 16.602 4.898 1.00 0.00 H new ATOM 876 N ALA A 61 11.077 14.270 7.713 1.00 0.00 N ATOM 877 CA ALA A 61 11.211 14.780 9.073 1.00 0.00 C ATOM 878 C ALA A 61 12.338 14.065 9.820 1.00 0.00 C ATOM 879 O ALA A 61 12.104 13.438 10.854 1.00 0.00 O ATOM 880 CB ALA A 61 9.894 14.625 9.821 1.00 0.00 C ATOM 0 H ALA A 61 11.093 13.253 7.641 1.00 0.00 H new ATOM 0 HA ALA A 61 11.465 15.839 9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.004 15.009 10.835 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.114 15.184 9.304 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.619 13.571 9.860 1.00 0.00 H new ATOM 946 N GLN A 66 10.845 11.352 12.051 1.00 0.00 N ATOM 947 CA GLN A 66 11.483 10.348 11.208 1.00 0.00 C ATOM 948 C GLN A 66 11.071 8.946 11.642 1.00 0.00 C ATOM 949 O GLN A 66 10.643 8.131 10.826 1.00 0.00 O ATOM 950 CB GLN A 66 13.004 10.484 11.268 1.00 0.00 C ATOM 951 CG GLN A 66 13.683 10.231 9.934 1.00 0.00 C ATOM 952 CD GLN A 66 15.047 9.589 10.085 1.00 0.00 C ATOM 953 OE1 GLN A 66 16.072 10.204 9.792 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.067 8.343 10.546 1.00 0.00 N ATOM 0 HA GLN A 66 11.156 10.510 10.181 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.259 11.486 11.613 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.396 9.784 12.006 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.049 9.588 9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.787 11.175 9.399 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.193 7.870 10.777 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.956 7.859 10.669 1.00 0.00 H new ATOM 963 N LYS A 67 11.193 8.681 12.938 1.00 0.00 N ATOM 964 CA LYS A 67 10.821 7.389 13.497 1.00 0.00 C ATOM 965 C LYS A 67 9.727 7.554 14.544 1.00 0.00 C ATOM 966 O LYS A 67 9.728 6.876 15.574 1.00 0.00 O ATOM 967 CB LYS A 67 12.041 6.708 14.120 1.00 0.00 C ATOM 968 CG LYS A 67 13.252 6.667 13.203 1.00 0.00 C ATOM 969 CD LYS A 67 14.047 5.385 13.388 1.00 0.00 C ATOM 970 CE LYS A 67 15.520 5.591 13.081 1.00 0.00 C ATOM 971 NZ LYS A 67 16.290 4.320 13.172 1.00 0.00 N ATOM 0 H LYS A 67 11.548 9.348 13.623 1.00 0.00 H new ATOM 0 HA LYS A 67 10.441 6.763 12.689 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.309 7.231 15.038 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.774 5.689 14.400 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.927 6.749 12.166 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.892 7.526 13.405 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.934 5.031 14.413 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.644 4.609 12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.627 6.009 12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.937 6.319 13.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.290 4.504 12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.209 3.933 14.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.909 3.634 12.490 1.00 0.00 H new ATOM 985 N GLN A 68 8.793 8.463 14.278 1.00 0.00 N ATOM 986 CA GLN A 68 7.701 8.733 15.205 1.00 0.00 C ATOM 987 C GLN A 68 6.347 8.649 14.508 1.00 0.00 C ATOM 988 O GLN A 68 5.471 7.889 14.923 1.00 0.00 O ATOM 989 CB GLN A 68 7.877 10.115 15.833 1.00 0.00 C ATOM 990 CG GLN A 68 6.886 10.410 16.946 1.00 0.00 C ATOM 991 CD GLN A 68 7.192 11.706 17.674 1.00 0.00 C ATOM 992 OE1 GLN A 68 8.049 12.482 17.251 1.00 0.00 O ATOM 993 NE2 GLN A 68 6.489 11.945 18.774 1.00 0.00 N ATOM 0 H GLN A 68 8.772 9.025 13.427 1.00 0.00 H new ATOM 0 HA GLN A 68 7.728 7.973 15.986 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.889 10.199 16.228 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.774 10.873 15.057 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.881 10.462 16.528 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.892 9.587 17.660 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.788 11.273 19.088 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.649 12.800 19.306 1.00 0.00 H new ATOM 1002 N MET A 69 6.179 9.433 13.446 1.00 0.00 N ATOM 1003 CA MET A 69 4.919 9.463 12.708 1.00 0.00 C ATOM 1004 C MET A 69 4.743 8.218 11.840 1.00 0.00 C ATOM 1005 O MET A 69 3.743 8.083 11.135 1.00 0.00 O ATOM 1006 CB MET A 69 4.849 10.719 11.836 1.00 0.00 C ATOM 1007 CG MET A 69 5.819 10.708 10.667 1.00 0.00 C ATOM 1008 SD MET A 69 5.274 11.753 9.303 1.00 0.00 S ATOM 1009 CE MET A 69 6.812 12.561 8.866 1.00 0.00 C ATOM 0 H MET A 69 6.898 10.055 13.078 1.00 0.00 H new ATOM 0 HA MET A 69 4.109 9.480 13.438 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.834 10.828 11.453 1.00 0.00 H new ATOM 0 HB3 MET A 69 5.051 11.592 12.456 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.798 11.045 11.009 1.00 0.00 H new ATOM 0 HG3 MET A 69 5.940 9.685 10.310 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.695 13.075 7.912 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.075 13.284 9.638 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.603 11.816 8.782 1.00 0.00 H new ATOM 1019 N LEU A 70 5.712 7.310 11.898 1.00 0.00 N ATOM 1020 CA LEU A 70 5.656 6.085 11.102 1.00 0.00 C ATOM 1021 C LEU A 70 4.495 5.190 11.526 1.00 0.00 C ATOM 1022 O LEU A 70 3.835 4.581 10.686 1.00 0.00 O ATOM 1023 CB LEU A 70 6.964 5.289 11.200 1.00 0.00 C ATOM 1024 CG LEU A 70 7.888 5.625 12.380 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.138 5.592 13.705 1.00 0.00 C ATOM 1026 CD2 LEU A 70 9.054 4.653 12.419 1.00 0.00 C ATOM 0 H LEU A 70 6.542 7.397 12.484 1.00 0.00 H new ATOM 0 HA LEU A 70 5.504 6.397 10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.714 4.229 11.254 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.523 5.438 10.276 1.00 0.00 H new ATOM 0 HG LEU A 70 8.263 6.638 12.233 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.823 5.835 14.517 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.329 6.322 13.683 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.725 4.596 13.864 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.704 4.898 13.259 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.677 3.637 12.537 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.619 4.725 11.490 1.00 0.00 H new ATOM 1038 N GLY A 71 4.276 5.074 12.831 1.00 0.00 N ATOM 1039 CA GLY A 71 3.205 4.228 13.318 1.00 0.00 C ATOM 1040 C GLY A 71 2.374 4.902 14.393 1.00 0.00 C ATOM 1041 O GLY A 71 1.769 4.231 15.231 1.00 0.00 O ATOM 0 H GLY A 71 4.817 5.547 13.555 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.559 3.950 12.485 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.628 3.305 13.715 1.00 0.00 H new ATOM 1045 N GLU A 72 2.335 6.230 14.361 1.00 0.00 N ATOM 1046 CA GLU A 72 1.568 6.998 15.335 1.00 0.00 C ATOM 1047 C GLU A 72 0.846 8.163 14.663 1.00 0.00 C ATOM 1048 O GLU A 72 0.065 8.874 15.295 1.00 0.00 O ATOM 1049 CB GLU A 72 2.494 7.502 16.450 1.00 0.00 C ATOM 1050 CG GLU A 72 2.943 8.951 16.295 1.00 0.00 C ATOM 1051 CD GLU A 72 2.801 9.744 17.579 1.00 0.00 C ATOM 1052 OE1 GLU A 72 3.465 9.387 18.574 1.00 0.00 O ATOM 1053 OE2 GLU A 72 2.025 10.723 17.590 1.00 0.00 O ATOM 0 H GLU A 72 2.826 6.797 13.670 1.00 0.00 H new ATOM 0 HA GLU A 72 0.812 6.347 15.774 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.982 7.394 17.406 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.377 6.864 16.488 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.984 8.973 15.972 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.356 9.428 15.510 1.00 0.00 H new ATOM 1060 N ARG A 73 1.108 8.341 13.372 1.00 0.00 N ATOM 1061 CA ARG A 73 0.490 9.410 12.601 1.00 0.00 C ATOM 1062 C ARG A 73 -0.167 8.839 11.355 1.00 0.00 C ATOM 1063 O ARG A 73 -1.100 9.421 10.803 1.00 0.00 O ATOM 1064 CB ARG A 73 1.543 10.442 12.204 1.00 0.00 C ATOM 1065 CG ARG A 73 1.007 11.560 11.325 1.00 0.00 C ATOM 1066 CD ARG A 73 0.642 12.787 12.141 1.00 0.00 C ATOM 1067 NE ARG A 73 -0.717 12.706 12.670 1.00 0.00 N ATOM 1068 CZ ARG A 73 -1.304 13.684 13.355 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -0.654 14.816 13.593 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -2.543 13.529 13.801 1.00 0.00 N ATOM 0 H ARG A 73 1.748 7.754 12.837 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.270 9.894 13.214 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.971 10.876 13.107 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.353 9.937 11.679 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.756 11.828 10.579 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.129 11.208 10.783 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.346 12.897 12.966 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.737 13.677 11.520 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.247 11.850 12.505 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.299 14.939 13.250 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.107 15.564 14.118 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.046 12.660 13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.993 14.278 14.326 1.00 0.00 H new ATOM 1084 N LEU A 74 0.330 7.688 10.928 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.197 7.013 9.752 1.00 0.00 C ATOM 1086 C LEU A 74 -1.530 6.353 10.046 1.00 0.00 C ATOM 1087 O LEU A 74 -2.352 6.174 9.152 1.00 0.00 O ATOM 1088 CB LEU A 74 0.782 5.948 9.285 1.00 0.00 C ATOM 1089 CG LEU A 74 1.562 6.304 8.037 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.953 5.704 8.115 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.819 5.830 6.797 1.00 0.00 C ATOM 0 H LEU A 74 1.102 7.200 11.382 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.339 7.764 8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.487 5.744 10.091 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.232 5.025 9.102 1.00 0.00 H new ATOM 0 HG LEU A 74 1.661 7.387 7.967 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.512 5.962 7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.471 6.098 8.989 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.877 4.620 8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.391 6.093 5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.692 4.748 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.159 6.309 6.754 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.701 5.942 11.296 1.00 0.00 N ATOM 1104 CA PHE A 75 -2.906 5.253 11.734 1.00 0.00 C ATOM 1105 C PHE A 75 -4.174 5.857 11.111 1.00 0.00 C ATOM 1106 O PHE A 75 -4.947 5.146 10.466 1.00 0.00 O ATOM 1107 CB PHE A 75 -2.978 5.285 13.263 1.00 0.00 C ATOM 1108 CG PHE A 75 -3.344 3.975 13.907 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -3.263 2.781 13.206 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -3.744 3.940 15.235 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -3.587 1.583 13.811 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -4.071 2.745 15.843 1.00 0.00 C ATOM 1113 CZ PHE A 75 -3.993 1.565 15.131 1.00 0.00 C ATOM 0 H PHE A 75 -1.009 6.077 12.033 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.854 4.219 11.393 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.012 5.607 13.651 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.708 6.037 13.562 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.943 2.788 12.175 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.800 4.859 15.800 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.523 0.661 13.253 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.388 2.733 16.875 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.249 0.629 15.605 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.400 7.181 11.262 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.575 7.839 10.680 1.00 0.00 C ATOM 1125 C PRO A 76 -5.548 7.814 9.155 1.00 0.00 C ATOM 1126 O PRO A 76 -6.592 7.852 8.504 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.485 9.278 11.195 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.047 9.475 11.529 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.544 8.137 11.992 1.00 0.00 C ATOM 0 HA PRO A 76 -6.501 7.338 10.961 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.816 9.990 10.439 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.118 9.425 12.070 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.488 9.823 10.660 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.927 10.228 12.308 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.490 7.998 11.751 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.642 8.022 13.071 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.345 7.740 8.592 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.179 7.704 7.144 1.00 0.00 C ATOM 1139 C LEU A 77 -4.398 6.294 6.602 1.00 0.00 C ATOM 1140 O LEU A 77 -4.681 6.117 5.418 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.787 8.206 6.755 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.560 9.708 6.955 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.149 10.093 6.541 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.584 10.513 6.170 1.00 0.00 C ATOM 0 H LEU A 77 -3.471 7.704 9.117 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.929 8.360 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.045 7.661 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.610 7.964 5.707 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.683 9.936 8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.005 11.163 6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.429 9.543 7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.999 9.850 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.406 11.577 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.494 10.281 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.587 10.259 6.513 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.266 5.293 7.470 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.484 3.909 7.062 1.00 0.00 C ATOM 1158 C ILE A 78 -5.958 3.675 6.774 1.00 0.00 C ATOM 1159 O ILE A 78 -6.311 2.944 5.850 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.034 2.904 8.131 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.644 3.261 8.659 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -4.048 1.494 7.560 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.541 3.088 7.638 1.00 0.00 C ATOM 0 H ILE A 78 -4.012 5.413 8.450 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.884 3.750 6.166 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.732 2.948 8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.650 4.296 9.002 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.424 2.639 9.527 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.727 0.788 8.326 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.058 1.243 7.235 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.369 1.439 6.709 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.585 3.360 8.085 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.506 2.048 7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.736 3.731 6.779 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.814 4.313 7.571 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.259 4.212 7.381 1.00 0.00 C ATOM 1177 C GLN A 79 -8.627 4.571 5.945 1.00 0.00 C ATOM 1178 O GLN A 79 -9.739 4.315 5.486 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.983 5.149 8.348 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.652 4.432 9.510 1.00 0.00 C ATOM 1181 CD GLN A 79 -10.224 5.392 10.535 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -9.392 6.307 11.019 1.00 0.00 O flip ATOM 1183 NE2 GLN A 79 -11.401 5.313 10.887 1.00 0.00 N flip ATOM 0 H GLN A 79 -6.532 4.904 8.353 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.566 3.185 7.581 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.269 5.872 8.742 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.737 5.712 7.798 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.450 3.795 9.128 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.927 3.778 9.995 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.005 4.594 10.489 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.772 5.967 11.577 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.675 5.183 5.254 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.849 5.571 3.861 1.00 0.00 C ATOM 1194 C ALA A 80 -7.574 4.392 2.935 1.00 0.00 C ATOM 1195 O ALA A 80 -8.264 4.202 1.934 1.00 0.00 O ATOM 1196 CB ALA A 80 -6.926 6.729 3.517 1.00 0.00 C ATOM 0 H ALA A 80 -6.763 5.424 5.642 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.882 5.888 3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.067 7.009 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.158 7.581 4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.890 6.428 3.676 1.00 0.00 H new ATOM 1202 N MET A 81 -6.543 3.616 3.263 1.00 0.00 N ATOM 1203 CA MET A 81 -6.187 2.447 2.466 1.00 0.00 C ATOM 1204 C MET A 81 -7.211 1.342 2.671 1.00 0.00 C ATOM 1205 O MET A 81 -7.677 0.719 1.716 1.00 0.00 O ATOM 1206 CB MET A 81 -4.794 1.938 2.847 1.00 0.00 C ATOM 1207 CG MET A 81 -3.811 3.038 3.214 1.00 0.00 C ATOM 1208 SD MET A 81 -2.741 2.575 4.586 1.00 0.00 S ATOM 1209 CE MET A 81 -1.200 2.269 3.729 1.00 0.00 C ATOM 0 H MET A 81 -5.942 3.776 4.072 1.00 0.00 H new ATOM 0 HA MET A 81 -6.178 2.738 1.416 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.887 1.253 3.689 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.387 1.365 2.013 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.199 3.279 2.345 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.362 3.941 3.476 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.415 2.058 4.456 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.317 1.414 3.064 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.928 3.148 3.145 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.558 1.118 3.930 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.536 0.107 4.298 1.00 0.00 C ATOM 1221 C HIS A 82 -9.793 0.775 4.847 1.00 0.00 C ATOM 1222 O HIS A 82 -9.705 1.831 5.467 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.931 -0.835 5.340 1.00 0.00 C ATOM 1224 CG HIS A 82 -7.046 -1.884 4.742 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.240 -3.219 4.998 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.985 -1.742 3.911 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.307 -3.858 4.311 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.516 -3.001 3.652 1.00 0.00 N ATOM 0 H HIS A 82 -7.171 1.631 4.722 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.809 -0.472 3.416 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.357 -0.251 6.059 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.736 -1.320 5.893 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.587 -0.814 3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.197 -4.932 4.285 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.715 -3.242 3.068 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.983 0.193 4.588 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.257 0.739 5.044 1.00 0.00 C ATOM 1238 C PRO A 83 -12.129 1.492 6.363 1.00 0.00 C ATOM 1239 O PRO A 83 -12.576 2.633 6.484 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.131 -0.510 5.215 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.423 -1.631 4.504 1.00 0.00 C ATOM 1242 CD PRO A 83 -11.189 -1.056 3.855 1.00 0.00 C ATOM 0 HA PRO A 83 -12.664 1.469 4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.268 -0.746 6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.123 -0.349 4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.153 -2.419 5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.075 -2.081 3.755 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.334 -1.725 3.950 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.338 -0.879 2.790 1.00 0.00 H new ATOM 1250 N THR A 84 -11.478 0.853 7.330 1.00 0.00 N ATOM 1251 CA THR A 84 -11.242 1.447 8.643 1.00 0.00 C ATOM 1252 C THR A 84 -10.610 0.418 9.573 1.00 0.00 C ATOM 1253 O THR A 84 -10.705 0.523 10.796 1.00 0.00 O ATOM 1254 CB THR A 84 -12.552 1.965 9.251 1.00 0.00 C ATOM 1255 OG1 THR A 84 -12.304 2.642 10.472 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.560 0.871 9.526 1.00 0.00 C ATOM 0 H THR A 84 -11.100 -0.089 7.227 1.00 0.00 H new ATOM 0 HA THR A 84 -10.562 2.290 8.521 1.00 0.00 H new ATOM 0 HB THR A 84 -12.971 2.639 8.504 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.647 2.139 10.998 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.462 1.307 9.955 1.00 0.00 H new ATOM 0 HG22 THR A 84 -13.810 0.364 8.594 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.135 0.153 10.227 1.00 0.00 H new ATOM 1264 N LEU A 85 -9.970 -0.584 8.977 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.334 -1.656 9.732 1.00 0.00 C ATOM 1266 C LEU A 85 -8.069 -1.174 10.432 1.00 0.00 C ATOM 1267 O LEU A 85 -7.289 -1.980 10.939 1.00 0.00 O ATOM 1268 CB LEU A 85 -8.992 -2.821 8.799 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.158 -3.758 8.479 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -9.798 -4.681 7.325 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -10.550 -4.562 9.709 1.00 0.00 C ATOM 0 H LEU A 85 -9.879 -0.675 7.965 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.038 -1.988 10.495 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.604 -2.416 7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.190 -3.405 9.251 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.014 -3.154 8.180 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.639 -5.341 7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.569 -4.086 6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.928 -5.279 7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.381 -5.223 9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.699 -5.157 10.041 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.851 -3.883 10.507 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.869 0.141 10.457 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.692 0.726 11.088 1.00 0.00 C ATOM 1285 C ALA A 86 -6.822 0.740 12.609 1.00 0.00 C ATOM 1286 O ALA A 86 -6.513 1.740 13.258 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.461 2.136 10.563 1.00 0.00 C ATOM 0 H ALA A 86 -8.508 0.822 10.047 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.832 0.106 10.834 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.579 2.563 11.042 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.308 2.102 9.484 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.330 2.754 10.787 1.00 0.00 H new ATOM 1293 N GLY A 87 -7.281 -0.373 13.172 1.00 0.00 N ATOM 1294 CA GLY A 87 -7.401 -0.479 14.613 1.00 0.00 C ATOM 1295 C GLY A 87 -6.098 -0.925 15.243 1.00 0.00 C ATOM 1296 O GLY A 87 -5.935 -0.875 16.462 1.00 0.00 O ATOM 0 H GLY A 87 -7.572 -1.203 12.655 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.696 0.485 15.027 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.190 -1.189 14.863 1.00 0.00 H new ATOM 1300 N LYS A 88 -5.166 -1.350 14.393 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.854 -1.801 14.838 1.00 0.00 C ATOM 1302 C LYS A 88 -2.964 -2.111 13.633 1.00 0.00 C ATOM 1303 O LYS A 88 -2.107 -2.992 13.683 1.00 0.00 O ATOM 1304 CB LYS A 88 -3.988 -3.034 15.743 1.00 0.00 C ATOM 1305 CG LYS A 88 -2.670 -3.528 16.322 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.028 -2.490 17.224 1.00 0.00 C ATOM 1307 CE LYS A 88 -0.568 -2.280 16.865 1.00 0.00 C ATOM 1308 NZ LYS A 88 0.222 -1.766 18.017 1.00 0.00 N ATOM 0 H LYS A 88 -5.300 -1.391 13.383 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.388 -1.003 15.416 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.666 -2.797 16.563 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.447 -3.842 15.173 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.842 -4.444 16.887 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.987 -3.777 15.510 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.566 -1.546 17.137 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.108 -2.808 18.263 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.140 -3.222 16.524 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.496 -1.578 16.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.835 -0.989 17.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.424 -1.417 18.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.808 -2.532 18.406 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.176 -1.386 12.536 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.371 -1.589 11.342 1.00 0.00 C ATOM 1324 C ILE A 89 -1.021 -0.889 11.480 1.00 0.00 C ATOM 1325 O ILE A 89 -0.065 -1.477 11.979 1.00 0.00 O ATOM 1326 CB ILE A 89 -3.086 -1.099 10.070 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.453 -1.784 9.945 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.226 -1.384 8.850 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.278 -1.311 8.766 1.00 0.00 C ATOM 0 H ILE A 89 -3.890 -0.662 12.453 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.214 -2.663 11.242 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.244 -0.022 10.135 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.301 -2.860 9.860 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -5.018 -1.613 10.861 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.739 -1.034 7.954 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.272 -0.866 8.948 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.049 -2.457 8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.229 -1.844 8.750 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.464 -0.241 8.858 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.736 -1.507 7.841 1.00 0.00 H new ATOM 1341 N THR A 90 -0.961 0.376 11.066 1.00 0.00 N ATOM 1342 CA THR A 90 0.266 1.166 11.157 1.00 0.00 C ATOM 1343 C THR A 90 0.828 1.134 12.571 1.00 0.00 C ATOM 1344 O THR A 90 2.042 1.078 12.764 1.00 0.00 O ATOM 1345 CB THR A 90 -0.020 2.604 10.715 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.658 2.890 9.505 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.368 3.678 11.716 1.00 0.00 C ATOM 0 H THR A 90 -1.752 0.878 10.662 1.00 0.00 H new ATOM 0 HA THR A 90 1.017 0.734 10.496 1.00 0.00 H new ATOM 0 HB THR A 90 -1.104 2.639 10.605 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.547 3.251 9.705 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.125 4.660 11.309 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.181 3.525 12.645 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.439 3.622 11.913 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.060 1.177 13.558 1.00 0.00 N ATOM 1356 CA GLY A 91 0.378 1.108 14.933 1.00 0.00 C ATOM 1357 C GLY A 91 1.213 -0.129 15.174 1.00 0.00 C ATOM 1358 O GLY A 91 2.148 -0.117 15.976 1.00 0.00 O ATOM 0 H GLY A 91 -1.069 1.258 13.429 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.959 1.997 15.178 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.488 1.101 15.594 1.00 0.00 H new ATOM 1362 N MET A 92 0.894 -1.192 14.442 1.00 0.00 N ATOM 1363 CA MET A 92 1.631 -2.438 14.550 1.00 0.00 C ATOM 1364 C MET A 92 2.872 -2.392 13.694 1.00 0.00 C ATOM 1365 O MET A 92 3.837 -3.092 13.962 1.00 0.00 O ATOM 1366 CB MET A 92 0.759 -3.618 14.149 1.00 0.00 C ATOM 1367 CG MET A 92 1.502 -4.920 14.144 1.00 0.00 C ATOM 1368 SD MET A 92 0.435 -6.352 13.885 1.00 0.00 S ATOM 1369 CE MET A 92 -0.421 -5.882 12.382 1.00 0.00 C ATOM 0 H MET A 92 0.129 -1.211 13.768 1.00 0.00 H new ATOM 0 HA MET A 92 1.928 -2.568 15.591 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.084 -3.690 14.836 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.347 -3.437 13.156 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.260 -4.894 13.361 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.027 -5.034 15.092 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.981 -6.736 12.000 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.108 -5.063 12.596 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.305 -5.561 11.635 1.00 0.00 H new ATOM 1379 N LEU A 93 2.851 -1.535 12.687 1.00 0.00 N ATOM 1380 CA LEU A 93 3.993 -1.374 11.806 1.00 0.00 C ATOM 1381 C LEU A 93 5.202 -0.882 12.586 1.00 0.00 C ATOM 1382 O LEU A 93 6.310 -0.795 12.056 1.00 0.00 O ATOM 1383 CB LEU A 93 3.648 -0.408 10.687 1.00 0.00 C ATOM 1384 CG LEU A 93 3.005 -1.053 9.458 1.00 0.00 C ATOM 1385 CD1 LEU A 93 3.970 -2.034 8.810 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.711 -1.750 9.842 1.00 0.00 C ATOM 0 H LEU A 93 2.054 -0.940 12.460 1.00 0.00 H new ATOM 0 HA LEU A 93 4.243 -2.341 11.370 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.971 0.351 11.078 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.558 0.106 10.376 1.00 0.00 H new ATOM 0 HG LEU A 93 2.772 -0.271 8.735 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.499 -2.485 7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.873 -1.507 8.503 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.231 -2.814 9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.266 -2.204 8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.920 -2.524 10.581 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.018 -1.023 10.265 1.00 0.00 H new ATOM 1398 N LEU A 94 4.979 -0.571 13.857 1.00 0.00 N ATOM 1399 CA LEU A 94 6.047 -0.161 14.742 1.00 0.00 C ATOM 1400 C LEU A 94 6.312 -1.271 15.750 1.00 0.00 C ATOM 1401 O LEU A 94 6.862 -1.040 16.827 1.00 0.00 O ATOM 1402 CB LEU A 94 5.671 1.139 15.455 1.00 0.00 C ATOM 1403 CG LEU A 94 6.243 2.416 14.827 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.715 2.568 15.179 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.047 2.414 13.314 1.00 0.00 C ATOM 0 H LEU A 94 4.058 -0.597 14.295 1.00 0.00 H new ATOM 0 HA LEU A 94 6.953 0.021 14.164 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.584 1.220 15.479 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.009 1.079 16.489 1.00 0.00 H new ATOM 0 HG LEU A 94 5.701 3.269 15.235 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.105 3.479 14.726 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.826 2.625 16.262 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.270 1.709 14.802 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.461 3.330 12.892 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.557 1.553 12.882 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.983 2.358 13.085 1.00 0.00 H new ATOM 1417 N GLU A 95 5.885 -2.481 15.386 1.00 0.00 N ATOM 1418 CA GLU A 95 6.048 -3.650 16.244 1.00 0.00 C ATOM 1419 C GLU A 95 5.882 -4.952 15.455 1.00 0.00 C ATOM 1420 O GLU A 95 6.026 -6.040 16.015 1.00 0.00 O ATOM 1421 CB GLU A 95 5.044 -3.608 17.402 1.00 0.00 C ATOM 1422 CG GLU A 95 3.643 -4.054 17.017 1.00 0.00 C ATOM 1423 CD GLU A 95 2.766 -4.329 18.224 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.740 -3.484 19.143 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.107 -5.390 18.249 1.00 0.00 O ATOM 0 H GLU A 95 5.422 -2.675 14.498 1.00 0.00 H new ATOM 0 HA GLU A 95 7.061 -3.625 16.647 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.408 -4.243 18.209 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.997 -2.592 17.793 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.177 -3.284 16.402 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.707 -4.955 16.406 1.00 0.00 H new ATOM 1432 N ILE A 96 5.658 -4.837 14.144 1.00 0.00 N ATOM 1433 CA ILE A 96 5.481 -6.016 13.288 1.00 0.00 C ATOM 1434 C ILE A 96 6.731 -6.898 13.272 1.00 0.00 C ATOM 1435 O ILE A 96 7.528 -6.897 14.211 1.00 0.00 O ATOM 1436 CB ILE A 96 5.179 -5.636 11.818 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.376 -4.918 11.178 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.920 -4.799 11.697 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.761 -3.624 11.852 1.00 0.00 C ATOM 0 H ILE A 96 5.595 -3.945 13.653 1.00 0.00 H new ATOM 0 HA ILE A 96 4.636 -6.554 13.717 1.00 0.00 H new ATOM 0 HB ILE A 96 5.006 -6.565 11.274 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.235 -5.589 11.190 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.145 -4.714 10.132 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.745 -4.554 10.649 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.071 -5.361 12.085 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.038 -3.879 12.269 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.614 -3.185 11.336 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.920 -2.931 11.817 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.027 -3.820 12.891 1.00 0.00 H new ATOM 1451 N ASP A 97 6.907 -7.621 12.166 1.00 0.00 N ATOM 1452 CA ASP A 97 8.061 -8.486 11.966 1.00 0.00 C ATOM 1453 C ASP A 97 9.365 -7.693 12.028 1.00 0.00 C ATOM 1454 O ASP A 97 10.451 -8.261 11.900 1.00 0.00 O ATOM 1455 CB ASP A 97 7.940 -9.179 10.610 1.00 0.00 C ATOM 1456 CG ASP A 97 8.562 -10.562 10.605 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.097 -11.424 11.379 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.515 -10.782 9.828 1.00 0.00 O ATOM 0 H ASP A 97 6.251 -7.621 11.385 1.00 0.00 H new ATOM 0 HA ASP A 97 8.081 -9.228 12.764 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.887 -9.257 10.339 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.421 -8.565 9.848 1.00 0.00 H new ATOM 1463 N ASN A 98 9.237 -6.376 12.202 1.00 0.00 N ATOM 1464 CA ASN A 98 10.380 -5.469 12.291 1.00 0.00 C ATOM 1465 C ASN A 98 10.958 -5.161 10.915 1.00 0.00 C ATOM 1466 O ASN A 98 11.479 -4.069 10.683 1.00 0.00 O ATOM 1467 CB ASN A 98 11.470 -6.033 13.209 1.00 0.00 C ATOM 1468 CG ASN A 98 11.419 -5.436 14.601 1.00 0.00 C ATOM 1469 OD1 ASN A 98 11.858 -4.307 14.823 1.00 0.00 O ATOM 1470 ND2 ASN A 98 10.883 -6.195 15.550 1.00 0.00 N ATOM 0 H ASN A 98 8.334 -5.908 12.285 1.00 0.00 H new ATOM 0 HA ASN A 98 10.014 -4.538 12.723 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.360 -7.115 13.277 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.448 -5.839 12.769 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.823 -5.848 16.507 1.00 0.00 H new ATOM 0 HD22 ASN A 98 10.531 -7.125 15.322 1.00 0.00 H new ATOM 1477 N SER A 99 10.858 -6.119 10.006 1.00 0.00 N ATOM 1478 CA SER A 99 11.343 -5.925 8.646 1.00 0.00 C ATOM 1479 C SER A 99 10.408 -4.991 7.890 1.00 0.00 C ATOM 1480 O SER A 99 10.832 -4.251 7.002 1.00 0.00 O ATOM 1481 CB SER A 99 11.455 -7.264 7.918 1.00 0.00 C ATOM 1482 OG SER A 99 11.870 -8.291 8.800 1.00 0.00 O ATOM 0 H SER A 99 10.447 -7.036 10.183 1.00 0.00 H new ATOM 0 HA SER A 99 12.335 -5.476 8.691 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.492 -7.524 7.479 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.166 -7.176 7.097 1.00 0.00 H new ATOM 0 HG SER A 99 11.932 -9.138 8.310 1.00 0.00 H new ATOM 1488 N GLU A 100 9.135 -5.017 8.271 1.00 0.00 N ATOM 1489 CA GLU A 100 8.135 -4.141 7.676 1.00 0.00 C ATOM 1490 C GLU A 100 8.257 -2.748 8.266 1.00 0.00 C ATOM 1491 O GLU A 100 7.845 -1.767 7.652 1.00 0.00 O ATOM 1492 CB GLU A 100 6.736 -4.706 7.901 1.00 0.00 C ATOM 1493 CG GLU A 100 6.704 -6.224 7.931 1.00 0.00 C ATOM 1494 CD GLU A 100 5.496 -6.799 7.219 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.360 -6.460 7.609 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.687 -7.593 6.273 1.00 0.00 O ATOM 0 H GLU A 100 8.771 -5.639 8.993 1.00 0.00 H new ATOM 0 HA GLU A 100 8.306 -4.080 6.601 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.343 -4.322 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.075 -4.350 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.612 -6.611 7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.705 -6.563 8.967 1.00 0.00 H new ATOM 1503 N LEU A 101 8.858 -2.673 9.449 1.00 0.00 N ATOM 1504 CA LEU A 101 9.105 -1.399 10.109 1.00 0.00 C ATOM 1505 C LEU A 101 10.269 -0.681 9.433 1.00 0.00 C ATOM 1506 O LEU A 101 10.383 0.541 9.492 1.00 0.00 O ATOM 1507 CB LEU A 101 9.416 -1.625 11.592 1.00 0.00 C ATOM 1508 CG LEU A 101 10.147 -0.478 12.295 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.148 0.488 12.909 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.094 -1.020 13.354 1.00 0.00 C ATOM 0 H LEU A 101 9.184 -3.486 9.972 1.00 0.00 H new ATOM 0 HA LEU A 101 8.212 -0.780 10.029 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.479 -1.812 12.117 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.019 -2.528 11.685 1.00 0.00 H new ATOM 0 HG LEU A 101 10.737 0.063 11.556 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.683 1.298 13.405 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.511 0.900 12.126 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.532 -0.040 13.637 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.605 -0.191 13.844 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.527 -1.585 14.094 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.829 -1.673 12.884 1.00 0.00 H new ATOM 1522 N LEU A 102 11.134 -1.465 8.798 1.00 0.00 N ATOM 1523 CA LEU A 102 12.310 -0.933 8.118 1.00 0.00 C ATOM 1524 C LEU A 102 12.008 -0.610 6.667 1.00 0.00 C ATOM 1525 O LEU A 102 12.374 0.455 6.172 1.00 0.00 O ATOM 1526 CB LEU A 102 13.455 -1.944 8.195 1.00 0.00 C ATOM 1527 CG LEU A 102 14.511 -1.648 9.262 1.00 0.00 C ATOM 1528 CD1 LEU A 102 13.996 -2.032 10.641 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.805 -2.383 8.949 1.00 0.00 C ATOM 0 H LEU A 102 11.041 -2.479 8.740 1.00 0.00 H new ATOM 0 HA LEU A 102 12.601 -0.009 8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.035 -2.932 8.386 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.946 -1.989 7.223 1.00 0.00 H new ATOM 0 HG LEU A 102 14.716 -0.577 9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.760 -1.815 11.388 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.096 -1.460 10.865 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.763 -3.097 10.659 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.545 -2.161 9.718 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.617 -3.456 8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.182 -2.059 7.979 1.00 0.00 H new ATOM 1541 N HIS A 103 11.350 -1.531 5.985 1.00 0.00 N ATOM 1542 CA HIS A 103 11.027 -1.342 4.587 1.00 0.00 C ATOM 1543 C HIS A 103 10.065 -0.171 4.398 1.00 0.00 C ATOM 1544 O HIS A 103 10.190 0.594 3.442 1.00 0.00 O ATOM 1545 CB HIS A 103 10.433 -2.629 4.022 1.00 0.00 C ATOM 1546 CG HIS A 103 11.035 -3.044 2.716 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.437 -2.115 1.786 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.284 -4.287 2.236 1.00 0.00 C ATOM 1549 CE1 HIS A 103 11.916 -2.805 0.768 1.00 0.00 C ATOM 1550 NE2 HIS A 103 11.844 -4.124 0.995 1.00 0.00 N ATOM 0 H HIS A 103 11.030 -2.416 6.379 1.00 0.00 H new ATOM 0 HA HIS A 103 11.942 -1.104 4.045 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.570 -3.431 4.747 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.359 -2.497 3.892 1.00 0.00 H new ATOM 0 HD2 HIS A 103 11.081 -5.224 2.734 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.315 -2.363 -0.133 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.148 -4.866 0.364 1.00 0.00 H new ATOM 1558 N MET A 104 9.120 -0.022 5.323 1.00 0.00 N ATOM 1559 CA MET A 104 8.136 1.052 5.253 1.00 0.00 C ATOM 1560 C MET A 104 8.801 2.425 5.293 1.00 0.00 C ATOM 1561 O MET A 104 8.325 3.368 4.666 1.00 0.00 O ATOM 1562 CB MET A 104 7.147 0.927 6.413 1.00 0.00 C ATOM 1563 CG MET A 104 7.799 1.098 7.768 1.00 0.00 C ATOM 1564 SD MET A 104 6.784 2.048 8.914 1.00 0.00 S ATOM 1565 CE MET A 104 5.165 1.390 8.535 1.00 0.00 C ATOM 0 H MET A 104 9.016 -0.634 6.132 1.00 0.00 H new ATOM 0 HA MET A 104 7.607 0.959 4.304 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.363 1.675 6.297 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.665 -0.050 6.369 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.001 0.116 8.196 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.761 1.595 7.643 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.492 1.575 9.372 1.00 0.00 H new ATOM 0 HE2 MET A 104 4.775 1.876 7.641 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.240 0.317 8.360 1.00 0.00 H new ATOM 1575 N LEU A 105 9.870 2.544 6.078 1.00 0.00 N ATOM 1576 CA LEU A 105 10.597 3.803 6.195 1.00 0.00 C ATOM 1577 C LEU A 105 11.655 3.907 5.117 1.00 0.00 C ATOM 1578 O LEU A 105 12.327 4.930 4.982 1.00 0.00 O ATOM 1579 CB LEU A 105 11.268 3.914 7.566 1.00 0.00 C ATOM 1580 CG LEU A 105 10.431 3.419 8.740 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.261 3.400 10.015 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.202 4.291 8.912 1.00 0.00 C ATOM 0 H LEU A 105 10.250 1.784 6.641 1.00 0.00 H new ATOM 0 HA LEU A 105 9.879 4.615 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.201 3.351 7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.530 4.958 7.741 1.00 0.00 H new ATOM 0 HG LEU A 105 10.105 2.400 8.532 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.648 3.044 10.843 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.115 2.735 9.884 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.616 4.407 10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.613 3.927 9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.509 5.319 9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.600 4.254 8.004 1.00 0.00 H new ATOM 1594 N GLU A 106 11.816 2.829 4.369 1.00 0.00 N ATOM 1595 CA GLU A 106 12.854 2.759 3.364 1.00 0.00 C ATOM 1596 C GLU A 106 12.300 2.795 1.945 1.00 0.00 C ATOM 1597 O GLU A 106 13.051 2.986 0.989 1.00 0.00 O ATOM 1598 CB GLU A 106 13.654 1.473 3.569 1.00 0.00 C ATOM 1599 CG GLU A 106 14.656 1.560 4.703 1.00 0.00 C ATOM 1600 CD GLU A 106 15.582 2.756 4.584 1.00 0.00 C ATOM 1601 OE1 GLU A 106 16.057 3.029 3.463 1.00 0.00 O ATOM 1602 OE2 GLU A 106 15.831 3.417 5.614 1.00 0.00 O ATOM 0 H GLU A 106 11.239 1.991 4.441 1.00 0.00 H new ATOM 0 HA GLU A 106 13.490 3.636 3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.964 0.653 3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.181 1.231 2.646 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.120 1.615 5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 106 15.251 0.647 4.726 1.00 0.00 H new ATOM 1609 N SER A 107 10.994 2.606 1.801 1.00 0.00 N ATOM 1610 CA SER A 107 10.392 2.556 0.480 1.00 0.00 C ATOM 1611 C SER A 107 9.066 3.313 0.419 1.00 0.00 C ATOM 1612 O SER A 107 8.234 3.199 1.319 1.00 0.00 O ATOM 1613 CB SER A 107 10.169 1.100 0.097 1.00 0.00 C ATOM 1614 OG SER A 107 11.103 0.673 -0.878 1.00 0.00 O ATOM 0 H SER A 107 10.340 2.486 2.575 1.00 0.00 H new ATOM 0 HA SER A 107 11.072 3.040 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.254 0.472 0.984 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.157 0.974 -0.287 1.00 0.00 H new ATOM 0 HG SER A 107 10.936 -0.266 -1.102 1.00 0.00 H new ATOM 1620 N PRO A 108 8.827 4.058 -0.681 1.00 0.00 N ATOM 1621 CA PRO A 108 7.591 4.828 -0.874 1.00 0.00 C ATOM 1622 C PRO A 108 6.397 3.936 -1.213 1.00 0.00 C ATOM 1623 O PRO A 108 5.385 4.407 -1.732 1.00 0.00 O ATOM 1624 CB PRO A 108 7.913 5.757 -2.057 1.00 0.00 C ATOM 1625 CG PRO A 108 9.380 5.613 -2.300 1.00 0.00 C ATOM 1626 CD PRO A 108 9.752 4.248 -1.805 1.00 0.00 C ATOM 0 HA PRO A 108 7.306 5.360 0.034 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.341 5.477 -2.941 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.655 6.790 -1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.612 5.720 -3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.940 6.385 -1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.619 3.487 -2.574 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.793 4.201 -1.487 1.00 0.00 H new ATOM 1634 N GLU A 109 6.518 2.651 -0.897 1.00 0.00 N ATOM 1635 CA GLU A 109 5.456 1.684 -1.164 1.00 0.00 C ATOM 1636 C GLU A 109 5.421 0.603 -0.093 1.00 0.00 C ATOM 1637 O GLU A 109 4.372 0.023 0.170 1.00 0.00 O ATOM 1638 CB GLU A 109 5.653 1.062 -2.552 1.00 0.00 C ATOM 1639 CG GLU A 109 5.456 -0.444 -2.595 1.00 0.00 C ATOM 1640 CD GLU A 109 5.213 -0.961 -3.999 1.00 0.00 C ATOM 1641 OE1 GLU A 109 4.102 -0.746 -4.526 1.00 0.00 O ATOM 1642 OE2 GLU A 109 6.134 -1.580 -4.572 1.00 0.00 O ATOM 0 H GLU A 109 7.345 2.252 -0.453 1.00 0.00 H new ATOM 0 HA GLU A 109 4.499 2.206 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.956 1.528 -3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.658 1.296 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.336 -0.934 -2.179 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.611 -0.714 -1.961 1.00 0.00 H new ATOM 1649 N SER A 110 6.558 0.350 0.547 1.00 0.00 N ATOM 1650 CA SER A 110 6.615 -0.642 1.605 1.00 0.00 C ATOM 1651 C SER A 110 5.719 -0.211 2.747 1.00 0.00 C ATOM 1652 O SER A 110 4.941 -0.999 3.265 1.00 0.00 O ATOM 1653 CB SER A 110 8.041 -0.834 2.095 1.00 0.00 C ATOM 1654 OG SER A 110 8.559 -2.077 1.659 1.00 0.00 O ATOM 0 H SER A 110 7.444 0.816 0.351 1.00 0.00 H new ATOM 0 HA SER A 110 6.267 -1.597 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.669 -0.023 1.726 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.066 -0.786 3.184 1.00 0.00 H new ATOM 0 HG SER A 110 9.479 -1.956 1.345 1.00 0.00 H new ATOM 1660 N LEU A 111 5.756 1.076 3.055 1.00 0.00 N ATOM 1661 CA LEU A 111 4.873 1.650 4.054 1.00 0.00 C ATOM 1662 C LEU A 111 3.445 1.165 3.801 1.00 0.00 C ATOM 1663 O LEU A 111 2.657 0.984 4.727 1.00 0.00 O ATOM 1664 CB LEU A 111 4.963 3.180 3.953 1.00 0.00 C ATOM 1665 CG LEU A 111 4.466 4.003 5.150 1.00 0.00 C ATOM 1666 CD1 LEU A 111 3.069 3.584 5.576 1.00 0.00 C ATOM 1667 CD2 LEU A 111 5.444 3.910 6.308 1.00 0.00 C ATOM 0 H LEU A 111 6.393 1.745 2.623 1.00 0.00 H new ATOM 0 HA LEU A 111 5.164 1.340 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.005 3.444 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.399 3.492 3.074 1.00 0.00 H new ATOM 0 HG LEU A 111 4.408 5.045 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.751 4.188 6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.377 3.731 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.076 2.532 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 111 5.073 4.500 7.146 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.547 2.869 6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 111 6.415 4.294 5.996 1.00 0.00 H new ATOM 1679 N ARG A 112 3.156 0.868 2.538 1.00 0.00 N ATOM 1680 CA ARG A 112 1.837 0.399 2.137 1.00 0.00 C ATOM 1681 C ARG A 112 1.771 -1.117 2.053 1.00 0.00 C ATOM 1682 O ARG A 112 1.042 -1.751 2.809 1.00 0.00 O ATOM 1683 CB ARG A 112 1.467 1.021 0.802 1.00 0.00 C ATOM 1684 CG ARG A 112 1.092 2.469 0.958 1.00 0.00 C ATOM 1685 CD ARG A 112 1.297 3.252 -0.328 1.00 0.00 C ATOM 1686 NE ARG A 112 0.744 2.557 -1.486 1.00 0.00 N ATOM 1687 CZ ARG A 112 1.166 2.745 -2.733 1.00 0.00 C ATOM 1688 NH1 ARG A 112 2.144 3.606 -2.982 1.00 0.00 N ATOM 1689 NH2 ARG A 112 0.611 2.072 -3.731 1.00 0.00 N ATOM 0 H ARG A 112 3.824 0.945 1.771 1.00 0.00 H new ATOM 0 HA ARG A 112 1.121 0.707 2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 112 2.307 0.933 0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.634 0.473 0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.049 2.542 1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.690 2.915 1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.828 4.231 -0.235 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.362 3.423 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.010 1.888 -1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 112 2.574 4.125 -2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.466 3.749 -3.939 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.141 1.409 -3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.936 2.217 -4.687 1.00 0.00 H new ATOM 1703 N SER A 113 2.520 -1.693 1.121 1.00 0.00 N ATOM 1704 CA SER A 113 2.548 -3.141 0.956 1.00 0.00 C ATOM 1705 C SER A 113 2.718 -3.823 2.308 1.00 0.00 C ATOM 1706 O SER A 113 2.281 -4.956 2.503 1.00 0.00 O ATOM 1707 CB SER A 113 3.685 -3.548 0.016 1.00 0.00 C ATOM 1708 OG SER A 113 3.798 -4.959 -0.067 1.00 0.00 O ATOM 0 H SER A 113 3.115 -1.181 0.469 1.00 0.00 H new ATOM 0 HA SER A 113 1.601 -3.458 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.506 -3.135 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.624 -3.125 0.372 1.00 0.00 H new ATOM 0 HG SER A 113 4.530 -5.193 -0.675 1.00 0.00 H new ATOM 1714 N LYS A 114 3.386 -3.131 3.227 1.00 0.00 N ATOM 1715 CA LYS A 114 3.579 -3.646 4.577 1.00 0.00 C ATOM 1716 C LYS A 114 2.337 -3.411 5.426 1.00 0.00 C ATOM 1717 O LYS A 114 1.933 -4.284 6.189 1.00 0.00 O ATOM 1718 CB LYS A 114 4.801 -3.011 5.245 1.00 0.00 C ATOM 1719 CG LYS A 114 6.110 -3.309 4.529 1.00 0.00 C ATOM 1720 CD LYS A 114 6.388 -4.803 4.455 1.00 0.00 C ATOM 1721 CE LYS A 114 7.182 -5.163 3.210 1.00 0.00 C ATOM 1722 NZ LYS A 114 7.294 -6.637 3.029 1.00 0.00 N ATOM 0 H LYS A 114 3.801 -2.214 3.061 1.00 0.00 H new ATOM 0 HA LYS A 114 3.753 -4.719 4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.659 -1.931 5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.869 -3.368 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 114 6.075 -2.896 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.929 -2.812 5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.939 -5.116 5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.445 -5.350 4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.702 -4.725 2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 114 8.179 -4.729 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.842 -6.840 2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.774 -7.052 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 6.343 -7.049 2.939 1.00 0.00 H new ATOM 1736 N VAL A 115 1.741 -2.222 5.305 1.00 0.00 N ATOM 1737 CA VAL A 115 0.536 -1.905 6.060 1.00 0.00 C ATOM 1738 C VAL A 115 -0.612 -2.807 5.621 1.00 0.00 C ATOM 1739 O VAL A 115 -1.138 -3.579 6.421 1.00 0.00 O ATOM 1740 CB VAL A 115 0.146 -0.415 5.911 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.362 -0.211 5.994 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.844 0.410 6.979 1.00 0.00 C ATOM 0 H VAL A 115 2.072 -1.473 4.697 1.00 0.00 H new ATOM 0 HA VAL A 115 0.744 -2.085 7.115 1.00 0.00 H new ATOM 0 HB VAL A 115 0.468 -0.084 4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.592 0.849 5.885 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.850 -0.772 5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.724 -0.563 6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.566 1.458 6.869 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.544 0.057 7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.924 0.308 6.870 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.967 -2.733 4.340 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.037 -3.559 3.791 1.00 0.00 C ATOM 1754 C ASP A 116 -1.846 -5.025 4.178 1.00 0.00 C ATOM 1755 O ASP A 116 -2.808 -5.720 4.514 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.084 -3.422 2.267 1.00 0.00 C ATOM 1757 CG ASP A 116 -2.905 -4.515 1.608 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.971 -4.871 2.154 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -2.483 -5.013 0.542 1.00 0.00 O ATOM 0 H ASP A 116 -0.528 -2.109 3.663 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.982 -3.212 4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.503 -2.450 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.068 -3.447 1.872 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.600 -5.490 4.136 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.289 -6.866 4.502 1.00 0.00 C ATOM 1766 C GLU A 117 -0.378 -7.045 6.010 1.00 0.00 C ATOM 1767 O GLU A 117 -0.772 -8.104 6.499 1.00 0.00 O ATOM 1768 CB GLU A 117 1.110 -7.250 4.014 1.00 0.00 C ATOM 1769 CG GLU A 117 1.137 -7.852 2.614 1.00 0.00 C ATOM 1770 CD GLU A 117 -0.127 -7.577 1.820 1.00 0.00 C ATOM 1771 OE1 GLU A 117 -0.273 -6.447 1.308 1.00 0.00 O ATOM 1772 OE2 GLU A 117 -0.969 -8.493 1.710 1.00 0.00 O ATOM 0 H GLU A 117 0.207 -4.935 3.853 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.018 -7.520 4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.744 -6.364 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.544 -7.964 4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 117 1.994 -7.453 2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.282 -8.929 2.692 1.00 0.00 H new ATOM 1779 N ALA A 118 -0.016 -5.998 6.745 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.092 -6.030 8.196 1.00 0.00 C ATOM 1781 C ALA A 118 -1.542 -6.072 8.638 1.00 0.00 C ATOM 1782 O ALA A 118 -1.851 -6.507 9.743 1.00 0.00 O ATOM 1783 CB ALA A 118 0.625 -4.841 8.810 1.00 0.00 C ATOM 0 H ALA A 118 0.332 -5.121 6.358 1.00 0.00 H new ATOM 0 HA ALA A 118 0.409 -6.932 8.547 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.551 -4.893 9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.675 -4.858 8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.165 -3.917 8.458 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.431 -5.632 7.753 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.856 -5.682 8.024 1.00 0.00 C ATOM 1791 C VAL A 119 -4.319 -7.123 8.062 1.00 0.00 C ATOM 1792 O VAL A 119 -5.042 -7.533 8.966 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.665 -4.931 6.967 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.124 -4.865 7.385 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.087 -3.545 6.750 1.00 0.00 C ATOM 0 H VAL A 119 -2.186 -5.238 6.845 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.022 -5.201 8.988 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.607 -5.467 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.696 -4.329 6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.519 -5.876 7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.206 -4.343 8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.673 -3.021 5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.119 -2.987 7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.054 -3.630 6.413 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.882 -7.888 7.073 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.195 -9.302 7.009 1.00 0.00 C ATOM 1807 C ALA A 120 -3.621 -10.008 8.232 1.00 0.00 C ATOM 1808 O ALA A 120 -4.195 -10.968 8.748 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.633 -9.897 5.729 1.00 0.00 C ATOM 0 H ALA A 120 -3.307 -7.548 6.302 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.277 -9.438 7.005 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.871 -10.960 5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.073 -9.392 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.551 -9.767 5.712 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.494 -9.485 8.703 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.814 -10.016 9.873 1.00 0.00 C ATOM 1817 C VAL A 121 -2.492 -9.535 11.153 1.00 0.00 C ATOM 1818 O VAL A 121 -2.492 -10.228 12.170 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.335 -9.575 9.869 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.285 -9.693 11.251 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.450 -10.384 8.851 1.00 0.00 C ATOM 0 H VAL A 121 -2.028 -8.681 8.282 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.866 -11.104 9.838 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.296 -8.523 9.585 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.327 -9.374 11.211 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.261 -9.060 11.950 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.235 -10.729 11.585 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.492 -10.064 8.857 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.394 -11.442 9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.028 -10.227 7.858 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.066 -8.341 11.087 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.752 -7.753 12.227 1.00 0.00 C ATOM 1833 C LEU A 122 -5.097 -8.433 12.442 1.00 0.00 C ATOM 1834 O LEU A 122 -5.484 -8.723 13.572 1.00 0.00 O ATOM 1835 CB LEU A 122 -3.929 -6.242 12.011 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.365 -5.713 12.100 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.532 -4.857 13.341 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.720 -4.919 10.854 1.00 0.00 C ATOM 0 H LEU A 122 -3.069 -7.758 10.250 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.149 -7.904 13.122 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.323 -5.716 12.749 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.529 -5.986 11.030 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.044 -6.563 12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.556 -4.487 13.393 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.317 -5.455 14.227 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.843 -4.013 13.296 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.743 -4.552 10.936 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.038 -4.074 10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.634 -5.560 9.977 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.799 -8.687 11.344 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.087 -9.361 11.402 1.00 0.00 C ATOM 1852 C GLN A 123 -6.913 -10.749 11.998 1.00 0.00 C ATOM 1853 O GLN A 123 -7.799 -11.266 12.679 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.700 -9.451 10.003 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.356 -8.159 9.544 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.520 -7.751 10.425 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -9.341 -7.068 11.434 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -10.723 -8.168 10.048 1.00 0.00 N ATOM 0 H GLN A 123 -5.496 -8.436 10.403 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.763 -8.787 12.036 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.922 -9.727 9.291 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.441 -10.250 9.991 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.613 -7.361 9.537 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.706 -8.278 8.518 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.826 -8.732 9.205 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.544 -7.924 10.602 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.740 -11.328 11.763 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.399 -12.632 12.313 1.00 0.00 C ATOM 1869 C ALA A 124 -5.137 -12.526 13.807 1.00 0.00 C ATOM 1870 O ALA A 124 -5.737 -13.233 14.600 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.183 -13.199 11.597 1.00 0.00 C ATOM 0 H ALA A 124 -5.006 -10.910 11.191 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.240 -13.308 12.160 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.936 -14.175 12.016 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.403 -13.305 10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.337 -12.524 11.726 1.00 0.00 H new