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 113 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 103 HIS :FLIP no HD1:sc= -0.841 F(o=-2.2,f=-1.5) USER MOD Set 2.2: A 110 SER OG : rot 120:sc= -0.668 USER MOD Set 3.1: A 79 GLN : amide:sc= -0.219 X(o=0.17,f=0.35) USER MOD Set 3.2: A 84 THR OG1 : rot -47:sc= 0.389 USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= -0.811 USER MOD Set 4.2: A 57 MET CE :methyl -179:sc= -1.71 (180deg=-1.78) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -39:sc= 0.207 USER MOD Single : A 66 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.077) 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) USER MOD Single : A 69 MET CE :methyl -160:sc= 0 (180deg=-0.763) USER MOD Single : A 81 MET CE :methyl -140:sc= -1.31 (180deg=-4.1!) USER MOD Single : A 82 HIS : no HD1:sc= -15.3! C(o=-15!,f=-17!) USER MOD Single : A 88 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.924) USER MOD Single : A 90 THR OG1 : rot -69:sc= -3.17! USER MOD Single : A 92 MET CE :methyl 150:sc= -1.11 (180deg=-3.21!) USER MOD Single : A 98 ASN : amide:sc= -0.0654 K(o=-0.065,f=-0.69) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -141:sc= -10! (180deg=-10.4!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.693 9.421 3.959 1.00 0.00 N ATOM 766 CA LEU A 53 1.826 9.065 4.807 1.00 0.00 C ATOM 767 C LEU A 53 2.562 7.851 4.248 1.00 0.00 C ATOM 768 O LEU A 53 1.941 6.895 3.785 1.00 0.00 O ATOM 769 CB LEU A 53 1.341 8.756 6.224 1.00 0.00 C ATOM 770 CG LEU A 53 2.060 9.484 7.370 1.00 0.00 C ATOM 771 CD1 LEU A 53 3.337 8.754 7.748 1.00 0.00 C ATOM 772 CD2 LEU A 53 2.358 10.931 7.015 1.00 0.00 C ATOM 0 HA LEU A 53 2.512 9.911 4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.279 8.996 6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.435 7.683 6.390 1.00 0.00 H new ATOM 0 HG LEU A 53 1.390 9.487 8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.832 9.285 8.561 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.095 7.741 8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.001 8.712 6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.867 11.413 7.850 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.997 10.965 6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.425 11.454 6.808 1.00 0.00 H new ATOM 784 N THR A 54 3.890 7.902 4.294 1.00 0.00 N ATOM 785 CA THR A 54 4.730 6.803 3.819 1.00 0.00 C ATOM 786 C THR A 54 6.196 7.078 4.131 1.00 0.00 C ATOM 787 O THR A 54 6.513 7.946 4.944 1.00 0.00 O ATOM 788 CB THR A 54 4.558 6.577 2.311 1.00 0.00 C ATOM 789 OG1 THR A 54 3.612 7.479 1.763 1.00 0.00 O ATOM 790 CG2 THR A 54 4.113 5.170 1.966 1.00 0.00 C ATOM 0 H THR A 54 4.413 8.699 4.658 1.00 0.00 H new ATOM 0 HA THR A 54 4.413 5.900 4.341 1.00 0.00 H new ATOM 0 HB THR A 54 5.546 6.745 1.882 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.522 7.315 0.801 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.010 5.076 0.885 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.855 4.456 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.154 4.965 2.441 1.00 0.00 H new ATOM 798 N ALA A 55 7.087 6.342 3.473 1.00 0.00 N ATOM 799 CA ALA A 55 8.520 6.498 3.689 1.00 0.00 C ATOM 800 C ALA A 55 8.977 7.924 3.400 1.00 0.00 C ATOM 801 O ALA A 55 9.763 8.494 4.155 1.00 0.00 O ATOM 802 CB ALA A 55 9.293 5.510 2.835 1.00 0.00 C ATOM 0 H ALA A 55 6.840 5.631 2.785 1.00 0.00 H new ATOM 0 HA ALA A 55 8.723 6.291 4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.362 5.639 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.002 4.494 3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.071 5.687 1.783 1.00 0.00 H new ATOM 808 N SER A 56 8.488 8.491 2.300 1.00 0.00 N ATOM 809 CA SER A 56 8.849 9.854 1.924 1.00 0.00 C ATOM 810 C SER A 56 8.514 10.825 3.051 1.00 0.00 C ATOM 811 O SER A 56 9.325 11.680 3.410 1.00 0.00 O ATOM 812 CB SER A 56 8.121 10.266 0.644 1.00 0.00 C ATOM 813 OG SER A 56 8.386 9.356 -0.410 1.00 0.00 O ATOM 0 H SER A 56 7.844 8.030 1.657 1.00 0.00 H new ATOM 0 HA SER A 56 9.923 9.886 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.048 10.309 0.830 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.434 11.268 0.351 1.00 0.00 H new ATOM 0 HG SER A 56 7.908 9.641 -1.216 1.00 0.00 H new ATOM 819 N MET A 57 7.320 10.673 3.614 1.00 0.00 N ATOM 820 CA MET A 57 6.881 11.517 4.718 1.00 0.00 C ATOM 821 C MET A 57 7.803 11.347 5.918 1.00 0.00 C ATOM 822 O MET A 57 8.142 12.312 6.600 1.00 0.00 O ATOM 823 CB MET A 57 5.447 11.163 5.115 1.00 0.00 C ATOM 824 CG MET A 57 4.381 11.736 4.189 1.00 0.00 C ATOM 825 SD MET A 57 5.045 12.348 2.626 1.00 0.00 S ATOM 826 CE MET A 57 4.740 10.943 1.558 1.00 0.00 C ATOM 0 H MET A 57 6.639 9.972 3.323 1.00 0.00 H new ATOM 0 HA MET A 57 6.916 12.556 4.391 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.346 10.078 5.139 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.263 11.522 6.128 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.637 10.966 3.983 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.865 12.549 4.700 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.112 11.159 0.557 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.253 10.067 1.954 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.669 10.747 1.512 1.00 0.00 H new ATOM 836 N LEU A 58 8.202 10.104 6.165 1.00 0.00 N ATOM 837 CA LEU A 58 9.094 9.788 7.273 1.00 0.00 C ATOM 838 C LEU A 58 10.425 10.510 7.108 1.00 0.00 C ATOM 839 O LEU A 58 10.949 11.098 8.055 1.00 0.00 O ATOM 840 CB LEU A 58 9.335 8.275 7.334 1.00 0.00 C ATOM 841 CG LEU A 58 8.187 7.417 7.891 1.00 0.00 C ATOM 842 CD1 LEU A 58 6.911 8.230 8.087 1.00 0.00 C ATOM 843 CD2 LEU A 58 7.928 6.236 6.968 1.00 0.00 C ATOM 0 H LEU A 58 7.920 9.296 5.610 1.00 0.00 H new ATOM 0 HA LEU A 58 8.626 10.119 8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.564 7.926 6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.221 8.095 7.943 1.00 0.00 H new ATOM 0 HG LEU A 58 8.490 7.050 8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.126 7.585 8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.101 9.042 8.789 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.593 8.645 7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.114 5.633 7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.656 6.601 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.829 5.627 6.895 1.00 0.00 H new ATOM 855 N ALA A 59 10.961 10.463 5.894 1.00 0.00 N ATOM 856 CA ALA A 59 12.233 11.108 5.586 1.00 0.00 C ATOM 857 C ALA A 59 12.099 12.627 5.615 1.00 0.00 C ATOM 858 O ALA A 59 13.093 13.349 5.541 1.00 0.00 O ATOM 859 CB ALA A 59 12.742 10.646 4.229 1.00 0.00 C ATOM 0 H ALA A 59 10.532 9.983 5.103 1.00 0.00 H new ATOM 0 HA ALA A 59 12.955 10.819 6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.692 11.135 4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.885 9.565 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.015 10.906 3.460 1.00 0.00 H new ATOM 865 N SER A 60 10.862 13.104 5.718 1.00 0.00 N ATOM 866 CA SER A 60 10.596 14.538 5.757 1.00 0.00 C ATOM 867 C SER A 60 10.792 15.089 7.167 1.00 0.00 C ATOM 868 O SER A 60 10.777 16.303 7.376 1.00 0.00 O ATOM 869 CB SER A 60 9.173 14.828 5.276 1.00 0.00 C ATOM 870 OG SER A 60 8.975 16.217 5.073 1.00 0.00 O ATOM 0 H SER A 60 10.029 12.519 5.776 1.00 0.00 H new ATOM 0 HA SER A 60 11.304 15.032 5.091 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.984 14.291 4.347 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.456 14.459 6.009 1.00 0.00 H new ATOM 0 HG SER A 60 9.431 16.719 5.780 1.00 0.00 H new ATOM 876 N ALA A 61 10.981 14.190 8.127 1.00 0.00 N ATOM 877 CA ALA A 61 11.187 14.585 9.518 1.00 0.00 C ATOM 878 C ALA A 61 12.362 13.826 10.140 1.00 0.00 C ATOM 879 O ALA A 61 12.199 13.149 11.156 1.00 0.00 O ATOM 880 CB ALA A 61 9.917 14.348 10.323 1.00 0.00 C ATOM 0 H ALA A 61 10.996 13.182 7.969 1.00 0.00 H new ATOM 0 HA ALA A 61 11.427 15.648 9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.082 14.646 11.359 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.103 14.938 9.901 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.655 13.290 10.287 1.00 0.00 H new ATOM 946 N GLN A 66 10.979 11.005 12.511 1.00 0.00 N ATOM 947 CA GLN A 66 11.494 10.036 11.550 1.00 0.00 C ATOM 948 C GLN A 66 11.135 8.619 11.968 1.00 0.00 C ATOM 949 O GLN A 66 11.080 7.708 11.142 1.00 0.00 O ATOM 950 CB GLN A 66 13.008 10.159 11.430 1.00 0.00 C ATOM 951 CG GLN A 66 13.503 10.054 10.001 1.00 0.00 C ATOM 952 CD GLN A 66 14.911 9.499 9.908 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.783 10.091 9.271 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.138 8.355 10.541 1.00 0.00 N ATOM 0 HA GLN A 66 11.037 10.247 10.583 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.323 11.115 11.848 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.478 9.379 12.029 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.827 9.415 9.433 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.474 11.040 9.538 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.385 7.899 11.057 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.065 7.931 10.512 1.00 0.00 H new ATOM 963 N LYS A 67 10.919 8.443 13.264 1.00 0.00 N ATOM 964 CA LYS A 67 10.562 7.141 13.820 1.00 0.00 C ATOM 965 C LYS A 67 9.262 7.235 14.614 1.00 0.00 C ATOM 966 O LYS A 67 9.092 6.558 15.628 1.00 0.00 O ATOM 967 CB LYS A 67 11.687 6.616 14.719 1.00 0.00 C ATOM 968 CG LYS A 67 13.067 7.135 14.343 1.00 0.00 C ATOM 969 CD LYS A 67 13.962 6.018 13.833 1.00 0.00 C ATOM 970 CE LYS A 67 15.417 6.456 13.766 1.00 0.00 C ATOM 971 NZ LYS A 67 16.287 5.407 13.165 1.00 0.00 N ATOM 0 H LYS A 67 10.985 9.190 13.956 1.00 0.00 H new ATOM 0 HA LYS A 67 10.418 6.445 12.993 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.474 6.893 15.751 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.695 5.527 14.677 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.971 7.904 13.577 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.529 7.605 15.211 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.872 5.151 14.487 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.629 5.707 12.843 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.494 7.371 13.179 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.772 6.690 14.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.270 5.745 13.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.234 4.541 13.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.965 5.201 12.198 1.00 0.00 H new ATOM 985 N GLN A 68 8.344 8.080 14.144 1.00 0.00 N ATOM 986 CA GLN A 68 7.072 8.281 14.833 1.00 0.00 C ATOM 987 C GLN A 68 5.875 8.168 13.888 1.00 0.00 C ATOM 988 O GLN A 68 5.010 7.313 14.073 1.00 0.00 O ATOM 989 CB GLN A 68 7.059 9.649 15.516 1.00 0.00 C ATOM 990 CG GLN A 68 5.825 9.894 16.368 1.00 0.00 C ATOM 991 CD GLN A 68 6.133 10.661 17.638 1.00 0.00 C ATOM 992 OE1 GLN A 68 6.196 10.086 18.725 1.00 0.00 O ATOM 993 NE2 GLN A 68 6.329 11.968 17.509 1.00 0.00 N ATOM 0 H GLN A 68 8.457 8.633 13.294 1.00 0.00 H new ATOM 0 HA GLN A 68 6.980 7.490 15.577 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.946 9.741 16.142 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.124 10.426 14.755 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.089 10.447 15.784 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.372 8.937 16.627 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.268 12.405 16.589 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.541 12.535 18.330 1.00 0.00 H new ATOM 1002 N MET A 69 5.813 9.056 12.896 1.00 0.00 N ATOM 1003 CA MET A 69 4.688 9.089 11.957 1.00 0.00 C ATOM 1004 C MET A 69 4.520 7.768 11.211 1.00 0.00 C ATOM 1005 O MET A 69 3.538 7.573 10.495 1.00 0.00 O ATOM 1006 CB MET A 69 4.876 10.217 10.942 1.00 0.00 C ATOM 1007 CG MET A 69 5.353 11.524 11.553 1.00 0.00 C ATOM 1008 SD MET A 69 5.478 12.849 10.338 1.00 0.00 S ATOM 1009 CE MET A 69 6.976 12.366 9.487 1.00 0.00 C ATOM 0 H MET A 69 6.527 9.763 12.720 1.00 0.00 H new ATOM 0 HA MET A 69 3.788 9.262 12.547 1.00 0.00 H new ATOM 0 HB2 MET A 69 5.594 9.897 10.187 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.930 10.391 10.428 1.00 0.00 H new ATOM 0 HG2 MET A 69 4.665 11.824 12.344 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.326 11.370 12.019 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.391 13.227 8.963 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.703 11.997 10.211 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.748 11.579 8.768 1.00 0.00 H new ATOM 1019 N LEU A 70 5.487 6.878 11.357 1.00 0.00 N ATOM 1020 CA LEU A 70 5.451 5.588 10.673 1.00 0.00 C ATOM 1021 C LEU A 70 4.369 4.698 11.257 1.00 0.00 C ATOM 1022 O LEU A 70 3.833 3.824 10.577 1.00 0.00 O ATOM 1023 CB LEU A 70 6.805 4.880 10.779 1.00 0.00 C ATOM 1024 CG LEU A 70 7.750 5.441 11.840 1.00 0.00 C ATOM 1025 CD1 LEU A 70 8.834 4.431 12.179 1.00 0.00 C ATOM 1026 CD2 LEU A 70 8.352 6.749 11.360 1.00 0.00 C ATOM 0 H LEU A 70 6.309 7.022 11.943 1.00 0.00 H new ATOM 0 HA LEU A 70 5.228 5.776 9.623 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.630 3.825 10.992 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.301 4.931 9.810 1.00 0.00 H new ATOM 0 HG LEU A 70 7.183 5.637 12.750 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.497 4.849 12.936 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.375 3.519 12.562 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.408 4.199 11.282 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.024 7.142 12.123 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.909 6.577 10.439 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.555 7.469 11.173 1.00 0.00 H new ATOM 1038 N GLY A 71 4.071 4.908 12.530 1.00 0.00 N ATOM 1039 CA GLY A 71 3.058 4.114 13.184 1.00 0.00 C ATOM 1040 C GLY A 71 2.291 4.900 14.226 1.00 0.00 C ATOM 1041 O GLY A 71 1.510 4.329 14.988 1.00 0.00 O ATOM 0 H GLY A 71 4.513 5.613 13.119 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.362 3.731 12.437 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.526 3.250 13.656 1.00 0.00 H new ATOM 1045 N GLU A 72 2.497 6.215 14.253 1.00 0.00 N ATOM 1046 CA GLU A 72 1.815 7.062 15.226 1.00 0.00 C ATOM 1047 C GLU A 72 1.073 8.217 14.558 1.00 0.00 C ATOM 1048 O GLU A 72 0.294 8.917 15.206 1.00 0.00 O ATOM 1049 CB GLU A 72 2.817 7.610 16.245 1.00 0.00 C ATOM 1050 CG GLU A 72 3.652 6.533 16.917 1.00 0.00 C ATOM 1051 CD GLU A 72 3.365 6.413 18.400 1.00 0.00 C ATOM 1052 OE1 GLU A 72 2.307 5.853 18.756 1.00 0.00 O ATOM 1053 OE2 GLU A 72 4.197 6.879 19.207 1.00 0.00 O ATOM 0 H GLU A 72 3.123 6.712 13.620 1.00 0.00 H new ATOM 0 HA GLU A 72 1.077 6.442 15.735 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.482 8.315 15.745 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.277 8.169 17.009 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.459 5.575 16.435 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.709 6.755 16.772 1.00 0.00 H new ATOM 1060 N ARG A 73 1.305 8.407 13.264 1.00 0.00 N ATOM 1061 CA ARG A 73 0.643 9.474 12.523 1.00 0.00 C ATOM 1062 C ARG A 73 -0.037 8.918 11.279 1.00 0.00 C ATOM 1063 O ARG A 73 -0.855 9.591 10.651 1.00 0.00 O ATOM 1064 CB ARG A 73 1.652 10.552 12.128 1.00 0.00 C ATOM 1065 CG ARG A 73 1.075 11.959 12.132 1.00 0.00 C ATOM 1066 CD ARG A 73 0.454 12.315 10.791 1.00 0.00 C ATOM 1067 NE ARG A 73 0.254 13.754 10.642 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.942 14.327 10.538 1.00 0.00 C ATOM 1069 NH1 ARG A 73 -2.041 13.585 10.567 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -1.039 15.641 10.403 1.00 0.00 N ATOM 0 H ARG A 73 1.944 7.838 12.708 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.115 9.919 13.167 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.498 10.514 12.814 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.037 10.330 11.133 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.322 12.041 12.915 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.862 12.675 12.370 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.096 11.954 9.988 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.503 11.804 10.688 1.00 0.00 H new ATOM 0 HE ARG A 73 1.079 14.354 10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.970 12.573 10.669 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.957 14.027 10.487 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.196 16.215 10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.957 16.079 10.323 1.00 0.00 H new ATOM 1084 N LEU A 74 0.294 7.678 10.943 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.267 7.026 9.770 1.00 0.00 C ATOM 1086 C LEU A 74 -1.683 6.537 10.016 1.00 0.00 C ATOM 1087 O LEU A 74 -2.395 6.199 9.074 1.00 0.00 O ATOM 1088 CB LEU A 74 0.593 5.837 9.377 1.00 0.00 C ATOM 1089 CG LEU A 74 1.409 6.033 8.119 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.758 5.363 8.275 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.655 5.500 6.913 1.00 0.00 C ATOM 0 H LEU A 74 0.951 7.103 11.470 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.288 7.766 8.970 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.270 5.608 10.200 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.052 4.968 9.243 1.00 0.00 H new ATOM 0 HG LEU A 74 1.576 7.098 7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.343 5.507 7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.287 5.803 9.120 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.616 4.297 8.451 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.254 5.648 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.459 4.436 7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.290 6.033 6.810 1.00 0.00 H new ATOM 1103 N PHE A 75 -2.064 6.441 11.281 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.384 5.933 11.638 1.00 0.00 C ATOM 1105 C PHE A 75 -4.493 6.580 10.797 1.00 0.00 C ATOM 1106 O PHE A 75 -5.276 5.873 10.163 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.658 6.133 13.133 1.00 0.00 C ATOM 1108 CG PHE A 75 -5.057 5.763 13.540 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.672 4.634 13.017 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.760 6.549 14.438 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -6.964 4.305 13.378 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -7.050 6.219 14.809 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.651 5.093 14.281 1.00 0.00 C ATOM 0 H PHE A 75 -1.482 6.706 12.076 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.388 4.865 11.421 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.951 5.535 13.707 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.477 7.176 13.391 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.135 4.007 12.321 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -5.295 7.431 14.853 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.437 3.432 12.954 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.587 6.840 15.510 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.657 4.829 14.574 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.585 7.927 10.766 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.619 8.621 9.990 1.00 0.00 C ATOM 1125 C PRO A 76 -5.456 8.406 8.488 1.00 0.00 C ATOM 1126 O PRO A 76 -6.326 8.775 7.700 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.417 10.102 10.336 1.00 0.00 C ATOM 1128 CG PRO A 76 -4.565 10.109 11.562 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.714 8.876 11.479 1.00 0.00 C ATOM 0 HA PRO A 76 -6.615 8.250 10.233 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.932 10.634 9.518 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.371 10.597 10.517 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.948 11.007 11.604 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.178 10.101 12.463 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.787 9.060 10.937 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.438 8.508 12.467 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.333 7.809 8.101 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.043 7.565 6.693 1.00 0.00 C ATOM 1139 C LEU A 77 -4.432 6.150 6.271 1.00 0.00 C ATOM 1140 O LEU A 77 -4.927 5.947 5.163 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.555 7.800 6.408 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.111 9.267 6.338 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -3.196 10.150 5.734 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -1.724 9.759 7.718 1.00 0.00 C ATOM 0 H LEU A 77 -3.609 7.485 8.743 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.641 8.266 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.973 7.301 7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.305 7.319 5.462 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.241 9.328 5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.848 11.182 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.422 9.809 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.096 10.091 6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.410 10.801 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.580 9.676 8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.903 9.154 8.103 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.195 5.168 7.142 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.527 3.782 6.818 1.00 0.00 C ATOM 1158 C ILE A 78 -6.015 3.630 6.553 1.00 0.00 C ATOM 1159 O ILE A 78 -6.420 2.910 5.644 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.145 2.793 7.928 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.853 3.219 8.630 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -4.020 1.395 7.339 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.620 3.096 7.767 1.00 0.00 C ATOM 0 H ILE A 78 -3.780 5.304 8.064 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.945 3.546 5.927 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.930 2.788 8.684 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.953 4.254 8.958 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.720 2.612 9.525 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.749 0.691 8.126 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.973 1.099 6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.249 1.392 6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.746 3.416 8.334 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.493 2.058 7.460 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.730 3.725 6.884 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.824 4.294 7.374 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.276 4.242 7.235 1.00 0.00 C ATOM 1177 C GLN A 79 -8.687 4.493 5.786 1.00 0.00 C ATOM 1178 O GLN A 79 -9.789 4.142 5.365 1.00 0.00 O ATOM 1179 CB GLN A 79 -8.927 5.284 8.146 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.407 4.720 9.473 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.585 5.789 10.531 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -10.670 5.951 11.091 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -8.518 6.528 10.811 1.00 0.00 N ATOM 0 H GLN A 79 -6.497 4.876 8.145 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.615 3.248 7.526 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.211 6.083 8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.773 5.732 7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.354 4.202 9.322 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.692 3.978 9.828 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.638 6.359 10.323 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.578 7.264 11.514 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.781 5.107 5.034 1.00 0.00 N ATOM 1193 CA ALA A 80 -8.005 5.395 3.623 1.00 0.00 C ATOM 1194 C ALA A 80 -7.690 4.175 2.763 1.00 0.00 C ATOM 1195 O ALA A 80 -8.426 3.851 1.831 1.00 0.00 O ATOM 1196 CB ALA A 80 -7.147 6.573 3.188 1.00 0.00 C ATOM 0 H ALA A 80 -6.875 5.418 5.383 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.057 5.648 3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.322 6.780 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.409 7.451 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.095 6.333 3.341 1.00 0.00 H new ATOM 1202 N MET A 81 -6.576 3.518 3.075 1.00 0.00 N ATOM 1203 CA MET A 81 -6.154 2.327 2.343 1.00 0.00 C ATOM 1204 C MET A 81 -7.115 1.177 2.598 1.00 0.00 C ATOM 1205 O MET A 81 -7.438 0.401 1.698 1.00 0.00 O ATOM 1206 CB MET A 81 -4.746 1.913 2.783 1.00 0.00 C ATOM 1207 CG MET A 81 -3.826 3.089 3.057 1.00 0.00 C ATOM 1208 SD MET A 81 -2.253 2.954 2.190 1.00 0.00 S ATOM 1209 CE MET A 81 -1.265 2.140 3.439 1.00 0.00 C ATOM 0 H MET A 81 -5.948 3.791 3.831 1.00 0.00 H new ATOM 0 HA MET A 81 -6.152 2.562 1.279 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.820 1.303 3.683 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.302 1.287 2.009 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.323 4.012 2.758 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.641 3.159 4.129 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.263 2.568 3.446 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.727 2.280 4.416 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.203 1.075 3.217 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.533 1.060 3.850 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.409 -0.014 4.285 1.00 0.00 C ATOM 1221 C HIS A 82 -9.675 0.551 4.916 1.00 0.00 C ATOM 1222 O HIS A 82 -9.626 1.585 5.578 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.659 -0.881 5.299 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.236 -1.129 4.923 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -5.247 -1.139 5.864 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.695 -1.380 3.709 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -4.128 -1.361 5.207 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -4.352 -1.536 3.901 1.00 0.00 N ATOM 0 H HIS A 82 -7.273 1.709 4.593 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.699 -0.616 3.424 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.691 -0.397 6.275 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.173 -1.837 5.400 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.223 -1.445 2.769 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.151 -1.397 5.666 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.655 -1.745 3.186 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.833 -0.109 4.712 1.00 0.00 N ATOM 1237 CA PRO A 83 -12.109 0.343 5.281 1.00 0.00 C ATOM 1238 C PRO A 83 -12.030 0.491 6.796 1.00 0.00 C ATOM 1239 O PRO A 83 -12.430 -0.408 7.537 1.00 0.00 O ATOM 1240 CB PRO A 83 -13.092 -0.767 4.898 1.00 0.00 C ATOM 1241 CG PRO A 83 -12.470 -1.443 3.725 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.986 -1.352 3.935 1.00 0.00 C ATOM 0 HA PRO A 83 -12.402 1.324 4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.241 -1.464 5.722 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -14.070 -0.358 4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.792 -2.482 3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.763 -0.958 2.794 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.602 -2.216 4.477 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.447 -1.305 2.989 1.00 0.00 H new ATOM 1250 N THR A 84 -11.488 1.627 7.242 1.00 0.00 N ATOM 1251 CA THR A 84 -11.300 1.909 8.665 1.00 0.00 C ATOM 1252 C THR A 84 -10.800 0.672 9.415 1.00 0.00 C ATOM 1253 O THR A 84 -11.075 0.496 10.602 1.00 0.00 O ATOM 1254 CB THR A 84 -12.599 2.432 9.293 1.00 0.00 C ATOM 1255 OG1 THR A 84 -12.347 2.978 10.576 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.678 1.381 9.446 1.00 0.00 C ATOM 0 H THR A 84 -11.168 2.375 6.627 1.00 0.00 H new ATOM 0 HA THR A 84 -10.539 2.684 8.751 1.00 0.00 H new ATOM 0 HB THR A 84 -12.962 3.189 8.597 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.785 2.361 11.089 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.563 1.831 9.897 1.00 0.00 H new ATOM 0 HG22 THR A 84 -13.935 0.978 8.466 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.314 0.576 10.085 1.00 0.00 H new ATOM 1264 N LEU A 85 -10.050 -0.172 8.709 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.511 -1.395 9.294 1.00 0.00 C ATOM 1266 C LEU A 85 -8.258 -1.106 10.109 1.00 0.00 C ATOM 1267 O LEU A 85 -7.650 -2.016 10.674 1.00 0.00 O ATOM 1268 CB LEU A 85 -9.192 -2.408 8.195 1.00 0.00 C ATOM 1269 CG LEU A 85 -10.024 -3.693 8.232 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -11.489 -3.390 7.959 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -9.488 -4.702 7.228 1.00 0.00 C ATOM 0 H LEU A 85 -9.802 -0.030 7.730 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.266 -1.811 9.961 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.337 -1.928 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.137 -2.675 8.264 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.946 -4.126 9.229 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.064 -4.316 7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.866 -2.704 8.717 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.589 -2.933 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.091 -5.609 7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.536 -4.278 6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.453 -4.943 7.471 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.876 0.165 10.162 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.699 0.583 10.917 1.00 0.00 C ATOM 1285 C ALA A 86 -6.921 0.380 12.417 1.00 0.00 C ATOM 1286 O ALA A 86 -7.484 -0.630 12.837 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.367 2.036 10.605 1.00 0.00 C ATOM 0 H ALA A 86 -8.365 0.926 9.690 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.852 -0.035 10.619 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.487 2.338 11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.165 2.142 9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.211 2.669 10.879 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.479 1.343 13.222 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.631 1.229 14.660 1.00 0.00 C ATOM 1295 C GLY A 87 -5.573 0.336 15.269 1.00 0.00 C ATOM 1296 O GLY A 87 -5.446 0.251 16.492 1.00 0.00 O ATOM 0 H GLY A 87 -6.020 2.197 12.904 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.574 2.220 15.111 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.619 0.831 14.890 1.00 0.00 H new ATOM 1300 N LYS A 88 -4.811 -0.325 14.407 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.747 -1.217 14.850 1.00 0.00 C ATOM 1302 C LYS A 88 -2.744 -1.490 13.732 1.00 0.00 C ATOM 1303 O LYS A 88 -1.592 -1.817 14.002 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.330 -2.540 15.351 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.276 -3.596 15.648 1.00 0.00 C ATOM 1306 CD LYS A 88 -2.457 -3.239 16.879 1.00 0.00 C ATOM 1307 CE LYS A 88 -0.965 -3.287 16.589 1.00 0.00 C ATOM 1308 NZ LYS A 88 -0.162 -3.468 17.830 1.00 0.00 N ATOM 0 H LYS A 88 -4.910 -0.260 13.394 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.224 -0.720 15.667 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.910 -2.353 16.255 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -5.022 -2.929 14.604 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.760 -4.561 15.799 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.614 -3.702 14.788 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.730 -2.241 17.222 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.694 -3.930 17.688 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.756 -4.105 15.899 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.662 -2.365 16.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.698 -2.886 17.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.725 -3.175 18.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.103 -4.469 17.929 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.184 -1.375 12.478 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.317 -1.653 11.344 1.00 0.00 C ATOM 1324 C ILE A 89 -0.976 -0.934 11.470 1.00 0.00 C ATOM 1325 O ILE A 89 0.020 -1.537 11.862 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.980 -1.267 10.011 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.325 -1.988 9.869 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -2.054 -1.611 8.856 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.205 -1.439 8.767 1.00 0.00 C ATOM 0 H ILE A 89 -4.132 -1.092 12.228 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.142 -2.729 11.349 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.165 -0.193 9.995 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.140 -3.045 9.680 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.862 -1.923 10.815 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.529 -1.335 7.914 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.118 -1.063 8.964 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.850 -2.682 8.860 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.137 -2.002 8.731 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.423 -0.389 8.964 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.690 -1.529 7.811 1.00 0.00 H new ATOM 1341 N THR A 90 -0.954 0.351 11.133 1.00 0.00 N ATOM 1342 CA THR A 90 0.269 1.146 11.209 1.00 0.00 C ATOM 1343 C THR A 90 0.853 1.114 12.617 1.00 0.00 C ATOM 1344 O THR A 90 2.071 1.051 12.789 1.00 0.00 O ATOM 1345 CB THR A 90 -0.029 2.581 10.767 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.769 2.926 9.649 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.191 3.632 11.835 1.00 0.00 C ATOM 0 H THR A 90 -1.770 0.866 10.804 1.00 0.00 H new ATOM 0 HA THR A 90 1.015 0.718 10.539 1.00 0.00 H new ATOM 0 HB THR A 90 -1.092 2.581 10.526 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.706 2.997 9.926 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.045 4.616 11.431 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.456 3.425 12.688 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.232 3.612 12.156 1.00 0.00 H new ATOM 1355 N GLY A 91 -0.017 1.149 13.622 1.00 0.00 N ATOM 1356 CA GLY A 91 0.448 1.060 14.992 1.00 0.00 C ATOM 1357 C GLY A 91 1.252 -0.203 15.199 1.00 0.00 C ATOM 1358 O GLY A 91 2.171 -0.250 16.018 1.00 0.00 O ATOM 0 H GLY A 91 -1.027 1.237 13.513 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.059 1.930 15.232 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.403 1.071 15.672 1.00 0.00 H new ATOM 1362 N MET A 92 0.920 -1.220 14.411 1.00 0.00 N ATOM 1363 CA MET A 92 1.635 -2.487 14.446 1.00 0.00 C ATOM 1364 C MET A 92 2.950 -2.355 13.708 1.00 0.00 C ATOM 1365 O MET A 92 3.949 -2.964 14.076 1.00 0.00 O ATOM 1366 CB MET A 92 0.811 -3.593 13.788 1.00 0.00 C ATOM 1367 CG MET A 92 1.002 -4.951 14.440 1.00 0.00 C ATOM 1368 SD MET A 92 -0.489 -5.961 14.409 1.00 0.00 S ATOM 1369 CE MET A 92 -0.813 -6.023 12.649 1.00 0.00 C ATOM 0 H MET A 92 0.155 -1.189 13.737 1.00 0.00 H new ATOM 0 HA MET A 92 1.814 -2.746 15.489 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.244 -3.323 13.828 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.083 -3.662 12.735 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.805 -5.483 13.931 1.00 0.00 H new ATOM 0 HG3 MET A 92 1.318 -4.811 15.474 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.310 -6.961 12.403 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.455 -5.188 12.368 1.00 0.00 H new ATOM 0 HE3 MET A 92 0.128 -5.957 12.103 1.00 0.00 H new ATOM 1379 N LEU A 93 2.923 -1.545 12.661 1.00 0.00 N ATOM 1380 CA LEU A 93 4.084 -1.326 11.816 1.00 0.00 C ATOM 1381 C LEU A 93 5.263 -0.780 12.610 1.00 0.00 C ATOM 1382 O LEU A 93 6.377 -0.675 12.095 1.00 0.00 O ATOM 1383 CB LEU A 93 3.711 -0.375 10.692 1.00 0.00 C ATOM 1384 CG LEU A 93 3.138 -1.052 9.443 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.202 -1.908 8.774 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.918 -1.891 9.799 1.00 0.00 C ATOM 0 H LEU A 93 2.096 -1.022 12.374 1.00 0.00 H new ATOM 0 HA LEU A 93 4.395 -2.284 11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.980 0.341 11.068 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.596 0.193 10.407 1.00 0.00 H new ATOM 0 HG LEU A 93 2.824 -0.279 8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.782 -2.384 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.045 -1.280 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.543 -2.674 9.470 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.526 -2.363 8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.202 -2.660 10.518 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.151 -1.251 10.236 1.00 0.00 H new ATOM 1398 N LEU A 94 5.016 -0.439 13.867 1.00 0.00 N ATOM 1399 CA LEU A 94 6.070 0.024 14.749 1.00 0.00 C ATOM 1400 C LEU A 94 6.371 -1.061 15.771 1.00 0.00 C ATOM 1401 O LEU A 94 6.786 -0.783 16.896 1.00 0.00 O ATOM 1402 CB LEU A 94 5.652 1.319 15.444 1.00 0.00 C ATOM 1403 CG LEU A 94 6.237 2.600 14.836 1.00 0.00 C ATOM 1404 CD1 LEU A 94 6.002 2.638 13.332 1.00 0.00 C ATOM 1405 CD2 LEU A 94 5.637 3.827 15.506 1.00 0.00 C ATOM 0 H LEU A 94 4.092 -0.476 14.297 1.00 0.00 H new ATOM 0 HA LEU A 94 6.969 0.231 14.168 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.564 1.389 15.424 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.949 1.264 16.491 1.00 0.00 H new ATOM 0 HG LEU A 94 7.313 2.604 15.011 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.425 3.555 12.921 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.482 1.777 12.867 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.931 2.610 13.130 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.062 4.728 15.063 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.556 3.828 15.363 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.862 3.806 16.572 1.00 0.00 H new ATOM 1417 N GLU A 95 6.122 -2.305 15.365 1.00 0.00 N ATOM 1418 CA GLU A 95 6.328 -3.458 16.233 1.00 0.00 C ATOM 1419 C GLU A 95 6.168 -4.773 15.467 1.00 0.00 C ATOM 1420 O GLU A 95 6.276 -5.851 16.053 1.00 0.00 O ATOM 1421 CB GLU A 95 5.341 -3.418 17.405 1.00 0.00 C ATOM 1422 CG GLU A 95 3.931 -3.854 17.035 1.00 0.00 C ATOM 1423 CD GLU A 95 3.059 -4.101 18.251 1.00 0.00 C ATOM 1424 OE1 GLU A 95 2.801 -3.137 19.003 1.00 0.00 O ATOM 1425 OE2 GLU A 95 2.635 -5.259 18.451 1.00 0.00 O ATOM 0 H GLU A 95 5.775 -2.538 14.435 1.00 0.00 H new ATOM 0 HA GLU A 95 7.348 -3.409 16.613 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.713 -4.061 18.203 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.305 -2.404 17.803 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.470 -3.088 16.411 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.981 -4.764 16.437 1.00 0.00 H new ATOM 1432 N ILE A 96 5.941 -4.683 14.155 1.00 0.00 N ATOM 1433 CA ILE A 96 5.762 -5.883 13.328 1.00 0.00 C ATOM 1434 C ILE A 96 7.018 -6.755 13.311 1.00 0.00 C ATOM 1435 O ILE A 96 7.825 -6.733 14.240 1.00 0.00 O ATOM 1436 CB ILE A 96 5.418 -5.546 11.856 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.575 -4.808 11.174 1.00 0.00 C ATOM 1438 CG2 ILE A 96 4.130 -4.752 11.747 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.933 -3.490 11.813 1.00 0.00 C ATOM 0 H ILE A 96 5.877 -3.802 13.644 1.00 0.00 H new ATOM 0 HA ILE A 96 4.931 -6.418 13.787 1.00 0.00 H new ATOM 0 HB ILE A 96 5.264 -6.491 11.336 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.455 -5.452 11.179 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.314 -4.633 10.130 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.924 -4.536 10.699 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.308 -5.332 12.166 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.231 -3.817 12.297 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.760 -3.035 11.269 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.070 -2.825 11.784 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.228 -3.656 12.849 1.00 0.00 H new ATOM 1451 N ASP A 97 7.181 -7.500 12.217 1.00 0.00 N ATOM 1452 CA ASP A 97 8.335 -8.364 12.017 1.00 0.00 C ATOM 1453 C ASP A 97 9.638 -7.567 12.043 1.00 0.00 C ATOM 1454 O ASP A 97 10.723 -8.135 11.913 1.00 0.00 O ATOM 1455 CB ASP A 97 8.195 -9.087 10.678 1.00 0.00 C ATOM 1456 CG ASP A 97 8.862 -10.448 10.677 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.408 -11.332 11.433 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.838 -10.631 9.919 1.00 0.00 O ATOM 0 H ASP A 97 6.513 -7.518 11.446 1.00 0.00 H new ATOM 0 HA ASP A 97 8.371 -9.088 12.831 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.137 -9.205 10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.631 -8.472 9.890 1.00 0.00 H new ATOM 1463 N ASN A 98 9.508 -6.247 12.187 1.00 0.00 N ATOM 1464 CA ASN A 98 10.649 -5.334 12.235 1.00 0.00 C ATOM 1465 C ASN A 98 11.205 -5.065 10.843 1.00 0.00 C ATOM 1466 O ASN A 98 11.731 -3.985 10.575 1.00 0.00 O ATOM 1467 CB ASN A 98 11.753 -5.869 13.155 1.00 0.00 C ATOM 1468 CG ASN A 98 11.675 -5.284 14.551 1.00 0.00 C ATOM 1469 OD1 ASN A 98 11.515 -4.077 14.724 1.00 0.00 O ATOM 1470 ND2 ASN A 98 11.788 -6.143 15.558 1.00 0.00 N ATOM 0 H ASN A 98 8.605 -5.781 12.274 1.00 0.00 H new ATOM 0 HA ASN A 98 10.288 -4.391 12.646 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.678 -6.955 13.214 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.726 -5.640 12.722 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.743 -5.809 16.521 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.920 -7.137 15.368 1.00 0.00 H new ATOM 1477 N SER A 99 11.076 -6.043 9.955 1.00 0.00 N ATOM 1478 CA SER A 99 11.532 -5.883 8.581 1.00 0.00 C ATOM 1479 C SER A 99 10.590 -4.951 7.829 1.00 0.00 C ATOM 1480 O SER A 99 11.007 -4.206 6.944 1.00 0.00 O ATOM 1481 CB SER A 99 11.609 -7.235 7.873 1.00 0.00 C ATOM 1482 OG SER A 99 12.088 -8.243 8.746 1.00 0.00 O ATOM 0 H SER A 99 10.661 -6.952 10.161 1.00 0.00 H new ATOM 0 HA SER A 99 12.532 -5.449 8.596 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.622 -7.511 7.501 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.266 -7.158 7.007 1.00 0.00 H new ATOM 0 HG SER A 99 12.126 -9.098 8.269 1.00 0.00 H new ATOM 1488 N GLU A 100 9.318 -4.991 8.211 1.00 0.00 N ATOM 1489 CA GLU A 100 8.310 -4.121 7.622 1.00 0.00 C ATOM 1490 C GLU A 100 8.450 -2.718 8.185 1.00 0.00 C ATOM 1491 O GLU A 100 8.052 -1.743 7.554 1.00 0.00 O ATOM 1492 CB GLU A 100 6.912 -4.675 7.884 1.00 0.00 C ATOM 1493 CG GLU A 100 6.868 -6.193 7.911 1.00 0.00 C ATOM 1494 CD GLU A 100 5.818 -6.765 6.977 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.764 -6.120 6.803 1.00 0.00 O ATOM 1496 OE2 GLU A 100 6.052 -7.859 6.422 1.00 0.00 O ATOM 0 H GLU A 100 8.961 -5.620 8.930 1.00 0.00 H new ATOM 0 HA GLU A 100 8.460 -4.080 6.543 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.548 -4.290 8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.233 -4.311 7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.847 -6.586 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.665 -6.529 8.928 1.00 0.00 H new ATOM 1503 N LEU A 101 9.050 -2.628 9.370 1.00 0.00 N ATOM 1504 CA LEU A 101 9.307 -1.342 10.002 1.00 0.00 C ATOM 1505 C LEU A 101 10.478 -0.648 9.317 1.00 0.00 C ATOM 1506 O LEU A 101 10.609 0.571 9.374 1.00 0.00 O ATOM 1507 CB LEU A 101 9.610 -1.532 11.493 1.00 0.00 C ATOM 1508 CG LEU A 101 10.218 -0.316 12.198 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.243 0.251 13.218 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.533 -0.690 12.864 1.00 0.00 C ATOM 0 H LEU A 101 9.367 -3.433 9.910 1.00 0.00 H new ATOM 0 HA LEU A 101 8.417 -0.720 9.902 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.685 -1.802 12.003 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.293 -2.374 11.604 1.00 0.00 H new ATOM 0 HG LEU A 101 10.418 0.452 11.451 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.692 1.114 13.709 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.326 0.556 12.714 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.012 -0.511 13.963 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.951 0.186 13.360 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.358 -1.475 13.600 1.00 0.00 H new ATOM 0 HD23 LEU A 101 12.233 -1.049 12.110 1.00 0.00 H new ATOM 1522 N LEU A 102 11.331 -1.442 8.677 1.00 0.00 N ATOM 1523 CA LEU A 102 12.505 -0.917 7.989 1.00 0.00 C ATOM 1524 C LEU A 102 12.197 -0.601 6.533 1.00 0.00 C ATOM 1525 O LEU A 102 12.591 0.445 6.019 1.00 0.00 O ATOM 1526 CB LEU A 102 13.650 -1.927 8.057 1.00 0.00 C ATOM 1527 CG LEU A 102 14.730 -1.617 9.097 1.00 0.00 C ATOM 1528 CD1 LEU A 102 14.213 -1.890 10.502 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.984 -2.432 8.820 1.00 0.00 C ATOM 0 H LEU A 102 11.230 -2.455 8.621 1.00 0.00 H new ATOM 0 HA LEU A 102 12.798 0.006 8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.233 -2.911 8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.120 -1.987 7.075 1.00 0.00 H new ATOM 0 HG LEU A 102 14.984 -0.559 9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.994 -1.664 11.228 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.343 -1.263 10.698 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.930 -2.939 10.588 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.742 -2.200 9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.744 -3.494 8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.366 -2.187 7.829 1.00 0.00 H new ATOM 1541 N HIS A 103 11.519 -1.526 5.865 1.00 0.00 N ATOM 1542 CA HIS A 103 11.180 -1.354 4.463 1.00 0.00 C ATOM 1543 C HIS A 103 10.213 -0.191 4.272 1.00 0.00 C ATOM 1544 O HIS A 103 10.338 0.583 3.322 1.00 0.00 O ATOM 1545 CB HIS A 103 10.569 -2.647 3.920 1.00 0.00 C ATOM 1546 CG HIS A 103 11.108 -3.066 2.586 1.00 0.00 C ATOM 1547 ND1 HIS A 103 12.206 -2.628 1.921 1.00 0.00 N flip ATOM 1548 CD2 HIS A 103 10.486 -4.036 1.836 1.00 0.00 C flip ATOM 1549 CE1 HIS A 103 12.259 -3.332 0.745 1.00 0.00 C flip ATOM 1550 NE2 HIS A 103 11.209 -4.165 0.738 1.00 0.00 N flip ATOM 0 H HIS A 103 11.194 -2.402 6.274 1.00 0.00 H new ATOM 0 HA HIS A 103 12.092 -1.125 3.911 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.744 -3.448 4.638 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.489 -2.520 3.840 1.00 0.00 H new ATOM 0 HD2 HIS A 103 9.590 -4.581 2.092 1.00 0.00 H new ATOM 0 HE1 HIS A 103 13.006 -3.234 -0.029 1.00 0.00 H new ATOM 0 HE2 HIS A 103 10.996 -4.815 -0.018 1.00 0.00 H new ATOM 1558 N MET A 104 9.260 -0.067 5.189 1.00 0.00 N ATOM 1559 CA MET A 104 8.261 0.995 5.125 1.00 0.00 C ATOM 1560 C MET A 104 8.910 2.377 5.167 1.00 0.00 C ATOM 1561 O MET A 104 8.394 3.325 4.579 1.00 0.00 O ATOM 1562 CB MET A 104 7.284 0.856 6.287 1.00 0.00 C ATOM 1563 CG MET A 104 7.924 1.141 7.629 1.00 0.00 C ATOM 1564 SD MET A 104 6.900 2.182 8.682 1.00 0.00 S ATOM 1565 CE MET A 104 5.310 1.398 8.458 1.00 0.00 C ATOM 0 H MET A 104 9.158 -0.691 5.989 1.00 0.00 H new ATOM 0 HA MET A 104 7.729 0.897 4.179 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.448 1.539 6.136 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.874 -0.154 6.292 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.122 0.199 8.140 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.887 1.627 7.472 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.533 2.160 8.403 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.317 0.819 7.534 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.109 0.735 9.300 1.00 0.00 H new ATOM 1575 N LEU A 105 10.022 2.494 5.890 1.00 0.00 N ATOM 1576 CA LEU A 105 10.722 3.769 6.009 1.00 0.00 C ATOM 1577 C LEU A 105 11.678 3.974 4.847 1.00 0.00 C ATOM 1578 O LEU A 105 12.211 5.067 4.656 1.00 0.00 O ATOM 1579 CB LEU A 105 11.513 3.839 7.319 1.00 0.00 C ATOM 1580 CG LEU A 105 10.779 3.346 8.563 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.724 3.302 9.755 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.586 4.234 8.863 1.00 0.00 C ATOM 0 H LEU A 105 10.455 1.724 6.400 1.00 0.00 H new ATOM 0 HA LEU A 105 9.967 4.555 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.426 3.254 7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 105 11.816 4.873 7.484 1.00 0.00 H new ATOM 0 HG LEU A 105 10.417 2.336 8.372 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.185 2.948 10.634 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.550 2.625 9.539 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.115 4.301 9.947 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.074 3.868 9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.927 5.255 9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.899 4.218 8.017 1.00 0.00 H new ATOM 1594 N GLU A 106 11.916 2.912 4.088 1.00 0.00 N ATOM 1595 CA GLU A 106 12.867 2.976 2.992 1.00 0.00 C ATOM 1596 C GLU A 106 12.181 3.011 1.626 1.00 0.00 C ATOM 1597 O GLU A 106 12.836 3.229 0.608 1.00 0.00 O ATOM 1598 CB GLU A 106 13.834 1.785 3.075 1.00 0.00 C ATOM 1599 CG GLU A 106 13.455 0.611 2.184 1.00 0.00 C ATOM 1600 CD GLU A 106 14.318 0.518 0.942 1.00 0.00 C ATOM 1601 OE1 GLU A 106 15.532 0.257 1.080 1.00 0.00 O ATOM 1602 OE2 GLU A 106 13.780 0.704 -0.170 1.00 0.00 O ATOM 0 H GLU A 106 11.467 2.005 4.211 1.00 0.00 H new ATOM 0 HA GLU A 106 13.422 3.909 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 106 14.834 2.124 2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.882 1.442 4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 106 13.543 -0.315 2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.410 0.706 1.889 1.00 0.00 H new ATOM 1609 N SER A 107 10.867 2.803 1.599 1.00 0.00 N ATOM 1610 CA SER A 107 10.137 2.799 0.335 1.00 0.00 C ATOM 1611 C SER A 107 8.755 3.435 0.474 1.00 0.00 C ATOM 1612 O SER A 107 7.999 3.104 1.389 1.00 0.00 O ATOM 1613 CB SER A 107 9.996 1.368 -0.180 1.00 0.00 C ATOM 1614 OG SER A 107 10.062 1.322 -1.595 1.00 0.00 O ATOM 0 H SER A 107 10.293 2.637 2.426 1.00 0.00 H new ATOM 0 HA SER A 107 10.708 3.394 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.785 0.747 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.047 0.950 0.156 1.00 0.00 H new ATOM 0 HG SER A 107 9.971 0.394 -1.897 1.00 0.00 H new ATOM 1620 N PRO A 108 8.392 4.344 -0.454 1.00 0.00 N ATOM 1621 CA PRO A 108 7.088 5.017 -0.443 1.00 0.00 C ATOM 1622 C PRO A 108 5.951 4.061 -0.790 1.00 0.00 C ATOM 1623 O PRO A 108 4.788 4.460 -0.867 1.00 0.00 O ATOM 1624 CB PRO A 108 7.217 6.101 -1.525 1.00 0.00 C ATOM 1625 CG PRO A 108 8.671 6.164 -1.862 1.00 0.00 C ATOM 1626 CD PRO A 108 9.220 4.796 -1.582 1.00 0.00 C ATOM 0 HA PRO A 108 6.849 5.416 0.543 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.622 5.850 -2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.857 7.063 -1.160 1.00 0.00 H new ATOM 0 HG2 PRO A 108 8.818 6.437 -2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.178 6.919 -1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.125 4.137 -2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.278 4.829 -1.321 1.00 0.00 H new ATOM 1634 N GLU A 109 6.301 2.799 -1.008 1.00 0.00 N ATOM 1635 CA GLU A 109 5.323 1.771 -1.342 1.00 0.00 C ATOM 1636 C GLU A 109 5.349 0.663 -0.304 1.00 0.00 C ATOM 1637 O GLU A 109 4.351 -0.020 -0.088 1.00 0.00 O ATOM 1638 CB GLU A 109 5.621 1.202 -2.734 1.00 0.00 C ATOM 1639 CG GLU A 109 5.372 -0.294 -2.867 1.00 0.00 C ATOM 1640 CD GLU A 109 5.420 -0.770 -4.306 1.00 0.00 C ATOM 1641 OE1 GLU A 109 6.182 -0.180 -5.101 1.00 0.00 O ATOM 1642 OE2 GLU A 109 4.694 -1.730 -4.638 1.00 0.00 O ATOM 0 H GLU A 109 7.262 2.461 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 109 4.328 2.217 -1.347 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.008 1.727 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 109 6.662 1.409 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.118 -0.835 -2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.398 -0.535 -2.441 1.00 0.00 H new ATOM 1649 N SER A 110 6.498 0.494 0.339 1.00 0.00 N ATOM 1650 CA SER A 110 6.649 -0.536 1.350 1.00 0.00 C ATOM 1651 C SER A 110 5.739 -0.274 2.526 1.00 0.00 C ATOM 1652 O SER A 110 5.074 -1.175 3.016 1.00 0.00 O ATOM 1653 CB SER A 110 8.094 -0.614 1.833 1.00 0.00 C ATOM 1654 OG SER A 110 8.722 -1.795 1.369 1.00 0.00 O ATOM 0 H SER A 110 7.334 1.056 0.177 1.00 0.00 H new ATOM 0 HA SER A 110 6.374 -1.487 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.646 0.258 1.481 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.119 -0.589 2.922 1.00 0.00 H new ATOM 0 HG SER A 110 9.497 -1.558 0.818 1.00 0.00 H new ATOM 1660 N LEU A 111 5.709 0.963 2.974 1.00 0.00 N ATOM 1661 CA LEU A 111 4.867 1.325 4.092 1.00 0.00 C ATOM 1662 C LEU A 111 3.411 0.986 3.812 1.00 0.00 C ATOM 1663 O LEU A 111 2.631 0.749 4.730 1.00 0.00 O ATOM 1664 CB LEU A 111 5.004 2.808 4.390 1.00 0.00 C ATOM 1665 CG LEU A 111 4.286 3.254 5.652 1.00 0.00 C ATOM 1666 CD1 LEU A 111 5.178 4.175 6.457 1.00 0.00 C ATOM 1667 CD2 LEU A 111 2.969 3.924 5.305 1.00 0.00 C ATOM 0 H LEU A 111 6.255 1.731 2.583 1.00 0.00 H new ATOM 0 HA LEU A 111 5.192 0.751 4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.062 3.054 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.616 3.375 3.544 1.00 0.00 H new ATOM 0 HG LEU A 111 4.061 2.379 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.655 4.490 7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.092 3.648 6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.430 5.051 5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.468 4.237 6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.158 4.796 4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.334 3.221 4.766 1.00 0.00 H new ATOM 1679 N ARG A 112 3.055 0.957 2.534 1.00 0.00 N ATOM 1680 CA ARG A 112 1.690 0.655 2.129 1.00 0.00 C ATOM 1681 C ARG A 112 1.483 -0.850 1.957 1.00 0.00 C ATOM 1682 O ARG A 112 0.481 -1.402 2.411 1.00 0.00 O ATOM 1683 CB ARG A 112 1.355 1.388 0.826 1.00 0.00 C ATOM 1684 CG ARG A 112 0.588 0.538 -0.170 1.00 0.00 C ATOM 1685 CD ARG A 112 0.110 1.358 -1.357 1.00 0.00 C ATOM 1686 NE ARG A 112 -0.530 0.528 -2.374 1.00 0.00 N ATOM 1687 CZ ARG A 112 -1.584 0.913 -3.087 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -2.117 2.112 -2.897 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -2.107 0.097 -3.992 1.00 0.00 N ATOM 0 H ARG A 112 3.694 1.139 1.760 1.00 0.00 H new ATOM 0 HA ARG A 112 1.019 0.998 2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.769 2.277 1.059 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.281 1.729 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.224 -0.274 -0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.269 0.081 0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.593 2.117 -1.014 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.956 1.884 -1.799 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.146 -0.401 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.718 2.743 -2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.926 2.403 -3.446 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -1.701 -0.827 -4.141 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.916 0.393 -4.539 1.00 0.00 H new ATOM 1703 N SER A 113 2.415 -1.500 1.269 1.00 0.00 N ATOM 1704 CA SER A 113 2.325 -2.935 1.025 1.00 0.00 C ATOM 1705 C SER A 113 2.527 -3.714 2.316 1.00 0.00 C ATOM 1706 O SER A 113 1.949 -4.784 2.505 1.00 0.00 O ATOM 1707 CB SER A 113 3.366 -3.363 -0.013 1.00 0.00 C ATOM 1708 OG SER A 113 3.244 -4.741 -0.320 1.00 0.00 O ATOM 0 H SER A 113 3.242 -1.056 0.870 1.00 0.00 H new ATOM 0 HA SER A 113 1.329 -3.154 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.243 -2.773 -0.921 1.00 0.00 H new ATOM 0 HB3 SER A 113 4.367 -3.159 0.366 1.00 0.00 H new ATOM 0 HG SER A 113 3.919 -4.989 -0.986 1.00 0.00 H new ATOM 1714 N LYS A 114 3.368 -3.180 3.192 1.00 0.00 N ATOM 1715 CA LYS A 114 3.630 -3.805 4.479 1.00 0.00 C ATOM 1716 C LYS A 114 2.497 -3.507 5.447 1.00 0.00 C ATOM 1717 O LYS A 114 2.224 -4.293 6.353 1.00 0.00 O ATOM 1718 CB LYS A 114 4.965 -3.329 5.057 1.00 0.00 C ATOM 1719 CG LYS A 114 6.154 -3.620 4.156 1.00 0.00 C ATOM 1720 CD LYS A 114 6.386 -5.116 3.996 1.00 0.00 C ATOM 1721 CE LYS A 114 6.923 -5.453 2.614 1.00 0.00 C ATOM 1722 NZ LYS A 114 6.037 -6.406 1.889 1.00 0.00 N ATOM 0 H LYS A 114 3.881 -2.313 3.033 1.00 0.00 H new ATOM 0 HA LYS A 114 3.692 -4.883 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.911 -2.256 5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 114 5.125 -3.808 6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.987 -3.171 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 114 7.048 -3.155 4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 114 7.090 -5.459 4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.451 -5.650 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 114 7.025 -4.537 2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.920 -5.884 2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.439 -6.609 0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.960 -7.290 2.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.093 -5.985 1.777 1.00 0.00 H new ATOM 1736 N VAL A 115 1.829 -2.372 5.245 1.00 0.00 N ATOM 1737 CA VAL A 115 0.687 -2.022 6.082 1.00 0.00 C ATOM 1738 C VAL A 115 -0.494 -2.922 5.721 1.00 0.00 C ATOM 1739 O VAL A 115 -0.988 -3.667 6.565 1.00 0.00 O ATOM 1740 CB VAL A 115 0.303 -0.523 5.968 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.208 -0.329 5.958 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.919 0.268 7.111 1.00 0.00 C ATOM 0 H VAL A 115 2.055 -1.690 4.521 1.00 0.00 H new ATOM 0 HA VAL A 115 0.967 -2.184 7.123 1.00 0.00 H new ATOM 0 HB VAL A 115 0.696 -0.154 5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.438 0.733 5.877 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.637 -0.859 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.631 -0.722 6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.641 1.318 7.018 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.554 -0.121 8.061 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.004 0.175 7.074 1.00 0.00 H new ATOM 1752 N ASP A 116 -0.872 -2.921 4.441 1.00 0.00 N ATOM 1753 CA ASP A 116 -1.950 -3.780 3.955 1.00 0.00 C ATOM 1754 C ASP A 116 -1.701 -5.235 4.345 1.00 0.00 C ATOM 1755 O ASP A 116 -2.629 -5.959 4.709 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.076 -3.662 2.434 1.00 0.00 C ATOM 1757 CG ASP A 116 -3.437 -4.105 1.929 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -4.100 -4.902 2.626 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -3.840 -3.653 0.837 1.00 0.00 O ATOM 0 H ASP A 116 -0.446 -2.334 3.723 1.00 0.00 H new ATOM 0 HA ASP A 116 -2.881 -3.452 4.417 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.900 -2.628 2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.302 -4.266 1.960 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.442 -5.658 4.274 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.071 -7.019 4.644 1.00 0.00 C ATOM 1766 C GLU A 117 -0.192 -7.212 6.149 1.00 0.00 C ATOM 1767 O GLU A 117 -0.652 -8.254 6.616 1.00 0.00 O ATOM 1768 CB GLU A 117 1.358 -7.325 4.187 1.00 0.00 C ATOM 1769 CG GLU A 117 1.452 -7.907 2.782 1.00 0.00 C ATOM 1770 CD GLU A 117 0.227 -7.619 1.933 1.00 0.00 C ATOM 1771 OE1 GLU A 117 0.143 -6.508 1.368 1.00 0.00 O ATOM 1772 OE2 GLU A 117 -0.646 -8.507 1.830 1.00 0.00 O ATOM 0 H GLU A 117 0.337 -5.078 3.964 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.753 -7.709 4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.945 -6.408 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.810 -8.025 4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 117 2.334 -7.501 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.593 -8.986 2.851 1.00 0.00 H new ATOM 1779 N ALA A 118 0.209 -6.193 6.906 1.00 0.00 N ATOM 1780 CA ALA A 118 0.101 -6.241 8.357 1.00 0.00 C ATOM 1781 C ALA A 118 -1.361 -6.297 8.769 1.00 0.00 C ATOM 1782 O ALA A 118 -1.694 -6.750 9.860 1.00 0.00 O ATOM 1783 CB ALA A 118 0.792 -5.047 8.994 1.00 0.00 C ATOM 0 H ALA A 118 0.609 -5.330 6.539 1.00 0.00 H new ATOM 0 HA ALA A 118 0.600 -7.143 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.697 -5.107 10.078 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.848 -5.050 8.722 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.328 -4.126 8.639 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.227 -5.844 7.869 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.662 -5.878 8.096 1.00 0.00 C ATOM 1791 C VAL A 119 -4.138 -7.311 8.173 1.00 0.00 C ATOM 1792 O VAL A 119 -4.908 -7.684 9.055 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.396 -5.161 6.969 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -5.896 -5.136 7.199 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -3.851 -3.767 6.858 1.00 0.00 C ATOM 0 H VAL A 119 -1.955 -5.447 6.970 1.00 0.00 H new ATOM 0 HA VAL A 119 -3.875 -5.372 9.038 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.232 -5.702 6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.382 -4.616 6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.272 -6.157 7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.112 -4.617 8.133 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.365 -3.238 6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.007 -3.239 7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -2.784 -3.810 6.639 1.00 0.00 H new ATOM 1805 N ALA A 120 -3.648 -8.114 7.240 1.00 0.00 N ATOM 1806 CA ALA A 120 -3.949 -9.529 7.212 1.00 0.00 C ATOM 1807 C ALA A 120 -3.466 -10.177 8.502 1.00 0.00 C ATOM 1808 O ALA A 120 -4.000 -11.191 8.952 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.283 -10.165 6.003 1.00 0.00 C ATOM 0 H ALA A 120 -3.035 -7.801 6.487 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.026 -9.678 7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.510 -11.231 5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.657 -9.696 5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.204 -10.025 6.066 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.459 -9.549 9.101 1.00 0.00 N ATOM 1816 CA VAL A 121 -1.880 -10.016 10.348 1.00 0.00 C ATOM 1817 C VAL A 121 -2.643 -9.454 11.546 1.00 0.00 C ATOM 1818 O VAL A 121 -2.740 -10.098 12.592 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.395 -9.607 10.430 1.00 0.00 C ATOM 1820 CG1 VAL A 121 0.110 -9.637 11.863 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.449 -10.507 9.541 1.00 0.00 C ATOM 0 H VAL A 121 -2.024 -8.703 8.733 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.953 -11.103 10.372 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.307 -8.581 10.073 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.160 -9.344 11.885 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.473 -8.944 12.469 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.007 -10.645 12.264 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.495 -10.207 9.608 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.346 -11.542 9.868 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.112 -10.418 8.508 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.187 -8.251 11.384 1.00 0.00 N ATOM 1832 CA LEU A 122 -3.955 -7.612 12.444 1.00 0.00 C ATOM 1833 C LEU A 122 -5.297 -8.312 12.609 1.00 0.00 C ATOM 1834 O LEU A 122 -5.764 -8.531 13.726 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.148 -6.117 12.137 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.603 -5.644 12.002 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -5.965 -4.703 13.141 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.820 -4.965 10.660 1.00 0.00 C ATOM 0 H LEU A 122 -3.109 -7.701 10.529 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.406 -7.696 13.382 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.670 -5.539 12.927 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.623 -5.885 11.210 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.255 -6.516 12.055 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.999 -4.378 13.029 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.848 -5.222 14.093 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.307 -3.834 13.118 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.856 -4.636 10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.159 -4.103 10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.601 -5.668 9.857 1.00 0.00 H new ATOM 1850 N GLN A 123 -5.904 -8.671 11.483 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.178 -9.369 11.488 1.00 0.00 C ATOM 1852 C GLN A 123 -7.003 -10.776 12.041 1.00 0.00 C ATOM 1853 O GLN A 123 -7.900 -11.316 12.687 1.00 0.00 O ATOM 1854 CB GLN A 123 -7.755 -9.423 10.072 1.00 0.00 C ATOM 1855 CG GLN A 123 -8.383 -8.114 9.622 1.00 0.00 C ATOM 1856 CD GLN A 123 -9.609 -7.745 10.434 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -10.420 -8.604 10.780 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -9.750 -6.461 10.741 1.00 0.00 N ATOM 0 H GLN A 123 -5.529 -8.487 10.552 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.874 -8.827 12.128 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -6.962 -9.695 9.375 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.505 -10.212 10.024 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.645 -7.315 9.702 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.658 -8.190 8.570 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.053 -5.783 10.433 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.556 -6.152 11.285 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.829 -11.353 11.798 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.511 -12.691 12.283 1.00 0.00 C ATOM 1869 C ALA A 124 -5.131 -12.659 13.759 1.00 0.00 C ATOM 1870 O ALA A 124 -5.024 -13.701 14.406 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.383 -13.293 11.460 1.00 0.00 C ATOM 0 H ALA A 124 -5.080 -10.911 11.265 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.399 -13.314 12.175 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.155 -14.292 11.832 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.688 -13.355 10.415 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.497 -12.664 11.542 1.00 0.00 H new