USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=15 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= 0.68 K(o=1.4,f=-3.4) USER MOD Set 1.2: A 110 SER OG : rot 146:sc= 0.748 USER MOD Set 2.1: A 54 THR OG1 : rot 180:sc= -0.251 USER MOD Set 2.2: A 57 MET CE :methyl -177:sc= -0.575 (180deg=-0.593) USER MOD Single : A 56 SER OG : rot 180:sc= -0.144 USER MOD Single : A 60 SER OG : rot -33:sc= 0.33 USER MOD Single : A 66 GLN : amide:sc= -0.17 K(o=-0.17,f=-2.4!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.022) USER MOD Single : A 69 MET CE :methyl -167:sc= -0.0123 (180deg=-0.47) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 81 MET CE :methyl -133:sc= -2.19 (180deg=-4.06!) USER MOD Single : A 82 HIS : no HD1:sc= -6.76! C(o=-6.8!,f=-11!) USER MOD Single : A 84 THR OG1 : rot 6:sc= 0.732 USER MOD Single : A 88 LYS NZ :NH3+ 162:sc= -2.65! (180deg=-3.44!) USER MOD Single : A 90 THR OG1 : rot -80:sc= -2.68! USER MOD Single : A 92 MET CE :methyl -116:sc= -6.64! (180deg=-9.25!) 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 USER MOD Single : A 104 MET CE :methyl -171:sc= -7.62! (180deg=-8.74!) USER MOD Single : A 107 SER OG : rot 180:sc= -0.155 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= -0.57 X(o=-0.57,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 765 N LEU A 53 0.610 8.649 3.699 1.00 0.00 N ATOM 766 CA LEU A 53 1.893 8.694 4.392 1.00 0.00 C ATOM 767 C LEU A 53 2.739 7.481 4.029 1.00 0.00 C ATOM 768 O LEU A 53 2.206 6.416 3.714 1.00 0.00 O ATOM 769 CB LEU A 53 1.680 8.734 5.905 1.00 0.00 C ATOM 770 CG LEU A 53 2.685 9.584 6.690 1.00 0.00 C ATOM 771 CD1 LEU A 53 1.964 10.643 7.507 1.00 0.00 C ATOM 772 CD2 LEU A 53 3.535 8.709 7.598 1.00 0.00 C ATOM 0 HA LEU A 53 2.416 9.598 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.677 9.112 6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.717 7.714 6.287 1.00 0.00 H new ATOM 0 HG LEU A 53 3.341 10.081 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.693 11.237 8.058 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.396 11.292 6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.284 10.160 8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.242 9.332 8.146 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.891 8.184 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.082 7.983 6.996 1.00 0.00 H new ATOM 784 N THR A 54 4.057 7.644 4.078 1.00 0.00 N ATOM 785 CA THR A 54 4.975 6.557 3.764 1.00 0.00 C ATOM 786 C THR A 54 6.405 6.936 4.128 1.00 0.00 C ATOM 787 O THR A 54 6.630 7.835 4.939 1.00 0.00 O ATOM 788 CB THR A 54 4.891 6.193 2.281 1.00 0.00 C ATOM 789 OG1 THR A 54 4.182 7.184 1.559 1.00 0.00 O ATOM 790 CG2 THR A 54 4.212 4.864 2.032 1.00 0.00 C ATOM 0 H THR A 54 4.513 8.520 4.333 1.00 0.00 H new ATOM 0 HA THR A 54 4.684 5.689 4.355 1.00 0.00 H new ATOM 0 HB THR A 54 5.924 6.124 1.940 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.141 6.933 0.613 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.185 4.664 0.961 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.767 4.072 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.194 4.897 2.421 1.00 0.00 H new ATOM 798 N ALA A 55 7.367 6.246 3.526 1.00 0.00 N ATOM 799 CA ALA A 55 8.774 6.507 3.796 1.00 0.00 C ATOM 800 C ALA A 55 9.152 7.936 3.430 1.00 0.00 C ATOM 801 O ALA A 55 9.953 8.569 4.116 1.00 0.00 O ATOM 802 CB ALA A 55 9.645 5.518 3.045 1.00 0.00 C ATOM 0 H ALA A 55 7.198 5.503 2.849 1.00 0.00 H new ATOM 0 HA ALA A 55 8.941 6.382 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.694 5.724 3.256 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.403 4.504 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.464 5.614 1.974 1.00 0.00 H new ATOM 808 N SER A 56 8.575 8.438 2.342 1.00 0.00 N ATOM 809 CA SER A 56 8.847 9.799 1.898 1.00 0.00 C ATOM 810 C SER A 56 8.454 10.798 2.980 1.00 0.00 C ATOM 811 O SER A 56 9.216 11.708 3.307 1.00 0.00 O ATOM 812 CB SER A 56 8.090 10.103 0.606 1.00 0.00 C ATOM 813 OG SER A 56 8.235 9.050 -0.331 1.00 0.00 O ATOM 0 H SER A 56 7.919 7.924 1.754 1.00 0.00 H new ATOM 0 HA SER A 56 9.916 9.890 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.033 10.254 0.827 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.461 11.032 0.174 1.00 0.00 H new ATOM 0 HG SER A 56 7.740 9.269 -1.148 1.00 0.00 H new ATOM 819 N MET A 57 7.264 10.608 3.541 1.00 0.00 N ATOM 820 CA MET A 57 6.776 11.468 4.609 1.00 0.00 C ATOM 821 C MET A 57 7.707 11.392 5.812 1.00 0.00 C ATOM 822 O MET A 57 7.999 12.399 6.456 1.00 0.00 O ATOM 823 CB MET A 57 5.364 11.049 5.022 1.00 0.00 C ATOM 824 CG MET A 57 4.263 11.553 4.097 1.00 0.00 C ATOM 825 SD MET A 57 4.878 12.126 2.500 1.00 0.00 S ATOM 826 CE MET A 57 4.525 10.704 1.471 1.00 0.00 C ATOM 0 H MET A 57 6.620 9.864 3.272 1.00 0.00 H new ATOM 0 HA MET A 57 6.750 12.494 4.243 1.00 0.00 H new ATOM 0 HB2 MET A 57 5.318 9.961 5.062 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.170 11.414 6.031 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.540 10.753 3.934 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.731 12.368 4.587 1.00 0.00 H new ATOM 0 HE1 MET A 57 4.897 10.884 0.462 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.015 9.823 1.887 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.448 10.538 1.437 1.00 0.00 H new ATOM 836 N LEU A 58 8.167 10.180 6.103 1.00 0.00 N ATOM 837 CA LEU A 58 9.080 9.945 7.213 1.00 0.00 C ATOM 838 C LEU A 58 10.349 10.771 7.046 1.00 0.00 C ATOM 839 O LEU A 58 10.808 11.426 7.982 1.00 0.00 O ATOM 840 CB LEU A 58 9.443 8.459 7.280 1.00 0.00 C ATOM 841 CG LEU A 58 8.423 7.535 7.962 1.00 0.00 C ATOM 842 CD1 LEU A 58 7.096 8.245 8.209 1.00 0.00 C ATOM 843 CD2 LEU A 58 8.210 6.285 7.120 1.00 0.00 C ATOM 0 H LEU A 58 7.919 9.340 5.580 1.00 0.00 H new ATOM 0 HA LEU A 58 8.585 10.243 8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.602 8.100 6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.394 8.363 7.804 1.00 0.00 H new ATOM 0 HG LEU A 58 8.826 7.249 8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.401 7.559 8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.260 9.109 8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.678 8.575 7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.485 5.635 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.836 6.568 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.156 5.755 7.009 1.00 0.00 H new ATOM 855 N ALA A 59 10.908 10.728 5.842 1.00 0.00 N ATOM 856 CA ALA A 59 12.130 11.464 5.536 1.00 0.00 C ATOM 857 C ALA A 59 11.880 12.969 5.525 1.00 0.00 C ATOM 858 O ALA A 59 12.822 13.761 5.515 1.00 0.00 O ATOM 859 CB ALA A 59 12.695 11.011 4.199 1.00 0.00 C ATOM 0 H ALA A 59 10.534 10.190 5.060 1.00 0.00 H new ATOM 0 HA ALA A 59 12.858 11.251 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.607 11.568 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.922 9.946 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.962 11.195 3.413 1.00 0.00 H new ATOM 865 N SER A 60 10.609 13.354 5.524 1.00 0.00 N ATOM 866 CA SER A 60 10.239 14.765 5.514 1.00 0.00 C ATOM 867 C SER A 60 10.427 15.388 6.894 1.00 0.00 C ATOM 868 O SER A 60 10.303 16.602 7.059 1.00 0.00 O ATOM 869 CB SER A 60 8.787 14.930 5.062 1.00 0.00 C ATOM 870 OG SER A 60 8.412 16.296 5.034 1.00 0.00 O ATOM 0 H SER A 60 9.818 12.710 5.530 1.00 0.00 H new ATOM 0 HA SER A 60 10.893 15.280 4.810 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.660 14.495 4.071 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.129 14.383 5.737 1.00 0.00 H new ATOM 0 HG SER A 60 8.885 16.780 5.743 1.00 0.00 H new ATOM 876 N ALA A 61 10.733 14.550 7.881 1.00 0.00 N ATOM 877 CA ALA A 61 10.940 15.021 9.247 1.00 0.00 C ATOM 878 C ALA A 61 12.193 14.395 9.864 1.00 0.00 C ATOM 879 O ALA A 61 12.114 13.716 10.888 1.00 0.00 O ATOM 880 CB ALA A 61 9.718 14.709 10.098 1.00 0.00 C ATOM 0 H ALA A 61 10.843 13.543 7.761 1.00 0.00 H new ATOM 0 HA ALA A 61 11.086 16.101 9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.883 15.064 11.115 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.845 15.207 9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.550 13.632 10.113 1.00 0.00 H new ATOM 946 N GLN A 66 10.453 11.327 11.836 1.00 0.00 N ATOM 947 CA GLN A 66 11.242 10.360 11.067 1.00 0.00 C ATOM 948 C GLN A 66 11.018 8.939 11.583 1.00 0.00 C ATOM 949 O GLN A 66 10.898 7.997 10.800 1.00 0.00 O ATOM 950 CB GLN A 66 12.732 10.710 11.110 1.00 0.00 C ATOM 951 CG GLN A 66 13.411 10.650 9.751 1.00 0.00 C ATOM 952 CD GLN A 66 14.880 10.284 9.850 1.00 0.00 C ATOM 953 OE1 GLN A 66 15.332 9.751 10.863 1.00 0.00 O ATOM 954 NE2 GLN A 66 15.633 10.569 8.793 1.00 0.00 N ATOM 0 HA GLN A 66 10.906 10.408 10.031 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.849 11.712 11.521 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.238 10.025 11.790 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.899 9.919 9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.313 11.617 9.257 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.216 11.011 7.974 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.628 10.345 8.801 1.00 0.00 H new ATOM 963 N LYS A 67 10.956 8.795 12.904 1.00 0.00 N ATOM 964 CA LYS A 67 10.728 7.501 13.528 1.00 0.00 C ATOM 965 C LYS A 67 9.523 7.566 14.458 1.00 0.00 C ATOM 966 O LYS A 67 9.349 6.711 15.328 1.00 0.00 O ATOM 967 CB LYS A 67 11.966 7.058 14.312 1.00 0.00 C ATOM 968 CG LYS A 67 13.279 7.416 13.635 1.00 0.00 C ATOM 969 CD LYS A 67 14.373 6.417 13.979 1.00 0.00 C ATOM 970 CE LYS A 67 14.625 5.450 12.834 1.00 0.00 C ATOM 971 NZ LYS A 67 15.772 4.544 13.114 1.00 0.00 N ATOM 0 H LYS A 67 11.062 9.566 13.564 1.00 0.00 H new ATOM 0 HA LYS A 67 10.530 6.772 12.742 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.941 7.515 15.301 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.925 5.979 14.458 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.137 7.444 12.555 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.587 8.415 13.942 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.294 6.951 14.215 1.00 0.00 H new ATOM 0 HD3 LYS A 67 14.090 5.859 14.872 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.728 4.856 12.657 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.821 6.012 11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.911 3.900 12.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.633 5.109 13.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.575 3.989 13.971 1.00 0.00 H new ATOM 985 N GLN A 68 8.693 8.590 14.271 1.00 0.00 N ATOM 986 CA GLN A 68 7.508 8.775 15.101 1.00 0.00 C ATOM 987 C GLN A 68 6.227 8.626 14.284 1.00 0.00 C ATOM 988 O GLN A 68 5.275 7.985 14.725 1.00 0.00 O ATOM 989 CB GLN A 68 7.544 10.151 15.769 1.00 0.00 C ATOM 990 CG GLN A 68 8.739 10.351 16.688 1.00 0.00 C ATOM 991 CD GLN A 68 8.348 10.402 18.152 1.00 0.00 C ATOM 992 OE1 GLN A 68 8.893 9.667 18.977 1.00 0.00 O ATOM 993 NE2 GLN A 68 7.402 11.273 18.483 1.00 0.00 N ATOM 0 H GLN A 68 8.820 9.303 13.553 1.00 0.00 H new ATOM 0 HA GLN A 68 7.512 8.000 15.868 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.557 10.920 14.997 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.628 10.291 16.343 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.451 9.540 16.534 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.248 11.277 16.419 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.978 11.862 17.766 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.099 11.353 19.454 1.00 0.00 H new ATOM 1002 N MET A 69 6.206 9.221 13.093 1.00 0.00 N ATOM 1003 CA MET A 69 5.025 9.168 12.232 1.00 0.00 C ATOM 1004 C MET A 69 4.899 7.819 11.529 1.00 0.00 C ATOM 1005 O MET A 69 3.885 7.540 10.890 1.00 0.00 O ATOM 1006 CB MET A 69 5.071 10.280 11.181 1.00 0.00 C ATOM 1007 CG MET A 69 5.556 11.619 11.713 1.00 0.00 C ATOM 1008 SD MET A 69 5.485 12.921 10.468 1.00 0.00 S ATOM 1009 CE MET A 69 6.798 12.397 9.370 1.00 0.00 C ATOM 0 H MET A 69 6.990 9.744 12.703 1.00 0.00 H new ATOM 0 HA MET A 69 4.156 9.307 12.875 1.00 0.00 H new ATOM 0 HB2 MET A 69 5.723 9.968 10.366 1.00 0.00 H new ATOM 0 HB3 MET A 69 4.074 10.408 10.760 1.00 0.00 H new ATOM 0 HG2 MET A 69 4.949 11.907 12.571 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.581 11.516 12.068 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.040 13.205 8.680 1.00 0.00 H new ATOM 0 HE2 MET A 69 7.682 12.143 9.955 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.473 11.523 8.805 1.00 0.00 H new ATOM 1019 N LEU A 70 5.936 6.994 11.629 1.00 0.00 N ATOM 1020 CA LEU A 70 5.936 5.693 10.965 1.00 0.00 C ATOM 1021 C LEU A 70 4.769 4.824 11.418 1.00 0.00 C ATOM 1022 O LEU A 70 4.181 4.097 10.617 1.00 0.00 O ATOM 1023 CB LEU A 70 7.251 4.939 11.209 1.00 0.00 C ATOM 1024 CG LEU A 70 8.060 5.354 12.446 1.00 0.00 C ATOM 1025 CD1 LEU A 70 7.193 5.398 13.696 1.00 0.00 C ATOM 1026 CD2 LEU A 70 9.217 4.393 12.651 1.00 0.00 C ATOM 0 H LEU A 70 6.783 7.200 12.159 1.00 0.00 H new ATOM 0 HA LEU A 70 5.830 5.893 9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.024 3.876 11.291 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.884 5.064 10.330 1.00 0.00 H new ATOM 0 HG LEU A 70 8.444 6.359 12.273 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.801 5.696 14.550 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.388 6.119 13.555 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.768 4.411 13.879 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.787 4.693 13.530 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.831 3.384 12.796 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.865 4.411 11.775 1.00 0.00 H new ATOM 1038 N GLY A 71 4.459 4.869 12.709 1.00 0.00 N ATOM 1039 CA GLY A 71 3.378 4.059 13.230 1.00 0.00 C ATOM 1040 C GLY A 71 2.608 4.749 14.339 1.00 0.00 C ATOM 1041 O GLY A 71 2.050 4.089 15.217 1.00 0.00 O ATOM 0 H GLY A 71 4.935 5.449 13.400 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.693 3.810 12.419 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.783 3.119 13.605 1.00 0.00 H new ATOM 1045 N GLU A 72 2.573 6.079 14.301 1.00 0.00 N ATOM 1046 CA GLU A 72 1.865 6.854 15.316 1.00 0.00 C ATOM 1047 C GLU A 72 1.095 8.014 14.691 1.00 0.00 C ATOM 1048 O GLU A 72 0.292 8.666 15.360 1.00 0.00 O ATOM 1049 CB GLU A 72 2.847 7.389 16.361 1.00 0.00 C ATOM 1050 CG GLU A 72 3.754 6.320 16.952 1.00 0.00 C ATOM 1051 CD GLU A 72 3.365 5.941 18.368 1.00 0.00 C ATOM 1052 OE1 GLU A 72 3.674 6.717 19.297 1.00 0.00 O ATOM 1053 OE2 GLU A 72 2.753 4.867 18.548 1.00 0.00 O ATOM 0 H GLU A 72 3.026 6.641 13.580 1.00 0.00 H new ATOM 0 HA GLU A 72 1.150 6.189 15.801 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.463 8.164 15.905 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.285 7.862 17.166 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.722 5.432 16.321 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.783 6.678 16.946 1.00 0.00 H new ATOM 1060 N ARG A 73 1.328 8.260 13.405 1.00 0.00 N ATOM 1061 CA ARG A 73 0.657 9.347 12.704 1.00 0.00 C ATOM 1062 C ARG A 73 -0.019 8.843 11.433 1.00 0.00 C ATOM 1063 O ARG A 73 -0.864 9.527 10.855 1.00 0.00 O ATOM 1064 CB ARG A 73 1.661 10.446 12.356 1.00 0.00 C ATOM 1065 CG ARG A 73 1.100 11.853 12.498 1.00 0.00 C ATOM 1066 CD ARG A 73 0.369 12.294 11.241 1.00 0.00 C ATOM 1067 NE ARG A 73 -0.877 12.991 11.548 1.00 0.00 N ATOM 1068 CZ ARG A 73 -0.967 14.309 11.705 1.00 0.00 C ATOM 1069 NH1 ARG A 73 0.112 15.070 11.581 1.00 0.00 N ATOM 1070 NH2 ARG A 73 -2.137 14.867 11.985 1.00 0.00 N ATOM 0 H ARG A 73 1.975 7.722 12.829 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.110 9.754 13.364 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.534 10.346 13.001 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.003 10.302 11.331 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.418 11.889 13.348 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.911 12.549 12.711 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.016 12.948 10.656 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.154 11.423 10.622 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.727 12.436 11.648 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.014 14.645 11.365 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.040 16.080 11.702 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.970 14.286 12.080 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.204 15.878 12.105 1.00 0.00 H new ATOM 1084 N LEU A 74 0.349 7.638 11.012 1.00 0.00 N ATOM 1085 CA LEU A 74 -0.213 7.042 9.807 1.00 0.00 C ATOM 1086 C LEU A 74 -1.621 6.523 10.037 1.00 0.00 C ATOM 1087 O LEU A 74 -2.388 6.365 9.092 1.00 0.00 O ATOM 1088 CB LEU A 74 0.658 5.882 9.348 1.00 0.00 C ATOM 1089 CG LEU A 74 1.475 6.147 8.099 1.00 0.00 C ATOM 1090 CD1 LEU A 74 2.829 5.473 8.221 1.00 0.00 C ATOM 1091 CD2 LEU A 74 0.726 5.668 6.865 1.00 0.00 C ATOM 0 H LEU A 74 1.036 7.054 11.489 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.247 7.823 9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.337 5.615 10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.019 5.017 9.169 1.00 0.00 H new ATOM 0 HG LEU A 74 1.635 7.220 7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.414 5.666 7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.356 5.870 9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.691 4.398 8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.325 5.865 5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.538 4.597 6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.223 6.198 6.787 1.00 0.00 H new ATOM 1103 N PHE A 75 -1.926 6.200 11.288 1.00 0.00 N ATOM 1104 CA PHE A 75 -3.224 5.630 11.644 1.00 0.00 C ATOM 1105 C PHE A 75 -4.384 6.338 10.928 1.00 0.00 C ATOM 1106 O PHE A 75 -5.188 5.684 10.261 1.00 0.00 O ATOM 1107 CB PHE A 75 -3.425 5.667 13.166 1.00 0.00 C ATOM 1108 CG PHE A 75 -4.855 5.493 13.597 1.00 0.00 C ATOM 1109 CD1 PHE A 75 -5.642 4.490 13.053 1.00 0.00 C ATOM 1110 CD2 PHE A 75 -5.411 6.333 14.549 1.00 0.00 C ATOM 1111 CE1 PHE A 75 -6.962 4.339 13.438 1.00 0.00 C ATOM 1112 CE2 PHE A 75 -6.726 6.179 14.947 1.00 0.00 C ATOM 1113 CZ PHE A 75 -7.501 5.180 14.393 1.00 0.00 C ATOM 0 H PHE A 75 -1.291 6.323 12.077 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.226 4.592 11.310 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.821 4.882 13.621 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.054 6.618 13.548 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.220 3.819 12.320 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.810 7.117 14.985 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.570 3.565 12.993 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.147 6.840 15.691 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.527 5.056 14.706 1.00 0.00 H new ATOM 1123 N PRO A 76 -4.512 7.674 11.067 1.00 0.00 N ATOM 1124 CA PRO A 76 -5.604 8.421 10.430 1.00 0.00 C ATOM 1125 C PRO A 76 -5.595 8.281 8.912 1.00 0.00 C ATOM 1126 O PRO A 76 -6.598 8.548 8.249 1.00 0.00 O ATOM 1127 CB PRO A 76 -5.342 9.877 10.836 1.00 0.00 C ATOM 1128 CG PRO A 76 -3.912 9.914 11.255 1.00 0.00 C ATOM 1129 CD PRO A 76 -3.621 8.561 11.836 1.00 0.00 C ATOM 0 HA PRO A 76 -6.580 8.051 10.745 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.526 10.557 10.004 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.999 10.183 11.650 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.261 10.123 10.406 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.740 10.700 11.990 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.573 8.286 11.714 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.838 8.525 12.904 1.00 0.00 H new ATOM 1137 N LEU A 77 -4.458 7.861 8.368 1.00 0.00 N ATOM 1138 CA LEU A 77 -4.312 7.711 6.926 1.00 0.00 C ATOM 1139 C LEU A 77 -4.488 6.260 6.481 1.00 0.00 C ATOM 1140 O LEU A 77 -4.798 6.002 5.317 1.00 0.00 O ATOM 1141 CB LEU A 77 -2.948 8.242 6.483 1.00 0.00 C ATOM 1142 CG LEU A 77 -2.758 9.751 6.670 1.00 0.00 C ATOM 1143 CD1 LEU A 77 -1.373 10.175 6.213 1.00 0.00 C ATOM 1144 CD2 LEU A 77 -3.829 10.524 5.916 1.00 0.00 C ATOM 0 H LEU A 77 -3.625 7.619 8.904 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.101 8.293 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.171 7.720 7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.803 7.999 5.430 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.855 9.979 7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.257 11.250 6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.620 9.649 6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.247 9.931 5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.676 11.593 6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.766 10.290 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.813 10.243 6.292 1.00 0.00 H new ATOM 1156 N ILE A 78 -4.290 5.311 7.396 1.00 0.00 N ATOM 1157 CA ILE A 78 -4.455 3.898 7.058 1.00 0.00 C ATOM 1158 C ILE A 78 -5.909 3.599 6.718 1.00 0.00 C ATOM 1159 O ILE A 78 -6.198 2.811 5.820 1.00 0.00 O ATOM 1160 CB ILE A 78 -4.019 2.961 8.196 1.00 0.00 C ATOM 1161 CG1 ILE A 78 -2.691 3.417 8.797 1.00 0.00 C ATOM 1162 CG2 ILE A 78 -3.916 1.532 7.685 1.00 0.00 C ATOM 1163 CD1 ILE A 78 -1.509 3.240 7.870 1.00 0.00 C ATOM 0 H ILE A 78 -4.019 5.491 8.363 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.813 3.713 6.197 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.772 2.997 8.983 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.770 4.468 9.073 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.508 2.859 9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.606 0.876 8.499 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.887 1.210 7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.181 1.485 6.882 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.602 3.586 8.366 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.403 2.186 7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.669 3.821 6.961 1.00 0.00 H new ATOM 1175 N GLN A 79 -6.820 4.238 7.450 1.00 0.00 N ATOM 1176 CA GLN A 79 -8.253 4.070 7.219 1.00 0.00 C ATOM 1177 C GLN A 79 -8.592 4.354 5.759 1.00 0.00 C ATOM 1178 O GLN A 79 -9.652 3.973 5.263 1.00 0.00 O ATOM 1179 CB GLN A 79 -9.041 5.015 8.124 1.00 0.00 C ATOM 1180 CG GLN A 79 -9.559 4.357 9.394 1.00 0.00 C ATOM 1181 CD GLN A 79 -9.525 5.290 10.589 1.00 0.00 C ATOM 1182 OE1 GLN A 79 -8.474 5.824 10.944 1.00 0.00 O ATOM 1183 NE2 GLN A 79 -10.678 5.489 11.218 1.00 0.00 N ATOM 0 H GLN A 79 -6.590 4.878 8.210 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.525 3.040 7.450 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.405 5.858 8.396 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.885 5.419 7.565 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.582 4.017 9.232 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.960 3.472 9.611 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.525 5.026 10.889 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.716 6.105 12.030 1.00 0.00 H new ATOM 1192 N ALA A 80 -7.676 5.037 5.086 1.00 0.00 N ATOM 1193 CA ALA A 80 -7.837 5.385 3.679 1.00 0.00 C ATOM 1194 C ALA A 80 -7.452 4.219 2.779 1.00 0.00 C ATOM 1195 O ALA A 80 -8.020 4.035 1.702 1.00 0.00 O ATOM 1196 CB ALA A 80 -6.976 6.593 3.345 1.00 0.00 C ATOM 0 H ALA A 80 -6.802 5.365 5.498 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.887 5.622 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.100 6.849 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.280 7.438 3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.929 6.359 3.541 1.00 0.00 H new ATOM 1202 N MET A 81 -6.454 3.459 3.213 1.00 0.00 N ATOM 1203 CA MET A 81 -5.953 2.329 2.440 1.00 0.00 C ATOM 1204 C MET A 81 -6.858 1.114 2.597 1.00 0.00 C ATOM 1205 O MET A 81 -7.133 0.400 1.632 1.00 0.00 O ATOM 1206 CB MET A 81 -4.531 1.989 2.890 1.00 0.00 C ATOM 1207 CG MET A 81 -3.785 3.184 3.463 1.00 0.00 C ATOM 1208 SD MET A 81 -2.241 3.523 2.604 1.00 0.00 S ATOM 1209 CE MET A 81 -1.196 2.241 3.283 1.00 0.00 C ATOM 0 H MET A 81 -5.974 3.606 4.101 1.00 0.00 H new ATOM 0 HA MET A 81 -5.944 2.607 1.386 1.00 0.00 H new ATOM 0 HB2 MET A 81 -4.573 1.200 3.641 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.973 1.592 2.042 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.425 4.065 3.410 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.576 3.004 4.518 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.242 2.672 3.585 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.684 1.795 4.150 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.025 1.473 2.528 1.00 0.00 H new ATOM 1219 N HIS A 82 -7.321 0.892 3.819 1.00 0.00 N ATOM 1220 CA HIS A 82 -8.205 -0.227 4.118 1.00 0.00 C ATOM 1221 C HIS A 82 -9.550 0.284 4.625 1.00 0.00 C ATOM 1222 O HIS A 82 -9.646 1.422 5.076 1.00 0.00 O ATOM 1223 CB HIS A 82 -7.560 -1.131 5.169 1.00 0.00 C ATOM 1224 CG HIS A 82 -6.853 -2.317 4.593 1.00 0.00 C ATOM 1225 ND1 HIS A 82 -7.179 -3.596 4.968 1.00 0.00 N ATOM 1226 CD2 HIS A 82 -5.846 -2.365 3.687 1.00 0.00 C ATOM 1227 CE1 HIS A 82 -6.382 -4.392 4.278 1.00 0.00 C ATOM 1228 NE2 HIS A 82 -5.547 -3.689 3.501 1.00 0.00 N ATOM 0 H HIS A 82 -7.097 1.476 4.625 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.370 -0.800 3.206 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.850 -0.545 5.753 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.330 -1.478 5.858 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.371 -1.523 3.205 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -6.401 -5.470 4.333 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -4.826 -4.068 2.887 1.00 0.00 H new ATOM 1236 N PRO A 83 -10.611 -0.544 4.556 1.00 0.00 N ATOM 1237 CA PRO A 83 -11.943 -0.154 5.034 1.00 0.00 C ATOM 1238 C PRO A 83 -11.958 0.079 6.541 1.00 0.00 C ATOM 1239 O PRO A 83 -12.445 -0.756 7.304 1.00 0.00 O ATOM 1240 CB PRO A 83 -12.826 -1.350 4.662 1.00 0.00 C ATOM 1241 CG PRO A 83 -11.883 -2.499 4.552 1.00 0.00 C ATOM 1242 CD PRO A 83 -10.594 -1.925 4.036 1.00 0.00 C ATOM 0 HA PRO A 83 -12.280 0.784 4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.585 -1.533 5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.351 -1.177 3.722 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.737 -2.979 5.520 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.271 -3.259 3.874 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -9.731 -2.482 4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.551 -1.945 2.947 1.00 0.00 H new ATOM 1250 N THR A 84 -11.399 1.215 6.960 1.00 0.00 N ATOM 1251 CA THR A 84 -11.312 1.568 8.374 1.00 0.00 C ATOM 1252 C THR A 84 -10.830 0.380 9.206 1.00 0.00 C ATOM 1253 O THR A 84 -11.274 0.178 10.337 1.00 0.00 O ATOM 1254 CB THR A 84 -12.669 2.056 8.888 1.00 0.00 C ATOM 1255 OG1 THR A 84 -13.615 1.000 8.892 1.00 0.00 O ATOM 1256 CG2 THR A 84 -13.247 3.191 8.071 1.00 0.00 C ATOM 0 H THR A 84 -10.997 1.911 6.332 1.00 0.00 H new ATOM 0 HA THR A 84 -10.586 2.374 8.476 1.00 0.00 H new ATOM 0 HB THR A 84 -12.481 2.419 9.898 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.169 0.160 8.655 1.00 0.00 H new ATOM 0 HG21 THR A 84 -14.209 3.488 8.490 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.564 4.040 8.093 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.386 2.864 7.041 1.00 0.00 H new ATOM 1264 N LEU A 85 -9.923 -0.407 8.631 1.00 0.00 N ATOM 1265 CA LEU A 85 -9.383 -1.580 9.307 1.00 0.00 C ATOM 1266 C LEU A 85 -8.180 -1.211 10.166 1.00 0.00 C ATOM 1267 O LEU A 85 -7.561 -2.075 10.787 1.00 0.00 O ATOM 1268 CB LEU A 85 -8.977 -2.639 8.279 1.00 0.00 C ATOM 1269 CG LEU A 85 -9.801 -3.930 8.306 1.00 0.00 C ATOM 1270 CD1 LEU A 85 -9.592 -4.671 9.618 1.00 0.00 C ATOM 1271 CD2 LEU A 85 -11.277 -3.632 8.088 1.00 0.00 C ATOM 0 H LEU A 85 -9.547 -0.251 7.696 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.160 -1.983 9.956 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.051 -2.202 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.929 -2.893 8.439 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.459 -4.570 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.186 -5.585 9.618 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.537 -4.923 9.730 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.903 -4.036 10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.843 -4.563 8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.635 -2.970 8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.412 -3.149 7.120 1.00 0.00 H new ATOM 1283 N ALA A 86 -7.852 0.076 10.192 1.00 0.00 N ATOM 1284 CA ALA A 86 -6.724 0.567 10.975 1.00 0.00 C ATOM 1285 C ALA A 86 -6.973 0.386 12.471 1.00 0.00 C ATOM 1286 O ALA A 86 -7.570 -0.603 12.895 1.00 0.00 O ATOM 1287 CB ALA A 86 -6.456 2.029 10.645 1.00 0.00 C ATOM 0 H ALA A 86 -8.353 0.800 9.678 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.843 -0.018 10.713 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.612 2.386 11.235 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.224 2.126 9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.340 2.623 10.879 1.00 0.00 H new ATOM 1293 N GLY A 87 -6.508 1.342 13.267 1.00 0.00 N ATOM 1294 CA GLY A 87 -6.660 1.243 14.704 1.00 0.00 C ATOM 1295 C GLY A 87 -5.541 0.436 15.320 1.00 0.00 C ATOM 1296 O GLY A 87 -5.365 0.425 16.539 1.00 0.00 O ATOM 0 H GLY A 87 -6.029 2.182 12.942 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.674 2.242 15.140 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.618 0.779 14.939 1.00 0.00 H new ATOM 1300 N LYS A 88 -4.774 -0.232 14.464 1.00 0.00 N ATOM 1301 CA LYS A 88 -3.658 -1.049 14.915 1.00 0.00 C ATOM 1302 C LYS A 88 -2.655 -1.324 13.795 1.00 0.00 C ATOM 1303 O LYS A 88 -1.510 -1.651 14.071 1.00 0.00 O ATOM 1304 CB LYS A 88 -4.168 -2.378 15.473 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.059 -3.283 15.982 1.00 0.00 C ATOM 1306 CD LYS A 88 -3.410 -4.749 15.802 1.00 0.00 C ATOM 1307 CE LYS A 88 -2.419 -5.444 14.886 1.00 0.00 C ATOM 1308 NZ LYS A 88 -2.461 -6.923 15.041 1.00 0.00 N ATOM 0 H LYS A 88 -4.907 -0.222 13.453 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.146 -0.487 15.696 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.866 -2.178 16.286 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.725 -2.900 14.695 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.134 -3.061 15.450 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.876 -3.078 17.037 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.421 -5.245 16.773 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.415 -4.837 15.388 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.636 -5.181 13.851 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.413 -5.085 15.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.015 -7.371 14.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.947 -7.196 15.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.450 -7.237 15.114 1.00 0.00 H new ATOM 1322 N ILE A 89 -3.088 -1.216 12.537 1.00 0.00 N ATOM 1323 CA ILE A 89 -2.219 -1.512 11.405 1.00 0.00 C ATOM 1324 C ILE A 89 -0.867 -0.812 11.522 1.00 0.00 C ATOM 1325 O ILE A 89 0.118 -1.428 11.906 1.00 0.00 O ATOM 1326 CB ILE A 89 -2.882 -1.122 10.071 1.00 0.00 C ATOM 1327 CG1 ILE A 89 -4.178 -1.911 9.876 1.00 0.00 C ATOM 1328 CG2 ILE A 89 -1.927 -1.364 8.913 1.00 0.00 C ATOM 1329 CD1 ILE A 89 -5.105 -1.311 8.842 1.00 0.00 C ATOM 0 H ILE A 89 -4.032 -0.927 12.281 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.053 -2.589 11.420 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.124 -0.060 10.097 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.931 -2.931 9.582 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.703 -1.972 10.829 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.411 -1.083 7.978 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.028 -0.763 9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.656 -2.419 8.879 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.002 -1.924 8.758 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.382 -0.301 9.144 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.599 -1.275 7.877 1.00 0.00 H new ATOM 1341 N THR A 90 -0.817 0.463 11.158 1.00 0.00 N ATOM 1342 CA THR A 90 0.429 1.224 11.217 1.00 0.00 C ATOM 1343 C THR A 90 1.037 1.159 12.615 1.00 0.00 C ATOM 1344 O THR A 90 2.253 1.039 12.764 1.00 0.00 O ATOM 1345 CB THR A 90 0.170 2.670 10.790 1.00 0.00 C ATOM 1346 OG1 THR A 90 0.953 2.994 9.655 1.00 0.00 O ATOM 1347 CG2 THR A 90 0.460 3.701 11.858 1.00 0.00 C ATOM 0 H THR A 90 -1.621 0.992 10.820 1.00 0.00 H new ATOM 0 HA THR A 90 1.149 0.783 10.528 1.00 0.00 H new ATOM 0 HB THR A 90 -0.898 2.711 10.575 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.868 3.204 9.938 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.249 4.697 11.469 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.168 3.510 12.728 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.509 3.640 12.148 1.00 0.00 H new ATOM 1355 N GLY A 91 0.187 1.221 13.638 1.00 0.00 N ATOM 1356 CA GLY A 91 0.675 1.098 14.998 1.00 0.00 C ATOM 1357 C GLY A 91 1.367 -0.232 15.194 1.00 0.00 C ATOM 1358 O GLY A 91 2.280 -0.365 16.011 1.00 0.00 O ATOM 0 H GLY A 91 -0.821 1.353 13.549 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.368 1.911 15.217 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.155 1.189 15.698 1.00 0.00 H new ATOM 1362 N MET A 92 0.939 -1.207 14.403 1.00 0.00 N ATOM 1363 CA MET A 92 1.535 -2.535 14.411 1.00 0.00 C ATOM 1364 C MET A 92 2.852 -2.502 13.676 1.00 0.00 C ATOM 1365 O MET A 92 3.806 -3.184 14.038 1.00 0.00 O ATOM 1366 CB MET A 92 0.618 -3.536 13.709 1.00 0.00 C ATOM 1367 CG MET A 92 0.778 -4.948 14.218 1.00 0.00 C ATOM 1368 SD MET A 92 0.757 -6.180 12.903 1.00 0.00 S ATOM 1369 CE MET A 92 -0.696 -5.677 11.990 1.00 0.00 C ATOM 0 H MET A 92 0.171 -1.100 13.740 1.00 0.00 H new ATOM 0 HA MET A 92 1.684 -2.839 15.447 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.418 -3.224 13.841 1.00 0.00 H new ATOM 0 HB3 MET A 92 0.822 -3.517 12.638 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.717 -5.026 14.766 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.023 -5.166 14.925 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.448 -6.465 12.040 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.100 -4.762 12.424 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.427 -5.497 10.949 1.00 0.00 H new ATOM 1379 N LEU A 93 2.872 -1.700 12.626 1.00 0.00 N ATOM 1380 CA LEU A 93 4.041 -1.550 11.776 1.00 0.00 C ATOM 1381 C LEU A 93 5.254 -1.091 12.574 1.00 0.00 C ATOM 1382 O LEU A 93 6.369 -1.037 12.058 1.00 0.00 O ATOM 1383 CB LEU A 93 3.731 -0.568 10.660 1.00 0.00 C ATOM 1384 CG LEU A 93 3.123 -1.197 9.402 1.00 0.00 C ATOM 1385 CD1 LEU A 93 4.140 -2.094 8.714 1.00 0.00 C ATOM 1386 CD2 LEU A 93 1.867 -1.984 9.748 1.00 0.00 C ATOM 0 H LEU A 93 2.075 -1.132 12.338 1.00 0.00 H new ATOM 0 HA LEU A 93 4.285 -2.521 11.346 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.043 0.187 11.040 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.650 -0.052 10.383 1.00 0.00 H new ATOM 0 HG LEU A 93 2.846 -0.396 8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.693 -2.533 7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.012 -1.505 8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.445 -2.888 9.396 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.451 -2.422 8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.117 -2.777 10.453 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.132 -1.317 10.199 1.00 0.00 H new ATOM 1398 N LEU A 94 5.029 -0.772 13.841 1.00 0.00 N ATOM 1399 CA LEU A 94 6.103 -0.396 14.735 1.00 0.00 C ATOM 1400 C LEU A 94 6.334 -1.524 15.731 1.00 0.00 C ATOM 1401 O LEU A 94 6.767 -1.300 16.862 1.00 0.00 O ATOM 1402 CB LEU A 94 5.756 0.906 15.456 1.00 0.00 C ATOM 1403 CG LEU A 94 6.360 2.171 14.839 1.00 0.00 C ATOM 1404 CD1 LEU A 94 7.835 2.284 15.194 1.00 0.00 C ATOM 1405 CD2 LEU A 94 6.168 2.181 13.326 1.00 0.00 C ATOM 0 H LEU A 94 4.104 -0.768 14.270 1.00 0.00 H new ATOM 0 HA LEU A 94 7.018 -0.230 14.166 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.672 1.013 15.478 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.090 0.830 16.491 1.00 0.00 H new ATOM 0 HG LEU A 94 5.839 3.035 15.252 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.248 3.188 14.748 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.946 2.331 16.277 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.369 1.414 14.812 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.605 3.089 12.910 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.658 1.310 12.891 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.103 2.151 13.094 1.00 0.00 H new ATOM 1417 N GLU A 95 6.003 -2.740 15.295 1.00 0.00 N ATOM 1418 CA GLU A 95 6.134 -3.927 16.130 1.00 0.00 C ATOM 1419 C GLU A 95 5.903 -5.206 15.321 1.00 0.00 C ATOM 1420 O GLU A 95 5.954 -6.307 15.869 1.00 0.00 O ATOM 1421 CB GLU A 95 5.142 -3.864 17.296 1.00 0.00 C ATOM 1422 CG GLU A 95 3.701 -4.150 16.894 1.00 0.00 C ATOM 1423 CD GLU A 95 2.800 -4.392 18.089 1.00 0.00 C ATOM 1424 OE1 GLU A 95 3.210 -5.145 18.999 1.00 0.00 O ATOM 1425 OE2 GLU A 95 1.686 -3.830 18.116 1.00 0.00 O ATOM 0 H GLU A 95 5.640 -2.926 14.360 1.00 0.00 H new ATOM 0 HA GLU A 95 7.152 -3.950 16.520 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.446 -4.581 18.058 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.193 -2.875 17.751 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.315 -3.310 16.317 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.676 -5.023 16.242 1.00 0.00 H new ATOM 1432 N ILE A 96 5.679 -5.060 14.012 1.00 0.00 N ATOM 1433 CA ILE A 96 5.436 -6.220 13.144 1.00 0.00 C ATOM 1434 C ILE A 96 6.648 -7.149 13.087 1.00 0.00 C ATOM 1435 O ILE A 96 7.448 -7.220 14.021 1.00 0.00 O ATOM 1436 CB ILE A 96 5.102 -5.814 11.688 1.00 0.00 C ATOM 1437 CG1 ILE A 96 6.301 -5.132 11.018 1.00 0.00 C ATOM 1438 CG2 ILE A 96 3.870 -4.934 11.615 1.00 0.00 C ATOM 1439 CD1 ILE A 96 6.731 -3.843 11.671 1.00 0.00 C ATOM 0 H ILE A 96 5.660 -4.160 13.532 1.00 0.00 H new ATOM 0 HA ILE A 96 4.582 -6.731 13.589 1.00 0.00 H new ATOM 0 HB ILE A 96 4.880 -6.730 11.141 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.143 -5.824 11.018 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.053 -4.932 9.976 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.671 -4.672 10.576 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.014 -5.471 12.024 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.037 -4.025 12.193 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.584 -3.429 11.133 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.907 -3.130 11.647 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.014 -4.036 12.706 1.00 0.00 H new ATOM 1451 N ASP A 97 6.789 -7.830 11.948 1.00 0.00 N ATOM 1452 CA ASP A 97 7.907 -8.727 11.699 1.00 0.00 C ATOM 1453 C ASP A 97 9.237 -7.984 11.792 1.00 0.00 C ATOM 1454 O ASP A 97 10.303 -8.585 11.663 1.00 0.00 O ATOM 1455 CB ASP A 97 7.751 -9.342 10.309 1.00 0.00 C ATOM 1456 CG ASP A 97 8.426 -10.694 10.189 1.00 0.00 C ATOM 1457 OD1 ASP A 97 8.281 -11.515 11.119 1.00 0.00 O ATOM 1458 OD2 ASP A 97 9.099 -10.932 9.164 1.00 0.00 O ATOM 0 H ASP A 97 6.127 -7.771 11.174 1.00 0.00 H new ATOM 0 HA ASP A 97 7.906 -9.511 12.457 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.691 -9.448 10.080 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.171 -8.663 9.567 1.00 0.00 H new ATOM 1463 N ASN A 98 9.148 -6.668 11.994 1.00 0.00 N ATOM 1464 CA ASN A 98 10.316 -5.798 12.117 1.00 0.00 C ATOM 1465 C ASN A 98 10.916 -5.473 10.754 1.00 0.00 C ATOM 1466 O ASN A 98 11.537 -4.424 10.577 1.00 0.00 O ATOM 1467 CB ASN A 98 11.376 -6.411 13.038 1.00 0.00 C ATOM 1468 CG ASN A 98 11.025 -6.255 14.504 1.00 0.00 C ATOM 1469 OD1 ASN A 98 10.232 -7.023 15.051 1.00 0.00 O ATOM 1470 ND2 ASN A 98 11.612 -5.254 15.150 1.00 0.00 N ATOM 0 H ASN A 98 8.259 -6.175 12.077 1.00 0.00 H new ATOM 0 HA ASN A 98 9.975 -4.866 12.567 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.488 -7.470 12.804 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.339 -5.938 12.845 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.412 -5.098 16.138 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.263 -4.642 14.658 1.00 0.00 H new ATOM 1477 N SER A 99 10.715 -6.362 9.789 1.00 0.00 N ATOM 1478 CA SER A 99 11.205 -6.132 8.436 1.00 0.00 C ATOM 1479 C SER A 99 10.324 -5.110 7.734 1.00 0.00 C ATOM 1480 O SER A 99 10.792 -4.328 6.910 1.00 0.00 O ATOM 1481 CB SER A 99 11.234 -7.437 7.642 1.00 0.00 C ATOM 1482 OG SER A 99 10.396 -7.364 6.502 1.00 0.00 O ATOM 0 H SER A 99 10.219 -7.244 9.917 1.00 0.00 H new ATOM 0 HA SER A 99 12.223 -5.746 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.256 -7.654 7.331 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.913 -8.261 8.280 1.00 0.00 H new ATOM 0 HG SER A 99 10.435 -8.212 6.012 1.00 0.00 H new ATOM 1488 N GLU A 100 9.043 -5.118 8.087 1.00 0.00 N ATOM 1489 CA GLU A 100 8.086 -4.164 7.542 1.00 0.00 C ATOM 1490 C GLU A 100 8.299 -2.800 8.177 1.00 0.00 C ATOM 1491 O GLU A 100 7.984 -1.770 7.585 1.00 0.00 O ATOM 1492 CB GLU A 100 6.660 -4.653 7.776 1.00 0.00 C ATOM 1493 CG GLU A 100 6.530 -6.164 7.721 1.00 0.00 C ATOM 1494 CD GLU A 100 5.266 -6.620 7.019 1.00 0.00 C ATOM 1495 OE1 GLU A 100 4.219 -5.961 7.196 1.00 0.00 O ATOM 1496 OE2 GLU A 100 5.322 -7.637 6.297 1.00 0.00 O ATOM 0 H GLU A 100 8.642 -5.779 8.752 1.00 0.00 H new ATOM 0 HA GLU A 100 8.243 -4.076 6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.317 -4.300 8.749 1.00 0.00 H new ATOM 0 HB3 GLU A 100 6.003 -4.211 7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.396 -6.580 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 100 6.540 -6.562 8.736 1.00 0.00 H new ATOM 1503 N LEU A 101 8.868 -2.807 9.379 1.00 0.00 N ATOM 1504 CA LEU A 101 9.185 -1.575 10.084 1.00 0.00 C ATOM 1505 C LEU A 101 10.412 -0.921 9.462 1.00 0.00 C ATOM 1506 O LEU A 101 10.605 0.292 9.558 1.00 0.00 O ATOM 1507 CB LEU A 101 9.434 -1.865 11.570 1.00 0.00 C ATOM 1508 CG LEU A 101 10.277 -0.825 12.312 1.00 0.00 C ATOM 1509 CD1 LEU A 101 9.392 0.284 12.860 1.00 0.00 C ATOM 1510 CD2 LEU A 101 11.069 -1.481 13.433 1.00 0.00 C ATOM 0 H LEU A 101 9.119 -3.657 9.884 1.00 0.00 H new ATOM 0 HA LEU A 101 8.340 -0.891 9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.470 -1.951 12.072 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.926 -2.834 11.656 1.00 0.00 H new ATOM 0 HG LEU A 101 10.982 -0.385 11.606 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.007 1.015 13.385 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.870 0.773 12.037 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.664 -0.140 13.551 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.662 -0.726 13.949 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.382 -1.948 14.139 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.731 -2.240 13.015 1.00 0.00 H new ATOM 1522 N LEU A 102 11.235 -1.740 8.818 1.00 0.00 N ATOM 1523 CA LEU A 102 12.455 -1.263 8.180 1.00 0.00 C ATOM 1524 C LEU A 102 12.199 -0.869 6.733 1.00 0.00 C ATOM 1525 O LEU A 102 12.639 0.189 6.279 1.00 0.00 O ATOM 1526 CB LEU A 102 13.531 -2.351 8.231 1.00 0.00 C ATOM 1527 CG LEU A 102 14.624 -2.133 9.280 1.00 0.00 C ATOM 1528 CD1 LEU A 102 14.091 -2.421 10.675 1.00 0.00 C ATOM 1529 CD2 LEU A 102 15.833 -3.006 8.978 1.00 0.00 C ATOM 0 H LEU A 102 11.078 -2.743 8.724 1.00 0.00 H new ATOM 0 HA LEU A 102 12.797 -0.382 8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.048 -3.309 8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 102 14.000 -2.423 7.250 1.00 0.00 H new ATOM 0 HG LEU A 102 14.935 -1.089 9.242 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.882 -2.261 11.407 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.256 -1.754 10.891 1.00 0.00 H new ATOM 0 HD13 LEU A 102 13.752 -3.455 10.728 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.601 -2.838 9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.536 -4.055 8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 102 16.230 -2.751 7.995 1.00 0.00 H new ATOM 1541 N HIS A 103 11.504 -1.735 6.007 1.00 0.00 N ATOM 1542 CA HIS A 103 11.216 -1.497 4.604 1.00 0.00 C ATOM 1543 C HIS A 103 10.299 -0.292 4.422 1.00 0.00 C ATOM 1544 O HIS A 103 10.455 0.477 3.474 1.00 0.00 O ATOM 1545 CB HIS A 103 10.581 -2.746 3.996 1.00 0.00 C ATOM 1546 CG HIS A 103 11.204 -3.166 2.699 1.00 0.00 C ATOM 1547 ND1 HIS A 103 11.511 -2.250 1.721 1.00 0.00 N ATOM 1548 CD2 HIS A 103 11.557 -4.404 2.274 1.00 0.00 C ATOM 1549 CE1 HIS A 103 12.038 -2.945 0.728 1.00 0.00 C ATOM 1550 NE2 HIS A 103 12.086 -4.252 1.020 1.00 0.00 N ATOM 0 H HIS A 103 11.129 -2.611 6.371 1.00 0.00 H new ATOM 0 HA HIS A 103 12.152 -1.278 4.091 1.00 0.00 H new ATOM 0 HB2 HIS A 103 10.659 -3.567 4.709 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.519 -2.562 3.836 1.00 0.00 H new ATOM 0 HD2 HIS A 103 11.443 -5.330 2.818 1.00 0.00 H new ATOM 0 HE1 HIS A 103 12.385 -2.515 -0.200 1.00 0.00 H new ATOM 0 HE2 HIS A 103 12.448 -4.994 0.421 1.00 0.00 H new ATOM 1558 N MET A 104 9.347 -0.126 5.336 1.00 0.00 N ATOM 1559 CA MET A 104 8.420 1.000 5.275 1.00 0.00 C ATOM 1560 C MET A 104 9.171 2.323 5.346 1.00 0.00 C ATOM 1561 O MET A 104 8.806 3.289 4.680 1.00 0.00 O ATOM 1562 CB MET A 104 7.417 0.929 6.423 1.00 0.00 C ATOM 1563 CG MET A 104 8.046 1.195 7.772 1.00 0.00 C ATOM 1564 SD MET A 104 6.963 0.767 9.149 1.00 0.00 S ATOM 1565 CE MET A 104 5.365 1.191 8.461 1.00 0.00 C ATOM 0 H MET A 104 9.197 -0.755 6.125 1.00 0.00 H new ATOM 0 HA MET A 104 7.888 0.943 4.325 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.622 1.654 6.249 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.953 -0.057 6.432 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.972 0.625 7.854 1.00 0.00 H new ATOM 0 HG3 MET A 104 8.313 2.249 7.841 1.00 0.00 H new ATOM 0 HE1 MET A 104 4.606 1.136 9.242 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.399 2.204 8.059 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.116 0.492 7.663 1.00 0.00 H new ATOM 1575 N LEU A 105 10.206 2.366 6.182 1.00 0.00 N ATOM 1576 CA LEU A 105 11.003 3.573 6.350 1.00 0.00 C ATOM 1577 C LEU A 105 11.974 3.735 5.195 1.00 0.00 C ATOM 1578 O LEU A 105 12.577 4.795 5.022 1.00 0.00 O ATOM 1579 CB LEU A 105 11.784 3.518 7.664 1.00 0.00 C ATOM 1580 CG LEU A 105 10.941 3.273 8.915 1.00 0.00 C ATOM 1581 CD1 LEU A 105 11.834 3.095 10.133 1.00 0.00 C ATOM 1582 CD2 LEU A 105 9.966 4.417 9.126 1.00 0.00 C ATOM 0 H LEU A 105 10.510 1.577 6.753 1.00 0.00 H new ATOM 0 HA LEU A 105 10.325 4.426 6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.532 2.729 7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.323 4.458 7.787 1.00 0.00 H new ATOM 0 HG LEU A 105 10.369 2.355 8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 105 11.217 2.922 11.014 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.494 2.241 9.979 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.432 3.994 10.280 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.372 4.229 10.021 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.519 5.349 9.247 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.306 4.496 8.262 1.00 0.00 H new ATOM 1594 N GLU A 106 12.132 2.675 4.415 1.00 0.00 N ATOM 1595 CA GLU A 106 13.072 2.690 3.311 1.00 0.00 C ATOM 1596 C GLU A 106 12.365 2.707 1.956 1.00 0.00 C ATOM 1597 O GLU A 106 13.017 2.816 0.917 1.00 0.00 O ATOM 1598 CB GLU A 106 14.009 1.478 3.409 1.00 0.00 C ATOM 1599 CG GLU A 106 13.571 0.285 2.572 1.00 0.00 C ATOM 1600 CD GLU A 106 14.354 -0.972 2.895 1.00 0.00 C ATOM 1601 OE1 GLU A 106 14.351 -1.386 4.075 1.00 0.00 O ATOM 1602 OE2 GLU A 106 14.971 -1.542 1.972 1.00 0.00 O ATOM 0 H GLU A 106 11.622 1.799 4.528 1.00 0.00 H new ATOM 0 HA GLU A 106 13.655 3.608 3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 106 15.009 1.779 3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.079 1.170 4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.510 0.100 2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.692 0.523 1.515 1.00 0.00 H new ATOM 1609 N SER A 107 11.038 2.600 1.962 1.00 0.00 N ATOM 1610 CA SER A 107 10.290 2.586 0.704 1.00 0.00 C ATOM 1611 C SER A 107 8.915 3.237 0.842 1.00 0.00 C ATOM 1612 O SER A 107 8.216 3.032 1.835 1.00 0.00 O ATOM 1613 CB SER A 107 10.136 1.150 0.199 1.00 0.00 C ATOM 1614 OG SER A 107 9.991 1.117 -1.210 1.00 0.00 O ATOM 0 H SER A 107 10.467 2.523 2.804 1.00 0.00 H new ATOM 0 HA SER A 107 10.860 3.171 -0.017 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.007 0.563 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.267 0.688 0.668 1.00 0.00 H new ATOM 0 HG SER A 107 9.896 0.188 -1.507 1.00 0.00 H new ATOM 1620 N PRO A 108 8.499 4.018 -0.176 1.00 0.00 N ATOM 1621 CA PRO A 108 7.195 4.687 -0.187 1.00 0.00 C ATOM 1622 C PRO A 108 6.071 3.741 -0.594 1.00 0.00 C ATOM 1623 O PRO A 108 4.916 4.147 -0.722 1.00 0.00 O ATOM 1624 CB PRO A 108 7.383 5.780 -1.235 1.00 0.00 C ATOM 1625 CG PRO A 108 8.352 5.196 -2.206 1.00 0.00 C ATOM 1626 CD PRO A 108 9.269 4.306 -1.405 1.00 0.00 C ATOM 0 HA PRO A 108 6.909 5.062 0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.440 6.034 -1.718 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.770 6.696 -0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 108 7.834 4.627 -2.978 1.00 0.00 H new ATOM 0 HG3 PRO A 108 8.915 5.980 -2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.513 3.392 -1.947 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.212 4.804 -1.179 1.00 0.00 H new ATOM 1634 N GLU A 109 6.426 2.481 -0.809 1.00 0.00 N ATOM 1635 CA GLU A 109 5.457 1.459 -1.190 1.00 0.00 C ATOM 1636 C GLU A 109 5.482 0.312 -0.195 1.00 0.00 C ATOM 1637 O GLU A 109 4.541 -0.476 -0.120 1.00 0.00 O ATOM 1638 CB GLU A 109 5.764 0.933 -2.592 1.00 0.00 C ATOM 1639 CG GLU A 109 5.687 1.996 -3.674 1.00 0.00 C ATOM 1640 CD GLU A 109 6.548 1.665 -4.877 1.00 0.00 C ATOM 1641 OE1 GLU A 109 7.786 1.606 -4.723 1.00 0.00 O ATOM 1642 OE2 GLU A 109 5.983 1.463 -5.973 1.00 0.00 O ATOM 0 H GLU A 109 7.384 2.140 -0.726 1.00 0.00 H new ATOM 0 HA GLU A 109 4.464 1.908 -1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.762 0.495 -2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.064 0.132 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.651 2.110 -3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.000 2.954 -3.260 1.00 0.00 H new ATOM 1649 N SER A 110 6.567 0.217 0.565 1.00 0.00 N ATOM 1650 CA SER A 110 6.684 -0.811 1.584 1.00 0.00 C ATOM 1651 C SER A 110 5.767 -0.485 2.745 1.00 0.00 C ATOM 1652 O SER A 110 4.957 -1.306 3.153 1.00 0.00 O ATOM 1653 CB SER A 110 8.123 -0.933 2.072 1.00 0.00 C ATOM 1654 OG SER A 110 8.762 -2.056 1.491 1.00 0.00 O ATOM 0 H SER A 110 7.373 0.838 0.493 1.00 0.00 H new ATOM 0 HA SER A 110 6.392 -1.766 1.148 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.674 -0.026 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 110 8.136 -1.024 3.158 1.00 0.00 H new ATOM 0 HG SER A 110 9.708 -1.851 1.337 1.00 0.00 H new ATOM 1660 N LEU A 111 5.864 0.739 3.236 1.00 0.00 N ATOM 1661 CA LEU A 111 5.018 1.182 4.330 1.00 0.00 C ATOM 1662 C LEU A 111 3.556 0.878 4.049 1.00 0.00 C ATOM 1663 O LEU A 111 2.788 0.594 4.964 1.00 0.00 O ATOM 1664 CB LEU A 111 5.187 2.677 4.555 1.00 0.00 C ATOM 1665 CG LEU A 111 4.451 3.212 5.777 1.00 0.00 C ATOM 1666 CD1 LEU A 111 5.326 4.203 6.520 1.00 0.00 C ATOM 1667 CD2 LEU A 111 3.125 3.842 5.373 1.00 0.00 C ATOM 0 H LEU A 111 6.519 1.442 2.895 1.00 0.00 H new ATOM 0 HA LEU A 111 5.322 0.641 5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.249 2.900 4.658 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.834 3.208 3.671 1.00 0.00 H new ATOM 0 HG LEU A 111 4.231 2.381 6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.790 4.579 7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.242 3.709 6.843 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.575 5.034 5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.615 4.218 6.260 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.309 4.666 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.500 3.094 4.885 1.00 0.00 H new ATOM 1679 N ARG A 112 3.176 0.960 2.783 1.00 0.00 N ATOM 1680 CA ARG A 112 1.799 0.716 2.388 1.00 0.00 C ATOM 1681 C ARG A 112 1.544 -0.773 2.162 1.00 0.00 C ATOM 1682 O ARG A 112 0.691 -1.364 2.815 1.00 0.00 O ATOM 1683 CB ARG A 112 1.462 1.513 1.127 1.00 0.00 C ATOM 1684 CG ARG A 112 0.446 0.832 0.231 1.00 0.00 C ATOM 1685 CD ARG A 112 -0.200 1.811 -0.732 1.00 0.00 C ATOM 1686 NE ARG A 112 -1.406 2.422 -0.181 1.00 0.00 N ATOM 1687 CZ ARG A 112 -2.637 2.100 -0.570 1.00 0.00 C ATOM 1688 NH1 ARG A 112 -2.821 1.171 -1.498 1.00 0.00 N ATOM 1689 NH2 ARG A 112 -3.686 2.704 -0.029 1.00 0.00 N ATOM 0 H ARG A 112 3.802 1.194 2.013 1.00 0.00 H new ATOM 0 HA ARG A 112 1.150 1.047 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.080 2.492 1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 112 2.377 1.684 0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.933 0.036 -0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -0.324 0.364 0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.516 2.593 -0.986 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.449 1.294 -1.659 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.299 3.134 0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -2.018 0.701 -1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -3.766 0.926 -1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.550 3.417 0.687 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -4.629 2.455 -0.329 1.00 0.00 H new ATOM 1703 N SER A 113 2.276 -1.364 1.223 1.00 0.00 N ATOM 1704 CA SER A 113 2.117 -2.779 0.904 1.00 0.00 C ATOM 1705 C SER A 113 2.246 -3.640 2.156 1.00 0.00 C ATOM 1706 O SER A 113 1.568 -4.658 2.295 1.00 0.00 O ATOM 1707 CB SER A 113 3.157 -3.210 -0.131 1.00 0.00 C ATOM 1708 OG SER A 113 2.718 -2.919 -1.446 1.00 0.00 O ATOM 0 H SER A 113 2.986 -0.885 0.669 1.00 0.00 H new ATOM 0 HA SER A 113 1.119 -2.920 0.489 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.100 -2.699 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.348 -4.279 -0.036 1.00 0.00 H new ATOM 0 HG SER A 113 3.401 -3.202 -2.089 1.00 0.00 H new ATOM 1714 N LYS A 114 3.128 -3.228 3.059 1.00 0.00 N ATOM 1715 CA LYS A 114 3.339 -3.947 4.309 1.00 0.00 C ATOM 1716 C LYS A 114 2.236 -3.623 5.304 1.00 0.00 C ATOM 1717 O LYS A 114 1.913 -4.439 6.165 1.00 0.00 O ATOM 1718 CB LYS A 114 4.702 -3.604 4.912 1.00 0.00 C ATOM 1719 CG LYS A 114 5.869 -3.930 3.996 1.00 0.00 C ATOM 1720 CD LYS A 114 6.213 -5.409 4.036 1.00 0.00 C ATOM 1721 CE LYS A 114 7.338 -5.745 3.072 1.00 0.00 C ATOM 1722 NZ LYS A 114 8.346 -6.650 3.688 1.00 0.00 N ATOM 0 H LYS A 114 3.710 -2.398 2.948 1.00 0.00 H new ATOM 0 HA LYS A 114 3.315 -5.014 4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.726 -2.542 5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 114 4.823 -4.147 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 114 5.623 -3.640 2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.740 -3.345 4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.504 -5.689 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.330 -5.996 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.924 -6.216 2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 114 7.826 -4.825 2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 9.096 -6.855 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 8.760 -6.190 4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.887 -7.538 3.974 1.00 0.00 H new ATOM 1736 N VAL A 115 1.667 -2.425 5.190 1.00 0.00 N ATOM 1737 CA VAL A 115 0.573 -2.027 6.074 1.00 0.00 C ATOM 1738 C VAL A 115 -0.687 -2.814 5.714 1.00 0.00 C ATOM 1739 O VAL A 115 -1.292 -3.453 6.572 1.00 0.00 O ATOM 1740 CB VAL A 115 0.301 -0.499 6.026 1.00 0.00 C ATOM 1741 CG1 VAL A 115 -1.185 -0.194 5.895 1.00 0.00 C ATOM 1742 CG2 VAL A 115 0.861 0.177 7.268 1.00 0.00 C ATOM 0 H VAL A 115 1.940 -1.721 4.504 1.00 0.00 H new ATOM 0 HA VAL A 115 0.868 -2.258 7.098 1.00 0.00 H new ATOM 0 HB VAL A 115 0.803 -0.105 5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.334 0.885 5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.568 -0.639 4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.719 -0.610 6.750 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.663 1.248 7.220 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.385 -0.241 8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 115 1.937 0.009 7.320 1.00 0.00 H new ATOM 1752 N ASP A 116 -1.033 -2.812 4.427 1.00 0.00 N ATOM 1753 CA ASP A 116 -2.187 -3.557 3.938 1.00 0.00 C ATOM 1754 C ASP A 116 -2.030 -5.041 4.243 1.00 0.00 C ATOM 1755 O ASP A 116 -2.994 -5.718 4.601 1.00 0.00 O ATOM 1756 CB ASP A 116 -2.356 -3.334 2.430 1.00 0.00 C ATOM 1757 CG ASP A 116 -2.603 -4.623 1.666 1.00 0.00 C ATOM 1758 OD1 ASP A 116 -3.781 -5.015 1.529 1.00 0.00 O ATOM 1759 OD2 ASP A 116 -1.618 -5.235 1.203 1.00 0.00 O ATOM 0 H ASP A 116 -0.527 -2.300 3.704 1.00 0.00 H new ATOM 0 HA ASP A 116 -3.080 -3.195 4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -3.189 -2.651 2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.462 -2.850 2.037 1.00 0.00 H new ATOM 1764 N GLU A 117 -0.805 -5.539 4.104 1.00 0.00 N ATOM 1765 CA GLU A 117 -0.516 -6.932 4.410 1.00 0.00 C ATOM 1766 C GLU A 117 -0.551 -7.141 5.914 1.00 0.00 C ATOM 1767 O GLU A 117 -0.965 -8.196 6.398 1.00 0.00 O ATOM 1768 CB GLU A 117 0.852 -7.334 3.854 1.00 0.00 C ATOM 1769 CG GLU A 117 0.811 -7.778 2.400 1.00 0.00 C ATOM 1770 CD GLU A 117 1.472 -9.125 2.185 1.00 0.00 C ATOM 1771 OE1 GLU A 117 2.709 -9.160 2.019 1.00 0.00 O ATOM 1772 OE2 GLU A 117 0.752 -10.146 2.183 1.00 0.00 O ATOM 0 H GLU A 117 -0.001 -5.000 3.783 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.273 -7.560 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 117 1.536 -6.490 3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 117 1.258 -8.143 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.226 -7.829 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 117 1.307 -7.031 1.781 1.00 0.00 H new ATOM 1779 N ALA A 118 -0.142 -6.113 6.652 1.00 0.00 N ATOM 1780 CA ALA A 118 -0.183 -6.164 8.103 1.00 0.00 C ATOM 1781 C ALA A 118 -1.623 -6.241 8.570 1.00 0.00 C ATOM 1782 O ALA A 118 -1.915 -6.835 9.601 1.00 0.00 O ATOM 1783 CB ALA A 118 0.516 -4.966 8.718 1.00 0.00 C ATOM 0 H ALA A 118 0.219 -5.240 6.268 1.00 0.00 H new ATOM 0 HA ALA A 118 0.349 -7.057 8.432 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.467 -5.035 9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.559 -4.951 8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.025 -4.050 8.390 1.00 0.00 H new ATOM 1789 N VAL A 119 -2.524 -5.652 7.787 1.00 0.00 N ATOM 1790 CA VAL A 119 -3.943 -5.711 8.091 1.00 0.00 C ATOM 1791 C VAL A 119 -4.381 -7.151 8.197 1.00 0.00 C ATOM 1792 O VAL A 119 -4.957 -7.564 9.197 1.00 0.00 O ATOM 1793 CB VAL A 119 -4.793 -5.030 7.021 1.00 0.00 C ATOM 1794 CG1 VAL A 119 -6.238 -4.953 7.482 1.00 0.00 C ATOM 1795 CG2 VAL A 119 -4.243 -3.654 6.705 1.00 0.00 C ATOM 0 H VAL A 119 -2.293 -5.131 6.941 1.00 0.00 H new ATOM 0 HA VAL A 119 -4.089 -5.185 9.035 1.00 0.00 H new ATOM 0 HB VAL A 119 -4.756 -5.620 6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -6.839 -4.466 6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -6.618 -5.959 7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -6.295 -4.378 8.406 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -4.860 -3.182 5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -4.252 -3.042 7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -3.220 -3.746 6.340 1.00 0.00 H new ATOM 1805 N ALA A 120 -4.078 -7.910 7.155 1.00 0.00 N ATOM 1806 CA ALA A 120 -4.396 -9.322 7.117 1.00 0.00 C ATOM 1807 C ALA A 120 -3.844 -10.022 8.350 1.00 0.00 C ATOM 1808 O ALA A 120 -4.362 -11.049 8.786 1.00 0.00 O ATOM 1809 CB ALA A 120 -3.827 -9.933 5.854 1.00 0.00 C ATOM 0 H ALA A 120 -3.608 -7.564 6.319 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.479 -9.448 7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.066 -10.996 5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.260 -9.439 4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -2.745 -9.804 5.843 1.00 0.00 H new ATOM 1815 N VAL A 121 -2.795 -9.437 8.913 1.00 0.00 N ATOM 1816 CA VAL A 121 -2.165 -9.961 10.111 1.00 0.00 C ATOM 1817 C VAL A 121 -2.861 -9.421 11.359 1.00 0.00 C ATOM 1818 O VAL A 121 -2.962 -10.108 12.379 1.00 0.00 O ATOM 1819 CB VAL A 121 -0.668 -9.585 10.129 1.00 0.00 C ATOM 1820 CG1 VAL A 121 -0.100 -9.630 11.537 1.00 0.00 C ATOM 1821 CG2 VAL A 121 0.115 -10.499 9.199 1.00 0.00 C ATOM 0 H VAL A 121 -2.360 -8.588 8.551 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.256 -11.047 10.107 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.573 -8.559 9.772 1.00 0.00 H new ATOM 0 HG11 VAL A 121 0.956 -9.360 11.512 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -0.640 -8.926 12.170 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.207 -10.637 11.941 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.169 -10.223 9.221 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.003 -11.533 9.526 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.266 -10.397 8.183 1.00 0.00 H new ATOM 1831 N LEU A 122 -3.360 -8.194 11.259 1.00 0.00 N ATOM 1832 CA LEU A 122 -4.067 -7.558 12.361 1.00 0.00 C ATOM 1833 C LEU A 122 -5.414 -8.232 12.576 1.00 0.00 C ATOM 1834 O LEU A 122 -5.848 -8.429 13.707 1.00 0.00 O ATOM 1835 CB LEU A 122 -4.244 -6.060 12.083 1.00 0.00 C ATOM 1836 CG LEU A 122 -5.693 -5.564 12.020 1.00 0.00 C ATOM 1837 CD1 LEU A 122 -6.065 -4.849 13.308 1.00 0.00 C ATOM 1838 CD2 LEU A 122 -5.893 -4.651 10.824 1.00 0.00 C ATOM 0 H LEU A 122 -3.286 -7.618 10.420 1.00 0.00 H new ATOM 0 HA LEU A 122 -3.478 -7.669 13.272 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.721 -5.501 12.859 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.757 -5.824 11.137 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.349 -6.427 11.904 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -7.097 -4.503 13.247 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -5.961 -5.536 14.148 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -5.404 -3.995 13.454 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -6.928 -4.309 10.796 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.229 -3.791 10.908 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -5.666 -5.197 9.908 1.00 0.00 H new ATOM 1850 N GLN A 123 -6.067 -8.582 11.474 1.00 0.00 N ATOM 1851 CA GLN A 123 -7.346 -9.272 11.526 1.00 0.00 C ATOM 1852 C GLN A 123 -7.132 -10.714 11.957 1.00 0.00 C ATOM 1853 O GLN A 123 -8.007 -11.342 12.555 1.00 0.00 O ATOM 1854 CB GLN A 123 -8.024 -9.222 10.155 1.00 0.00 C ATOM 1855 CG GLN A 123 -7.084 -9.475 8.991 1.00 0.00 C ATOM 1856 CD GLN A 123 -7.497 -10.670 8.154 1.00 0.00 C ATOM 1857 OE1 GLN A 123 -7.227 -11.815 8.512 1.00 0.00 O ATOM 1858 NE2 GLN A 123 -8.157 -10.406 7.033 1.00 0.00 N ATOM 0 H GLN A 123 -5.728 -8.397 10.530 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.992 -8.778 12.252 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -8.824 -9.962 10.130 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.489 -8.245 10.027 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -7.049 -8.588 8.358 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -6.075 -9.635 9.372 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.359 -9.440 6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -8.462 -11.169 6.429 1.00 0.00 H new ATOM 1867 N ALA A 124 -5.941 -11.214 11.663 1.00 0.00 N ATOM 1868 CA ALA A 124 -5.562 -12.578 12.013 1.00 0.00 C ATOM 1869 C ALA A 124 -4.950 -12.647 13.402 1.00 0.00 C ATOM 1870 O ALA A 124 -4.541 -13.717 13.853 1.00 0.00 O ATOM 1871 CB ALA A 124 -4.582 -13.125 10.992 1.00 0.00 C ATOM 0 H ALA A 124 -5.212 -10.690 11.178 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.467 -13.185 12.012 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.305 -14.144 11.263 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.046 -13.125 10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.689 -12.500 10.973 1.00 0.00 H new