USER MOD reduce.3.24.130724 H: found=0, std=0, add=126, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 132 hydrogens (61 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 Single : A 8 LYS NZ :NH3+ 158:sc= -0.122 (180deg=-0.773) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 A2G O3 : rot 95:sc= 0.0593 USER MOD Single : A 101 A2G O4 : rot 88:sc= 0.0536 USER MOD Single : A 101 A2G O6 : rot 180:sc= 0 USER MOD Single : A 102 A2G O3 : rot 85:sc= 0.0571 USER MOD Single : A 102 A2G O4 : rot 83:sc= 0.0628 USER MOD Single : A 102 A2G O6 : rot 180:sc=-0.00944 USER MOD Single : A 103 A2G O3 : rot 88:sc= 0.064 USER MOD Single : A 103 A2G O4 : rot 87:sc= 0.0542 USER MOD Single : A 103 A2G O6 : rot 180:sc= -0.0628 USER MOD Single : A 104 A2G O3 : rot 97:sc= 0.053 USER MOD Single : A 104 A2G O4 : rot 88:sc= 0.0564 USER MOD Single : A 104 A2G O6 : rot 180:sc= -0.0422 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 1.384 -23.988 4.291 1.00 0.00 C HETATM 2 O ACE A 1 1.282 -22.763 4.357 1.00 0.00 O HETATM 3 CH3 ACE A 1 2.179 -24.649 3.170 1.00 0.00 C HETATM 0 H1 ACE A 1 2.993 -25.235 3.598 1.00 0.00 H new HETATM 0 H2 ACE A 1 1.523 -25.303 2.596 1.00 0.00 H new HETATM 0 H3 ACE A 1 2.590 -23.882 2.514 1.00 0.00 H new ATOM 7 N PRO A 2 0.825 -24.779 5.167 1.00 0.00 N ATOM 8 CA PRO A 2 0.019 -24.279 6.313 1.00 0.00 C ATOM 9 C PRO A 2 0.691 -23.099 7.012 1.00 0.00 C ATOM 10 O PRO A 2 0.086 -22.042 7.190 1.00 0.00 O ATOM 11 CB PRO A 2 -0.089 -25.484 7.261 1.00 0.00 C ATOM 12 CG PRO A 2 0.661 -26.616 6.619 1.00 0.00 C ATOM 13 CD PRO A 2 0.899 -26.239 5.159 1.00 0.00 C ATOM 0 HA PRO A 2 -0.953 -23.908 5.989 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.334 -25.246 8.237 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.132 -25.755 7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.608 -26.787 7.130 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.090 -27.542 6.688 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.869 -26.590 4.807 1.00 0.00 H new ATOM 0 HD3 PRO A 2 0.145 -26.676 4.504 1.00 0.00 H new ATOM 21 N PRO A 3 1.923 -23.267 7.406 1.00 0.00 N ATOM 22 CA PRO A 3 2.702 -22.211 8.107 1.00 0.00 C ATOM 23 C PRO A 3 2.534 -20.845 7.447 1.00 0.00 C ATOM 24 O PRO A 3 2.046 -20.744 6.322 1.00 0.00 O ATOM 25 CB PRO A 3 4.161 -22.685 8.016 1.00 0.00 C ATOM 26 CG PRO A 3 4.155 -23.984 7.265 1.00 0.00 C ATOM 27 CD PRO A 3 2.712 -24.484 7.225 1.00 0.00 C ATOM 0 HA PRO A 3 2.365 -22.079 9.135 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.775 -21.946 7.502 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.586 -22.817 9.011 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.541 -23.845 6.255 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.800 -24.713 7.755 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.483 -24.973 6.278 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.517 -25.210 8.014 1.00 0.00 H new ATOM 35 N THR A 4 2.941 -19.796 8.156 1.00 0.00 N ATOM 36 CA THR A 4 2.830 -18.440 7.630 1.00 0.00 C ATOM 37 C THR A 4 4.017 -17.593 8.077 1.00 0.00 C ATOM 38 O THR A 4 4.764 -17.980 8.976 1.00 0.00 O ATOM 39 CB THR A 4 1.530 -17.797 8.115 1.00 0.00 C ATOM 40 OG1 THR A 4 1.546 -17.756 9.526 1.00 0.00 O ATOM 41 CG2 THR A 4 0.335 -18.635 7.660 1.00 0.00 C ATOM 0 H THR A 4 3.348 -19.858 9.089 1.00 0.00 H new ATOM 0 HA THR A 4 2.825 -18.492 6.541 1.00 0.00 H new ATOM 0 HB THR A 4 1.445 -16.791 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.588 -18.172 8.009 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.324 -18.692 6.572 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.416 -19.640 8.075 1.00 0.00 H new ATOM 48 N THR A 5 4.185 -16.438 7.443 1.00 0.00 N ATOM 49 CA THR A 5 5.286 -15.543 7.783 1.00 0.00 C ATOM 50 C THR A 5 4.790 -14.106 7.904 1.00 0.00 C ATOM 51 O THR A 5 3.894 -13.685 7.172 1.00 0.00 O ATOM 52 CB THR A 5 6.374 -15.623 6.711 1.00 0.00 C ATOM 53 OG1 THR A 5 5.856 -15.108 5.504 1.00 0.00 O ATOM 54 CG2 THR A 5 6.781 -17.081 6.493 1.00 0.00 C ATOM 0 H THR A 5 3.578 -16.101 6.696 1.00 0.00 H new ATOM 0 HA THR A 5 5.700 -15.854 8.742 1.00 0.00 H new ATOM 0 HB THR A 5 7.244 -15.049 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.556 -17.132 5.728 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.164 -17.495 7.426 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.914 -17.656 6.169 1.00 0.00 H new ATOM 61 N THR A 6 5.380 -13.357 8.830 1.00 0.00 N ATOM 62 CA THR A 6 4.990 -11.968 9.036 1.00 0.00 C ATOM 63 C THR A 6 6.030 -11.024 8.437 1.00 0.00 C ATOM 64 O THR A 6 7.199 -11.384 8.296 1.00 0.00 O ATOM 65 CB THR A 6 4.843 -11.683 10.532 1.00 0.00 C ATOM 66 OG1 THR A 6 6.115 -11.777 11.136 1.00 0.00 O ATOM 67 CG2 THR A 6 3.915 -12.718 11.168 1.00 0.00 C ATOM 0 H THR A 6 6.124 -13.686 9.445 1.00 0.00 H new ATOM 0 HA THR A 6 4.035 -11.802 8.538 1.00 0.00 H new ATOM 0 HB THR A 6 4.425 -10.687 10.675 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.814 -12.510 12.233 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.935 -12.668 10.694 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.334 -13.715 11.031 1.00 0.00 H new ATOM 74 N THR A 7 5.595 -9.820 8.086 1.00 0.00 N ATOM 75 CA THR A 7 6.497 -8.833 7.502 1.00 0.00 C ATOM 76 C THR A 7 6.928 -7.814 8.552 1.00 0.00 C ATOM 77 O THR A 7 6.142 -7.429 9.418 1.00 0.00 O ATOM 78 CB THR A 7 5.805 -8.112 6.343 1.00 0.00 C ATOM 79 OG1 THR A 7 4.650 -7.470 6.837 1.00 0.00 O ATOM 80 CG2 THR A 7 5.388 -9.126 5.277 1.00 0.00 C ATOM 0 H THR A 7 4.631 -9.504 8.194 1.00 0.00 H new ATOM 0 HA THR A 7 7.381 -9.352 7.130 1.00 0.00 H new ATOM 0 HB THR A 7 6.489 -7.386 5.904 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.896 -8.607 4.454 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.271 -9.644 4.903 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.700 -9.850 5.713 1.00 0.00 H new ATOM 87 N LYS A 8 8.182 -7.381 8.470 1.00 0.00 N ATOM 88 CA LYS A 8 8.707 -6.406 9.418 1.00 0.00 C ATOM 89 C LYS A 8 8.278 -4.995 9.030 1.00 0.00 C ATOM 90 O LYS A 8 8.151 -4.678 7.847 1.00 0.00 O ATOM 91 CB LYS A 8 10.235 -6.484 9.457 1.00 0.00 C ATOM 92 CG LYS A 8 10.792 -5.253 10.175 1.00 0.00 C ATOM 93 CD LYS A 8 12.169 -5.581 10.757 1.00 0.00 C ATOM 94 CE LYS A 8 12.785 -4.315 11.354 1.00 0.00 C ATOM 95 NZ LYS A 8 11.791 -3.649 12.241 1.00 0.00 N ATOM 0 H LYS A 8 8.849 -7.688 7.762 1.00 0.00 H new ATOM 0 HA LYS A 8 8.306 -6.637 10.405 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.550 -7.392 9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.633 -6.538 8.444 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.869 -4.417 9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.113 -4.945 10.970 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.078 -6.350 11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.818 -5.982 9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.682 -4.566 11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.090 -3.636 10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.287 -3.034 12.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.141 -3.077 11.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.251 -4.370 12.760 1.00 0.00 H new ATOM 109 N LYS A 9 8.056 -4.152 10.034 1.00 0.00 N ATOM 110 CA LYS A 9 7.641 -2.777 9.784 1.00 0.00 C ATOM 111 C LYS A 9 8.724 -2.018 9.025 1.00 0.00 C ATOM 112 O LYS A 9 9.913 -2.308 9.163 1.00 0.00 O ATOM 113 CB LYS A 9 7.354 -2.069 11.111 1.00 0.00 C ATOM 114 CG LYS A 9 6.045 -2.597 11.700 1.00 0.00 C ATOM 115 CD LYS A 9 4.960 -1.524 11.578 1.00 0.00 C ATOM 116 CE LYS A 9 3.661 -2.038 12.200 1.00 0.00 C ATOM 117 NZ LYS A 9 3.157 -1.046 13.191 1.00 0.00 N ATOM 0 H LYS A 9 8.156 -4.394 11.020 1.00 0.00 H new ATOM 0 HA LYS A 9 6.735 -2.796 9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.173 -2.238 11.810 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.286 -0.993 10.954 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.737 -3.502 11.176 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.188 -2.868 12.746 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.279 -0.610 12.080 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.799 -1.272 10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.914 -2.203 11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.833 -2.998 12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.274 -1.396 13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.868 -0.909 13.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.977 -0.139 12.714 1.00 0.00 H new ATOM 131 N PRO A 10 8.332 -1.061 8.232 1.00 0.00 N ATOM 132 CA PRO A 10 9.273 -0.240 7.423 1.00 0.00 C ATOM 133 C PRO A 10 10.488 0.204 8.236 1.00 0.00 C ATOM 134 O PRO A 10 10.394 0.371 9.451 1.00 0.00 O ATOM 135 CB PRO A 10 8.442 0.974 6.979 1.00 0.00 C ATOM 136 CG PRO A 10 7.066 0.798 7.554 1.00 0.00 C ATOM 137 CD PRO A 10 6.945 -0.652 8.018 1.00 0.00 C ATOM 0 HA PRO A 10 9.677 -0.805 6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.893 1.901 7.334 1.00 0.00 H new ATOM 0 HB3 PRO A 10 8.401 1.036 5.892 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.909 1.482 8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.306 1.026 6.807 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.358 -0.733 8.933 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.455 -1.273 7.268 1.00 0.00 H new HETATM 145 N NH2 A 11 11.627 0.404 7.632 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 0.393 -15.750 9.831 1.00 0.00 O HETATM 150 C1 A2G A 101 1.606 -16.439 10.028 1.00 0.00 C HETATM 151 C2 A2G A 101 1.875 -16.512 11.532 1.00 0.00 C HETATM 152 N2 A2G A 101 3.131 -17.210 11.783 1.00 0.00 N HETATM 153 C3 A2G A 101 0.720 -17.244 12.216 1.00 0.00 C HETATM 154 O3 A2G A 101 0.896 -17.191 13.625 1.00 0.00 O HETATM 155 C4 A2G A 101 -0.606 -16.574 11.843 1.00 0.00 C HETATM 156 O4 A2G A 101 -0.655 -15.275 12.414 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.720 -16.464 10.320 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.993 -15.699 9.954 1.00 0.00 C HETATM 159 O6 A2G A 101 -3.123 -16.379 10.479 1.00 0.00 O HETATM 160 C7 A2G A 101 4.134 -16.614 12.418 1.00 0.00 C HETATM 161 O7 A2G A 101 4.073 -15.454 12.828 1.00 0.00 O HETATM 162 C8 A2G A 101 5.380 -17.461 12.654 1.00 0.00 C HETATM 0 HO4 A2G A 101 -0.251 -14.631 11.796 1.00 0.00 H new HETATM 0 HO3 A2G A 101 0.393 -16.433 13.989 1.00 0.00 H new HETATM 0 HN2 A2G A 101 3.241 -18.173 11.465 1.00 0.00 H new HETATM 0 H8B A2G A 101 5.119 -18.332 13.255 1.00 0.00 H new HETATM 0 H8A A2G A 101 5.784 -17.789 11.696 1.00 0.00 H new HETATM 0 H8 A2G A 101 6.129 -16.868 13.179 1.00 0.00 H new HETATM 0 H6 A2G A 101 -2.079 -15.612 8.871 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.754 -17.462 9.884 1.00 0.00 H new HETATM 0 H4 A2G A 101 -1.432 -17.174 12.224 1.00 0.00 H new HETATM 0 H3 A2G A 101 0.705 -18.283 11.888 1.00 0.00 H new HETATM 0 H2 A2G A 101 1.953 -15.503 11.936 1.00 0.00 H new HETATM 0 H15 A2G A 101 -3.938 -15.888 10.246 1.00 0.00 H new HETATM 0 H14 A2G A 101 -1.948 -14.685 10.353 1.00 0.00 H new HETATM 177 O A2G A 102 7.845 -14.095 4.823 1.00 0.00 O HETATM 178 C1 A2G A 102 6.480 -13.904 5.119 1.00 0.00 C HETATM 179 C2 A2G A 102 5.785 -13.387 3.858 1.00 0.00 C HETATM 180 N2 A2G A 102 4.368 -13.168 4.120 1.00 0.00 N HETATM 181 C3 A2G A 102 5.960 -14.410 2.734 1.00 0.00 C HETATM 182 O3 A2G A 102 5.432 -13.881 1.526 1.00 0.00 O HETATM 183 C4 A2G A 102 7.450 -14.713 2.548 1.00 0.00 C HETATM 184 O4 A2G A 102 8.113 -13.553 2.070 1.00 0.00 O HETATM 185 C5 A2G A 102 8.055 -15.131 3.890 1.00 0.00 C HETATM 186 C6 A2G A 102 9.561 -15.351 3.730 1.00 0.00 C HETATM 187 O6 A2G A 102 9.793 -16.325 2.722 1.00 0.00 O HETATM 188 C7 A2G A 102 3.824 -11.962 3.992 1.00 0.00 C HETATM 189 O7 A2G A 102 4.466 -10.970 3.651 1.00 0.00 O HETATM 190 C8 A2G A 102 2.340 -11.854 4.330 1.00 0.00 C HETATM 0 HO4 A2G A 102 8.332 -12.967 2.824 1.00 0.00 H new HETATM 0 HO3 A2G A 102 6.113 -13.333 1.083 1.00 0.00 H new HETATM 0 HN2 A2G A 102 3.784 -13.954 4.406 1.00 0.00 H new HETATM 0 H8B A2G A 102 1.769 -12.512 3.676 1.00 0.00 H new HETATM 0 H8A A2G A 102 2.181 -12.147 5.368 1.00 0.00 H new HETATM 0 H8 A2G A 102 2.009 -10.825 4.189 1.00 0.00 H new HETATM 0 H6 A2G A 102 9.994 -15.680 4.675 1.00 0.00 H new HETATM 0 H5 A2G A 102 7.586 -16.054 4.231 1.00 0.00 H new HETATM 0 H4 A2G A 102 7.570 -15.522 1.827 1.00 0.00 H new HETATM 0 H3 A2G A 102 5.431 -15.327 2.992 1.00 0.00 H new HETATM 0 H2 A2G A 102 6.232 -12.439 3.560 1.00 0.00 H new HETATM 0 H15 A2G A 102 10.757 -16.465 2.618 1.00 0.00 H new HETATM 0 H14 A2G A 102 10.050 -14.414 3.464 1.00 0.00 H new HETATM 205 O A2G A 103 5.868 -9.967 12.590 1.00 0.00 O HETATM 206 C1 A2G A 103 6.619 -10.522 11.532 1.00 0.00 C HETATM 207 C2 A2G A 103 8.057 -10.714 12.016 1.00 0.00 C HETATM 208 N2 A2G A 103 8.874 -11.281 10.949 1.00 0.00 N HETATM 209 C3 A2G A 103 8.057 -11.645 13.231 1.00 0.00 C HETATM 210 O3 A2G A 103 9.370 -11.727 13.764 1.00 0.00 O HETATM 211 C4 A2G A 103 7.107 -11.095 14.295 1.00 0.00 C HETATM 212 O4 A2G A 103 7.618 -9.869 14.798 1.00 0.00 O HETATM 213 C5 A2G A 103 5.729 -10.856 13.676 1.00 0.00 C HETATM 214 C6 A2G A 103 4.799 -10.224 14.712 1.00 0.00 C HETATM 215 O6 A2G A 103 5.271 -10.522 16.018 1.00 0.00 O HETATM 216 C7 A2G A 103 9.936 -10.634 10.480 1.00 0.00 C HETATM 217 O7 A2G A 103 10.295 -9.537 10.906 1.00 0.00 O HETATM 218 C8 A2G A 103 10.715 -11.334 9.371 1.00 0.00 C HETATM 0 HO4 A2G A 103 7.307 -9.129 14.235 1.00 0.00 H new HETATM 0 HO3 A2G A 103 9.502 -11.010 14.419 1.00 0.00 H new HETATM 0 HN2 A2G A 103 8.626 -12.189 10.556 1.00 0.00 H new HETATM 0 H8B A2G A 103 11.084 -12.293 9.735 1.00 0.00 H new HETATM 0 H8A A2G A 103 10.061 -11.498 8.515 1.00 0.00 H new HETATM 0 H8 A2G A 103 11.558 -10.712 9.070 1.00 0.00 H new HETATM 0 H6 A2G A 103 3.785 -10.603 14.585 1.00 0.00 H new HETATM 0 H5 A2G A 103 5.310 -11.805 13.342 1.00 0.00 H new HETATM 0 H4 A2G A 103 7.020 -11.814 15.109 1.00 0.00 H new HETATM 0 H3 A2G A 103 7.726 -12.638 12.928 1.00 0.00 H new HETATM 0 H2 A2G A 103 8.478 -9.749 12.298 1.00 0.00 H new HETATM 0 H15 A2G A 103 4.676 -10.115 16.682 1.00 0.00 H new HETATM 0 H14 A2G A 103 4.756 -9.145 14.567 1.00 0.00 H new HETATM 233 O A2G A 104 4.843 -5.504 5.594 1.00 0.00 O HETATM 234 C1 A2G A 104 4.790 -6.068 6.886 1.00 0.00 C HETATM 235 C2 A2G A 104 3.574 -5.491 7.611 1.00 0.00 C HETATM 236 N2 A2G A 104 3.483 -6.042 8.957 1.00 0.00 N HETATM 237 C3 A2G A 104 2.310 -5.827 6.817 1.00 0.00 C HETATM 238 O3 A2G A 104 1.191 -5.185 7.413 1.00 0.00 O HETATM 239 C4 A2G A 104 2.468 -5.341 5.376 1.00 0.00 C HETATM 240 O4 A2G A 104 2.522 -3.922 5.357 1.00 0.00 O HETATM 241 C5 A2G A 104 3.761 -5.908 4.785 1.00 0.00 C HETATM 242 C6 A2G A 104 3.971 -5.355 3.375 1.00 0.00 C HETATM 243 O6 A2G A 104 2.731 -5.348 2.680 1.00 0.00 O HETATM 244 C7 A2G A 104 3.521 -5.254 10.027 1.00 0.00 C HETATM 245 O7 A2G A 104 3.633 -4.031 9.955 1.00 0.00 O HETATM 246 C8 A2G A 104 3.457 -5.953 11.381 1.00 0.00 C HETATM 0 HO4 A2G A 104 3.450 -3.628 5.470 1.00 0.00 H new HETATM 0 HO3 A2G A 104 1.001 -4.350 6.937 1.00 0.00 H new HETATM 0 HN2 A2G A 104 3.388 -7.050 9.080 1.00 0.00 H new HETATM 0 H8B A2G A 104 2.527 -6.516 11.456 1.00 0.00 H new HETATM 0 H8A A2G A 104 4.303 -6.634 11.479 1.00 0.00 H new HETATM 0 H8 A2G A 104 3.496 -5.209 12.177 1.00 0.00 H new HETATM 0 H6 A2G A 104 4.698 -5.965 2.838 1.00 0.00 H new HETATM 0 H5 A2G A 104 3.697 -6.995 4.745 1.00 0.00 H new HETATM 0 H4 A2G A 104 1.618 -5.680 4.784 1.00 0.00 H new HETATM 0 H3 A2G A 104 2.155 -6.906 6.822 1.00 0.00 H new HETATM 0 H2 A2G A 104 3.677 -4.409 7.688 1.00 0.00 H new HETATM 0 H15 A2G A 104 2.864 -4.992 1.777 1.00 0.00 H new HETATM 0 H14 A2G A 104 4.378 -4.345 3.426 1.00 0.00 H new