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+ -153:sc=-0.00825 (180deg=-0.496) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 A2G O3 : rot 87:sc= 0.0649 USER MOD Single : A 101 A2G O4 : rot 87:sc= 0.0835 USER MOD Single : A 101 A2G O6 : rot 180:sc= -0.013 USER MOD Single : A 102 A2G O3 : rot 90:sc= 0.0539 USER MOD Single : A 102 A2G O4 : rot -172:sc= 0.745 USER MOD Single : A 102 A2G O6 : rot 180:sc= 0.545 USER MOD Single : A 103 A2G O3 : rot 97:sc= 0.0577 USER MOD Single : A 103 A2G O4 : rot 83:sc= 0.0627 USER MOD Single : A 103 A2G O6 : rot 180:sc= -0.091 USER MOD Single : A 104 A2G O3 : rot 100:sc= 0.0498 USER MOD Single : A 104 A2G O4 : rot 91:sc= 0.0556 USER MOD Single : A 104 A2G O6 : rot 180:sc= -0.0445 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 -1.353 -24.375 7.402 1.00 0.00 C HETATM 2 O ACE A 1 -0.673 -24.184 8.409 1.00 0.00 O HETATM 3 CH3 ACE A 1 -2.875 -24.429 7.484 1.00 0.00 C HETATM 0 H1 ACE A 1 -3.301 -23.646 6.857 1.00 0.00 H new HETATM 0 H2 ACE A 1 -3.224 -25.402 7.137 1.00 0.00 H new HETATM 0 H3 ACE A 1 -3.189 -24.278 8.517 1.00 0.00 H new ATOM 7 N PRO A 2 -0.817 -24.540 6.224 1.00 0.00 N ATOM 8 CA PRO A 2 0.652 -24.514 5.991 1.00 0.00 C ATOM 9 C PRO A 2 1.327 -23.359 6.727 1.00 0.00 C ATOM 10 O PRO A 2 0.669 -22.409 7.152 1.00 0.00 O ATOM 11 CB PRO A 2 0.796 -24.349 4.470 1.00 0.00 C ATOM 12 CG PRO A 2 -0.591 -24.285 3.901 1.00 0.00 C ATOM 13 CD PRO A 2 -1.553 -24.771 4.983 1.00 0.00 C ATOM 0 HA PRO A 2 1.134 -25.417 6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.353 -23.443 4.232 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.350 -25.185 4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.835 -23.266 3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.669 -24.908 3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.491 -24.217 4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.802 -25.824 4.855 1.00 0.00 H new ATOM 21 N PRO A 3 2.621 -23.432 6.882 1.00 0.00 N ATOM 22 CA PRO A 3 3.413 -22.384 7.581 1.00 0.00 C ATOM 23 C PRO A 3 3.003 -20.977 7.154 1.00 0.00 C ATOM 24 O PRO A 3 2.349 -20.794 6.127 1.00 0.00 O ATOM 25 CB PRO A 3 4.869 -22.673 7.181 1.00 0.00 C ATOM 26 CG PRO A 3 4.845 -23.866 6.271 1.00 0.00 C ATOM 27 CD PRO A 3 3.472 -24.519 6.406 1.00 0.00 C ATOM 0 HA PRO A 3 3.257 -22.415 8.659 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.309 -21.812 6.677 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.479 -22.872 8.062 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.026 -23.565 5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.632 -24.570 6.541 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.121 -24.915 5.453 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.491 -25.351 7.110 1.00 0.00 H new ATOM 35 N THR A 4 3.392 -19.986 7.949 1.00 0.00 N ATOM 36 CA THR A 4 3.058 -18.599 7.645 1.00 0.00 C ATOM 37 C THR A 4 4.201 -17.672 8.047 1.00 0.00 C ATOM 38 O THR A 4 4.817 -17.850 9.098 1.00 0.00 O ATOM 39 CB THR A 4 1.783 -18.193 8.387 1.00 0.00 C ATOM 40 OG1 THR A 4 2.038 -18.234 9.774 1.00 0.00 O ATOM 41 CG2 THR A 4 0.658 -19.176 8.061 1.00 0.00 C ATOM 0 H THR A 4 3.935 -20.115 8.803 1.00 0.00 H new ATOM 0 HA THR A 4 2.895 -18.512 6.571 1.00 0.00 H new ATOM 0 HB THR A 4 1.485 -17.190 8.082 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.247 -18.882 8.592 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.468 -19.168 6.988 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.951 -20.179 8.370 1.00 0.00 H new ATOM 48 N THR A 5 4.478 -16.682 7.205 1.00 0.00 N ATOM 49 CA THR A 5 5.550 -15.733 7.482 1.00 0.00 C ATOM 50 C THR A 5 4.975 -14.388 7.916 1.00 0.00 C ATOM 51 O THR A 5 3.778 -14.140 7.775 1.00 0.00 O ATOM 52 CB THR A 5 6.415 -15.542 6.235 1.00 0.00 C ATOM 53 OG1 THR A 5 5.634 -14.929 5.235 1.00 0.00 O ATOM 54 CG2 THR A 5 6.895 -16.902 5.724 1.00 0.00 C ATOM 0 H THR A 5 3.979 -16.516 6.331 1.00 0.00 H new ATOM 0 HA THR A 5 6.163 -16.132 8.290 1.00 0.00 H new ATOM 0 HB THR A 5 7.278 -14.922 6.479 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.511 -16.760 4.836 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.483 -17.395 6.498 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.034 -17.521 5.473 1.00 0.00 H new ATOM 61 N THR A 6 5.836 -13.525 8.444 1.00 0.00 N ATOM 62 CA THR A 6 5.403 -12.207 8.895 1.00 0.00 C ATOM 63 C THR A 6 6.377 -11.133 8.424 1.00 0.00 C ATOM 64 O THR A 6 7.496 -11.434 8.010 1.00 0.00 O ATOM 65 CB THR A 6 5.310 -12.182 10.423 1.00 0.00 C ATOM 66 OG1 THR A 6 6.617 -12.198 10.954 1.00 0.00 O ATOM 67 CG2 THR A 6 4.560 -13.420 10.918 1.00 0.00 C ATOM 0 H THR A 6 6.831 -13.712 8.570 1.00 0.00 H new ATOM 0 HA THR A 6 4.421 -12.002 8.469 1.00 0.00 H new ATOM 0 HB THR A 6 4.778 -11.286 10.742 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.497 -13.396 12.006 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.555 -13.429 10.497 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.093 -14.318 10.605 1.00 0.00 H new ATOM 74 N THR A 7 5.944 -9.878 8.492 1.00 0.00 N ATOM 75 CA THR A 7 6.787 -8.766 8.069 1.00 0.00 C ATOM 76 C THR A 7 6.652 -7.594 9.035 1.00 0.00 C ATOM 77 O THR A 7 5.782 -7.593 9.907 1.00 0.00 O ATOM 78 CB THR A 7 6.393 -8.317 6.660 1.00 0.00 C ATOM 79 OG1 THR A 7 5.095 -7.765 6.709 1.00 0.00 O ATOM 80 CG2 THR A 7 6.382 -9.520 5.716 1.00 0.00 C ATOM 0 H THR A 7 5.022 -9.607 8.833 1.00 0.00 H new ATOM 0 HA THR A 7 7.824 -9.102 8.066 1.00 0.00 H new ATOM 0 HB THR A 7 7.110 -7.580 6.298 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.101 -9.194 4.715 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.375 -9.968 5.686 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.662 -10.256 6.073 1.00 0.00 H new ATOM 87 N LYS A 8 7.517 -6.597 8.874 1.00 0.00 N ATOM 88 CA LYS A 8 7.483 -5.423 9.738 1.00 0.00 C ATOM 89 C LYS A 8 8.186 -4.245 9.070 1.00 0.00 C ATOM 90 O LYS A 8 9.368 -4.325 8.735 1.00 0.00 O ATOM 91 CB LYS A 8 8.164 -5.736 11.072 1.00 0.00 C ATOM 92 CG LYS A 8 7.868 -4.618 12.072 1.00 0.00 C ATOM 93 CD LYS A 8 8.590 -4.906 13.390 1.00 0.00 C ATOM 94 CE LYS A 8 7.668 -4.572 14.563 1.00 0.00 C ATOM 95 NZ LYS A 8 7.176 -3.172 14.426 1.00 0.00 N ATOM 0 H LYS A 8 8.244 -6.578 8.159 1.00 0.00 H new ATOM 0 HA LYS A 8 6.441 -5.156 9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.806 -6.689 11.460 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.240 -5.834 10.929 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.194 -3.659 11.669 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.794 -4.543 12.242 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.885 -5.954 13.433 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.504 -4.315 13.453 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.826 -5.264 14.586 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.203 -4.690 15.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.955 -2.788 15.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.911 -2.588 13.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.319 -3.161 13.837 1.00 0.00 H new ATOM 109 N LYS A 9 7.451 -3.155 8.879 1.00 0.00 N ATOM 110 CA LYS A 9 8.016 -1.967 8.250 1.00 0.00 C ATOM 111 C LYS A 9 9.142 -1.392 9.102 1.00 0.00 C ATOM 112 O LYS A 9 9.228 -1.659 10.301 1.00 0.00 O ATOM 113 CB LYS A 9 6.926 -0.909 8.060 1.00 0.00 C ATOM 114 CG LYS A 9 5.689 -1.299 8.871 1.00 0.00 C ATOM 115 CD LYS A 9 4.704 -0.128 8.894 1.00 0.00 C ATOM 116 CE LYS A 9 3.383 -0.584 9.518 1.00 0.00 C ATOM 117 NZ LYS A 9 2.573 0.608 9.895 1.00 0.00 N ATOM 0 H LYS A 9 6.471 -3.069 9.148 1.00 0.00 H new ATOM 0 HA LYS A 9 8.421 -2.251 7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.291 0.067 8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.669 -0.822 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.216 -2.178 8.433 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.977 -1.566 9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.121 0.701 9.466 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.533 0.237 7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.830 -1.204 8.812 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.577 -1.198 10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.675 0.298 10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.100 1.183 10.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.377 1.177 9.047 1.00 0.00 H new ATOM 131 N PRO A 10 10.000 -0.612 8.503 1.00 0.00 N ATOM 132 CA PRO A 10 11.151 0.018 9.204 1.00 0.00 C ATOM 133 C PRO A 10 10.747 0.606 10.553 1.00 0.00 C ATOM 134 O PRO A 10 11.532 0.587 11.500 1.00 0.00 O ATOM 135 CB PRO A 10 11.626 1.122 8.248 1.00 0.00 C ATOM 136 CG PRO A 10 10.727 1.080 7.047 1.00 0.00 C ATOM 137 CD PRO A 10 9.966 -0.244 7.089 1.00 0.00 C ATOM 0 HA PRO A 10 11.931 -0.710 9.428 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.578 2.098 8.732 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.664 0.961 7.958 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.034 1.921 7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.310 1.158 6.129 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.944 -0.131 6.728 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.442 -1.001 6.466 1.00 0.00 H new HETATM 145 N NH2 A 11 9.560 1.131 10.696 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 0.668 -16.471 10.454 1.00 0.00 O HETATM 150 C1 A2G A 101 1.988 -16.958 10.371 1.00 0.00 C HETATM 151 C2 A2G A 101 2.545 -17.071 11.791 1.00 0.00 C HETATM 152 N2 A2G A 101 3.918 -17.559 11.754 1.00 0.00 N HETATM 153 C3 A2G A 101 1.667 -18.029 12.600 1.00 0.00 C HETATM 154 O3 A2G A 101 2.095 -18.031 13.954 1.00 0.00 O HETATM 155 C4 A2G A 101 0.207 -17.572 12.528 1.00 0.00 C HETATM 156 O4 A2G A 101 0.065 -16.336 13.215 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.209 -17.391 11.066 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.631 -16.829 11.001 1.00 0.00 C HETATM 159 O6 A2G A 101 -2.486 -17.607 11.826 1.00 0.00 O HETATM 160 C7 A2G A 101 4.918 -16.836 12.246 1.00 0.00 C HETATM 161 O7 A2G A 101 4.756 -15.727 12.756 1.00 0.00 O HETATM 162 C8 A2G A 101 6.315 -17.431 12.101 1.00 0.00 C HETATM 0 HO4 A2G A 101 0.255 -15.597 12.601 1.00 0.00 H new HETATM 0 HO3 A2G A 101 1.649 -17.306 14.439 1.00 0.00 H new HETATM 0 HN2 A2G A 101 4.114 -18.472 11.343 1.00 0.00 H new HETATM 0 H8B A2G A 101 6.357 -18.391 12.616 1.00 0.00 H new HETATM 0 H8A A2G A 101 6.541 -17.576 11.045 1.00 0.00 H new HETATM 0 H8 A2G A 101 7.047 -16.752 12.539 1.00 0.00 H new HETATM 0 H6 A2G A 101 -1.991 -16.841 9.972 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.171 -18.353 10.555 1.00 0.00 H new HETATM 0 H4 A2G A 101 -0.429 -18.326 12.992 1.00 0.00 H new HETATM 0 H3 A2G A 101 1.752 -19.035 12.188 1.00 0.00 H new HETATM 0 H2 A2G A 101 2.540 -16.088 12.262 1.00 0.00 H new HETATM 0 H15 A2G A 101 -3.396 -17.246 11.786 1.00 0.00 H new HETATM 0 H14 A2G A 101 -1.638 -15.790 11.330 1.00 0.00 H new HETATM 177 O A2G A 102 7.321 -13.619 4.291 1.00 0.00 O HETATM 178 C1 A2G A 102 6.068 -13.620 4.939 1.00 0.00 C HETATM 179 C2 A2G A 102 5.044 -12.977 3.999 1.00 0.00 C HETATM 180 N2 A2G A 102 3.731 -12.951 4.632 1.00 0.00 N HETATM 181 C3 A2G A 102 4.986 -13.779 2.697 1.00 0.00 C HETATM 182 O3 A2G A 102 4.136 -13.118 1.772 1.00 0.00 O HETATM 183 C4 A2G A 102 6.392 -13.895 2.106 1.00 0.00 C HETATM 184 O4 A2G A 102 6.842 -12.609 1.703 1.00 0.00 O HETATM 185 C5 A2G A 102 7.344 -14.461 3.161 1.00 0.00 C HETATM 186 C6 A2G A 102 8.769 -14.496 2.605 1.00 0.00 C HETATM 187 O6 A2G A 102 8.735 -14.289 1.200 1.00 0.00 O HETATM 188 C7 A2G A 102 3.097 -11.804 4.850 1.00 0.00 C HETATM 189 O7 A2G A 102 3.564 -10.709 4.539 1.00 0.00 O HETATM 190 C8 A2G A 102 1.756 -11.902 5.572 1.00 0.00 C HETATM 0 HO4 A2G A 102 7.685 -12.697 1.211 1.00 0.00 H new HETATM 0 HO3 A2G A 102 4.664 -12.494 1.231 1.00 0.00 H new HETATM 0 HN2 A2G A 102 3.292 -13.828 4.912 1.00 0.00 H new HETATM 0 H8B A2G A 102 1.072 -12.517 4.987 1.00 0.00 H new HETATM 0 H8A A2G A 102 1.903 -12.355 6.552 1.00 0.00 H new HETATM 0 H8 A2G A 102 1.334 -10.904 5.693 1.00 0.00 H new HETATM 0 H6 A2G A 102 9.235 -15.455 2.831 1.00 0.00 H new HETATM 0 H5 A2G A 102 7.031 -15.470 3.430 1.00 0.00 H new HETATM 0 H4 A2G A 102 6.370 -14.560 1.243 1.00 0.00 H new HETATM 0 H3 A2G A 102 4.595 -14.776 2.901 1.00 0.00 H new HETATM 0 H2 A2G A 102 5.343 -11.952 3.781 1.00 0.00 H new HETATM 0 H15 A2G A 102 9.648 -14.310 0.844 1.00 0.00 H new HETATM 0 H14 A2G A 102 9.376 -13.726 3.082 1.00 0.00 H new HETATM 205 O A2G A 103 6.260 -10.692 12.700 1.00 0.00 O HETATM 206 C1 A2G A 103 6.985 -10.960 11.520 1.00 0.00 C HETATM 207 C2 A2G A 103 8.472 -11.019 11.876 1.00 0.00 C HETATM 208 N2 A2G A 103 9.262 -11.290 10.682 1.00 0.00 N HETATM 209 C3 A2G A 103 8.695 -12.119 12.916 1.00 0.00 C HETATM 210 O3 A2G A 103 10.048 -12.095 13.346 1.00 0.00 O HETATM 211 C4 A2G A 103 7.775 -11.883 14.114 1.00 0.00 C HETATM 212 O4 A2G A 103 8.162 -10.690 14.780 1.00 0.00 O HETATM 213 C5 A2G A 103 6.329 -11.750 13.629 1.00 0.00 C HETATM 214 C6 A2G A 103 5.416 -11.426 14.812 1.00 0.00 C HETATM 215 O6 A2G A 103 5.909 -12.064 15.981 1.00 0.00 O HETATM 216 C7 A2G A 103 10.184 -10.430 10.258 1.00 0.00 C HETATM 217 O7 A2G A 103 10.426 -9.371 10.834 1.00 0.00 O HETATM 218 C8 A2G A 103 10.909 -10.802 8.969 1.00 0.00 C HETATM 0 HO4 A2G A 103 7.761 -9.918 14.328 1.00 0.00 H new HETATM 0 HO3 A2G A 103 10.116 -11.593 14.185 1.00 0.00 H new HETATM 0 HN2 A2G A 103 9.105 -12.154 10.163 1.00 0.00 H new HETATM 0 H8B A2G A 103 11.424 -11.753 9.103 1.00 0.00 H new HETATM 0 H8A A2G A 103 10.186 -10.892 8.158 1.00 0.00 H new HETATM 0 H8 A2G A 103 11.635 -10.027 8.724 1.00 0.00 H new HETATM 0 H6 A2G A 103 4.400 -11.761 14.603 1.00 0.00 H new HETATM 0 H5 A2G A 103 6.010 -12.685 13.168 1.00 0.00 H new HETATM 0 H4 A2G A 103 7.852 -12.725 14.802 1.00 0.00 H new HETATM 0 H3 A2G A 103 8.471 -13.089 12.473 1.00 0.00 H new HETATM 0 H2 A2G A 103 8.786 -10.060 12.288 1.00 0.00 H new HETATM 0 H15 A2G A 103 5.324 -11.855 16.739 1.00 0.00 H new HETATM 0 H14 A2G A 103 5.371 -10.348 14.965 1.00 0.00 H new HETATM 233 O A2G A 104 5.453 -6.000 5.227 1.00 0.00 O HETATM 234 C1 A2G A 104 5.097 -6.366 6.541 1.00 0.00 C HETATM 235 C2 A2G A 104 3.682 -5.850 6.814 1.00 0.00 C HETATM 236 N2 A2G A 104 3.273 -6.201 8.168 1.00 0.00 N HETATM 237 C3 A2G A 104 2.719 -6.464 5.796 1.00 0.00 C HETATM 238 O3 A2G A 104 1.430 -5.892 5.961 1.00 0.00 O HETATM 239 C4 A2G A 104 3.225 -6.182 4.381 1.00 0.00 C HETATM 240 O4 A2G A 104 3.160 -4.787 4.123 1.00 0.00 O HETATM 241 C5 A2G A 104 4.674 -6.657 4.253 1.00 0.00 C HETATM 242 C6 A2G A 104 5.215 -6.298 2.867 1.00 0.00 C HETATM 243 O6 A2G A 104 4.238 -6.606 1.884 1.00 0.00 O HETATM 244 C7 A2G A 104 2.965 -5.264 9.058 1.00 0.00 C HETATM 245 O7 A2G A 104 3.004 -4.060 8.804 1.00 0.00 O HETATM 246 C8 A2G A 104 2.627 -5.753 10.463 1.00 0.00 C HETATM 0 HO4 A2G A 104 4.010 -4.368 4.372 1.00 0.00 H new HETATM 0 HO3 A2G A 104 1.289 -5.202 5.280 1.00 0.00 H new HETATM 0 HN2 A2G A 104 3.222 -7.184 8.437 1.00 0.00 H new HETATM 0 H8B A2G A 104 1.766 -6.419 10.419 1.00 0.00 H new HETATM 0 H8A A2G A 104 3.481 -6.290 10.876 1.00 0.00 H new HETATM 0 H8 A2G A 104 2.393 -4.899 11.099 1.00 0.00 H new HETATM 0 H6 A2G A 104 6.133 -6.851 2.669 1.00 0.00 H new HETATM 0 H5 A2G A 104 4.718 -7.737 4.393 1.00 0.00 H new HETATM 0 H4 A2G A 104 2.603 -6.714 3.661 1.00 0.00 H new HETATM 0 H3 A2G A 104 2.662 -7.541 5.953 1.00 0.00 H new HETATM 0 H2 A2G A 104 3.666 -4.764 6.719 1.00 0.00 H new HETATM 0 H15 A2G A 104 4.583 -6.375 0.996 1.00 0.00 H new HETATM 0 H14 A2G A 104 5.466 -5.238 2.826 1.00 0.00 H new