USER MOD reduce.3.24.130724 H: found=0, std=0, add=126, rem=0, adj=14 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+ -159:sc= -0.104 (180deg=-0.57) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= -0.0176 (180deg=-0.277) USER MOD Single : A 101 A2G O3 : rot 87:sc= 0.0591 USER MOD Single : A 101 A2G O4 : rot -167:sc= 0.342 USER MOD Single : A 101 A2G O6 : rot 180:sc= 0.254 USER MOD Single : A 102 A2G O3 : rot 88:sc= 0.0572 USER MOD Single : A 102 A2G O4 : rot 92:sc= 0.0781 USER MOD Single : A 102 A2G O6 : rot 180:sc= -0.0146 USER MOD Single : A 103 A2G O3 : rot 90:sc= 0.0605 USER MOD Single : A 103 A2G O4 : rot -150:sc= -0.315 USER MOD Single : A 103 A2G O6 : rot 180:sc= 0 USER MOD Single : A 104 A2G O3 : rot 96:sc= 0.0574 USER MOD Single : A 104 A2G O4 : rot -168:sc= 0.432 USER MOD Single : A 104 A2G O6 : rot 180:sc= 0.324 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 -1.479 -21.981 8.425 1.00 0.00 C HETATM 2 O ACE A 1 -0.797 -21.736 9.419 1.00 0.00 O HETATM 3 CH3 ACE A 1 -2.948 -21.574 8.363 1.00 0.00 C HETATM 0 H1 ACE A 1 -3.102 -20.895 7.525 1.00 0.00 H new HETATM 0 H2 ACE A 1 -3.566 -22.462 8.229 1.00 0.00 H new HETATM 0 H3 ACE A 1 -3.227 -21.074 9.291 1.00 0.00 H new ATOM 7 N PRO A 2 -0.990 -22.595 7.382 1.00 0.00 N ATOM 8 CA PRO A 2 0.423 -23.052 7.299 1.00 0.00 C ATOM 9 C PRO A 2 1.397 -21.988 7.798 1.00 0.00 C ATOM 10 O PRO A 2 1.048 -20.813 7.912 1.00 0.00 O ATOM 11 CB PRO A 2 0.646 -23.338 5.806 1.00 0.00 C ATOM 12 CG PRO A 2 -0.642 -23.031 5.102 1.00 0.00 C ATOM 13 CD PRO A 2 -1.733 -22.921 6.166 1.00 0.00 C ATOM 0 HA PRO A 2 0.601 -23.925 7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.456 -22.724 5.413 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.931 -24.379 5.651 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.559 -22.101 4.540 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.883 -23.816 4.385 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.459 -22.146 5.919 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.287 -23.854 6.272 1.00 0.00 H new ATOM 21 N PRO A 3 2.605 -22.383 8.095 1.00 0.00 N ATOM 22 CA PRO A 3 3.660 -21.462 8.596 1.00 0.00 C ATOM 23 C PRO A 3 3.705 -20.159 7.802 1.00 0.00 C ATOM 24 O PRO A 3 4.187 -20.129 6.669 1.00 0.00 O ATOM 25 CB PRO A 3 4.969 -22.249 8.428 1.00 0.00 C ATOM 26 CG PRO A 3 4.607 -23.580 7.836 1.00 0.00 C ATOM 27 CD PRO A 3 3.098 -23.755 7.986 1.00 0.00 C ATOM 0 HA PRO A 3 3.476 -21.165 9.629 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.661 -21.713 7.778 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.468 -22.377 9.388 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.895 -23.623 6.786 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.139 -24.384 8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.666 -24.270 7.128 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.848 -24.343 8.869 1.00 0.00 H new ATOM 35 N THR A 4 3.201 -19.086 8.403 1.00 0.00 N ATOM 36 CA THR A 4 3.190 -17.787 7.742 1.00 0.00 C ATOM 37 C THR A 4 4.408 -16.967 8.153 1.00 0.00 C ATOM 38 O THR A 4 5.117 -17.319 9.096 1.00 0.00 O ATOM 39 CB THR A 4 1.912 -17.027 8.108 1.00 0.00 C ATOM 40 OG1 THR A 4 1.865 -16.871 9.509 1.00 0.00 O ATOM 41 CG2 THR A 4 0.687 -17.825 7.658 1.00 0.00 C ATOM 0 H THR A 4 2.798 -19.090 9.340 1.00 0.00 H new ATOM 0 HA THR A 4 3.222 -17.947 6.664 1.00 0.00 H new ATOM 0 HB THR A 4 1.912 -16.055 7.615 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.219 -17.280 7.921 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.723 -17.969 6.578 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.683 -18.796 8.154 1.00 0.00 H new ATOM 48 N THR A 5 4.644 -15.870 7.440 1.00 0.00 N ATOM 49 CA THR A 5 5.781 -15.007 7.740 1.00 0.00 C ATOM 50 C THR A 5 5.354 -13.542 7.744 1.00 0.00 C ATOM 51 O THR A 5 4.538 -13.121 6.926 1.00 0.00 O ATOM 52 CB THR A 5 6.884 -15.215 6.699 1.00 0.00 C ATOM 53 OG1 THR A 5 6.365 -14.903 5.424 1.00 0.00 O ATOM 54 CG2 THR A 5 7.333 -16.677 6.704 1.00 0.00 C ATOM 0 H THR A 5 4.069 -15.560 6.657 1.00 0.00 H new ATOM 0 HA THR A 5 6.160 -15.267 8.728 1.00 0.00 H new ATOM 0 HB THR A 5 7.734 -14.574 6.934 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.118 -16.819 5.961 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.716 -16.937 7.691 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.485 -17.319 6.463 1.00 0.00 H new ATOM 61 N THR A 6 5.912 -12.773 8.673 1.00 0.00 N ATOM 62 CA THR A 6 5.582 -11.355 8.775 1.00 0.00 C ATOM 63 C THR A 6 6.711 -10.500 8.211 1.00 0.00 C ATOM 64 O THR A 6 7.877 -10.684 8.561 1.00 0.00 O ATOM 65 CB THR A 6 5.338 -10.980 10.239 1.00 0.00 C ATOM 66 OG1 THR A 6 6.515 -11.238 10.973 1.00 0.00 O ATOM 67 CG2 THR A 6 4.204 -11.833 10.811 1.00 0.00 C ATOM 0 H THR A 6 6.589 -13.103 9.361 1.00 0.00 H new ATOM 0 HA THR A 6 4.677 -11.169 8.196 1.00 0.00 H new ATOM 0 HB THR A 6 5.068 -9.926 10.306 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.035 -11.562 11.853 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.293 -11.659 10.238 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.475 -12.887 10.750 1.00 0.00 H new ATOM 74 N THR A 7 6.358 -9.563 7.337 1.00 0.00 N ATOM 75 CA THR A 7 7.351 -8.685 6.729 1.00 0.00 C ATOM 76 C THR A 7 7.353 -7.323 7.415 1.00 0.00 C ATOM 77 O THR A 7 6.384 -6.570 7.327 1.00 0.00 O ATOM 78 CB THR A 7 7.049 -8.508 5.239 1.00 0.00 C ATOM 79 OG1 THR A 7 5.808 -7.850 5.106 1.00 0.00 O ATOM 80 CG2 THR A 7 6.959 -9.876 4.561 1.00 0.00 C ATOM 0 H THR A 7 5.399 -9.393 7.035 1.00 0.00 H new ATOM 0 HA THR A 7 8.334 -9.141 6.849 1.00 0.00 H new ATOM 0 HB THR A 7 7.843 -7.925 4.772 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.744 -9.743 3.501 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.907 -10.402 4.676 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.162 -10.459 5.023 1.00 0.00 H new ATOM 87 N LYS A 8 8.451 -7.013 8.099 1.00 0.00 N ATOM 88 CA LYS A 8 8.569 -5.736 8.794 1.00 0.00 C ATOM 89 C LYS A 8 7.272 -5.399 9.520 1.00 0.00 C ATOM 90 O LYS A 8 6.340 -4.857 8.927 1.00 0.00 O ATOM 91 CB LYS A 8 8.901 -4.627 7.793 1.00 0.00 C ATOM 92 CG LYS A 8 10.217 -4.953 7.084 1.00 0.00 C ATOM 93 CD LYS A 8 9.967 -5.081 5.581 1.00 0.00 C ATOM 94 CE LYS A 8 11.289 -5.377 4.867 1.00 0.00 C ATOM 95 NZ LYS A 8 12.216 -4.225 5.044 1.00 0.00 N ATOM 0 H LYS A 8 9.264 -7.622 8.186 1.00 0.00 H new ATOM 0 HA LYS A 8 9.371 -5.815 9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.097 -4.530 7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.981 -3.670 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.950 -4.170 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.633 -5.882 7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.250 -5.879 5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.531 -4.160 5.194 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.738 -6.284 5.271 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.110 -5.555 3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.943 -4.247 4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.681 -3.336 4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.672 -4.287 5.977 1.00 0.00 H new ATOM 109 N LYS A 9 7.220 -5.722 10.809 1.00 0.00 N ATOM 110 CA LYS A 9 6.031 -5.448 11.607 1.00 0.00 C ATOM 111 C LYS A 9 5.772 -3.947 11.685 1.00 0.00 C ATOM 112 O LYS A 9 6.678 -3.138 11.481 1.00 0.00 O ATOM 113 CB LYS A 9 6.208 -6.011 13.019 1.00 0.00 C ATOM 114 CG LYS A 9 7.687 -6.316 13.265 1.00 0.00 C ATOM 115 CD LYS A 9 7.918 -6.558 14.758 1.00 0.00 C ATOM 116 CE LYS A 9 9.354 -7.032 14.983 1.00 0.00 C ATOM 117 NZ LYS A 9 10.302 -5.958 14.572 1.00 0.00 N ATOM 0 H LYS A 9 7.981 -6.170 11.319 1.00 0.00 H new ATOM 0 HA LYS A 9 5.177 -5.928 11.129 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.846 -5.294 13.756 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.614 -6.917 13.138 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.988 -7.194 12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.303 -5.485 12.921 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.735 -5.641 15.318 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.215 -7.304 15.129 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.505 -7.283 16.033 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.543 -7.939 14.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.248 -6.166 14.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.348 -5.914 13.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.973 -5.044 14.943 1.00 0.00 H new ATOM 131 N PRO A 10 4.557 -3.569 11.976 1.00 0.00 N ATOM 132 CA PRO A 10 4.156 -2.141 12.083 1.00 0.00 C ATOM 133 C PRO A 10 5.173 -1.318 12.869 1.00 0.00 C ATOM 134 O PRO A 10 5.917 -0.528 12.288 1.00 0.00 O ATOM 135 CB PRO A 10 2.803 -2.176 12.811 1.00 0.00 C ATOM 136 CG PRO A 10 2.492 -3.616 13.091 1.00 0.00 C ATOM 137 CD PRO A 10 3.431 -4.464 12.235 1.00 0.00 C ATOM 0 HA PRO A 10 4.097 -1.667 11.103 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.849 -1.604 13.738 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.023 -1.725 12.197 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.631 -3.839 14.149 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.452 -3.837 12.853 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.747 -5.366 12.759 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.952 -4.784 11.310 1.00 0.00 H new HETATM 145 N NH2 A 11 5.249 -1.458 14.165 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 0.779 -14.806 9.529 1.00 0.00 O HETATM 150 C1 A2G A 101 1.936 -15.520 9.904 1.00 0.00 C HETATM 151 C2 A2G A 101 2.051 -15.473 11.430 1.00 0.00 C HETATM 152 N2 A2G A 101 3.240 -16.196 11.866 1.00 0.00 N HETATM 153 C3 A2G A 101 0.798 -16.099 12.047 1.00 0.00 C HETATM 154 O3 A2G A 101 0.838 -15.945 13.458 1.00 0.00 O HETATM 155 C4 A2G A 101 -0.446 -15.404 11.491 1.00 0.00 C HETATM 156 O4 A2G A 101 -0.474 -14.056 11.939 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.407 -15.433 9.963 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.604 -14.661 9.401 1.00 0.00 C HETATM 159 O6 A2G A 101 -2.614 -14.566 10.394 1.00 0.00 O HETATM 160 C7 A2G A 101 4.202 -15.587 12.550 1.00 0.00 C HETATM 161 O7 A2G A 101 4.155 -14.395 12.856 1.00 0.00 O HETATM 162 C8 A2G A 101 5.388 -16.452 12.961 1.00 0.00 C HETATM 0 HO4 A2G A 101 -1.358 -13.671 11.762 1.00 0.00 H new HETATM 0 HO3 A2G A 101 0.444 -15.082 13.704 1.00 0.00 H new HETATM 0 HN2 A2G A 101 3.335 -17.187 11.642 1.00 0.00 H new HETATM 0 H8B A2G A 101 5.041 -17.269 13.594 1.00 0.00 H new HETATM 0 H8A A2G A 101 5.866 -16.861 12.071 1.00 0.00 H new HETATM 0 H8 A2G A 101 6.107 -15.846 13.512 1.00 0.00 H new HETATM 0 H6 A2G A 101 -1.994 -15.166 8.517 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.443 -16.466 9.617 1.00 0.00 H new HETATM 0 H4 A2G A 101 -1.339 -15.922 11.841 1.00 0.00 H new HETATM 0 H3 A2G A 101 0.761 -17.160 11.799 1.00 0.00 H new HETATM 0 H2 A2G A 101 2.138 -14.437 11.756 1.00 0.00 H new HETATM 0 H15 A2G A 101 -3.380 -14.070 10.035 1.00 0.00 H new HETATM 0 H14 A2G A 101 -1.293 -13.665 9.087 1.00 0.00 H new HETATM 177 O A2G A 102 8.326 -13.915 4.629 1.00 0.00 O HETATM 178 C1 A2G A 102 6.948 -13.744 4.872 1.00 0.00 C HETATM 179 C2 A2G A 102 6.260 -13.450 3.537 1.00 0.00 C HETATM 180 N2 A2G A 102 4.829 -13.258 3.741 1.00 0.00 N HETATM 181 C3 A2G A 102 6.503 -14.618 2.577 1.00 0.00 C HETATM 182 O3 A2G A 102 5.989 -14.288 1.295 1.00 0.00 O HETATM 183 C4 A2G A 102 8.005 -14.891 2.469 1.00 0.00 C HETATM 184 O4 A2G A 102 8.639 -13.797 1.822 1.00 0.00 O HETATM 185 C5 A2G A 102 8.600 -15.069 3.868 1.00 0.00 C HETATM 186 C6 A2G A 102 10.118 -15.236 3.764 1.00 0.00 C HETATM 187 O6 A2G A 102 10.421 -16.188 2.755 1.00 0.00 O HETATM 188 C7 A2G A 102 4.236 -12.115 3.412 1.00 0.00 C HETATM 189 O7 A2G A 102 4.842 -11.162 2.922 1.00 0.00 O HETATM 190 C8 A2G A 102 2.747 -12.016 3.725 1.00 0.00 C HETATM 0 HO4 A2G A 102 8.951 -13.156 2.494 1.00 0.00 H new HETATM 0 HO3 A2G A 102 6.676 -13.818 0.778 1.00 0.00 H new HETATM 0 HN2 A2G A 102 4.274 -14.013 4.143 1.00 0.00 H new HETATM 0 H8B A2G A 102 2.210 -12.799 3.189 1.00 0.00 H new HETATM 0 H8A A2G A 102 2.592 -12.138 4.797 1.00 0.00 H new HETATM 0 H8 A2G A 102 2.374 -11.041 3.413 1.00 0.00 H new HETATM 0 H6 A2G A 102 10.525 -15.562 4.721 1.00 0.00 H new HETATM 0 H5 A2G A 102 8.164 -15.950 4.339 1.00 0.00 H new HETATM 0 H4 A2G A 102 8.165 -15.801 1.891 1.00 0.00 H new HETATM 0 H3 A2G A 102 6.001 -15.509 2.955 1.00 0.00 H new HETATM 0 H2 A2G A 102 6.674 -12.537 3.110 1.00 0.00 H new HETATM 0 H15 A2G A 102 11.393 -16.294 2.687 1.00 0.00 H new HETATM 0 H14 A2G A 102 10.585 -14.279 3.528 1.00 0.00 H new HETATM 205 O A2G A 103 6.286 -9.437 12.440 1.00 0.00 O HETATM 206 C1 A2G A 103 7.105 -10.061 11.478 1.00 0.00 C HETATM 207 C2 A2G A 103 8.427 -10.437 12.149 1.00 0.00 C HETATM 208 N2 A2G A 103 9.314 -11.079 11.185 1.00 0.00 N HETATM 209 C3 A2G A 103 8.146 -11.386 13.317 1.00 0.00 C HETATM 210 O3 A2G A 103 9.351 -11.627 14.029 1.00 0.00 O HETATM 211 C4 A2G A 103 7.118 -10.751 14.258 1.00 0.00 C HETATM 212 O4 A2G A 103 7.692 -9.615 14.887 1.00 0.00 O HETATM 213 C5 A2G A 103 5.882 -10.321 13.462 1.00 0.00 C HETATM 214 C6 A2G A 103 4.904 -9.591 14.383 1.00 0.00 C HETATM 215 O6 A2G A 103 4.489 -10.466 15.422 1.00 0.00 O HETATM 216 C7 A2G A 103 10.504 -10.561 10.897 1.00 0.00 C HETATM 217 O7 A2G A 103 10.928 -9.527 11.413 1.00 0.00 O HETATM 218 C8 A2G A 103 11.322 -11.302 9.845 1.00 0.00 C HETATM 0 HO4 A2G A 103 7.290 -9.494 15.773 1.00 0.00 H new HETATM 0 HO3 A2G A 103 9.454 -10.955 14.735 1.00 0.00 H new HETATM 0 HN2 A2G A 103 9.016 -11.939 10.725 1.00 0.00 H new HETATM 0 H8B A2G A 103 11.511 -12.321 10.182 1.00 0.00 H new HETATM 0 H8A A2G A 103 10.769 -11.327 8.906 1.00 0.00 H new HETATM 0 H8 A2G A 103 12.271 -10.788 9.694 1.00 0.00 H new HETATM 0 H6 A2G A 103 4.039 -9.248 13.815 1.00 0.00 H new HETATM 0 H5 A2G A 103 5.398 -11.200 13.038 1.00 0.00 H new HETATM 0 H4 A2G A 103 6.824 -11.480 15.014 1.00 0.00 H new HETATM 0 H3 A2G A 103 7.753 -12.327 12.933 1.00 0.00 H new HETATM 0 H2 A2G A 103 8.914 -9.536 12.522 1.00 0.00 H new HETATM 0 H15 A2G A 103 3.863 -9.998 16.014 1.00 0.00 H new HETATM 0 H14 A2G A 103 5.378 -8.706 14.806 1.00 0.00 H new HETATM 233 O A2G A 104 6.224 -6.566 3.202 1.00 0.00 O HETATM 234 C1 A2G A 104 5.940 -6.548 4.583 1.00 0.00 C HETATM 235 C2 A2G A 104 4.614 -5.813 4.786 1.00 0.00 C HETATM 236 N2 A2G A 104 4.285 -5.757 6.206 1.00 0.00 N HETATM 237 C3 A2G A 104 3.511 -6.545 4.019 1.00 0.00 C HETATM 238 O3 A2G A 104 2.309 -5.793 4.090 1.00 0.00 O HETATM 239 C4 A2G A 104 3.925 -6.705 2.553 1.00 0.00 C HETATM 240 O4 A2G A 104 3.966 -5.428 1.932 1.00 0.00 O HETATM 241 C5 A2G A 104 5.310 -7.354 2.473 1.00 0.00 C HETATM 242 C6 A2G A 104 5.768 -7.412 1.015 1.00 0.00 C HETATM 243 O6 A2G A 104 4.640 -7.295 0.160 1.00 0.00 O HETATM 244 C7 A2G A 104 4.151 -4.594 6.834 1.00 0.00 C HETATM 245 O7 A2G A 104 4.292 -3.508 6.273 1.00 0.00 O HETATM 246 C8 A2G A 104 3.780 -4.666 8.312 1.00 0.00 C HETATM 0 HO4 A2G A 104 4.044 -5.539 0.961 1.00 0.00 H new HETATM 0 HO3 A2G A 104 2.225 -5.234 3.289 1.00 0.00 H new HETATM 0 HN2 A2G A 104 4.156 -6.625 6.725 1.00 0.00 H new HETATM 0 H8B A2G A 104 2.825 -5.179 8.423 1.00 0.00 H new HETATM 0 H8A A2G A 104 4.551 -5.213 8.854 1.00 0.00 H new HETATM 0 H8 A2G A 104 3.699 -3.657 8.716 1.00 0.00 H new HETATM 0 H6 A2G A 104 6.288 -8.351 0.823 1.00 0.00 H new HETATM 0 H5 A2G A 104 5.264 -8.363 2.883 1.00 0.00 H new HETATM 0 H4 A2G A 104 3.200 -7.339 2.042 1.00 0.00 H new HETATM 0 H3 A2G A 104 3.354 -7.529 4.461 1.00 0.00 H new HETATM 0 H2 A2G A 104 4.702 -4.794 4.410 1.00 0.00 H new HETATM 0 H15 A2G A 104 4.933 -7.330 -0.775 1.00 0.00 H new HETATM 0 H14 A2G A 104 6.476 -6.608 0.813 1.00 0.00 H new