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+ -164:sc= -0.997 (180deg=-1.19) USER MOD Single : A 9 LYS NZ :NH3+ -128:sc= -0.333 (180deg=-1.39!) USER MOD Single : A 101 A2G O3 : rot 91:sc= 0.0354 USER MOD Single : A 101 A2G O4 : rot 92:sc= 0.0554 USER MOD Single : A 101 A2G O6 : rot 180:sc= -0.0563 USER MOD Single : A 102 A2G O3 : rot 90:sc= 0.0482 USER MOD Single : A 102 A2G O4 : rot 92:sc= 0.0526 USER MOD Single : A 102 A2G O6 : rot 180:sc= -0.0368 USER MOD Single : A 103 A2G O3 : rot 91:sc= 0.066 USER MOD Single : A 103 A2G O4 : rot -165:sc= 0.484 USER MOD Single : A 103 A2G O6 : rot 180:sc= 0.346 USER MOD Single : A 104 A2G O3 : rot 90:sc= 0.0655 USER MOD Single : A 104 A2G O4 : rot 82:sc= 0.0789 USER MOD Single : A 104 A2G O6 : rot 180:sc= -0.0586 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 -0.052 -21.212 10.860 1.00 0.00 C HETATM 2 O ACE A 1 1.162 -21.383 10.968 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.833 -20.456 11.930 1.00 0.00 C HETATM 0 H1 ACE A 1 -1.306 -19.581 11.485 1.00 0.00 H new HETATM 0 H2 ACE A 1 -1.598 -21.108 12.351 1.00 0.00 H new HETATM 0 H3 ACE A 1 -0.153 -20.138 12.720 1.00 0.00 H new ATOM 7 N PRO A 2 -0.728 -21.661 9.839 1.00 0.00 N ATOM 8 CA PRO A 2 -0.105 -22.421 8.721 1.00 0.00 C ATOM 9 C PRO A 2 1.218 -21.803 8.274 1.00 0.00 C ATOM 10 O PRO A 2 1.509 -20.645 8.575 1.00 0.00 O ATOM 11 CB PRO A 2 -1.147 -22.357 7.591 1.00 0.00 C ATOM 12 CG PRO A 2 -2.310 -21.567 8.115 1.00 0.00 C ATOM 13 CD PRO A 2 -2.164 -21.495 9.633 1.00 0.00 C ATOM 0 HA PRO A 2 0.140 -23.442 9.016 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -0.726 -21.883 6.704 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.461 -23.359 7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.321 -20.567 7.682 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.252 -22.043 7.842 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.520 -20.543 10.027 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.735 -22.279 10.130 1.00 0.00 H new ATOM 21 N PRO A 3 2.015 -22.555 7.566 1.00 0.00 N ATOM 22 CA PRO A 3 3.334 -22.087 7.062 1.00 0.00 C ATOM 23 C PRO A 3 3.242 -20.702 6.427 1.00 0.00 C ATOM 24 O PRO A 3 2.847 -20.566 5.270 1.00 0.00 O ATOM 25 CB PRO A 3 3.746 -23.136 6.017 1.00 0.00 C ATOM 26 CG PRO A 3 2.647 -24.156 5.959 1.00 0.00 C ATOM 27 CD PRO A 3 1.745 -23.938 7.172 1.00 0.00 C ATOM 0 HA PRO A 3 4.059 -21.991 7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.892 -22.671 5.042 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.691 -23.604 6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.077 -24.052 5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.061 -25.164 5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.695 -24.084 6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.980 -24.636 7.976 1.00 0.00 H new ATOM 35 N THR A 4 3.611 -19.679 7.192 1.00 0.00 N ATOM 36 CA THR A 4 3.575 -18.311 6.686 1.00 0.00 C ATOM 37 C THR A 4 4.721 -17.492 7.271 1.00 0.00 C ATOM 38 O THR A 4 5.188 -17.762 8.377 1.00 0.00 O ATOM 39 CB THR A 4 2.243 -17.650 7.052 1.00 0.00 C ATOM 40 OG1 THR A 4 2.057 -17.743 8.448 1.00 0.00 O ATOM 41 CG2 THR A 4 1.094 -18.379 6.354 1.00 0.00 C ATOM 0 H THR A 4 3.935 -19.769 8.155 1.00 0.00 H new ATOM 0 HA THR A 4 3.680 -18.346 5.602 1.00 0.00 H new ATOM 0 HB THR A 4 2.257 -16.606 6.737 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.149 -17.905 6.618 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.235 -18.331 5.274 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.078 -19.422 6.672 1.00 0.00 H new ATOM 48 N THR A 5 5.165 -16.486 6.524 1.00 0.00 N ATOM 49 CA THR A 5 6.254 -15.632 6.983 1.00 0.00 C ATOM 50 C THR A 5 5.724 -14.272 7.427 1.00 0.00 C ATOM 51 O THR A 5 4.819 -13.715 6.805 1.00 0.00 O ATOM 52 CB THR A 5 7.281 -15.442 5.863 1.00 0.00 C ATOM 53 OG1 THR A 5 6.632 -14.861 4.753 1.00 0.00 O ATOM 54 CG2 THR A 5 7.848 -16.800 5.447 1.00 0.00 C ATOM 0 H THR A 5 4.791 -16.244 5.606 1.00 0.00 H new ATOM 0 HA THR A 5 6.732 -16.117 7.834 1.00 0.00 H new ATOM 0 HB THR A 5 8.091 -14.802 6.212 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.578 -16.661 4.650 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.331 -17.270 6.303 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.039 -17.438 5.091 1.00 0.00 H new ATOM 61 N THR A 6 6.294 -13.741 8.504 1.00 0.00 N ATOM 62 CA THR A 6 5.871 -12.443 9.022 1.00 0.00 C ATOM 63 C THR A 6 6.888 -11.365 8.657 1.00 0.00 C ATOM 64 O THR A 6 8.083 -11.526 8.885 1.00 0.00 O ATOM 65 CB THR A 6 5.713 -12.509 10.554 1.00 0.00 C ATOM 66 OG1 THR A 6 6.988 -12.694 11.128 1.00 0.00 O ATOM 67 CG2 THR A 6 4.823 -13.695 10.940 1.00 0.00 C ATOM 0 H THR A 6 7.045 -14.185 9.033 1.00 0.00 H new ATOM 0 HA THR A 6 4.911 -12.189 8.572 1.00 0.00 H new ATOM 0 HB THR A 6 5.257 -11.586 10.912 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.718 -13.733 12.024 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.840 -13.576 10.484 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.277 -14.621 10.587 1.00 0.00 H new ATOM 74 N THR A 7 6.410 -10.264 8.092 1.00 0.00 N ATOM 75 CA THR A 7 7.303 -9.179 7.709 1.00 0.00 C ATOM 76 C THR A 7 7.265 -8.058 8.744 1.00 0.00 C ATOM 77 O THR A 7 6.270 -7.883 9.449 1.00 0.00 O ATOM 78 CB THR A 7 6.894 -8.631 6.338 1.00 0.00 C ATOM 79 OG1 THR A 7 5.557 -8.177 6.413 1.00 0.00 O ATOM 80 CG2 THR A 7 6.981 -9.740 5.289 1.00 0.00 C ATOM 0 H THR A 7 5.424 -10.100 7.891 1.00 0.00 H new ATOM 0 HA THR A 7 8.320 -9.569 7.657 1.00 0.00 H new ATOM 0 HB THR A 7 7.560 -7.815 6.058 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.689 -9.344 4.316 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.004 -10.112 5.237 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.312 -10.555 5.565 1.00 0.00 H new ATOM 87 N LYS A 8 8.355 -7.302 8.828 1.00 0.00 N ATOM 88 CA LYS A 8 8.437 -6.199 9.778 1.00 0.00 C ATOM 89 C LYS A 8 7.720 -4.970 9.231 1.00 0.00 C ATOM 90 O LYS A 8 7.977 -4.538 8.107 1.00 0.00 O ATOM 91 CB LYS A 8 9.902 -5.857 10.056 1.00 0.00 C ATOM 92 CG LYS A 8 10.296 -6.381 11.440 1.00 0.00 C ATOM 93 CD LYS A 8 9.671 -5.493 12.518 1.00 0.00 C ATOM 94 CE LYS A 8 9.032 -6.371 13.595 1.00 0.00 C ATOM 95 NZ LYS A 8 7.784 -6.983 13.060 1.00 0.00 N ATOM 0 H LYS A 8 9.188 -7.432 8.254 1.00 0.00 H new ATOM 0 HA LYS A 8 7.954 -6.505 10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.541 -6.300 9.292 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.050 -4.778 10.008 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.958 -7.410 11.561 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.381 -6.387 11.543 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.432 -4.851 12.962 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.920 -4.838 12.075 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.728 -7.150 13.904 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.807 -5.775 14.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.212 -7.350 13.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.239 -6.264 12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.028 -7.762 12.416 1.00 0.00 H new ATOM 109 N LYS A 9 6.818 -4.413 10.033 1.00 0.00 N ATOM 110 CA LYS A 9 6.066 -3.234 9.620 1.00 0.00 C ATOM 111 C LYS A 9 7.006 -2.052 9.400 1.00 0.00 C ATOM 112 O LYS A 9 8.092 -1.994 9.976 1.00 0.00 O ATOM 113 CB LYS A 9 5.031 -2.873 10.686 1.00 0.00 C ATOM 114 CG LYS A 9 5.386 -1.521 11.308 1.00 0.00 C ATOM 115 CD LYS A 9 4.408 -1.206 12.441 1.00 0.00 C ATOM 116 CE LYS A 9 3.181 -0.492 11.873 1.00 0.00 C ATOM 117 NZ LYS A 9 3.601 0.793 11.245 1.00 0.00 N ATOM 0 H LYS A 9 6.591 -4.756 10.966 1.00 0.00 H new ATOM 0 HA LYS A 9 5.557 -3.460 8.683 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.036 -2.831 10.242 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.004 -3.643 11.457 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.407 -1.542 11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.345 -0.739 10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.107 -2.126 12.942 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.892 -0.579 13.190 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.687 -1.125 11.136 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.458 -0.302 12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.024 1.570 11.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.604 0.971 11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.469 0.736 10.215 1.00 0.00 H new ATOM 131 N PRO A 10 6.604 -1.118 8.582 1.00 0.00 N ATOM 132 CA PRO A 10 7.418 0.087 8.267 1.00 0.00 C ATOM 133 C PRO A 10 8.034 0.704 9.521 1.00 0.00 C ATOM 134 O PRO A 10 7.521 0.512 10.624 1.00 0.00 O ATOM 135 CB PRO A 10 6.424 1.061 7.612 1.00 0.00 C ATOM 136 CG PRO A 10 5.091 0.373 7.584 1.00 0.00 C ATOM 137 CD PRO A 10 5.330 -1.108 7.866 1.00 0.00 C ATOM 0 HA PRO A 10 8.261 -0.156 7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.366 1.991 8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.746 1.320 6.603 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.423 0.802 8.331 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.612 0.506 6.614 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.528 -1.536 8.467 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.383 -1.689 6.945 1.00 0.00 H new HETATM 145 N NH2 A 11 9.108 1.436 9.416 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 0.739 -15.814 8.701 1.00 0.00 O HETATM 150 C1 A2G A 101 1.931 -16.482 9.073 1.00 0.00 C HETATM 151 C2 A2G A 101 1.922 -16.694 10.592 1.00 0.00 C HETATM 152 N2 A2G A 101 3.121 -17.414 11.006 1.00 0.00 N HETATM 153 C3 A2G A 101 0.674 -17.480 10.991 1.00 0.00 C HETATM 154 O3 A2G A 101 0.608 -17.584 12.406 1.00 0.00 O HETATM 155 C4 A2G A 101 -0.565 -16.752 10.477 1.00 0.00 C HETATM 156 O4 A2G A 101 -0.672 -15.488 11.115 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.436 -16.554 8.968 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.637 -15.763 8.447 1.00 0.00 C HETATM 159 O6 A2G A 101 -2.763 -16.009 9.277 1.00 0.00 O HETATM 160 C7 A2G A 101 3.990 -16.871 11.852 1.00 0.00 C HETATM 161 O7 A2G A 101 3.845 -15.747 12.333 1.00 0.00 O HETATM 162 C8 A2G A 101 5.210 -17.717 12.199 1.00 0.00 C HETATM 0 HO4 A2G A 101 -0.221 -14.808 10.572 1.00 0.00 H new HETATM 0 HO3 A2G A 101 0.092 -16.833 12.766 1.00 0.00 H new HETATM 0 HN2 A2G A 101 3.295 -18.350 10.640 1.00 0.00 H new HETATM 0 H8B A2G A 101 4.886 -18.651 12.659 1.00 0.00 H new HETATM 0 H8A A2G A 101 5.772 -17.935 11.291 1.00 0.00 H new HETATM 0 H8 A2G A 101 5.846 -17.170 12.896 1.00 0.00 H new HETATM 0 H6 A2G A 101 -1.859 -16.053 7.420 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.395 -17.527 8.478 1.00 0.00 H new HETATM 0 H4 A2G A 101 -1.456 -17.341 10.696 1.00 0.00 H new HETATM 0 H3 A2G A 101 0.719 -18.479 10.558 1.00 0.00 H new HETATM 0 H2 A2G A 101 1.910 -15.724 11.089 1.00 0.00 H new HETATM 0 H15 A2G A 101 -3.532 -15.501 8.944 1.00 0.00 H new HETATM 0 H14 A2G A 101 -1.407 -14.698 8.435 1.00 0.00 H new HETATM 177 O A2G A 102 8.358 -13.399 4.167 1.00 0.00 O HETATM 178 C1 A2G A 102 7.005 -13.517 4.545 1.00 0.00 C HETATM 179 C2 A2G A 102 6.142 -12.954 3.415 1.00 0.00 C HETATM 180 N2 A2G A 102 4.730 -13.043 3.769 1.00 0.00 N HETATM 181 C3 A2G A 102 6.415 -13.746 2.136 1.00 0.00 C HETATM 182 O3 A2G A 102 5.710 -13.158 1.054 1.00 0.00 O HETATM 183 C4 A2G A 102 7.916 -13.730 1.838 1.00 0.00 C HETATM 184 O4 A2G A 102 8.320 -12.406 1.522 1.00 0.00 O HETATM 185 C5 A2G A 102 8.687 -14.219 3.066 1.00 0.00 C HETATM 186 C6 A2G A 102 10.191 -14.110 2.806 1.00 0.00 C HETATM 187 O6 A2G A 102 10.431 -14.126 1.408 1.00 0.00 O HETATM 188 C7 A2G A 102 3.984 -11.951 3.899 1.00 0.00 C HETATM 189 O7 A2G A 102 4.426 -10.815 3.733 1.00 0.00 O HETATM 190 C8 A2G A 102 2.547 -12.170 4.361 1.00 0.00 C HETATM 0 HO4 A2G A 102 8.622 -11.953 2.337 1.00 0.00 H new HETATM 0 HO3 A2G A 102 6.276 -12.485 0.622 1.00 0.00 H new HETATM 0 HN2 A2G A 102 4.308 -13.959 3.919 1.00 0.00 H new HETATM 0 H8B A2G A 102 2.027 -12.806 3.644 1.00 0.00 H new HETATM 0 H8A A2G A 102 2.549 -12.652 5.339 1.00 0.00 H new HETATM 0 H8 A2G A 102 2.037 -11.209 4.430 1.00 0.00 H new HETATM 0 H6 A2G A 102 10.715 -14.937 3.285 1.00 0.00 H new HETATM 0 H5 A2G A 102 8.424 -15.257 3.272 1.00 0.00 H new HETATM 0 H4 A2G A 102 8.126 -14.387 0.994 1.00 0.00 H new HETATM 0 H3 A2G A 102 6.082 -14.775 2.268 1.00 0.00 H new HETATM 0 H2 A2G A 102 6.391 -11.905 3.254 1.00 0.00 H new HETATM 0 H15 A2G A 102 11.394 -14.054 1.241 1.00 0.00 H new HETATM 0 H14 A2G A 102 10.581 -13.190 3.242 1.00 0.00 H new HETATM 205 O A2G A 103 6.696 -11.263 12.948 1.00 0.00 O HETATM 206 C1 A2G A 103 7.455 -11.542 11.793 1.00 0.00 C HETATM 207 C2 A2G A 103 8.903 -11.792 12.221 1.00 0.00 C HETATM 208 N2 A2G A 103 9.727 -12.083 11.054 1.00 0.00 N HETATM 209 C3 A2G A 103 8.941 -12.969 13.198 1.00 0.00 C HETATM 210 O3 A2G A 103 10.261 -13.125 13.701 1.00 0.00 O HETATM 211 C4 A2G A 103 7.982 -12.700 14.359 1.00 0.00 C HETATM 212 O4 A2G A 103 8.458 -11.601 15.121 1.00 0.00 O HETATM 213 C5 A2G A 103 6.593 -12.375 13.808 1.00 0.00 C HETATM 214 C6 A2G A 103 5.650 -12.020 14.960 1.00 0.00 C HETATM 215 O6 A2G A 103 6.195 -12.498 16.182 1.00 0.00 O HETATM 216 C7 A2G A 103 10.742 -11.295 10.716 1.00 0.00 C HETATM 217 O7 A2G A 103 11.048 -10.286 11.352 1.00 0.00 O HETATM 218 C8 A2G A 103 11.572 -11.742 9.517 1.00 0.00 C HETATM 0 HO4 A2G A 103 7.990 -11.573 15.982 1.00 0.00 H new HETATM 0 HO3 A2G A 103 10.360 -12.605 14.526 1.00 0.00 H new HETATM 0 HN2 A2G A 103 9.521 -12.906 10.487 1.00 0.00 H new HETATM 0 H8B A2G A 103 12.007 -12.721 9.720 1.00 0.00 H new HETATM 0 H8A A2G A 103 10.934 -11.804 8.636 1.00 0.00 H new HETATM 0 H8 A2G A 103 12.370 -11.021 9.337 1.00 0.00 H new HETATM 0 H6 A2G A 103 4.668 -12.462 14.790 1.00 0.00 H new HETATM 0 H5 A2G A 103 6.203 -13.239 13.270 1.00 0.00 H new HETATM 0 H4 A2G A 103 7.923 -13.584 14.994 1.00 0.00 H new HETATM 0 H3 A2G A 103 8.639 -13.880 12.681 1.00 0.00 H new HETATM 0 H2 A2G A 103 9.297 -10.901 12.710 1.00 0.00 H new HETATM 0 H15 A2G A 103 5.593 -12.270 16.920 1.00 0.00 H new HETATM 0 H14 A2G A 103 5.510 -10.940 15.010 1.00 0.00 H new HETATM 233 O A2G A 104 5.805 -6.237 5.131 1.00 0.00 O HETATM 234 C1 A2G A 104 5.459 -6.768 6.392 1.00 0.00 C HETATM 235 C2 A2G A 104 4.006 -6.383 6.696 1.00 0.00 C HETATM 236 N2 A2G A 104 3.604 -6.927 7.990 1.00 0.00 N HETATM 237 C3 A2G A 104 3.098 -6.929 5.592 1.00 0.00 C HETATM 238 O3 A2G A 104 1.773 -6.459 5.795 1.00 0.00 O HETATM 239 C4 A2G A 104 3.604 -6.453 4.230 1.00 0.00 C HETATM 240 O4 A2G A 104 3.459 -5.044 4.137 1.00 0.00 O HETATM 241 C5 A2G A 104 5.079 -6.826 4.077 1.00 0.00 C HETATM 242 C6 A2G A 104 5.612 -6.284 2.750 1.00 0.00 C HETATM 243 O6 A2G A 104 4.571 -6.287 1.784 1.00 0.00 O HETATM 244 C7 A2G A 104 3.463 -6.136 9.050 1.00 0.00 C HETATM 245 O7 A2G A 104 3.670 -4.920 9.009 1.00 0.00 O HETATM 246 C8 A2G A 104 2.873 -6.787 10.303 1.00 0.00 C HETATM 0 HO4 A2G A 104 4.217 -4.607 4.579 1.00 0.00 H new HETATM 0 HO3 A2G A 104 1.650 -5.611 5.319 1.00 0.00 H new HETATM 0 HN2 A2G A 104 3.429 -7.928 8.082 1.00 0.00 H new HETATM 0 H8B A2G A 104 1.878 -7.171 10.079 1.00 0.00 H new HETATM 0 H8A A2G A 104 3.515 -7.608 10.623 1.00 0.00 H new HETATM 0 H8 A2G A 104 2.806 -6.047 11.100 1.00 0.00 H new HETATM 0 H6 A2G A 104 6.445 -6.895 2.404 1.00 0.00 H new HETATM 0 H5 A2G A 104 5.187 -7.910 4.098 1.00 0.00 H new HETATM 0 H4 A2G A 104 3.025 -6.930 3.439 1.00 0.00 H new HETATM 0 H3 A2G A 104 3.107 -8.019 5.621 1.00 0.00 H new HETATM 0 H2 A2G A 104 3.919 -5.297 6.733 1.00 0.00 H new HETATM 0 H15 A2G A 104 4.912 -5.938 0.934 1.00 0.00 H new HETATM 0 H14 A2G A 104 5.994 -5.272 2.885 1.00 0.00 H new