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+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= -0.0168 (180deg=-0.348) USER MOD Single : A 101 A2G O3 : rot 93:sc= 0.0511 USER MOD Single : A 101 A2G O4 : rot 91:sc= 0.0617 USER MOD Single : A 101 A2G O6 : rot 180:sc= -0.0314 USER MOD Single : A 102 A2G O3 : rot 87:sc= 0.0367 USER MOD Single : A 102 A2G O4 : rot -172:sc= 0.58 USER MOD Single : A 102 A2G O6 : rot 180:sc= 0.454 USER MOD Single : A 103 A2G O3 : rot 90:sc= 0.0656 USER MOD Single : A 103 A2G O4 : rot 100:sc= 0.117 USER MOD Single : A 103 A2G O6 : rot 180:sc= -0.0598 USER MOD Single : A 104 A2G O3 : rot 95:sc= 0.0612 USER MOD Single : A 104 A2G O4 : rot -166:sc= 0.61 USER MOD Single : A 104 A2G O6 : rot 180:sc= 0.451 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 0.453 -20.531 11.708 1.00 0.00 C HETATM 2 O ACE A 1 1.661 -20.761 11.656 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.133 -19.668 12.821 1.00 0.00 C HETATM 0 H1 ACE A 1 -0.626 -18.798 12.386 1.00 0.00 H new HETATM 0 H2 ACE A 1 -0.859 -20.250 13.389 1.00 0.00 H new HETATM 0 H3 ACE A 1 0.666 -19.338 13.485 1.00 0.00 H new ATOM 7 N PRO A 2 -0.383 -21.006 10.825 1.00 0.00 N ATOM 8 CA PRO A 2 0.042 -21.867 9.689 1.00 0.00 C ATOM 9 C PRO A 2 1.297 -21.331 9.005 1.00 0.00 C ATOM 10 O PRO A 2 1.647 -20.161 9.155 1.00 0.00 O ATOM 11 CB PRO A 2 -1.155 -21.848 8.725 1.00 0.00 C ATOM 12 CG PRO A 2 -2.206 -20.975 9.348 1.00 0.00 C ATOM 13 CD PRO A 2 -1.826 -20.774 10.813 1.00 0.00 C ATOM 0 HA PRO A 2 0.301 -22.872 10.021 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -0.859 -21.460 7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.537 -22.856 8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.264 -20.017 8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.188 -21.440 9.267 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.074 -19.770 11.158 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.351 -21.474 11.464 1.00 0.00 H new ATOM 21 N PRO A 3 1.971 -22.167 8.263 1.00 0.00 N ATOM 22 CA PRO A 3 3.210 -21.784 7.536 1.00 0.00 C ATOM 23 C PRO A 3 3.066 -20.438 6.831 1.00 0.00 C ATOM 24 O PRO A 3 2.555 -20.362 5.714 1.00 0.00 O ATOM 25 CB PRO A 3 3.423 -22.916 6.518 1.00 0.00 C ATOM 26 CG PRO A 3 2.299 -23.892 6.704 1.00 0.00 C ATOM 27 CD PRO A 3 1.625 -23.569 8.036 1.00 0.00 C ATOM 0 HA PRO A 3 4.054 -21.664 8.215 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.429 -22.524 5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.386 -23.402 6.678 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.585 -23.815 5.884 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.676 -24.915 6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.546 -23.713 7.985 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.994 -24.208 8.838 1.00 0.00 H new ATOM 35 N THR A 4 3.524 -19.380 7.492 1.00 0.00 N ATOM 36 CA THR A 4 3.459 -18.042 6.914 1.00 0.00 C ATOM 37 C THR A 4 4.666 -17.212 7.340 1.00 0.00 C ATOM 38 O THR A 4 5.433 -17.615 8.213 1.00 0.00 O ATOM 39 CB THR A 4 2.174 -17.341 7.361 1.00 0.00 C ATOM 40 OG1 THR A 4 2.142 -17.314 8.772 1.00 0.00 O ATOM 41 CG2 THR A 4 0.957 -18.119 6.856 1.00 0.00 C ATOM 0 H THR A 4 3.941 -19.422 8.422 1.00 0.00 H new ATOM 0 HA THR A 4 3.463 -18.137 5.828 1.00 0.00 H new ATOM 0 HB THR A 4 2.151 -16.329 6.958 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.045 -17.616 7.177 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.982 -18.166 5.767 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.977 -19.130 7.264 1.00 0.00 H new ATOM 48 N THR A 5 4.825 -16.050 6.715 1.00 0.00 N ATOM 49 CA THR A 5 5.941 -15.166 7.034 1.00 0.00 C ATOM 50 C THR A 5 5.460 -13.725 7.177 1.00 0.00 C ATOM 51 O THR A 5 4.600 -13.269 6.422 1.00 0.00 O ATOM 52 CB THR A 5 7.010 -15.259 5.941 1.00 0.00 C ATOM 53 OG1 THR A 5 6.470 -14.729 4.749 1.00 0.00 O ATOM 54 CG2 THR A 5 7.381 -16.724 5.703 1.00 0.00 C ATOM 0 H THR A 5 4.200 -15.700 5.989 1.00 0.00 H new ATOM 0 HA THR A 5 6.374 -15.481 7.984 1.00 0.00 H new ATOM 0 HB THR A 5 7.899 -14.706 6.245 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.142 -16.785 4.925 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.770 -17.155 6.625 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.496 -17.277 5.389 1.00 0.00 H new ATOM 61 N THR A 6 6.029 -13.012 8.146 1.00 0.00 N ATOM 62 CA THR A 6 5.662 -11.618 8.382 1.00 0.00 C ATOM 63 C THR A 6 6.740 -10.674 7.860 1.00 0.00 C ATOM 64 O THR A 6 7.889 -11.074 7.669 1.00 0.00 O ATOM 65 CB THR A 6 5.456 -11.381 9.880 1.00 0.00 C ATOM 66 OG1 THR A 6 6.703 -11.501 10.530 1.00 0.00 O ATOM 67 CG2 THR A 6 4.502 -12.434 10.446 1.00 0.00 C ATOM 0 H THR A 6 6.743 -13.374 8.778 1.00 0.00 H new ATOM 0 HA THR A 6 4.734 -11.415 7.847 1.00 0.00 H new ATOM 0 HB THR A 6 5.034 -10.388 10.038 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.359 -12.260 11.513 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.541 -12.366 9.936 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.925 -13.427 10.294 1.00 0.00 H new ATOM 74 N THR A 7 6.363 -9.420 7.632 1.00 0.00 N ATOM 75 CA THR A 7 7.304 -8.424 7.132 1.00 0.00 C ATOM 76 C THR A 7 7.093 -7.087 7.835 1.00 0.00 C ATOM 77 O THR A 7 5.978 -6.755 8.238 1.00 0.00 O ATOM 78 CB THR A 7 7.122 -8.243 5.623 1.00 0.00 C ATOM 79 OG1 THR A 7 5.801 -7.813 5.376 1.00 0.00 O ATOM 80 CG2 THR A 7 7.347 -9.577 4.908 1.00 0.00 C ATOM 0 H THR A 7 5.417 -9.070 7.785 1.00 0.00 H new ATOM 0 HA THR A 7 8.316 -8.774 7.336 1.00 0.00 H new ATOM 0 HB THR A 7 7.839 -7.509 5.255 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.216 -9.441 3.834 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.358 -9.931 5.108 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.627 -10.311 5.271 1.00 0.00 H new ATOM 87 N LYS A 8 8.171 -6.323 7.977 1.00 0.00 N ATOM 88 CA LYS A 8 8.095 -5.023 8.631 1.00 0.00 C ATOM 89 C LYS A 8 7.299 -5.119 9.929 1.00 0.00 C ATOM 90 O LYS A 8 7.331 -6.142 10.613 1.00 0.00 O ATOM 91 CB LYS A 8 7.430 -4.008 7.698 1.00 0.00 C ATOM 92 CG LYS A 8 7.938 -2.602 8.025 1.00 0.00 C ATOM 93 CD LYS A 8 9.220 -2.324 7.237 1.00 0.00 C ATOM 94 CE LYS A 8 8.863 -1.718 5.879 1.00 0.00 C ATOM 95 NZ LYS A 8 10.079 -1.679 5.018 1.00 0.00 N ATOM 0 H LYS A 8 9.102 -6.580 7.650 1.00 0.00 H new ATOM 0 HA LYS A 8 9.108 -4.696 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.652 -4.254 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.347 -4.050 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.178 -1.862 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.130 -2.513 9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.861 -1.641 7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.782 -3.248 7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.083 -2.309 5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.465 -0.712 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.837 -1.267 4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.810 -1.098 5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.440 -2.645 4.882 1.00 0.00 H new ATOM 109 N LYS A 9 6.586 -4.049 10.262 1.00 0.00 N ATOM 110 CA LYS A 9 5.786 -4.024 11.481 1.00 0.00 C ATOM 111 C LYS A 9 6.293 -5.064 12.475 1.00 0.00 C ATOM 112 O LYS A 9 5.567 -5.985 12.852 1.00 0.00 O ATOM 113 CB LYS A 9 4.319 -4.305 11.149 1.00 0.00 C ATOM 114 CG LYS A 9 3.429 -3.765 12.270 1.00 0.00 C ATOM 115 CD LYS A 9 1.967 -4.100 11.967 1.00 0.00 C ATOM 116 CE LYS A 9 1.360 -4.855 13.150 1.00 0.00 C ATOM 117 NZ LYS A 9 1.385 -3.986 14.360 1.00 0.00 N ATOM 0 H LYS A 9 6.545 -3.193 9.709 1.00 0.00 H new ATOM 0 HA LYS A 9 5.873 -3.035 11.931 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.053 -3.836 10.202 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.161 -5.377 11.029 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.723 -4.202 13.224 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.555 -2.686 12.361 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.405 -3.185 11.779 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.902 -4.706 11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.335 -5.148 12.921 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.920 -5.772 13.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.615 -4.263 15.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.298 -4.094 14.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.259 -2.993 14.077 1.00 0.00 H new ATOM 131 N PRO A 10 7.519 -4.930 12.901 1.00 0.00 N ATOM 132 CA PRO A 10 8.149 -5.867 13.869 1.00 0.00 C ATOM 133 C PRO A 10 7.215 -6.201 15.029 1.00 0.00 C ATOM 134 O PRO A 10 6.767 -7.340 15.159 1.00 0.00 O ATOM 135 CB PRO A 10 9.396 -5.123 14.369 1.00 0.00 C ATOM 136 CG PRO A 10 9.425 -3.795 13.670 1.00 0.00 C ATOM 137 CD PRO A 10 8.441 -3.868 12.505 1.00 0.00 C ATOM 0 HA PRO A 10 8.388 -6.824 13.405 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.357 -4.989 15.450 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.299 -5.693 14.151 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.148 -2.995 14.356 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.430 -3.573 13.310 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.922 -2.921 12.358 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.946 -4.104 11.568 1.00 0.00 H new HETATM 145 N NH2 A 11 6.897 -5.270 15.887 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 1.010 -15.294 9.062 1.00 0.00 O HETATM 150 C1 A2G A 101 2.208 -16.003 9.286 1.00 0.00 C HETATM 151 C2 A2G A 101 2.436 -16.091 10.797 1.00 0.00 C HETATM 152 N2 A2G A 101 3.672 -16.812 11.076 1.00 0.00 N HETATM 153 C3 A2G A 101 1.249 -16.811 11.441 1.00 0.00 C HETATM 154 O3 A2G A 101 1.390 -16.783 12.854 1.00 0.00 O HETATM 155 C4 A2G A 101 -0.051 -16.107 11.045 1.00 0.00 C HETATM 156 O4 A2G A 101 -0.078 -14.807 11.617 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.125 -15.995 9.521 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.380 -15.214 9.122 1.00 0.00 C HETATM 159 O6 A2G A 101 -2.372 -15.370 10.124 1.00 0.00 O HETATM 160 C7 A2G A 101 4.664 -16.239 11.748 1.00 0.00 C HETATM 161 O7 A2G A 101 4.608 -15.084 12.172 1.00 0.00 O HETATM 162 C8 A2G A 101 5.881 -17.114 12.028 1.00 0.00 C HETATM 0 HO4 A2G A 101 0.312 -14.165 10.988 1.00 0.00 H new HETATM 0 HO3 A2G A 101 0.912 -16.008 13.215 1.00 0.00 H new HETATM 0 HN2 A2G A 101 3.777 -17.773 10.750 1.00 0.00 H new HETATM 0 H8B A2G A 101 5.579 -17.979 12.618 1.00 0.00 H new HETATM 0 H8A A2G A 101 6.312 -17.450 11.085 1.00 0.00 H new HETATM 0 H8 A2G A 101 6.623 -16.539 12.581 1.00 0.00 H new HETATM 0 H6 A2G A 101 -1.756 -15.573 8.164 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.160 -16.992 9.083 1.00 0.00 H new HETATM 0 H4 A2G A 101 -0.902 -16.682 11.409 1.00 0.00 H new HETATM 0 H3 A2G A 101 1.221 -17.845 11.098 1.00 0.00 H new HETATM 0 H2 A2G A 101 2.521 -15.087 11.212 1.00 0.00 H new HETATM 0 H15 A2G A 101 -3.175 -14.869 9.870 1.00 0.00 H new HETATM 0 H14 A2G A 101 -1.139 -14.159 8.994 1.00 0.00 H new HETATM 177 O A2G A 102 8.543 -14.060 3.851 1.00 0.00 O HETATM 178 C1 A2G A 102 7.227 -13.666 4.202 1.00 0.00 C HETATM 179 C2 A2G A 102 6.507 -13.146 2.952 1.00 0.00 C HETATM 180 N2 A2G A 102 5.129 -12.799 3.278 1.00 0.00 N HETATM 181 C3 A2G A 102 6.532 -14.213 1.858 1.00 0.00 C HETATM 182 O3 A2G A 102 5.974 -13.682 0.665 1.00 0.00 O HETATM 183 C4 A2G A 102 7.975 -14.634 1.602 1.00 0.00 C HETATM 184 O4 A2G A 102 8.711 -13.527 1.104 1.00 0.00 O HETATM 185 C5 A2G A 102 8.595 -15.113 2.914 1.00 0.00 C HETATM 186 C6 A2G A 102 10.061 -15.487 2.681 1.00 0.00 C HETATM 187 O6 A2G A 102 10.306 -15.598 1.288 1.00 0.00 O HETATM 188 C7 A2G A 102 4.691 -11.548 3.169 1.00 0.00 C HETATM 189 O7 A2G A 102 5.405 -10.619 2.794 1.00 0.00 O HETATM 190 C8 A2G A 102 3.267 -11.292 3.650 1.00 0.00 C HETATM 0 HO4 A2G A 102 9.603 -13.825 0.828 1.00 0.00 H new HETATM 0 HO3 A2G A 102 6.674 -13.229 0.150 1.00 0.00 H new HETATM 0 HN2 A2G A 102 4.490 -13.528 3.595 1.00 0.00 H new HETATM 0 H8B A2G A 102 2.573 -11.906 3.075 1.00 0.00 H new HETATM 0 H8A A2G A 102 3.188 -11.548 4.707 1.00 0.00 H new HETATM 0 H8 A2G A 102 3.020 -10.239 3.512 1.00 0.00 H new HETATM 0 H6 A2G A 102 10.290 -16.430 3.177 1.00 0.00 H new HETATM 0 H5 A2G A 102 8.047 -15.980 3.282 1.00 0.00 H new HETATM 0 H4 A2G A 102 7.999 -15.440 0.869 1.00 0.00 H new HETATM 0 H3 A2G A 102 5.949 -15.077 2.175 1.00 0.00 H new HETATM 0 H2 A2G A 102 7.020 -12.254 2.592 1.00 0.00 H new HETATM 0 H15 A2G A 102 11.245 -15.836 1.139 1.00 0.00 H new HETATM 0 H14 A2G A 102 10.714 -14.731 3.117 1.00 0.00 H new HETATM 205 O A2G A 103 6.430 -9.750 12.047 1.00 0.00 O HETATM 206 C1 A2G A 103 7.198 -10.260 10.980 1.00 0.00 C HETATM 207 C2 A2G A 103 8.630 -10.467 11.478 1.00 0.00 C HETATM 208 N2 A2G A 103 9.464 -10.988 10.401 1.00 0.00 N HETATM 209 C3 A2G A 103 8.616 -11.445 12.654 1.00 0.00 C HETATM 210 O3 A2G A 103 9.922 -11.542 13.204 1.00 0.00 O HETATM 211 C4 A2G A 103 7.647 -10.940 13.726 1.00 0.00 C HETATM 212 O4 A2G A 103 8.146 -9.733 14.283 1.00 0.00 O HETATM 213 C5 A2G A 103 6.278 -10.682 13.095 1.00 0.00 C HETATM 214 C6 A2G A 103 5.330 -10.094 14.141 1.00 0.00 C HETATM 215 O6 A2G A 103 5.770 -10.464 15.441 1.00 0.00 O HETATM 216 C7 A2G A 103 10.529 -10.318 9.973 1.00 0.00 C HETATM 217 O7 A2G A 103 10.876 -9.235 10.445 1.00 0.00 O HETATM 218 C8 A2G A 103 11.307 -10.954 8.825 1.00 0.00 C HETATM 0 HO4 A2G A 103 7.682 -8.970 13.880 1.00 0.00 H new HETATM 0 HO3 A2G A 103 10.030 -10.871 13.910 1.00 0.00 H new HETATM 0 HN2 A2G A 103 9.226 -11.881 9.969 1.00 0.00 H new HETATM 0 H8B A2G A 103 11.672 -11.934 9.132 1.00 0.00 H new HETATM 0 H8A A2G A 103 10.653 -11.064 7.960 1.00 0.00 H new HETATM 0 H8 A2G A 103 12.153 -10.318 8.562 1.00 0.00 H new HETATM 0 H6 A2G A 103 4.316 -10.456 13.972 1.00 0.00 H new HETATM 0 H5 A2G A 103 5.869 -11.619 12.717 1.00 0.00 H new HETATM 0 H4 A2G A 103 7.550 -11.690 14.511 1.00 0.00 H new HETATM 0 H3 A2G A 103 8.294 -12.427 12.307 1.00 0.00 H new HETATM 0 H2 A2G A 103 9.043 -9.513 11.805 1.00 0.00 H new HETATM 0 H15 A2G A 103 5.164 -10.086 16.112 1.00 0.00 H new HETATM 0 H14 A2G A 103 5.300 -9.008 14.051 1.00 0.00 H new HETATM 233 O A2G A 104 6.291 -6.272 3.695 1.00 0.00 O HETATM 234 C1 A2G A 104 5.738 -6.462 4.977 1.00 0.00 C HETATM 235 C2 A2G A 104 4.271 -6.050 4.922 1.00 0.00 C HETATM 236 N2 A2G A 104 3.661 -6.182 6.239 1.00 0.00 N HETATM 237 C3 A2G A 104 3.550 -6.940 3.910 1.00 0.00 C HETATM 238 O3 A2G A 104 2.205 -6.507 3.767 1.00 0.00 O HETATM 239 C4 A2G A 104 4.262 -6.847 2.557 1.00 0.00 C HETATM 240 O4 A2G A 104 4.109 -5.536 2.033 1.00 0.00 O HETATM 241 C5 A2G A 104 5.752 -7.155 2.736 1.00 0.00 C HETATM 242 C6 A2G A 104 6.484 -6.941 1.409 1.00 0.00 C HETATM 243 O6 A2G A 104 5.542 -6.929 0.346 1.00 0.00 O HETATM 244 C7 A2G A 104 3.118 -5.135 6.853 1.00 0.00 C HETATM 245 O7 A2G A 104 3.097 -4.009 6.358 1.00 0.00 O HETATM 246 C8 A2G A 104 2.332 -5.440 8.125 1.00 0.00 C HETATM 0 HO4 A2G A 104 4.359 -5.531 1.085 1.00 0.00 H new HETATM 0 HO3 A2G A 104 2.136 -5.902 2.999 1.00 0.00 H new HETATM 0 HN2 A2G A 104 3.650 -7.093 6.698 1.00 0.00 H new HETATM 0 H8B A2G A 104 1.508 -6.114 7.891 1.00 0.00 H new HETATM 0 H8A A2G A 104 2.990 -5.911 8.855 1.00 0.00 H new HETATM 0 H8 A2G A 104 1.936 -4.513 8.539 1.00 0.00 H new HETATM 0 H6 A2G A 104 7.215 -7.734 1.253 1.00 0.00 H new HETATM 0 H5 A2G A 104 5.872 -8.188 3.061 1.00 0.00 H new HETATM 0 H4 A2G A 104 3.825 -7.569 1.868 1.00 0.00 H new HETATM 0 H3 A2G A 104 3.561 -7.972 4.260 1.00 0.00 H new HETATM 0 H2 A2G A 104 4.192 -5.007 4.615 1.00 0.00 H new HETATM 0 H15 A2G A 104 6.010 -6.790 -0.504 1.00 0.00 H new HETATM 0 H14 A2G A 104 7.034 -6.000 1.432 1.00 0.00 H new