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+ 171:sc= 0 (180deg=-0.124) USER MOD Single : A 9 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.219) USER MOD Single : A 101 A2G O3 : rot 94:sc= 0.0469 USER MOD Single : A 101 A2G O4 : rot 86:sc= 0.0638 USER MOD Single : A 101 A2G O6 : rot 180:sc= -0.0388 USER MOD Single : A 102 A2G O3 : rot 93:sc= 0.0518 USER MOD Single : A 102 A2G O4 : rot 87:sc= 0.0663 USER MOD Single : A 102 A2G O6 : rot 180:sc= -0.0476 USER MOD Single : A 103 A2G O3 : rot 84:sc= 0.061 USER MOD Single : A 103 A2G O4 : rot -174:sc= 0.624 USER MOD Single : A 103 A2G O6 : rot 180:sc= 0.525 USER MOD Single : A 104 A2G O3 : rot 85:sc= 0.0583 USER MOD Single : A 104 A2G O4 : rot 82:sc= 0.062 USER MOD Single : A 104 A2G O6 : rot 180:sc= -0.064 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 -1.373 -21.719 7.953 1.00 0.00 C HETATM 2 O ACE A 1 -0.878 -20.669 7.546 1.00 0.00 O HETATM 3 CH3 ACE A 1 -2.364 -22.501 7.099 1.00 0.00 C HETATM 0 H1 ACE A 1 -1.969 -23.498 6.904 1.00 0.00 H new HETATM 0 H2 ACE A 1 -3.314 -22.584 7.627 1.00 0.00 H new HETATM 0 H3 ACE A 1 -2.519 -21.981 6.154 1.00 0.00 H new ATOM 7 N PRO A 2 -1.080 -22.217 9.124 1.00 0.00 N ATOM 8 CA PRO A 2 -0.130 -21.565 10.066 1.00 0.00 C ATOM 9 C PRO A 2 1.133 -21.080 9.361 1.00 0.00 C ATOM 10 O PRO A 2 1.510 -19.913 9.471 1.00 0.00 O ATOM 11 CB PRO A 2 0.204 -22.660 11.091 1.00 0.00 C ATOM 12 CG PRO A 2 -0.562 -23.886 10.690 1.00 0.00 C ATOM 13 CD PRO A 2 -1.621 -23.456 9.678 1.00 0.00 C ATOM 0 HA PRO A 2 -0.564 -20.676 10.523 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.275 -22.862 11.104 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -0.073 -22.344 12.097 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.105 -24.629 10.254 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.029 -24.348 11.560 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.768 -24.211 8.905 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.588 -23.294 10.153 1.00 0.00 H new ATOM 21 N PRO A 3 1.785 -21.953 8.643 1.00 0.00 N ATOM 22 CA PRO A 3 3.035 -21.628 7.906 1.00 0.00 C ATOM 23 C PRO A 3 2.930 -20.299 7.162 1.00 0.00 C ATOM 24 O PRO A 3 2.489 -20.253 6.013 1.00 0.00 O ATOM 25 CB PRO A 3 3.213 -22.793 6.920 1.00 0.00 C ATOM 26 CG PRO A 3 2.059 -23.729 7.131 1.00 0.00 C ATOM 27 CD PRO A 3 1.400 -23.352 8.456 1.00 0.00 C ATOM 0 HA PRO A 3 3.882 -21.515 8.582 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.231 -22.429 5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.160 -23.304 7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.345 -23.649 6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.403 -24.763 7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.317 -23.468 8.413 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.755 -23.979 9.274 1.00 0.00 H new ATOM 35 N THR A 4 3.337 -19.222 7.825 1.00 0.00 N ATOM 36 CA THR A 4 3.286 -17.898 7.216 1.00 0.00 C ATOM 37 C THR A 4 4.464 -17.048 7.682 1.00 0.00 C ATOM 38 O THR A 4 4.896 -17.146 8.830 1.00 0.00 O ATOM 39 CB THR A 4 1.974 -17.202 7.585 1.00 0.00 C ATOM 40 OG1 THR A 4 1.860 -17.173 8.990 1.00 0.00 O ATOM 41 CG2 THR A 4 0.792 -17.985 7.009 1.00 0.00 C ATOM 0 H THR A 4 3.703 -19.239 8.777 1.00 0.00 H new ATOM 0 HA THR A 4 3.342 -18.015 6.134 1.00 0.00 H new ATOM 0 HB THR A 4 1.970 -16.190 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.140 -17.485 7.275 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.881 -18.033 5.924 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.791 -18.995 7.418 1.00 0.00 H new ATOM 48 N THR A 5 4.978 -16.214 6.783 1.00 0.00 N ATOM 49 CA THR A 5 6.107 -15.352 7.114 1.00 0.00 C ATOM 50 C THR A 5 5.643 -13.911 7.298 1.00 0.00 C ATOM 51 O THR A 5 4.781 -13.427 6.565 1.00 0.00 O ATOM 52 CB THR A 5 7.157 -15.415 6.003 1.00 0.00 C ATOM 53 OG1 THR A 5 6.555 -15.013 4.792 1.00 0.00 O ATOM 54 CG2 THR A 5 7.664 -16.850 5.849 1.00 0.00 C ATOM 0 H THR A 5 4.634 -16.117 5.828 1.00 0.00 H new ATOM 0 HA THR A 5 6.547 -15.703 8.048 1.00 0.00 H new ATOM 0 HB THR A 5 7.993 -14.761 6.252 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.411 -16.889 5.057 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.112 -17.180 6.786 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.831 -17.505 5.594 1.00 0.00 H new ATOM 61 N THR A 6 6.222 -13.228 8.281 1.00 0.00 N ATOM 62 CA THR A 6 5.862 -11.843 8.552 1.00 0.00 C ATOM 63 C THR A 6 6.945 -10.896 8.043 1.00 0.00 C ATOM 64 O THR A 6 8.127 -11.079 8.334 1.00 0.00 O ATOM 65 CB THR A 6 5.668 -11.637 10.056 1.00 0.00 C ATOM 66 OG1 THR A 6 6.895 -11.886 10.707 1.00 0.00 O ATOM 67 CG2 THR A 6 4.621 -12.620 10.584 1.00 0.00 C ATOM 0 H THR A 6 6.938 -13.609 8.899 1.00 0.00 H new ATOM 0 HA THR A 6 4.930 -11.623 8.032 1.00 0.00 H new ATOM 0 HB THR A 6 5.334 -10.617 10.245 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.487 -12.469 11.655 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.673 -12.452 10.073 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.956 -13.641 10.401 1.00 0.00 H new ATOM 74 N THR A 7 6.534 -9.889 7.282 1.00 0.00 N ATOM 75 CA THR A 7 7.479 -8.920 6.737 1.00 0.00 C ATOM 76 C THR A 7 7.465 -7.636 7.560 1.00 0.00 C ATOM 77 O THR A 7 6.415 -7.022 7.752 1.00 0.00 O ATOM 78 CB THR A 7 7.121 -8.601 5.284 1.00 0.00 C ATOM 79 OG1 THR A 7 5.858 -7.970 5.259 1.00 0.00 O ATOM 80 CG2 THR A 7 7.041 -9.895 4.472 1.00 0.00 C ATOM 0 H THR A 7 5.560 -9.722 7.029 1.00 0.00 H new ATOM 0 HA THR A 7 8.478 -9.353 6.778 1.00 0.00 H new ATOM 0 HB THR A 7 7.884 -7.951 4.855 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.786 -9.661 3.439 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.005 -10.403 4.502 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.275 -10.544 4.897 1.00 0.00 H new ATOM 87 N LYS A 8 8.636 -7.238 8.045 1.00 0.00 N ATOM 88 CA LYS A 8 8.747 -6.025 8.846 1.00 0.00 C ATOM 89 C LYS A 8 7.666 -5.991 9.921 1.00 0.00 C ATOM 90 O LYS A 8 6.886 -6.934 10.060 1.00 0.00 O ATOM 91 CB LYS A 8 8.616 -4.792 7.950 1.00 0.00 C ATOM 92 CG LYS A 8 9.803 -3.857 8.189 1.00 0.00 C ATOM 93 CD LYS A 8 9.593 -2.556 7.412 1.00 0.00 C ATOM 94 CE LYS A 8 10.610 -1.513 7.879 1.00 0.00 C ATOM 95 NZ LYS A 8 11.984 -1.961 7.515 1.00 0.00 N ATOM 0 H LYS A 8 9.516 -7.733 7.899 1.00 0.00 H new ATOM 0 HA LYS A 8 9.724 -6.021 9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.582 -5.093 6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.682 -4.272 8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.904 -3.645 9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.728 -4.338 7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.706 -2.736 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.579 -2.186 7.568 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.396 -0.549 7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.535 -1.374 8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.659 -1.190 7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.243 -2.788 8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.010 -2.218 6.508 1.00 0.00 H new ATOM 109 N LYS A 9 7.624 -4.901 10.679 1.00 0.00 N ATOM 110 CA LYS A 9 6.633 -4.757 11.740 1.00 0.00 C ATOM 111 C LYS A 9 6.751 -3.387 12.400 1.00 0.00 C ATOM 112 O LYS A 9 6.749 -3.273 13.625 1.00 0.00 O ATOM 113 CB LYS A 9 6.831 -5.850 12.791 1.00 0.00 C ATOM 114 CG LYS A 9 5.509 -6.586 13.016 1.00 0.00 C ATOM 115 CD LYS A 9 4.451 -5.599 13.511 1.00 0.00 C ATOM 116 CE LYS A 9 3.609 -6.258 14.606 1.00 0.00 C ATOM 117 NZ LYS A 9 2.977 -7.496 14.067 1.00 0.00 N ATOM 0 H LYS A 9 8.259 -4.109 10.580 1.00 0.00 H new ATOM 0 HA LYS A 9 5.640 -4.852 11.300 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.598 -6.551 12.462 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.179 -5.411 13.726 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.179 -7.054 12.088 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.645 -7.385 13.745 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.930 -4.700 13.898 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.812 -5.289 12.684 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.235 -6.500 15.465 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.842 -5.567 14.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.015 -7.590 14.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.933 -7.440 13.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.542 -8.324 14.345 1.00 0.00 H new ATOM 131 N PRO A 10 6.852 -2.355 11.608 1.00 0.00 N ATOM 132 CA PRO A 10 6.975 -0.958 12.108 1.00 0.00 C ATOM 133 C PRO A 10 5.993 -0.668 13.238 1.00 0.00 C ATOM 134 O PRO A 10 6.396 -0.547 14.396 1.00 0.00 O ATOM 135 CB PRO A 10 6.669 -0.083 10.881 1.00 0.00 C ATOM 136 CG PRO A 10 6.382 -1.014 9.739 1.00 0.00 C ATOM 137 CD PRO A 10 6.863 -2.404 10.147 1.00 0.00 C ATOM 0 HA PRO A 10 7.963 -0.767 12.527 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.815 0.566 11.074 1.00 0.00 H new ATOM 0 HB3 PRO A 10 7.515 0.564 10.648 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.315 -1.028 9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.893 -0.681 8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.204 -3.184 9.767 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.860 -2.613 9.760 1.00 0.00 H new HETATM 145 N NH2 A 11 4.721 -0.549 12.972 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 0.727 -15.143 9.199 1.00 0.00 O HETATM 150 C1 A2G A 101 1.901 -15.861 9.508 1.00 0.00 C HETATM 151 C2 A2G A 101 2.020 -15.952 11.030 1.00 0.00 C HETATM 152 N2 A2G A 101 3.226 -16.685 11.397 1.00 0.00 N HETATM 153 C3 A2G A 101 0.783 -16.660 11.589 1.00 0.00 C HETATM 154 O3 A2G A 101 0.823 -16.632 13.007 1.00 0.00 O HETATM 155 C4 A2G A 101 -0.478 -15.943 11.101 1.00 0.00 C HETATM 156 O4 A2G A 101 -0.535 -14.644 11.669 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.443 -15.832 9.575 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.657 -15.040 9.088 1.00 0.00 C HETATM 159 O6 A2G A 101 -2.755 -15.269 9.960 1.00 0.00 O HETATM 160 C7 A2G A 101 4.180 -16.115 12.125 1.00 0.00 C HETATM 161 O7 A2G A 101 4.113 -14.955 12.531 1.00 0.00 O HETATM 162 C8 A2G A 101 5.408 -16.972 12.413 1.00 0.00 C HETATM 0 HO4 A2G A 101 -0.027 -14.020 11.109 1.00 0.00 H new HETATM 0 HO3 A2G A 101 0.314 -15.861 13.333 1.00 0.00 H new HETATM 0 HN2 A2G A 101 3.339 -17.651 11.090 1.00 0.00 H new HETATM 0 H8B A2G A 101 5.108 -17.867 12.958 1.00 0.00 H new HETATM 0 H8A A2G A 101 5.879 -17.261 11.473 1.00 0.00 H new HETATM 0 H8 A2G A 101 6.117 -16.402 13.014 1.00 0.00 H new HETATM 0 H6 A2G A 101 -1.917 -15.340 8.073 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.458 -16.829 9.136 1.00 0.00 H new HETATM 0 H4 A2G A 101 -1.358 -16.510 11.404 1.00 0.00 H new HETATM 0 H3 A2G A 101 0.770 -17.694 11.246 1.00 0.00 H new HETATM 0 H2 A2G A 101 2.085 -14.948 11.449 1.00 0.00 H new HETATM 0 H15 A2G A 101 -3.532 -14.760 9.648 1.00 0.00 H new HETATM 0 H14 A2G A 101 -1.421 -13.976 9.055 1.00 0.00 H new HETATM 177 O A2G A 102 8.359 -13.778 3.976 1.00 0.00 O HETATM 178 C1 A2G A 102 7.003 -13.747 4.361 1.00 0.00 C HETATM 179 C2 A2G A 102 6.171 -13.333 3.145 1.00 0.00 C HETATM 180 N2 A2G A 102 4.757 -13.282 3.500 1.00 0.00 N HETATM 181 C3 A2G A 102 6.395 -14.342 2.017 1.00 0.00 C HETATM 182 O3 A2G A 102 5.729 -13.896 0.846 1.00 0.00 O HETATM 183 C4 A2G A 102 7.894 -14.467 1.736 1.00 0.00 C HETATM 184 O4 A2G A 102 8.380 -13.242 1.209 1.00 0.00 O HETATM 185 C5 A2G A 102 8.631 -14.793 3.036 1.00 0.00 C HETATM 186 C6 A2G A 102 10.139 -14.832 2.778 1.00 0.00 C HETATM 187 O6 A2G A 102 10.381 -15.270 1.449 1.00 0.00 O HETATM 188 C7 A2G A 102 4.066 -12.151 3.407 1.00 0.00 C HETATM 189 O7 A2G A 102 4.562 -11.092 3.022 1.00 0.00 O HETATM 190 C8 A2G A 102 2.615 -12.209 3.873 1.00 0.00 C HETATM 0 HO4 A2G A 102 8.636 -12.648 1.945 1.00 0.00 H new HETATM 0 HO3 A2G A 102 6.351 -13.379 0.292 1.00 0.00 H new HETATM 0 HN2 A2G A 102 4.291 -14.129 3.825 1.00 0.00 H new HETATM 0 H8B A2G A 102 2.071 -12.943 3.279 1.00 0.00 H new HETATM 0 H8A A2G A 102 2.582 -12.496 4.924 1.00 0.00 H new HETATM 0 H8 A2G A 102 2.154 -11.229 3.750 1.00 0.00 H new HETATM 0 H6 A2G A 102 10.623 -15.503 3.487 1.00 0.00 H new HETATM 0 H5 A2G A 102 8.300 -15.761 3.411 1.00 0.00 H new HETATM 0 H4 A2G A 102 8.063 -15.265 1.013 1.00 0.00 H new HETATM 0 H3 A2G A 102 5.999 -15.313 2.313 1.00 0.00 H new HETATM 0 H2 A2G A 102 6.480 -12.342 2.812 1.00 0.00 H new HETATM 0 H15 A2G A 102 11.347 -15.293 1.283 1.00 0.00 H new HETATM 0 H14 A2G A 102 10.570 -13.843 2.930 1.00 0.00 H new HETATM 205 O A2G A 103 6.621 -10.260 12.359 1.00 0.00 O HETATM 206 C1 A2G A 103 7.432 -10.728 11.306 1.00 0.00 C HETATM 207 C2 A2G A 103 8.805 -11.082 11.881 1.00 0.00 C HETATM 208 N2 A2G A 103 9.684 -11.566 10.822 1.00 0.00 N HETATM 209 C3 A2G A 103 8.638 -12.155 12.958 1.00 0.00 C HETATM 210 O3 A2G A 103 9.888 -12.395 13.586 1.00 0.00 O HETATM 211 C4 A2G A 103 7.626 -11.677 14.001 1.00 0.00 C HETATM 212 O4 A2G A 103 8.159 -10.562 14.702 1.00 0.00 O HETATM 213 C5 A2G A 103 6.328 -11.266 13.302 1.00 0.00 C HETATM 214 C6 A2G A 103 5.344 -10.704 14.331 1.00 0.00 C HETATM 215 O6 A2G A 103 5.783 -11.038 15.638 1.00 0.00 O HETATM 216 C7 A2G A 103 10.823 -10.943 10.535 1.00 0.00 C HETATM 217 O7 A2G A 103 11.204 -9.935 11.132 1.00 0.00 O HETATM 218 C8 A2G A 103 11.631 -11.518 9.377 1.00 0.00 C HETATM 0 HO4 A2G A 103 7.555 -10.317 15.434 1.00 0.00 H new HETATM 0 HO3 A2G A 103 10.029 -11.736 14.297 1.00 0.00 H new HETATM 0 HN2 A2G A 103 9.420 -12.397 10.292 1.00 0.00 H new HETATM 0 H8B A2G A 103 11.901 -12.550 9.599 1.00 0.00 H new HETATM 0 H8A A2G A 103 11.034 -11.487 8.466 1.00 0.00 H new HETATM 0 H8 A2G A 103 12.537 -10.928 9.237 1.00 0.00 H new HETATM 0 H6 A2G A 103 4.347 -11.109 14.156 1.00 0.00 H new HETATM 0 H5 A2G A 103 5.887 -12.133 12.811 1.00 0.00 H new HETATM 0 H4 A2G A 103 7.421 -12.484 14.704 1.00 0.00 H new HETATM 0 H3 A2G A 103 8.280 -13.077 12.500 1.00 0.00 H new HETATM 0 H2 A2G A 103 9.253 -10.192 12.322 1.00 0.00 H new HETATM 0 H15 A2G A 103 5.154 -10.677 16.297 1.00 0.00 H new HETATM 0 H14 A2G A 103 5.271 -9.622 14.226 1.00 0.00 H new HETATM 233 O A2G A 104 6.282 -6.386 3.599 1.00 0.00 O HETATM 234 C1 A2G A 104 5.947 -6.597 4.953 1.00 0.00 C HETATM 235 C2 A2G A 104 4.581 -5.959 5.212 1.00 0.00 C HETATM 236 N2 A2G A 104 4.195 -6.148 6.605 1.00 0.00 N HETATM 237 C3 A2G A 104 3.544 -6.601 4.287 1.00 0.00 C HETATM 238 O3 A2G A 104 2.302 -5.928 4.429 1.00 0.00 O HETATM 239 C4 A2G A 104 4.019 -6.494 2.836 1.00 0.00 C HETATM 240 O4 A2G A 104 4.039 -5.129 2.444 1.00 0.00 O HETATM 241 C5 A2G A 104 5.428 -7.079 2.717 1.00 0.00 C HETATM 242 C6 A2G A 104 5.944 -6.895 1.288 1.00 0.00 C HETATM 243 O6 A2G A 104 4.858 -6.986 0.377 1.00 0.00 O HETATM 244 C7 A2G A 104 3.966 -5.110 7.402 1.00 0.00 C HETATM 245 O7 A2G A 104 4.061 -3.942 7.024 1.00 0.00 O HETATM 246 C8 A2G A 104 3.545 -5.437 8.830 1.00 0.00 C HETATM 0 HO4 A2G A 104 4.869 -4.711 2.756 1.00 0.00 H new HETATM 0 HO3 A2G A 104 2.286 -5.144 3.841 1.00 0.00 H new HETATM 0 HN2 A2G A 104 4.099 -7.094 6.974 1.00 0.00 H new HETATM 0 H8B A2G A 104 2.620 -6.013 8.814 1.00 0.00 H new HETATM 0 H8A A2G A 104 4.327 -6.021 9.315 1.00 0.00 H new HETATM 0 H8 A2G A 104 3.387 -4.512 9.384 1.00 0.00 H new HETATM 0 H6 A2G A 104 6.690 -7.656 1.058 1.00 0.00 H new HETATM 0 H5 A2G A 104 5.404 -8.141 2.963 1.00 0.00 H new HETATM 0 H4 A2G A 104 3.339 -7.048 2.189 1.00 0.00 H new HETATM 0 H3 A2G A 104 3.421 -7.651 4.553 1.00 0.00 H new HETATM 0 H2 A2G A 104 4.636 -4.889 5.011 1.00 0.00 H new HETATM 0 H15 A2G A 104 5.188 -6.866 -0.538 1.00 0.00 H new HETATM 0 H14 A2G A 104 6.435 -5.927 1.189 1.00 0.00 H new