USER MOD reduce.3.24.130724 H: found=0, std=0, add=126, rem=0, adj=12 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 A2G O3 : rot 93:sc= 0.0493 USER MOD Single : A 101 A2G O4 : rot 81:sc= 0.0636 USER MOD Single : A 101 A2G O6 : rot 180:sc= -0.0364 USER MOD Single : A 102 A2G O3 : rot 89:sc= 0.0523 USER MOD Single : A 102 A2G O4 : rot 85:sc= 0.0627 USER MOD Single : A 102 A2G O6 : rot 180:sc= -0.0139 USER MOD Single : A 103 A2G O3 : rot 96:sc= 0.0736 USER MOD Single : A 103 A2G O4 : rot 84:sc= 0.0751 USER MOD Single : A 103 A2G O6 : rot 180:sc= -0.0448 USER MOD Single : A 104 A2G O3 : rot 98:sc= 0.0587 USER MOD Single : A 104 A2G O4 : rot -167:sc= 0.887 USER MOD Single : A 104 A2G O6 : rot 180:sc= 0.617 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 -1.164 -23.394 7.503 1.00 0.00 C HETATM 2 O ACE A 1 -0.544 -23.173 8.544 1.00 0.00 O HETATM 3 CH3 ACE A 1 -2.669 -23.162 7.424 1.00 0.00 C HETATM 0 H1 ACE A 1 -2.883 -22.423 6.652 1.00 0.00 H new HETATM 0 H2 ACE A 1 -3.169 -24.099 7.178 1.00 0.00 H new HETATM 0 H3 ACE A 1 -3.032 -22.798 8.385 1.00 0.00 H new ATOM 7 N PRO A 2 -0.575 -23.833 6.425 1.00 0.00 N ATOM 8 CA PRO A 2 0.886 -24.106 6.353 1.00 0.00 C ATOM 9 C PRO A 2 1.708 -22.991 6.994 1.00 0.00 C ATOM 10 O PRO A 2 1.213 -21.885 7.210 1.00 0.00 O ATOM 11 CB PRO A 2 1.184 -24.208 4.849 1.00 0.00 C ATOM 12 CG PRO A 2 -0.113 -23.985 4.129 1.00 0.00 C ATOM 13 CD PRO A 2 -1.237 -24.118 5.154 1.00 0.00 C ATOM 0 HA PRO A 2 1.152 -25.011 6.898 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.923 -23.465 4.551 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.598 -25.186 4.603 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.130 -22.998 3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.237 -24.714 3.328 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.046 -23.415 4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.673 -25.117 5.144 1.00 0.00 H new ATOM 21 N PRO A 3 2.947 -23.268 7.298 1.00 0.00 N ATOM 22 CA PRO A 3 3.866 -22.284 7.930 1.00 0.00 C ATOM 23 C PRO A 3 3.772 -20.910 7.272 1.00 0.00 C ATOM 24 O PRO A 3 4.191 -20.729 6.128 1.00 0.00 O ATOM 25 CB PRO A 3 5.266 -22.887 7.736 1.00 0.00 C ATOM 26 CG PRO A 3 5.088 -24.183 7.001 1.00 0.00 C ATOM 27 CD PRO A 3 3.608 -24.552 7.072 1.00 0.00 C ATOM 0 HA PRO A 3 3.619 -22.120 8.979 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.903 -22.207 7.170 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.751 -23.053 8.698 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.409 -24.083 5.964 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.700 -24.965 7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.267 -25.022 6.150 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.408 -25.254 7.881 1.00 0.00 H new ATOM 35 N THR A 4 3.220 -19.946 8.002 1.00 0.00 N ATOM 36 CA THR A 4 3.077 -18.592 7.479 1.00 0.00 C ATOM 37 C THR A 4 4.251 -17.721 7.916 1.00 0.00 C ATOM 38 O THR A 4 5.018 -18.097 8.803 1.00 0.00 O ATOM 39 CB THR A 4 1.768 -17.975 7.977 1.00 0.00 C ATOM 40 OG1 THR A 4 1.798 -17.933 9.387 1.00 0.00 O ATOM 41 CG2 THR A 4 0.586 -18.839 7.534 1.00 0.00 C ATOM 0 H THR A 4 2.867 -20.075 8.950 1.00 0.00 H new ATOM 0 HA THR A 4 3.063 -18.643 6.390 1.00 0.00 H new ATOM 0 HB THR A 4 1.657 -16.972 7.566 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.343 -18.395 7.891 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.566 -18.897 6.446 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.692 -19.841 7.949 1.00 0.00 H new ATOM 48 N THR A 5 4.383 -16.557 7.289 1.00 0.00 N ATOM 49 CA THR A 5 5.468 -15.641 7.622 1.00 0.00 C ATOM 50 C THR A 5 4.942 -14.216 7.760 1.00 0.00 C ATOM 51 O THR A 5 4.062 -13.793 7.010 1.00 0.00 O ATOM 52 CB THR A 5 6.544 -15.687 6.534 1.00 0.00 C ATOM 53 OG1 THR A 5 6.002 -15.161 5.342 1.00 0.00 O ATOM 54 CG2 THR A 5 6.969 -17.135 6.286 1.00 0.00 C ATOM 0 H THR A 5 3.758 -16.227 6.553 1.00 0.00 H new ATOM 0 HA THR A 5 5.901 -15.951 8.573 1.00 0.00 H new ATOM 0 HB THR A 5 7.409 -15.105 6.851 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.735 -17.162 5.511 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.370 -17.559 7.207 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.106 -17.717 5.964 1.00 0.00 H new ATOM 61 N THR A 6 5.487 -13.480 8.723 1.00 0.00 N ATOM 62 CA THR A 6 5.065 -12.102 8.950 1.00 0.00 C ATOM 63 C THR A 6 6.105 -11.127 8.407 1.00 0.00 C ATOM 64 O THR A 6 7.291 -11.449 8.329 1.00 0.00 O ATOM 65 CB THR A 6 4.865 -11.857 10.447 1.00 0.00 C ATOM 66 OG1 THR A 6 6.120 -11.928 11.087 1.00 0.00 O ATOM 67 CG2 THR A 6 3.952 -12.935 11.031 1.00 0.00 C ATOM 0 H THR A 6 6.216 -13.811 9.355 1.00 0.00 H new ATOM 0 HA THR A 6 4.123 -11.939 8.427 1.00 0.00 H new ATOM 0 HB THR A 6 4.412 -10.877 10.600 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.813 -12.756 12.097 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.985 -12.904 10.529 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.406 -13.915 10.884 1.00 0.00 H new ATOM 74 N THR A 7 5.652 -9.935 8.033 1.00 0.00 N ATOM 75 CA THR A 7 6.553 -8.920 7.499 1.00 0.00 C ATOM 76 C THR A 7 6.895 -7.890 8.570 1.00 0.00 C ATOM 77 O THR A 7 6.052 -7.530 9.392 1.00 0.00 O ATOM 78 CB THR A 7 5.901 -8.220 6.304 1.00 0.00 C ATOM 79 OG1 THR A 7 4.729 -7.571 6.747 1.00 0.00 O ATOM 80 CG2 THR A 7 5.523 -9.252 5.241 1.00 0.00 C ATOM 0 H THR A 7 4.674 -9.649 8.089 1.00 0.00 H new ATOM 0 HA THR A 7 7.472 -9.410 7.176 1.00 0.00 H new ATOM 0 HB THR A 7 6.599 -7.500 5.876 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.059 -8.748 4.393 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.419 -9.775 4.907 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.821 -9.970 5.664 1.00 0.00 H new ATOM 87 N LYS A 8 8.138 -7.418 8.556 1.00 0.00 N ATOM 88 CA LYS A 8 8.580 -6.429 9.531 1.00 0.00 C ATOM 89 C LYS A 8 8.129 -5.031 9.120 1.00 0.00 C ATOM 90 O LYS A 8 8.405 -4.582 8.008 1.00 0.00 O ATOM 91 CB LYS A 8 10.105 -6.460 9.652 1.00 0.00 C ATOM 92 CG LYS A 8 10.557 -5.427 10.686 1.00 0.00 C ATOM 93 CD LYS A 8 11.539 -6.077 11.662 1.00 0.00 C ATOM 94 CE LYS A 8 12.735 -6.636 10.888 1.00 0.00 C ATOM 95 NZ LYS A 8 13.997 -6.264 11.588 1.00 0.00 N ATOM 0 H LYS A 8 8.852 -7.702 7.885 1.00 0.00 H new ATOM 0 HA LYS A 8 8.134 -6.673 10.495 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.437 -7.455 9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.561 -6.246 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.030 -4.581 10.187 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.695 -5.037 11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.877 -5.345 12.395 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.044 -6.876 12.214 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.656 -7.720 10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.740 -6.242 9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.810 -6.644 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.072 -5.228 11.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.991 -6.660 12.549 1.00 0.00 H new ATOM 109 N LYS A 9 7.433 -4.350 10.024 1.00 0.00 N ATOM 110 CA LYS A 9 6.949 -3.003 9.744 1.00 0.00 C ATOM 111 C LYS A 9 8.117 -2.048 9.521 1.00 0.00 C ATOM 112 O LYS A 9 9.062 -2.010 10.309 1.00 0.00 O ATOM 113 CB LYS A 9 6.094 -2.502 10.910 1.00 0.00 C ATOM 114 CG LYS A 9 5.388 -1.207 10.507 1.00 0.00 C ATOM 115 CD LYS A 9 4.738 -0.574 11.739 1.00 0.00 C ATOM 116 CE LYS A 9 4.025 0.717 11.334 1.00 0.00 C ATOM 117 NZ LYS A 9 2.630 0.700 11.859 1.00 0.00 N ATOM 0 H LYS A 9 7.193 -4.705 10.950 1.00 0.00 H new ATOM 0 HA LYS A 9 6.344 -3.037 8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.359 -3.258 11.187 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.720 -2.330 11.786 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.103 -0.514 10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.632 -1.413 9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.028 -1.269 12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.495 -0.362 12.494 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.562 1.580 11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.015 0.814 10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.145 1.578 11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.120 -0.116 11.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.650 0.626 12.896 1.00 0.00 H new ATOM 131 N PRO A 10 8.064 -1.285 8.464 1.00 0.00 N ATOM 132 CA PRO A 10 9.134 -0.313 8.111 1.00 0.00 C ATOM 133 C PRO A 10 9.603 0.486 9.324 1.00 0.00 C ATOM 134 O PRO A 10 10.744 0.945 9.364 1.00 0.00 O ATOM 135 CB PRO A 10 8.486 0.610 7.067 1.00 0.00 C ATOM 136 CG PRO A 10 7.077 0.130 6.872 1.00 0.00 C ATOM 137 CD PRO A 10 6.977 -1.263 7.487 1.00 0.00 C ATOM 0 HA PRO A 10 10.025 -0.816 7.734 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.497 1.645 7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.038 0.577 6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.371 0.811 7.348 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.826 0.100 5.812 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.009 -1.424 7.961 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.097 -2.043 6.735 1.00 0.00 H new HETATM 145 N NH2 A 11 8.783 0.682 10.321 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 0.661 -15.912 9.656 1.00 0.00 O HETATM 150 C1 A2G A 101 1.861 -16.615 9.885 1.00 0.00 C HETATM 151 C2 A2G A 101 2.092 -16.686 11.396 1.00 0.00 C HETATM 152 N2 A2G A 101 3.330 -17.402 11.681 1.00 0.00 N HETATM 153 C3 A2G A 101 0.909 -17.400 12.051 1.00 0.00 C HETATM 154 O3 A2G A 101 1.052 -17.357 13.463 1.00 0.00 O HETATM 155 C4 A2G A 101 -0.393 -16.704 11.649 1.00 0.00 C HETATM 156 O4 A2G A 101 -0.423 -15.398 12.207 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.471 -16.610 10.124 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.727 -15.836 9.719 1.00 0.00 C HETATM 159 O6 A2G A 101 -2.819 -16.250 10.527 1.00 0.00 O HETATM 160 C7 A2G A 101 4.329 -16.814 12.332 1.00 0.00 C HETATM 161 O7 A2G A 101 4.277 -15.650 12.730 1.00 0.00 O HETATM 162 C8 A2G A 101 5.598 -17.642 12.507 1.00 0.00 C HETATM 0 HO4 A2G A 101 0.103 -14.790 11.646 1.00 0.00 H new HETATM 0 HO3 A2G A 101 0.572 -16.579 13.817 1.00 0.00 H new HETATM 0 HN2 A2G A 101 3.431 -18.370 11.376 1.00 0.00 H new HETATM 0 H8B A2G A 101 5.367 -18.548 13.067 1.00 0.00 H new HETATM 0 H8A A2G A 101 5.995 -17.911 11.528 1.00 0.00 H new HETATM 0 H8 A2G A 101 6.341 -17.059 13.051 1.00 0.00 H new HETATM 0 H6 A2G A 101 -1.952 -16.012 8.667 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.506 -17.612 9.697 1.00 0.00 H new HETATM 0 H4 A2G A 101 -1.242 -17.277 12.021 1.00 0.00 H new HETATM 0 H3 A2G A 101 0.883 -18.438 11.720 1.00 0.00 H new HETATM 0 H2 A2G A 101 2.176 -15.677 11.799 1.00 0.00 H new HETATM 0 H15 A2G A 101 -3.623 -15.753 10.269 1.00 0.00 H new HETATM 0 H14 A2G A 101 -1.560 -14.765 9.835 1.00 0.00 H new HETATM 177 O A2G A 102 7.967 -14.109 4.651 1.00 0.00 O HETATM 178 C1 A2G A 102 6.603 -13.942 4.968 1.00 0.00 C HETATM 179 C2 A2G A 102 5.884 -13.416 3.725 1.00 0.00 C HETATM 180 N2 A2G A 102 4.467 -13.221 4.009 1.00 0.00 N HETATM 181 C3 A2G A 102 6.060 -14.418 2.582 1.00 0.00 C HETATM 182 O3 A2G A 102 5.507 -13.879 1.390 1.00 0.00 O HETATM 183 C4 A2G A 102 7.549 -14.697 2.372 1.00 0.00 C HETATM 184 O4 A2G A 102 8.190 -13.519 1.904 1.00 0.00 O HETATM 185 C5 A2G A 102 8.179 -15.127 3.699 1.00 0.00 C HETATM 186 C6 A2G A 102 9.686 -15.322 3.516 1.00 0.00 C HETATM 187 O6 A2G A 102 9.920 -16.191 2.418 1.00 0.00 O HETATM 188 C7 A2G A 102 3.900 -12.025 3.889 1.00 0.00 C HETATM 189 O7 A2G A 102 4.521 -11.022 3.538 1.00 0.00 O HETATM 190 C8 A2G A 102 2.403 -11.960 4.168 1.00 0.00 C HETATM 0 HO4 A2G A 102 8.440 -12.957 2.667 1.00 0.00 H new HETATM 0 HO3 A2G A 102 6.193 -13.366 0.914 1.00 0.00 H new HETATM 0 HN2 A2G A 102 3.901 -14.016 4.305 1.00 0.00 H new HETATM 0 H8B A2G A 102 1.875 -12.614 3.474 1.00 0.00 H new HETATM 0 H8A A2G A 102 2.209 -12.283 5.191 1.00 0.00 H new HETATM 0 H8 A2G A 102 2.053 -10.936 4.039 1.00 0.00 H new HETATM 0 H6 A2G A 102 10.123 -15.739 4.423 1.00 0.00 H new HETATM 0 H5 A2G A 102 7.728 -16.062 4.031 1.00 0.00 H new HETATM 0 H4 A2G A 102 7.670 -15.493 1.637 1.00 0.00 H new HETATM 0 H3 A2G A 102 5.548 -15.347 2.832 1.00 0.00 H new HETATM 0 H2 A2G A 102 6.313 -12.456 3.436 1.00 0.00 H new HETATM 0 H15 A2G A 102 10.885 -16.315 2.299 1.00 0.00 H new HETATM 0 H14 A2G A 102 10.170 -14.361 3.342 1.00 0.00 H new HETATM 205 O A2G A 103 5.790 -10.163 12.578 1.00 0.00 O HETATM 206 C1 A2G A 103 6.577 -10.667 11.523 1.00 0.00 C HETATM 207 C2 A2G A 103 8.011 -10.826 12.031 1.00 0.00 C HETATM 208 N2 A2G A 103 8.867 -11.335 10.967 1.00 0.00 N HETATM 209 C3 A2G A 103 8.019 -11.789 13.220 1.00 0.00 C HETATM 210 O3 A2G A 103 9.322 -11.831 13.783 1.00 0.00 O HETATM 211 C4 A2G A 103 7.023 -11.307 14.279 1.00 0.00 C HETATM 212 O4 A2G A 103 7.485 -10.087 14.841 1.00 0.00 O HETATM 213 C5 A2G A 103 5.651 -11.084 13.636 1.00 0.00 C HETATM 214 C6 A2G A 103 4.687 -10.500 14.671 1.00 0.00 C HETATM 215 O6 A2G A 103 5.103 -10.881 15.974 1.00 0.00 O HETATM 216 C7 A2G A 103 9.921 -10.646 10.543 1.00 0.00 C HETATM 217 O7 A2G A 103 10.238 -9.552 11.011 1.00 0.00 O HETATM 218 C8 A2G A 103 10.700 -11.254 9.382 1.00 0.00 C HETATM 0 HO4 A2G A 103 7.208 -9.339 14.272 1.00 0.00 H new HETATM 0 HO3 A2G A 103 9.372 -11.208 14.538 1.00 0.00 H new HETATM 0 HN2 A2G A 103 8.653 -12.236 10.540 1.00 0.00 H new HETATM 0 H8B A2G A 103 11.079 -12.234 9.672 1.00 0.00 H new HETATM 0 H8A A2G A 103 10.043 -11.359 8.519 1.00 0.00 H new HETATM 0 H8 A2G A 103 11.536 -10.604 9.125 1.00 0.00 H new HETATM 0 H6 A2G A 103 3.674 -10.856 14.482 1.00 0.00 H new HETATM 0 H5 A2G A 103 5.262 -12.033 13.267 1.00 0.00 H new HETATM 0 H4 A2G A 103 6.936 -12.061 15.061 1.00 0.00 H new HETATM 0 H3 A2G A 103 7.734 -12.785 12.881 1.00 0.00 H new HETATM 0 H2 A2G A 103 8.394 -9.856 12.347 1.00 0.00 H new HETATM 0 H15 A2G A 103 4.487 -10.506 16.637 1.00 0.00 H new HETATM 0 H14 A2G A 103 4.663 -9.413 14.589 1.00 0.00 H new HETATM 233 O A2G A 104 4.957 -5.628 5.474 1.00 0.00 O HETATM 234 C1 A2G A 104 4.865 -6.168 6.772 1.00 0.00 C HETATM 235 C2 A2G A 104 3.625 -5.578 7.447 1.00 0.00 C HETATM 236 N2 A2G A 104 3.497 -6.099 8.803 1.00 0.00 N HETATM 237 C3 A2G A 104 2.387 -5.940 6.624 1.00 0.00 C HETATM 238 O3 A2G A 104 1.252 -5.281 7.167 1.00 0.00 O HETATM 239 C4 A2G A 104 2.587 -5.496 5.172 1.00 0.00 C HETATM 240 O4 A2G A 104 2.618 -4.078 5.112 1.00 0.00 O HETATM 241 C5 A2G A 104 3.907 -6.057 4.636 1.00 0.00 C HETATM 242 C6 A2G A 104 4.158 -5.522 3.225 1.00 0.00 C HETATM 243 O6 A2G A 104 2.981 -4.891 2.742 1.00 0.00 O HETATM 244 C7 A2G A 104 3.507 -5.286 9.854 1.00 0.00 C HETATM 245 O7 A2G A 104 3.624 -4.064 9.756 1.00 0.00 O HETATM 246 C8 A2G A 104 3.434 -5.955 11.223 1.00 0.00 C HETATM 0 HO4 A2G A 104 2.545 -3.788 4.179 1.00 0.00 H new HETATM 0 HO3 A2G A 104 1.073 -4.464 6.657 1.00 0.00 H new HETATM 0 HN2 A2G A 104 3.398 -7.104 8.947 1.00 0.00 H new HETATM 0 H8B A2G A 104 2.512 -6.531 11.298 1.00 0.00 H new HETATM 0 H8A A2G A 104 4.289 -6.620 11.349 1.00 0.00 H new HETATM 0 H8 A2G A 104 3.449 -5.193 12.002 1.00 0.00 H new HETATM 0 H6 A2G A 104 4.445 -6.337 2.561 1.00 0.00 H new HETATM 0 H5 A2G A 104 3.857 -7.146 4.613 1.00 0.00 H new HETATM 0 H4 A2G A 104 1.763 -5.871 4.564 1.00 0.00 H new HETATM 0 H3 A2G A 104 2.234 -7.019 6.654 1.00 0.00 H new HETATM 0 H2 A2G A 104 3.721 -4.494 7.501 1.00 0.00 H new HETATM 0 H15 A2G A 104 3.142 -4.546 1.839 1.00 0.00 H new HETATM 0 H14 A2G A 104 4.986 -4.813 3.235 1.00 0.00 H new