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 Set 1.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 A2G O4 : rot -162:sc= 0.434 USER MOD Single : A 9 LYS NZ :NH3+ -147:sc= -0.221 (180deg=-1.4!) USER MOD Single : A 101 A2G O3 : rot 97:sc= 0.059 USER MOD Single : A 101 A2G O4 : rot -163:sc= 0.33 USER MOD Single : A 101 A2G O6 : rot 180:sc= 0.284 USER MOD Single : A 102 A2G O3 : rot 93:sc= 0.0524 USER MOD Single : A 102 A2G O4 : rot 91:sc= 0.0794 USER MOD Single : A 102 A2G O6 : rot 180:sc= -0.0588 USER MOD Single : A 103 A2G O3 : rot 92:sc= 0.0511 USER MOD Single : A 103 A2G O6 : rot 180:sc= -0.0798 USER MOD Single : A 104 A2G O3 : rot 92:sc= 0.0403 USER MOD Single : A 104 A2G O4 : rot 93:sc= 0.0814 USER MOD Single : A 104 A2G O6 : rot 180:sc= -0.0461 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 0.617 -23.785 4.598 1.00 0.00 C HETATM 2 O ACE A 1 0.644 -22.556 4.602 1.00 0.00 O HETATM 3 CH3 ACE A 1 1.028 -24.572 3.358 1.00 0.00 C HETATM 0 H1 ACE A 1 1.871 -25.219 3.601 1.00 0.00 H new HETATM 0 H2 ACE A 1 0.190 -25.180 3.019 1.00 0.00 H new HETATM 0 H3 ACE A 1 1.318 -23.880 2.567 1.00 0.00 H new ATOM 7 N PRO A 2 0.242 -24.475 5.641 1.00 0.00 N ATOM 8 CA PRO A 2 -0.187 -23.848 6.921 1.00 0.00 C ATOM 9 C PRO A 2 0.750 -22.721 7.353 1.00 0.00 C ATOM 10 O PRO A 2 0.310 -21.603 7.623 1.00 0.00 O ATOM 11 CB PRO A 2 -0.152 -24.998 7.941 1.00 0.00 C ATOM 12 CG PRO A 2 0.300 -26.224 7.204 1.00 0.00 C ATOM 13 CD PRO A 2 0.183 -25.934 5.711 1.00 0.00 C ATOM 0 HA PRO A 2 -1.171 -23.388 6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.530 -24.767 8.760 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.137 -25.154 8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.329 -26.471 7.467 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.314 -27.083 7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.994 -26.396 5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.750 -26.318 5.299 1.00 0.00 H new ATOM 21 N PRO A 3 2.020 -23.003 7.426 1.00 0.00 N ATOM 22 CA PRO A 3 3.053 -22.016 7.844 1.00 0.00 C ATOM 23 C PRO A 3 2.831 -20.634 7.227 1.00 0.00 C ATOM 24 O PRO A 3 2.288 -20.513 6.130 1.00 0.00 O ATOM 25 CB PRO A 3 4.381 -22.630 7.370 1.00 0.00 C ATOM 26 CG PRO A 3 4.046 -23.937 6.710 1.00 0.00 C ATOM 27 CD PRO A 3 2.619 -24.299 7.113 1.00 0.00 C ATOM 0 HA PRO A 3 3.027 -21.844 8.920 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.887 -21.963 6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.057 -22.784 8.211 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.129 -23.852 5.626 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.742 -24.715 7.023 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.088 -24.803 6.305 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.601 -24.969 7.973 1.00 0.00 H new ATOM 35 N THR A 4 3.272 -19.600 7.937 1.00 0.00 N ATOM 36 CA THR A 4 3.131 -18.229 7.454 1.00 0.00 C ATOM 37 C THR A 4 4.348 -17.404 7.887 1.00 0.00 C ATOM 38 O THR A 4 5.198 -17.882 8.637 1.00 0.00 O ATOM 39 CB THR A 4 1.827 -17.613 7.989 1.00 0.00 C ATOM 40 OG1 THR A 4 1.855 -17.679 9.398 1.00 0.00 O ATOM 41 CG2 THR A 4 0.612 -18.415 7.502 1.00 0.00 C ATOM 0 H THR A 4 3.728 -19.684 8.845 1.00 0.00 H new ATOM 0 HA THR A 4 3.082 -18.229 6.365 1.00 0.00 H new ATOM 0 HB THR A 4 1.746 -16.585 7.635 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.301 -17.964 7.891 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.585 -18.408 6.412 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.689 -19.443 7.857 1.00 0.00 H new ATOM 48 N THR A 5 4.440 -16.179 7.372 1.00 0.00 N ATOM 49 CA THR A 5 5.567 -15.294 7.681 1.00 0.00 C ATOM 50 C THR A 5 5.054 -13.897 8.012 1.00 0.00 C ATOM 51 O THR A 5 4.122 -13.405 7.377 1.00 0.00 O ATOM 52 CB THR A 5 6.541 -15.189 6.500 1.00 0.00 C ATOM 53 OG1 THR A 5 5.889 -14.579 5.411 1.00 0.00 O ATOM 54 CG2 THR A 5 6.988 -16.590 6.081 1.00 0.00 C ATOM 0 H THR A 5 3.749 -15.775 6.739 1.00 0.00 H new ATOM 0 HA THR A 5 6.093 -15.720 8.535 1.00 0.00 H new ATOM 0 HB THR A 5 7.406 -14.597 6.798 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.680 -16.515 5.242 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.485 -17.079 6.919 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.118 -17.176 5.783 1.00 0.00 H new ATOM 61 N THR A 6 5.666 -13.260 9.003 1.00 0.00 N ATOM 62 CA THR A 6 5.252 -11.918 9.394 1.00 0.00 C ATOM 63 C THR A 6 6.244 -10.876 8.885 1.00 0.00 C ATOM 64 O THR A 6 7.455 -11.041 9.021 1.00 0.00 O ATOM 65 CB THR A 6 5.158 -11.833 10.919 1.00 0.00 C ATOM 66 OG1 THR A 6 6.437 -12.073 11.464 1.00 0.00 O ATOM 67 CG2 THR A 6 4.191 -12.896 11.442 1.00 0.00 C ATOM 0 H THR A 6 6.440 -13.644 9.544 1.00 0.00 H new ATOM 0 HA THR A 6 4.276 -11.714 8.953 1.00 0.00 H new ATOM 0 HB THR A 6 4.798 -10.845 11.207 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.130 -12.829 12.528 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.203 -12.732 11.012 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.550 -13.885 11.159 1.00 0.00 H new ATOM 74 N THR A 7 5.721 -9.803 8.301 1.00 0.00 N ATOM 75 CA THR A 7 6.573 -8.741 7.778 1.00 0.00 C ATOM 76 C THR A 7 6.616 -7.565 8.748 1.00 0.00 C ATOM 77 O THR A 7 5.582 -7.127 9.252 1.00 0.00 O ATOM 78 CB THR A 7 6.043 -8.267 6.422 1.00 0.00 C ATOM 79 OG1 THR A 7 4.804 -7.622 6.623 1.00 0.00 O ATOM 80 CG2 THR A 7 5.833 -9.466 5.498 1.00 0.00 C ATOM 0 H THR A 7 4.721 -9.646 8.178 1.00 0.00 H new ATOM 0 HA THR A 7 7.582 -9.135 7.656 1.00 0.00 H new ATOM 0 HB THR A 7 6.761 -7.584 5.968 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.456 -9.122 4.535 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.781 -9.984 5.352 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.112 -10.149 5.947 1.00 0.00 H new ATOM 87 N LYS A 8 7.818 -7.061 9.007 1.00 0.00 N ATOM 88 CA LYS A 8 7.981 -5.936 9.921 1.00 0.00 C ATOM 89 C LYS A 8 7.667 -4.622 9.213 1.00 0.00 C ATOM 90 O LYS A 8 7.465 -4.592 7.999 1.00 0.00 O ATOM 91 CB LYS A 8 9.414 -5.900 10.457 1.00 0.00 C ATOM 92 CG LYS A 8 9.547 -6.877 11.626 1.00 0.00 C ATOM 93 CD LYS A 8 9.249 -6.148 12.937 1.00 0.00 C ATOM 94 CE LYS A 8 9.249 -7.151 14.092 1.00 0.00 C ATOM 95 NZ LYS A 8 7.854 -7.343 14.583 1.00 0.00 N ATOM 0 H LYS A 8 8.686 -7.410 8.601 1.00 0.00 H new ATOM 0 HA LYS A 8 7.287 -6.064 10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.116 -6.165 9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.666 -4.891 10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.858 -7.711 11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.553 -7.296 11.651 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.997 -5.375 13.113 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.282 -5.648 12.876 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.664 -8.103 13.761 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.884 -6.790 14.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.853 -8.025 15.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.474 -6.433 14.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.260 -7.705 13.810 1.00 0.00 H new ATOM 109 N LYS A 9 7.628 -3.538 9.981 1.00 0.00 N ATOM 110 CA LYS A 9 7.337 -2.225 9.418 1.00 0.00 C ATOM 111 C LYS A 9 8.418 -1.817 8.422 1.00 0.00 C ATOM 112 O LYS A 9 9.556 -2.280 8.500 1.00 0.00 O ATOM 113 CB LYS A 9 7.253 -1.184 10.537 1.00 0.00 C ATOM 114 CG LYS A 9 5.809 -1.079 11.029 1.00 0.00 C ATOM 115 CD LYS A 9 5.341 -2.446 11.536 1.00 0.00 C ATOM 116 CE LYS A 9 4.390 -2.256 12.718 1.00 0.00 C ATOM 117 NZ LYS A 9 5.105 -1.558 13.823 1.00 0.00 N ATOM 0 H LYS A 9 7.793 -3.542 10.988 1.00 0.00 H new ATOM 0 HA LYS A 9 6.381 -2.278 8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.909 -1.466 11.360 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.596 -0.215 10.173 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.738 -0.340 11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.162 -0.738 10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.839 -2.990 10.736 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.199 -3.046 11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.520 -1.676 12.409 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.022 -3.223 13.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.743 -1.895 14.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.123 -1.759 13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.949 -0.533 13.745 1.00 0.00 H new ATOM 131 N PRO A 10 8.078 -0.964 7.494 1.00 0.00 N ATOM 132 CA PRO A 10 9.023 -0.480 6.453 1.00 0.00 C ATOM 133 C PRO A 10 10.385 -0.117 7.040 1.00 0.00 C ATOM 134 O PRO A 10 11.402 -0.201 6.351 1.00 0.00 O ATOM 135 CB PRO A 10 8.338 0.761 5.859 1.00 0.00 C ATOM 136 CG PRO A 10 7.036 0.933 6.587 1.00 0.00 C ATOM 137 CD PRO A 10 6.755 -0.366 7.337 1.00 0.00 C ATOM 0 HA PRO A 10 9.225 -1.249 5.707 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.967 1.643 5.979 1.00 0.00 H new ATOM 0 HB3 PRO A 10 8.168 0.634 4.790 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.093 1.772 7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.231 1.153 5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.283 -0.178 8.301 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.085 -1.017 6.775 1.00 0.00 H new HETATM 145 N NH2 A 11 10.465 0.281 8.280 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 0.889 -15.638 9.942 1.00 0.00 O HETATM 150 C1 A2G A 101 2.053 -16.424 10.012 1.00 0.00 C HETATM 151 C2 A2G A 101 2.364 -16.648 11.488 1.00 0.00 C HETATM 152 N2 A2G A 101 3.616 -17.380 11.642 1.00 0.00 N HETATM 153 C3 A2G A 101 1.207 -17.425 12.114 1.00 0.00 C HETATM 154 O3 A2G A 101 1.424 -17.551 13.512 1.00 0.00 O HETATM 155 C4 A2G A 101 -0.107 -16.671 11.864 1.00 0.00 C HETATM 156 O4 A2G A 101 -0.108 -15.461 12.607 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.250 -16.351 10.369 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.488 -15.482 10.137 1.00 0.00 C HETATM 159 O6 A2G A 101 -2.403 -15.660 11.206 1.00 0.00 O HETATM 160 C7 A2G A 101 4.624 -16.873 12.346 1.00 0.00 C HETATM 161 O7 A2G A 101 4.568 -15.777 12.905 1.00 0.00 O HETATM 162 C8 A2G A 101 5.881 -17.731 12.433 1.00 0.00 C HETATM 0 HO4 A2G A 101 -1.024 -15.120 12.675 1.00 0.00 H new HETATM 0 HO3 A2G A 101 0.926 -16.851 13.985 1.00 0.00 H new HETATM 0 HN2 A2G A 101 3.720 -18.295 11.203 1.00 0.00 H new HETATM 0 H8B A2G A 101 5.638 -18.686 12.900 1.00 0.00 H new HETATM 0 H8A A2G A 101 6.272 -17.906 11.431 1.00 0.00 H new HETATM 0 H8 A2G A 101 6.633 -17.216 13.031 1.00 0.00 H new HETATM 0 H6 A2G A 101 -1.961 -15.750 9.192 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.349 -17.282 9.810 1.00 0.00 H new HETATM 0 H4 A2G A 101 -0.943 -17.296 12.179 1.00 0.00 H new HETATM 0 H3 A2G A 101 1.148 -18.417 11.666 1.00 0.00 H new HETATM 0 H2 A2G A 101 2.478 -15.688 11.991 1.00 0.00 H new HETATM 0 H15 A2G A 101 -3.194 -15.101 11.056 1.00 0.00 H new HETATM 0 H14 A2G A 101 -1.200 -14.433 10.063 1.00 0.00 H new HETATM 177 O A2G A 102 7.804 -13.483 4.645 1.00 0.00 O HETATM 178 C1 A2G A 102 6.468 -13.345 5.076 1.00 0.00 C HETATM 179 C2 A2G A 102 5.637 -12.735 3.946 1.00 0.00 C HETATM 180 N2 A2G A 102 4.230 -12.685 4.352 1.00 0.00 N HETATM 181 C3 A2G A 102 5.773 -13.589 2.678 1.00 0.00 C HETATM 182 O3 A2G A 102 5.157 -12.917 1.589 1.00 0.00 O HETATM 183 C4 A2G A 102 7.251 -13.818 2.359 1.00 0.00 C HETATM 184 O4 A2G A 102 7.860 -12.582 2.014 1.00 0.00 O HETATM 185 C5 A2G A 102 7.942 -14.399 3.587 1.00 0.00 C HETATM 186 C6 A2G A 102 9.432 -14.599 3.300 1.00 0.00 C HETATM 187 O6 A2G A 102 9.641 -14.655 1.896 1.00 0.00 O HETATM 188 C7 A2G A 102 3.501 -11.584 4.192 1.00 0.00 C HETATM 189 O7 A2G A 102 3.944 -10.549 3.694 1.00 0.00 O HETATM 190 C8 A2G A 102 2.015 -11.715 4.514 1.00 0.00 C HETATM 0 HO4 A2G A 102 8.232 -12.165 2.819 1.00 0.00 H new HETATM 0 HO3 A2G A 102 5.825 -12.377 1.118 1.00 0.00 H new HETATM 0 HN2 A2G A 102 3.800 -13.512 4.766 1.00 0.00 H new HETATM 0 H8B A2G A 102 1.568 -12.471 3.868 1.00 0.00 H new HETATM 0 H8A A2G A 102 1.893 -12.010 5.556 1.00 0.00 H new HETATM 0 H8 A2G A 102 1.521 -10.758 4.348 1.00 0.00 H new HETATM 0 H6 A2G A 102 9.783 -15.519 3.768 1.00 0.00 H new HETATM 0 H5 A2G A 102 7.493 -15.359 3.843 1.00 0.00 H new HETATM 0 H4 A2G A 102 7.342 -14.511 1.522 1.00 0.00 H new HETATM 0 H3 A2G A 102 5.287 -14.551 2.841 1.00 0.00 H new HETATM 0 H2 A2G A 102 5.996 -11.727 3.738 1.00 0.00 H new HETATM 0 H15 A2G A 102 10.595 -14.781 1.712 1.00 0.00 H new HETATM 0 H14 A2G A 102 10.009 -13.782 3.732 1.00 0.00 H new HETATM 205 O A2G A 103 6.355 -10.470 13.158 1.00 0.00 O HETATM 206 C1 A2G A 103 7.027 -10.909 11.999 1.00 0.00 C HETATM 207 C2 A2G A 103 8.466 -11.239 12.390 1.00 0.00 C HETATM 208 N2 A2G A 103 9.234 -11.643 11.218 1.00 0.00 N HETATM 209 C3 A2G A 103 8.443 -12.362 13.426 1.00 0.00 C HETATM 210 O3 A2G A 103 9.766 -12.625 13.872 1.00 0.00 O HETATM 211 C4 A2G A 103 7.579 -11.933 14.614 1.00 0.00 C HETATM 212 O4 A2G A 103 8.203 -10.850 15.285 1.00 0.00 O HETATM 213 C5 A2G A 103 6.196 -11.497 14.114 1.00 0.00 C HETATM 214 C6 A2G A 103 5.377 -10.950 15.284 1.00 0.00 C HETATM 215 O6 A2G A 103 5.909 -11.441 16.506 1.00 0.00 O HETATM 216 C7 A2G A 103 10.310 -10.962 10.836 1.00 0.00 C HETATM 217 O7 A2G A 103 10.719 -9.968 11.437 1.00 0.00 O HETATM 218 C8 A2G A 103 11.122 -11.568 9.696 1.00 0.00 C HETATM 0 HO4 A2G A 103 7.818 -10.755 16.181 1.00 0.00 H new HETATM 0 HO3 A2G A 103 9.956 -12.086 14.668 1.00 0.00 H new HETATM 0 HN2 A2G A 103 8.941 -12.461 10.683 1.00 0.00 H new HETATM 0 H8B A2G A 103 11.480 -12.555 9.989 1.00 0.00 H new HETATM 0 H8A A2G A 103 10.494 -11.658 8.810 1.00 0.00 H new HETATM 0 H8 A2G A 103 11.973 -10.925 9.473 1.00 0.00 H new HETATM 0 H6 A2G A 103 4.334 -11.250 15.183 1.00 0.00 H new HETATM 0 H5 A2G A 103 5.685 -12.352 13.672 1.00 0.00 H new HETATM 0 H4 A2G A 103 7.467 -12.771 15.302 1.00 0.00 H new HETATM 0 H3 A2G A 103 8.028 -13.265 12.978 1.00 0.00 H new HETATM 0 H2 A2G A 103 8.944 -10.356 12.814 1.00 0.00 H new HETATM 0 H15 A2G A 103 5.385 -11.089 17.256 1.00 0.00 H new HETATM 0 H14 A2G A 103 5.398 -9.860 15.278 1.00 0.00 H new HETATM 233 O A2G A 104 5.069 -5.878 5.095 1.00 0.00 O HETATM 234 C1 A2G A 104 4.889 -6.226 6.450 1.00 0.00 C HETATM 235 C2 A2G A 104 3.578 -5.603 6.935 1.00 0.00 C HETATM 236 N2 A2G A 104 3.351 -5.938 8.335 1.00 0.00 N HETATM 237 C3 A2G A 104 2.424 -6.125 6.076 1.00 0.00 C HETATM 238 O3 A2G A 104 1.225 -5.453 6.434 1.00 0.00 O HETATM 239 C4 A2G A 104 2.731 -5.867 4.600 1.00 0.00 C HETATM 240 O4 A2G A 104 2.747 -4.468 4.355 1.00 0.00 O HETATM 241 C5 A2G A 104 4.097 -6.461 4.254 1.00 0.00 C HETATM 242 C6 A2G A 104 4.449 -6.138 2.801 1.00 0.00 C HETATM 243 O6 A2G A 104 3.255 -5.946 2.056 1.00 0.00 O HETATM 244 C7 A2G A 104 3.276 -4.991 9.265 1.00 0.00 C HETATM 245 O7 A2G A 104 3.390 -3.792 9.012 1.00 0.00 O HETATM 246 C8 A2G A 104 3.032 -5.468 10.693 1.00 0.00 C HETATM 0 HO4 A2G A 104 3.663 -4.131 4.440 1.00 0.00 H new HETATM 0 HO3 A2G A 104 1.107 -4.667 5.861 1.00 0.00 H new HETATM 0 HN2 A2G A 104 3.248 -6.916 8.606 1.00 0.00 H new HETATM 0 H8B A2G A 104 2.087 -6.010 10.739 1.00 0.00 H new HETATM 0 H8A A2G A 104 3.844 -6.127 11.000 1.00 0.00 H new HETATM 0 H8 A2G A 104 2.990 -4.608 11.362 1.00 0.00 H new HETATM 0 H6 A2G A 104 5.034 -6.950 2.368 1.00 0.00 H new HETATM 0 H5 A2G A 104 4.070 -7.542 4.390 1.00 0.00 H new HETATM 0 H4 A2G A 104 1.963 -6.334 3.982 1.00 0.00 H new HETATM 0 H3 A2G A 104 2.304 -7.196 6.241 1.00 0.00 H new HETATM 0 H2 A2G A 104 3.637 -4.518 6.844 1.00 0.00 H new HETATM 0 H15 A2G A 104 3.480 -5.737 1.125 1.00 0.00 H new HETATM 0 H14 A2G A 104 5.067 -5.241 2.756 1.00 0.00 H new