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+ 163:sc= -0.284 (180deg=-1.11) USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= -0.0118 (180deg=-0.331) USER MOD Single : A 101 A2G O3 : rot 96:sc= 0.0496 USER MOD Single : A 101 A2G O4 : rot 83:sc= 0.0653 USER MOD Single : A 101 A2G O6 : rot 180:sc= -0.0494 USER MOD Single : A 102 A2G O3 : rot 91:sc= 0.0532 USER MOD Single : A 102 A2G O4 : rot -173:sc= 0.569 USER MOD Single : A 102 A2G O6 : rot 180:sc= 0.454 USER MOD Single : A 103 A2G O3 : rot 99:sc= 0.0394 USER MOD Single : A 103 A2G O4 : rot 87:sc= 0.057 USER MOD Single : A 103 A2G O6 : rot 180:sc= -0.0661 USER MOD Single : A 104 A2G O3 : rot 86:sc= 0.0621 USER MOD Single : A 104 A2G O4 : rot 90:sc= 0.0675 USER MOD Single : A 104 A2G O6 : rot 180:sc= -0.0542 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 -2.238 -23.148 8.562 1.00 0.00 C HETATM 2 O ACE A 1 -1.638 -23.455 9.593 1.00 0.00 O HETATM 3 CH3 ACE A 1 -3.728 -22.823 8.590 1.00 0.00 C HETATM 0 H1 ACE A 1 -3.885 -21.805 8.235 1.00 0.00 H new HETATM 0 H2 ACE A 1 -4.264 -23.519 7.945 1.00 0.00 H new HETATM 0 H3 ACE A 1 -4.101 -22.913 9.610 1.00 0.00 H new ATOM 7 N PRO A 2 -1.639 -23.086 7.404 1.00 0.00 N ATOM 8 CA PRO A 2 -0.192 -23.375 7.222 1.00 0.00 C ATOM 9 C PRO A 2 0.689 -22.229 7.716 1.00 0.00 C ATOM 10 O PRO A 2 0.219 -21.107 7.906 1.00 0.00 O ATOM 11 CB PRO A 2 -0.026 -23.572 5.707 1.00 0.00 C ATOM 12 CG PRO A 2 -1.384 -23.391 5.091 1.00 0.00 C ATOM 13 CD PRO A 2 -2.279 -22.733 6.138 1.00 0.00 C ATOM 0 HA PRO A 2 0.116 -24.247 7.799 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.682 -22.851 5.299 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.368 -24.564 5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.320 -22.771 4.197 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.797 -24.352 4.783 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.330 -21.653 6.001 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.301 -23.109 6.086 1.00 0.00 H new ATOM 21 N PRO A 3 1.952 -22.497 7.925 1.00 0.00 N ATOM 22 CA PRO A 3 2.930 -21.481 8.412 1.00 0.00 C ATOM 23 C PRO A 3 2.780 -20.145 7.690 1.00 0.00 C ATOM 24 O PRO A 3 2.286 -20.089 6.566 1.00 0.00 O ATOM 25 CB PRO A 3 4.305 -22.106 8.121 1.00 0.00 C ATOM 26 CG PRO A 3 4.056 -23.443 7.483 1.00 0.00 C ATOM 27 CD PRO A 3 2.591 -23.800 7.722 1.00 0.00 C ATOM 0 HA PRO A 3 2.780 -21.255 9.468 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.887 -21.465 7.458 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.879 -22.219 9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.272 -23.404 6.415 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.710 -24.201 7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.163 -24.329 6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.472 -24.446 8.592 1.00 0.00 H new ATOM 35 N THR A 4 3.213 -19.072 8.344 1.00 0.00 N ATOM 36 CA THR A 4 3.124 -17.738 7.755 1.00 0.00 C ATOM 37 C THR A 4 4.329 -16.894 8.160 1.00 0.00 C ATOM 38 O THR A 4 4.743 -16.902 9.318 1.00 0.00 O ATOM 39 CB THR A 4 1.838 -17.042 8.211 1.00 0.00 C ATOM 40 OG1 THR A 4 1.824 -16.986 9.620 1.00 0.00 O ATOM 41 CG2 THR A 4 0.622 -17.839 7.737 1.00 0.00 C ATOM 0 H THR A 4 3.627 -19.098 9.276 1.00 0.00 H new ATOM 0 HA THR A 4 3.112 -17.844 6.670 1.00 0.00 H new ATOM 0 HB THR A 4 1.801 -16.037 7.791 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.290 -17.340 8.064 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.631 -17.903 6.649 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.658 -18.843 8.160 1.00 0.00 H new ATOM 48 N THR A 5 4.886 -16.166 7.197 1.00 0.00 N ATOM 49 CA THR A 5 6.043 -15.320 7.467 1.00 0.00 C ATOM 50 C THR A 5 5.635 -13.851 7.509 1.00 0.00 C ATOM 51 O THR A 5 4.793 -13.407 6.727 1.00 0.00 O ATOM 52 CB THR A 5 7.105 -15.526 6.385 1.00 0.00 C ATOM 53 OG1 THR A 5 6.597 -15.048 5.159 1.00 0.00 O ATOM 54 CG2 THR A 5 7.418 -17.016 6.242 1.00 0.00 C ATOM 0 H THR A 5 4.559 -16.144 6.231 1.00 0.00 H new ATOM 0 HA THR A 5 6.454 -15.599 8.437 1.00 0.00 H new ATOM 0 HB THR A 5 8.014 -14.990 6.658 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.175 -17.156 5.470 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.791 -17.402 7.191 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.511 -17.553 5.963 1.00 0.00 H new ATOM 61 N THR A 6 6.234 -13.102 8.429 1.00 0.00 N ATOM 62 CA THR A 6 5.925 -11.683 8.564 1.00 0.00 C ATOM 63 C THR A 6 7.052 -10.832 7.987 1.00 0.00 C ATOM 64 O THR A 6 8.195 -11.279 7.893 1.00 0.00 O ATOM 65 CB THR A 6 5.720 -11.332 10.039 1.00 0.00 C ATOM 66 OG1 THR A 6 6.946 -11.501 10.717 1.00 0.00 O ATOM 67 CG2 THR A 6 4.682 -12.269 10.657 1.00 0.00 C ATOM 0 H THR A 6 6.931 -13.450 9.087 1.00 0.00 H new ATOM 0 HA THR A 6 5.009 -11.475 8.011 1.00 0.00 H new ATOM 0 HB THR A 6 5.373 -10.302 10.124 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.541 -12.014 11.707 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.735 -12.163 10.127 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.029 -13.299 10.578 1.00 0.00 H new ATOM 74 N THR A 7 6.722 -9.603 7.603 1.00 0.00 N ATOM 75 CA THR A 7 7.714 -8.697 7.036 1.00 0.00 C ATOM 76 C THR A 7 7.519 -7.284 7.574 1.00 0.00 C ATOM 77 O THR A 7 6.440 -6.704 7.445 1.00 0.00 O ATOM 78 CB THR A 7 7.602 -8.687 5.510 1.00 0.00 C ATOM 79 OG1 THR A 7 6.334 -8.182 5.156 1.00 0.00 O ATOM 80 CG2 THR A 7 7.734 -10.111 4.969 1.00 0.00 C ATOM 0 H THR A 7 5.782 -9.214 7.673 1.00 0.00 H new ATOM 0 HA THR A 7 8.705 -9.048 7.323 1.00 0.00 H new ATOM 0 HB THR A 7 8.394 -8.067 5.090 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.653 -10.096 3.882 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.703 -10.521 5.255 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.940 -10.733 5.383 1.00 0.00 H new ATOM 87 N LYS A 8 8.568 -6.735 8.176 1.00 0.00 N ATOM 88 CA LYS A 8 8.500 -5.388 8.731 1.00 0.00 C ATOM 89 C LYS A 8 7.663 -5.375 10.005 1.00 0.00 C ATOM 90 O LYS A 8 6.949 -6.333 10.300 1.00 0.00 O ATOM 91 CB LYS A 8 7.888 -4.432 7.705 1.00 0.00 C ATOM 92 CG LYS A 8 8.498 -3.039 7.878 1.00 0.00 C ATOM 93 CD LYS A 8 7.852 -2.072 6.885 1.00 0.00 C ATOM 94 CE LYS A 8 8.126 -0.631 7.322 1.00 0.00 C ATOM 95 NZ LYS A 8 9.436 -0.568 8.030 1.00 0.00 N ATOM 0 H LYS A 8 9.470 -7.198 8.292 1.00 0.00 H new ATOM 0 HA LYS A 8 9.512 -5.063 8.972 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.073 -4.799 6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.807 -4.386 7.835 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.343 -2.687 8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.575 -3.079 7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.250 -2.242 5.885 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.778 -2.250 6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.138 0.028 6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.329 -0.280 7.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.761 0.419 8.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.327 -0.938 8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.136 -1.141 7.517 1.00 0.00 H new ATOM 109 N LYS A 9 7.755 -4.283 10.757 1.00 0.00 N ATOM 110 CA LYS A 9 7.000 -4.157 11.999 1.00 0.00 C ATOM 111 C LYS A 9 5.502 -4.170 11.719 1.00 0.00 C ATOM 112 O LYS A 9 5.060 -3.821 10.625 1.00 0.00 O ATOM 113 CB LYS A 9 7.377 -2.855 12.708 1.00 0.00 C ATOM 114 CG LYS A 9 8.542 -3.113 13.666 1.00 0.00 C ATOM 115 CD LYS A 9 8.951 -1.801 14.339 1.00 0.00 C ATOM 116 CE LYS A 9 10.219 -2.024 15.165 1.00 0.00 C ATOM 117 NZ LYS A 9 9.938 -3.005 16.251 1.00 0.00 N ATOM 0 H LYS A 9 8.340 -3.478 10.531 1.00 0.00 H new ATOM 0 HA LYS A 9 7.245 -5.004 12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.656 -2.097 11.976 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.520 -2.467 13.258 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.252 -3.845 14.419 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.388 -3.534 13.122 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.126 -1.033 13.586 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.145 -1.442 14.980 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.022 -2.392 14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.559 -1.080 15.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.709 -2.982 16.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.042 -2.759 16.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.866 -3.960 15.846 1.00 0.00 H new ATOM 131 N PRO A 10 4.721 -4.566 12.687 1.00 0.00 N ATOM 132 CA PRO A 10 3.241 -4.637 12.558 1.00 0.00 C ATOM 133 C PRO A 10 2.666 -3.393 11.885 1.00 0.00 C ATOM 134 O PRO A 10 2.547 -2.343 12.517 1.00 0.00 O ATOM 135 CB PRO A 10 2.734 -4.758 14.005 1.00 0.00 C ATOM 136 CG PRO A 10 3.943 -4.748 14.895 1.00 0.00 C ATOM 137 CD PRO A 10 5.166 -4.991 14.013 1.00 0.00 C ATOM 0 HA PRO A 10 2.933 -5.474 11.931 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.067 -3.931 14.251 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.164 -5.678 14.139 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.029 -3.793 15.414 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.862 -5.521 15.660 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.026 -4.414 14.352 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.463 -6.040 14.019 1.00 0.00 H new HETATM 145 N NH2 A 11 2.302 -3.449 10.634 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 0.761 -14.915 9.828 1.00 0.00 O HETATM 150 C1 A2G A 101 1.923 -15.665 10.106 1.00 0.00 C HETATM 151 C2 A2G A 101 2.109 -15.724 11.625 1.00 0.00 C HETATM 152 N2 A2G A 101 3.297 -16.503 11.954 1.00 0.00 N HETATM 153 C3 A2G A 101 0.870 -16.359 12.263 1.00 0.00 C HETATM 154 O3 A2G A 101 0.978 -16.289 13.676 1.00 0.00 O HETATM 155 C4 A2G A 101 -0.382 -15.607 11.808 1.00 0.00 C HETATM 156 O4 A2G A 101 -0.356 -14.287 12.332 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.414 -15.550 10.281 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.621 -14.732 9.820 1.00 0.00 C HETATM 159 O6 A2G A 101 -2.673 -14.866 10.765 1.00 0.00 O HETATM 160 C7 A2G A 101 4.394 -15.911 12.416 1.00 0.00 C HETATM 161 O7 A2G A 101 4.472 -14.695 12.588 1.00 0.00 O HETATM 162 C8 A2G A 101 5.615 -16.810 12.634 1.00 0.00 C HETATM 0 HO4 A2G A 101 0.189 -13.716 11.752 1.00 0.00 H new HETATM 0 HO3 A2G A 101 0.491 -15.504 14.003 1.00 0.00 H new HETATM 0 HN2 A2G A 101 3.286 -17.515 11.828 1.00 0.00 H new HETATM 0 H8B A2G A 101 5.370 -17.588 13.357 1.00 0.00 H new HETATM 0 H8A A2G A 101 5.901 -17.271 11.688 1.00 0.00 H new HETATM 0 H8 A2G A 101 6.444 -16.212 13.012 1.00 0.00 H new HETATM 0 H6 A2G A 101 -1.953 -15.074 8.840 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.483 -16.561 9.880 1.00 0.00 H new HETATM 0 H4 A2G A 101 -1.270 -16.124 12.170 1.00 0.00 H new HETATM 0 H3 A2G A 101 0.797 -17.402 11.955 1.00 0.00 H new HETATM 0 H2 A2G A 101 2.238 -14.714 12.013 1.00 0.00 H new HETATM 0 H15 A2G A 101 -3.446 -14.340 10.471 1.00 0.00 H new HETATM 0 H14 A2G A 101 -1.344 -13.683 9.715 1.00 0.00 H new HETATM 177 O A2G A 102 8.555 -14.080 4.336 1.00 0.00 O HETATM 178 C1 A2G A 102 7.224 -13.855 4.743 1.00 0.00 C HETATM 179 C2 A2G A 102 6.445 -13.295 3.550 1.00 0.00 C HETATM 180 N2 A2G A 102 5.060 -13.045 3.928 1.00 0.00 N HETATM 181 C3 A2G A 102 6.504 -14.298 2.397 1.00 0.00 C HETATM 182 O3 A2G A 102 5.899 -13.729 1.245 1.00 0.00 O HETATM 183 C4 A2G A 102 7.962 -14.641 2.090 1.00 0.00 C HETATM 184 O4 A2G A 102 8.623 -13.490 1.582 1.00 0.00 O HETATM 185 C5 A2G A 102 8.658 -15.103 3.371 1.00 0.00 C HETATM 186 C6 A2G A 102 10.139 -15.365 3.089 1.00 0.00 C HETATM 187 O6 A2G A 102 10.345 -15.460 1.688 1.00 0.00 O HETATM 188 C7 A2G A 102 4.549 -11.818 3.894 1.00 0.00 C HETATM 189 O7 A2G A 102 5.202 -10.832 3.551 1.00 0.00 O HETATM 190 C8 A2G A 102 3.050 -11.708 4.151 1.00 0.00 C HETATM 0 HO4 A2G A 102 9.521 -13.737 1.276 1.00 0.00 H new HETATM 0 HO3 A2G A 102 6.578 -13.258 0.718 1.00 0.00 H new HETATM 0 HN2 A2G A 102 4.473 -13.825 4.224 1.00 0.00 H new HETATM 0 H8B A2G A 102 2.509 -12.281 3.398 1.00 0.00 H new HETATM 0 H8A A2G A 102 2.821 -12.102 5.141 1.00 0.00 H new HETATM 0 H8 A2G A 102 2.748 -10.662 4.098 1.00 0.00 H new HETATM 0 H6 A2G A 102 10.455 -16.287 3.577 1.00 0.00 H new HETATM 0 H5 A2G A 102 8.188 -16.018 3.732 1.00 0.00 H new HETATM 0 H4 A2G A 102 7.998 -15.439 1.348 1.00 0.00 H new HETATM 0 H3 A2G A 102 5.970 -15.206 2.679 1.00 0.00 H new HETATM 0 H2 A2G A 102 6.892 -12.352 3.234 1.00 0.00 H new HETATM 0 H15 A2G A 102 11.294 -15.626 1.507 1.00 0.00 H new HETATM 0 H14 A2G A 102 10.747 -14.560 3.503 1.00 0.00 H new HETATM 205 O A2G A 103 6.820 -9.642 12.125 1.00 0.00 O HETATM 206 C1 A2G A 103 7.534 -10.272 11.084 1.00 0.00 C HETATM 207 C2 A2G A 103 8.955 -10.551 11.578 1.00 0.00 C HETATM 208 N2 A2G A 103 9.733 -11.198 10.529 1.00 0.00 N HETATM 209 C3 A2G A 103 8.889 -11.448 12.816 1.00 0.00 C HETATM 210 O3 A2G A 103 10.193 -11.608 13.355 1.00 0.00 O HETATM 211 C4 A2G A 103 7.978 -10.807 13.863 1.00 0.00 C HETATM 212 O4 A2G A 103 8.571 -9.605 14.333 1.00 0.00 O HETATM 213 C5 A2G A 103 6.620 -10.492 13.233 1.00 0.00 C HETATM 214 C6 A2G A 103 5.733 -9.770 14.249 1.00 0.00 C HETATM 215 O6 A2G A 103 6.022 -10.250 15.555 1.00 0.00 O HETATM 216 C7 A2G A 103 10.842 -10.640 10.053 1.00 0.00 C HETATM 217 O7 A2G A 103 11.275 -9.562 10.457 1.00 0.00 O HETATM 218 C8 A2G A 103 11.639 -11.477 9.056 1.00 0.00 C HETATM 0 HO4 A2G A 103 8.311 -8.862 13.749 1.00 0.00 H new HETATM 0 HO3 A2G A 103 10.311 -10.998 14.113 1.00 0.00 H new HETATM 0 HN2 A2G A 103 9.421 -12.094 10.154 1.00 0.00 H new HETATM 0 H8B A2G A 103 11.949 -12.409 9.529 1.00 0.00 H new HETATM 0 H8A A2G A 103 11.017 -11.700 8.189 1.00 0.00 H new HETATM 0 H8 A2G A 103 12.521 -10.921 8.737 1.00 0.00 H new HETATM 0 H6 A2G A 103 4.682 -9.936 14.013 1.00 0.00 H new HETATM 0 H5 A2G A 103 6.140 -11.420 12.923 1.00 0.00 H new HETATM 0 H4 A2G A 103 7.841 -11.496 14.697 1.00 0.00 H new HETATM 0 H3 A2G A 103 8.490 -12.423 12.537 1.00 0.00 H new HETATM 0 H2 A2G A 103 9.441 -9.610 11.837 1.00 0.00 H new HETATM 0 H15 A2G A 103 5.455 -9.787 16.207 1.00 0.00 H new HETATM 0 H14 A2G A 103 5.905 -8.695 14.199 1.00 0.00 H new HETATM 233 O A2G A 104 6.885 -6.900 3.285 1.00 0.00 O HETATM 234 C1 A2G A 104 6.401 -6.883 4.609 1.00 0.00 C HETATM 235 C2 A2G A 104 4.989 -6.295 4.592 1.00 0.00 C HETATM 236 N2 A2G A 104 4.448 -6.241 5.945 1.00 0.00 N HETATM 237 C3 A2G A 104 4.097 -7.162 3.702 1.00 0.00 C HETATM 238 O3 A2G A 104 2.818 -6.558 3.580 1.00 0.00 O HETATM 239 C4 A2G A 104 4.734 -7.293 2.317 1.00 0.00 C HETATM 240 O4 A2G A 104 4.737 -6.025 1.677 1.00 0.00 O HETATM 241 C5 A2G A 104 6.173 -7.795 2.461 1.00 0.00 C HETATM 242 C6 A2G A 104 6.844 -7.839 1.087 1.00 0.00 C HETATM 243 O6 A2G A 104 5.972 -8.457 0.153 1.00 0.00 O HETATM 244 C7 A2G A 104 4.134 -5.082 6.513 1.00 0.00 C HETATM 245 O7 A2G A 104 4.273 -4.000 5.942 1.00 0.00 O HETATM 246 C8 A2G A 104 3.786 -5.135 7.997 1.00 0.00 C HETATM 0 HO4 A2G A 104 5.568 -5.553 1.891 1.00 0.00 H new HETATM 0 HO3 A2G A 104 2.831 -5.910 2.845 1.00 0.00 H new HETATM 0 HN2 A2G A 104 4.308 -7.108 6.464 1.00 0.00 H new HETATM 0 H8B A2G A 104 2.925 -5.787 8.146 1.00 0.00 H new HETATM 0 H8A A2G A 104 4.637 -5.524 8.557 1.00 0.00 H new HETATM 0 H8 A2G A 104 3.547 -4.132 8.351 1.00 0.00 H new HETATM 0 H6 A2G A 104 7.782 -8.392 1.146 1.00 0.00 H new HETATM 0 H5 A2G A 104 6.169 -8.794 2.897 1.00 0.00 H new HETATM 0 H4 A2G A 104 4.161 -8.002 1.719 1.00 0.00 H new HETATM 0 H3 A2G A 104 3.989 -8.151 4.148 1.00 0.00 H new HETATM 0 H2 A2G A 104 5.024 -5.280 4.196 1.00 0.00 H new HETATM 0 H15 A2G A 104 6.401 -8.483 -0.728 1.00 0.00 H new HETATM 0 H14 A2G A 104 7.090 -6.829 0.758 1.00 0.00 H new