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+ 165:sc= -0.341 (180deg=-0.692) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 A2G O3 : rot 87:sc= 0.0572 USER MOD Single : A 101 A2G O4 : rot 93:sc= 0.0748 USER MOD Single : A 101 A2G O6 : rot 180:sc= -0.0166 USER MOD Single : A 102 A2G O3 : rot 96:sc= 0.0598 USER MOD Single : A 102 A2G O4 : rot 92:sc= 0.0708 USER MOD Single : A 102 A2G O6 : rot 180:sc= -0.0266 USER MOD Single : A 103 A2G O3 : rot 95:sc= 0.0468 USER MOD Single : A 103 A2G O4 : rot -165:sc= 0.369 USER MOD Single : A 103 A2G O6 : rot 180:sc= 0.257 USER MOD Single : A 104 A2G O3 : rot 96:sc= 0.0624 USER MOD Single : A 104 A2G O4 : rot 91:sc= 0.0709 USER MOD Single : A 104 A2G O6 : rot 180:sc= -0.0301 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 -1.346 -22.979 5.301 1.00 0.00 C HETATM 2 O ACE A 1 -1.357 -22.769 6.514 1.00 0.00 O HETATM 3 CH3 ACE A 1 -2.617 -22.835 4.470 1.00 0.00 C HETATM 0 H1 ACE A 1 -2.466 -22.076 3.703 1.00 0.00 H new HETATM 0 H2 ACE A 1 -2.852 -23.788 3.996 1.00 0.00 H new HETATM 0 H3 ACE A 1 -3.443 -22.538 5.117 1.00 0.00 H new ATOM 7 N PRO A 2 -0.261 -23.332 4.667 1.00 0.00 N ATOM 8 CA PRO A 2 1.051 -23.513 5.345 1.00 0.00 C ATOM 9 C PRO A 2 1.349 -22.380 6.324 1.00 0.00 C ATOM 10 O PRO A 2 0.731 -21.317 6.269 1.00 0.00 O ATOM 11 CB PRO A 2 2.076 -23.527 4.200 1.00 0.00 C ATOM 12 CG PRO A 2 1.309 -23.350 2.922 1.00 0.00 C ATOM 13 CD PRO A 2 -0.166 -23.597 3.234 1.00 0.00 C ATOM 0 HA PRO A 2 1.072 -24.425 5.942 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.806 -22.727 4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.630 -24.465 4.190 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.454 -22.346 2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.662 -24.048 2.163 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.814 -22.935 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.461 -24.619 2.994 1.00 0.00 H new ATOM 21 N PRO A 3 2.281 -22.595 7.213 1.00 0.00 N ATOM 22 CA PRO A 3 2.676 -21.588 8.232 1.00 0.00 C ATOM 23 C PRO A 3 2.826 -20.193 7.630 1.00 0.00 C ATOM 24 O PRO A 3 3.308 -20.039 6.509 1.00 0.00 O ATOM 25 CB PRO A 3 4.024 -22.095 8.771 1.00 0.00 C ATOM 26 CG PRO A 3 4.340 -23.364 8.036 1.00 0.00 C ATOM 27 CD PRO A 3 3.060 -23.824 7.342 1.00 0.00 C ATOM 0 HA PRO A 3 1.919 -21.488 9.010 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.806 -21.353 8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.967 -22.275 9.845 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.133 -23.197 7.307 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.698 -24.128 8.726 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.269 -24.271 6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.532 -24.574 7.931 1.00 0.00 H new ATOM 35 N THR A 4 2.407 -19.181 8.383 1.00 0.00 N ATOM 36 CA THR A 4 2.499 -17.803 7.914 1.00 0.00 C ATOM 37 C THR A 4 3.779 -17.148 8.422 1.00 0.00 C ATOM 38 O THR A 4 4.434 -17.664 9.327 1.00 0.00 O ATOM 39 CB THR A 4 1.286 -17.004 8.398 1.00 0.00 C ATOM 40 OG1 THR A 4 1.315 -16.954 9.808 1.00 0.00 O ATOM 41 CG2 THR A 4 -0.002 -17.697 7.955 1.00 0.00 C ATOM 0 H THR A 4 2.003 -19.288 9.314 1.00 0.00 H new ATOM 0 HA THR A 4 2.517 -17.810 6.824 1.00 0.00 H new ATOM 0 HB THR A 4 1.318 -15.999 7.978 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.862 -17.124 8.302 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.025 -17.762 6.867 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.040 -18.700 8.379 1.00 0.00 H new ATOM 48 N THR A 5 4.128 -16.008 7.834 1.00 0.00 N ATOM 49 CA THR A 5 5.332 -15.290 8.236 1.00 0.00 C ATOM 50 C THR A 5 5.042 -13.801 8.391 1.00 0.00 C ATOM 51 O THR A 5 4.187 -13.249 7.697 1.00 0.00 O ATOM 52 CB THR A 5 6.433 -15.491 7.190 1.00 0.00 C ATOM 53 OG1 THR A 5 5.978 -14.985 5.955 1.00 0.00 O ATOM 54 CG2 THR A 5 6.732 -16.983 7.033 1.00 0.00 C ATOM 0 H THR A 5 3.599 -15.564 7.083 1.00 0.00 H new ATOM 0 HA THR A 5 5.665 -15.685 9.196 1.00 0.00 H new ATOM 0 HB THR A 5 7.338 -14.972 7.506 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.516 -17.121 6.288 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.064 -17.390 7.988 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.830 -17.503 6.711 1.00 0.00 H new ATOM 61 N THR A 6 5.758 -13.156 9.306 1.00 0.00 N ATOM 62 CA THR A 6 5.569 -11.729 9.545 1.00 0.00 C ATOM 63 C THR A 6 6.707 -10.928 8.923 1.00 0.00 C ATOM 64 O THR A 6 7.876 -11.293 9.045 1.00 0.00 O ATOM 65 CB THR A 6 5.509 -11.455 11.049 1.00 0.00 C ATOM 66 OG1 THR A 6 6.788 -11.686 11.600 1.00 0.00 O ATOM 67 CG2 THR A 6 4.507 -12.402 11.710 1.00 0.00 C ATOM 0 H THR A 6 6.470 -13.594 9.891 1.00 0.00 H new ATOM 0 HA THR A 6 4.630 -11.422 9.084 1.00 0.00 H new ATOM 0 HB THR A 6 5.198 -10.424 11.221 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.469 -12.202 12.781 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.519 -12.247 11.276 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.818 -13.434 11.545 1.00 0.00 H new ATOM 74 N THR A 7 6.357 -9.832 8.256 1.00 0.00 N ATOM 75 CA THR A 7 7.358 -8.985 7.619 1.00 0.00 C ATOM 76 C THR A 7 7.645 -7.757 8.477 1.00 0.00 C ATOM 77 O THR A 7 6.907 -7.458 9.416 1.00 0.00 O ATOM 78 CB THR A 7 6.867 -8.542 6.238 1.00 0.00 C ATOM 79 OG1 THR A 7 5.472 -8.340 6.300 1.00 0.00 O ATOM 80 CG2 THR A 7 7.163 -9.634 5.209 1.00 0.00 C ATOM 0 H THR A 7 5.395 -9.512 8.143 1.00 0.00 H new ATOM 0 HA THR A 7 8.277 -9.561 7.510 1.00 0.00 H new ATOM 0 HB THR A 7 7.374 -7.622 5.946 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.812 -9.314 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.237 -9.815 5.169 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.651 -10.553 5.496 1.00 0.00 H new ATOM 87 N LYS A 8 8.720 -7.049 8.148 1.00 0.00 N ATOM 88 CA LYS A 8 9.095 -5.854 8.896 1.00 0.00 C ATOM 89 C LYS A 8 8.264 -4.657 8.443 1.00 0.00 C ATOM 90 O LYS A 8 8.652 -3.930 7.528 1.00 0.00 O ATOM 91 CB LYS A 8 10.581 -5.554 8.690 1.00 0.00 C ATOM 92 CG LYS A 8 11.413 -6.427 9.630 1.00 0.00 C ATOM 93 CD LYS A 8 12.901 -6.157 9.395 1.00 0.00 C ATOM 94 CE LYS A 8 13.525 -7.348 8.665 1.00 0.00 C ATOM 95 NZ LYS A 8 12.734 -7.650 7.439 1.00 0.00 N ATOM 0 H LYS A 8 9.343 -7.279 7.374 1.00 0.00 H new ATOM 0 HA LYS A 8 8.905 -6.035 9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.862 -5.746 7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.780 -4.500 8.884 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.153 -6.213 10.667 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.192 -7.480 9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.028 -5.248 8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.407 -5.994 10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.558 -7.124 8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.547 -8.219 9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.284 -8.276 6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.846 -8.121 7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.519 -6.765 6.937 1.00 0.00 H new ATOM 109 N LYS A 9 7.121 -4.458 9.090 1.00 0.00 N ATOM 110 CA LYS A 9 6.243 -3.345 8.746 1.00 0.00 C ATOM 111 C LYS A 9 6.940 -2.012 9.005 1.00 0.00 C ATOM 112 O LYS A 9 7.897 -1.940 9.775 1.00 0.00 O ATOM 113 CB LYS A 9 4.957 -3.419 9.571 1.00 0.00 C ATOM 114 CG LYS A 9 5.138 -4.426 10.709 1.00 0.00 C ATOM 115 CD LYS A 9 3.965 -4.309 11.685 1.00 0.00 C ATOM 116 CE LYS A 9 4.178 -5.268 12.857 1.00 0.00 C ATOM 117 NZ LYS A 9 5.067 -4.628 13.868 1.00 0.00 N ATOM 0 H LYS A 9 6.782 -5.048 9.850 1.00 0.00 H new ATOM 0 HA LYS A 9 5.999 -3.415 7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.715 -2.436 9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.122 -3.717 8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.192 -5.438 10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.078 -4.239 11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.882 -3.285 12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.030 -4.542 11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.220 -5.524 13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.622 -6.198 12.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.212 -5.280 14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.984 -4.405 13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.626 -3.752 14.213 1.00 0.00 H new ATOM 131 N PRO A 10 6.475 -0.968 8.377 1.00 0.00 N ATOM 132 CA PRO A 10 7.054 0.394 8.527 1.00 0.00 C ATOM 133 C PRO A 10 7.342 0.734 9.987 1.00 0.00 C ATOM 134 O PRO A 10 6.975 -0.022 10.886 1.00 0.00 O ATOM 135 CB PRO A 10 5.983 1.333 7.949 1.00 0.00 C ATOM 136 CG PRO A 10 4.841 0.470 7.498 1.00 0.00 C ATOM 137 CD PRO A 10 5.342 -0.971 7.452 1.00 0.00 C ATOM 0 HA PRO A 10 8.012 0.482 8.015 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.652 2.049 8.701 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.384 1.909 7.115 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.998 0.561 8.184 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.488 0.784 6.516 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.570 -1.674 7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.646 -1.258 6.446 1.00 0.00 H new HETATM 145 N NH2 A 11 7.981 1.834 10.277 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 0.582 -14.755 10.080 1.00 0.00 O HETATM 150 C1 A2G A 101 1.633 -15.669 10.295 1.00 0.00 C HETATM 151 C2 A2G A 101 1.874 -15.776 11.802 1.00 0.00 C HETATM 152 N2 A2G A 101 2.961 -16.710 12.073 1.00 0.00 N HETATM 153 C3 A2G A 101 0.589 -16.252 12.483 1.00 0.00 C HETATM 154 O3 A2G A 101 0.762 -16.229 13.892 1.00 0.00 O HETATM 155 C4 A2G A 101 -0.566 -15.325 12.097 1.00 0.00 C HETATM 156 O4 A2G A 101 -0.341 -14.035 12.645 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.652 -15.225 10.573 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.747 -14.231 10.182 1.00 0.00 C HETATM 159 O6 A2G A 101 -2.878 -14.420 11.020 1.00 0.00 O HETATM 160 C7 A2G A 101 4.058 -16.321 12.713 1.00 0.00 C HETATM 161 O7 A2G A 101 4.227 -15.168 13.114 1.00 0.00 O HETATM 162 C8 A2G A 101 5.144 -17.376 12.891 1.00 0.00 C HETATM 0 HO4 A2G A 101 0.119 -13.475 11.985 1.00 0.00 H new HETATM 0 HO3 A2G A 101 0.533 -15.340 14.235 1.00 0.00 H new HETATM 0 HN2 A2G A 101 2.877 -17.679 11.766 1.00 0.00 H new HETATM 0 H8B A2G A 101 4.746 -18.215 13.461 1.00 0.00 H new HETATM 0 H8A A2G A 101 5.475 -17.726 11.913 1.00 0.00 H new HETATM 0 H8 A2G A 101 5.989 -16.942 13.426 1.00 0.00 H new HETATM 0 H6 A2G A 101 -2.026 -14.373 9.138 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.883 -16.205 10.156 1.00 0.00 H new HETATM 0 H4 A2G A 101 -1.501 -15.727 12.488 1.00 0.00 H new HETATM 0 H3 A2G A 101 0.363 -17.269 12.161 1.00 0.00 H new HETATM 0 H2 A2G A 101 2.153 -14.798 12.195 1.00 0.00 H new HETATM 0 H15 A2G A 101 -3.580 -13.782 10.771 1.00 0.00 H new HETATM 0 H14 A2G A 101 -1.377 -13.210 10.277 1.00 0.00 H new HETATM 177 O A2G A 102 8.039 -14.111 5.293 1.00 0.00 O HETATM 178 C1 A2G A 102 6.683 -13.831 5.553 1.00 0.00 C HETATM 179 C2 A2G A 102 6.046 -13.307 4.264 1.00 0.00 C HETATM 180 N2 A2G A 102 4.640 -12.996 4.489 1.00 0.00 N HETATM 181 C3 A2G A 102 6.183 -14.368 3.170 1.00 0.00 C HETATM 182 O3 A2G A 102 5.713 -13.840 1.938 1.00 0.00 O HETATM 183 C4 A2G A 102 7.653 -14.764 3.026 1.00 0.00 C HETATM 184 O4 A2G A 102 8.397 -13.659 2.534 1.00 0.00 O HETATM 185 C5 A2G A 102 8.205 -15.183 4.390 1.00 0.00 C HETATM 186 C6 A2G A 102 9.698 -15.496 4.271 1.00 0.00 C HETATM 187 O6 A2G A 102 9.925 -16.272 3.104 1.00 0.00 O HETATM 188 C7 A2G A 102 4.172 -11.763 4.319 1.00 0.00 C HETATM 189 O7 A2G A 102 4.881 -10.820 3.968 1.00 0.00 O HETATM 190 C8 A2G A 102 2.674 -11.577 4.532 1.00 0.00 C HETATM 0 HO4 A2G A 102 8.758 -13.146 3.287 1.00 0.00 H new HETATM 0 HO3 A2G A 102 6.471 -13.500 1.418 1.00 0.00 H new HETATM 0 HN2 A2G A 102 4.004 -13.737 4.782 1.00 0.00 H new HETATM 0 H8B A2G A 102 2.126 -12.206 3.830 1.00 0.00 H new HETATM 0 H8A A2G A 102 2.414 -11.859 5.552 1.00 0.00 H new HETATM 0 H8 A2G A 102 2.410 -10.533 4.366 1.00 0.00 H new HETATM 0 H6 A2G A 102 10.039 -16.038 5.153 1.00 0.00 H new HETATM 0 H5 A2G A 102 7.674 -16.068 4.742 1.00 0.00 H new HETATM 0 H4 A2G A 102 7.737 -15.597 2.328 1.00 0.00 H new HETATM 0 H3 A2G A 102 5.594 -15.245 3.438 1.00 0.00 H new HETATM 0 H2 A2G A 102 6.555 -12.395 3.952 1.00 0.00 H new HETATM 0 H15 A2G A 102 10.881 -16.472 3.025 1.00 0.00 H new HETATM 0 H14 A2G A 102 10.272 -14.571 4.223 1.00 0.00 H new HETATM 205 O A2G A 103 6.803 -9.889 13.089 1.00 0.00 O HETATM 206 C1 A2G A 103 7.434 -10.492 11.981 1.00 0.00 C HETATM 207 C2 A2G A 103 8.872 -10.833 12.378 1.00 0.00 C HETATM 208 N2 A2G A 103 9.567 -11.455 11.257 1.00 0.00 N HETATM 209 C3 A2G A 103 8.850 -11.782 13.577 1.00 0.00 C HETATM 210 O3 A2G A 103 10.178 -12.001 14.032 1.00 0.00 O HETATM 211 C4 A2G A 103 8.021 -11.163 14.704 1.00 0.00 C HETATM 212 O4 A2G A 103 8.677 -10.002 15.191 1.00 0.00 O HETATM 213 C5 A2G A 103 6.639 -10.781 14.169 1.00 0.00 C HETATM 214 C6 A2G A 103 5.836 -10.080 15.267 1.00 0.00 C HETATM 215 O6 A2G A 103 6.388 -10.403 16.535 1.00 0.00 O HETATM 216 C7 A2G A 103 10.666 -10.912 10.743 1.00 0.00 C HETATM 217 O7 A2G A 103 11.161 -9.869 11.171 1.00 0.00 O HETATM 218 C8 A2G A 103 11.244 -11.603 9.513 1.00 0.00 C HETATM 0 HO4 A2G A 103 8.285 -9.741 16.051 1.00 0.00 H new HETATM 0 HO3 A2G A 103 10.378 -11.384 14.767 1.00 0.00 H new HETATM 0 HN2 A2G A 103 9.204 -12.322 10.861 1.00 0.00 H new HETATM 0 H8B A2G A 103 11.505 -12.632 9.762 1.00 0.00 H new HETATM 0 H8A A2G A 103 10.504 -11.600 8.713 1.00 0.00 H new HETATM 0 H8 A2G A 103 12.137 -11.072 9.183 1.00 0.00 H new HETATM 0 H6 A2G A 103 4.792 -10.390 15.223 1.00 0.00 H new HETATM 0 H5 A2G A 103 6.111 -11.679 13.847 1.00 0.00 H new HETATM 0 H4 A2G A 103 7.911 -11.885 15.513 1.00 0.00 H new HETATM 0 H3 A2G A 103 8.406 -12.732 13.279 1.00 0.00 H new HETATM 0 H2 A2G A 103 9.401 -9.919 12.649 1.00 0.00 H new HETATM 0 H15 A2G A 103 5.876 -9.953 17.239 1.00 0.00 H new HETATM 0 H14 A2G A 103 5.855 -9.001 15.114 1.00 0.00 H new HETATM 233 O A2G A 104 5.291 -6.282 5.216 1.00 0.00 O HETATM 234 C1 A2G A 104 5.130 -6.979 6.431 1.00 0.00 C HETATM 235 C2 A2G A 104 3.658 -6.893 6.839 1.00 0.00 C HETATM 236 N2 A2G A 104 3.445 -7.597 8.098 1.00 0.00 N HETATM 237 C3 A2G A 104 2.794 -7.510 5.738 1.00 0.00 C HETATM 238 O3 A2G A 104 1.422 -7.320 6.048 1.00 0.00 O HETATM 239 C4 A2G A 104 3.114 -6.837 4.401 1.00 0.00 C HETATM 240 O4 A2G A 104 2.701 -5.479 4.446 1.00 0.00 O HETATM 241 C5 A2G A 104 4.619 -6.904 4.144 1.00 0.00 C HETATM 242 C6 A2G A 104 4.956 -6.154 2.853 1.00 0.00 C HETATM 243 O6 A2G A 104 3.863 -6.249 1.952 1.00 0.00 O HETATM 244 C7 A2G A 104 2.982 -6.963 9.170 1.00 0.00 C HETATM 245 O7 A2G A 104 2.708 -5.763 9.173 1.00 0.00 O HETATM 246 C8 A2G A 104 2.823 -7.803 10.433 1.00 0.00 C HETATM 0 HO4 A2G A 104 3.444 -4.921 4.759 1.00 0.00 H new HETATM 0 HO3 A2G A 104 1.088 -6.527 5.580 1.00 0.00 H new HETATM 0 HN2 A2G A 104 3.655 -8.593 8.157 1.00 0.00 H new HETATM 0 H8B A2G A 104 2.126 -8.619 10.242 1.00 0.00 H new HETATM 0 H8A A2G A 104 3.791 -8.213 10.721 1.00 0.00 H new HETATM 0 H8 A2G A 104 2.439 -7.178 11.239 1.00 0.00 H new HETATM 0 H6 A2G A 104 5.853 -6.575 2.399 1.00 0.00 H new HETATM 0 H5 A2G A 104 4.927 -7.946 4.053 1.00 0.00 H new HETATM 0 H4 A2G A 104 2.586 -7.352 3.598 1.00 0.00 H new HETATM 0 H3 A2G A 104 3.004 -8.577 5.667 1.00 0.00 H new HETATM 0 H2 A2G A 104 3.380 -5.848 6.975 1.00 0.00 H new HETATM 0 H15 A2G A 104 4.077 -5.768 1.126 1.00 0.00 H new HETATM 0 H14 A2G A 104 5.170 -5.108 3.073 1.00 0.00 H new