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+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 152:sc= -0.0721 (180deg=-0.706) USER MOD Single : A 101 A2G O3 : rot 90:sc= 0.0656 USER MOD Single : A 101 A2G O4 : rot 92:sc= 0.0785 USER MOD Single : A 101 A2G O6 : rot 180:sc= -0.0137 USER MOD Single : A 102 A2G O3 : rot 96:sc= 0.0453 USER MOD Single : A 102 A2G O4 : rot -174:sc= 0.675 USER MOD Single : A 102 A2G O6 : rot 180:sc= 0.562 USER MOD Single : A 103 A2G O3 : rot 96:sc= 0.0471 USER MOD Single : A 103 A2G O4 : rot -164:sc= 0.334 USER MOD Single : A 103 A2G O6 : rot 180:sc= 0.229 USER MOD Single : A 104 A2G O3 : rot 89:sc= 0.0496 USER MOD Single : A 104 A2G O4 : rot -166:sc= 0.433 USER MOD Single : A 104 A2G O6 : rot 180:sc= 0.316 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 -0.129 -23.302 4.858 1.00 0.00 C HETATM 2 O ACE A 1 -0.013 -22.076 4.858 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.240 -24.125 3.628 1.00 0.00 C HETATM 0 H1 ACE A 1 1.030 -24.830 3.886 1.00 0.00 H new HETATM 0 H2 ACE A 1 -0.636 -24.673 3.280 1.00 0.00 H new HETATM 0 H3 ACE A 1 0.590 -23.461 2.838 1.00 0.00 H new ATOM 7 N PRO A 2 -0.570 -23.955 5.897 1.00 0.00 N ATOM 8 CA PRO A 2 -0.971 -23.288 7.164 1.00 0.00 C ATOM 9 C PRO A 2 0.042 -22.232 7.602 1.00 0.00 C ATOM 10 O PRO A 2 -0.317 -21.079 7.847 1.00 0.00 O ATOM 11 CB PRO A 2 -1.046 -24.428 8.192 1.00 0.00 C ATOM 12 CG PRO A 2 -0.683 -25.694 7.474 1.00 0.00 C ATOM 13 CD PRO A 2 -0.738 -25.406 5.975 1.00 0.00 C ATOM 0 HA PRO A 2 -1.915 -22.755 7.053 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -0.362 -24.245 9.020 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -2.048 -24.499 8.616 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.314 -26.026 7.764 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.375 -26.495 7.736 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.052 -25.930 5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.686 -25.724 5.540 1.00 0.00 H new ATOM 21 N PRO A 3 1.291 -22.613 7.707 1.00 0.00 N ATOM 22 CA PRO A 3 2.392 -21.701 8.136 1.00 0.00 C ATOM 23 C PRO A 3 2.305 -20.335 7.460 1.00 0.00 C ATOM 24 O PRO A 3 1.733 -20.202 6.378 1.00 0.00 O ATOM 25 CB PRO A 3 3.679 -22.434 7.726 1.00 0.00 C ATOM 26 CG PRO A 3 3.261 -23.723 7.079 1.00 0.00 C ATOM 27 CD PRO A 3 1.792 -23.956 7.426 1.00 0.00 C ATOM 0 HA PRO A 3 2.346 -21.494 9.205 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.265 -21.828 7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.308 -22.625 8.595 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.396 -23.671 5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.875 -24.549 7.438 1.00 0.00 H new ATOM 0 HD2 PRO A 3 1.253 -24.421 6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.683 -24.614 8.288 1.00 0.00 H new ATOM 35 N THR A 4 2.872 -19.325 8.112 1.00 0.00 N ATOM 36 CA THR A 4 2.851 -17.971 7.575 1.00 0.00 C ATOM 37 C THR A 4 4.149 -17.242 7.911 1.00 0.00 C ATOM 38 O THR A 4 4.952 -17.721 8.711 1.00 0.00 O ATOM 39 CB THR A 4 1.665 -17.202 8.162 1.00 0.00 C ATOM 40 OG1 THR A 4 1.822 -17.130 9.563 1.00 0.00 O ATOM 41 CG2 THR A 4 0.363 -17.940 7.848 1.00 0.00 C ATOM 0 H THR A 4 3.349 -19.419 9.009 1.00 0.00 H new ATOM 0 HA THR A 4 2.751 -18.027 6.491 1.00 0.00 H new ATOM 0 HB THR A 4 1.628 -16.202 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.478 -17.389 8.268 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.241 -18.020 6.768 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.396 -18.938 8.284 1.00 0.00 H new ATOM 48 N THR A 5 4.348 -16.082 7.293 1.00 0.00 N ATOM 49 CA THR A 5 5.554 -15.298 7.535 1.00 0.00 C ATOM 50 C THR A 5 5.201 -13.829 7.742 1.00 0.00 C ATOM 51 O THR A 5 4.308 -13.293 7.086 1.00 0.00 O ATOM 52 CB THR A 5 6.516 -15.440 6.353 1.00 0.00 C ATOM 53 OG1 THR A 5 5.930 -14.828 5.224 1.00 0.00 O ATOM 54 CG2 THR A 5 6.747 -16.921 6.047 1.00 0.00 C ATOM 0 H THR A 5 3.696 -15.667 6.627 1.00 0.00 H new ATOM 0 HA THR A 5 6.037 -15.673 8.437 1.00 0.00 H new ATOM 0 HB THR A 5 7.468 -14.969 6.596 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.432 -17.016 5.205 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.176 -17.411 6.921 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.797 -17.393 5.797 1.00 0.00 H new ATOM 61 N THR A 6 5.911 -13.184 8.664 1.00 0.00 N ATOM 62 CA THR A 6 5.673 -11.775 8.959 1.00 0.00 C ATOM 63 C THR A 6 6.763 -10.901 8.348 1.00 0.00 C ATOM 64 O THR A 6 7.751 -11.405 7.813 1.00 0.00 O ATOM 65 CB THR A 6 5.630 -11.560 10.473 1.00 0.00 C ATOM 66 OG1 THR A 6 6.920 -11.789 10.997 1.00 0.00 O ATOM 67 CG2 THR A 6 4.657 -12.553 11.110 1.00 0.00 C ATOM 0 H THR A 6 6.653 -13.613 9.217 1.00 0.00 H new ATOM 0 HA THR A 6 4.715 -11.491 8.523 1.00 0.00 H new ATOM 0 HB THR A 6 5.303 -10.543 10.689 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.630 -12.395 12.188 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.660 -12.402 10.696 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.986 -13.571 10.900 1.00 0.00 H new ATOM 74 N THR A 7 6.571 -9.588 8.430 1.00 0.00 N ATOM 75 CA THR A 7 7.542 -8.647 7.882 1.00 0.00 C ATOM 76 C THR A 7 7.740 -7.469 8.830 1.00 0.00 C ATOM 77 O THR A 7 6.846 -7.120 9.601 1.00 0.00 O ATOM 78 CB THR A 7 7.066 -8.141 6.518 1.00 0.00 C ATOM 79 OG1 THR A 7 5.672 -7.941 6.580 1.00 0.00 O ATOM 80 CG2 THR A 7 7.365 -9.188 5.443 1.00 0.00 C ATOM 0 H THR A 7 5.758 -9.154 8.867 1.00 0.00 H new ATOM 0 HA THR A 7 8.495 -9.163 7.763 1.00 0.00 H new ATOM 0 HB THR A 7 7.580 -7.212 6.271 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.024 -8.823 4.474 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.438 -9.373 5.404 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.846 -10.116 5.684 1.00 0.00 H new ATOM 87 N LYS A 8 8.921 -6.862 8.763 1.00 0.00 N ATOM 88 CA LYS A 8 9.234 -5.722 9.617 1.00 0.00 C ATOM 89 C LYS A 8 8.631 -4.445 9.042 1.00 0.00 C ATOM 90 O LYS A 8 9.193 -3.838 8.130 1.00 0.00 O ATOM 91 CB LYS A 8 10.751 -5.563 9.741 1.00 0.00 C ATOM 92 CG LYS A 8 11.332 -6.771 10.480 1.00 0.00 C ATOM 93 CD LYS A 8 11.885 -6.322 11.833 1.00 0.00 C ATOM 94 CE LYS A 8 13.115 -5.438 11.615 1.00 0.00 C ATOM 95 NZ LYS A 8 12.940 -4.150 12.342 1.00 0.00 N ATOM 0 H LYS A 8 9.672 -7.138 8.131 1.00 0.00 H new ATOM 0 HA LYS A 8 8.807 -5.901 10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.201 -5.478 8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.988 -4.645 10.279 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.561 -7.529 10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.123 -7.229 9.886 1.00 0.00 H new ATOM 0 HD2 LYS A 8 11.123 -5.772 12.385 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.151 -7.191 12.435 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.010 -5.949 11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.256 -5.250 10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.777 -3.551 12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.095 -3.661 11.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.826 -4.338 13.358 1.00 0.00 H new ATOM 109 N LYS A 9 7.484 -4.042 9.580 1.00 0.00 N ATOM 110 CA LYS A 9 6.813 -2.836 9.110 1.00 0.00 C ATOM 111 C LYS A 9 5.578 -2.542 9.956 1.00 0.00 C ATOM 112 O LYS A 9 4.504 -2.255 9.429 1.00 0.00 O ATOM 113 CB LYS A 9 6.402 -3.003 7.646 1.00 0.00 C ATOM 114 CG LYS A 9 6.431 -1.641 6.948 1.00 0.00 C ATOM 115 CD LYS A 9 5.966 -1.798 5.500 1.00 0.00 C ATOM 116 CE LYS A 9 7.124 -1.474 4.554 1.00 0.00 C ATOM 117 NZ LYS A 9 8.284 -2.356 4.867 1.00 0.00 N ATOM 0 H LYS A 9 7.003 -4.529 10.336 1.00 0.00 H new ATOM 0 HA LYS A 9 7.507 -2.001 9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.078 -3.695 7.144 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.402 -3.433 7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.785 -0.938 7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.440 -1.229 6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.616 -2.816 5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.125 -1.134 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.813 -1.618 3.519 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.411 -0.428 4.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.854 -2.498 4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.870 -1.911 5.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.939 -3.275 5.209 1.00 0.00 H new ATOM 131 N PRO A 10 5.718 -2.611 11.251 1.00 0.00 N ATOM 132 CA PRO A 10 4.604 -2.353 12.203 1.00 0.00 C ATOM 133 C PRO A 10 3.801 -1.113 11.819 1.00 0.00 C ATOM 134 O PRO A 10 4.333 -0.198 11.189 1.00 0.00 O ATOM 135 CB PRO A 10 5.298 -2.154 13.561 1.00 0.00 C ATOM 136 CG PRO A 10 6.773 -2.303 13.326 1.00 0.00 C ATOM 137 CD PRO A 10 6.957 -2.944 11.952 1.00 0.00 C ATOM 0 HA PRO A 10 3.885 -3.172 12.212 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.070 -1.170 13.970 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.947 -2.889 14.285 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.267 -1.332 13.365 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.224 -2.922 14.101 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.830 -2.544 11.436 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.098 -4.022 12.028 1.00 0.00 H new HETATM 145 N NH2 A 11 2.547 -1.026 12.167 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 1.048 -14.962 9.929 1.00 0.00 O HETATM 150 C1 A2G A 101 2.152 -15.832 10.012 1.00 0.00 C HETATM 151 C2 A2G A 101 2.563 -15.926 11.480 1.00 0.00 C HETATM 152 N2 A2G A 101 3.738 -16.784 11.618 1.00 0.00 N HETATM 153 C3 A2G A 101 1.391 -16.496 12.282 1.00 0.00 C HETATM 154 O3 A2G A 101 1.710 -16.480 13.664 1.00 0.00 O HETATM 155 C4 A2G A 101 0.139 -15.647 12.038 1.00 0.00 C HETATM 156 O4 A2G A 101 0.321 -14.361 12.611 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.107 -15.505 10.532 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.280 -14.553 10.288 1.00 0.00 C HETATM 159 O6 A2G A 101 -2.216 -14.676 11.349 1.00 0.00 O HETATM 160 C7 A2G A 101 4.826 -16.383 12.276 1.00 0.00 C HETATM 161 O7 A2G A 101 4.925 -15.278 12.810 1.00 0.00 O HETATM 162 C8 A2G A 101 5.961 -17.398 12.373 1.00 0.00 C HETATM 0 HO4 A2G A 101 0.691 -13.752 11.938 1.00 0.00 H new HETATM 0 HO3 A2G A 101 1.422 -15.629 14.056 1.00 0.00 H new HETATM 0 HN2 A2G A 101 3.725 -17.714 11.200 1.00 0.00 H new HETATM 0 H8B A2G A 101 5.608 -18.291 12.889 1.00 0.00 H new HETATM 0 H8A A2G A 101 6.296 -17.667 11.371 1.00 0.00 H new HETATM 0 H8 A2G A 101 6.792 -16.963 12.928 1.00 0.00 H new HETATM 0 H6 A2G A 101 -1.759 -14.785 9.337 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.334 -16.483 10.108 1.00 0.00 H new HETATM 0 H4 A2G A 101 -0.721 -16.134 12.498 1.00 0.00 H new HETATM 0 H3 A2G A 101 1.201 -17.521 11.964 1.00 0.00 H new HETATM 0 H2 A2G A 101 2.818 -14.936 11.858 1.00 0.00 H new HETATM 0 H15 A2G A 101 -2.967 -14.066 11.195 1.00 0.00 H new HETATM 0 H14 A2G A 101 -0.921 -13.526 10.222 1.00 0.00 H new HETATM 177 O A2G A 102 7.914 -13.955 4.355 1.00 0.00 O HETATM 178 C1 A2G A 102 6.613 -13.663 4.818 1.00 0.00 C HETATM 179 C2 A2G A 102 5.829 -13.017 3.673 1.00 0.00 C HETATM 180 N2 A2G A 102 4.474 -12.704 4.110 1.00 0.00 N HETATM 181 C3 A2G A 102 5.793 -13.973 2.477 1.00 0.00 C HETATM 182 O3 A2G A 102 5.186 -13.324 1.370 1.00 0.00 O HETATM 183 C4 A2G A 102 7.220 -14.380 2.110 1.00 0.00 C HETATM 184 O4 A2G A 102 7.930 -13.245 1.637 1.00 0.00 O HETATM 185 C5 A2G A 102 7.922 -14.942 3.348 1.00 0.00 C HETATM 186 C6 A2G A 102 9.373 -15.286 3.008 1.00 0.00 C HETATM 187 O6 A2G A 102 9.549 -15.257 1.599 1.00 0.00 O HETATM 188 C7 A2G A 102 4.059 -11.446 4.209 1.00 0.00 C HETATM 189 O7 A2G A 102 4.781 -10.488 3.933 1.00 0.00 O HETATM 190 C8 A2G A 102 2.762 -11.235 4.983 1.00 0.00 C HETATM 0 HO4 A2G A 102 8.812 -13.523 1.312 1.00 0.00 H new HETATM 0 HO3 A2G A 102 5.881 -12.948 0.790 1.00 0.00 H new HETATM 0 HN2 A2G A 102 3.834 -13.463 4.344 1.00 0.00 H new HETATM 0 H8B A2G A 102 1.955 -11.785 4.498 1.00 0.00 H new HETATM 0 H8A A2G A 102 2.885 -11.597 6.004 1.00 0.00 H new HETATM 0 H8 A2G A 102 2.518 -10.173 5.001 1.00 0.00 H new HETATM 0 H6 A2G A 102 9.625 -16.273 3.396 1.00 0.00 H new HETATM 0 H5 A2G A 102 7.406 -15.840 3.686 1.00 0.00 H new HETATM 0 H4 A2G A 102 7.192 -15.141 1.330 1.00 0.00 H new HETATM 0 H3 A2G A 102 5.216 -14.861 2.737 1.00 0.00 H new HETATM 0 H2 A2G A 102 6.320 -12.091 3.376 1.00 0.00 H new HETATM 0 H15 A2G A 102 10.479 -15.476 1.381 1.00 0.00 H new HETATM 0 H14 A2G A 102 10.048 -14.575 3.484 1.00 0.00 H new HETATM 205 O A2G A 103 6.926 -10.048 12.557 1.00 0.00 O HETATM 206 C1 A2G A 103 7.555 -10.603 11.422 1.00 0.00 C HETATM 207 C2 A2G A 103 9.000 -10.942 11.793 1.00 0.00 C HETATM 208 N2 A2G A 103 9.691 -11.511 10.643 1.00 0.00 N HETATM 209 C3 A2G A 103 8.997 -11.938 12.952 1.00 0.00 C HETATM 210 O3 A2G A 103 10.330 -12.168 13.382 1.00 0.00 O HETATM 211 C4 A2G A 103 8.178 -11.368 14.111 1.00 0.00 C HETATM 212 O4 A2G A 103 8.833 -10.220 14.633 1.00 0.00 O HETATM 213 C5 A2G A 103 6.786 -10.977 13.609 1.00 0.00 C HETATM 214 C6 A2G A 103 5.996 -10.318 14.742 1.00 0.00 C HETATM 215 O6 A2G A 103 6.558 -10.695 15.991 1.00 0.00 O HETATM 216 C7 A2G A 103 10.792 -10.948 10.155 1.00 0.00 C HETATM 217 O7 A2G A 103 11.291 -9.929 10.632 1.00 0.00 O HETATM 218 C8 A2G A 103 11.387 -11.599 8.911 1.00 0.00 C HETATM 0 HO4 A2G A 103 8.462 -10.004 15.514 1.00 0.00 H new HETATM 0 HO3 A2G A 103 10.531 -11.590 14.147 1.00 0.00 H new HETATM 0 HN2 A2G A 103 9.324 -12.356 10.205 1.00 0.00 H new HETATM 0 H8B A2G A 103 11.651 -12.633 9.133 1.00 0.00 H new HETATM 0 H8A A2G A 103 10.655 -11.577 8.103 1.00 0.00 H new HETATM 0 H8 A2G A 103 12.280 -11.053 8.607 1.00 0.00 H new HETATM 0 H6 A2G A 103 4.950 -10.621 14.695 1.00 0.00 H new HETATM 0 H5 A2G A 103 6.260 -11.867 13.265 1.00 0.00 H new HETATM 0 H4 A2G A 103 8.083 -12.120 14.894 1.00 0.00 H new HETATM 0 H3 A2G A 103 8.555 -12.878 12.622 1.00 0.00 H new HETATM 0 H2 A2G A 103 9.522 -10.034 12.095 1.00 0.00 H new HETATM 0 H15 A2G A 103 6.054 -10.272 16.717 1.00 0.00 H new HETATM 0 H14 A2G A 103 6.019 -9.234 14.633 1.00 0.00 H new HETATM 233 O A2G A 104 5.468 -5.860 5.496 1.00 0.00 O HETATM 234 C1 A2G A 104 5.306 -6.581 6.705 1.00 0.00 C HETATM 235 C2 A2G A 104 3.836 -6.519 7.123 1.00 0.00 C HETATM 236 N2 A2G A 104 3.636 -7.267 8.358 1.00 0.00 N HETATM 237 C3 A2G A 104 2.973 -7.104 6.008 1.00 0.00 C HETATM 238 O3 A2G A 104 1.601 -6.968 6.350 1.00 0.00 O HETATM 239 C4 A2G A 104 3.253 -6.352 4.710 1.00 0.00 C HETATM 240 O4 A2G A 104 2.845 -4.999 4.849 1.00 0.00 O HETATM 241 C5 A2G A 104 4.752 -6.404 4.403 1.00 0.00 C HETATM 242 C6 A2G A 104 5.047 -5.562 3.160 1.00 0.00 C HETATM 243 O6 A2G A 104 3.844 -5.348 2.438 1.00 0.00 O HETATM 244 C7 A2G A 104 3.205 -6.668 9.463 1.00 0.00 C HETATM 245 O7 A2G A 104 2.950 -5.464 9.514 1.00 0.00 O HETATM 246 C8 A2G A 104 3.218 -7.513 10.731 1.00 0.00 C HETATM 0 HO4 A2G A 104 2.820 -4.573 3.967 1.00 0.00 H new HETATM 0 HO3 A2G A 104 1.266 -6.107 6.022 1.00 0.00 H new HETATM 0 HN2 A2G A 104 3.830 -8.268 8.374 1.00 0.00 H new HETATM 0 H8B A2G A 104 2.580 -8.386 10.593 1.00 0.00 H new HETATM 0 H8A A2G A 104 4.237 -7.837 10.942 1.00 0.00 H new HETATM 0 H8 A2G A 104 2.846 -6.921 11.567 1.00 0.00 H new HETATM 0 H6 A2G A 104 5.777 -6.069 2.529 1.00 0.00 H new HETATM 0 H5 A2G A 104 5.051 -7.438 4.232 1.00 0.00 H new HETATM 0 H4 A2G A 104 2.699 -6.817 3.894 1.00 0.00 H new HETATM 0 H3 A2G A 104 3.209 -8.160 5.877 1.00 0.00 H new HETATM 0 H2 A2G A 104 3.550 -5.482 7.296 1.00 0.00 H new HETATM 0 H15 A2G A 104 4.032 -4.807 1.643 1.00 0.00 H new HETATM 0 H14 A2G A 104 5.485 -4.607 3.450 1.00 0.00 H new