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 90:sc= 0.0595 USER MOD Single : A 101 A2G O4 : rot 81:sc= 0.0767 USER MOD Single : A 101 A2G O6 : rot 180:sc= -0.0534 USER MOD Single : A 102 A2G O3 : rot 85:sc= 0.0635 USER MOD Single : A 102 A2G O4 : rot 94:sc= 0.0663 USER MOD Single : A 102 A2G O6 : rot 180:sc= -0.021 USER MOD Single : A 103 A2G O3 : rot 98:sc= 0.058 USER MOD Single : A 103 A2G O4 : rot 84:sc= 0.0601 USER MOD Single : A 103 A2G O6 : rot 180:sc= -0.0828 USER MOD Single : A 104 A2G O3 : rot 101:sc= 0.0493 USER MOD Single : A 104 A2G O4 : rot -164:sc= 0.388 USER MOD Single : A 104 A2G O6 : rot 180:sc= 0.292 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 -0.087 -24.704 6.265 1.00 0.00 C HETATM 2 O ACE A 1 0.345 -24.629 7.415 1.00 0.00 O HETATM 3 CH3 ACE A 1 -1.562 -24.986 5.999 1.00 0.00 C HETATM 0 H1 ACE A 1 -1.995 -24.159 5.436 1.00 0.00 H new HETATM 0 H2 ACE A 1 -1.658 -25.907 5.424 1.00 0.00 H new HETATM 0 H3 ACE A 1 -2.089 -25.094 6.947 1.00 0.00 H new ATOM 7 N PRO A 2 0.684 -24.548 5.224 1.00 0.00 N ATOM 8 CA PRO A 2 2.141 -24.268 5.328 1.00 0.00 C ATOM 9 C PRO A 2 2.445 -23.203 6.380 1.00 0.00 C ATOM 10 O PRO A 2 1.537 -22.674 7.023 1.00 0.00 O ATOM 11 CB PRO A 2 2.539 -23.778 3.926 1.00 0.00 C ATOM 12 CG PRO A 2 1.295 -23.796 3.086 1.00 0.00 C ATOM 13 CD PRO A 2 0.250 -24.623 3.830 1.00 0.00 C ATOM 0 HA PRO A 2 2.698 -25.151 5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.958 -22.773 3.973 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.305 -24.423 3.495 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.932 -22.782 2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.500 -24.229 2.107 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.752 -24.215 3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 2 0.224 -25.652 3.473 1.00 0.00 H new ATOM 21 N PRO A 3 3.698 -22.889 6.559 1.00 0.00 N ATOM 22 CA PRO A 3 4.144 -21.870 7.547 1.00 0.00 C ATOM 23 C PRO A 3 3.872 -20.448 7.065 1.00 0.00 C ATOM 24 O PRO A 3 4.219 -20.087 5.940 1.00 0.00 O ATOM 25 CB PRO A 3 5.654 -22.116 7.696 1.00 0.00 C ATOM 26 CG PRO A 3 6.003 -23.262 6.794 1.00 0.00 C ATOM 27 CD PRO A 3 4.830 -23.471 5.840 1.00 0.00 C ATOM 0 HA PRO A 3 3.605 -21.963 8.490 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.219 -21.225 7.423 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.907 -22.349 8.730 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.916 -23.048 6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.189 -24.165 7.376 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.997 -22.974 4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.670 -24.528 5.627 1.00 0.00 H new ATOM 35 N THR A 4 3.251 -19.646 7.923 1.00 0.00 N ATOM 36 CA THR A 4 2.938 -18.265 7.573 1.00 0.00 C ATOM 37 C THR A 4 4.030 -17.325 8.075 1.00 0.00 C ATOM 38 O THR A 4 4.545 -17.490 9.180 1.00 0.00 O ATOM 39 CB THR A 4 1.594 -17.862 8.186 1.00 0.00 C ATOM 40 OG1 THR A 4 1.697 -17.944 9.591 1.00 0.00 O ATOM 41 CG2 THR A 4 0.501 -18.822 7.714 1.00 0.00 C ATOM 0 H THR A 4 2.956 -19.925 8.859 1.00 0.00 H new ATOM 0 HA THR A 4 2.879 -18.189 6.487 1.00 0.00 H new ATOM 0 HB THR A 4 1.341 -16.847 7.879 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.453 -18.531 8.153 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.427 -18.783 6.627 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.749 -19.837 8.025 1.00 0.00 H new ATOM 48 N THR A 5 4.376 -16.338 7.254 1.00 0.00 N ATOM 49 CA THR A 5 5.408 -15.377 7.625 1.00 0.00 C ATOM 50 C THR A 5 4.783 -14.034 7.993 1.00 0.00 C ATOM 51 O THR A 5 3.817 -13.597 7.367 1.00 0.00 O ATOM 52 CB THR A 5 6.386 -15.186 6.464 1.00 0.00 C ATOM 53 OG1 THR A 5 5.701 -14.571 5.394 1.00 0.00 O ATOM 54 CG2 THR A 5 6.910 -16.544 5.998 1.00 0.00 C ATOM 0 H THR A 5 3.961 -16.184 6.335 1.00 0.00 H new ATOM 0 HA THR A 5 5.944 -15.765 8.491 1.00 0.00 H new ATOM 0 HB THR A 5 7.223 -14.568 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.606 -16.401 5.171 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.423 -17.039 6.823 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.075 -17.162 5.667 1.00 0.00 H new ATOM 61 N THR A 6 5.340 -13.386 9.009 1.00 0.00 N ATOM 62 CA THR A 6 4.829 -12.094 9.452 1.00 0.00 C ATOM 63 C THR A 6 5.759 -10.969 9.007 1.00 0.00 C ATOM 64 O THR A 6 6.920 -11.206 8.676 1.00 0.00 O ATOM 65 CB THR A 6 4.697 -12.078 10.976 1.00 0.00 C ATOM 66 OG1 THR A 6 5.990 -12.108 11.540 1.00 0.00 O ATOM 67 CG2 THR A 6 3.924 -13.312 11.444 1.00 0.00 C ATOM 0 H THR A 6 6.140 -13.731 9.539 1.00 0.00 H new ATOM 0 HA THR A 6 3.848 -11.939 9.002 1.00 0.00 H new ATOM 0 HB THR A 6 4.164 -11.180 11.287 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.834 -13.294 12.530 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.930 -13.310 10.997 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.457 -14.213 11.139 1.00 0.00 H new ATOM 74 N THR A 7 5.239 -9.746 9.004 1.00 0.00 N ATOM 75 CA THR A 7 6.033 -8.591 8.599 1.00 0.00 C ATOM 76 C THR A 7 5.756 -7.403 9.514 1.00 0.00 C ATOM 77 O THR A 7 4.718 -7.344 10.173 1.00 0.00 O ATOM 78 CB THR A 7 5.704 -8.213 7.153 1.00 0.00 C ATOM 79 OG1 THR A 7 4.386 -7.713 7.107 1.00 0.00 O ATOM 80 CG2 THR A 7 5.795 -9.450 6.259 1.00 0.00 C ATOM 0 H THR A 7 4.280 -9.530 9.275 1.00 0.00 H new ATOM 0 HA THR A 7 7.088 -8.854 8.674 1.00 0.00 H new ATOM 0 HB THR A 7 6.411 -7.461 6.802 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.560 -9.174 5.231 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.805 -9.857 6.303 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.085 -10.202 6.604 1.00 0.00 H new ATOM 87 N LYS A 8 6.689 -6.457 9.548 1.00 0.00 N ATOM 88 CA LYS A 8 6.535 -5.275 10.386 1.00 0.00 C ATOM 89 C LYS A 8 7.430 -4.145 9.889 1.00 0.00 C ATOM 90 O LYS A 8 8.614 -4.350 9.619 1.00 0.00 O ATOM 91 CB LYS A 8 6.890 -5.610 11.835 1.00 0.00 C ATOM 92 CG LYS A 8 8.340 -6.094 11.907 1.00 0.00 C ATOM 93 CD LYS A 8 9.230 -4.965 12.428 1.00 0.00 C ATOM 94 CE LYS A 8 9.188 -4.946 13.958 1.00 0.00 C ATOM 95 NZ LYS A 8 10.065 -3.854 14.465 1.00 0.00 N ATOM 0 H LYS A 8 7.554 -6.486 9.008 1.00 0.00 H new ATOM 0 HA LYS A 8 5.496 -4.950 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.757 -4.731 12.466 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.219 -6.380 12.216 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.413 -6.961 12.564 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.678 -6.412 10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.254 -5.107 12.084 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.890 -4.008 12.032 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.165 -4.795 14.303 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.519 -5.906 14.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.037 -3.841 15.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.042 -4.017 14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.730 -2.941 14.098 1.00 0.00 H new ATOM 109 N LYS A 9 6.859 -2.951 9.771 1.00 0.00 N ATOM 110 CA LYS A 9 7.616 -1.795 9.303 1.00 0.00 C ATOM 111 C LYS A 9 8.865 -2.242 8.551 1.00 0.00 C ATOM 112 O LYS A 9 9.981 -2.142 9.064 1.00 0.00 O ATOM 113 CB LYS A 9 8.018 -0.918 10.491 1.00 0.00 C ATOM 114 CG LYS A 9 8.532 0.429 9.980 1.00 0.00 C ATOM 115 CD LYS A 9 9.060 1.253 11.156 1.00 0.00 C ATOM 116 CE LYS A 9 10.577 1.086 11.256 1.00 0.00 C ATOM 117 NZ LYS A 9 11.082 1.829 12.446 1.00 0.00 N ATOM 0 H LYS A 9 5.882 -2.759 9.991 1.00 0.00 H new ATOM 0 HA LYS A 9 6.985 -1.220 8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.163 -0.767 11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.790 -1.415 11.079 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.323 0.274 9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.731 0.968 9.475 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.808 2.305 11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.586 0.929 12.083 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.833 0.030 11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.055 1.460 10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.114 1.715 12.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.850 2.838 12.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.635 1.452 13.306 1.00 0.00 H new ATOM 131 N PRO A 10 8.695 -2.728 7.353 1.00 0.00 N ATOM 132 CA PRO A 10 9.818 -3.202 6.502 1.00 0.00 C ATOM 133 C PRO A 10 10.609 -2.043 5.903 1.00 0.00 C ATOM 134 O PRO A 10 11.224 -2.191 4.845 1.00 0.00 O ATOM 135 CB PRO A 10 9.141 -4.030 5.398 1.00 0.00 C ATOM 136 CG PRO A 10 7.665 -3.996 5.666 1.00 0.00 C ATOM 137 CD PRO A 10 7.407 -2.881 6.676 1.00 0.00 C ATOM 0 HA PRO A 10 10.542 -3.779 7.077 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.364 -3.616 4.414 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.510 -5.055 5.404 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.112 -3.814 4.744 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.324 -4.954 6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.100 -1.958 6.185 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.615 -3.149 7.376 1.00 0.00 H new HETATM 145 N NH2 A 11 10.631 -0.892 6.518 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 0.447 -16.028 10.056 1.00 0.00 O HETATM 150 C1 A2G A 101 1.691 -16.675 10.207 1.00 0.00 C HETATM 151 C2 A2G A 101 1.951 -16.869 11.701 1.00 0.00 C HETATM 152 N2 A2G A 101 3.235 -17.529 11.906 1.00 0.00 N HETATM 153 C3 A2G A 101 0.824 -17.710 12.302 1.00 0.00 C HETATM 154 O3 A2G A 101 0.988 -17.786 13.711 1.00 0.00 O HETATM 155 C4 A2G A 101 -0.525 -17.061 11.981 1.00 0.00 C HETATM 156 O4 A2G A 101 -0.623 -15.815 12.656 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.634 -16.834 10.472 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.941 -16.104 10.153 1.00 0.00 C HETATM 159 O6 A2G A 101 -2.980 -16.615 10.975 1.00 0.00 O HETATM 160 C7 A2G A 101 4.216 -16.932 12.575 1.00 0.00 C HETATM 161 O7 A2G A 101 4.107 -15.805 13.058 1.00 0.00 O HETATM 162 C8 A2G A 101 5.550 -17.671 12.614 1.00 0.00 C HETATM 0 HO4 A2G A 101 -0.143 -15.129 12.147 1.00 0.00 H new HETATM 0 HO3 A2G A 101 0.508 -17.046 14.137 1.00 0.00 H new HETATM 0 HN2 A2G A 101 3.383 -18.465 11.529 1.00 0.00 H new HETATM 0 H8B A2G A 101 5.413 -18.644 13.085 1.00 0.00 H new HETATM 0 H8A A2G A 101 5.919 -17.809 11.598 1.00 0.00 H new HETATM 0 H8 A2G A 101 6.272 -17.089 13.187 1.00 0.00 H new HETATM 0 H6 A2G A 101 -2.196 -16.235 9.102 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.616 -17.794 9.956 1.00 0.00 H new HETATM 0 H4 A2G A 101 -1.332 -17.716 12.309 1.00 0.00 H new HETATM 0 H3 A2G A 101 0.855 -18.714 11.878 1.00 0.00 H new HETATM 0 H2 A2G A 101 1.980 -15.897 12.193 1.00 0.00 H new HETATM 0 H15 A2G A 101 -3.817 -16.147 10.773 1.00 0.00 H new HETATM 0 H14 A2G A 101 -1.823 -15.034 10.321 1.00 0.00 H new HETATM 177 O A2G A 102 7.448 -13.209 4.658 1.00 0.00 O HETATM 178 C1 A2G A 102 6.133 -13.248 5.166 1.00 0.00 C HETATM 179 C2 A2G A 102 5.201 -12.612 4.134 1.00 0.00 C HETATM 180 N2 A2G A 102 3.827 -12.625 4.622 1.00 0.00 N HETATM 181 C3 A2G A 102 5.300 -13.391 2.821 1.00 0.00 C HETATM 182 O3 A2G A 102 4.538 -12.732 1.820 1.00 0.00 O HETATM 183 C4 A2G A 102 6.764 -13.466 2.382 1.00 0.00 C HETATM 184 O4 A2G A 102 7.225 -12.164 2.049 1.00 0.00 O HETATM 185 C5 A2G A 102 7.612 -14.030 3.524 1.00 0.00 C HETATM 186 C6 A2G A 102 9.088 -14.024 3.122 1.00 0.00 C HETATM 187 O6 A2G A 102 9.194 -14.086 1.707 1.00 0.00 O HETATM 188 C7 A2G A 102 3.152 -11.495 4.802 1.00 0.00 C HETATM 189 O7 A2G A 102 3.630 -10.383 4.575 1.00 0.00 O HETATM 190 C8 A2G A 102 1.734 -11.637 5.349 1.00 0.00 C HETATM 0 HO4 A2G A 102 7.661 -11.762 2.829 1.00 0.00 H new HETATM 0 HO3 A2G A 102 5.082 -12.033 1.402 1.00 0.00 H new HETATM 0 HN2 A2G A 102 3.377 -13.517 4.829 1.00 0.00 H new HETATM 0 H8B A2G A 102 1.137 -12.237 4.662 1.00 0.00 H new HETATM 0 H8A A2G A 102 1.767 -12.126 6.323 1.00 0.00 H new HETATM 0 H8 A2G A 102 1.284 -10.650 5.453 1.00 0.00 H new HETATM 0 H6 A2G A 102 9.602 -14.872 3.573 1.00 0.00 H new HETATM 0 H5 A2G A 102 7.298 -15.050 3.743 1.00 0.00 H new HETATM 0 H4 A2G A 102 6.849 -14.116 1.511 1.00 0.00 H new HETATM 0 H3 A2G A 102 4.912 -14.399 2.967 1.00 0.00 H new HETATM 0 H2 A2G A 102 5.498 -11.577 3.966 1.00 0.00 H new HETATM 0 H15 A2G A 102 10.139 -14.080 1.449 1.00 0.00 H new HETATM 0 H14 A2G A 102 9.574 -13.122 3.494 1.00 0.00 H new HETATM 205 O A2G A 103 5.662 -10.625 13.311 1.00 0.00 O HETATM 206 C1 A2G A 103 6.359 -10.874 12.112 1.00 0.00 C HETATM 207 C2 A2G A 103 7.855 -10.922 12.430 1.00 0.00 C HETATM 208 N2 A2G A 103 8.619 -11.171 11.213 1.00 0.00 N HETATM 209 C3 A2G A 103 8.116 -12.029 13.451 1.00 0.00 C HETATM 210 O3 A2G A 103 9.478 -11.997 13.848 1.00 0.00 O HETATM 211 C4 A2G A 103 7.223 -11.816 14.675 1.00 0.00 C HETATM 212 O4 A2G A 103 7.615 -10.626 15.344 1.00 0.00 O HETATM 213 C5 A2G A 103 5.765 -11.692 14.227 1.00 0.00 C HETATM 214 C6 A2G A 103 4.877 -11.389 15.437 1.00 0.00 C HETATM 215 O6 A2G A 103 5.426 -12.005 16.592 1.00 0.00 O HETATM 216 C7 A2G A 103 9.524 -10.300 10.779 1.00 0.00 C HETATM 217 O7 A2G A 103 9.773 -9.246 11.363 1.00 0.00 O HETATM 218 C8 A2G A 103 10.276 -10.687 9.509 1.00 0.00 C HETATM 0 HO4 A2G A 103 7.183 -9.855 14.920 1.00 0.00 H new HETATM 0 HO3 A2G A 103 9.560 -11.518 14.699 1.00 0.00 H new HETATM 0 HN2 A2G A 103 8.456 -12.029 10.686 1.00 0.00 H new HETATM 0 H8B A2G A 103 10.813 -11.621 9.674 1.00 0.00 H new HETATM 0 H8A A2G A 103 9.567 -10.816 8.691 1.00 0.00 H new HETATM 0 H8 A2G A 103 10.986 -9.901 9.253 1.00 0.00 H new HETATM 0 H6 A2G A 103 3.866 -11.757 15.261 1.00 0.00 H new HETATM 0 H5 A2G A 103 5.445 -12.625 13.764 1.00 0.00 H new HETATM 0 H4 A2G A 103 7.324 -12.665 15.352 1.00 0.00 H new HETATM 0 H3 A2G A 103 7.892 -12.996 13.001 1.00 0.00 H new HETATM 0 H2 A2G A 103 8.169 -9.964 12.845 1.00 0.00 H new HETATM 0 H15 A2G A 103 4.859 -11.810 17.367 1.00 0.00 H new HETATM 0 H14 A2G A 103 4.803 -10.312 15.587 1.00 0.00 H new HETATM 233 O A2G A 104 4.647 -5.971 5.574 1.00 0.00 O HETATM 234 C1 A2G A 104 4.344 -6.318 6.907 1.00 0.00 C HETATM 235 C2 A2G A 104 2.927 -5.833 7.218 1.00 0.00 C HETATM 236 N2 A2G A 104 2.573 -6.163 8.594 1.00 0.00 N HETATM 237 C3 A2G A 104 1.947 -6.493 6.248 1.00 0.00 C HETATM 238 O3 A2G A 104 0.649 -5.952 6.444 1.00 0.00 O HETATM 239 C4 A2G A 104 2.396 -6.231 4.810 1.00 0.00 C HETATM 240 O4 A2G A 104 2.286 -4.845 4.525 1.00 0.00 O HETATM 241 C5 A2G A 104 3.852 -6.671 4.642 1.00 0.00 C HETATM 242 C6 A2G A 104 4.335 -6.330 3.232 1.00 0.00 C HETATM 243 O6 A2G A 104 3.216 -6.139 2.380 1.00 0.00 O HETATM 244 C7 A2G A 104 2.255 -5.215 9.468 1.00 0.00 C HETATM 245 O7 A2G A 104 2.238 -4.018 9.183 1.00 0.00 O HETATM 246 C8 A2G A 104 1.924 -5.686 10.881 1.00 0.00 C HETATM 0 HO4 A2G A 104 2.327 -4.706 3.556 1.00 0.00 H new HETATM 0 HO3 A2G A 104 0.460 -5.293 5.744 1.00 0.00 H new HETATM 0 HN2 A2G A 104 2.570 -7.139 8.890 1.00 0.00 H new HETATM 0 H8B A2G A 104 1.071 -6.363 10.848 1.00 0.00 H new HETATM 0 H8A A2G A 104 2.784 -6.207 11.302 1.00 0.00 H new HETATM 0 H8 A2G A 104 1.681 -4.825 11.504 1.00 0.00 H new HETATM 0 H6 A2G A 104 4.965 -7.133 2.848 1.00 0.00 H new HETATM 0 H5 A2G A 104 3.929 -7.746 4.804 1.00 0.00 H new HETATM 0 H4 A2G A 104 1.764 -6.795 4.124 1.00 0.00 H new HETATM 0 H3 A2G A 104 1.925 -7.567 6.431 1.00 0.00 H new HETATM 0 H2 A2G A 104 2.880 -4.750 7.101 1.00 0.00 H new HETATM 0 H15 A2G A 104 3.526 -5.919 1.477 1.00 0.00 H new HETATM 0 H14 A2G A 104 4.946 -5.428 3.254 1.00 0.00 H new