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+ 165:sc= -0.414 (180deg=-1.12) USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.3) USER MOD Single : A 101 A2G O3 : rot 87:sc= 0.0571 USER MOD Single : A 101 A2G O4 : rot -170:sc= 0.474 USER MOD Single : A 101 A2G O6 : rot 180:sc= 0.361 USER MOD Single : A 102 A2G O3 : rot 92:sc= 0.0581 USER MOD Single : A 102 A2G O4 : rot -163:sc= 0.54 USER MOD Single : A 102 A2G O6 : rot 180:sc= 0.384 USER MOD Single : A 103 A2G O3 : rot 94:sc= 0.0618 USER MOD Single : A 103 A2G O4 : rot -168:sc= 0.836 USER MOD Single : A 103 A2G O6 : rot 180:sc= 0.568 USER MOD Single : A 104 A2G O3 : rot 89:sc= 0.0753 USER MOD Single : A 104 A2G O4 : rot -170:sc= 0.39 USER MOD Single : A 104 A2G O6 : rot 180:sc= 0.332 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 -0.502 -22.761 6.649 1.00 0.00 C HETATM 2 O ACE A 1 -0.147 -21.603 6.429 1.00 0.00 O HETATM 3 CH3 ACE A 1 -1.364 -23.520 5.646 1.00 0.00 C HETATM 0 H1 ACE A 1 -0.834 -24.413 5.313 1.00 0.00 H new HETATM 0 H2 ACE A 1 -2.302 -23.810 6.119 1.00 0.00 H new HETATM 0 H3 ACE A 1 -1.572 -22.881 4.788 1.00 0.00 H new ATOM 7 N PRO A 2 -0.165 -23.395 7.739 1.00 0.00 N ATOM 8 CA PRO A 2 0.670 -22.782 8.808 1.00 0.00 C ATOM 9 C PRO A 2 1.868 -22.030 8.236 1.00 0.00 C ATOM 10 O PRO A 2 2.082 -20.857 8.540 1.00 0.00 O ATOM 11 CB PRO A 2 1.131 -23.972 9.664 1.00 0.00 C ATOM 12 CG PRO A 2 0.545 -25.209 9.048 1.00 0.00 C ATOM 13 CD PRO A 2 -0.544 -24.766 8.073 1.00 0.00 C ATOM 0 HA PRO A 2 0.110 -22.042 9.380 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.219 -24.031 9.688 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.795 -23.858 10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.315 -25.780 8.529 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.129 -25.860 9.817 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.573 -25.401 7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.533 -24.809 8.529 1.00 0.00 H new ATOM 21 N PRO A 3 2.645 -22.688 7.418 1.00 0.00 N ATOM 22 CA PRO A 3 3.853 -22.088 6.789 1.00 0.00 C ATOM 23 C PRO A 3 3.583 -20.683 6.256 1.00 0.00 C ATOM 24 O PRO A 3 3.160 -20.515 5.112 1.00 0.00 O ATOM 25 CB PRO A 3 4.205 -23.049 5.643 1.00 0.00 C ATOM 26 CG PRO A 3 3.185 -24.149 5.662 1.00 0.00 C ATOM 27 CD PRO A 3 2.456 -24.076 7.002 1.00 0.00 C ATOM 0 HA PRO A 3 4.665 -21.972 7.507 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.192 -22.528 4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.209 -23.452 5.773 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.482 -24.035 4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.666 -25.120 5.539 1.00 0.00 H new ATOM 0 HD2 PRO A 3 1.400 -24.324 6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.877 -24.773 7.727 1.00 0.00 H new ATOM 35 N THR A 4 3.829 -19.681 7.093 1.00 0.00 N ATOM 36 CA THR A 4 3.611 -18.295 6.693 1.00 0.00 C ATOM 37 C THR A 4 4.655 -17.383 7.331 1.00 0.00 C ATOM 38 O THR A 4 5.123 -17.640 8.439 1.00 0.00 O ATOM 39 CB THR A 4 2.210 -17.845 7.114 1.00 0.00 C ATOM 40 OG1 THR A 4 2.068 -18.054 8.502 1.00 0.00 O ATOM 41 CG2 THR A 4 1.155 -18.672 6.379 1.00 0.00 C ATOM 0 H THR A 4 4.176 -19.800 8.045 1.00 0.00 H new ATOM 0 HA THR A 4 3.703 -18.230 5.609 1.00 0.00 H new ATOM 0 HB THR A 4 2.076 -16.791 6.870 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.160 -18.346 6.683 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.269 -18.534 5.304 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.283 -19.726 6.625 1.00 0.00 H new ATOM 48 N THR A 5 5.015 -16.318 6.621 1.00 0.00 N ATOM 49 CA THR A 5 6.005 -15.375 7.128 1.00 0.00 C ATOM 50 C THR A 5 5.330 -14.089 7.595 1.00 0.00 C ATOM 51 O THR A 5 4.382 -13.613 6.969 1.00 0.00 O ATOM 52 CB THR A 5 7.025 -15.052 6.035 1.00 0.00 C ATOM 53 OG1 THR A 5 6.349 -14.461 4.947 1.00 0.00 O ATOM 54 CG2 THR A 5 7.700 -16.339 5.557 1.00 0.00 C ATOM 0 H THR A 5 4.640 -16.088 5.701 1.00 0.00 H new ATOM 0 HA THR A 5 6.515 -15.832 7.976 1.00 0.00 H new ATOM 0 HB THR A 5 7.780 -14.373 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 5 8.425 -16.102 4.779 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.209 -16.815 6.395 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.947 -17.018 5.157 1.00 0.00 H new ATOM 61 N THR A 6 5.826 -13.532 8.694 1.00 0.00 N ATOM 62 CA THR A 6 5.262 -12.300 9.234 1.00 0.00 C ATOM 63 C THR A 6 6.170 -11.114 8.922 1.00 0.00 C ATOM 64 O THR A 6 7.395 -11.227 8.972 1.00 0.00 O ATOM 65 CB THR A 6 5.087 -12.426 10.750 1.00 0.00 C ATOM 66 OG1 THR A 6 6.363 -12.463 11.350 1.00 0.00 O ATOM 67 CG2 THR A 6 4.348 -13.723 11.080 1.00 0.00 C ATOM 0 H THR A 6 6.611 -13.910 9.225 1.00 0.00 H new ATOM 0 HA THR A 6 4.291 -12.132 8.769 1.00 0.00 H new ATOM 0 HB THR A 6 4.514 -11.578 11.123 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.226 -13.808 12.160 1.00 0.00 H new ATOM 0 HG22 THR A 6 3.368 -13.714 10.604 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.923 -14.573 10.712 1.00 0.00 H new ATOM 74 N THR A 7 5.562 -9.977 8.602 1.00 0.00 N ATOM 75 CA THR A 7 6.325 -8.776 8.284 1.00 0.00 C ATOM 76 C THR A 7 6.359 -7.830 9.480 1.00 0.00 C ATOM 77 O THR A 7 5.662 -8.043 10.472 1.00 0.00 O ATOM 78 CB THR A 7 5.701 -8.062 7.083 1.00 0.00 C ATOM 79 OG1 THR A 7 4.427 -7.584 7.456 1.00 0.00 O ATOM 80 CG2 THR A 7 5.539 -9.045 5.922 1.00 0.00 C ATOM 0 H THR A 7 4.550 -9.862 8.556 1.00 0.00 H new ATOM 0 HA THR A 7 7.345 -9.071 8.040 1.00 0.00 H new ATOM 0 HB THR A 7 6.344 -7.238 6.773 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.094 -8.531 5.070 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.515 -9.438 5.639 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.892 -9.867 6.229 1.00 0.00 H new ATOM 87 N LYS A 8 7.172 -6.784 9.378 1.00 0.00 N ATOM 88 CA LYS A 8 7.288 -5.811 10.457 1.00 0.00 C ATOM 89 C LYS A 8 7.848 -4.493 9.934 1.00 0.00 C ATOM 90 O LYS A 8 9.002 -4.422 9.510 1.00 0.00 O ATOM 91 CB LYS A 8 8.203 -6.357 11.556 1.00 0.00 C ATOM 92 CG LYS A 8 8.583 -5.225 12.514 1.00 0.00 C ATOM 93 CD LYS A 8 8.858 -5.802 13.903 1.00 0.00 C ATOM 94 CE LYS A 8 9.570 -4.753 14.760 1.00 0.00 C ATOM 95 NZ LYS A 8 9.202 -3.389 14.284 1.00 0.00 N ATOM 0 H LYS A 8 7.756 -6.589 8.565 1.00 0.00 H new ATOM 0 HA LYS A 8 6.294 -5.632 10.867 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.698 -7.155 12.101 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.100 -6.791 11.115 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.465 -4.703 12.144 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.777 -4.493 12.566 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.922 -6.100 14.376 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.473 -6.698 13.821 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.290 -4.872 15.807 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.650 -4.891 14.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.470 -2.687 15.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.703 -3.184 13.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.176 -3.343 14.121 1.00 0.00 H new ATOM 109 N LYS A 9 7.024 -3.451 9.965 1.00 0.00 N ATOM 110 CA LYS A 9 7.448 -2.139 9.489 1.00 0.00 C ATOM 111 C LYS A 9 8.654 -2.269 8.565 1.00 0.00 C ATOM 112 O LYS A 9 9.779 -1.947 8.944 1.00 0.00 O ATOM 113 CB LYS A 9 7.807 -1.243 10.675 1.00 0.00 C ATOM 114 CG LYS A 9 7.828 0.218 10.224 1.00 0.00 C ATOM 115 CD LYS A 9 6.447 0.842 10.441 1.00 0.00 C ATOM 116 CE LYS A 9 6.323 2.114 9.602 1.00 0.00 C ATOM 117 NZ LYS A 9 7.436 3.045 9.944 1.00 0.00 N ATOM 0 H LYS A 9 6.066 -3.488 10.312 1.00 0.00 H new ATOM 0 HA LYS A 9 6.624 -1.692 8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.082 -1.376 11.478 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.781 -1.525 11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.581 0.772 10.785 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.105 0.280 9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.668 0.133 10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.303 1.074 11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.354 1.867 8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.362 2.594 9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.190 4.008 9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.590 3.039 10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.305 2.739 9.462 1.00 0.00 H new ATOM 131 N PRO A 10 8.435 -2.734 7.365 1.00 0.00 N ATOM 132 CA PRO A 10 9.511 -2.915 6.355 1.00 0.00 C ATOM 133 C PRO A 10 9.950 -1.588 5.744 1.00 0.00 C ATOM 134 O PRO A 10 10.548 -1.565 4.668 1.00 0.00 O ATOM 135 CB PRO A 10 8.887 -3.827 5.287 1.00 0.00 C ATOM 136 CG PRO A 10 7.487 -4.131 5.733 1.00 0.00 C ATOM 137 CD PRO A 10 7.132 -3.140 6.839 1.00 0.00 C ATOM 0 HA PRO A 10 10.411 -3.340 6.800 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.884 -3.335 4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.465 -4.745 5.178 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.791 -4.040 4.899 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.415 -5.155 6.099 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.573 -2.289 6.451 1.00 0.00 H new ATOM 0 HD3 PRO A 10 6.515 -3.602 7.609 1.00 0.00 H new HETATM 145 N NH2 A 11 9.687 -0.472 6.369 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 0.646 -16.266 8.978 1.00 0.00 O HETATM 150 C1 A2G A 101 1.908 -16.849 9.217 1.00 0.00 C HETATM 151 C2 A2G A 101 2.017 -17.161 10.711 1.00 0.00 C HETATM 152 N2 A2G A 101 3.312 -17.761 11.005 1.00 0.00 N HETATM 153 C3 A2G A 101 0.891 -18.117 11.107 1.00 0.00 C HETATM 154 O3 A2G A 101 0.905 -18.309 12.514 1.00 0.00 O HETATM 155 C4 A2G A 101 -0.456 -17.522 10.688 1.00 0.00 C HETATM 156 O4 A2G A 101 -0.712 -16.350 11.447 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.415 -17.167 9.200 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.727 -16.491 8.796 1.00 0.00 C HETATM 159 O6 A2G A 101 -2.726 -16.776 9.764 1.00 0.00 O HETATM 160 C7 A2G A 101 4.163 -17.181 11.845 1.00 0.00 C HETATM 161 O7 A2G A 101 3.920 -16.119 12.419 1.00 0.00 O HETATM 162 C8 A2G A 101 5.466 -17.929 12.106 1.00 0.00 C HETATM 0 HO4 A2G A 101 -1.634 -16.056 11.294 1.00 0.00 H new HETATM 0 HO3 A2G A 101 0.370 -17.610 12.945 1.00 0.00 H new HETATM 0 HN2 A2G A 101 3.570 -18.641 10.558 1.00 0.00 H new HETATM 0 H8B A2G A 101 5.245 -18.908 12.531 1.00 0.00 H new HETATM 0 H8A A2G A 101 6.008 -18.054 11.168 1.00 0.00 H new HETATM 0 H8 A2G A 101 6.078 -17.360 12.805 1.00 0.00 H new HETATM 0 H6 A2G A 101 -2.044 -16.846 7.815 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.275 -18.074 8.612 1.00 0.00 H new HETATM 0 H4 A2G A 101 -1.247 -18.250 10.867 1.00 0.00 H new HETATM 0 H3 A2G A 101 1.037 -19.075 10.608 1.00 0.00 H new HETATM 0 H2 A2G A 101 1.927 -16.237 11.283 1.00 0.00 H new HETATM 0 H15 A2G A 101 -3.565 -16.341 9.506 1.00 0.00 H new HETATM 0 H14 A2G A 101 -1.583 -15.414 8.714 1.00 0.00 H new HETATM 177 O A2G A 102 8.053 -12.963 4.399 1.00 0.00 O HETATM 178 C1 A2G A 102 6.699 -13.107 4.763 1.00 0.00 C HETATM 179 C2 A2G A 102 5.838 -12.539 3.634 1.00 0.00 C HETATM 180 N2 A2G A 102 4.425 -12.654 3.973 1.00 0.00 N HETATM 181 C3 A2G A 102 6.133 -13.305 2.343 1.00 0.00 C HETATM 182 O3 A2G A 102 5.443 -12.695 1.263 1.00 0.00 O HETATM 183 C4 A2G A 102 7.639 -13.279 2.063 1.00 0.00 C HETATM 184 O4 A2G A 102 8.040 -11.952 1.756 1.00 0.00 O HETATM 185 C5 A2G A 102 8.404 -13.769 3.297 1.00 0.00 C HETATM 186 C6 A2G A 102 9.910 -13.638 3.055 1.00 0.00 C HETATM 187 O6 A2G A 102 10.156 -13.510 1.662 1.00 0.00 O HETATM 188 C7 A2G A 102 3.653 -11.577 4.076 1.00 0.00 C HETATM 189 O7 A2G A 102 4.071 -10.434 3.895 1.00 0.00 O HETATM 190 C8 A2G A 102 2.204 -11.824 4.482 1.00 0.00 C HETATM 0 HO4 A2G A 102 8.921 -11.967 1.327 1.00 0.00 H new HETATM 0 HO3 A2G A 102 6.023 -12.028 0.839 1.00 0.00 H new HETATM 0 HN2 A2G A 102 4.022 -13.577 4.134 1.00 0.00 H new HETATM 0 H8B A2G A 102 1.724 -12.468 3.745 1.00 0.00 H new HETATM 0 H8A A2G A 102 2.177 -12.307 5.459 1.00 0.00 H new HETATM 0 H8 A2G A 102 1.673 -10.873 4.533 1.00 0.00 H new HETATM 0 H6 A2G A 102 10.430 -14.512 3.448 1.00 0.00 H new HETATM 0 H5 A2G A 102 8.153 -14.812 3.491 1.00 0.00 H new HETATM 0 H4 A2G A 102 7.859 -13.933 1.219 1.00 0.00 H new HETATM 0 H3 A2G A 102 5.802 -14.338 2.452 1.00 0.00 H new HETATM 0 H2 A2G A 102 6.075 -11.484 3.493 1.00 0.00 H new HETATM 0 H15 A2G A 102 11.120 -13.424 1.507 1.00 0.00 H new HETATM 0 H14 A2G A 102 10.300 -12.769 3.585 1.00 0.00 H new HETATM 205 O A2G A 103 5.896 -11.147 13.220 1.00 0.00 O HETATM 206 C1 A2G A 103 6.668 -11.276 12.047 1.00 0.00 C HETATM 207 C2 A2G A 103 8.142 -11.320 12.449 1.00 0.00 C HETATM 208 N2 A2G A 103 8.982 -11.439 11.262 1.00 0.00 N HETATM 209 C3 A2G A 103 8.374 -12.513 13.378 1.00 0.00 C HETATM 210 O3 A2G A 103 9.708 -12.480 13.864 1.00 0.00 O HETATM 211 C4 A2G A 103 7.401 -12.440 14.559 1.00 0.00 C HETATM 212 O4 A2G A 103 7.727 -11.322 15.372 1.00 0.00 O HETATM 213 C5 A2G A 103 5.968 -12.292 14.040 1.00 0.00 C HETATM 214 C6 A2G A 103 5.011 -12.108 15.220 1.00 0.00 C HETATM 215 O6 A2G A 103 5.681 -12.432 16.429 1.00 0.00 O HETATM 216 C7 A2G A 103 9.878 -10.506 10.960 1.00 0.00 C HETATM 217 O7 A2G A 103 10.058 -9.500 11.645 1.00 0.00 O HETATM 218 C8 A2G A 103 10.684 -10.735 9.684 1.00 0.00 C HETATM 0 HO4 A2G A 103 7.236 -11.378 16.218 1.00 0.00 H new HETATM 0 HO3 A2G A 103 9.731 -12.015 14.726 1.00 0.00 H new HETATM 0 HN2 A2G A 103 8.880 -12.252 10.654 1.00 0.00 H new HETATM 0 H8B A2G A 103 11.239 -11.669 9.767 1.00 0.00 H new HETATM 0 H8A A2G A 103 10.007 -10.789 8.831 1.00 0.00 H new HETATM 0 H8 A2G A 103 11.382 -9.910 9.541 1.00 0.00 H new HETATM 0 H6 A2G A 103 4.136 -12.746 15.095 1.00 0.00 H new HETATM 0 H5 A2G A 103 5.691 -13.183 13.476 1.00 0.00 H new HETATM 0 H4 A2G A 103 7.479 -13.355 15.147 1.00 0.00 H new HETATM 0 H3 A2G A 103 8.208 -13.439 12.827 1.00 0.00 H new HETATM 0 H2 A2G A 103 8.404 -10.398 12.968 1.00 0.00 H new HETATM 0 H15 A2G A 103 5.069 -12.312 17.185 1.00 0.00 H new HETATM 0 H14 A2G A 103 4.653 -11.079 15.255 1.00 0.00 H new HETATM 233 O A2G A 104 4.524 -5.539 6.334 1.00 0.00 O HETATM 234 C1 A2G A 104 4.392 -6.180 7.583 1.00 0.00 C HETATM 235 C2 A2G A 104 3.041 -5.786 8.180 1.00 0.00 C HETATM 236 N2 A2G A 104 2.866 -6.417 9.483 1.00 0.00 N HETATM 237 C3 A2G A 104 1.924 -6.224 7.230 1.00 0.00 C HETATM 238 O3 A2G A 104 0.680 -5.740 7.711 1.00 0.00 O HETATM 239 C4 A2G A 104 2.187 -5.654 5.833 1.00 0.00 C HETATM 240 O4 A2G A 104 2.054 -4.240 5.867 1.00 0.00 O HETATM 241 C5 A2G A 104 3.604 -6.021 5.381 1.00 0.00 C HETATM 242 C6 A2G A 104 3.902 -5.357 4.035 1.00 0.00 C HETATM 243 O6 A2G A 104 2.681 -5.035 3.385 1.00 0.00 O HETATM 244 C7 A2G A 104 2.704 -5.688 10.584 1.00 0.00 C HETATM 245 O7 A2G A 104 2.692 -4.457 10.576 1.00 0.00 O HETATM 246 C8 A2G A 104 2.551 -6.463 11.888 1.00 0.00 C HETATM 0 HO4 A2G A 104 2.064 -3.888 4.952 1.00 0.00 H new HETATM 0 HO3 A2G A 104 0.515 -4.844 7.349 1.00 0.00 H new HETATM 0 HN2 A2G A 104 2.868 -7.435 9.551 1.00 0.00 H new HETATM 0 H8B A2G A 104 1.677 -7.111 11.826 1.00 0.00 H new HETATM 0 H8A A2G A 104 3.441 -7.069 12.057 1.00 0.00 H new HETATM 0 H8 A2G A 104 2.426 -5.763 12.714 1.00 0.00 H new HETATM 0 H6 A2G A 104 4.493 -6.026 3.410 1.00 0.00 H new HETATM 0 H5 A2G A 104 3.687 -7.103 5.283 1.00 0.00 H new HETATM 0 H4 A2G A 104 1.466 -6.074 5.132 1.00 0.00 H new HETATM 0 H3 A2G A 104 1.897 -7.312 7.178 1.00 0.00 H new HETATM 0 H2 A2G A 104 3.003 -4.704 8.310 1.00 0.00 H new HETATM 0 H15 A2G A 104 2.872 -4.608 2.524 1.00 0.00 H new HETATM 0 H14 A2G A 104 4.495 -4.455 4.186 1.00 0.00 H new