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+ -150:sc=-0.00434 (180deg=-0.405) USER MOD Single : A 101 A2G O3 : rot 95:sc= 0.0288 USER MOD Single : A 101 A2G O4 : rot 90:sc= 0.0548 USER MOD Single : A 101 A2G O6 : rot 180:sc= -0.0434 USER MOD Single : A 102 A2G O3 : rot 84:sc= 0.0547 USER MOD Single : A 102 A2G O4 : rot -170:sc= 0.62 USER MOD Single : A 102 A2G O6 : rot 180:sc= 0.404 USER MOD Single : A 103 A2G O3 : rot 86:sc= 0.0573 USER MOD Single : A 103 A2G O4 : rot 87:sc= 0.0659 USER MOD Single : A 103 A2G O6 : rot 180:sc= -0.048 USER MOD Single : A 104 A2G O3 : rot 99:sc= 0.102 USER MOD Single : A 104 A2G O4 : rot 90:sc= 0.1 USER MOD Single : A 104 A2G O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 1.386 -23.986 4.634 1.00 0.00 C HETATM 2 O ACE A 1 1.242 -22.763 4.649 1.00 0.00 O HETATM 3 CH3 ACE A 1 2.024 -24.685 3.439 1.00 0.00 C HETATM 0 H1 ACE A 1 2.919 -25.216 3.763 1.00 0.00 H new HETATM 0 H2 ACE A 1 1.316 -25.395 3.012 1.00 0.00 H new HETATM 0 H3 ACE A 1 2.294 -23.945 2.686 1.00 0.00 H new ATOM 7 N PRO A 2 1.007 -24.742 5.628 1.00 0.00 N ATOM 8 CA PRO A 2 0.369 -24.201 6.860 1.00 0.00 C ATOM 9 C PRO A 2 1.107 -22.976 7.396 1.00 0.00 C ATOM 10 O PRO A 2 0.506 -21.924 7.615 1.00 0.00 O ATOM 11 CB PRO A 2 0.434 -25.357 7.869 1.00 0.00 C ATOM 12 CG PRO A 2 1.108 -26.507 7.180 1.00 0.00 C ATOM 13 CD PRO A 2 1.143 -26.196 5.684 1.00 0.00 C ATOM 0 HA PRO A 2 -0.650 -23.866 6.667 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.991 -25.061 8.758 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -0.567 -25.638 8.198 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.118 -26.645 7.566 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.566 -27.435 7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.075 -26.529 5.228 1.00 0.00 H new ATOM 0 HD3 PRO A 2 0.332 -26.695 5.152 1.00 0.00 H new ATOM 21 N PRO A 3 2.388 -23.101 7.611 1.00 0.00 N ATOM 22 CA PRO A 3 3.233 -21.999 8.145 1.00 0.00 C ATOM 23 C PRO A 3 2.904 -20.657 7.498 1.00 0.00 C ATOM 24 O PRO A 3 2.373 -20.603 6.388 1.00 0.00 O ATOM 25 CB PRO A 3 4.672 -22.431 7.820 1.00 0.00 C ATOM 26 CG PRO A 3 4.581 -23.755 7.120 1.00 0.00 C ATOM 27 CD PRO A 3 3.179 -24.305 7.367 1.00 0.00 C ATOM 0 HA PRO A 3 3.069 -21.847 9.212 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.163 -21.692 7.187 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.265 -22.515 8.731 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.765 -23.638 6.052 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.336 -24.443 7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.808 -24.864 6.508 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.156 -24.982 8.221 1.00 0.00 H new ATOM 35 N THR A 4 3.226 -19.576 8.200 1.00 0.00 N ATOM 36 CA THR A 4 2.965 -18.234 7.690 1.00 0.00 C ATOM 37 C THR A 4 4.080 -17.279 8.109 1.00 0.00 C ATOM 38 O THR A 4 4.563 -17.333 9.239 1.00 0.00 O ATOM 39 CB THR A 4 1.627 -17.721 8.231 1.00 0.00 C ATOM 40 OG1 THR A 4 1.693 -17.671 9.639 1.00 0.00 O ATOM 41 CG2 THR A 4 0.503 -18.675 7.826 1.00 0.00 C ATOM 0 H THR A 4 3.666 -19.602 9.120 1.00 0.00 H new ATOM 0 HA THR A 4 2.925 -18.279 6.602 1.00 0.00 H new ATOM 0 HB THR A 4 1.428 -16.730 7.823 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.446 -18.305 8.214 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.452 -18.736 6.739 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.701 -19.665 8.236 1.00 0.00 H new ATOM 48 N THR A 5 4.489 -16.409 7.190 1.00 0.00 N ATOM 49 CA THR A 5 5.552 -15.451 7.479 1.00 0.00 C ATOM 50 C THR A 5 4.982 -14.049 7.677 1.00 0.00 C ATOM 51 O THR A 5 4.061 -13.636 6.975 1.00 0.00 O ATOM 52 CB THR A 5 6.567 -15.433 6.333 1.00 0.00 C ATOM 53 OG1 THR A 5 5.908 -15.030 5.151 1.00 0.00 O ATOM 54 CG2 THR A 5 7.137 -16.836 6.122 1.00 0.00 C ATOM 0 H THR A 5 4.105 -16.347 6.247 1.00 0.00 H new ATOM 0 HA THR A 5 6.047 -15.760 8.400 1.00 0.00 H new ATOM 0 HB THR A 5 7.376 -14.744 6.575 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.859 -16.817 5.305 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.631 -17.169 7.035 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.328 -17.524 5.875 1.00 0.00 H new ATOM 61 N THR A 6 5.545 -13.321 8.638 1.00 0.00 N ATOM 62 CA THR A 6 5.093 -11.964 8.925 1.00 0.00 C ATOM 63 C THR A 6 6.089 -10.946 8.370 1.00 0.00 C ATOM 64 O THR A 6 7.291 -11.215 8.298 1.00 0.00 O ATOM 65 CB THR A 6 4.945 -11.772 10.441 1.00 0.00 C ATOM 66 OG1 THR A 6 6.209 -11.959 11.040 1.00 0.00 O ATOM 67 CG2 THR A 6 3.974 -12.811 11.014 1.00 0.00 C ATOM 0 H THR A 6 6.311 -13.646 9.228 1.00 0.00 H new ATOM 0 HA THR A 6 4.126 -11.808 8.447 1.00 0.00 H new ATOM 0 HB THR A 6 4.561 -10.772 10.643 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.878 -12.664 12.090 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.998 -12.695 10.543 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.355 -13.813 10.817 1.00 0.00 H new ATOM 74 N THR A 7 5.584 -9.777 7.978 1.00 0.00 N ATOM 75 CA THR A 7 6.442 -8.731 7.432 1.00 0.00 C ATOM 76 C THR A 7 6.730 -7.676 8.498 1.00 0.00 C ATOM 77 O THR A 7 5.820 -7.196 9.174 1.00 0.00 O ATOM 78 CB THR A 7 5.772 -8.074 6.218 1.00 0.00 C ATOM 79 OG1 THR A 7 4.554 -7.483 6.631 1.00 0.00 O ATOM 80 CG2 THR A 7 5.461 -9.137 5.163 1.00 0.00 C ATOM 0 H THR A 7 4.595 -9.533 8.028 1.00 0.00 H new ATOM 0 HA THR A 7 7.382 -9.183 7.116 1.00 0.00 H new ATOM 0 HB THR A 7 6.440 -7.322 5.799 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.985 -8.667 4.302 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.387 -9.619 4.848 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.789 -9.884 5.586 1.00 0.00 H new ATOM 87 N LYS A 8 8.004 -7.329 8.642 1.00 0.00 N ATOM 88 CA LYS A 8 8.419 -6.335 9.627 1.00 0.00 C ATOM 89 C LYS A 8 8.189 -4.914 9.117 1.00 0.00 C ATOM 90 O LYS A 8 8.423 -4.622 7.944 1.00 0.00 O ATOM 91 CB LYS A 8 9.899 -6.523 9.963 1.00 0.00 C ATOM 92 CG LYS A 8 10.336 -5.445 10.957 1.00 0.00 C ATOM 93 CD LYS A 8 11.411 -6.012 11.888 1.00 0.00 C ATOM 94 CE LYS A 8 10.743 -6.766 13.038 1.00 0.00 C ATOM 95 NZ LYS A 8 11.612 -7.900 13.460 1.00 0.00 N ATOM 0 H LYS A 8 8.767 -7.720 8.090 1.00 0.00 H new ATOM 0 HA LYS A 8 7.814 -6.479 10.522 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.064 -7.513 10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.500 -6.462 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.724 -4.578 10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.480 -5.104 11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.070 -6.681 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.031 -5.205 12.279 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.572 -6.093 13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.768 -7.138 12.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.158 -8.413 14.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.753 -8.547 12.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.533 -7.533 13.775 1.00 0.00 H new ATOM 109 N LYS A 9 7.743 -4.030 10.006 1.00 0.00 N ATOM 110 CA LYS A 9 7.497 -2.639 9.630 1.00 0.00 C ATOM 111 C LYS A 9 8.785 -1.943 9.194 1.00 0.00 C ATOM 112 O LYS A 9 9.880 -2.343 9.588 1.00 0.00 O ATOM 113 CB LYS A 9 6.884 -1.883 10.809 1.00 0.00 C ATOM 114 CG LYS A 9 5.359 -1.993 10.748 1.00 0.00 C ATOM 115 CD LYS A 9 4.746 -1.292 11.962 1.00 0.00 C ATOM 116 CE LYS A 9 3.896 -0.111 11.491 1.00 0.00 C ATOM 117 NZ LYS A 9 4.755 0.859 10.755 1.00 0.00 N ATOM 0 H LYS A 9 7.546 -4.248 10.983 1.00 0.00 H new ATOM 0 HA LYS A 9 6.805 -2.637 8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.252 -2.294 11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.185 -0.836 10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.988 -1.541 9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.060 -3.041 10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.133 -1.992 12.529 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.533 -0.944 12.631 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.092 -0.463 10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.428 0.377 12.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.375 1.820 10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.724 0.820 11.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.767 0.615 9.744 1.00 0.00 H new ATOM 131 N PRO A 10 8.673 -0.924 8.388 1.00 0.00 N ATOM 132 CA PRO A 10 9.845 -0.161 7.878 1.00 0.00 C ATOM 133 C PRO A 10 10.881 0.093 8.969 1.00 0.00 C ATOM 134 O PRO A 10 12.079 0.146 8.689 1.00 0.00 O ATOM 135 CB PRO A 10 9.245 1.161 7.372 1.00 0.00 C ATOM 136 CG PRO A 10 7.768 1.089 7.623 1.00 0.00 C ATOM 137 CD PRO A 10 7.422 -0.376 7.874 1.00 0.00 C ATOM 0 HA PRO A 10 10.377 -0.709 7.101 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.685 2.011 7.894 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.451 1.298 6.310 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.494 1.701 8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.213 1.474 6.767 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.609 -0.482 8.593 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.106 -0.879 6.960 1.00 0.00 H new HETATM 145 N NH2 A 11 10.487 0.284 10.198 1.00 0.00 N TER 148 NH2 A 11 HETATM 149 O A2G A 101 0.211 -15.875 9.948 1.00 0.00 O HETATM 150 C1 A2G A 101 1.521 -16.367 10.155 1.00 0.00 C HETATM 151 C2 A2G A 101 1.796 -16.404 11.664 1.00 0.00 C HETATM 152 N2 A2G A 101 3.128 -16.941 11.918 1.00 0.00 N HETATM 153 C3 A2G A 101 0.743 -17.271 12.354 1.00 0.00 C HETATM 154 O3 A2G A 101 0.929 -17.217 13.761 1.00 0.00 O HETATM 155 C4 A2G A 101 -0.647 -16.748 12.003 1.00 0.00 C HETATM 156 O4 A2G A 101 -0.810 -15.441 12.532 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.796 -16.709 10.485 1.00 0.00 C HETATM 158 C6 A2G A 101 -2.161 -16.125 10.115 1.00 0.00 C HETATM 159 O6 A2G A 101 -3.107 -16.456 11.120 1.00 0.00 O HETATM 160 C7 A2G A 101 4.032 -16.241 12.597 1.00 0.00 C HETATM 161 O7 A2G A 101 3.809 -15.118 13.046 1.00 0.00 O HETATM 162 C8 A2G A 101 5.343 -16.958 12.904 1.00 0.00 C HETATM 0 HO4 A2G A 101 -0.517 -14.781 11.869 1.00 0.00 H new HETATM 0 HO3 A2G A 101 0.339 -16.534 14.143 1.00 0.00 H new HETATM 0 HN2 A2G A 101 3.370 -17.868 11.569 1.00 0.00 H new HETATM 0 H8B A2G A 101 5.140 -17.848 13.500 1.00 0.00 H new HETATM 0 H8A A2G A 101 5.826 -17.249 11.971 1.00 0.00 H new HETATM 0 H8 A2G A 101 6.001 -16.290 13.460 1.00 0.00 H new HETATM 0 H6 A2G A 101 -2.487 -16.517 9.151 1.00 0.00 H new HETATM 0 H5 A2G A 101 -0.708 -17.720 10.086 1.00 0.00 H new HETATM 0 H4 A2G A 101 -1.406 -17.404 12.429 1.00 0.00 H new HETATM 0 H3 A2G A 101 0.842 -18.303 12.017 1.00 0.00 H new HETATM 0 H2 A2G A 101 1.746 -15.391 12.062 1.00 0.00 H new HETATM 0 H15 A2G A 101 -3.981 -16.080 10.883 1.00 0.00 H new HETATM 0 H14 A2G A 101 -2.089 -15.042 10.011 1.00 0.00 H new HETATM 177 O A2G A 102 7.632 -13.706 4.301 1.00 0.00 O HETATM 178 C1 A2G A 102 6.290 -13.739 4.729 1.00 0.00 C HETATM 179 C2 A2G A 102 5.413 -13.348 3.541 1.00 0.00 C HETATM 180 N2 A2G A 102 4.012 -13.321 3.939 1.00 0.00 N HETATM 181 C3 A2G A 102 5.628 -14.361 2.416 1.00 0.00 C HETATM 182 O3 A2G A 102 4.901 -13.959 1.266 1.00 0.00 O HETATM 183 C4 A2G A 102 7.120 -14.434 2.079 1.00 0.00 C HETATM 184 O4 A2G A 102 7.538 -13.200 1.513 1.00 0.00 O HETATM 185 C5 A2G A 102 7.922 -14.709 3.353 1.00 0.00 C HETATM 186 C6 A2G A 102 9.419 -14.666 3.039 1.00 0.00 C HETATM 187 O6 A2G A 102 9.613 -14.803 1.638 1.00 0.00 O HETATM 188 C7 A2G A 102 3.332 -12.180 3.974 1.00 0.00 C HETATM 189 O7 A2G A 102 3.833 -11.096 3.678 1.00 0.00 O HETATM 190 C8 A2G A 102 1.942 -12.249 4.599 1.00 0.00 C HETATM 0 HO4 A2G A 102 8.442 -13.297 1.148 1.00 0.00 H new HETATM 0 HO3 A2G A 102 5.431 -13.314 0.753 1.00 0.00 H new HETATM 0 HN2 A2G A 102 3.546 -14.191 4.195 1.00 0.00 H new HETATM 0 H8B A2G A 102 1.325 -12.951 4.038 1.00 0.00 H new HETATM 0 H8A A2G A 102 2.024 -12.584 5.633 1.00 0.00 H new HETATM 0 H8 A2G A 102 1.482 -11.261 4.573 1.00 0.00 H new HETATM 0 H6 A2G A 102 9.936 -15.466 3.569 1.00 0.00 H new HETATM 0 H5 A2G A 102 7.656 -15.691 3.744 1.00 0.00 H new HETATM 0 H4 A2G A 102 7.290 -15.239 1.364 1.00 0.00 H new HETATM 0 H3 A2G A 102 5.277 -15.342 2.738 1.00 0.00 H new HETATM 0 H2 A2G A 102 5.686 -12.352 3.192 1.00 0.00 H new HETATM 0 H15 A2G A 102 10.572 -14.774 1.436 1.00 0.00 H new HETATM 0 H14 A2G A 102 9.847 -13.726 3.386 1.00 0.00 H new HETATM 205 O A2G A 103 6.056 -10.239 12.604 1.00 0.00 O HETATM 206 C1 A2G A 103 6.773 -10.755 11.508 1.00 0.00 C HETATM 207 C2 A2G A 103 8.198 -11.045 11.971 1.00 0.00 C HETATM 208 N2 A2G A 103 9.000 -11.542 10.860 1.00 0.00 N HETATM 209 C3 A2G A 103 8.149 -12.082 13.095 1.00 0.00 C HETATM 210 O3 A2G A 103 9.455 -12.275 13.619 1.00 0.00 O HETATM 211 C4 A2G A 103 7.220 -11.587 14.209 1.00 0.00 C HETATM 212 O4 A2G A 103 7.799 -10.453 14.838 1.00 0.00 O HETATM 213 C5 A2G A 103 5.860 -11.203 13.617 1.00 0.00 C HETATM 214 C6 A2G A 103 4.978 -10.594 14.709 1.00 0.00 C HETATM 215 O6 A2G A 103 5.288 -11.193 15.957 1.00 0.00 O HETATM 216 C7 A2G A 103 10.047 -10.857 10.410 1.00 0.00 C HETATM 217 O7 A2G A 103 10.398 -9.781 10.893 1.00 0.00 O HETATM 218 C8 A2G A 103 10.675 -11.367 9.117 1.00 0.00 C HETATM 0 HO4 A2G A 103 7.540 -9.642 14.353 1.00 0.00 H new HETATM 0 HO3 A2G A 103 9.633 -11.602 14.309 1.00 0.00 H new HETATM 0 HN2 A2G A 103 8.754 -12.429 10.421 1.00 0.00 H new HETATM 0 H8B A2G A 103 11.022 -12.390 9.260 1.00 0.00 H new HETATM 0 H8A A2G A 103 9.933 -11.344 8.319 1.00 0.00 H new HETATM 0 H8 A2G A 103 11.519 -10.732 8.847 1.00 0.00 H new HETATM 0 H6 A2G A 103 3.926 -10.750 14.470 1.00 0.00 H new HETATM 0 H5 A2G A 103 5.379 -12.091 13.208 1.00 0.00 H new HETATM 0 H4 A2G A 103 7.082 -12.381 14.942 1.00 0.00 H new HETATM 0 H3 A2G A 103 7.772 -13.026 12.701 1.00 0.00 H new HETATM 0 H2 A2G A 103 8.658 -10.127 12.338 1.00 0.00 H new HETATM 0 H15 A2G A 103 4.724 -10.802 16.657 1.00 0.00 H new HETATM 0 H14 A2G A 103 5.137 -9.517 14.761 1.00 0.00 H new HETATM 233 O A2G A 104 4.657 -5.513 5.390 1.00 0.00 O HETATM 234 C1 A2G A 104 4.605 -6.071 6.677 1.00 0.00 C HETATM 235 C2 A2G A 104 3.328 -5.559 7.337 1.00 0.00 C HETATM 236 N2 A2G A 104 3.232 -6.065 8.701 1.00 0.00 N HETATM 237 C3 A2G A 104 2.122 -6.023 6.519 1.00 0.00 C HETATM 238 O3 A2G A 104 0.948 -5.395 7.022 1.00 0.00 O HETATM 239 C4 A2G A 104 2.295 -5.659 5.032 1.00 0.00 C HETATM 240 O4 A2G A 104 2.120 -4.262 4.857 1.00 0.00 O HETATM 241 C5 A2G A 104 3.687 -6.067 4.537 1.00 0.00 C HETATM 242 C6 A2G A 104 3.912 -5.526 3.124 1.00 0.00 C HETATM 243 O6 A2G A 104 2.672 -5.468 2.434 1.00 0.00 O HETATM 244 C7 A2G A 104 3.196 -5.238 9.740 1.00 0.00 C HETATM 245 O7 A2G A 104 3.243 -4.013 9.624 1.00 0.00 O HETATM 246 C8 A2G A 104 3.104 -5.889 11.115 1.00 0.00 C HETATM 0 HO4 A2G A 104 2.985 -3.810 4.948 1.00 0.00 H new HETATM 0 HO3 A2G A 104 0.721 -4.627 6.458 1.00 0.00 H new HETATM 0 HN2 A2G A 104 3.192 -7.072 8.860 1.00 0.00 H new HETATM 0 H8B A2G A 104 2.194 -6.486 11.175 1.00 0.00 H new HETATM 0 H8A A2G A 104 3.971 -6.531 11.272 1.00 0.00 H new HETATM 0 H8 A2G A 104 3.082 -5.116 11.883 1.00 0.00 H new HETATM 0 H6 A2G A 104 4.610 -6.167 2.585 1.00 0.00 H new HETATM 0 H5 A2G A 104 3.763 -7.154 4.530 1.00 0.00 H new HETATM 0 H4 A2G A 104 1.544 -6.197 4.453 1.00 0.00 H new HETATM 0 H3 A2G A 104 2.038 -7.106 6.604 1.00 0.00 H new HETATM 0 H2 A2G A 104 3.347 -4.470 7.372 1.00 0.00 H new HETATM 0 H15 A2G A 104 2.817 -5.120 1.530 1.00 0.00 H new HETATM 0 H14 A2G A 104 4.361 -4.534 3.171 1.00 0.00 H new