USER MOD reduce.3.24.130724 H: found=0, std=0, add=93, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 93 hydrogens (0 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 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= 0 (180deg=-0.615) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -6.888 -3.462 6.118 1.00 0.00 O ATOM 2 C5' DC A 1 -5.878 -4.012 6.941 1.00 0.00 C ATOM 3 C4' DC A 1 -4.966 -2.909 7.491 1.00 0.00 C ATOM 4 O4' DC A 1 -3.958 -3.467 8.311 1.00 0.00 O ATOM 5 C3' DC A 1 -4.250 -2.103 6.395 1.00 0.00 C ATOM 6 O3' DC A 1 -4.765 -0.780 6.386 1.00 0.00 O ATOM 7 C2' DC A 1 -2.784 -2.153 6.823 1.00 0.00 C ATOM 8 C1' DC A 1 -2.869 -2.568 8.292 1.00 0.00 C ATOM 9 N1 DC A 1 -1.584 -3.158 8.762 1.00 0.00 N ATOM 10 C2 DC A 1 -0.544 -2.280 9.090 1.00 0.00 C ATOM 11 O2 DC A 1 -0.699 -1.061 9.026 1.00 0.00 O ATOM 12 N3 DC A 1 0.658 -2.796 9.479 1.00 0.00 N ATOM 13 C4 DC A 1 0.846 -4.120 9.570 1.00 0.00 C ATOM 14 N4 DC A 1 2.045 -4.571 9.951 1.00 0.00 N ATOM 15 C5 DC A 1 -0.220 -5.042 9.282 1.00 0.00 C ATOM 16 C6 DC A 1 -1.408 -4.519 8.887 1.00 0.00 C ATOM 0 H5' DC A 1 -5.287 -4.728 6.370 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.333 -4.560 7.766 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.626 -2.243 8.047 1.00 0.00 H new ATOM 0 H3' DC A 1 -4.384 -2.487 5.384 1.00 0.00 H new ATOM 0 H2' DC A 1 -2.215 -2.872 6.233 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.296 -1.186 6.704 1.00 0.00 H new ATOM 0 HO5' DC A 1 -7.459 -4.181 5.775 1.00 0.00 H new ATOM 0 H1' DC A 1 -3.029 -1.739 8.981 1.00 0.00 H new ATOM 0 H41 DC A 1 2.212 -5.574 10.027 1.00 0.00 H new ATOM 0 H42 DC A 1 2.793 -3.912 10.165 1.00 0.00 H new ATOM 0 H5 DC A 1 -0.080 -6.109 9.376 1.00 0.00 H new ATOM 0 H6 DC A 1 -2.231 -5.182 8.666 1.00 0.00 H new ATOM 29 P DT A 2 -4.664 0.200 5.101 1.00 0.00 P ATOM 30 OP1 DT A 2 -5.788 1.158 5.192 1.00 0.00 O ATOM 31 OP2 DT A 2 -4.514 -0.610 3.872 1.00 0.00 O ATOM 32 O5' DT A 2 -3.295 1.013 5.346 1.00 0.00 O ATOM 33 C5' DT A 2 -3.020 2.230 4.673 1.00 0.00 C ATOM 34 C4' DT A 2 -1.775 2.915 5.254 1.00 0.00 C ATOM 35 O4' DT A 2 -2.030 3.231 6.616 1.00 0.00 O ATOM 36 C3' DT A 2 -0.525 2.024 5.181 1.00 0.00 C ATOM 37 O3' DT A 2 0.651 2.672 4.671 1.00 0.00 O ATOM 38 C2' DT A 2 -0.419 1.489 6.609 1.00 0.00 C ATOM 39 C1' DT A 2 -1.079 2.582 7.439 1.00 0.00 C ATOM 40 N1 DT A 2 -1.665 2.108 8.718 1.00 0.00 N ATOM 41 C2 DT A 2 -0.933 2.325 9.888 1.00 0.00 C ATOM 42 O2 DT A 2 0.153 2.906 9.914 1.00 0.00 O ATOM 43 N3 DT A 2 -1.502 1.858 11.063 1.00 0.00 N ATOM 44 C4 DT A 2 -2.729 1.217 11.178 1.00 0.00 C ATOM 45 O4 DT A 2 -3.133 0.872 12.285 1.00 0.00 O ATOM 46 C5 DT A 2 -3.428 1.024 9.916 1.00 0.00 C ATOM 47 C7 DT A 2 -4.782 0.339 9.910 1.00 0.00 C ATOM 48 C6 DT A 2 -2.885 1.467 8.751 1.00 0.00 C ATOM 0 H5' DT A 2 -3.878 2.897 4.757 1.00 0.00 H new ATOM 0 H5'' DT A 2 -2.870 2.036 3.611 1.00 0.00 H new ATOM 0 H4' DT A 2 -1.578 3.809 4.662 1.00 0.00 H new ATOM 0 H3' DT A 2 -0.613 1.225 4.445 1.00 0.00 H new ATOM 0 H2' DT A 2 -0.932 0.534 6.720 1.00 0.00 H new ATOM 0 H2'' DT A 2 0.618 1.330 6.904 1.00 0.00 H new ATOM 0 H1' DT A 2 -0.310 3.284 7.761 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.971 1.998 11.922 1.00 0.00 H new ATOM 0 H71 DT A 2 -4.834 -0.372 10.735 1.00 0.00 H new ATOM 0 H72 DT A 2 -5.568 1.086 10.025 1.00 0.00 H new ATOM 0 H73 DT A 2 -4.918 -0.189 8.966 1.00 0.00 H new ATOM 0 H6 DT A 2 -3.423 1.313 7.828 1.00 0.00 H new ATOM 61 P DT A 3 1.223 4.167 5.037 1.00 0.00 P ATOM 62 OP1 DT A 3 0.474 4.790 6.146 1.00 0.00 O ATOM 63 OP2 DT A 3 1.396 4.913 3.772 1.00 0.00 O ATOM 64 O5' DT A 3 2.700 3.849 5.590 1.00 0.00 O ATOM 65 C5' DT A 3 2.899 2.850 6.565 1.00 0.00 C ATOM 66 C4' DT A 3 4.364 2.718 6.973 1.00 0.00 C ATOM 67 O4' DT A 3 4.474 1.525 7.732 1.00 0.00 O ATOM 68 C3' DT A 3 5.323 2.575 5.783 1.00 0.00 C ATOM 69 O3' DT A 3 6.601 3.135 6.049 1.00 0.00 O ATOM 70 C2' DT A 3 5.414 1.069 5.591 1.00 0.00 C ATOM 71 C1' DT A 3 5.204 0.546 7.011 1.00 0.00 C ATOM 72 N1 DT A 3 4.543 -0.795 7.029 1.00 0.00 N ATOM 73 C2 DT A 3 5.338 -1.913 7.316 1.00 0.00 C ATOM 74 O2 DT A 3 6.527 -1.838 7.623 1.00 0.00 O ATOM 75 N3 DT A 3 4.721 -3.155 7.225 1.00 0.00 N ATOM 76 C4 DT A 3 3.411 -3.388 6.828 1.00 0.00 C ATOM 77 O4 DT A 3 2.986 -4.540 6.770 1.00 0.00 O ATOM 78 C5 DT A 3 2.662 -2.182 6.499 1.00 0.00 C ATOM 79 C7 DT A 3 1.230 -2.301 6.005 1.00 0.00 C ATOM 80 C6 DT A 3 3.233 -0.954 6.617 1.00 0.00 C ATOM 0 H5' DT A 3 2.545 1.894 6.179 1.00 0.00 H new ATOM 0 H5'' DT A 3 2.299 3.081 7.445 1.00 0.00 H new ATOM 0 H4' DT A 3 4.639 3.623 7.515 1.00 0.00 H new ATOM 0 H3' DT A 3 4.969 3.106 4.899 1.00 0.00 H new ATOM 0 H2' DT A 3 4.652 0.700 4.905 1.00 0.00 H new ATOM 0 H2'' DT A 3 6.380 0.768 5.186 1.00 0.00 H new ATOM 0 H1' DT A 3 6.169 0.386 7.493 1.00 0.00 H new ATOM 0 H3 DT A 3 5.282 -3.970 7.473 1.00 0.00 H new ATOM 0 H71 DT A 3 0.667 -1.417 6.304 1.00 0.00 H new ATOM 0 H72 DT A 3 1.226 -2.384 4.918 1.00 0.00 H new ATOM 0 H73 DT A 3 0.768 -3.188 6.438 1.00 0.00 H new ATOM 0 H6 DT A 3 2.647 -0.078 6.382 1.00 0.00 H new ATOM 93 P DG A 4 6.875 4.732 5.954 1.00 0.00 P ATOM 94 OP1 DG A 4 5.963 5.310 4.940 1.00 0.00 O ATOM 95 OP2 DG A 4 8.336 4.921 5.815 1.00 0.00 O ATOM 96 O5' DG A 4 6.422 5.288 7.402 1.00 0.00 O ATOM 97 C5' DG A 4 7.272 5.246 8.536 1.00 0.00 C ATOM 98 C4' DG A 4 6.502 4.709 9.743 1.00 0.00 C ATOM 99 O4' DG A 4 6.202 3.337 9.569 1.00 0.00 O ATOM 100 C3' DG A 4 7.307 4.807 11.048 1.00 0.00 C ATOM 101 O3' DG A 4 6.588 5.631 11.955 1.00 0.00 O ATOM 102 C2' DG A 4 7.383 3.359 11.529 1.00 0.00 C ATOM 103 C1' DG A 4 6.155 2.763 10.854 1.00 0.00 C ATOM 104 N9 DG A 4 6.150 1.286 10.767 1.00 0.00 N ATOM 105 C8 DG A 4 7.187 0.388 10.834 1.00 0.00 C ATOM 106 N7 DG A 4 6.815 -0.862 10.771 1.00 0.00 N ATOM 107 C5 DG A 4 5.429 -0.799 10.647 1.00 0.00 C ATOM 108 C6 DG A 4 4.453 -1.837 10.487 1.00 0.00 C ATOM 109 O6 DG A 4 4.615 -3.056 10.449 1.00 0.00 O ATOM 110 N1 DG A 4 3.163 -1.332 10.337 1.00 0.00 N ATOM 111 C2 DG A 4 2.846 0.009 10.376 1.00 0.00 C ATOM 112 N2 DG A 4 1.573 0.331 10.181 1.00 0.00 N ATOM 113 N3 DG A 4 3.745 0.983 10.572 1.00 0.00 N ATOM 114 C4 DG A 4 5.019 0.516 10.682 1.00 0.00 C ATOM 0 H5' DG A 4 7.654 6.244 8.752 1.00 0.00 H new ATOM 0 H5'' DG A 4 8.134 4.611 8.332 1.00 0.00 H new ATOM 0 H4' DG A 4 5.602 5.321 9.812 1.00 0.00 H new ATOM 0 H3' DG A 4 8.300 5.244 10.943 1.00 0.00 H new ATOM 0 H2' DG A 4 8.305 2.868 11.216 1.00 0.00 H new ATOM 0 H2'' DG A 4 7.334 3.282 12.615 1.00 0.00 H new ATOM 0 H1' DG A 4 5.251 2.978 11.424 1.00 0.00 H new ATOM 0 H8 DG A 4 8.220 0.689 10.930 1.00 0.00 H new ATOM 0 H1 DG A 4 2.404 -1.997 10.189 1.00 0.00 H new ATOM 0 H21 DG A 4 1.286 1.310 10.200 1.00 0.00 H new ATOM 0 H22 DG A 4 0.882 -0.400 10.012 1.00 0.00 H new ATOM 126 P DC A 5 7.304 6.386 13.191 1.00 0.00 P ATOM 127 OP1 DC A 5 6.350 7.384 13.727 1.00 0.00 O ATOM 128 OP2 DC A 5 8.641 6.848 12.756 1.00 0.00 O ATOM 129 O5' DC A 5 7.501 5.210 14.284 1.00 0.00 O ATOM 130 C5' DC A 5 6.580 4.973 15.336 1.00 0.00 C ATOM 131 C4' DC A 5 5.177 4.571 14.860 1.00 0.00 C ATOM 132 O4' DC A 5 5.200 3.353 14.148 1.00 0.00 O ATOM 133 C3' DC A 5 4.243 4.368 16.056 1.00 0.00 C ATOM 134 O3' DC A 5 3.399 5.500 16.191 1.00 0.00 O ATOM 135 C2' DC A 5 3.495 3.077 15.723 1.00 0.00 C ATOM 136 C1' DC A 5 3.933 2.747 14.297 1.00 0.00 C ATOM 137 N1 DC A 5 3.984 1.272 14.082 1.00 0.00 N ATOM 138 C2 DC A 5 2.800 0.616 13.729 1.00 0.00 C ATOM 139 O2 DC A 5 1.763 1.244 13.535 1.00 0.00 O ATOM 140 N3 DC A 5 2.811 -0.744 13.609 1.00 0.00 N ATOM 141 C4 DC A 5 3.930 -1.451 13.818 1.00 0.00 C ATOM 142 N4 DC A 5 3.876 -2.781 13.693 1.00 0.00 N ATOM 143 C5 DC A 5 5.162 -0.798 14.170 1.00 0.00 C ATOM 144 C6 DC A 5 5.142 0.555 14.293 1.00 0.00 C ATOM 0 H5' DC A 5 6.501 5.873 15.946 1.00 0.00 H new ATOM 0 H5'' DC A 5 6.974 4.186 15.979 1.00 0.00 H new ATOM 0 H4' DC A 5 4.825 5.377 14.216 1.00 0.00 H new ATOM 0 H3' DC A 5 4.748 4.276 17.018 1.00 0.00 H new ATOM 0 H2' DC A 5 3.755 2.276 16.415 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.416 3.215 15.786 1.00 0.00 H new ATOM 0 H1' DC A 5 3.231 3.122 13.552 1.00 0.00 H new ATOM 0 H41 DC A 5 4.714 -3.342 13.847 1.00 0.00 H new ATOM 0 H42 DC A 5 2.997 -3.235 13.444 1.00 0.00 H new ATOM 0 H5 DC A 5 6.069 -1.362 14.331 1.00 0.00 H new ATOM 0 H6 DC A 5 6.049 1.077 14.561 1.00 0.00 H new ATOM 156 P DG A 6 2.422 5.715 17.463 1.00 0.00 P ATOM 157 OP1 DG A 6 2.167 7.165 17.611 1.00 0.00 O ATOM 158 OP2 DG A 6 2.940 4.937 18.611 1.00 0.00 O ATOM 159 O5' DG A 6 1.058 5.008 16.990 1.00 0.00 O ATOM 160 C5' DG A 6 0.318 5.490 15.889 1.00 0.00 C ATOM 161 C4' DG A 6 -1.032 4.775 15.852 1.00 0.00 C ATOM 162 O4' DG A 6 -1.800 5.237 14.751 1.00 0.00 O ATOM 163 C3' DG A 6 -0.927 3.265 15.664 1.00 0.00 C ATOM 164 O3' DG A 6 -2.143 2.695 16.114 1.00 0.00 O ATOM 165 C2' DG A 6 -0.815 3.144 14.155 1.00 0.00 C ATOM 166 C1' DG A 6 -1.744 4.274 13.706 1.00 0.00 C ATOM 167 N9 DG A 6 -1.333 4.931 12.443 1.00 0.00 N ATOM 168 C8 DG A 6 -0.123 5.496 12.118 1.00 0.00 C ATOM 169 N7 DG A 6 -0.063 5.971 10.905 1.00 0.00 N ATOM 170 C5 DG A 6 -1.313 5.676 10.368 1.00 0.00 C ATOM 171 C6 DG A 6 -1.821 5.895 9.047 1.00 0.00 C ATOM 172 O6 DG A 6 -1.260 6.440 8.101 1.00 0.00 O ATOM 173 N1 DG A 6 -3.106 5.380 8.872 1.00 0.00 N ATOM 174 C2 DG A 6 -3.823 4.739 9.865 1.00 0.00 C ATOM 175 N2 DG A 6 -5.020 4.254 9.526 1.00 0.00 N ATOM 176 N3 DG A 6 -3.361 4.556 11.115 1.00 0.00 N ATOM 177 C4 DG A 6 -2.098 5.038 11.303 1.00 0.00 C ATOM 0 H5' DG A 6 0.863 5.315 14.962 1.00 0.00 H new ATOM 0 H5'' DG A 6 0.173 6.567 15.974 1.00 0.00 H new ATOM 0 H4' DG A 6 -1.487 4.992 16.819 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.109 2.778 16.194 1.00 0.00 H new ATOM 0 H2' DG A 6 0.207 3.286 13.804 1.00 0.00 H new ATOM 0 H2'' DG A 6 -1.144 2.170 13.793 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.720 3.833 13.503 1.00 0.00 H new ATOM 0 H8 DG A 6 0.707 5.543 12.808 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.543 5.483 7.956 1.00 0.00 H new ATOM 0 H21 DG A 6 -5.590 3.772 10.221 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.364 4.366 8.572 1.00 0.00 H new ATOM 189 P DT A 7 -2.250 1.737 17.406 1.00 0.00 P ATOM 190 OP1 DT A 7 -3.576 1.946 18.028 1.00 0.00 O ATOM 191 OP2 DT A 7 -1.020 1.872 18.223 1.00 0.00 O ATOM 192 O5' DT A 7 -2.243 0.288 16.713 1.00 0.00 O ATOM 193 C5' DT A 7 -3.212 -0.082 15.748 1.00 0.00 C ATOM 194 C4' DT A 7 -3.321 -1.605 15.639 1.00 0.00 C ATOM 195 O4' DT A 7 -2.098 -2.137 15.164 1.00 0.00 O ATOM 196 C3' DT A 7 -3.627 -2.250 16.998 1.00 0.00 C ATOM 197 O3' DT A 7 -4.699 -3.179 16.948 1.00 0.00 O ATOM 198 C2' DT A 7 -2.325 -2.935 17.390 1.00 0.00 C ATOM 199 C1' DT A 7 -1.595 -3.109 16.057 1.00 0.00 C ATOM 200 N1 DT A 7 -0.121 -2.958 16.216 1.00 0.00 N ATOM 201 C2 DT A 7 0.665 -4.112 16.310 1.00 0.00 C ATOM 202 O2 DT A 7 0.219 -5.246 16.148 1.00 0.00 O ATOM 203 N3 DT A 7 2.010 -3.923 16.614 1.00 0.00 N ATOM 204 C4 DT A 7 2.622 -2.702 16.879 1.00 0.00 C ATOM 205 O4 DT A 7 3.817 -2.665 17.163 1.00 0.00 O ATOM 206 C5 DT A 7 1.733 -1.551 16.778 1.00 0.00 C ATOM 207 C7 DT A 7 2.260 -0.156 17.059 1.00 0.00 C ATOM 208 C6 DT A 7 0.430 -1.711 16.436 1.00 0.00 C ATOM 0 H5' DT A 7 -2.944 0.338 14.778 1.00 0.00 H new ATOM 0 H5'' DT A 7 -4.181 0.337 16.020 1.00 0.00 H new ATOM 0 H4' DT A 7 -4.137 -1.826 14.950 1.00 0.00 H new ATOM 0 H3' DT A 7 -3.954 -1.503 17.722 1.00 0.00 H new ATOM 0 H2' DT A 7 -1.747 -2.329 18.087 1.00 0.00 H new ATOM 0 H2'' DT A 7 -2.507 -3.894 17.876 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.768 -4.114 15.672 1.00 0.00 H new ATOM 0 H3 DT A 7 2.600 -4.754 16.645 1.00 0.00 H new ATOM 0 H71 DT A 7 1.705 0.569 16.464 1.00 0.00 H new ATOM 0 H72 DT A 7 2.137 0.073 18.118 1.00 0.00 H new ATOM 0 H73 DT A 7 3.317 -0.107 16.797 1.00 0.00 H new ATOM 0 H6 DT A 7 -0.195 -0.837 16.333 1.00 0.00 H new ATOM 221 P DG A 8 -6.243 -2.705 16.777 1.00 0.00 P ATOM 222 OP1 DG A 8 -6.361 -1.298 17.227 1.00 0.00 O ATOM 223 OP2 DG A 8 -7.110 -3.738 17.383 1.00 0.00 O ATOM 224 O5' DG A 8 -6.464 -2.731 15.178 1.00 0.00 O ATOM 225 C5' DG A 8 -6.606 -3.951 14.474 1.00 0.00 C ATOM 226 C4' DG A 8 -6.183 -3.773 13.014 1.00 0.00 C ATOM 227 O4' DG A 8 -4.839 -3.348 12.925 1.00 0.00 O ATOM 228 C3' DG A 8 -6.256 -5.078 12.224 1.00 0.00 C ATOM 229 O3' DG A 8 -7.554 -5.316 11.718 1.00 0.00 O ATOM 230 C2' DG A 8 -5.266 -4.813 11.095 1.00 0.00 C ATOM 231 C1' DG A 8 -4.273 -3.824 11.718 1.00 0.00 C ATOM 232 N9 DG A 8 -2.946 -4.393 12.057 1.00 0.00 N ATOM 233 C8 DG A 8 -2.564 -5.690 12.298 1.00 0.00 C ATOM 234 N7 DG A 8 -1.307 -5.826 12.627 1.00 0.00 N ATOM 235 C5 DG A 8 -0.813 -4.525 12.626 1.00 0.00 C ATOM 236 C6 DG A 8 0.496 -4.015 12.928 1.00 0.00 C ATOM 237 O6 DG A 8 1.518 -4.626 13.234 1.00 0.00 O ATOM 238 N1 DG A 8 0.551 -2.626 12.861 1.00 0.00 N ATOM 239 C2 DG A 8 -0.520 -1.824 12.527 1.00 0.00 C ATOM 240 N2 DG A 8 -0.335 -0.513 12.607 1.00 0.00 N ATOM 241 N3 DG A 8 -1.730 -2.291 12.191 1.00 0.00 N ATOM 242 C4 DG A 8 -1.816 -3.647 12.275 1.00 0.00 C ATOM 0 H5' DG A 8 -7.642 -4.288 14.521 1.00 0.00 H new ATOM 0 H5'' DG A 8 -5.998 -4.723 14.945 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.873 -3.036 12.603 1.00 0.00 H new ATOM 0 H3' DG A 8 -6.029 -5.961 12.821 1.00 0.00 H new ATOM 0 H2' DG A 8 -4.771 -5.729 10.771 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.759 -4.390 10.220 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.561 -6.158 11.217 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.103 -3.053 10.966 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.244 -6.526 12.222 1.00 0.00 H new ATOM 0 H1 DG A 8 1.440 -2.172 13.072 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.095 0.125 12.371 1.00 0.00 H new ATOM 0 H22 DG A 8 0.568 -0.143 12.905 1.00 0.00 H new TER 255 DG A 8 HETATM 256 NA NA A 101 9.169 2.686 6.630 1.00 0.00 NA HETATM 257 NA NA A 102 1.038 3.181 18.869 1.00 0.00 NA HETATM 258 NA NA A 103 -6.655 0.399 2.858 1.00 0.00 NA HETATM 259 NA NA A 104 -5.872 1.084 17.666 1.00 0.00 NA HETATM 260 NA NA A 105 8.036 9.278 13.616 1.00 0.00 NA HETATM 261 NA NA A 106 3.698 5.940 4.131 1.00 0.00 NA HETATM 262 NA NA A 107 1.125 5.397 8.504 1.00 0.00 NA