USER MOD reduce.3.24.130724 H: found=0, std=0, add=102, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 102 hydrogens (8 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 Set 1.1: A 1 DC O5' : rot 175:sc= 1.03 USER MOD Set 1.2: A 9 DG O3' : rot 92:sc= 1.18 USER MOD Single : A 2 DT C7 :methyl 150:sc=-0.00876 (180deg=-0.00876) USER MOD Single : A 3 DT C7 :methyl 150:sc= -0.0327 (180deg=-0.0327) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.0656 (180deg=-0.0656) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.310 -4.753 12.720 1.00 0.00 O ATOM 2 C5' DC A 1 -8.795 -5.928 12.096 1.00 0.00 C ATOM 3 C4' DC A 1 -7.463 -5.647 11.385 1.00 0.00 C ATOM 4 O4' DC A 1 -6.450 -5.386 12.330 1.00 0.00 O ATOM 5 C3' DC A 1 -6.926 -6.808 10.534 1.00 0.00 C ATOM 6 O3' DC A 1 -7.208 -6.598 9.164 1.00 0.00 O ATOM 7 C2' DC A 1 -5.418 -6.793 10.808 1.00 0.00 C ATOM 8 C1' DC A 1 -5.233 -5.543 11.653 1.00 0.00 C ATOM 9 N1 DC A 1 -4.100 -5.698 12.583 1.00 0.00 N ATOM 10 C2 DC A 1 -2.884 -5.091 12.262 1.00 0.00 C ATOM 11 O2 DC A 1 -2.774 -4.370 11.274 1.00 0.00 O ATOM 12 N3 DC A 1 -1.791 -5.326 13.029 1.00 0.00 N ATOM 13 C4 DC A 1 -1.877 -6.193 14.021 1.00 0.00 C ATOM 14 N4 DC A 1 -0.782 -6.386 14.710 1.00 0.00 N ATOM 15 C5 DC A 1 -3.079 -6.892 14.334 1.00 0.00 C ATOM 16 C6 DC A 1 -4.181 -6.596 13.611 1.00 0.00 C ATOM 0 H5' DC A 1 -9.520 -6.307 11.376 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.652 -6.707 12.845 1.00 0.00 H new ATOM 0 H4' DC A 1 -7.688 -4.802 10.735 1.00 0.00 H new ATOM 0 H3' DC A 1 -7.382 -7.767 10.781 1.00 0.00 H new ATOM 0 H2' DC A 1 -5.096 -7.689 11.338 1.00 0.00 H new ATOM 0 H2'' DC A 1 -4.841 -6.744 9.885 1.00 0.00 H new ATOM 0 HO5' DC A 1 -10.196 -4.943 13.094 1.00 0.00 H new ATOM 0 H1' DC A 1 -4.995 -4.665 11.052 1.00 0.00 H new ATOM 0 H41 DC A 1 -0.780 -7.043 15.490 1.00 0.00 H new ATOM 0 H42 DC A 1 0.069 -5.879 14.467 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.108 -7.631 15.121 1.00 0.00 H new ATOM 0 H6 DC A 1 -5.124 -7.068 13.844 1.00 0.00 H new ATOM 29 P DT A 2 -6.880 -7.721 8.066 1.00 0.00 P ATOM 30 OP1 DT A 2 -7.609 -7.390 6.826 1.00 0.00 O ATOM 31 OP2 DT A 2 -7.198 -9.051 8.627 1.00 0.00 O ATOM 32 O5' DT A 2 -5.300 -7.605 7.808 1.00 0.00 O ATOM 33 C5' DT A 2 -4.674 -8.236 6.709 1.00 0.00 C ATOM 34 C4' DT A 2 -3.231 -7.741 6.510 1.00 0.00 C ATOM 35 O4' DT A 2 -3.246 -6.358 6.195 1.00 0.00 O ATOM 36 C3' DT A 2 -2.356 -7.952 7.751 1.00 0.00 C ATOM 37 O3' DT A 2 -1.225 -8.783 7.460 1.00 0.00 O ATOM 38 C2' DT A 2 -2.041 -6.534 8.243 1.00 0.00 C ATOM 39 C1' DT A 2 -2.321 -5.664 7.014 1.00 0.00 C ATOM 40 N1 DT A 2 -2.902 -4.355 7.401 1.00 0.00 N ATOM 41 C2 DT A 2 -2.066 -3.236 7.414 1.00 0.00 C ATOM 42 O2 DT A 2 -0.864 -3.274 7.175 1.00 0.00 O ATOM 43 N3 DT A 2 -2.639 -2.039 7.783 1.00 0.00 N ATOM 44 C4 DT A 2 -3.932 -1.877 8.234 1.00 0.00 C ATOM 45 O4 DT A 2 -4.284 -0.764 8.607 1.00 0.00 O ATOM 46 C5 DT A 2 -4.747 -3.089 8.226 1.00 0.00 C ATOM 47 C7 DT A 2 -6.194 -3.036 8.678 1.00 0.00 C ATOM 48 C6 DT A 2 -4.219 -4.268 7.807 1.00 0.00 C ATOM 0 H5' DT A 2 -5.251 -8.046 5.804 1.00 0.00 H new ATOM 0 H5'' DT A 2 -4.670 -9.315 6.864 1.00 0.00 H new ATOM 0 H4' DT A 2 -2.802 -8.326 5.696 1.00 0.00 H new ATOM 0 H3' DT A 2 -2.845 -8.509 8.550 1.00 0.00 H new ATOM 0 H2' DT A 2 -2.670 -6.252 9.087 1.00 0.00 H new ATOM 0 H2'' DT A 2 -1.006 -6.443 8.573 1.00 0.00 H new ATOM 0 H1' DT A 2 -1.386 -5.474 6.487 1.00 0.00 H new ATOM 0 H3 DT A 2 -2.059 -1.203 7.717 1.00 0.00 H new ATOM 0 H71 DT A 2 -6.770 -3.793 8.145 1.00 0.00 H new ATOM 0 H72 DT A 2 -6.248 -3.227 9.750 1.00 0.00 H new ATOM 0 H73 DT A 2 -6.606 -2.050 8.464 1.00 0.00 H new ATOM 0 H6 DT A 2 -4.839 -5.152 7.791 1.00 0.00 H new ATOM 61 P DT A 3 0.105 -8.315 6.658 1.00 0.00 P ATOM 62 OP1 DT A 3 -0.191 -7.276 5.660 1.00 0.00 O ATOM 63 OP2 DT A 3 0.924 -9.467 6.224 1.00 0.00 O ATOM 64 O5' DT A 3 0.973 -7.655 7.813 1.00 0.00 O ATOM 65 C5' DT A 3 1.451 -6.324 7.767 1.00 0.00 C ATOM 66 C4' DT A 3 2.382 -6.144 8.956 1.00 0.00 C ATOM 67 O4' DT A 3 1.729 -6.232 10.204 1.00 0.00 O ATOM 68 C3' DT A 3 3.511 -7.204 8.919 1.00 0.00 C ATOM 69 O3' DT A 3 4.819 -6.734 8.660 1.00 0.00 O ATOM 70 C2' DT A 3 3.436 -7.893 10.273 1.00 0.00 C ATOM 71 C1' DT A 3 2.478 -7.039 11.101 1.00 0.00 C ATOM 72 N1 DT A 3 1.531 -7.889 11.868 1.00 0.00 N ATOM 73 C2 DT A 3 1.882 -8.324 13.147 1.00 0.00 C ATOM 74 O2 DT A 3 2.988 -8.148 13.647 1.00 0.00 O ATOM 75 N3 DT A 3 0.908 -9.000 13.856 1.00 0.00 N ATOM 76 C4 DT A 3 -0.392 -9.221 13.436 1.00 0.00 C ATOM 77 O4 DT A 3 -1.185 -9.721 14.228 1.00 0.00 O ATOM 78 C5 DT A 3 -0.665 -8.791 12.065 1.00 0.00 C ATOM 79 C7 DT A 3 -2.040 -8.913 11.438 1.00 0.00 C ATOM 80 C6 DT A 3 0.300 -8.190 11.332 1.00 0.00 C ATOM 0 H5' DT A 3 0.624 -5.616 7.814 1.00 0.00 H new ATOM 0 H5'' DT A 3 1.979 -6.136 6.832 1.00 0.00 H new ATOM 0 H4' DT A 3 2.785 -5.136 8.864 1.00 0.00 H new ATOM 0 H3' DT A 3 3.340 -7.861 8.067 1.00 0.00 H new ATOM 0 H2' DT A 3 3.069 -8.915 10.176 1.00 0.00 H new ATOM 0 H2'' DT A 3 4.419 -7.950 10.741 1.00 0.00 H new ATOM 0 H1' DT A 3 3.053 -6.437 11.804 1.00 0.00 H new ATOM 0 H3 DT A 3 1.170 -9.369 14.770 1.00 0.00 H new ATOM 0 H71 DT A 3 -2.177 -8.118 10.705 1.00 0.00 H new ATOM 0 H72 DT A 3 -2.131 -9.881 10.945 1.00 0.00 H new ATOM 0 H73 DT A 3 -2.802 -8.827 12.213 1.00 0.00 H new ATOM 0 H6 DT A 3 0.099 -7.940 10.301 1.00 0.00 H new ATOM 93 P DG A 4 5.289 -6.303 7.177 1.00 0.00 P ATOM 94 OP1 DG A 4 4.353 -6.903 6.190 1.00 0.00 O ATOM 95 OP2 DG A 4 6.748 -6.540 7.067 1.00 0.00 O ATOM 96 O5' DG A 4 5.083 -4.711 7.241 1.00 0.00 O ATOM 97 C5' DG A 4 5.614 -4.008 8.350 1.00 0.00 C ATOM 98 C4' DG A 4 5.530 -2.481 8.252 1.00 0.00 C ATOM 99 O4' DG A 4 4.211 -2.034 8.549 1.00 0.00 O ATOM 100 C3' DG A 4 6.464 -1.821 9.288 1.00 0.00 C ATOM 101 O3' DG A 4 7.672 -1.267 8.786 1.00 0.00 O ATOM 102 C2' DG A 4 5.582 -0.703 9.815 1.00 0.00 C ATOM 103 C1' DG A 4 4.215 -1.355 9.793 1.00 0.00 C ATOM 104 N9 DG A 4 3.937 -2.292 10.916 1.00 0.00 N ATOM 105 C8 DG A 4 4.722 -2.759 11.952 1.00 0.00 C ATOM 106 N7 DG A 4 4.095 -3.567 12.765 1.00 0.00 N ATOM 107 C5 DG A 4 2.782 -3.584 12.284 1.00 0.00 C ATOM 108 C6 DG A 4 1.584 -4.206 12.779 1.00 0.00 C ATOM 109 O6 DG A 4 1.423 -4.936 13.756 1.00 0.00 O ATOM 110 N1 DG A 4 0.465 -3.906 12.024 1.00 0.00 N ATOM 111 C2 DG A 4 0.487 -3.130 10.904 1.00 0.00 C ATOM 112 N2 DG A 4 -0.625 -2.998 10.229 1.00 0.00 N ATOM 113 N3 DG A 4 1.571 -2.534 10.426 1.00 0.00 N ATOM 114 C4 DG A 4 2.688 -2.797 11.160 1.00 0.00 C ATOM 0 H5' DG A 4 6.659 -4.292 8.474 1.00 0.00 H new ATOM 0 H5'' DG A 4 5.088 -4.328 9.249 1.00 0.00 H new ATOM 0 H4' DG A 4 5.816 -2.207 7.237 1.00 0.00 H new ATOM 0 H3' DG A 4 6.820 -2.561 10.005 1.00 0.00 H new ATOM 0 H2' DG A 4 5.871 -0.392 10.819 1.00 0.00 H new ATOM 0 H2'' DG A 4 5.623 0.184 9.182 1.00 0.00 H new ATOM 0 H1' DG A 4 3.430 -0.608 9.913 1.00 0.00 H new ATOM 0 H8 DG A 4 5.758 -2.482 12.078 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.432 -4.289 12.324 1.00 0.00 H new ATOM 0 H21 DG A 4 -0.645 -2.425 9.386 1.00 0.00 H new ATOM 0 H22 DG A 4 -1.473 -3.469 10.546 1.00 0.00 H new HETATM 126 O5' 3DR A 5 9.179 -2.203 10.583 1.00 0.00 O HETATM 127 P 3DR A 5 9.066 -2.046 8.978 1.00 0.00 P HETATM 128 OP1 3DR A 5 10.094 -1.095 8.501 1.00 0.00 O HETATM 129 OP2 3DR A 5 8.933 -3.385 8.357 1.00 0.00 O HETATM 130 C2' 3DR A 5 7.989 0.966 13.907 1.00 0.00 C HETATM 131 C5' 3DR A 5 9.554 -1.147 11.470 1.00 0.00 C HETATM 132 C4' 3DR A 5 8.429 -0.159 11.817 1.00 0.00 C HETATM 133 O4' 3DR A 5 7.447 -0.837 12.595 1.00 0.00 O HETATM 134 C1' 3DR A 5 7.655 -0.513 13.953 1.00 0.00 C HETATM 135 C3' 3DR A 5 8.935 1.006 12.712 1.00 0.00 C HETATM 136 O3' 3DR A 5 8.981 2.350 12.221 1.00 0.00 O HETATM 0 H5'' 3DR A 5 9.930 -1.586 12.394 1.00 0.00 H new HETATM 0 H4'1 3DR A 5 8.042 0.229 10.875 1.00 0.00 H new HETATM 0 H2'' 3DR A 5 7.105 1.585 13.755 1.00 0.00 H new HETATM 0 H1'2 3DR A 5 8.467 -1.096 14.387 1.00 0.00 H new HETATM 0 H1'1 3DR A 5 6.767 -0.707 14.554 1.00 0.00 H new HETATM 0 H5' 3DR A 5 10.379 -0.592 11.022 1.00 0.00 H new HETATM 0 H3' 3DR A 5 9.997 0.817 12.869 1.00 0.00 H new HETATM 0 H2' 3DR A 5 8.466 1.311 14.824 1.00 0.00 H new ATOM 145 P DC A 6 8.178 2.920 10.938 1.00 0.00 P ATOM 146 OP1 DC A 6 8.613 2.176 9.736 1.00 0.00 O ATOM 147 OP2 DC A 6 8.404 4.377 11.024 1.00 0.00 O ATOM 148 O5' DC A 6 6.618 2.663 11.182 1.00 0.00 O ATOM 149 C5' DC A 6 5.707 2.930 10.130 1.00 0.00 C ATOM 150 C4' DC A 6 4.241 2.777 10.534 1.00 0.00 C ATOM 151 O4' DC A 6 3.937 1.503 11.079 1.00 0.00 O ATOM 152 C3' DC A 6 3.771 3.841 11.528 1.00 0.00 C ATOM 153 O3' DC A 6 2.817 4.644 10.850 1.00 0.00 O ATOM 154 C2' DC A 6 3.185 3.007 12.669 1.00 0.00 C ATOM 155 C1' DC A 6 2.873 1.673 11.990 1.00 0.00 C ATOM 156 N1 DC A 6 2.819 0.535 12.947 1.00 0.00 N ATOM 157 C2 DC A 6 1.590 -0.095 13.199 1.00 0.00 C ATOM 158 O2 DC A 6 0.562 0.228 12.608 1.00 0.00 O ATOM 159 N3 DC A 6 1.506 -1.091 14.118 1.00 0.00 N ATOM 160 C4 DC A 6 2.596 -1.447 14.776 1.00 0.00 C ATOM 161 N4 DC A 6 2.479 -2.453 15.606 1.00 0.00 N ATOM 162 C5 DC A 6 3.859 -0.825 14.577 1.00 0.00 C ATOM 163 C6 DC A 6 3.946 0.149 13.638 1.00 0.00 C ATOM 0 H5' DC A 6 5.918 2.257 9.299 1.00 0.00 H new ATOM 0 H5'' DC A 6 5.871 3.945 9.768 1.00 0.00 H new ATOM 0 H4' DC A 6 3.706 2.902 9.593 1.00 0.00 H new ATOM 0 H3' DC A 6 4.528 4.524 11.914 1.00 0.00 H new ATOM 0 H2' DC A 6 3.894 2.888 13.488 1.00 0.00 H new ATOM 0 H2'' DC A 6 2.290 3.467 13.087 1.00 0.00 H new ATOM 0 H1' DC A 6 1.890 1.687 11.519 1.00 0.00 H new ATOM 0 H41 DC A 6 3.288 -2.770 16.140 1.00 0.00 H new ATOM 0 H42 DC A 6 1.579 -2.919 15.718 1.00 0.00 H new ATOM 0 H5 DC A 6 4.722 -1.119 15.156 1.00 0.00 H new ATOM 0 H6 DC A 6 4.896 0.621 13.433 1.00 0.00 H new ATOM 175 P DT A 7 2.152 5.942 11.505 1.00 0.00 P ATOM 176 OP1 DT A 7 1.716 6.845 10.420 1.00 0.00 O ATOM 177 OP2 DT A 7 3.099 6.545 12.465 1.00 0.00 O ATOM 178 O5' DT A 7 0.875 5.363 12.276 1.00 0.00 O ATOM 179 C5' DT A 7 -0.274 6.150 12.529 1.00 0.00 C ATOM 180 C4' DT A 7 -1.392 5.300 13.149 1.00 0.00 C ATOM 181 O4' DT A 7 -1.997 4.489 12.166 1.00 0.00 O ATOM 182 C3' DT A 7 -0.931 4.425 14.322 1.00 0.00 C ATOM 183 O3' DT A 7 -1.682 4.629 15.523 1.00 0.00 O ATOM 184 C2' DT A 7 -0.971 3.020 13.716 1.00 0.00 C ATOM 185 C1' DT A 7 -2.025 3.148 12.611 1.00 0.00 C ATOM 186 N1 DT A 7 -1.709 2.325 11.432 1.00 0.00 N ATOM 187 C2 DT A 7 -2.594 1.329 11.026 1.00 0.00 C ATOM 188 O2 DT A 7 -3.568 0.968 11.680 1.00 0.00 O ATOM 189 N3 DT A 7 -2.294 0.690 9.844 1.00 0.00 N ATOM 190 C4 DT A 7 -1.187 0.923 9.051 1.00 0.00 C ATOM 191 O4 DT A 7 -1.040 0.239 8.041 1.00 0.00 O ATOM 192 C5 DT A 7 -0.328 2.008 9.527 1.00 0.00 C ATOM 193 C7 DT A 7 0.846 2.532 8.737 1.00 0.00 C ATOM 194 C6 DT A 7 -0.613 2.653 10.680 1.00 0.00 C ATOM 0 H5' DT A 7 -0.625 6.598 11.600 1.00 0.00 H new ATOM 0 H5'' DT A 7 -0.018 6.969 13.201 1.00 0.00 H new ATOM 0 H4' DT A 7 -2.113 6.011 13.553 1.00 0.00 H new ATOM 0 H3' DT A 7 0.064 4.665 14.697 1.00 0.00 H new ATOM 0 H2' DT A 7 -0.001 2.726 13.316 1.00 0.00 H new ATOM 0 H2'' DT A 7 -1.251 2.270 14.455 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.983 2.830 13.021 1.00 0.00 H new ATOM 0 H3 DT A 7 -2.950 -0.022 9.524 1.00 0.00 H new ATOM 0 H71 DT A 7 0.996 3.587 8.965 1.00 0.00 H new ATOM 0 H72 DT A 7 1.743 1.972 9.003 1.00 0.00 H new ATOM 0 H73 DT A 7 0.649 2.416 7.671 1.00 0.00 H new ATOM 0 H6 DT A 7 0.039 3.446 11.016 1.00 0.00 H new ATOM 207 P DT A 8 -3.204 4.140 15.782 1.00 0.00 P ATOM 208 OP1 DT A 8 -4.009 4.255 14.555 1.00 0.00 O ATOM 209 OP2 DT A 8 -3.738 4.741 17.028 1.00 0.00 O ATOM 210 O5' DT A 8 -2.999 2.594 16.123 1.00 0.00 O ATOM 211 C5' DT A 8 -3.844 1.571 15.622 1.00 0.00 C ATOM 212 C4' DT A 8 -3.749 0.369 16.567 1.00 0.00 C ATOM 213 O4' DT A 8 -2.474 -0.237 16.423 1.00 0.00 O ATOM 214 C3' DT A 8 -3.909 0.801 18.038 1.00 0.00 C ATOM 215 O3' DT A 8 -4.922 0.092 18.723 1.00 0.00 O ATOM 216 C2' DT A 8 -2.548 0.550 18.662 1.00 0.00 C ATOM 217 C1' DT A 8 -1.884 -0.420 17.692 1.00 0.00 C ATOM 218 N1 DT A 8 -0.417 -0.185 17.612 1.00 0.00 N ATOM 219 C2 DT A 8 0.428 -1.097 18.253 1.00 0.00 C ATOM 220 O2 DT A 8 0.029 -2.129 18.798 1.00 0.00 O ATOM 221 N3 DT A 8 1.775 -0.803 18.247 1.00 0.00 N ATOM 222 C4 DT A 8 2.364 0.275 17.615 1.00 0.00 C ATOM 223 O4 DT A 8 3.587 0.371 17.643 1.00 0.00 O ATOM 224 C5 DT A 8 1.427 1.188 16.966 1.00 0.00 C ATOM 225 C7 DT A 8 1.954 2.424 16.260 1.00 0.00 C ATOM 226 C6 DT A 8 0.088 0.942 16.988 1.00 0.00 C ATOM 0 H5' DT A 8 -3.542 1.287 14.614 1.00 0.00 H new ATOM 0 H5'' DT A 8 -4.873 1.925 15.558 1.00 0.00 H new ATOM 0 H4' DT A 8 -4.548 -0.326 16.310 1.00 0.00 H new ATOM 0 H3' DT A 8 -4.221 1.843 18.103 1.00 0.00 H new ATOM 0 H2' DT A 8 -1.976 1.472 18.761 1.00 0.00 H new ATOM 0 H2'' DT A 8 -2.637 0.121 19.660 1.00 0.00 H new ATOM 0 H1' DT A 8 -2.030 -1.442 18.042 1.00 0.00 H new ATOM 0 H3 DT A 8 2.391 -1.438 18.754 1.00 0.00 H new ATOM 0 H71 DT A 8 1.291 2.682 15.434 1.00 0.00 H new ATOM 0 H72 DT A 8 1.996 3.255 16.964 1.00 0.00 H new ATOM 0 H73 DT A 8 2.954 2.224 15.874 1.00 0.00 H new ATOM 0 H6 DT A 8 -0.589 1.636 16.512 1.00 0.00 H new ATOM 239 P DG A 9 -6.476 0.510 18.566 1.00 0.00 P ATOM 240 OP1 DG A 9 -6.519 1.955 18.220 1.00 0.00 O ATOM 241 OP2 DG A 9 -7.212 0.008 19.742 1.00 0.00 O ATOM 242 O5' DG A 9 -6.940 -0.322 17.271 1.00 0.00 O ATOM 243 C5' DG A 9 -7.081 -1.730 17.325 1.00 0.00 C ATOM 244 C4' DG A 9 -7.586 -2.263 15.973 1.00 0.00 C ATOM 245 O4' DG A 9 -6.541 -2.279 15.014 1.00 0.00 O ATOM 246 C3' DG A 9 -8.127 -3.703 16.029 1.00 0.00 C ATOM 247 O3' DG A 9 -9.337 -3.834 15.294 1.00 0.00 O ATOM 248 C2' DG A 9 -7.038 -4.576 15.407 1.00 0.00 C ATOM 249 C1' DG A 9 -5.978 -3.575 14.918 1.00 0.00 C ATOM 250 N9 DG A 9 -4.651 -3.633 15.592 1.00 0.00 N ATOM 251 C8 DG A 9 -4.234 -4.332 16.707 1.00 0.00 C ATOM 252 N7 DG A 9 -2.947 -4.275 16.940 1.00 0.00 N ATOM 253 C5 DG A 9 -2.475 -3.494 15.882 1.00 0.00 C ATOM 254 C6 DG A 9 -1.137 -3.113 15.546 1.00 0.00 C ATOM 255 O6 DG A 9 -0.103 -3.421 16.134 1.00 0.00 O ATOM 256 N1 DG A 9 -1.058 -2.286 14.449 1.00 0.00 N ATOM 257 C2 DG A 9 -2.141 -1.878 13.736 1.00 0.00 C ATOM 258 N2 DG A 9 -1.919 -0.960 12.831 1.00 0.00 N ATOM 259 N3 DG A 9 -3.396 -2.267 13.977 1.00 0.00 N ATOM 260 C4 DG A 9 -3.504 -3.071 15.077 1.00 0.00 C ATOM 0 H5' DG A 9 -7.779 -2.003 18.116 1.00 0.00 H new ATOM 0 H5'' DG A 9 -6.124 -2.190 17.572 1.00 0.00 H new ATOM 0 H4' DG A 9 -8.394 -1.583 15.702 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.355 -3.994 17.055 1.00 0.00 H new ATOM 0 H2' DG A 9 -6.622 -5.271 16.136 1.00 0.00 H new ATOM 0 H2'' DG A 9 -7.430 -5.174 14.584 1.00 0.00 H new ATOM 0 HO3' DG A 9 -9.134 -4.112 14.376 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.738 -3.851 13.891 1.00 0.00 H new ATOM 0 H8 DG A 9 -4.916 -4.883 17.338 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.137 -1.962 14.155 1.00 0.00 H new ATOM 0 H21 DG A 9 -2.689 -0.609 12.261 1.00 0.00 H new ATOM 0 H22 DG A 9 -0.976 -0.595 12.696 1.00 0.00 H new TER 273 DG A 9 HETATM 274 NA NA A 101 8.574 -5.379 7.480 1.00 0.00 NA HETATM 275 NA NA A 102 9.440 4.624 12.970 1.00 0.00 NA HETATM 276 NA NA A 103 2.713 -8.250 5.506 1.00 0.00 NA HETATM 277 NA NA A 104 -5.722 3.914 17.598 1.00 0.00 NA HETATM 278 NA NA A 105 9.057 0.817 8.074 1.00 0.00 NA HETATM 279 NA NA A 106 -0.792 -4.208 18.217 1.00 0.00 NA HETATM 280 NA NA A 107 -8.755 -9.375 6.945 1.00 0.00 NA HETATM 281 NA NA A 108 3.165 8.465 11.180 1.00 0.00 NA