USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 173 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 DG O5' : rot 32:sc= 1.23 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 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 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.7 (180deg=-3.15!) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.347 -8.868 4.632 1.00 0.00 O ATOM 2 C5' DG A 1 0.892 -9.702 5.702 1.00 0.00 C ATOM 3 C4' DG A 1 -0.572 -9.466 5.992 1.00 0.00 C ATOM 4 O4' DG A 1 -0.761 -8.071 6.337 1.00 0.00 O ATOM 5 C3' DG A 1 -1.515 -9.741 4.819 1.00 0.00 C ATOM 6 O3' DG A 1 -2.739 -10.315 5.293 1.00 0.00 O ATOM 7 C2' DG A 1 -1.754 -8.364 4.229 1.00 0.00 C ATOM 8 C1' DG A 1 -1.684 -7.464 5.447 1.00 0.00 C ATOM 9 N9 DG A 1 -1.213 -6.111 5.169 1.00 0.00 N ATOM 10 C8 DG A 1 -1.614 -4.949 5.780 1.00 0.00 C ATOM 11 N7 DG A 1 -1.007 -3.890 5.320 1.00 0.00 N ATOM 12 C5 DG A 1 -0.155 -4.384 4.340 1.00 0.00 C ATOM 13 C6 DG A 1 0.760 -3.712 3.491 1.00 0.00 C ATOM 14 O6 DG A 1 1.001 -2.502 3.418 1.00 0.00 O ATOM 15 N1 DG A 1 1.431 -4.599 2.659 1.00 0.00 N ATOM 16 C2 DG A 1 1.228 -5.955 2.623 1.00 0.00 C ATOM 17 N2 DG A 1 1.936 -6.639 1.718 1.00 0.00 N ATOM 18 N3 DG A 1 0.381 -6.595 3.407 1.00 0.00 N ATOM 19 C4 DG A 1 -0.271 -5.754 4.237 1.00 0.00 C ATOM 0 H5' DG A 1 1.480 -9.502 6.598 1.00 0.00 H new ATOM 0 H5'' DG A 1 1.050 -10.749 5.444 1.00 0.00 H new ATOM 0 H4' DG A 1 -0.819 -10.163 6.793 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.109 -10.445 4.092 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.997 -8.104 3.489 1.00 0.00 H new ATOM 0 H2'' DG A 1 -2.722 -8.299 3.732 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.852 -8.022 4.643 1.00 0.00 H new ATOM 0 H1' DG A 1 -2.693 -7.361 5.846 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.357 -4.915 6.563 1.00 0.00 H new ATOM 0 H1 DG A 1 2.130 -4.211 2.025 1.00 0.00 H new ATOM 0 H21 DG A 1 1.828 -7.651 1.644 1.00 0.00 H new ATOM 0 H22 DG A 1 2.584 -6.149 1.102 1.00 0.00 H new ATOM 32 P DG A 2 -3.969 -10.524 4.278 1.00 0.00 P ATOM 33 OP1 DG A 2 -4.820 -11.620 4.804 1.00 0.00 O ATOM 34 OP2 DG A 2 -3.414 -10.621 2.903 1.00 0.00 O ATOM 35 O5' DG A 2 -4.789 -9.162 4.384 1.00 0.00 O ATOM 36 C5' DG A 2 -5.249 -8.677 5.646 1.00 0.00 C ATOM 37 C4' DG A 2 -6.112 -7.453 5.450 1.00 0.00 C ATOM 38 O4' DG A 2 -5.254 -6.333 5.127 1.00 0.00 O ATOM 39 C3' DG A 2 -7.130 -7.567 4.311 1.00 0.00 C ATOM 40 O3' DG A 2 -8.440 -7.218 4.772 1.00 0.00 O ATOM 41 C2' DG A 2 -6.652 -6.567 3.272 1.00 0.00 C ATOM 42 C1' DG A 2 -5.832 -5.584 4.079 1.00 0.00 C ATOM 43 N9 DG A 2 -4.756 -4.947 3.327 1.00 0.00 N ATOM 44 C8 DG A 2 -3.888 -5.558 2.457 1.00 0.00 C ATOM 45 N7 DG A 2 -3.052 -4.728 1.896 1.00 0.00 N ATOM 46 C5 DG A 2 -3.385 -3.493 2.434 1.00 0.00 C ATOM 47 C6 DG A 2 -2.831 -2.209 2.198 1.00 0.00 C ATOM 48 O6 DG A 2 -1.908 -1.897 1.442 1.00 0.00 O ATOM 49 N1 DG A 2 -3.467 -1.231 2.951 1.00 0.00 N ATOM 50 C2 DG A 2 -4.492 -1.459 3.835 1.00 0.00 C ATOM 51 N2 DG A 2 -4.953 -0.392 4.496 1.00 0.00 N ATOM 52 N3 DG A 2 -5.025 -2.648 4.059 1.00 0.00 N ATOM 53 C4 DG A 2 -4.427 -3.613 3.329 1.00 0.00 C ATOM 0 H5' DG A 2 -4.398 -8.433 6.282 1.00 0.00 H new ATOM 0 H5'' DG A 2 -5.817 -9.454 6.157 1.00 0.00 H new ATOM 0 H4' DG A 2 -6.667 -7.330 6.380 1.00 0.00 H new ATOM 0 H3' DG A 2 -7.197 -8.580 3.915 1.00 0.00 H new ATOM 0 H2' DG A 2 -6.054 -7.048 2.497 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.488 -6.077 2.772 1.00 0.00 H new ATOM 0 H1' DG A 2 -6.487 -4.779 4.411 1.00 0.00 H new ATOM 0 H8 DG A 2 -3.896 -6.619 2.257 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.148 -0.269 2.839 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.714 -0.497 5.167 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.543 0.527 4.329 1.00 0.00 H new ATOM 65 P DT A 3 -9.733 -7.829 4.036 1.00 0.00 P ATOM 66 OP1 DT A 3 -10.924 -7.159 4.615 1.00 0.00 O ATOM 67 OP2 DT A 3 -9.635 -9.311 4.075 1.00 0.00 O ATOM 68 O5' DT A 3 -9.578 -7.349 2.524 1.00 0.00 O ATOM 69 C5' DT A 3 -10.148 -8.100 1.448 1.00 0.00 C ATOM 70 C4' DT A 3 -11.004 -7.205 0.581 1.00 0.00 C ATOM 71 O4' DT A 3 -11.952 -6.500 1.423 1.00 0.00 O ATOM 72 C3' DT A 3 -10.242 -6.121 -0.183 1.00 0.00 C ATOM 73 O3' DT A 3 -10.841 -5.910 -1.468 1.00 0.00 O ATOM 74 C2' DT A 3 -10.412 -4.897 0.697 1.00 0.00 C ATOM 75 C1' DT A 3 -11.818 -5.103 1.223 1.00 0.00 C ATOM 76 N1 DT A 3 -12.118 -4.430 2.501 1.00 0.00 N ATOM 77 C2 DT A 3 -13.298 -3.728 2.596 1.00 0.00 C ATOM 78 O2 DT A 3 -14.094 -3.636 1.676 1.00 0.00 O ATOM 79 N3 DT A 3 -13.516 -3.135 3.809 1.00 0.00 N ATOM 80 C4 DT A 3 -12.692 -3.169 4.913 1.00 0.00 C ATOM 81 O4 DT A 3 -13.025 -2.585 5.941 1.00 0.00 O ATOM 82 C5 DT A 3 -11.468 -3.920 4.747 1.00 0.00 C ATOM 83 C7 DT A 3 -10.513 -4.012 5.896 1.00 0.00 C ATOM 84 C6 DT A 3 -11.239 -4.508 3.563 1.00 0.00 C ATOM 0 H5' DT A 3 -10.750 -8.918 1.845 1.00 0.00 H new ATOM 0 H5'' DT A 3 -9.356 -8.549 0.849 1.00 0.00 H new ATOM 0 H4' DT A 3 -11.461 -7.875 -0.147 1.00 0.00 H new ATOM 0 H3' DT A 3 -9.197 -6.370 -0.369 1.00 0.00 H new ATOM 0 H2' DT A 3 -9.674 -4.861 1.499 1.00 0.00 H new ATOM 0 H2'' DT A 3 -10.316 -3.969 0.134 1.00 0.00 H new ATOM 0 H1' DT A 3 -12.509 -4.672 0.499 1.00 0.00 H new ATOM 0 H3 DT A 3 -14.385 -2.609 3.907 1.00 0.00 H new ATOM 0 H71 DT A 3 -9.972 -4.957 5.845 1.00 0.00 H new ATOM 0 H72 DT A 3 -9.804 -3.185 5.847 1.00 0.00 H new ATOM 0 H73 DT A 3 -11.066 -3.961 6.834 1.00 0.00 H new ATOM 0 H6 DT A 3 -10.325 -5.068 3.435 1.00 0.00 H new ATOM 97 P DT A 4 -10.099 -4.987 -2.558 1.00 0.00 P ATOM 98 OP1 DT A 4 -10.222 -3.576 -2.111 1.00 0.00 O ATOM 99 OP2 DT A 4 -10.597 -5.376 -3.902 1.00 0.00 O ATOM 100 O5' DT A 4 -8.567 -5.411 -2.448 1.00 0.00 O ATOM 101 C5' DT A 4 -8.092 -6.613 -3.056 1.00 0.00 C ATOM 102 C4' DT A 4 -7.357 -6.299 -4.340 1.00 0.00 C ATOM 103 O4' DT A 4 -7.330 -4.862 -4.551 1.00 0.00 O ATOM 104 C3' DT A 4 -5.892 -6.738 -4.352 1.00 0.00 C ATOM 105 O3' DT A 4 -5.488 -7.112 -5.675 1.00 0.00 O ATOM 106 C2' DT A 4 -5.170 -5.482 -3.908 1.00 0.00 C ATOM 107 C1' DT A 4 -5.981 -4.425 -4.630 1.00 0.00 C ATOM 108 N1 DT A 4 -5.892 -3.067 -4.053 1.00 0.00 N ATOM 109 C2 DT A 4 -5.326 -2.087 -4.837 1.00 0.00 C ATOM 110 O2 DT A 4 -4.927 -2.291 -5.971 1.00 0.00 O ATOM 111 N3 DT A 4 -5.245 -0.856 -4.246 1.00 0.00 N ATOM 112 C4 DT A 4 -5.658 -0.511 -2.979 1.00 0.00 C ATOM 113 O4 DT A 4 -5.499 0.639 -2.579 1.00 0.00 O ATOM 114 C5 DT A 4 -6.248 -1.582 -2.208 1.00 0.00 C ATOM 115 C7 DT A 4 -6.658 -1.312 -0.793 1.00 0.00 C ATOM 116 C6 DT A 4 -6.347 -2.794 -2.776 1.00 0.00 C ATOM 0 H5' DT A 4 -8.930 -7.279 -3.262 1.00 0.00 H new ATOM 0 H5'' DT A 4 -7.429 -7.138 -2.369 1.00 0.00 H new ATOM 0 H4' DT A 4 -7.900 -6.847 -5.110 1.00 0.00 H new ATOM 0 H3' DT A 4 -5.690 -7.604 -3.722 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.191 -5.353 -2.826 1.00 0.00 H new ATOM 0 H2'' DT A 4 -4.122 -5.478 -4.209 1.00 0.00 H new ATOM 0 H1' DT A 4 -5.592 -4.330 -5.644 1.00 0.00 H new ATOM 0 H3 DT A 4 -4.833 -0.110 -4.807 1.00 0.00 H new ATOM 0 H71 DT A 4 -7.505 -1.947 -0.532 1.00 0.00 H new ATOM 0 H72 DT A 4 -5.824 -1.527 -0.125 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.944 -0.265 -0.690 1.00 0.00 H new ATOM 0 H6 DT A 4 -6.803 -3.593 -2.210 1.00 0.00 H new ATOM 129 P DG A 5 -4.453 -8.327 -5.884 1.00 0.00 P ATOM 130 OP1 DG A 5 -4.956 -9.128 -7.029 1.00 0.00 O ATOM 131 OP2 DG A 5 -4.211 -8.991 -4.577 1.00 0.00 O ATOM 132 O5' DG A 5 -3.104 -7.613 -6.345 1.00 0.00 O ATOM 133 C5' DG A 5 -2.217 -7.020 -5.392 1.00 0.00 C ATOM 134 C4' DG A 5 -0.784 -7.186 -5.840 1.00 0.00 C ATOM 135 O4' DG A 5 -0.152 -5.882 -5.866 1.00 0.00 O ATOM 136 C3' DG A 5 0.084 -8.051 -4.926 1.00 0.00 C ATOM 137 O3' DG A 5 1.056 -8.771 -5.694 1.00 0.00 O ATOM 138 C2' DG A 5 0.753 -7.035 -4.019 1.00 0.00 C ATOM 139 C1' DG A 5 0.906 -5.821 -4.919 1.00 0.00 C ATOM 140 N9 DG A 5 0.809 -4.543 -4.221 1.00 0.00 N ATOM 141 C8 DG A 5 1.285 -3.325 -4.641 1.00 0.00 C ATOM 142 N7 DG A 5 1.036 -2.357 -3.802 1.00 0.00 N ATOM 143 C5 DG A 5 0.358 -2.977 -2.760 1.00 0.00 C ATOM 144 C6 DG A 5 -0.173 -2.441 -1.558 1.00 0.00 C ATOM 145 O6 DG A 5 -0.139 -1.272 -1.150 1.00 0.00 O ATOM 146 N1 DG A 5 -0.792 -3.424 -0.792 1.00 0.00 N ATOM 147 C2 DG A 5 -0.866 -4.752 -1.121 1.00 0.00 C ATOM 148 N2 DG A 5 -1.467 -5.549 -0.233 1.00 0.00 N ATOM 149 N3 DG A 5 -0.380 -5.263 -2.235 1.00 0.00 N ATOM 150 C4 DG A 5 0.213 -4.326 -3.004 1.00 0.00 C ATOM 0 H5' DG A 5 -2.357 -7.485 -4.416 1.00 0.00 H new ATOM 0 H5'' DG A 5 -2.450 -5.961 -5.277 1.00 0.00 H new ATOM 0 H4' DG A 5 -0.845 -7.678 -6.811 1.00 0.00 H new ATOM 0 H3' DG A 5 -0.482 -8.803 -4.376 1.00 0.00 H new ATOM 0 H2' DG A 5 0.144 -6.813 -3.143 1.00 0.00 H new ATOM 0 H2'' DG A 5 1.717 -7.392 -3.655 1.00 0.00 H new ATOM 0 H1' DG A 5 1.902 -5.858 -5.361 1.00 0.00 H new ATOM 0 H8 DG A 5 1.813 -3.183 -5.573 1.00 0.00 H new ATOM 0 H1 DG A 5 -1.225 -3.133 0.084 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.553 -6.548 -0.421 1.00 0.00 H new ATOM 0 H22 DG A 5 -1.839 -5.159 0.633 1.00 0.00 H new ATOM 162 P DG A 6 2.248 -9.552 -4.946 1.00 0.00 P ATOM 163 OP1 DG A 6 2.767 -10.574 -5.887 1.00 0.00 O ATOM 164 OP2 DG A 6 1.772 -9.968 -3.601 1.00 0.00 O ATOM 165 O5' DG A 6 3.373 -8.440 -4.758 1.00 0.00 O ATOM 166 C5' DG A 6 3.839 -7.675 -5.870 1.00 0.00 C ATOM 167 C4' DG A 6 4.859 -6.659 -5.412 1.00 0.00 C ATOM 168 O4' DG A 6 4.259 -5.818 -4.397 1.00 0.00 O ATOM 169 C3' DG A 6 6.116 -7.265 -4.765 1.00 0.00 C ATOM 170 O3' DG A 6 7.344 -6.643 -5.201 1.00 0.00 O ATOM 171 C2' DG A 6 5.927 -6.973 -3.285 1.00 0.00 C ATOM 172 C1' DG A 6 5.205 -5.646 -3.368 1.00 0.00 C ATOM 173 N9 DG A 6 4.498 -5.207 -2.167 1.00 0.00 N ATOM 174 C8 DG A 6 3.867 -5.975 -1.216 1.00 0.00 C ATOM 175 N7 DG A 6 3.373 -5.271 -0.233 1.00 0.00 N ATOM 176 C5 DG A 6 3.676 -3.958 -0.569 1.00 0.00 C ATOM 177 C6 DG A 6 3.396 -2.740 0.108 1.00 0.00 C ATOM 178 O6 DG A 6 2.770 -2.558 1.164 1.00 0.00 O ATOM 179 N1 DG A 6 3.907 -1.650 -0.580 1.00 0.00 N ATOM 180 C2 DG A 6 4.547 -1.707 -1.791 1.00 0.00 C ATOM 181 N2 DG A 6 4.884 -0.538 -2.340 1.00 0.00 N ATOM 182 N3 DG A 6 4.818 -2.826 -2.429 1.00 0.00 N ATOM 183 C4 DG A 6 4.361 -3.906 -1.764 1.00 0.00 C ATOM 0 H5' DG A 6 3.001 -7.169 -6.350 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.282 -8.336 -6.615 1.00 0.00 H new ATOM 0 H4' DG A 6 5.159 -6.124 -6.313 1.00 0.00 H new ATOM 0 H3' DG A 6 6.210 -8.319 -5.025 1.00 0.00 H new ATOM 0 H2' DG A 6 5.336 -7.738 -2.782 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.874 -6.899 -2.751 1.00 0.00 H new ATOM 0 H1' DG A 6 5.956 -4.873 -3.530 1.00 0.00 H new ATOM 0 H8 DG A 6 3.788 -7.050 -1.276 1.00 0.00 H new ATOM 0 H1 DG A 6 3.798 -0.731 -0.150 1.00 0.00 H new ATOM 0 H21 DG A 6 5.362 -0.517 -3.241 1.00 0.00 H new ATOM 0 H22 DG A 6 4.663 0.334 -1.859 1.00 0.00 H new ATOM 195 P DT A 7 7.360 -5.642 -6.464 1.00 0.00 P ATOM 196 OP1 DT A 7 6.757 -6.338 -7.630 1.00 0.00 O ATOM 197 OP2 DT A 7 8.746 -5.120 -6.567 1.00 0.00 O ATOM 198 O5' DT A 7 6.392 -4.450 -6.027 1.00 0.00 O ATOM 199 C5' DT A 7 6.741 -3.089 -6.285 1.00 0.00 C ATOM 200 C4' DT A 7 7.751 -2.612 -5.266 1.00 0.00 C ATOM 201 O4' DT A 7 9.071 -2.719 -5.847 1.00 0.00 O ATOM 202 C3' DT A 7 7.600 -1.158 -4.802 1.00 0.00 C ATOM 203 O3' DT A 7 7.522 -1.112 -3.370 1.00 0.00 O ATOM 204 C2' DT A 7 8.862 -0.466 -5.301 1.00 0.00 C ATOM 205 C1' DT A 7 9.848 -1.599 -5.486 1.00 0.00 C ATOM 206 N1 DT A 7 10.864 -1.404 -6.543 1.00 0.00 N ATOM 207 C2 DT A 7 12.105 -1.970 -6.352 1.00 0.00 C ATOM 208 O2 DT A 7 12.413 -2.575 -5.340 1.00 0.00 O ATOM 209 N3 DT A 7 12.977 -1.798 -7.393 1.00 0.00 N ATOM 210 C4 DT A 7 12.739 -1.140 -8.580 1.00 0.00 C ATOM 211 O4 DT A 7 13.622 -1.076 -9.431 1.00 0.00 O ATOM 212 C5 DT A 7 11.419 -0.564 -8.712 1.00 0.00 C ATOM 213 C7 DT A 7 11.001 0.005 -10.030 1.00 0.00 C ATOM 214 C6 DT A 7 10.566 -0.698 -7.692 1.00 0.00 C ATOM 0 H5' DT A 7 5.850 -2.463 -6.246 1.00 0.00 H new ATOM 0 H5'' DT A 7 7.153 -2.995 -7.290 1.00 0.00 H new ATOM 0 H4' DT A 7 7.586 -3.243 -4.393 1.00 0.00 H new ATOM 0 H3' DT A 7 6.697 -0.680 -5.183 1.00 0.00 H new ATOM 0 H2' DT A 7 8.684 0.065 -6.236 1.00 0.00 H new ATOM 0 H2'' DT A 7 9.226 0.268 -4.582 1.00 0.00 H new ATOM 0 H1' DT A 7 10.412 -1.693 -4.558 1.00 0.00 H new ATOM 0 H3 DT A 7 13.906 -2.202 -7.277 1.00 0.00 H new ATOM 0 H71 DT A 7 9.922 -0.098 -10.145 1.00 0.00 H new ATOM 0 H72 DT A 7 11.272 1.060 -10.073 1.00 0.00 H new ATOM 0 H73 DT A 7 11.504 -0.532 -10.834 1.00 0.00 H new ATOM 0 H6 DT A 7 9.595 -0.231 -7.770 1.00 0.00 H new ATOM 227 P DG A 8 7.873 0.252 -2.587 1.00 0.00 P ATOM 228 OP1 DG A 8 7.476 1.402 -3.438 1.00 0.00 O ATOM 229 OP2 DG A 8 9.276 0.138 -2.113 1.00 0.00 O ATOM 230 O5' DG A 8 6.914 0.225 -1.316 1.00 0.00 O ATOM 231 C5' DG A 8 7.290 0.848 -0.090 1.00 0.00 C ATOM 232 C4' DG A 8 7.483 -0.194 0.986 1.00 0.00 C ATOM 233 O4' DG A 8 6.834 -1.426 0.587 1.00 0.00 O ATOM 234 C3' DG A 8 8.948 -0.560 1.259 1.00 0.00 C ATOM 235 O3' DG A 8 9.300 -0.242 2.610 1.00 0.00 O ATOM 236 C2' DG A 8 9.014 -2.063 1.039 1.00 0.00 C ATOM 237 C1' DG A 8 7.560 -2.477 1.173 1.00 0.00 C ATOM 238 N9 DG A 8 7.245 -3.717 0.471 1.00 0.00 N ATOM 239 C8 DG A 8 7.499 -4.001 -0.849 1.00 0.00 C ATOM 240 N7 DG A 8 7.163 -5.215 -1.189 1.00 0.00 N ATOM 241 C5 DG A 8 6.641 -5.764 -0.025 1.00 0.00 C ATOM 242 C6 DG A 8 6.112 -7.058 0.226 1.00 0.00 C ATOM 243 O6 DG A 8 6.005 -8.013 -0.552 1.00 0.00 O ATOM 244 N1 DG A 8 5.686 -7.190 1.542 1.00 0.00 N ATOM 245 C2 DG A 8 5.757 -6.207 2.495 1.00 0.00 C ATOM 246 N2 DG A 8 5.282 -6.524 3.705 1.00 0.00 N ATOM 247 N3 DG A 8 6.254 -5.000 2.280 1.00 0.00 N ATOM 248 C4 DG A 8 6.673 -4.848 1.006 1.00 0.00 C ATOM 0 H5' DG A 8 6.522 1.559 0.216 1.00 0.00 H new ATOM 0 H5'' DG A 8 8.211 1.413 -0.228 1.00 0.00 H new ATOM 0 H4' DG A 8 7.061 0.250 1.888 1.00 0.00 H new ATOM 0 H3' DG A 8 9.637 -0.013 0.616 1.00 0.00 H new ATOM 0 H2' DG A 8 9.419 -2.312 0.058 1.00 0.00 H new ATOM 0 H2'' DG A 8 9.646 -2.554 1.779 1.00 0.00 H new ATOM 0 H1' DG A 8 7.320 -2.659 2.221 1.00 0.00 H new ATOM 0 H8 DG A 8 7.933 -3.290 -1.537 1.00 0.00 H new ATOM 0 H1 DG A 8 5.290 -8.088 1.821 1.00 0.00 H new ATOM 0 H21 DG A 8 5.306 -5.837 4.458 1.00 0.00 H new ATOM 0 H22 DG A 8 4.896 -7.453 3.874 1.00 0.00 H new ATOM 260 P DT A 9 9.375 1.295 3.077 1.00 0.00 P ATOM 261 OP1 DT A 9 9.968 2.077 1.962 1.00 0.00 O ATOM 262 OP2 DT A 9 10.009 1.333 4.419 1.00 0.00 O ATOM 263 O5' DT A 9 7.847 1.722 3.235 1.00 0.00 O ATOM 264 C5' DT A 9 7.450 3.090 3.117 1.00 0.00 C ATOM 265 C4' DT A 9 6.979 3.619 4.451 1.00 0.00 C ATOM 266 O4' DT A 9 6.002 2.723 5.018 1.00 0.00 O ATOM 267 C3' DT A 9 8.077 3.757 5.518 1.00 0.00 C ATOM 268 O3' DT A 9 8.301 5.128 5.927 1.00 0.00 O ATOM 269 C2' DT A 9 7.545 2.950 6.701 1.00 0.00 C ATOM 270 C1' DT A 9 6.063 2.911 6.408 1.00 0.00 C ATOM 271 N1 DT A 9 5.243 1.852 7.041 1.00 0.00 N ATOM 272 C2 DT A 9 4.106 2.280 7.689 1.00 0.00 C ATOM 273 O2 DT A 9 3.823 3.458 7.826 1.00 0.00 O ATOM 274 N3 DT A 9 3.310 1.282 8.172 1.00 0.00 N ATOM 275 C4 DT A 9 3.520 -0.073 8.070 1.00 0.00 C ATOM 276 O4 DT A 9 2.704 -0.852 8.555 1.00 0.00 O ATOM 277 C5 DT A 9 4.735 -0.466 7.389 1.00 0.00 C ATOM 278 C7 DT A 9 4.858 -1.889 6.941 1.00 0.00 C ATOM 279 C6 DT A 9 5.561 0.506 6.956 1.00 0.00 C ATOM 0 H5' DT A 9 6.652 3.181 2.380 1.00 0.00 H new ATOM 0 H5'' DT A 9 8.287 3.688 2.756 1.00 0.00 H new ATOM 0 H4' DT A 9 6.587 4.610 4.222 1.00 0.00 H new ATOM 0 H3' DT A 9 9.036 3.410 5.135 1.00 0.00 H new ATOM 0 H2' DT A 9 7.980 1.951 6.743 1.00 0.00 H new ATOM 0 H2'' DT A 9 7.761 3.432 7.655 1.00 0.00 H new ATOM 0 H1' DT A 9 5.636 3.826 6.818 1.00 0.00 H new ATOM 0 H3 DT A 9 2.465 1.574 8.663 1.00 0.00 H new ATOM 0 H71 DT A 9 5.482 -1.937 6.048 1.00 0.00 H new ATOM 0 H72 DT A 9 5.313 -2.482 7.734 1.00 0.00 H new ATOM 0 H73 DT A 9 3.869 -2.286 6.714 1.00 0.00 H new ATOM 0 H6 DT A 9 6.510 0.225 6.525 1.00 0.00 H new ATOM 292 P DG A 10 7.690 6.369 5.085 1.00 0.00 P ATOM 293 OP1 DG A 10 8.544 7.545 5.387 1.00 0.00 O ATOM 294 OP2 DG A 10 6.230 6.435 5.357 1.00 0.00 O ATOM 295 O5' DG A 10 7.907 5.997 3.545 1.00 0.00 O ATOM 296 C5' DG A 10 6.819 6.042 2.606 1.00 0.00 C ATOM 297 C4' DG A 10 7.288 6.553 1.265 1.00 0.00 C ATOM 298 O4' DG A 10 7.302 5.441 0.343 1.00 0.00 O ATOM 299 C3' DG A 10 6.356 7.583 0.632 1.00 0.00 C ATOM 300 O3' DG A 10 7.061 8.456 -0.279 1.00 0.00 O ATOM 301 C2' DG A 10 5.338 6.707 -0.074 1.00 0.00 C ATOM 302 C1' DG A 10 6.167 5.505 -0.512 1.00 0.00 C ATOM 303 N9 DG A 10 5.476 4.224 -0.433 1.00 0.00 N ATOM 304 C8 DG A 10 5.471 3.247 -1.391 1.00 0.00 C ATOM 305 N7 DG A 10 4.780 2.193 -1.055 1.00 0.00 N ATOM 306 C5 DG A 10 4.294 2.497 0.210 1.00 0.00 C ATOM 307 C6 DG A 10 3.482 1.740 1.088 1.00 0.00 C ATOM 308 O6 DG A 10 2.987 0.626 0.920 1.00 0.00 O ATOM 309 N1 DG A 10 3.246 2.413 2.271 1.00 0.00 N ATOM 310 C2 DG A 10 3.698 3.675 2.569 1.00 0.00 C ATOM 311 N2 DG A 10 3.338 4.169 3.757 1.00 0.00 N ATOM 312 N3 DG A 10 4.449 4.400 1.759 1.00 0.00 N ATOM 313 C4 DG A 10 4.712 3.750 0.606 1.00 0.00 C ATOM 0 H5' DG A 10 6.028 6.687 2.990 1.00 0.00 H new ATOM 0 H5'' DG A 10 6.391 5.046 2.491 1.00 0.00 H new ATOM 0 H4' DG A 10 8.260 7.015 1.441 1.00 0.00 H new ATOM 0 H3' DG A 10 5.905 8.267 1.351 1.00 0.00 H new ATOM 0 H2' DG A 10 4.525 6.416 0.591 1.00 0.00 H new ATOM 0 H2'' DG A 10 4.887 7.218 -0.925 1.00 0.00 H new ATOM 0 H1' DG A 10 6.412 5.656 -1.563 1.00 0.00 H new ATOM 0 H8 DG A 10 5.989 3.340 -2.334 1.00 0.00 H new ATOM 0 H1 DG A 10 2.691 1.934 2.980 1.00 0.00 H new ATOM 0 H21 DG A 10 3.643 5.102 4.035 1.00 0.00 H new ATOM 0 H22 DG A 10 2.758 3.613 4.386 1.00 0.00 H new ATOM 325 P DG A 11 7.684 7.888 -1.657 1.00 0.00 P ATOM 326 OP1 DG A 11 8.657 6.819 -1.316 1.00 0.00 O ATOM 327 OP2 DG A 11 8.140 9.057 -2.451 1.00 0.00 O ATOM 328 O5' DG A 11 6.452 7.225 -2.425 1.00 0.00 O ATOM 329 C5' DG A 11 5.475 8.028 -3.092 1.00 0.00 C ATOM 330 C4' DG A 11 4.640 7.179 -4.024 1.00 0.00 C ATOM 331 O4' DG A 11 4.200 5.979 -3.344 1.00 0.00 O ATOM 332 C3' DG A 11 3.367 7.867 -4.526 1.00 0.00 C ATOM 333 O3' DG A 11 3.473 8.147 -5.925 1.00 0.00 O ATOM 334 C2' DG A 11 2.250 6.863 -4.275 1.00 0.00 C ATOM 335 C1' DG A 11 2.959 5.582 -3.891 1.00 0.00 C ATOM 336 N9 DG A 11 2.250 4.791 -2.888 1.00 0.00 N ATOM 337 C8 DG A 11 1.751 5.253 -1.696 1.00 0.00 C ATOM 338 N7 DG A 11 1.145 4.334 -0.998 1.00 0.00 N ATOM 339 C5 DG A 11 1.254 3.186 -1.771 1.00 0.00 C ATOM 340 C6 DG A 11 0.783 1.870 -1.527 1.00 0.00 C ATOM 341 O6 DG A 11 0.177 1.437 -0.538 1.00 0.00 O ATOM 342 N1 DG A 11 1.085 1.015 -2.578 1.00 0.00 N ATOM 343 C2 DG A 11 1.786 1.369 -3.706 1.00 0.00 C ATOM 344 N2 DG A 11 2.007 0.391 -4.594 1.00 0.00 N ATOM 345 N3 DG A 11 2.240 2.593 -3.944 1.00 0.00 N ATOM 346 C4 DG A 11 1.935 3.447 -2.943 1.00 0.00 C ATOM 0 H5' DG A 11 5.969 8.819 -3.656 1.00 0.00 H new ATOM 0 H5'' DG A 11 4.832 8.513 -2.358 1.00 0.00 H new ATOM 0 H4' DG A 11 5.293 6.975 -4.873 1.00 0.00 H new ATOM 0 H3' DG A 11 3.188 8.816 -4.021 1.00 0.00 H new ATOM 0 H2' DG A 11 1.586 7.201 -3.479 1.00 0.00 H new ATOM 0 H2'' DG A 11 1.636 6.724 -5.165 1.00 0.00 H new ATOM 0 H1' DG A 11 3.040 4.950 -4.775 1.00 0.00 H new ATOM 0 H8 DG A 11 1.851 6.277 -1.368 1.00 0.00 H new ATOM 0 H1 DG A 11 0.762 0.050 -2.508 1.00 0.00 H new ATOM 0 H21 DG A 11 2.521 0.588 -5.452 1.00 0.00 H new ATOM 0 H22 DG A 11 1.661 -0.551 -4.412 1.00 0.00 H new ATOM 358 P DT A 12 2.950 9.556 -6.497 1.00 0.00 P ATOM 359 OP1 DT A 12 2.241 9.304 -7.779 1.00 0.00 O ATOM 360 OP2 DT A 12 4.098 10.496 -6.467 1.00 0.00 O ATOM 361 O5' DT A 12 1.888 10.043 -5.412 1.00 0.00 O ATOM 362 C5' DT A 12 0.574 10.452 -5.797 1.00 0.00 C ATOM 363 C4' DT A 12 -0.360 10.397 -4.611 1.00 0.00 C ATOM 364 O4' DT A 12 -1.706 10.179 -5.093 1.00 0.00 O ATOM 365 C3' DT A 12 -0.103 9.259 -3.628 1.00 0.00 C ATOM 366 O3' DT A 12 -0.580 9.611 -2.322 1.00 0.00 O ATOM 367 C2' DT A 12 -0.920 8.127 -4.216 1.00 0.00 C ATOM 368 C1' DT A 12 -2.135 8.861 -4.769 1.00 0.00 C ATOM 369 N1 DT A 12 -2.718 8.267 -5.987 1.00 0.00 N ATOM 370 C2 DT A 12 -4.083 8.343 -6.147 1.00 0.00 C ATOM 371 O2 DT A 12 -4.823 8.859 -5.327 1.00 0.00 O ATOM 372 N3 DT A 12 -4.554 7.790 -7.307 1.00 0.00 N ATOM 373 C4 DT A 12 -3.817 7.182 -8.299 1.00 0.00 C ATOM 374 O4 DT A 12 -4.385 6.732 -9.291 1.00 0.00 O ATOM 375 C5 DT A 12 -2.391 7.132 -8.067 1.00 0.00 C ATOM 376 C7 DT A 12 -1.509 6.522 -9.109 1.00 0.00 C ATOM 377 C6 DT A 12 -1.913 7.664 -6.933 1.00 0.00 C ATOM 0 H5' DT A 12 0.202 9.805 -6.592 1.00 0.00 H new ATOM 0 H5'' DT A 12 0.604 11.465 -6.198 1.00 0.00 H new ATOM 0 H4' DT A 12 -0.202 11.342 -4.091 1.00 0.00 H new ATOM 0 H3' DT A 12 0.951 9.012 -3.504 1.00 0.00 H new ATOM 0 H2' DT A 12 -0.376 7.595 -4.996 1.00 0.00 H new ATOM 0 H2'' DT A 12 -1.198 7.391 -3.462 1.00 0.00 H new ATOM 0 H1' DT A 12 -2.912 8.815 -4.006 1.00 0.00 H new ATOM 0 H3 DT A 12 -5.563 7.833 -7.453 1.00 0.00 H new ATOM 0 H71 DT A 12 -0.529 6.998 -9.081 1.00 0.00 H new ATOM 0 H72 DT A 12 -1.400 5.455 -8.914 1.00 0.00 H new ATOM 0 H73 DT A 12 -1.955 6.667 -10.093 1.00 0.00 H new ATOM 0 H6 DT A 12 -0.849 7.619 -6.751 1.00 0.00 H new ATOM 390 P DT A 13 -0.309 8.627 -1.081 1.00 0.00 P ATOM 391 OP1 DT A 13 -1.405 8.834 -0.100 1.00 0.00 O ATOM 392 OP2 DT A 13 1.102 8.802 -0.653 1.00 0.00 O ATOM 393 O5' DT A 13 -0.458 7.169 -1.708 1.00 0.00 O ATOM 394 C5' DT A 13 -1.411 6.237 -1.194 1.00 0.00 C ATOM 395 C4' DT A 13 -2.750 6.437 -1.864 1.00 0.00 C ATOM 396 O4' DT A 13 -2.725 5.803 -3.167 1.00 0.00 O ATOM 397 C3' DT A 13 -3.936 5.821 -1.113 1.00 0.00 C ATOM 398 O3' DT A 13 -5.017 6.756 -1.038 1.00 0.00 O ATOM 399 C2' DT A 13 -4.328 4.627 -1.965 1.00 0.00 C ATOM 400 C1' DT A 13 -3.932 5.096 -3.350 1.00 0.00 C ATOM 401 N1 DT A 13 -3.696 4.017 -4.329 1.00 0.00 N ATOM 402 C2 DT A 13 -4.500 3.979 -5.446 1.00 0.00 C ATOM 403 O2 DT A 13 -5.372 4.802 -5.670 1.00 0.00 O ATOM 404 N3 DT A 13 -4.244 2.939 -6.298 1.00 0.00 N ATOM 405 C4 DT A 13 -3.288 1.958 -6.153 1.00 0.00 C ATOM 406 O4 DT A 13 -3.196 1.069 -6.993 1.00 0.00 O ATOM 407 C5 DT A 13 -2.471 2.064 -4.966 1.00 0.00 C ATOM 408 C7 DT A 13 -1.410 1.037 -4.723 1.00 0.00 C ATOM 409 C6 DT A 13 -2.707 3.077 -4.121 1.00 0.00 C ATOM 0 H5' DT A 13 -1.512 6.366 -0.116 1.00 0.00 H new ATOM 0 H5'' DT A 13 -1.061 5.218 -1.361 1.00 0.00 H new ATOM 0 H4' DT A 13 -2.894 7.517 -1.902 1.00 0.00 H new ATOM 0 H3' DT A 13 -3.690 5.545 -0.088 1.00 0.00 H new ATOM 0 H2' DT A 13 -3.796 3.722 -1.671 1.00 0.00 H new ATOM 0 H2'' DT A 13 -5.393 4.407 -1.896 1.00 0.00 H new ATOM 0 H1' DT A 13 -4.752 5.683 -3.764 1.00 0.00 H new ATOM 0 H3 DT A 13 -4.826 2.884 -7.134 1.00 0.00 H new ATOM 0 H71 DT A 13 -1.716 0.087 -5.161 1.00 0.00 H new ATOM 0 H72 DT A 13 -0.476 1.363 -5.180 1.00 0.00 H new ATOM 0 H73 DT A 13 -1.264 0.912 -3.650 1.00 0.00 H new ATOM 0 H6 DT A 13 -2.094 3.162 -3.236 1.00 0.00 H new ATOM 422 P DG A 14 -5.116 7.766 0.210 1.00 0.00 P ATOM 423 OP1 DG A 14 -6.557 7.938 0.522 1.00 0.00 O ATOM 424 OP2 DG A 14 -4.285 8.959 -0.095 1.00 0.00 O ATOM 425 O5' DG A 14 -4.447 6.964 1.416 1.00 0.00 O ATOM 426 C5' DG A 14 -3.547 7.604 2.327 1.00 0.00 C ATOM 427 C4' DG A 14 -4.118 7.586 3.727 1.00 0.00 C ATOM 428 O4' DG A 14 -4.699 6.287 3.989 1.00 0.00 O ATOM 429 C3' DG A 14 -3.098 7.809 4.841 1.00 0.00 C ATOM 430 O3' DG A 14 -3.709 8.472 5.953 1.00 0.00 O ATOM 431 C2' DG A 14 -2.678 6.399 5.216 1.00 0.00 C ATOM 432 C1' DG A 14 -3.906 5.560 4.920 1.00 0.00 C ATOM 433 N9 DG A 14 -3.603 4.264 4.328 1.00 0.00 N ATOM 434 C8 DG A 14 -4.186 3.060 4.626 1.00 0.00 C ATOM 435 N7 DG A 14 -3.734 2.075 3.897 1.00 0.00 N ATOM 436 C5 DG A 14 -2.773 2.665 3.087 1.00 0.00 C ATOM 437 C6 DG A 14 -1.927 2.102 2.091 1.00 0.00 C ATOM 438 O6 DG A 14 -1.826 0.917 1.733 1.00 0.00 O ATOM 439 N1 DG A 14 -1.127 3.073 1.499 1.00 0.00 N ATOM 440 C2 DG A 14 -1.095 4.396 1.858 1.00 0.00 C ATOM 441 N2 DG A 14 -0.209 5.162 1.220 1.00 0.00 N ATOM 442 N3 DG A 14 -1.867 4.929 2.782 1.00 0.00 N ATOM 443 C4 DG A 14 -2.679 4.016 3.347 1.00 0.00 C ATOM 0 H5' DG A 14 -3.370 8.632 2.012 1.00 0.00 H new ATOM 0 H5'' DG A 14 -2.583 7.096 2.314 1.00 0.00 H new ATOM 0 H4' DG A 14 -4.834 8.408 3.744 1.00 0.00 H new ATOM 0 H3' DG A 14 -2.259 8.436 4.539 1.00 0.00 H new ATOM 0 H2' DG A 14 -1.819 6.070 4.631 1.00 0.00 H new ATOM 0 H2'' DG A 14 -2.393 6.333 6.266 1.00 0.00 H new ATOM 0 H1' DG A 14 -4.410 5.369 5.867 1.00 0.00 H new ATOM 0 H8 DG A 14 -4.943 2.938 5.387 1.00 0.00 H new ATOM 0 H1 DG A 14 -0.516 2.778 0.738 1.00 0.00 H new ATOM 0 H21 DG A 14 -0.138 6.155 1.444 1.00 0.00 H new ATOM 0 H22 DG A 14 0.398 4.755 0.508 1.00 0.00 H new ATOM 455 P DG A 15 -2.823 8.852 7.240 1.00 0.00 P ATOM 456 OP1 DG A 15 -3.555 9.889 8.010 1.00 0.00 O ATOM 457 OP2 DG A 15 -1.440 9.128 6.771 1.00 0.00 O ATOM 458 O5' DG A 15 -2.806 7.512 8.104 1.00 0.00 O ATOM 459 C5' DG A 15 -1.575 6.901 8.497 1.00 0.00 C ATOM 460 C4' DG A 15 -1.827 5.497 8.992 1.00 0.00 C ATOM 461 O4' DG A 15 -1.532 4.568 7.921 1.00 0.00 O ATOM 462 C3' DG A 15 -0.961 5.065 10.180 1.00 0.00 C ATOM 463 O3' DG A 15 -1.745 4.356 11.143 1.00 0.00 O ATOM 464 C2' DG A 15 0.072 4.140 9.557 1.00 0.00 C ATOM 465 C1' DG A 15 -0.707 3.531 8.411 1.00 0.00 C ATOM 466 N9 DG A 15 0.093 3.035 7.295 1.00 0.00 N ATOM 467 C8 DG A 15 1.069 3.708 6.601 1.00 0.00 C ATOM 468 N7 DG A 15 1.594 3.002 5.637 1.00 0.00 N ATOM 469 C5 DG A 15 0.920 1.789 5.696 1.00 0.00 C ATOM 470 C6 DG A 15 1.046 0.624 4.895 1.00 0.00 C ATOM 471 O6 DG A 15 1.784 0.431 3.917 1.00 0.00 O ATOM 472 N1 DG A 15 0.187 -0.382 5.321 1.00 0.00 N ATOM 473 C2 DG A 15 -0.699 -0.276 6.362 1.00 0.00 C ATOM 474 N2 DG A 15 -1.450 -1.354 6.612 1.00 0.00 N ATOM 475 N3 DG A 15 -0.840 0.807 7.104 1.00 0.00 N ATOM 476 C4 DG A 15 -0.002 1.792 6.722 1.00 0.00 C ATOM 0 H5' DG A 15 -1.101 7.492 9.281 1.00 0.00 H new ATOM 0 H5'' DG A 15 -0.885 6.879 7.653 1.00 0.00 H new ATOM 0 H4' DG A 15 -2.867 5.490 9.317 1.00 0.00 H new ATOM 0 H3' DG A 15 -0.515 5.910 10.706 1.00 0.00 H new ATOM 0 H2' DG A 15 0.951 4.683 9.210 1.00 0.00 H new ATOM 0 H2'' DG A 15 0.421 3.385 10.261 1.00 0.00 H new ATOM 0 HO3' DG A 15 -1.176 4.086 11.894 1.00 0.00 H new ATOM 0 H1' DG A 15 -1.232 2.658 8.799 1.00 0.00 H new ATOM 0 H8 DG A 15 1.371 4.719 6.830 1.00 0.00 H new ATOM 0 H1 DG A 15 0.218 -1.270 4.819 1.00 0.00 H new ATOM 0 H21 DG A 15 -2.128 -1.338 7.374 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.345 -2.193 6.041 1.00 0.00 H new TER 489 DG A 15