USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 126 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 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= 0 (180deg=-0.00391) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.209) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -1.649 9.277 -4.911 1.00 0.00 O ATOM 2 C5' DG A 1 -1.798 9.007 -6.308 1.00 0.00 C ATOM 3 C4' DG A 1 -2.676 7.776 -6.613 1.00 0.00 C ATOM 4 O4' DG A 1 -2.055 6.584 -6.138 1.00 0.00 O ATOM 5 C3' DG A 1 -4.081 7.865 -5.992 1.00 0.00 C ATOM 6 O3' DG A 1 -5.046 7.432 -6.954 1.00 0.00 O ATOM 7 C2' DG A 1 -3.959 6.948 -4.774 1.00 0.00 C ATOM 8 C1' DG A 1 -2.926 5.916 -5.233 1.00 0.00 C ATOM 9 N9 DG A 1 -2.151 5.374 -4.094 1.00 0.00 N ATOM 10 C8 DG A 1 -1.153 6.001 -3.389 1.00 0.00 C ATOM 11 N7 DG A 1 -0.647 5.288 -2.417 1.00 0.00 N ATOM 12 C5 DG A 1 -1.386 4.099 -2.474 1.00 0.00 C ATOM 13 C6 DG A 1 -1.328 2.913 -1.658 1.00 0.00 C ATOM 14 O6 DG A 1 -0.589 2.628 -0.716 1.00 0.00 O ATOM 15 N1 DG A 1 -2.252 1.968 -2.012 1.00 0.00 N ATOM 16 C2 DG A 1 -3.096 2.075 -3.057 1.00 0.00 C ATOM 17 N2 DG A 1 -3.840 1.019 -3.255 1.00 0.00 N ATOM 18 N3 DG A 1 -3.184 3.139 -3.862 1.00 0.00 N ATOM 19 C4 DG A 1 -2.304 4.134 -3.507 1.00 0.00 C ATOM 0 H5' DG A 1 -0.812 8.856 -6.747 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.232 9.881 -6.793 1.00 0.00 H new ATOM 0 H4' DG A 1 -2.782 7.753 -7.698 1.00 0.00 H new ATOM 0 H3' DG A 1 -4.411 8.862 -5.701 1.00 0.00 H new ATOM 0 H2' DG A 1 -3.624 7.491 -3.890 1.00 0.00 H new ATOM 0 H2'' DG A 1 -4.911 6.483 -4.520 1.00 0.00 H new ATOM 0 HO5' DG A 1 -1.081 10.066 -4.789 1.00 0.00 H new ATOM 0 H1' DG A 1 -3.427 5.070 -5.704 1.00 0.00 H new ATOM 0 H8 DG A 1 -0.814 7.000 -3.619 1.00 0.00 H new ATOM 0 H1 DG A 1 -2.306 1.122 -1.444 1.00 0.00 H new ATOM 0 H21 DG A 1 -4.511 1.005 -4.023 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.750 0.209 -2.641 1.00 0.00 H new ATOM 32 P DT A 2 -6.641 7.565 -6.719 1.00 0.00 P ATOM 33 OP1 DT A 2 -7.273 7.677 -8.066 1.00 0.00 O ATOM 34 OP2 DT A 2 -6.912 8.632 -5.718 1.00 0.00 O ATOM 35 O5' DT A 2 -7.033 6.131 -6.079 1.00 0.00 O ATOM 36 C5' DT A 2 -8.369 5.639 -6.105 1.00 0.00 C ATOM 37 C4' DT A 2 -8.487 4.178 -5.623 1.00 0.00 C ATOM 38 O4' DT A 2 -7.742 3.315 -6.485 1.00 0.00 O ATOM 39 C3' DT A 2 -7.978 3.965 -4.187 1.00 0.00 C ATOM 40 O3' DT A 2 -8.847 3.059 -3.512 1.00 0.00 O ATOM 41 C2' DT A 2 -6.602 3.347 -4.413 1.00 0.00 C ATOM 42 C1' DT A 2 -6.812 2.573 -5.711 1.00 0.00 C ATOM 43 N1 DT A 2 -5.535 2.374 -6.452 1.00 0.00 N ATOM 44 C2 DT A 2 -4.911 1.126 -6.356 1.00 0.00 C ATOM 45 O2 DT A 2 -5.326 0.208 -5.645 1.00 0.00 O ATOM 46 N3 DT A 2 -3.748 0.951 -7.068 1.00 0.00 N ATOM 47 C4 DT A 2 -3.128 1.910 -7.837 1.00 0.00 C ATOM 48 O4 DT A 2 -2.099 1.597 -8.438 1.00 0.00 O ATOM 49 C5 DT A 2 -3.799 3.214 -7.854 1.00 0.00 C ATOM 50 C7 DT A 2 -3.206 4.364 -8.646 1.00 0.00 C ATOM 51 C6 DT A 2 -4.962 3.401 -7.172 1.00 0.00 C ATOM 0 H5' DT A 2 -8.757 5.712 -7.121 1.00 0.00 H new ATOM 0 H5'' DT A 2 -8.996 6.274 -5.478 1.00 0.00 H new ATOM 0 H4' DT A 2 -9.551 3.943 -5.644 1.00 0.00 H new ATOM 0 H3' DT A 2 -7.940 4.868 -3.578 1.00 0.00 H new ATOM 0 H2' DT A 2 -5.825 4.105 -4.511 1.00 0.00 H new ATOM 0 H2'' DT A 2 -6.308 2.694 -3.591 1.00 0.00 H new ATOM 0 H1' DT A 2 -7.191 1.574 -5.497 1.00 0.00 H new ATOM 0 H3 DT A 2 -3.307 0.032 -7.023 1.00 0.00 H new ATOM 0 H71 DT A 2 -2.121 4.261 -8.681 1.00 0.00 H new ATOM 0 H72 DT A 2 -3.605 4.351 -9.660 1.00 0.00 H new ATOM 0 H73 DT A 2 -3.465 5.308 -8.166 1.00 0.00 H new ATOM 0 H6 DT A 2 -5.443 4.368 -7.195 1.00 0.00 H new ATOM 64 P DG A 3 -9.213 3.213 -1.947 1.00 0.00 P ATOM 65 OP1 DG A 3 -10.287 2.232 -1.635 1.00 0.00 O ATOM 66 OP2 DG A 3 -9.475 4.654 -1.673 1.00 0.00 O ATOM 67 O5' DG A 3 -7.877 2.784 -1.140 1.00 0.00 O ATOM 68 C5' DG A 3 -7.435 1.430 -1.064 1.00 0.00 C ATOM 69 C4' DG A 3 -6.282 1.222 -0.065 1.00 0.00 C ATOM 70 O4' DG A 3 -5.130 1.951 -0.480 1.00 0.00 O ATOM 71 C3' DG A 3 -6.656 1.686 1.355 1.00 0.00 C ATOM 72 O3' DG A 3 -6.129 0.793 2.340 1.00 0.00 O ATOM 73 C2' DG A 3 -6.018 3.070 1.399 1.00 0.00 C ATOM 74 C1' DG A 3 -4.772 2.865 0.543 1.00 0.00 C ATOM 75 N9 DG A 3 -4.285 4.143 -0.018 1.00 0.00 N ATOM 76 C8 DG A 3 -4.868 4.962 -0.956 1.00 0.00 C ATOM 77 N7 DG A 3 -4.220 6.081 -1.171 1.00 0.00 N ATOM 78 C5 DG A 3 -3.121 5.993 -0.297 1.00 0.00 C ATOM 79 C6 DG A 3 -2.038 6.905 -0.011 1.00 0.00 C ATOM 80 O6 DG A 3 -1.819 8.030 -0.470 1.00 0.00 O ATOM 81 N1 DG A 3 -1.141 6.424 0.929 1.00 0.00 N ATOM 82 C2 DG A 3 -1.272 5.220 1.541 1.00 0.00 C ATOM 83 N2 DG A 3 -0.400 4.887 2.455 1.00 0.00 N ATOM 84 N3 DG A 3 -2.264 4.364 1.331 1.00 0.00 N ATOM 85 C4 DG A 3 -3.153 4.802 0.397 1.00 0.00 C ATOM 0 H5' DG A 3 -7.113 1.104 -2.053 1.00 0.00 H new ATOM 0 H5'' DG A 3 -8.274 0.796 -0.777 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.075 0.152 -0.045 1.00 0.00 H new ATOM 0 H3' DG A 3 -7.725 1.705 1.567 1.00 0.00 H new ATOM 0 H2' DG A 3 -6.675 3.837 0.988 1.00 0.00 H new ATOM 0 H2'' DG A 3 -5.770 3.374 2.416 1.00 0.00 H new ATOM 0 H1' DG A 3 -3.951 2.472 1.142 1.00 0.00 H new ATOM 0 H8 DG A 3 -5.782 4.705 -1.472 1.00 0.00 H new ATOM 0 H1 DG A 3 -0.340 7.006 1.174 1.00 0.00 H new ATOM 0 H21 DG A 3 -0.477 3.987 2.930 1.00 0.00 H new ATOM 0 H22 DG A 3 0.358 5.527 2.694 1.00 0.00 H new ATOM 97 P DT A 4 -6.421 0.960 3.933 1.00 0.00 P ATOM 98 OP1 DT A 4 -6.387 -0.400 4.534 1.00 0.00 O ATOM 99 OP2 DT A 4 -7.653 1.778 4.117 1.00 0.00 O ATOM 100 O5' DT A 4 -5.165 1.811 4.518 1.00 0.00 O ATOM 101 C5' DT A 4 -3.854 1.256 4.536 1.00 0.00 C ATOM 102 C4' DT A 4 -2.776 2.111 5.229 1.00 0.00 C ATOM 103 O4' DT A 4 -2.498 3.295 4.486 1.00 0.00 O ATOM 104 C3' DT A 4 -3.149 2.537 6.665 1.00 0.00 C ATOM 105 O3' DT A 4 -2.065 2.338 7.573 1.00 0.00 O ATOM 106 C2' DT A 4 -3.400 4.033 6.509 1.00 0.00 C ATOM 107 C1' DT A 4 -2.391 4.368 5.411 1.00 0.00 C ATOM 108 N1 DT A 4 -2.638 5.687 4.763 1.00 0.00 N ATOM 109 C2 DT A 4 -1.741 6.734 5.006 1.00 0.00 C ATOM 110 O2 DT A 4 -0.754 6.637 5.740 1.00 0.00 O ATOM 111 N3 DT A 4 -1.999 7.932 4.378 1.00 0.00 N ATOM 112 C4 DT A 4 -3.059 8.194 3.542 1.00 0.00 C ATOM 113 O4 DT A 4 -3.156 9.320 3.049 1.00 0.00 O ATOM 114 C5 DT A 4 -3.963 7.063 3.328 1.00 0.00 C ATOM 115 C7 DT A 4 -5.169 7.207 2.415 1.00 0.00 C ATOM 116 C6 DT A 4 -3.727 5.868 3.934 1.00 0.00 C ATOM 0 H5' DT A 4 -3.542 1.075 3.507 1.00 0.00 H new ATOM 0 H5'' DT A 4 -3.897 0.286 5.032 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.900 1.464 5.277 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.989 1.969 7.064 1.00 0.00 H new ATOM 0 H2' DT A 4 -4.425 4.253 6.212 1.00 0.00 H new ATOM 0 H2'' DT A 4 -3.210 4.584 7.430 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.386 4.468 5.821 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.344 8.695 4.549 1.00 0.00 H new ATOM 0 H71 DT A 4 -5.397 6.244 1.959 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.027 7.545 2.996 1.00 0.00 H new ATOM 0 H73 DT A 4 -4.950 7.936 1.634 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.405 5.045 3.763 1.00 0.00 H new ATOM 129 P DG A 5 -2.222 1.420 8.898 1.00 0.00 P ATOM 130 OP1 DG A 5 -3.492 1.788 9.580 1.00 0.00 O ATOM 131 OP2 DG A 5 -0.954 1.505 9.671 1.00 0.00 O ATOM 132 O5' DG A 5 -2.385 -0.078 8.311 1.00 0.00 O ATOM 133 C5' DG A 5 -1.277 -0.797 7.776 1.00 0.00 C ATOM 134 C4' DG A 5 -1.744 -2.077 7.059 1.00 0.00 C ATOM 135 O4' DG A 5 -2.465 -1.741 5.878 1.00 0.00 O ATOM 136 C3' DG A 5 -0.573 -2.989 6.630 1.00 0.00 C ATOM 137 O3' DG A 5 -0.730 -4.334 7.079 1.00 0.00 O ATOM 138 C2' DG A 5 -0.662 -2.950 5.111 1.00 0.00 C ATOM 139 C1' DG A 5 -2.158 -2.730 4.918 1.00 0.00 C ATOM 140 N9 DG A 5 -2.538 -2.340 3.538 1.00 0.00 N ATOM 141 C8 DG A 5 -3.386 -3.041 2.721 1.00 0.00 C ATOM 142 N7 DG A 5 -3.556 -2.521 1.536 1.00 0.00 N ATOM 143 C5 DG A 5 -2.739 -1.381 1.565 1.00 0.00 C ATOM 144 C6 DG A 5 -2.458 -0.399 0.553 1.00 0.00 C ATOM 145 O6 DG A 5 -2.857 -0.340 -0.609 1.00 0.00 O ATOM 146 N1 DG A 5 -1.591 0.590 0.966 1.00 0.00 N ATOM 147 C2 DG A 5 -1.008 0.612 2.184 1.00 0.00 C ATOM 148 N2 DG A 5 -0.136 1.567 2.384 1.00 0.00 N ATOM 149 N3 DG A 5 -1.213 -0.282 3.147 1.00 0.00 N ATOM 150 C4 DG A 5 -2.106 -1.262 2.787 1.00 0.00 C ATOM 0 H5' DG A 5 -0.586 -1.057 8.578 1.00 0.00 H new ATOM 0 H5'' DG A 5 -0.731 -0.163 7.077 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.366 -2.611 7.777 1.00 0.00 H new ATOM 0 H3' DG A 5 0.377 -2.654 7.046 1.00 0.00 H new ATOM 0 H2' DG A 5 -0.067 -2.143 4.683 1.00 0.00 H new ATOM 0 H2'' DG A 5 -0.318 -3.877 4.653 1.00 0.00 H new ATOM 0 H1' DG A 5 -2.728 -3.649 5.057 1.00 0.00 H new ATOM 0 H8 DG A 5 -3.875 -3.952 3.033 1.00 0.00 H new ATOM 0 H1 DG A 5 -1.378 1.347 0.316 1.00 0.00 H new ATOM 0 H21 DG A 5 0.342 1.642 3.282 1.00 0.00 H new ATOM 0 H22 DG A 5 0.066 2.237 1.642 1.00 0.00 H new ATOM 162 P DG A 6 -0.099 -4.822 8.485 1.00 0.00 P ATOM 163 OP1 DG A 6 -0.542 -6.217 8.749 1.00 0.00 O ATOM 164 OP2 DG A 6 -0.390 -3.784 9.515 1.00 0.00 O ATOM 165 O5' DG A 6 1.507 -4.813 8.223 1.00 0.00 O ATOM 166 C5' DG A 6 2.191 -5.888 7.578 1.00 0.00 C ATOM 167 C4' DG A 6 1.916 -6.050 6.067 1.00 0.00 C ATOM 168 O4' DG A 6 2.258 -4.854 5.359 1.00 0.00 O ATOM 169 C3' DG A 6 2.818 -7.176 5.503 1.00 0.00 C ATOM 170 O3' DG A 6 2.281 -7.941 4.419 1.00 0.00 O ATOM 171 C2' DG A 6 3.985 -6.361 4.940 1.00 0.00 C ATOM 172 C1' DG A 6 3.187 -5.205 4.347 1.00 0.00 C ATOM 173 N9 DG A 6 3.994 -4.055 3.884 1.00 0.00 N ATOM 174 C8 DG A 6 4.707 -3.133 4.611 1.00 0.00 C ATOM 175 N7 DG A 6 5.236 -2.176 3.884 1.00 0.00 N ATOM 176 C5 DG A 6 4.851 -2.501 2.570 1.00 0.00 C ATOM 177 C6 DG A 6 5.075 -1.851 1.298 1.00 0.00 C ATOM 178 O6 DG A 6 5.697 -0.814 1.033 1.00 0.00 O ATOM 179 N1 DG A 6 4.496 -2.526 0.242 1.00 0.00 N ATOM 180 C2 DG A 6 3.822 -3.685 0.353 1.00 0.00 C ATOM 181 N2 DG A 6 3.356 -4.183 -0.757 1.00 0.00 N ATOM 182 N3 DG A 6 3.595 -4.329 1.489 1.00 0.00 N ATOM 183 C4 DG A 6 4.122 -3.674 2.571 1.00 0.00 C ATOM 0 H5' DG A 6 1.921 -6.818 8.079 1.00 0.00 H new ATOM 0 H5'' DG A 6 3.263 -5.749 7.720 1.00 0.00 H new ATOM 0 H4' DG A 6 0.857 -6.276 5.940 1.00 0.00 H new ATOM 0 H3' DG A 6 3.017 -7.915 6.279 1.00 0.00 H new ATOM 0 H2' DG A 6 4.687 -6.040 5.709 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.560 -6.906 4.192 1.00 0.00 H new ATOM 0 H1' DG A 6 2.702 -5.518 3.422 1.00 0.00 H new ATOM 0 H8 DG A 6 4.822 -3.190 5.683 1.00 0.00 H new ATOM 0 H1 DG A 6 4.586 -2.117 -0.688 1.00 0.00 H new ATOM 0 H21 DG A 6 2.835 -5.060 -0.744 1.00 0.00 H new ATOM 0 H22 DG A 6 3.512 -3.696 -1.640 1.00 0.00 H new ATOM 195 P DG A 7 0.949 -8.862 4.512 1.00 0.00 P ATOM 196 OP1 DG A 7 0.299 -8.698 5.839 1.00 0.00 O ATOM 197 OP2 DG A 7 1.318 -10.233 4.072 1.00 0.00 O ATOM 198 O5' DG A 7 -0.009 -8.224 3.368 1.00 0.00 O ATOM 199 C5' DG A 7 -0.309 -6.832 3.329 1.00 0.00 C ATOM 200 C4' DG A 7 -1.074 -6.403 2.062 1.00 0.00 C ATOM 201 O4' DG A 7 -1.050 -4.971 2.046 1.00 0.00 O ATOM 202 C3' DG A 7 -0.425 -6.888 0.746 1.00 0.00 C ATOM 203 O3' DG A 7 -1.419 -7.095 -0.266 1.00 0.00 O ATOM 204 C2' DG A 7 0.444 -5.686 0.412 1.00 0.00 C ATOM 205 C1' DG A 7 -0.518 -4.571 0.793 1.00 0.00 C ATOM 206 N9 DG A 7 0.145 -3.248 0.774 1.00 0.00 N ATOM 207 C8 DG A 7 0.934 -2.650 1.721 1.00 0.00 C ATOM 208 N7 DG A 7 1.504 -1.540 1.330 1.00 0.00 N ATOM 209 C5 DG A 7 1.045 -1.381 0.013 1.00 0.00 C ATOM 210 C6 DG A 7 1.306 -0.373 -0.991 1.00 0.00 C ATOM 211 O6 DG A 7 2.021 0.627 -0.939 1.00 0.00 O ATOM 212 N1 DG A 7 0.640 -0.601 -2.173 1.00 0.00 N ATOM 213 C2 DG A 7 -0.188 -1.646 -2.386 1.00 0.00 C ATOM 214 N2 DG A 7 -0.759 -1.704 -3.560 1.00 0.00 N ATOM 215 N3 DG A 7 -0.452 -2.603 -1.508 1.00 0.00 N ATOM 216 C4 DG A 7 0.197 -2.417 -0.320 1.00 0.00 C ATOM 0 H5' DG A 7 0.621 -6.266 3.391 1.00 0.00 H new ATOM 0 H5'' DG A 7 -0.900 -6.571 4.207 1.00 0.00 H new ATOM 0 H4' DG A 7 -2.072 -6.839 2.105 1.00 0.00 H new ATOM 0 H3' DG A 7 0.109 -7.835 0.819 1.00 0.00 H new ATOM 0 H2' DG A 7 1.366 -5.661 0.993 1.00 0.00 H new ATOM 0 H2'' DG A 7 0.728 -5.653 -0.640 1.00 0.00 H new ATOM 0 H1' DG A 7 -1.330 -4.432 0.079 1.00 0.00 H new ATOM 0 H8 DG A 7 1.074 -3.062 2.710 1.00 0.00 H new ATOM 0 H1 DG A 7 0.781 0.061 -2.936 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.395 -2.470 -3.780 1.00 0.00 H new ATOM 0 H22 DG A 7 -0.569 -0.983 -4.256 1.00 0.00 H new ATOM 228 P DT A 8 -1.153 -7.994 -1.595 1.00 0.00 P ATOM 229 OP1 DT A 8 -2.433 -8.047 -2.359 1.00 0.00 O ATOM 230 OP2 DT A 8 -0.547 -9.285 -1.166 1.00 0.00 O ATOM 231 O5' DT A 8 -0.050 -7.221 -2.502 1.00 0.00 O ATOM 232 C5' DT A 8 -0.330 -5.990 -3.167 1.00 0.00 C ATOM 233 C4' DT A 8 0.858 -5.450 -3.993 1.00 0.00 C ATOM 234 O4' DT A 8 2.019 -5.320 -3.175 1.00 0.00 O ATOM 235 C3' DT A 8 1.239 -6.385 -5.158 1.00 0.00 C ATOM 236 O3' DT A 8 1.720 -5.699 -6.318 1.00 0.00 O ATOM 237 C2' DT A 8 2.382 -7.201 -4.557 1.00 0.00 C ATOM 238 C1' DT A 8 3.061 -6.136 -3.696 1.00 0.00 C ATOM 239 N1 DT A 8 3.891 -6.688 -2.592 1.00 0.00 N ATOM 240 C2 DT A 8 5.275 -6.450 -2.621 1.00 0.00 C ATOM 241 O2 DT A 8 5.877 -5.985 -3.590 1.00 0.00 O ATOM 242 N3 DT A 8 5.986 -6.778 -1.486 1.00 0.00 N ATOM 243 C4 DT A 8 5.464 -7.357 -0.347 1.00 0.00 C ATOM 244 O4 DT A 8 6.218 -7.588 0.599 1.00 0.00 O ATOM 245 C5 DT A 8 4.029 -7.642 -0.409 1.00 0.00 C ATOM 246 C7 DT A 8 3.326 -8.307 0.762 1.00 0.00 C ATOM 247 C6 DT A 8 3.306 -7.320 -1.516 1.00 0.00 C ATOM 0 H5' DT A 8 -0.616 -5.243 -2.426 1.00 0.00 H new ATOM 0 H5'' DT A 8 -1.187 -6.129 -3.826 1.00 0.00 H new ATOM 0 H4' DT A 8 0.533 -4.487 -4.386 1.00 0.00 H new ATOM 0 H3' DT A 8 0.377 -6.953 -5.507 1.00 0.00 H new ATOM 0 H2' DT A 8 2.024 -8.045 -3.967 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.048 -7.605 -5.319 1.00 0.00 H new ATOM 0 H1' DT A 8 3.763 -5.576 -4.314 1.00 0.00 H new ATOM 0 H3 DT A 8 6.986 -6.575 -1.488 1.00 0.00 H new ATOM 0 H71 DT A 8 4.027 -8.956 1.287 1.00 0.00 H new ATOM 0 H72 DT A 8 2.957 -7.543 1.446 1.00 0.00 H new ATOM 0 H73 DT A 8 2.489 -8.900 0.394 1.00 0.00 H new ATOM 0 H6 DT A 8 2.255 -7.564 -1.552 1.00 0.00 H new ATOM 260 P DG A 9 0.779 -4.736 -7.225 1.00 0.00 P ATOM 261 OP1 DG A 9 -0.646 -4.997 -6.885 1.00 0.00 O ATOM 262 OP2 DG A 9 1.215 -4.889 -8.641 1.00 0.00 O ATOM 263 O5' DG A 9 1.163 -3.238 -6.739 1.00 0.00 O ATOM 264 C5' DG A 9 0.309 -2.126 -6.998 1.00 0.00 C ATOM 265 C4' DG A 9 0.947 -0.754 -6.680 1.00 0.00 C ATOM 266 O4' DG A 9 1.406 -0.735 -5.328 1.00 0.00 O ATOM 267 C3' DG A 9 2.149 -0.423 -7.589 1.00 0.00 C ATOM 268 O3' DG A 9 2.123 0.956 -7.977 1.00 0.00 O ATOM 269 C2' DG A 9 3.323 -0.754 -6.679 1.00 0.00 C ATOM 270 C1' DG A 9 2.775 -0.369 -5.310 1.00 0.00 C ATOM 271 N9 DG A 9 3.517 -1.082 -4.250 1.00 0.00 N ATOM 272 C8 DG A 9 3.570 -2.435 -4.031 1.00 0.00 C ATOM 273 N7 DG A 9 4.512 -2.805 -3.204 1.00 0.00 N ATOM 274 C5 DG A 9 5.131 -1.598 -2.850 1.00 0.00 C ATOM 275 C6 DG A 9 6.255 -1.317 -1.996 1.00 0.00 C ATOM 276 O6 DG A 9 7.010 -2.113 -1.435 1.00 0.00 O ATOM 277 N1 DG A 9 6.442 0.028 -1.747 1.00 0.00 N ATOM 278 C2 DG A 9 5.718 1.002 -2.359 1.00 0.00 C ATOM 279 N2 DG A 9 6.020 2.239 -2.079 1.00 0.00 N ATOM 280 N3 DG A 9 4.725 0.791 -3.219 1.00 0.00 N ATOM 281 C4 DG A 9 4.465 -0.535 -3.416 1.00 0.00 C ATOM 0 H5' DG A 9 -0.602 -2.236 -6.410 1.00 0.00 H new ATOM 0 H5'' DG A 9 0.015 -2.144 -8.047 1.00 0.00 H new ATOM 0 H4' DG A 9 0.170 -0.009 -6.852 1.00 0.00 H new ATOM 0 H3' DG A 9 2.175 -0.969 -8.532 1.00 0.00 H new ATOM 0 H2' DG A 9 3.594 -1.809 -6.729 1.00 0.00 H new ATOM 0 H2'' DG A 9 4.215 -0.183 -6.938 1.00 0.00 H new ATOM 0 H1' DG A 9 2.887 0.695 -5.103 1.00 0.00 H new ATOM 0 H8 DG A 9 2.893 -3.133 -4.501 1.00 0.00 H new ATOM 0 H1 DG A 9 7.156 0.303 -1.073 1.00 0.00 H new ATOM 0 H21 DG A 9 5.502 3.002 -2.516 1.00 0.00 H new ATOM 0 H22 DG A 9 6.774 2.444 -1.423 1.00 0.00 H new ATOM 293 P DT A 10 3.231 1.633 -8.955 1.00 0.00 P ATOM 294 OP1 DT A 10 2.603 2.797 -9.638 1.00 0.00 O ATOM 295 OP2 DT A 10 3.832 0.568 -9.805 1.00 0.00 O ATOM 296 O5' DT A 10 4.390 2.195 -7.962 1.00 0.00 O ATOM 297 C5' DT A 10 4.106 3.233 -7.026 1.00 0.00 C ATOM 298 C4' DT A 10 5.333 3.744 -6.255 1.00 0.00 C ATOM 299 O4' DT A 10 5.847 2.735 -5.400 1.00 0.00 O ATOM 300 C3' DT A 10 6.485 4.235 -7.162 1.00 0.00 C ATOM 301 O3' DT A 10 6.862 5.622 -7.063 1.00 0.00 O ATOM 302 C2' DT A 10 7.582 3.210 -6.869 1.00 0.00 C ATOM 303 C1' DT A 10 7.264 2.800 -5.428 1.00 0.00 C ATOM 304 N1 DT A 10 7.855 1.488 -5.045 1.00 0.00 N ATOM 305 C2 DT A 10 8.851 1.455 -4.058 1.00 0.00 C ATOM 306 O2 DT A 10 9.285 2.450 -3.479 1.00 0.00 O ATOM 307 N3 DT A 10 9.356 0.216 -3.728 1.00 0.00 N ATOM 308 C4 DT A 10 8.965 -0.986 -4.276 1.00 0.00 C ATOM 309 O4 DT A 10 9.517 -2.018 -3.889 1.00 0.00 O ATOM 310 C5 DT A 10 7.908 -0.888 -5.282 1.00 0.00 C ATOM 311 C7 DT A 10 7.351 -2.138 -5.936 1.00 0.00 C ATOM 312 C6 DT A 10 7.405 0.324 -5.638 1.00 0.00 C ATOM 0 H5' DT A 10 3.368 2.869 -6.311 1.00 0.00 H new ATOM 0 H5'' DT A 10 3.651 4.069 -7.556 1.00 0.00 H new ATOM 0 H4' DT A 10 4.970 4.598 -5.684 1.00 0.00 H new ATOM 0 H3' DT A 10 6.195 4.266 -8.212 1.00 0.00 H new ATOM 0 H2' DT A 10 7.540 2.362 -7.552 1.00 0.00 H new ATOM 0 H2'' DT A 10 8.578 3.643 -6.959 1.00 0.00 H new ATOM 0 H1' DT A 10 7.687 3.508 -4.715 1.00 0.00 H new ATOM 0 H3 DT A 10 10.084 0.186 -3.014 1.00 0.00 H new ATOM 0 H71 DT A 10 6.308 -1.973 -6.208 1.00 0.00 H new ATOM 0 H72 DT A 10 7.928 -2.368 -6.832 1.00 0.00 H new ATOM 0 H73 DT A 10 7.416 -2.973 -5.239 1.00 0.00 H new ATOM 0 H6 DT A 10 6.640 0.378 -6.398 1.00 0.00 H new ATOM 325 P DG A 11 7.433 6.384 -5.736 1.00 0.00 P ATOM 326 OP1 DG A 11 7.617 7.814 -6.107 1.00 0.00 O ATOM 327 OP2 DG A 11 8.623 5.655 -5.222 1.00 0.00 O ATOM 328 O5' DG A 11 6.262 6.302 -4.613 1.00 0.00 O ATOM 329 C5' DG A 11 5.276 7.323 -4.426 1.00 0.00 C ATOM 330 C4' DG A 11 4.405 7.678 -5.658 1.00 0.00 C ATOM 331 O4' DG A 11 3.734 6.532 -6.177 1.00 0.00 O ATOM 332 C3' DG A 11 3.323 8.704 -5.269 1.00 0.00 C ATOM 333 O3' DG A 11 3.073 9.637 -6.320 1.00 0.00 O ATOM 334 C2' DG A 11 2.111 7.806 -5.046 1.00 0.00 C ATOM 335 C1' DG A 11 2.331 6.737 -6.118 1.00 0.00 C ATOM 336 N9 DG A 11 1.602 5.470 -5.844 1.00 0.00 N ATOM 337 C8 DG A 11 0.579 4.919 -6.579 1.00 0.00 C ATOM 338 N7 DG A 11 0.138 3.774 -6.126 1.00 0.00 N ATOM 339 C5 DG A 11 0.919 3.553 -4.983 1.00 0.00 C ATOM 340 C6 DG A 11 0.907 2.481 -4.020 1.00 0.00 C ATOM 341 O6 DG A 11 0.176 1.493 -3.961 1.00 0.00 O ATOM 342 N1 DG A 11 1.828 2.631 -3.008 1.00 0.00 N ATOM 343 C2 DG A 11 2.633 3.711 -2.890 1.00 0.00 C ATOM 344 N2 DG A 11 3.368 3.783 -1.810 1.00 0.00 N ATOM 345 N3 DG A 11 2.689 4.724 -3.749 1.00 0.00 N ATOM 346 C4 DG A 11 1.806 4.594 -4.789 1.00 0.00 C ATOM 0 H5' DG A 11 5.782 8.229 -4.094 1.00 0.00 H new ATOM 0 H5'' DG A 11 4.613 7.013 -3.618 1.00 0.00 H new ATOM 0 H4' DG A 11 5.079 8.083 -6.412 1.00 0.00 H new ATOM 0 H3' DG A 11 3.596 9.317 -4.410 1.00 0.00 H new ATOM 0 H2' DG A 11 2.091 7.383 -4.041 1.00 0.00 H new ATOM 0 H2'' DG A 11 1.172 8.341 -5.185 1.00 0.00 H new ATOM 0 HO3' DG A 11 2.381 10.270 -6.037 1.00 0.00 H new ATOM 0 H1' DG A 11 1.929 7.074 -7.074 1.00 0.00 H new ATOM 0 H8 DG A 11 0.172 5.394 -7.460 1.00 0.00 H new ATOM 0 H1 DG A 11 1.907 1.890 -2.312 1.00 0.00 H new ATOM 0 H21 DG A 11 3.993 4.577 -1.671 1.00 0.00 H new ATOM 0 H22 DG A 11 3.316 3.045 -1.108 1.00 0.00 H new TER 358 DG A 11