USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 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 57:sc= 0.417 USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.09 (180deg=-0.09) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 57:sc= 0.405 USER MOD Single : B 8 DT C7 :methyl 150:sc= -0.0946 (180deg=-0.0946) USER MOD Single : B 8 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 7.371 7.200 1.593 1.00 0.00 O ATOM 2 C5' DG A 1 7.283 7.636 2.949 1.00 0.00 C ATOM 3 C4' DG A 1 8.258 6.869 3.817 1.00 0.00 C ATOM 4 O4' DG A 1 9.588 7.204 3.367 1.00 0.00 O ATOM 5 C3' DG A 1 8.259 7.117 5.356 1.00 0.00 C ATOM 6 O3' DG A 1 7.265 6.362 6.065 1.00 0.00 O ATOM 7 C2' DG A 1 9.653 6.609 5.670 1.00 0.00 C ATOM 8 C1' DG A 1 10.289 7.428 4.585 1.00 0.00 C ATOM 9 N9 DG A 1 10.549 8.827 4.894 1.00 0.00 N ATOM 10 C8 DG A 1 11.368 9.199 5.892 1.00 0.00 C ATOM 11 N7 DG A 1 11.459 10.490 6.065 1.00 0.00 N ATOM 12 C5 DG A 1 10.615 11.005 5.088 1.00 0.00 C ATOM 13 C6 DG A 1 10.293 12.351 4.774 1.00 0.00 C ATOM 14 O6 DG A 1 10.706 13.374 5.318 1.00 0.00 O ATOM 15 N1 DG A 1 9.404 12.433 3.720 1.00 0.00 N ATOM 16 C2 DG A 1 8.885 11.356 3.047 1.00 0.00 C ATOM 17 N2 DG A 1 8.034 11.615 2.049 1.00 0.00 N ATOM 18 N3 DG A 1 9.176 10.084 3.328 1.00 0.00 N ATOM 19 C4 DG A 1 10.041 9.983 4.352 1.00 0.00 C ATOM 0 H5' DG A 1 6.268 7.492 3.318 1.00 0.00 H new ATOM 0 H5'' DG A 1 7.496 8.703 3.009 1.00 0.00 H new ATOM 0 H4' DG A 1 7.937 5.834 3.699 1.00 0.00 H new ATOM 0 H3' DG A 1 8.031 8.143 5.644 1.00 0.00 H new ATOM 0 H2' DG A 1 10.000 6.853 6.674 1.00 0.00 H new ATOM 0 H2'' DG A 1 9.774 5.533 5.544 1.00 0.00 H new ATOM 0 HO5' DG A 1 7.209 6.235 1.549 1.00 0.00 H new ATOM 0 H1' DG A 1 11.313 7.070 4.475 1.00 0.00 H new ATOM 0 H8 DG A 1 11.907 8.488 6.501 1.00 0.00 H new ATOM 0 H1 DG A 1 9.112 13.363 3.420 1.00 0.00 H new ATOM 0 H21 DG A 1 7.621 10.848 1.519 1.00 0.00 H new ATOM 0 H22 DG A 1 7.797 12.580 1.818 1.00 0.00 H new ATOM 32 P DA A 2 5.693 6.418 5.707 1.00 0.00 P ATOM 33 OP1 DA A 2 5.347 7.833 5.419 1.00 0.00 O ATOM 34 OP2 DA A 2 4.945 5.699 6.766 1.00 0.00 O ATOM 35 O5' DA A 2 5.528 5.592 4.331 1.00 0.00 O ATOM 36 C5' DA A 2 5.487 4.164 4.200 1.00 0.00 C ATOM 37 C4' DA A 2 5.611 3.799 2.725 1.00 0.00 C ATOM 38 O4' DA A 2 6.798 4.323 2.158 1.00 0.00 O ATOM 39 C3' DA A 2 5.564 2.367 2.205 1.00 0.00 C ATOM 40 O3' DA A 2 4.964 2.197 0.905 1.00 0.00 O ATOM 41 C2' DA A 2 7.013 1.982 2.135 1.00 0.00 C ATOM 42 C1' DA A 2 7.741 3.290 1.853 1.00 0.00 C ATOM 43 N9 DA A 2 8.812 3.521 2.824 1.00 0.00 N ATOM 44 C8 DA A 2 8.898 3.119 4.145 1.00 0.00 C ATOM 45 N7 DA A 2 10.002 3.495 4.721 1.00 0.00 N ATOM 46 C5 DA A 2 10.681 4.175 3.733 1.00 0.00 C ATOM 47 C6 DA A 2 11.912 4.812 3.734 1.00 0.00 C ATOM 48 N6 DA A 2 12.668 4.877 4.837 1.00 0.00 N ATOM 49 N1 DA A 2 12.294 5.389 2.592 1.00 0.00 N ATOM 50 C2 DA A 2 11.499 5.340 1.517 1.00 0.00 C ATOM 51 N3 DA A 2 10.307 4.765 1.398 1.00 0.00 N ATOM 52 C4 DA A 2 9.964 4.198 2.562 1.00 0.00 C ATOM 0 H5' DA A 2 4.554 3.775 4.607 1.00 0.00 H new ATOM 0 H5'' DA A 2 6.298 3.710 4.770 1.00 0.00 H new ATOM 0 H4' DA A 2 4.656 4.233 2.428 1.00 0.00 H new ATOM 0 H3' DA A 2 4.939 1.758 2.859 1.00 0.00 H new ATOM 0 H2' DA A 2 7.350 1.533 3.069 1.00 0.00 H new ATOM 0 H2'' DA A 2 7.192 1.250 1.347 1.00 0.00 H new ATOM 0 H1' DA A 2 8.130 3.270 0.835 1.00 0.00 H new ATOM 0 H8 DA A 2 8.128 2.552 4.646 1.00 0.00 H new ATOM 0 H61 DA A 2 13.570 5.352 4.810 1.00 0.00 H new ATOM 0 H62 DA A 2 12.342 4.451 5.705 1.00 0.00 H new ATOM 0 H2 DA A 2 11.875 5.831 0.632 1.00 0.00 H new ATOM 64 P DG A 3 5.055 3.122 -0.428 1.00 0.00 P ATOM 65 OP1 DG A 3 5.035 4.547 -0.011 1.00 0.00 O ATOM 66 OP2 DG A 3 4.011 2.632 -1.363 1.00 0.00 O ATOM 67 O5' DG A 3 6.477 2.844 -1.122 1.00 0.00 O ATOM 68 C5' DG A 3 6.820 3.355 -2.427 1.00 0.00 C ATOM 69 C4' DG A 3 8.176 2.817 -2.847 1.00 0.00 C ATOM 70 O4' DG A 3 9.082 3.129 -1.803 1.00 0.00 O ATOM 71 C3' DG A 3 8.259 1.294 -2.869 1.00 0.00 C ATOM 72 O3' DG A 3 7.727 0.688 -4.053 1.00 0.00 O ATOM 73 C2' DG A 3 9.747 1.044 -2.651 1.00 0.00 C ATOM 74 C1' DG A 3 10.251 2.410 -2.184 1.00 0.00 C ATOM 75 N9 DG A 3 11.025 2.377 -0.969 1.00 0.00 N ATOM 76 C8 DG A 3 12.166 3.047 -0.677 1.00 0.00 C ATOM 77 N7 DG A 3 12.600 2.828 0.534 1.00 0.00 N ATOM 78 C5 DG A 3 11.668 1.947 1.059 1.00 0.00 C ATOM 79 C6 DG A 3 11.594 1.346 2.323 1.00 0.00 C ATOM 80 O6 DG A 3 12.385 1.514 3.241 1.00 0.00 O ATOM 81 N1 DG A 3 10.488 0.514 2.435 1.00 0.00 N ATOM 82 C2 DG A 3 9.572 0.301 1.435 1.00 0.00 C ATOM 83 N2 DG A 3 8.563 -0.537 1.656 1.00 0.00 N ATOM 84 N3 DG A 3 9.632 0.867 0.244 1.00 0.00 N ATOM 85 C4 DG A 3 10.697 1.666 0.133 1.00 0.00 C ATOM 0 H5' DG A 3 6.840 4.445 -2.408 1.00 0.00 H new ATOM 0 H5'' DG A 3 6.061 3.063 -3.153 1.00 0.00 H new ATOM 0 H4' DG A 3 8.373 3.236 -3.834 1.00 0.00 H new ATOM 0 H3' DG A 3 7.634 0.826 -2.109 1.00 0.00 H new ATOM 0 H2' DG A 3 9.923 0.270 -1.904 1.00 0.00 H new ATOM 0 H2'' DG A 3 10.242 0.721 -3.567 1.00 0.00 H new ATOM 0 H1' DG A 3 10.863 2.820 -2.987 1.00 0.00 H new ATOM 0 H8 DG A 3 12.667 3.698 -1.378 1.00 0.00 H new ATOM 0 H1 DG A 3 10.347 0.028 3.321 1.00 0.00 H new ATOM 0 H21 DG A 3 7.873 -0.708 0.925 1.00 0.00 H new ATOM 0 H22 DG A 3 8.480 -1.009 2.557 1.00 0.00 H new ATOM 97 P DC A 4 8.189 1.147 -5.524 1.00 0.00 P ATOM 98 OP1 DC A 4 7.876 2.587 -5.707 1.00 0.00 O ATOM 99 OP2 DC A 4 7.684 0.153 -6.503 1.00 0.00 O ATOM 100 O5' DC A 4 9.769 0.973 -5.372 1.00 0.00 O ATOM 101 C5' DC A 4 10.776 1.834 -5.891 1.00 0.00 C ATOM 102 C4' DC A 4 12.123 1.439 -5.306 1.00 0.00 C ATOM 103 O4' DC A 4 12.340 1.693 -3.894 1.00 0.00 O ATOM 104 C3' DC A 4 12.333 -0.074 -5.302 1.00 0.00 C ATOM 105 O3' DC A 4 12.437 -0.897 -6.462 1.00 0.00 O ATOM 106 C2' DC A 4 13.425 -0.294 -4.280 1.00 0.00 C ATOM 107 C1' DC A 4 13.564 1.024 -3.495 1.00 0.00 C ATOM 108 N1 DC A 4 13.641 0.673 -2.058 1.00 0.00 N ATOM 109 C2 DC A 4 14.683 1.089 -1.203 1.00 0.00 C ATOM 110 O2 DC A 4 15.605 1.832 -1.550 1.00 0.00 O ATOM 111 N3 DC A 4 14.666 0.650 0.077 1.00 0.00 N ATOM 112 C4 DC A 4 13.690 -0.154 0.514 1.00 0.00 C ATOM 113 N4 DC A 4 13.719 -0.562 1.781 1.00 0.00 N ATOM 114 C5 DC A 4 12.641 -0.574 -0.337 1.00 0.00 C ATOM 115 C6 DC A 4 12.655 -0.143 -1.582 1.00 0.00 C ATOM 0 H5' DC A 4 10.548 2.871 -5.643 1.00 0.00 H new ATOM 0 H5'' DC A 4 10.804 1.766 -6.978 1.00 0.00 H new ATOM 0 H4' DC A 4 12.770 2.040 -5.945 1.00 0.00 H new ATOM 0 H3' DC A 4 11.343 -0.477 -5.091 1.00 0.00 H new ATOM 0 H2' DC A 4 13.171 -1.118 -3.613 1.00 0.00 H new ATOM 0 H2'' DC A 4 14.364 -0.556 -4.767 1.00 0.00 H new ATOM 0 H1' DC A 4 14.438 1.650 -3.679 1.00 0.00 H new ATOM 0 H41 DC A 4 12.985 -1.175 2.136 1.00 0.00 H new ATOM 0 H42 DC A 4 14.475 -0.261 2.396 1.00 0.00 H new ATOM 0 H5 DC A 4 11.857 -1.225 0.021 1.00 0.00 H new ATOM 0 H6 DC A 4 11.860 -0.445 -2.248 1.00 0.00 H new ATOM 127 P DA A 5 11.256 -1.925 -6.882 1.00 0.00 P ATOM 128 OP1 DA A 5 11.763 -2.695 -8.047 1.00 0.00 O ATOM 129 OP2 DA A 5 10.004 -1.149 -7.037 1.00 0.00 O ATOM 130 O5' DA A 5 11.028 -2.996 -5.687 1.00 0.00 O ATOM 131 C5' DA A 5 10.730 -2.730 -4.303 1.00 0.00 C ATOM 132 C4' DA A 5 10.724 -4.020 -3.506 1.00 0.00 C ATOM 133 O4' DA A 5 11.817 -4.849 -3.897 1.00 0.00 O ATOM 134 C3' DA A 5 10.772 -4.066 -1.993 1.00 0.00 C ATOM 135 O3' DA A 5 10.454 -5.350 -1.412 1.00 0.00 O ATOM 136 C2' DA A 5 12.236 -3.826 -1.779 1.00 0.00 C ATOM 137 C1' DA A 5 12.855 -4.588 -2.945 1.00 0.00 C ATOM 138 N9 DA A 5 13.954 -3.822 -3.536 1.00 0.00 N ATOM 139 C8 DA A 5 14.241 -3.518 -4.841 1.00 0.00 C ATOM 140 N7 DA A 5 15.339 -2.808 -4.979 1.00 0.00 N ATOM 141 C5 DA A 5 15.791 -2.639 -3.674 1.00 0.00 C ATOM 142 C6 DA A 5 16.899 -1.985 -3.108 1.00 0.00 C ATOM 143 N6 DA A 5 17.820 -1.331 -3.822 1.00 0.00 N ATOM 144 N1 DA A 5 17.019 -2.028 -1.769 1.00 0.00 N ATOM 145 C2 DA A 5 16.094 -2.683 -1.052 1.00 0.00 C ATOM 146 N3 DA A 5 15.026 -3.328 -1.470 1.00 0.00 N ATOM 147 C4 DA A 5 14.940 -3.261 -2.797 1.00 0.00 C ATOM 0 H5' DA A 5 9.760 -2.240 -4.221 1.00 0.00 H new ATOM 0 H5'' DA A 5 11.470 -2.044 -3.891 1.00 0.00 H new ATOM 0 H4' DA A 5 9.708 -4.323 -3.759 1.00 0.00 H new ATOM 0 H3' DA A 5 10.056 -3.377 -1.545 1.00 0.00 H new ATOM 0 H2' DA A 5 12.484 -2.765 -1.807 1.00 0.00 H new ATOM 0 H2'' DA A 5 12.576 -4.207 -0.816 1.00 0.00 H new ATOM 0 H1' DA A 5 13.282 -5.532 -2.605 1.00 0.00 H new ATOM 0 H8 DA A 5 13.627 -3.830 -5.673 1.00 0.00 H new ATOM 0 H61 DA A 5 18.602 -0.876 -3.351 1.00 0.00 H new ATOM 0 H62 DA A 5 17.741 -1.287 -4.838 1.00 0.00 H new ATOM 0 H2 DA A 5 16.247 -2.681 0.017 1.00 0.00 H new ATOM 159 P DG A 6 9.551 -6.514 -2.087 1.00 0.00 P ATOM 160 OP1 DG A 6 10.249 -6.995 -3.305 1.00 0.00 O ATOM 161 OP2 DG A 6 8.157 -6.015 -2.204 1.00 0.00 O ATOM 162 O5' DG A 6 9.587 -7.714 -1.030 1.00 0.00 O ATOM 163 C5' DG A 6 8.629 -8.046 -0.019 1.00 0.00 C ATOM 164 C4' DG A 6 8.332 -6.924 0.958 1.00 0.00 C ATOM 165 O4' DG A 6 9.564 -6.344 1.406 1.00 0.00 O ATOM 166 C3' DG A 6 7.454 -5.709 0.544 1.00 0.00 C ATOM 167 O3' DG A 6 6.280 -5.483 1.341 1.00 0.00 O ATOM 168 C2' DG A 6 8.402 -4.576 0.852 1.00 0.00 C ATOM 169 C1' DG A 6 9.180 -5.133 2.062 1.00 0.00 C ATOM 170 N9 DG A 6 10.368 -4.355 2.381 1.00 0.00 N ATOM 171 C8 DG A 6 10.983 -3.541 1.493 1.00 0.00 C ATOM 172 N7 DG A 6 11.988 -2.890 1.960 1.00 0.00 N ATOM 173 C5 DG A 6 12.048 -3.304 3.271 1.00 0.00 C ATOM 174 C6 DG A 6 12.950 -2.915 4.245 1.00 0.00 C ATOM 175 O6 DG A 6 13.849 -2.116 4.065 1.00 0.00 O ATOM 176 N1 DG A 6 12.736 -3.520 5.457 1.00 0.00 N ATOM 177 C2 DG A 6 11.738 -4.420 5.708 1.00 0.00 C ATOM 178 N2 DG A 6 11.712 -4.888 6.968 1.00 0.00 N ATOM 179 N3 DG A 6 10.841 -4.817 4.778 1.00 0.00 N ATOM 180 C4 DG A 6 11.059 -4.216 3.578 1.00 0.00 C ATOM 0 H5' DG A 6 8.992 -8.910 0.538 1.00 0.00 H new ATOM 0 H5'' DG A 6 7.699 -8.346 -0.502 1.00 0.00 H new ATOM 0 H4' DG A 6 7.733 -7.469 1.688 1.00 0.00 H new ATOM 0 H3' DG A 6 7.081 -5.835 -0.473 1.00 0.00 H new ATOM 0 H2' DG A 6 9.059 -4.353 0.011 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.872 -3.655 1.096 1.00 0.00 H new ATOM 0 H1' DG A 6 8.643 -5.178 3.009 1.00 0.00 H new ATOM 0 H8 DG A 6 10.654 -3.445 0.469 1.00 0.00 H new ATOM 0 H1 DG A 6 13.365 -3.282 6.224 1.00 0.00 H new ATOM 0 H21 DG A 6 11.001 -5.564 7.246 1.00 0.00 H new ATOM 0 H22 DG A 6 12.403 -4.567 7.646 1.00 0.00 H new ATOM 192 P DG A 7 5.403 -6.638 2.032 1.00 0.00 P ATOM 193 OP1 DG A 7 5.214 -7.738 1.051 1.00 0.00 O ATOM 194 OP2 DG A 7 4.221 -6.013 2.676 1.00 0.00 O ATOM 195 O5' DG A 7 6.430 -7.144 3.160 1.00 0.00 O ATOM 196 C5' DG A 7 6.141 -7.495 4.513 1.00 0.00 C ATOM 197 C4' DG A 7 6.197 -6.292 5.439 1.00 0.00 C ATOM 198 O4' DG A 7 7.455 -5.585 5.311 1.00 0.00 O ATOM 199 C3' DG A 7 5.115 -5.195 5.282 1.00 0.00 C ATOM 200 O3' DG A 7 4.595 -4.684 6.518 1.00 0.00 O ATOM 201 C2' DG A 7 5.992 -4.108 4.676 1.00 0.00 C ATOM 202 C1' DG A 7 7.174 -4.218 5.642 1.00 0.00 C ATOM 203 N9 DG A 7 8.188 -3.234 5.259 1.00 0.00 N ATOM 204 C8 DG A 7 8.347 -2.656 4.027 1.00 0.00 C ATOM 205 N7 DG A 7 9.297 -1.779 3.992 1.00 0.00 N ATOM 206 C5 DG A 7 9.805 -1.763 5.264 1.00 0.00 C ATOM 207 C6 DG A 7 10.852 -0.991 5.775 1.00 0.00 C ATOM 208 O6 DG A 7 11.497 -0.170 5.133 1.00 0.00 O ATOM 209 N1 DG A 7 11.087 -1.252 7.110 1.00 0.00 N ATOM 210 C2 DG A 7 10.365 -2.169 7.849 1.00 0.00 C ATOM 211 N2 DG A 7 10.679 -2.339 9.132 1.00 0.00 N ATOM 212 N3 DG A 7 9.361 -2.910 7.369 1.00 0.00 N ATOM 213 C4 DG A 7 9.136 -2.656 6.071 1.00 0.00 C ATOM 0 H5' DG A 7 6.854 -8.247 4.852 1.00 0.00 H new ATOM 0 H5'' DG A 7 5.151 -7.947 4.566 1.00 0.00 H new ATOM 0 H4' DG A 7 6.037 -6.779 6.401 1.00 0.00 H new ATOM 0 H3' DG A 7 4.237 -5.543 4.738 1.00 0.00 H new ATOM 0 H2' DG A 7 6.268 -4.313 3.642 1.00 0.00 H new ATOM 0 H2'' DG A 7 5.521 -3.125 4.691 1.00 0.00 H new ATOM 0 H1' DG A 7 7.064 -4.020 6.708 1.00 0.00 H new ATOM 0 H8 DG A 7 7.739 -2.908 3.170 1.00 0.00 H new ATOM 0 H1 DG A 7 11.835 -0.739 7.577 1.00 0.00 H new ATOM 0 H21 DG A 7 10.161 -3.010 9.699 1.00 0.00 H new ATOM 0 H22 DG A 7 11.438 -1.798 9.547 1.00 0.00 H new ATOM 225 P DT A 8 3.989 -5.608 7.684 1.00 0.00 P ATOM 226 OP1 DT A 8 3.572 -6.902 7.087 1.00 0.00 O ATOM 227 OP2 DT A 8 3.000 -4.800 8.439 1.00 0.00 O ATOM 228 O5' DT A 8 5.278 -5.883 8.605 1.00 0.00 O ATOM 229 C5' DT A 8 5.307 -6.040 10.031 1.00 0.00 C ATOM 230 C4' DT A 8 5.426 -4.694 10.730 1.00 0.00 C ATOM 231 O4' DT A 8 6.548 -3.973 10.211 1.00 0.00 O ATOM 232 C3' DT A 8 4.279 -3.732 10.688 1.00 0.00 C ATOM 233 O3' DT A 8 3.149 -4.132 11.434 1.00 0.00 O ATOM 234 C2' DT A 8 4.993 -2.508 11.253 1.00 0.00 C ATOM 235 C1' DT A 8 6.404 -2.606 10.627 1.00 0.00 C ATOM 236 N1 DT A 8 6.635 -1.764 9.449 1.00 0.00 N ATOM 237 C2 DT A 8 7.761 -0.982 9.325 1.00 0.00 C ATOM 238 O2 DT A 8 8.629 -0.932 10.194 1.00 0.00 O ATOM 239 N3 DT A 8 7.827 -0.247 8.152 1.00 0.00 N ATOM 240 C4 DT A 8 6.911 -0.213 7.132 1.00 0.00 C ATOM 241 O4 DT A 8 7.092 0.486 6.134 1.00 0.00 O ATOM 242 C5 DT A 8 5.777 -1.057 7.367 1.00 0.00 C ATOM 243 C7 DT A 8 4.623 -1.152 6.427 1.00 0.00 C ATOM 244 C6 DT A 8 5.708 -1.766 8.473 1.00 0.00 C ATOM 0 H5' DT A 8 6.147 -6.675 10.313 1.00 0.00 H new ATOM 0 H5'' DT A 8 4.400 -6.546 10.362 1.00 0.00 H new ATOM 0 H4' DT A 8 5.499 -5.014 11.769 1.00 0.00 H new ATOM 0 H3' DT A 8 3.820 -3.602 9.708 1.00 0.00 H new ATOM 0 H2' DT A 8 4.490 -1.583 10.972 1.00 0.00 H new ATOM 0 H2'' DT A 8 5.032 -2.531 12.342 1.00 0.00 H new ATOM 0 HO3' DT A 8 2.448 -3.452 11.356 1.00 0.00 H new ATOM 0 H1' DT A 8 7.117 -2.264 11.377 1.00 0.00 H new ATOM 0 H3 DT A 8 8.654 0.338 8.033 1.00 0.00 H new ATOM 0 H71 DT A 8 4.184 -2.148 6.489 1.00 0.00 H new ATOM 0 H72 DT A 8 3.873 -0.408 6.695 1.00 0.00 H new ATOM 0 H73 DT A 8 4.967 -0.970 5.409 1.00 0.00 H new ATOM 0 H6 DT A 8 4.842 -2.397 8.608 1.00 0.00 H new TER 258 DT A 8 ATOM 259 O5' DG B 1 10.528 4.941 12.517 1.00 0.00 O ATOM 260 C5' DG B 1 9.664 5.715 11.687 1.00 0.00 C ATOM 261 C4' DG B 1 9.694 5.202 10.262 1.00 0.00 C ATOM 262 O4' DG B 1 9.154 3.864 10.278 1.00 0.00 O ATOM 263 C3' DG B 1 8.897 5.968 9.164 1.00 0.00 C ATOM 264 O3' DG B 1 9.600 7.092 8.615 1.00 0.00 O ATOM 265 C2' DG B 1 8.780 4.850 8.145 1.00 0.00 C ATOM 266 C1' DG B 1 8.277 3.863 9.157 1.00 0.00 C ATOM 267 N9 DG B 1 6.860 3.935 9.487 1.00 0.00 N ATOM 268 C8 DG B 1 5.900 3.743 8.566 1.00 0.00 C ATOM 269 N7 DG B 1 4.683 3.884 9.015 1.00 0.00 N ATOM 270 C5 DG B 1 4.871 4.204 10.355 1.00 0.00 C ATOM 271 C6 DG B 1 3.919 4.478 11.373 1.00 0.00 C ATOM 272 O6 DG B 1 2.694 4.490 11.278 1.00 0.00 O ATOM 273 N1 DG B 1 4.528 4.754 12.581 1.00 0.00 N ATOM 274 C2 DG B 1 5.883 4.767 12.793 1.00 0.00 C ATOM 275 N2 DG B 1 6.303 5.055 14.028 1.00 0.00 N ATOM 276 N3 DG B 1 6.793 4.512 11.849 1.00 0.00 N ATOM 277 C4 DG B 1 6.219 4.240 10.663 1.00 0.00 C ATOM 0 H5' DG B 1 9.970 6.761 11.709 1.00 0.00 H new ATOM 0 H5'' DG B 1 8.646 5.673 12.073 1.00 0.00 H new ATOM 0 H4' DG B 1 10.740 5.314 9.977 1.00 0.00 H new ATOM 0 H3' DG B 1 7.967 6.416 9.515 1.00 0.00 H new ATOM 0 H2' DG B 1 8.078 5.056 7.337 1.00 0.00 H new ATOM 0 H2'' DG B 1 9.726 4.569 7.682 1.00 0.00 H new ATOM 0 HO5' DG B 1 11.436 4.958 12.149 1.00 0.00 H new ATOM 0 H1' DG B 1 8.307 2.881 8.686 1.00 0.00 H new ATOM 0 H8 DG B 1 6.118 3.492 7.538 1.00 0.00 H new ATOM 0 H1 DG B 1 3.924 4.964 13.376 1.00 0.00 H new ATOM 0 H21 DG B 1 7.302 5.077 14.235 1.00 0.00 H new ATOM 0 H22 DG B 1 5.625 5.253 14.764 1.00 0.00 H new ATOM 290 P DA B 2 10.183 8.296 9.520 1.00 0.00 P ATOM 291 OP1 DA B 2 9.170 8.609 10.559 1.00 0.00 O ATOM 292 OP2 DA B 2 10.645 9.378 8.619 1.00 0.00 O ATOM 293 O5' DA B 2 11.474 7.688 10.273 1.00 0.00 O ATOM 294 C5' DA B 2 12.780 7.507 9.706 1.00 0.00 C ATOM 295 C4' DA B 2 13.616 6.653 10.651 1.00 0.00 C ATOM 296 O4' DA B 2 12.999 5.403 10.904 1.00 0.00 O ATOM 297 C3' DA B 2 15.073 6.290 10.391 1.00 0.00 C ATOM 298 O3' DA B 2 15.902 6.169 11.567 1.00 0.00 O ATOM 299 C2' DA B 2 14.978 4.954 9.715 1.00 0.00 C ATOM 300 C1' DA B 2 13.716 4.325 10.291 1.00 0.00 C ATOM 301 N9 DA B 2 12.810 3.883 9.230 1.00 0.00 N ATOM 302 C8 DA B 2 12.633 4.402 7.959 1.00 0.00 C ATOM 303 N7 DA B 2 11.739 3.756 7.266 1.00 0.00 N ATOM 304 C5 DA B 2 11.306 2.764 8.117 1.00 0.00 C ATOM 305 C6 DA B 2 10.363 1.761 7.958 1.00 0.00 C ATOM 306 N6 DA B 2 9.650 1.640 6.833 1.00 0.00 N ATOM 307 N1 DA B 2 10.171 0.942 8.996 1.00 0.00 N ATOM 308 C2 DA B 2 10.872 1.112 10.124 1.00 0.00 C ATOM 309 N3 DA B 2 11.793 2.030 10.391 1.00 0.00 N ATOM 310 C4 DA B 2 11.956 2.828 9.327 1.00 0.00 C ATOM 0 H5' DA B 2 13.259 8.473 9.548 1.00 0.00 H new ATOM 0 H5'' DA B 2 12.704 7.026 8.731 1.00 0.00 H new ATOM 0 H4' DA B 2 13.653 7.388 11.455 1.00 0.00 H new ATOM 0 H3' DA B 2 15.552 7.082 9.816 1.00 0.00 H new ATOM 0 H2' DA B 2 14.910 5.061 8.632 1.00 0.00 H new ATOM 0 H2'' DA B 2 15.856 4.342 9.920 1.00 0.00 H new ATOM 0 H1' DA B 2 13.996 3.495 10.940 1.00 0.00 H new ATOM 0 H8 DA B 2 13.179 5.254 7.581 1.00 0.00 H new ATOM 0 H61 DA B 2 8.962 0.892 6.743 1.00 0.00 H new ATOM 0 H62 DA B 2 9.794 2.296 6.065 1.00 0.00 H new ATOM 0 H2 DA B 2 10.661 0.412 10.919 1.00 0.00 H new ATOM 322 P DG B 3 15.572 5.548 13.030 1.00 0.00 P ATOM 323 OP1 DG B 3 14.181 5.919 13.393 1.00 0.00 O ATOM 324 OP2 DG B 3 16.682 5.955 13.929 1.00 0.00 O ATOM 325 O5' DG B 3 15.627 3.947 12.909 1.00 0.00 O ATOM 326 C5' DG B 3 15.568 3.076 14.057 1.00 0.00 C ATOM 327 C4' DG B 3 15.766 1.636 13.618 1.00 0.00 C ATOM 328 O4' DG B 3 14.815 1.382 12.599 1.00 0.00 O ATOM 329 C3' DG B 3 17.074 1.390 12.873 1.00 0.00 C ATOM 330 O3' DG B 3 18.217 1.219 13.719 1.00 0.00 O ATOM 331 C2' DG B 3 16.740 0.173 12.018 1.00 0.00 C ATOM 332 C1' DG B 3 15.215 0.106 12.115 1.00 0.00 C ATOM 333 N9 DG B 3 14.540 0.013 10.844 1.00 0.00 N ATOM 334 C8 DG B 3 13.486 -0.769 10.505 1.00 0.00 C ATOM 335 N7 DG B 3 13.082 -0.588 9.278 1.00 0.00 N ATOM 336 C5 DG B 3 13.944 0.381 8.791 1.00 0.00 C ATOM 337 C6 DG B 3 14.012 0.988 7.528 1.00 0.00 C ATOM 338 O6 DG B 3 13.270 0.759 6.585 1.00 0.00 O ATOM 339 N1 DG B 3 15.043 1.917 7.458 1.00 0.00 N ATOM 340 C2 DG B 3 15.896 2.210 8.493 1.00 0.00 C ATOM 341 N2 DG B 3 16.860 3.105 8.297 1.00 0.00 N ATOM 342 N3 DG B 3 15.835 1.647 9.685 1.00 0.00 N ATOM 343 C4 DG B 3 14.846 0.752 9.755 1.00 0.00 C ATOM 0 H5' DG B 3 14.606 3.184 14.559 1.00 0.00 H new ATOM 0 H5'' DG B 3 16.337 3.356 14.777 1.00 0.00 H new ATOM 0 H4' DG B 3 15.711 1.035 14.526 1.00 0.00 H new ATOM 0 H3' DG B 3 17.391 2.250 12.284 1.00 0.00 H new ATOM 0 H2' DG B 3 17.076 0.296 10.988 1.00 0.00 H new ATOM 0 H2'' DG B 3 17.211 -0.733 12.400 1.00 0.00 H new ATOM 0 H1' DG B 3 14.968 -0.768 12.718 1.00 0.00 H new ATOM 0 H8 DG B 3 13.026 -1.472 11.184 1.00 0.00 H new ATOM 0 H1 DG B 3 15.175 2.415 6.578 1.00 0.00 H new ATOM 0 H21 DG B 3 17.503 3.336 9.054 1.00 0.00 H new ATOM 0 H22 DG B 3 16.956 3.561 7.390 1.00 0.00 H new ATOM 355 P DC B 4 18.227 0.159 14.929 1.00 0.00 P ATOM 356 OP1 DC B 4 17.142 0.498 15.885 1.00 0.00 O ATOM 357 OP2 DC B 4 19.622 0.022 15.416 1.00 0.00 O ATOM 358 O5' DC B 4 17.823 -1.161 14.127 1.00 0.00 O ATOM 359 C5' DC B 4 16.951 -2.195 14.572 1.00 0.00 C ATOM 360 C4' DC B 4 16.648 -3.129 13.410 1.00 0.00 C ATOM 361 O4' DC B 4 15.825 -2.612 12.333 1.00 0.00 O ATOM 362 C3' DC B 4 17.897 -3.472 12.600 1.00 0.00 C ATOM 363 O3' DC B 4 19.019 -4.208 13.084 1.00 0.00 O ATOM 364 C2' DC B 4 17.357 -3.954 11.273 1.00 0.00 C ATOM 365 C1' DC B 4 15.870 -3.556 11.234 1.00 0.00 C ATOM 366 N1 DC B 4 15.608 -2.971 9.898 1.00 0.00 N ATOM 367 C2 DC B 4 14.593 -3.423 9.029 1.00 0.00 C ATOM 368 O2 DC B 4 13.788 -4.311 9.311 1.00 0.00 O ATOM 369 N3 DC B 4 14.498 -2.839 7.811 1.00 0.00 N ATOM 370 C4 DC B 4 15.339 -1.866 7.446 1.00 0.00 C ATOM 371 N4 DC B 4 15.207 -1.326 6.238 1.00 0.00 N ATOM 372 C5 DC B 4 16.358 -1.406 8.315 1.00 0.00 C ATOM 373 C6 DC B 4 16.450 -1.971 9.502 1.00 0.00 C ATOM 0 H5' DC B 4 16.027 -1.766 14.960 1.00 0.00 H new ATOM 0 H5'' DC B 4 17.412 -2.750 15.389 1.00 0.00 H new ATOM 0 H4' DC B 4 16.162 -3.935 13.960 1.00 0.00 H new ATOM 0 H3' DC B 4 18.482 -2.552 12.613 1.00 0.00 H new ATOM 0 H2' DC B 4 17.902 -3.500 10.445 1.00 0.00 H new ATOM 0 H2'' DC B 4 17.472 -5.034 11.177 1.00 0.00 H new ATOM 0 H1' DC B 4 15.119 -4.337 11.351 1.00 0.00 H new ATOM 0 H41 DC B 4 15.838 -0.582 5.940 1.00 0.00 H new ATOM 0 H42 DC B 4 14.474 -1.655 5.609 1.00 0.00 H new ATOM 0 H5 DC B 4 17.036 -0.620 8.016 1.00 0.00 H new ATOM 0 H6 DC B 4 17.216 -1.632 10.184 1.00 0.00 H new ATOM 385 P DA B 5 20.446 -3.492 13.367 1.00 0.00 P ATOM 386 OP1 DA B 5 21.396 -4.575 13.727 1.00 0.00 O ATOM 387 OP2 DA B 5 20.224 -2.393 14.337 1.00 0.00 O ATOM 388 O5' DA B 5 20.998 -2.832 11.993 1.00 0.00 O ATOM 389 C5' DA B 5 20.337 -1.879 11.138 1.00 0.00 C ATOM 390 C4' DA B 5 21.160 -1.630 9.890 1.00 0.00 C ATOM 391 O4' DA B 5 21.685 -2.859 9.388 1.00 0.00 O ATOM 392 C3' DA B 5 20.614 -0.949 8.652 1.00 0.00 C ATOM 393 O3' DA B 5 21.612 -0.531 7.696 1.00 0.00 O ATOM 394 C2' DA B 5 19.862 -2.095 8.046 1.00 0.00 C ATOM 395 C1' DA B 5 20.770 -3.276 8.367 1.00 0.00 C ATOM 396 N9 DA B 5 19.980 -4.435 8.788 1.00 0.00 N ATOM 397 C8 DA B 5 20.118 -5.279 9.859 1.00 0.00 C ATOM 398 N7 DA B 5 19.205 -6.225 9.894 1.00 0.00 N ATOM 399 C5 DA B 5 18.422 -5.973 8.772 1.00 0.00 C ATOM 400 C6 DA B 5 17.288 -6.595 8.221 1.00 0.00 C ATOM 401 N6 DA B 5 16.699 -7.670 8.753 1.00 0.00 N ATOM 402 N1 DA B 5 16.782 -6.061 7.095 1.00 0.00 N ATOM 403 C2 DA B 5 17.373 -4.980 6.562 1.00 0.00 C ATOM 404 N3 DA B 5 18.430 -4.322 6.987 1.00 0.00 N ATOM 405 C4 DA B 5 18.901 -4.878 8.101 1.00 0.00 C ATOM 0 H5' DA B 5 20.186 -0.942 11.675 1.00 0.00 H new ATOM 0 H5'' DA B 5 19.350 -2.251 10.862 1.00 0.00 H new ATOM 0 H4' DA B 5 21.840 -0.900 10.328 1.00 0.00 H new ATOM 0 H3' DA B 5 20.071 -0.036 8.898 1.00 0.00 H new ATOM 0 H2' DA B 5 18.871 -2.211 8.486 1.00 0.00 H new ATOM 0 H2'' DA B 5 19.721 -1.969 6.973 1.00 0.00 H new ATOM 0 H1' DA B 5 21.327 -3.584 7.482 1.00 0.00 H new ATOM 0 H8 DA B 5 20.898 -5.177 10.599 1.00 0.00 H new ATOM 0 H61 DA B 5 15.877 -8.076 8.305 1.00 0.00 H new ATOM 0 H62 DA B 5 17.071 -8.085 9.607 1.00 0.00 H new ATOM 0 H2 DA B 5 16.918 -4.598 5.660 1.00 0.00 H new ATOM 417 P DG B 6 23.165 -0.194 8.011 1.00 0.00 P ATOM 418 OP1 DG B 6 23.823 -1.439 8.480 1.00 0.00 O ATOM 419 OP2 DG B 6 23.214 1.017 8.870 1.00 0.00 O ATOM 420 O5' DG B 6 23.799 0.154 6.584 1.00 0.00 O ATOM 421 C5' DG B 6 24.008 1.438 5.987 1.00 0.00 C ATOM 422 C4' DG B 6 22.756 2.287 5.865 1.00 0.00 C ATOM 423 O4' DG B 6 21.692 1.492 5.324 1.00 0.00 O ATOM 424 C3' DG B 6 22.133 2.983 7.109 1.00 0.00 C ATOM 425 O3' DG B 6 22.005 4.411 7.030 1.00 0.00 O ATOM 426 C2' DG B 6 20.731 2.427 7.052 1.00 0.00 C ATOM 427 C1' DG B 6 20.513 2.271 5.533 1.00 0.00 C ATOM 428 N9 DG B 6 19.339 1.475 5.205 1.00 0.00 N ATOM 429 C8 DG B 6 18.772 0.599 6.068 1.00 0.00 C ATOM 430 N7 DG B 6 17.712 0.018 5.631 1.00 0.00 N ATOM 431 C5 DG B 6 17.557 0.551 4.372 1.00 0.00 C ATOM 432 C6 DG B 6 16.566 0.276 3.447 1.00 0.00 C ATOM 433 O6 DG B 6 15.655 -0.507 3.635 1.00 0.00 O ATOM 434 N1 DG B 6 16.703 0.981 2.278 1.00 0.00 N ATOM 435 C2 DG B 6 17.706 1.873 2.024 1.00 0.00 C ATOM 436 N2 DG B 6 17.645 2.451 0.811 1.00 0.00 N ATOM 437 N3 DG B 6 18.686 2.164 2.908 1.00 0.00 N ATOM 438 C4 DG B 6 18.548 1.462 4.064 1.00 0.00 C ATOM 0 H5' DG B 6 24.435 1.298 4.994 1.00 0.00 H new ATOM 0 H5'' DG B 6 24.745 1.983 6.577 1.00 0.00 H new ATOM 0 H4' DG B 6 23.143 3.100 5.251 1.00 0.00 H new ATOM 0 H3' DG B 6 22.745 2.806 7.993 1.00 0.00 H new ATOM 0 H2' DG B 6 20.647 1.475 7.577 1.00 0.00 H new ATOM 0 H2'' DG B 6 20.004 3.104 7.502 1.00 0.00 H new ATOM 0 H1' DG B 6 20.364 3.189 4.965 1.00 0.00 H new ATOM 0 H8 DG B 6 19.179 0.403 7.049 1.00 0.00 H new ATOM 0 H1 DG B 6 16.007 0.828 1.548 1.00 0.00 H new ATOM 0 H21 DG B 6 18.353 3.131 0.534 1.00 0.00 H new ATOM 0 H22 DG B 6 16.891 2.209 0.168 1.00 0.00 H new ATOM 450 P DG B 7 23.027 5.383 6.259 1.00 0.00 P ATOM 451 OP1 DG B 7 24.414 4.959 6.578 1.00 0.00 O ATOM 452 OP2 DG B 7 22.613 6.788 6.497 1.00 0.00 O ATOM 453 O5' DG B 7 22.715 4.977 4.736 1.00 0.00 O ATOM 454 C5' DG B 7 22.601 5.841 3.606 1.00 0.00 C ATOM 455 C4' DG B 7 21.186 6.366 3.430 1.00 0.00 C ATOM 456 O4' DG B 7 20.222 5.285 3.396 1.00 0.00 O ATOM 457 C3' DG B 7 20.633 7.350 4.492 1.00 0.00 C ATOM 458 O3' DG B 7 19.885 8.451 3.956 1.00 0.00 O ATOM 459 C2' DG B 7 19.638 6.412 5.161 1.00 0.00 C ATOM 460 C1' DG B 7 18.996 5.836 3.899 1.00 0.00 C ATOM 461 N9 DG B 7 17.965 4.874 4.291 1.00 0.00 N ATOM 462 C8 DG B 7 17.876 4.205 5.484 1.00 0.00 C ATOM 463 N7 DG B 7 16.827 3.456 5.574 1.00 0.00 N ATOM 464 C5 DG B 7 16.172 3.626 4.384 1.00 0.00 C ATOM 465 C6 DG B 7 14.976 3.043 3.954 1.00 0.00 C ATOM 466 O6 DG B 7 14.300 2.262 4.613 1.00 0.00 O ATOM 467 N1 DG B 7 14.624 3.453 2.684 1.00 0.00 N ATOM 468 C2 DG B 7 15.371 4.338 1.931 1.00 0.00 C ATOM 469 N2 DG B 7 14.934 4.664 0.715 1.00 0.00 N ATOM 470 N3 DG B 7 16.514 4.902 2.334 1.00 0.00 N ATOM 471 C4 DG B 7 16.854 4.501 3.567 1.00 0.00 C ATOM 0 H5' DG B 7 22.902 5.303 2.707 1.00 0.00 H new ATOM 0 H5'' DG B 7 23.287 6.680 3.721 1.00 0.00 H new ATOM 0 H4' DG B 7 21.295 6.915 2.495 1.00 0.00 H new ATOM 0 H3' DG B 7 21.419 7.815 5.087 1.00 0.00 H new ATOM 0 H2' DG B 7 20.119 5.652 5.777 1.00 0.00 H new ATOM 0 H2'' DG B 7 18.925 6.935 5.799 1.00 0.00 H new ATOM 0 H1' DG B 7 18.455 6.467 3.194 1.00 0.00 H new ATOM 0 H8 DG B 7 18.610 4.295 6.271 1.00 0.00 H new ATOM 0 H1 DG B 7 13.765 3.082 2.279 1.00 0.00 H new ATOM 0 H21 DG B 7 15.467 5.315 0.139 1.00 0.00 H new ATOM 0 H22 DG B 7 14.066 4.262 0.360 1.00 0.00 H new ATOM 483 P DT B 8 20.439 9.440 2.816 1.00 0.00 P ATOM 484 OP1 DT B 8 21.924 9.378 2.825 1.00 0.00 O ATOM 485 OP2 DT B 8 19.764 10.751 2.981 1.00 0.00 O ATOM 486 O5' DT B 8 19.924 8.732 1.468 1.00 0.00 O ATOM 487 C5' DT B 8 19.513 9.376 0.255 1.00 0.00 C ATOM 488 C4' DT B 8 18.040 9.751 0.303 1.00 0.00 C ATOM 489 O4' DT B 8 17.255 8.603 0.637 1.00 0.00 O ATOM 490 C3' DT B 8 17.579 10.833 1.233 1.00 0.00 C ATOM 491 O3' DT B 8 18.004 12.132 0.876 1.00 0.00 O ATOM 492 C2' DT B 8 16.077 10.614 1.104 1.00 0.00 C ATOM 493 C1' DT B 8 15.952 9.075 1.020 1.00 0.00 C ATOM 494 N1 DT B 8 15.591 8.398 2.269 1.00 0.00 N ATOM 495 C2 DT B 8 14.602 7.441 2.318 1.00 0.00 C ATOM 496 O2 DT B 8 13.956 7.109 1.327 1.00 0.00 O ATOM 497 N3 DT B 8 14.385 6.898 3.575 1.00 0.00 N ATOM 498 C4 DT B 8 15.030 7.209 4.744 1.00 0.00 C ATOM 499 O4 DT B 8 14.743 6.647 5.801 1.00 0.00 O ATOM 500 C5 DT B 8 16.035 8.220 4.580 1.00 0.00 C ATOM 501 C7 DT B 8 16.838 8.762 5.715 1.00 0.00 C ATOM 502 C6 DT B 8 16.255 8.734 3.390 1.00 0.00 C ATOM 0 H5' DT B 8 19.695 8.713 -0.591 1.00 0.00 H new ATOM 0 H5'' DT B 8 20.114 10.271 0.094 1.00 0.00 H new ATOM 0 H4' DT B 8 17.903 10.151 -0.702 1.00 0.00 H new ATOM 0 H3' DT B 8 17.978 10.776 2.246 1.00 0.00 H new ATOM 0 H2' DT B 8 15.536 11.016 1.961 1.00 0.00 H new ATOM 0 H2'' DT B 8 15.674 11.100 0.216 1.00 0.00 H new ATOM 0 HO3' DT B 8 17.663 12.779 1.528 1.00 0.00 H new ATOM 0 H1' DT B 8 15.145 8.851 0.323 1.00 0.00 H new ATOM 0 H3 DT B 8 13.660 6.183 3.637 1.00 0.00 H new ATOM 0 H71 DT B 8 17.820 9.068 5.353 1.00 0.00 H new ATOM 0 H72 DT B 8 16.326 9.623 6.145 1.00 0.00 H new ATOM 0 H73 DT B 8 16.956 7.992 6.478 1.00 0.00 H new ATOM 0 H6 DT B 8 17.028 9.483 3.306 1.00 0.00 H new TER 516 DT B 8