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 50:sc= 1.23 USER MOD Single : A 8 DT C7 :methyl 150:sc= -6.13! (180deg=-6.13!) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 23:sc= 1.35 USER MOD Single : B 8 DT C7 :methyl 150:sc= -6.11! (180deg=-6.11!) USER MOD Single : B 8 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.763 8.875 3.094 1.00 0.00 O ATOM 2 C5' DG A 1 7.016 7.485 2.883 1.00 0.00 C ATOM 3 C4' DG A 1 8.127 6.931 3.759 1.00 0.00 C ATOM 4 O4' DG A 1 9.412 7.429 3.332 1.00 0.00 O ATOM 5 C3' DG A 1 8.085 7.153 5.307 1.00 0.00 C ATOM 6 O3' DG A 1 7.115 6.365 6.011 1.00 0.00 O ATOM 7 C2' DG A 1 9.494 6.697 5.623 1.00 0.00 C ATOM 8 C1' DG A 1 10.118 7.570 4.562 1.00 0.00 C ATOM 9 N9 DG A 1 10.399 8.953 4.927 1.00 0.00 N ATOM 10 C8 DG A 1 11.191 9.280 5.964 1.00 0.00 C ATOM 11 N7 DG A 1 11.291 10.563 6.187 1.00 0.00 N ATOM 12 C5 DG A 1 10.484 11.124 5.205 1.00 0.00 C ATOM 13 C6 DG A 1 10.186 12.485 4.932 1.00 0.00 C ATOM 14 O6 DG A 1 10.591 13.482 5.526 1.00 0.00 O ATOM 15 N1 DG A 1 9.331 12.616 3.855 1.00 0.00 N ATOM 16 C2 DG A 1 8.822 11.573 3.126 1.00 0.00 C ATOM 17 N2 DG A 1 8.006 11.883 2.115 1.00 0.00 N ATOM 18 N3 DG A 1 9.092 10.288 3.370 1.00 0.00 N ATOM 19 C4 DG A 1 9.923 10.137 4.415 1.00 0.00 C ATOM 0 H5' DG A 1 7.276 7.326 1.836 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.101 6.924 3.073 1.00 0.00 H new ATOM 0 H4' DG A 1 7.961 5.864 3.612 1.00 0.00 H new ATOM 0 H3' DG A 1 7.799 8.163 5.602 1.00 0.00 H new ATOM 0 H2' DG A 1 9.819 6.930 6.637 1.00 0.00 H new ATOM 0 H2'' DG A 1 9.659 5.630 5.473 1.00 0.00 H new ATOM 0 HO5' DG A 1 7.607 9.372 3.049 1.00 0.00 H new ATOM 0 H1' DG A 1 11.130 7.186 4.434 1.00 0.00 H new ATOM 0 H8 DG A 1 11.703 8.542 6.563 1.00 0.00 H new ATOM 0 H1 DG A 1 9.058 13.560 3.582 1.00 0.00 H new ATOM 0 H21 DG A 1 7.601 11.143 1.542 1.00 0.00 H new ATOM 0 H22 DG A 1 7.788 12.860 1.916 1.00 0.00 H new ATOM 32 P DA A 2 5.537 6.444 5.688 1.00 0.00 P ATOM 33 OP1 DA A 2 5.207 7.859 5.378 1.00 0.00 O ATOM 34 OP2 DA A 2 4.793 5.755 6.768 1.00 0.00 O ATOM 35 O5' DA A 2 5.348 5.596 4.334 1.00 0.00 O ATOM 36 C5' DA A 2 5.351 4.167 4.225 1.00 0.00 C ATOM 37 C4' DA A 2 5.509 3.802 2.757 1.00 0.00 C ATOM 38 O4' DA A 2 6.707 4.337 2.221 1.00 0.00 O ATOM 39 C3' DA A 2 5.468 2.375 2.237 1.00 0.00 C ATOM 40 O3' DA A 2 4.865 2.377 0.920 1.00 0.00 O ATOM 41 C2' DA A 2 6.924 2.006 2.244 1.00 0.00 C ATOM 42 C1' DA A 2 7.654 3.301 1.947 1.00 0.00 C ATOM 43 N9 DA A 2 8.726 3.561 2.909 1.00 0.00 N ATOM 44 C8 DA A 2 8.790 3.249 4.256 1.00 0.00 C ATOM 45 N7 DA A 2 9.898 3.641 4.815 1.00 0.00 N ATOM 46 C5 DA A 2 10.603 4.239 3.791 1.00 0.00 C ATOM 47 C6 DA A 2 11.848 4.850 3.760 1.00 0.00 C ATOM 48 N6 DA A 2 12.589 4.970 4.868 1.00 0.00 N ATOM 49 N1 DA A 2 12.257 5.339 2.585 1.00 0.00 N ATOM 50 C2 DA A 2 11.466 5.228 1.508 1.00 0.00 C ATOM 51 N3 DA A 2 10.262 4.671 1.419 1.00 0.00 N ATOM 52 C4 DA A 2 9.896 4.194 2.614 1.00 0.00 C ATOM 0 H5' DA A 2 4.424 3.754 4.622 1.00 0.00 H new ATOM 0 H5'' DA A 2 6.166 3.743 4.812 1.00 0.00 H new ATOM 0 H4' DA A 2 4.560 4.229 2.432 1.00 0.00 H new ATOM 0 H3' DA A 2 4.875 1.664 2.812 1.00 0.00 H new ATOM 0 H2' DA A 2 7.223 1.596 3.208 1.00 0.00 H new ATOM 0 H2'' DA A 2 7.143 1.247 1.493 1.00 0.00 H new ATOM 0 H1' DA A 2 8.053 3.255 0.934 1.00 0.00 H new ATOM 0 H8 DA A 2 8.003 2.734 4.787 1.00 0.00 H new ATOM 0 H61 DA A 2 13.502 5.423 4.824 1.00 0.00 H new ATOM 0 H62 DA A 2 12.241 4.609 5.756 1.00 0.00 H new ATOM 0 H2 DA A 2 11.858 5.646 0.593 1.00 0.00 H new ATOM 64 P DG A 3 5.421 1.825 -0.504 1.00 0.00 P ATOM 65 OP1 DG A 3 4.249 1.648 -1.399 1.00 0.00 O ATOM 66 OP2 DG A 3 6.306 0.661 -0.236 1.00 0.00 O ATOM 67 O5' DG A 3 6.328 3.014 -1.115 1.00 0.00 O ATOM 68 C5' DG A 3 6.662 3.163 -2.513 1.00 0.00 C ATOM 69 C4' DG A 3 8.008 2.533 -2.844 1.00 0.00 C ATOM 70 O4' DG A 3 8.972 3.030 -1.920 1.00 0.00 O ATOM 71 C3' DG A 3 8.118 1.039 -2.585 1.00 0.00 C ATOM 72 O3' DG A 3 7.474 0.187 -3.540 1.00 0.00 O ATOM 73 C2' DG A 3 9.613 0.852 -2.530 1.00 0.00 C ATOM 74 C1' DG A 3 10.140 2.255 -2.199 1.00 0.00 C ATOM 75 N9 DG A 3 10.951 2.291 -0.997 1.00 0.00 N ATOM 76 C8 DG A 3 12.110 2.960 -0.759 1.00 0.00 C ATOM 77 N7 DG A 3 12.574 2.793 0.452 1.00 0.00 N ATOM 78 C5 DG A 3 11.643 1.946 1.035 1.00 0.00 C ATOM 79 C6 DG A 3 11.586 1.397 2.328 1.00 0.00 C ATOM 80 O6 DG A 3 12.392 1.592 3.227 1.00 0.00 O ATOM 81 N1 DG A 3 10.469 0.583 2.493 1.00 0.00 N ATOM 82 C2 DG A 3 9.534 0.347 1.514 1.00 0.00 C ATOM 83 N2 DG A 3 8.510 -0.462 1.760 1.00 0.00 N ATOM 84 N3 DG A 3 9.579 0.862 0.305 1.00 0.00 N ATOM 85 C4 DG A 3 10.649 1.639 0.142 1.00 0.00 C ATOM 0 H5' DG A 3 6.683 4.222 -2.771 1.00 0.00 H new ATOM 0 H5'' DG A 3 5.885 2.702 -3.123 1.00 0.00 H new ATOM 0 H4' DG A 3 8.146 2.758 -3.902 1.00 0.00 H new ATOM 0 H3' DG A 3 7.587 0.741 -1.681 1.00 0.00 H new ATOM 0 H2' DG A 3 9.899 0.126 -1.768 1.00 0.00 H new ATOM 0 H2'' DG A 3 10.007 0.489 -3.479 1.00 0.00 H new ATOM 0 H1' DG A 3 10.755 2.610 -3.026 1.00 0.00 H new ATOM 0 H8 DG A 3 12.602 3.572 -1.501 1.00 0.00 H new ATOM 0 H1 DG A 3 10.336 0.133 3.399 1.00 0.00 H new ATOM 0 H21 DG A 3 7.814 -0.639 1.035 1.00 0.00 H new ATOM 0 H22 DG A 3 8.419 -0.906 2.674 1.00 0.00 H new ATOM 97 P DC A 4 7.765 0.271 -5.123 1.00 0.00 P ATOM 98 OP1 DC A 4 7.371 1.616 -5.614 1.00 0.00 O ATOM 99 OP2 DC A 4 7.200 -0.944 -5.763 1.00 0.00 O ATOM 100 O5' DC A 4 9.357 0.149 -5.152 1.00 0.00 O ATOM 101 C5' DC A 4 10.271 0.962 -5.890 1.00 0.00 C ATOM 102 C4' DC A 4 11.681 0.718 -5.369 1.00 0.00 C ATOM 103 O4' DC A 4 11.968 1.199 -4.032 1.00 0.00 O ATOM 104 C3' DC A 4 11.936 -0.767 -5.147 1.00 0.00 C ATOM 105 O3' DC A 4 11.880 -1.703 -6.221 1.00 0.00 O ATOM 106 C2' DC A 4 13.153 -0.768 -4.233 1.00 0.00 C ATOM 107 C1' DC A 4 13.217 0.626 -3.585 1.00 0.00 C ATOM 108 N1 DC A 4 13.325 0.365 -2.136 1.00 0.00 N ATOM 109 C2 DC A 4 14.390 0.819 -1.344 1.00 0.00 C ATOM 110 O2 DC A 4 15.292 1.531 -1.785 1.00 0.00 O ATOM 111 N3 DC A 4 14.415 0.451 -0.040 1.00 0.00 N ATOM 112 C4 DC A 4 13.452 -0.324 0.476 1.00 0.00 C ATOM 113 N4 DC A 4 13.528 -0.667 1.764 1.00 0.00 N ATOM 114 C5 DC A 4 12.376 -0.778 -0.324 1.00 0.00 C ATOM 115 C6 DC A 4 12.356 -0.413 -1.590 1.00 0.00 C ATOM 0 H5' DC A 4 10.008 2.015 -5.786 1.00 0.00 H new ATOM 0 H5'' DC A 4 10.215 0.723 -6.952 1.00 0.00 H new ATOM 0 H4' DC A 4 12.270 1.226 -6.132 1.00 0.00 H new ATOM 0 H3' DC A 4 11.058 -1.238 -4.705 1.00 0.00 H new ATOM 0 H2' DC A 4 13.066 -1.545 -3.473 1.00 0.00 H new ATOM 0 H2'' DC A 4 14.062 -0.975 -4.798 1.00 0.00 H new ATOM 0 H1' DC A 4 14.036 1.301 -3.832 1.00 0.00 H new ATOM 0 H41 DC A 4 12.806 -1.256 2.178 1.00 0.00 H new ATOM 0 H42 DC A 4 14.308 -0.340 2.334 1.00 0.00 H new ATOM 0 H5 DC A 4 11.598 -1.402 0.089 1.00 0.00 H new ATOM 0 H6 DC A 4 11.540 -0.744 -2.215 1.00 0.00 H new ATOM 127 P DA A 5 11.504 -3.276 -6.053 1.00 0.00 P ATOM 128 OP1 DA A 5 12.757 -4.003 -5.750 1.00 0.00 O ATOM 129 OP2 DA A 5 10.767 -3.645 -7.288 1.00 0.00 O ATOM 130 O5' DA A 5 10.454 -3.516 -4.828 1.00 0.00 O ATOM 131 C5' DA A 5 10.640 -3.371 -3.403 1.00 0.00 C ATOM 132 C4' DA A 5 11.325 -4.547 -2.698 1.00 0.00 C ATOM 133 O4' DA A 5 12.597 -4.882 -3.305 1.00 0.00 O ATOM 134 C3' DA A 5 11.659 -4.354 -1.233 1.00 0.00 C ATOM 135 O3' DA A 5 11.838 -5.521 -0.409 1.00 0.00 O ATOM 136 C2' DA A 5 13.002 -3.704 -1.337 1.00 0.00 C ATOM 137 C1' DA A 5 13.662 -4.574 -2.376 1.00 0.00 C ATOM 138 N9 DA A 5 14.758 -3.796 -2.965 1.00 0.00 N ATOM 139 C8 DA A 5 15.026 -3.506 -4.272 1.00 0.00 C ATOM 140 N7 DA A 5 16.097 -2.767 -4.440 1.00 0.00 N ATOM 141 C5 DA A 5 16.559 -2.559 -3.147 1.00 0.00 C ATOM 142 C6 DA A 5 17.656 -1.858 -2.616 1.00 0.00 C ATOM 143 N6 DA A 5 18.543 -1.192 -3.363 1.00 0.00 N ATOM 144 N1 DA A 5 17.808 -1.863 -1.280 1.00 0.00 N ATOM 145 C2 DA A 5 16.923 -2.525 -0.520 1.00 0.00 C ATOM 146 N3 DA A 5 15.860 -3.216 -0.906 1.00 0.00 N ATOM 147 C4 DA A 5 15.742 -3.188 -2.239 1.00 0.00 C ATOM 0 H5' DA A 5 9.665 -3.213 -2.942 1.00 0.00 H new ATOM 0 H5'' DA A 5 11.227 -2.471 -3.222 1.00 0.00 H new ATOM 0 H4' DA A 5 10.565 -5.321 -2.801 1.00 0.00 H new ATOM 0 H3' DA A 5 10.830 -3.834 -0.753 1.00 0.00 H new ATOM 0 H2' DA A 5 12.933 -2.663 -1.654 1.00 0.00 H new ATOM 0 H2'' DA A 5 13.540 -3.714 -0.389 1.00 0.00 H new ATOM 0 H1' DA A 5 14.104 -5.500 -2.009 1.00 0.00 H new ATOM 0 H8 DA A 5 14.413 -3.853 -5.091 1.00 0.00 H new ATOM 0 H61 DA A 5 19.319 -0.702 -2.918 1.00 0.00 H new ATOM 0 H62 DA A 5 18.444 -1.174 -4.378 1.00 0.00 H new ATOM 0 H2 DA A 5 17.100 -2.490 0.545 1.00 0.00 H new ATOM 159 P DG A 6 11.806 -7.078 -0.832 1.00 0.00 P ATOM 160 OP1 DG A 6 12.314 -7.855 0.328 1.00 0.00 O ATOM 161 OP2 DG A 6 12.459 -7.255 -2.153 1.00 0.00 O ATOM 162 O5' DG A 6 10.239 -7.394 -1.016 1.00 0.00 O ATOM 163 C5' DG A 6 9.547 -8.239 -0.096 1.00 0.00 C ATOM 164 C4' DG A 6 9.066 -7.486 1.127 1.00 0.00 C ATOM 165 O4' DG A 6 10.121 -6.739 1.758 1.00 0.00 O ATOM 166 C3' DG A 6 7.903 -6.492 1.010 1.00 0.00 C ATOM 167 O3' DG A 6 6.949 -6.695 2.051 1.00 0.00 O ATOM 168 C2' DG A 6 8.608 -5.217 1.335 1.00 0.00 C ATOM 169 C1' DG A 6 9.526 -5.656 2.485 1.00 0.00 C ATOM 170 N9 DG A 6 10.554 -4.667 2.767 1.00 0.00 N ATOM 171 C8 DG A 6 10.956 -3.742 1.872 1.00 0.00 C ATOM 172 N7 DG A 6 11.860 -2.933 2.281 1.00 0.00 N ATOM 173 C5 DG A 6 12.079 -3.354 3.569 1.00 0.00 C ATOM 174 C6 DG A 6 12.963 -2.830 4.487 1.00 0.00 C ATOM 175 O6 DG A 6 13.690 -1.881 4.259 1.00 0.00 O ATOM 176 N1 DG A 6 12.935 -3.488 5.692 1.00 0.00 N ATOM 177 C2 DG A 6 12.121 -4.552 5.974 1.00 0.00 C ATOM 178 N2 DG A 6 12.240 -5.049 7.212 1.00 0.00 N ATOM 179 N3 DG A 6 11.249 -5.082 5.097 1.00 0.00 N ATOM 180 C4 DG A 6 11.284 -4.429 3.912 1.00 0.00 C ATOM 0 H5' DG A 6 10.206 -9.050 0.215 1.00 0.00 H new ATOM 0 H5'' DG A 6 8.694 -8.696 -0.597 1.00 0.00 H new ATOM 0 H4' DG A 6 8.693 -8.339 1.694 1.00 0.00 H new ATOM 0 H3' DG A 6 7.380 -6.552 0.056 1.00 0.00 H new ATOM 0 H2' DG A 6 9.171 -4.832 0.485 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.916 -4.432 1.640 1.00 0.00 H new ATOM 0 H1' DG A 6 9.051 -5.847 3.447 1.00 0.00 H new ATOM 0 H8 DG A 6 10.543 -3.687 0.876 1.00 0.00 H new ATOM 0 H1 DG A 6 13.563 -3.162 6.427 1.00 0.00 H new ATOM 0 H21 DG A 6 11.668 -5.843 7.500 1.00 0.00 H new ATOM 0 H22 DG A 6 12.903 -4.634 7.867 1.00 0.00 H new ATOM 192 P DG A 7 6.173 -8.074 2.351 1.00 0.00 P ATOM 193 OP1 DG A 7 7.151 -9.189 2.414 1.00 0.00 O ATOM 194 OP2 DG A 7 5.002 -8.164 1.442 1.00 0.00 O ATOM 195 O5' DG A 7 5.653 -7.785 3.835 1.00 0.00 O ATOM 196 C5' DG A 7 4.895 -6.604 4.056 1.00 0.00 C ATOM 197 C4' DG A 7 5.421 -5.790 5.221 1.00 0.00 C ATOM 198 O4' DG A 7 6.845 -5.431 5.159 1.00 0.00 O ATOM 199 C3' DG A 7 4.665 -4.454 5.301 1.00 0.00 C ATOM 200 O3' DG A 7 4.508 -3.979 6.640 1.00 0.00 O ATOM 201 C2' DG A 7 5.741 -3.625 4.606 1.00 0.00 C ATOM 202 C1' DG A 7 6.911 -4.033 5.507 1.00 0.00 C ATOM 203 N9 DG A 7 8.062 -3.165 5.196 1.00 0.00 N ATOM 204 C8 DG A 7 8.327 -2.632 3.965 1.00 0.00 C ATOM 205 N7 DG A 7 9.335 -1.827 3.954 1.00 0.00 N ATOM 206 C5 DG A 7 9.791 -1.805 5.241 1.00 0.00 C ATOM 207 C6 DG A 7 10.872 -1.080 5.759 1.00 0.00 C ATOM 208 O6 DG A 7 11.578 -0.316 5.108 1.00 0.00 O ATOM 209 N1 DG A 7 11.053 -1.301 7.108 1.00 0.00 N ATOM 210 C2 DG A 7 10.253 -2.139 7.852 1.00 0.00 C ATOM 211 N2 DG A 7 10.561 -2.257 9.145 1.00 0.00 N ATOM 212 N3 DG A 7 9.208 -2.838 7.369 1.00 0.00 N ATOM 213 C4 DG A 7 9.031 -2.626 6.050 1.00 0.00 C ATOM 0 H5' DG A 7 3.855 -6.873 4.244 1.00 0.00 H new ATOM 0 H5'' DG A 7 4.908 -5.993 3.154 1.00 0.00 H new ATOM 0 H4' DG A 7 5.274 -6.443 6.081 1.00 0.00 H new ATOM 0 H3' DG A 7 3.651 -4.460 4.901 1.00 0.00 H new ATOM 0 H2' DG A 7 5.887 -3.902 3.562 1.00 0.00 H new ATOM 0 H2'' DG A 7 5.537 -2.554 4.627 1.00 0.00 H new ATOM 0 H1' DG A 7 6.941 -3.914 6.590 1.00 0.00 H new ATOM 0 H8 DG A 7 7.747 -2.863 3.084 1.00 0.00 H new ATOM 0 H1 DG A 7 11.819 -0.819 7.579 1.00 0.00 H new ATOM 0 H21 DG A 7 10.005 -2.863 9.748 1.00 0.00 H new ATOM 0 H22 DG A 7 11.352 -1.741 9.530 1.00 0.00 H new ATOM 225 P DT A 8 3.129 -4.038 7.454 1.00 0.00 P ATOM 226 OP1 DT A 8 2.556 -5.403 7.326 1.00 0.00 O ATOM 227 OP2 DT A 8 2.310 -2.855 7.087 1.00 0.00 O ATOM 228 O5' DT A 8 3.663 -3.836 8.951 1.00 0.00 O ATOM 229 C5' DT A 8 4.341 -4.911 9.594 1.00 0.00 C ATOM 230 C4' DT A 8 5.268 -4.471 10.710 1.00 0.00 C ATOM 231 O4' DT A 8 6.437 -3.764 10.282 1.00 0.00 O ATOM 232 C3' DT A 8 4.747 -3.699 11.912 1.00 0.00 C ATOM 233 O3' DT A 8 5.521 -3.906 13.079 1.00 0.00 O ATOM 234 C2' DT A 8 4.958 -2.313 11.391 1.00 0.00 C ATOM 235 C1' DT A 8 6.352 -2.425 10.791 1.00 0.00 C ATOM 236 N1 DT A 8 6.558 -1.592 9.602 1.00 0.00 N ATOM 237 C2 DT A 8 7.687 -0.810 9.465 1.00 0.00 C ATOM 238 O2 DT A 8 8.563 -0.753 10.327 1.00 0.00 O ATOM 239 N3 DT A 8 7.752 -0.088 8.288 1.00 0.00 N ATOM 240 C4 DT A 8 6.835 -0.064 7.274 1.00 0.00 C ATOM 241 O4 DT A 8 7.024 0.630 6.275 1.00 0.00 O ATOM 242 C5 DT A 8 5.691 -0.900 7.499 1.00 0.00 C ATOM 243 C7 DT A 8 4.585 -0.959 6.491 1.00 0.00 C ATOM 244 C6 DT A 8 5.611 -1.610 8.624 1.00 0.00 C ATOM 0 H5' DT A 8 4.918 -5.460 8.850 1.00 0.00 H new ATOM 0 H5'' DT A 8 3.603 -5.603 9.999 1.00 0.00 H new ATOM 0 H4' DT A 8 5.464 -5.485 11.059 1.00 0.00 H new ATOM 0 H3' DT A 8 3.736 -3.967 12.220 1.00 0.00 H new ATOM 0 H2' DT A 8 4.212 -2.036 10.646 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.911 -1.565 12.183 1.00 0.00 H new ATOM 0 HO3' DT A 8 5.143 -3.386 13.819 1.00 0.00 H new ATOM 0 H1' DT A 8 7.067 -2.134 11.561 1.00 0.00 H new ATOM 0 H3 DT A 8 8.580 0.494 8.161 1.00 0.00 H new ATOM 0 H71 DT A 8 4.117 -1.943 6.522 1.00 0.00 H new ATOM 0 H72 DT A 8 3.842 -0.196 6.721 1.00 0.00 H new ATOM 0 H73 DT A 8 4.991 -0.781 5.495 1.00 0.00 H new ATOM 0 H6 DT A 8 4.743 -2.237 8.768 1.00 0.00 H new TER 258 DT A 8 ATOM 259 O5' DG B 1 8.694 6.371 12.365 1.00 0.00 O ATOM 260 C5' DG B 1 9.903 5.901 11.769 1.00 0.00 C ATOM 261 C4' DG B 1 9.704 5.295 10.388 1.00 0.00 C ATOM 262 O4' DG B 1 9.026 4.026 10.480 1.00 0.00 O ATOM 263 C3' DG B 1 8.939 6.100 9.286 1.00 0.00 C ATOM 264 O3' DG B 1 9.665 7.199 8.717 1.00 0.00 O ATOM 265 C2' DG B 1 8.771 4.978 8.285 1.00 0.00 C ATOM 266 C1' DG B 1 8.215 4.017 9.308 1.00 0.00 C ATOM 267 N9 DG B 1 6.785 4.097 9.577 1.00 0.00 N ATOM 268 C8 DG B 1 5.858 3.941 8.615 1.00 0.00 C ATOM 269 N7 DG B 1 4.626 4.099 9.018 1.00 0.00 N ATOM 270 C5 DG B 1 4.764 4.389 10.369 1.00 0.00 C ATOM 271 C6 DG B 1 3.776 4.663 11.352 1.00 0.00 C ATOM 272 O6 DG B 1 2.556 4.703 11.208 1.00 0.00 O ATOM 273 N1 DG B 1 4.339 4.903 12.591 1.00 0.00 N ATOM 274 C2 DG B 1 5.683 4.884 12.858 1.00 0.00 C ATOM 275 N2 DG B 1 6.053 5.141 14.116 1.00 0.00 N ATOM 276 N3 DG B 1 6.624 4.628 11.945 1.00 0.00 N ATOM 277 C4 DG B 1 6.098 4.392 10.732 1.00 0.00 C ATOM 0 H5' DG B 1 10.355 5.155 12.423 1.00 0.00 H new ATOM 0 H5'' DG B 1 10.608 6.729 11.695 1.00 0.00 H new ATOM 0 H4' DG B 1 10.741 5.254 10.054 1.00 0.00 H new ATOM 0 H3' DG B 1 8.039 6.599 9.646 1.00 0.00 H new ATOM 0 H2' DG B 1 8.082 5.208 7.472 1.00 0.00 H new ATOM 0 H2'' DG B 1 9.704 4.648 7.828 1.00 0.00 H new ATOM 0 HO5' DG B 1 7.929 5.913 11.958 1.00 0.00 H new ATOM 0 H1' DG B 1 8.277 3.033 8.844 1.00 0.00 H new ATOM 0 H8 DG B 1 6.112 3.704 7.592 1.00 0.00 H new ATOM 0 H1 DG B 1 3.707 5.110 13.365 1.00 0.00 H new ATOM 0 H21 DG B 1 7.042 5.139 14.367 1.00 0.00 H new ATOM 0 H22 DG B 1 5.347 5.339 14.825 1.00 0.00 H new ATOM 290 P DA B 2 10.217 8.425 9.607 1.00 0.00 P ATOM 291 OP1 DA B 2 9.207 8.715 10.657 1.00 0.00 O ATOM 292 OP2 DA B 2 10.644 9.518 8.703 1.00 0.00 O ATOM 293 O5' DA B 2 11.526 7.848 10.342 1.00 0.00 O ATOM 294 C5' DA B 2 12.811 7.639 9.741 1.00 0.00 C ATOM 295 C4' DA B 2 13.633 6.757 10.668 1.00 0.00 C ATOM 296 O4' DA B 2 12.991 5.514 10.895 1.00 0.00 O ATOM 297 C3' DA B 2 15.084 6.389 10.408 1.00 0.00 C ATOM 298 O3' DA B 2 15.770 6.281 11.679 1.00 0.00 O ATOM 299 C2' DA B 2 14.942 5.087 9.675 1.00 0.00 C ATOM 300 C1' DA B 2 13.697 4.447 10.256 1.00 0.00 C ATOM 301 N9 DA B 2 12.769 4.004 9.214 1.00 0.00 N ATOM 302 C8 DA B 2 12.511 4.563 7.975 1.00 0.00 C ATOM 303 N7 DA B 2 11.608 3.910 7.301 1.00 0.00 N ATOM 304 C5 DA B 2 11.253 2.868 8.133 1.00 0.00 C ATOM 305 C6 DA B 2 10.339 1.835 7.980 1.00 0.00 C ATOM 306 N6 DA B 2 9.582 1.736 6.882 1.00 0.00 N ATOM 307 N1 DA B 2 10.228 0.967 8.991 1.00 0.00 N ATOM 308 C2 DA B 2 10.982 1.126 10.089 1.00 0.00 C ATOM 309 N3 DA B 2 11.880 2.070 10.347 1.00 0.00 N ATOM 310 C4 DA B 2 11.960 2.913 9.310 1.00 0.00 C ATOM 0 H5' DA B 2 13.314 8.592 9.579 1.00 0.00 H new ATOM 0 H5'' DA B 2 12.702 7.166 8.765 1.00 0.00 H new ATOM 0 H4' DA B 2 13.684 7.471 11.490 1.00 0.00 H new ATOM 0 H3' DA B 2 15.673 7.105 9.835 1.00 0.00 H new ATOM 0 H2' DA B 2 14.840 5.247 8.602 1.00 0.00 H new ATOM 0 H2'' DA B 2 15.817 4.454 9.821 1.00 0.00 H new ATOM 0 H1' DA B 2 13.994 3.607 10.885 1.00 0.00 H new ATOM 0 H8 DA B 2 13.007 5.448 7.605 1.00 0.00 H new ATOM 0 H61 DA B 2 8.916 0.969 6.789 1.00 0.00 H new ATOM 0 H62 DA B 2 9.671 2.428 6.137 1.00 0.00 H new ATOM 0 H2 DA B 2 10.840 0.389 10.866 1.00 0.00 H new ATOM 322 P DG B 3 16.613 5.053 12.331 1.00 0.00 P ATOM 323 OP1 DG B 3 17.475 5.624 13.396 1.00 0.00 O ATOM 324 OP2 DG B 3 17.245 4.287 11.224 1.00 0.00 O ATOM 325 O5' DG B 3 15.523 4.097 13.042 1.00 0.00 O ATOM 326 C5' DG B 3 15.815 3.151 14.094 1.00 0.00 C ATOM 327 C4' DG B 3 16.064 1.752 13.544 1.00 0.00 C ATOM 328 O4' DG B 3 14.978 1.411 12.687 1.00 0.00 O ATOM 329 C3' DG B 3 17.231 1.622 12.579 1.00 0.00 C ATOM 330 O3' DG B 3 18.537 1.631 13.169 1.00 0.00 O ATOM 331 C2' DG B 3 16.901 0.327 11.881 1.00 0.00 C ATOM 332 C1' DG B 3 15.388 0.178 12.094 1.00 0.00 C ATOM 333 N9 DG B 3 14.647 0.053 10.854 1.00 0.00 N ATOM 334 C8 DG B 3 13.608 -0.768 10.548 1.00 0.00 C ATOM 335 N7 DG B 3 13.150 -0.608 9.335 1.00 0.00 N ATOM 336 C5 DG B 3 13.961 0.392 8.818 1.00 0.00 C ATOM 337 C6 DG B 3 13.969 1.005 7.552 1.00 0.00 C ATOM 338 O6 DG B 3 13.204 0.756 6.631 1.00 0.00 O ATOM 339 N1 DG B 3 14.967 1.969 7.453 1.00 0.00 N ATOM 340 C2 DG B 3 15.838 2.287 8.468 1.00 0.00 C ATOM 341 N2 DG B 3 16.772 3.209 8.272 1.00 0.00 N ATOM 342 N3 DG B 3 15.832 1.721 9.655 1.00 0.00 N ATOM 343 C4 DG B 3 14.880 0.795 9.753 1.00 0.00 C ATOM 0 H5' DG B 3 14.983 3.122 14.798 1.00 0.00 H new ATOM 0 H5'' DG B 3 16.691 3.484 14.650 1.00 0.00 H new ATOM 0 H4' DG B 3 16.225 1.147 14.436 1.00 0.00 H new ATOM 0 H3' DG B 3 17.316 2.487 11.921 1.00 0.00 H new ATOM 0 H2' DG B 3 17.155 0.366 10.822 1.00 0.00 H new ATOM 0 H2'' DG B 3 17.451 -0.511 12.310 1.00 0.00 H new ATOM 0 H1' DG B 3 15.196 -0.717 12.686 1.00 0.00 H new ATOM 0 H8 DG B 3 13.199 -1.486 11.243 1.00 0.00 H new ATOM 0 H1 DG B 3 15.058 2.472 6.571 1.00 0.00 H new ATOM 0 H21 DG B 3 17.419 3.447 9.023 1.00 0.00 H new ATOM 0 H22 DG B 3 16.842 3.680 7.370 1.00 0.00 H new ATOM 355 P DC B 4 18.970 0.626 14.351 1.00 0.00 P ATOM 356 OP1 DC B 4 18.109 0.876 15.535 1.00 0.00 O ATOM 357 OP2 DC B 4 20.448 0.680 14.487 1.00 0.00 O ATOM 358 O5' DC B 4 18.584 -0.787 13.714 1.00 0.00 O ATOM 359 C5' DC B 4 17.867 -1.850 14.343 1.00 0.00 C ATOM 360 C4' DC B 4 17.437 -2.853 13.280 1.00 0.00 C ATOM 361 O4' DC B 4 16.423 -2.408 12.345 1.00 0.00 O ATOM 362 C3' DC B 4 18.564 -3.127 12.295 1.00 0.00 C ATOM 363 O3' DC B 4 19.803 -3.695 12.716 1.00 0.00 O ATOM 364 C2' DC B 4 17.836 -3.747 11.110 1.00 0.00 C ATOM 365 C1' DC B 4 16.358 -3.341 11.244 1.00 0.00 C ATOM 366 N1 DC B 4 16.003 -2.766 9.931 1.00 0.00 N ATOM 367 C2 DC B 4 14.973 -3.263 9.121 1.00 0.00 C ATOM 368 O2 DC B 4 14.235 -4.184 9.471 1.00 0.00 O ATOM 369 N3 DC B 4 14.792 -2.697 7.902 1.00 0.00 N ATOM 370 C4 DC B 4 15.576 -1.694 7.485 1.00 0.00 C ATOM 371 N4 DC B 4 15.364 -1.178 6.273 1.00 0.00 N ATOM 372 C5 DC B 4 16.613 -1.191 8.307 1.00 0.00 C ATOM 373 C6 DC B 4 16.780 -1.743 9.492 1.00 0.00 C ATOM 0 H5' DC B 4 16.995 -1.458 14.866 1.00 0.00 H new ATOM 0 H5'' DC B 4 18.494 -2.338 15.089 1.00 0.00 H new ATOM 0 H4' DC B 4 17.097 -3.679 13.905 1.00 0.00 H new ATOM 0 H3' DC B 4 19.083 -2.200 12.052 1.00 0.00 H new ATOM 0 H2' DC B 4 18.253 -3.389 10.168 1.00 0.00 H new ATOM 0 H2'' DC B 4 17.942 -4.832 11.114 1.00 0.00 H new ATOM 0 H1' DC B 4 15.605 -4.100 11.455 1.00 0.00 H new ATOM 0 H41 DC B 4 15.949 -0.414 5.935 1.00 0.00 H new ATOM 0 H42 DC B 4 14.617 -1.548 5.685 1.00 0.00 H new ATOM 0 H5 DC B 4 17.246 -0.382 7.974 1.00 0.00 H new ATOM 0 H6 DC B 4 17.562 -1.369 10.136 1.00 0.00 H new ATOM 385 P DA B 5 21.227 -3.456 11.969 1.00 0.00 P ATOM 386 OP1 DA B 5 21.350 -4.478 10.905 1.00 0.00 O ATOM 387 OP2 DA B 5 22.247 -3.448 13.047 1.00 0.00 O ATOM 388 O5' DA B 5 21.305 -1.978 11.281 1.00 0.00 O ATOM 389 C5' DA B 5 20.582 -1.439 10.153 1.00 0.00 C ATOM 390 C4' DA B 5 21.123 -1.822 8.771 1.00 0.00 C ATOM 391 O4' DA B 5 21.241 -3.257 8.609 1.00 0.00 O ATOM 392 C3' DA B 5 20.295 -1.387 7.578 1.00 0.00 C ATOM 393 O3' DA B 5 20.944 -1.272 6.298 1.00 0.00 O ATOM 394 C2' DA B 5 19.345 -2.536 7.465 1.00 0.00 C ATOM 395 C1' DA B 5 20.286 -3.704 7.620 1.00 0.00 C ATOM 396 N9 DA B 5 19.485 -4.857 8.045 1.00 0.00 N ATOM 397 C8 DA B 5 19.642 -5.688 9.117 1.00 0.00 C ATOM 398 N7 DA B 5 18.724 -6.622 9.200 1.00 0.00 N ATOM 399 C5 DA B 5 17.908 -6.380 8.102 1.00 0.00 C ATOM 400 C6 DA B 5 16.750 -7.004 7.605 1.00 0.00 C ATOM 401 N6 DA B 5 16.173 -8.064 8.180 1.00 0.00 N ATOM 402 N1 DA B 5 16.203 -6.494 6.488 1.00 0.00 N ATOM 403 C2 DA B 5 16.771 -5.430 5.903 1.00 0.00 C ATOM 404 N3 DA B 5 17.854 -4.764 6.278 1.00 0.00 N ATOM 405 C4 DA B 5 18.371 -5.299 7.391 1.00 0.00 C ATOM 0 H5' DA B 5 20.579 -0.352 10.233 1.00 0.00 H new ATOM 0 H5'' DA B 5 19.545 -1.766 10.220 1.00 0.00 H new ATOM 0 H4' DA B 5 22.076 -1.293 8.768 1.00 0.00 H new ATOM 0 H3' DA B 5 19.922 -0.380 7.761 1.00 0.00 H new ATOM 0 H2' DA B 5 18.580 -2.517 8.242 1.00 0.00 H new ATOM 0 H2'' DA B 5 18.826 -2.549 6.507 1.00 0.00 H new ATOM 0 H1' DA B 5 20.814 -4.012 6.718 1.00 0.00 H new ATOM 0 H8 DA B 5 20.447 -5.586 9.830 1.00 0.00 H new ATOM 0 H61 DA B 5 15.333 -8.472 7.770 1.00 0.00 H new ATOM 0 H62 DA B 5 16.573 -8.465 9.028 1.00 0.00 H new ATOM 0 H2 DA B 5 16.283 -5.068 5.010 1.00 0.00 H new ATOM 417 P DG B 6 22.468 -1.614 5.896 1.00 0.00 P ATOM 418 OP1 DG B 6 22.546 -1.582 4.413 1.00 0.00 O ATOM 419 OP2 DG B 6 22.915 -2.837 6.609 1.00 0.00 O ATOM 420 O5' DG B 6 23.308 -0.373 6.482 1.00 0.00 O ATOM 421 C5' DG B 6 23.914 0.581 5.609 1.00 0.00 C ATOM 422 C4' DG B 6 22.949 1.668 5.186 1.00 0.00 C ATOM 423 O4' DG B 6 21.727 1.133 4.646 1.00 0.00 O ATOM 424 C3' DG B 6 22.495 2.731 6.196 1.00 0.00 C ATOM 425 O3' DG B 6 22.580 4.040 5.635 1.00 0.00 O ATOM 426 C2' DG B 6 21.040 2.410 6.285 1.00 0.00 C ATOM 427 C1' DG B 6 20.698 2.118 4.817 1.00 0.00 C ATOM 428 N9 DG B 6 19.405 1.465 4.681 1.00 0.00 N ATOM 429 C8 DG B 6 18.812 0.783 5.681 1.00 0.00 C ATOM 430 N7 DG B 6 17.667 0.280 5.405 1.00 0.00 N ATOM 431 C5 DG B 6 17.478 0.664 4.101 1.00 0.00 C ATOM 432 C6 DG B 6 16.396 0.392 3.292 1.00 0.00 C ATOM 433 O6 DG B 6 15.426 -0.248 3.654 1.00 0.00 O ATOM 434 N1 DG B 6 16.522 0.926 2.033 1.00 0.00 N ATOM 435 C2 DG B 6 17.599 1.655 1.606 1.00 0.00 C ATOM 436 N2 DG B 6 17.526 2.094 0.342 1.00 0.00 N ATOM 437 N3 DG B 6 18.667 1.935 2.375 1.00 0.00 N ATOM 438 C4 DG B 6 18.536 1.405 3.613 1.00 0.00 C ATOM 0 H5' DG B 6 24.293 0.070 4.724 1.00 0.00 H new ATOM 0 H5'' DG B 6 24.771 1.033 6.108 1.00 0.00 H new ATOM 0 H4' DG B 6 23.596 2.174 4.469 1.00 0.00 H new ATOM 0 H3' DG B 6 23.072 2.722 7.120 1.00 0.00 H new ATOM 0 H2' DG B 6 20.848 1.552 6.929 1.00 0.00 H new ATOM 0 H2'' DG B 6 20.460 3.243 6.683 1.00 0.00 H new ATOM 0 H1' DG B 6 20.652 2.974 4.144 1.00 0.00 H new ATOM 0 H8 DG B 6 19.272 0.668 6.651 1.00 0.00 H new ATOM 0 H1 DG B 6 15.762 0.769 1.371 1.00 0.00 H new ATOM 0 H21 DG B 6 18.289 2.645 -0.051 1.00 0.00 H new ATOM 0 H22 DG B 6 16.707 1.877 -0.227 1.00 0.00 H new ATOM 450 P DG B 7 23.912 4.712 5.028 1.00 0.00 P ATOM 451 OP1 DG B 7 24.550 3.771 4.073 1.00 0.00 O ATOM 452 OP2 DG B 7 24.704 5.284 6.147 1.00 0.00 O ATOM 453 O5' DG B 7 23.265 5.909 4.190 1.00 0.00 O ATOM 454 C5' DG B 7 22.392 6.802 4.870 1.00 0.00 C ATOM 455 C4' DG B 7 21.078 6.991 4.140 1.00 0.00 C ATOM 456 O4' DG B 7 20.339 5.760 3.824 1.00 0.00 O ATOM 457 C3' DG B 7 20.124 7.830 5.005 1.00 0.00 C ATOM 458 O3' DG B 7 19.254 8.662 4.233 1.00 0.00 O ATOM 459 C2' DG B 7 19.325 6.648 5.546 1.00 0.00 C ATOM 460 C1' DG B 7 18.970 6.021 4.195 1.00 0.00 C ATOM 461 N9 DG B 7 17.968 4.962 4.423 1.00 0.00 N ATOM 462 C8 DG B 7 17.886 4.197 5.553 1.00 0.00 C ATOM 463 N7 DG B 7 16.871 3.400 5.568 1.00 0.00 N ATOM 464 C5 DG B 7 16.222 3.625 4.388 1.00 0.00 C ATOM 465 C6 DG B 7 15.053 3.010 3.918 1.00 0.00 C ATOM 466 O6 DG B 7 14.412 2.165 4.533 1.00 0.00 O ATOM 467 N1 DG B 7 14.679 3.478 2.676 1.00 0.00 N ATOM 468 C2 DG B 7 15.379 4.442 1.986 1.00 0.00 C ATOM 469 N2 DG B 7 14.896 4.783 0.790 1.00 0.00 N ATOM 470 N3 DG B 7 16.501 5.045 2.428 1.00 0.00 N ATOM 471 C4 DG B 7 16.870 4.587 3.640 1.00 0.00 C ATOM 0 H5' DG B 7 22.883 7.768 4.986 1.00 0.00 H new ATOM 0 H5'' DG B 7 22.196 6.422 5.873 1.00 0.00 H new ATOM 0 H4' DG B 7 21.368 7.462 3.201 1.00 0.00 H new ATOM 0 H3' DG B 7 20.601 8.519 5.702 1.00 0.00 H new ATOM 0 H2' DG B 7 19.914 5.988 6.183 1.00 0.00 H new ATOM 0 H2'' DG B 7 18.450 6.950 6.122 1.00 0.00 H new ATOM 0 H1' DG B 7 18.448 6.530 3.384 1.00 0.00 H new ATOM 0 H8 DG B 7 18.604 4.254 6.358 1.00 0.00 H new ATOM 0 H1 DG B 7 13.840 3.090 2.246 1.00 0.00 H new ATOM 0 H21 DG B 7 15.371 5.492 0.231 1.00 0.00 H new ATOM 0 H22 DG B 7 14.052 4.335 0.434 1.00 0.00 H new ATOM 483 P DT B 8 19.433 10.247 4.082 1.00 0.00 P ATOM 484 OP1 DT B 8 20.851 10.538 3.745 1.00 0.00 O ATOM 485 OP2 DT B 8 18.802 10.910 5.251 1.00 0.00 O ATOM 486 O5' DT B 8 18.524 10.524 2.793 1.00 0.00 O ATOM 487 C5' DT B 8 19.002 10.128 1.511 1.00 0.00 C ATOM 488 C4' DT B 8 17.904 9.905 0.490 1.00 0.00 C ATOM 489 O4' DT B 8 17.081 8.758 0.726 1.00 0.00 O ATOM 490 C3' DT B 8 16.943 11.020 0.106 1.00 0.00 C ATOM 491 O3' DT B 8 16.438 10.885 -1.209 1.00 0.00 O ATOM 492 C2' DT B 8 15.867 10.734 1.105 1.00 0.00 C ATOM 493 C1' DT B 8 15.751 9.220 0.999 1.00 0.00 C ATOM 494 N1 DT B 8 15.410 8.558 2.263 1.00 0.00 N ATOM 495 C2 DT B 8 14.424 7.594 2.319 1.00 0.00 C ATOM 496 O2 DT B 8 13.772 7.252 1.334 1.00 0.00 O ATOM 497 N3 DT B 8 14.220 7.048 3.573 1.00 0.00 N ATOM 498 C4 DT B 8 14.872 7.361 4.734 1.00 0.00 C ATOM 499 O4 DT B 8 14.586 6.791 5.786 1.00 0.00 O ATOM 500 C5 DT B 8 15.876 8.375 4.586 1.00 0.00 C ATOM 501 C7 DT B 8 16.658 8.846 5.774 1.00 0.00 C ATOM 502 C6 DT B 8 16.094 8.910 3.386 1.00 0.00 C ATOM 0 H5' DT B 8 19.579 9.209 1.617 1.00 0.00 H new ATOM 0 H5'' DT B 8 19.684 10.891 1.136 1.00 0.00 H new ATOM 0 H4' DT B 8 18.593 9.793 -0.347 1.00 0.00 H new ATOM 0 H3' DT B 8 17.379 12.019 0.115 1.00 0.00 H new ATOM 0 H2' DT B 8 16.143 11.055 2.109 1.00 0.00 H new ATOM 0 H2'' DT B 8 14.932 11.236 0.856 1.00 0.00 H new ATOM 0 HO3' DT B 8 15.826 11.626 -1.402 1.00 0.00 H new ATOM 0 H1' DT B 8 14.981 8.999 0.259 1.00 0.00 H new ATOM 0 H3 DT B 8 13.500 6.329 3.640 1.00 0.00 H new ATOM 0 H71 DT B 8 17.651 9.163 5.454 1.00 0.00 H new ATOM 0 H72 DT B 8 16.142 9.685 6.240 1.00 0.00 H new ATOM 0 H73 DT B 8 16.751 8.033 6.494 1.00 0.00 H new ATOM 0 H6 DT B 8 16.859 9.668 3.299 1.00 0.00 H new TER 516 DT B 8