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 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.265 (180deg=-0.265) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.265 (180deg=-0.265) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.312 11.017 24.420 1.00 0.00 O ATOM 2 C5' DG A 1 5.140 11.742 24.727 1.00 0.00 C ATOM 3 C4' DG A 1 3.939 11.227 23.925 1.00 0.00 C ATOM 4 O4' DG A 1 4.169 11.401 22.533 1.00 0.00 O ATOM 5 C3' DG A 1 3.614 9.749 24.186 1.00 0.00 C ATOM 6 O3' DG A 1 2.211 9.574 24.298 1.00 0.00 O ATOM 7 C2' DG A 1 4.178 9.133 22.916 1.00 0.00 C ATOM 8 C1' DG A 1 3.826 10.195 21.885 1.00 0.00 C ATOM 9 N9 DG A 1 4.580 10.014 20.618 1.00 0.00 N ATOM 10 C8 DG A 1 5.943 9.990 20.411 1.00 0.00 C ATOM 11 N7 DG A 1 6.290 9.845 19.164 1.00 0.00 N ATOM 12 C5 DG A 1 5.081 9.774 18.484 1.00 0.00 C ATOM 13 C6 DG A 1 4.825 9.650 17.084 1.00 0.00 C ATOM 14 O6 DG A 1 5.645 9.575 16.172 1.00 0.00 O ATOM 15 N1 DG A 1 3.463 9.620 16.794 1.00 0.00 N ATOM 16 C2 DG A 1 2.461 9.715 17.743 1.00 0.00 C ATOM 17 N2 DG A 1 1.197 9.660 17.309 1.00 0.00 N ATOM 18 N3 DG A 1 2.702 9.853 19.057 1.00 0.00 N ATOM 19 C4 DG A 1 4.028 9.876 19.363 1.00 0.00 C ATOM 0 H5' DG A 1 5.297 12.799 24.512 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.929 11.662 25.793 1.00 0.00 H new ATOM 0 H4' DG A 1 3.084 11.815 24.259 1.00 0.00 H new ATOM 0 H3' DG A 1 4.017 9.319 25.103 1.00 0.00 H new ATOM 0 H2' DG A 1 5.253 8.966 22.983 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.720 8.171 22.688 1.00 0.00 H new ATOM 0 HO5' DG A 1 7.061 11.369 24.945 1.00 0.00 H new ATOM 0 H1' DG A 1 2.779 10.158 21.582 1.00 0.00 H new ATOM 0 H8 DG A 1 6.660 10.083 21.213 1.00 0.00 H new ATOM 0 H1 DG A 1 3.186 9.521 15.817 1.00 0.00 H new ATOM 0 H21 DG A 1 0.426 9.726 17.974 1.00 0.00 H new ATOM 0 H22 DG A 1 1.004 9.552 16.313 1.00 0.00 H new ATOM 32 P DC A 2 1.530 8.127 24.544 1.00 0.00 P ATOM 33 OP1 DC A 2 0.494 8.281 25.589 1.00 0.00 O ATOM 34 OP2 DC A 2 2.598 7.117 24.717 1.00 0.00 O ATOM 35 O5' DC A 2 0.794 7.844 23.132 1.00 0.00 O ATOM 36 C5' DC A 2 -0.334 8.603 22.743 1.00 0.00 C ATOM 37 C4' DC A 2 -1.096 8.054 21.539 1.00 0.00 C ATOM 38 O4' DC A 2 -0.339 8.164 20.346 1.00 0.00 O ATOM 39 C3' DC A 2 -1.448 6.585 21.778 1.00 0.00 C ATOM 40 O3' DC A 2 -2.762 6.337 21.308 1.00 0.00 O ATOM 41 C2' DC A 2 -0.347 5.918 20.988 1.00 0.00 C ATOM 42 C1' DC A 2 -0.159 6.869 19.810 1.00 0.00 C ATOM 43 N1 DC A 2 1.208 6.749 19.259 1.00 0.00 N ATOM 44 C2 DC A 2 1.417 6.528 17.896 1.00 0.00 C ATOM 45 O2 DC A 2 0.483 6.494 17.099 1.00 0.00 O ATOM 46 N3 DC A 2 2.700 6.350 17.462 1.00 0.00 N ATOM 47 C4 DC A 2 3.734 6.360 18.319 1.00 0.00 C ATOM 48 N4 DC A 2 4.974 6.222 17.843 1.00 0.00 N ATOM 49 C5 DC A 2 3.526 6.610 19.716 1.00 0.00 C ATOM 50 C6 DC A 2 2.266 6.826 20.120 1.00 0.00 C ATOM 0 H5' DC A 2 -0.009 9.619 22.517 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.019 8.668 23.589 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.004 8.646 21.423 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.481 6.234 22.809 1.00 0.00 H new ATOM 0 H2' DC A 2 0.566 5.813 21.574 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.632 4.918 20.660 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.858 6.649 19.003 1.00 0.00 H new ATOM 0 H41 DC A 2 5.769 6.228 18.482 1.00 0.00 H new ATOM 0 H42 DC A 2 5.126 6.111 16.841 1.00 0.00 H new ATOM 0 H5 DC A 2 4.350 6.624 20.414 1.00 0.00 H new ATOM 0 H6 DC A 2 2.082 7.068 21.156 1.00 0.00 H new ATOM 62 P DG A 3 -3.379 4.852 21.142 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.841 4.935 21.352 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.574 3.900 21.941 1.00 0.00 O ATOM 65 O5' DG A 3 -3.103 4.577 19.574 1.00 0.00 O ATOM 66 C5' DG A 3 -3.767 5.354 18.594 1.00 0.00 C ATOM 67 C4' DG A 3 -3.561 4.850 17.176 1.00 0.00 C ATOM 68 O4' DG A 3 -2.198 4.894 16.795 1.00 0.00 O ATOM 69 C3' DG A 3 -4.092 3.419 17.095 1.00 0.00 C ATOM 70 O3' DG A 3 -5.113 3.321 16.117 1.00 0.00 O ATOM 71 C2' DG A 3 -2.815 2.660 16.786 1.00 0.00 C ATOM 72 C1' DG A 3 -1.859 3.673 16.174 1.00 0.00 C ATOM 73 N9 DG A 3 -0.441 3.377 16.475 1.00 0.00 N ATOM 74 C8 DG A 3 0.152 3.243 17.704 1.00 0.00 C ATOM 75 N7 DG A 3 1.453 3.275 17.682 1.00 0.00 N ATOM 76 C5 DG A 3 1.751 3.409 16.332 1.00 0.00 C ATOM 77 C6 DG A 3 3.011 3.553 15.684 1.00 0.00 C ATOM 78 O6 DG A 3 4.111 3.713 16.206 1.00 0.00 O ATOM 79 N1 DG A 3 2.898 3.500 14.297 1.00 0.00 N ATOM 80 C2 DG A 3 1.699 3.420 13.611 1.00 0.00 C ATOM 81 N2 DG A 3 1.751 3.389 12.276 1.00 0.00 N ATOM 82 N3 DG A 3 0.506 3.404 14.223 1.00 0.00 N ATOM 83 C4 DG A 3 0.600 3.390 15.580 1.00 0.00 C ATOM 0 H5' DG A 3 -3.415 6.384 18.659 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.834 5.367 18.815 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.102 5.497 16.486 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.588 3.031 17.985 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.393 2.223 17.691 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.007 1.839 16.095 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.952 3.674 15.088 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.414 3.121 18.616 1.00 0.00 H new ATOM 0 H1 DG A 3 3.758 3.522 13.749 1.00 0.00 H new ATOM 0 H21 DG A 3 0.889 3.330 11.733 1.00 0.00 H new ATOM 0 H22 DG A 3 2.652 3.424 11.800 1.00 0.00 H new ATOM 95 P DT A 4 -5.841 1.919 15.760 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.084 2.218 15.014 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.890 1.077 16.976 1.00 0.00 O ATOM 98 O5' DT A 4 -4.776 1.280 14.736 1.00 0.00 O ATOM 99 C5' DT A 4 -4.409 1.992 13.576 1.00 0.00 C ATOM 100 C4' DT A 4 -3.211 1.405 12.838 1.00 0.00 C ATOM 101 O4' DT A 4 -2.046 1.554 13.620 1.00 0.00 O ATOM 102 C3' DT A 4 -3.363 -0.080 12.476 1.00 0.00 C ATOM 103 O3' DT A 4 -3.401 -0.213 11.067 1.00 0.00 O ATOM 104 C2' DT A 4 -2.129 -0.690 13.139 1.00 0.00 C ATOM 105 C1' DT A 4 -1.185 0.501 13.268 1.00 0.00 C ATOM 106 N1 DT A 4 -0.178 0.259 14.323 1.00 0.00 N ATOM 107 C2 DT A 4 1.179 0.215 14.002 1.00 0.00 C ATOM 108 O2 DT A 4 1.604 0.233 12.849 1.00 0.00 O ATOM 109 N3 DT A 4 2.054 0.149 15.078 1.00 0.00 N ATOM 110 C4 DT A 4 1.694 0.074 16.418 1.00 0.00 C ATOM 111 O4 DT A 4 2.560 0.043 17.288 1.00 0.00 O ATOM 112 C5 DT A 4 0.260 0.039 16.650 1.00 0.00 C ATOM 113 C7 DT A 4 -0.291 -0.096 18.049 1.00 0.00 C ATOM 114 C6 DT A 4 -0.606 0.136 15.617 1.00 0.00 C ATOM 0 H5' DT A 4 -4.183 3.022 13.851 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.261 2.023 12.897 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.142 1.960 11.902 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.276 -0.571 12.814 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.366 -1.124 14.110 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.696 -1.485 12.532 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.617 0.702 12.360 1.00 0.00 H new ATOM 0 H3 DT A 4 3.052 0.156 14.866 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.257 0.405 18.110 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.414 -1.152 18.291 1.00 0.00 H new ATOM 0 H73 DT A 4 0.400 0.361 18.758 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.667 0.116 15.819 1.00 0.00 H new ATOM 127 P DA A 5 -3.509 -1.646 10.336 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.168 -1.450 9.026 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.051 -2.633 11.295 1.00 0.00 O ATOM 130 O5' DA A 5 -1.958 -1.991 10.077 1.00 0.00 O ATOM 131 C5' DA A 5 -1.174 -1.205 9.199 1.00 0.00 C ATOM 132 C4' DA A 5 0.236 -1.786 9.090 1.00 0.00 C ATOM 133 O4' DA A 5 0.916 -1.682 10.329 1.00 0.00 O ATOM 134 C3' DA A 5 0.224 -3.266 8.673 1.00 0.00 C ATOM 135 O3' DA A 5 0.981 -3.390 7.483 1.00 0.00 O ATOM 136 C2' DA A 5 0.820 -3.948 9.909 1.00 0.00 C ATOM 137 C1' DA A 5 1.702 -2.843 10.498 1.00 0.00 C ATOM 138 N9 DA A 5 1.982 -3.042 11.937 1.00 0.00 N ATOM 139 C8 DA A 5 1.052 -3.255 12.912 1.00 0.00 C ATOM 140 N7 DA A 5 1.493 -3.137 14.131 1.00 0.00 N ATOM 141 C5 DA A 5 2.845 -2.875 13.951 1.00 0.00 C ATOM 142 C6 DA A 5 3.898 -2.643 14.858 1.00 0.00 C ATOM 143 N6 DA A 5 3.698 -2.540 16.176 1.00 0.00 N ATOM 144 N1 DA A 5 5.144 -2.493 14.372 1.00 0.00 N ATOM 145 C2 DA A 5 5.329 -2.542 13.055 1.00 0.00 C ATOM 146 N3 DA A 5 4.417 -2.696 12.094 1.00 0.00 N ATOM 147 C4 DA A 5 3.170 -2.864 12.615 1.00 0.00 C ATOM 0 H5' DA A 5 -1.126 -0.179 9.563 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.639 -1.173 8.214 1.00 0.00 H new ATOM 0 H4' DA A 5 0.749 -1.206 8.322 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.740 -3.711 8.427 1.00 0.00 H new ATOM 0 H2' DA A 5 0.048 -4.268 10.609 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.399 -4.833 9.646 1.00 0.00 H new ATOM 0 H1' DA A 5 2.678 -2.808 10.013 1.00 0.00 H new ATOM 0 H8 DA A 5 0.025 -3.503 12.689 1.00 0.00 H new ATOM 0 H61 DA A 5 4.487 -2.372 16.800 1.00 0.00 H new ATOM 0 H62 DA A 5 2.756 -2.630 16.557 1.00 0.00 H new ATOM 0 H2 DA A 5 6.351 -2.444 12.721 1.00 0.00 H new ATOM 159 P DC A 6 1.266 -4.806 6.768 1.00 0.00 P ATOM 160 OP1 DC A 6 1.607 -4.552 5.350 1.00 0.00 O ATOM 161 OP2 DC A 6 0.177 -5.747 7.111 1.00 0.00 O ATOM 162 O5' DC A 6 2.600 -5.263 7.536 1.00 0.00 O ATOM 163 C5' DC A 6 3.766 -4.464 7.502 1.00 0.00 C ATOM 164 C4' DC A 6 4.812 -5.032 8.457 1.00 0.00 C ATOM 165 O4' DC A 6 4.331 -4.886 9.774 1.00 0.00 O ATOM 166 C3' DC A 6 5.173 -6.508 8.271 1.00 0.00 C ATOM 167 O3' DC A 6 6.378 -6.672 7.543 1.00 0.00 O ATOM 168 C2' DC A 6 5.241 -7.026 9.706 1.00 0.00 C ATOM 169 C1' DC A 6 5.056 -5.789 10.566 1.00 0.00 C ATOM 170 N1 DC A 6 4.338 -6.075 11.834 1.00 0.00 N ATOM 171 C2 DC A 6 5.010 -5.904 13.041 1.00 0.00 C ATOM 172 O2 DC A 6 6.225 -5.730 13.082 1.00 0.00 O ATOM 173 N3 DC A 6 4.288 -5.931 14.194 1.00 0.00 N ATOM 174 C4 DC A 6 2.967 -6.153 14.187 1.00 0.00 C ATOM 175 N4 DC A 6 2.311 -6.103 15.351 1.00 0.00 N ATOM 176 C5 DC A 6 2.261 -6.391 12.958 1.00 0.00 C ATOM 177 C6 DC A 6 2.992 -6.348 11.820 1.00 0.00 C ATOM 0 H5' DC A 6 3.523 -3.439 7.782 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.166 -4.431 6.488 1.00 0.00 H new ATOM 0 H4' DC A 6 5.721 -4.471 8.242 1.00 0.00 H new ATOM 0 H3' DC A 6 4.452 -7.065 7.672 1.00 0.00 H new ATOM 0 H2' DC A 6 4.462 -7.764 9.899 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.196 -7.511 9.908 1.00 0.00 H new ATOM 0 H1' DC A 6 6.023 -5.388 10.871 1.00 0.00 H new ATOM 0 H41 DC A 6 1.305 -6.268 15.377 1.00 0.00 H new ATOM 0 H42 DC A 6 2.817 -5.900 16.213 1.00 0.00 H new ATOM 0 H5 DC A 6 1.200 -6.594 12.943 1.00 0.00 H new ATOM 0 H6 DC A 6 2.504 -6.533 10.875 1.00 0.00 H new ATOM 189 P DG A 7 7.014 -8.131 7.242 1.00 0.00 P ATOM 190 OP1 DG A 7 7.970 -7.995 6.121 1.00 0.00 O ATOM 191 OP2 DG A 7 5.914 -9.117 7.155 1.00 0.00 O ATOM 192 O5' DG A 7 7.857 -8.433 8.588 1.00 0.00 O ATOM 193 C5' DG A 7 8.949 -7.613 8.952 1.00 0.00 C ATOM 194 C4' DG A 7 9.582 -8.013 10.286 1.00 0.00 C ATOM 195 O4' DG A 7 8.690 -7.759 11.361 1.00 0.00 O ATOM 196 C3' DG A 7 9.965 -9.499 10.309 1.00 0.00 C ATOM 197 O3' DG A 7 11.298 -9.651 10.764 1.00 0.00 O ATOM 198 C2' DG A 7 8.916 -10.048 11.264 1.00 0.00 C ATOM 199 C1' DG A 7 8.718 -8.880 12.219 1.00 0.00 C ATOM 200 N9 DG A 7 7.449 -8.994 12.970 1.00 0.00 N ATOM 201 C8 DG A 7 6.214 -9.334 12.485 1.00 0.00 C ATOM 202 N7 DG A 7 5.245 -9.216 13.348 1.00 0.00 N ATOM 203 C5 DG A 7 5.891 -8.811 14.511 1.00 0.00 C ATOM 204 C6 DG A 7 5.359 -8.557 15.811 1.00 0.00 C ATOM 205 O6 DG A 7 4.181 -8.543 16.154 1.00 0.00 O ATOM 206 N1 DG A 7 6.354 -8.303 16.752 1.00 0.00 N ATOM 207 C2 DG A 7 7.706 -8.271 16.469 1.00 0.00 C ATOM 208 N2 DG A 7 8.540 -8.050 17.490 1.00 0.00 N ATOM 209 N3 DG A 7 8.203 -8.454 15.235 1.00 0.00 N ATOM 210 C4 DG A 7 7.248 -8.725 14.304 1.00 0.00 C ATOM 0 H5' DG A 7 8.614 -6.578 9.012 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.706 -7.658 8.169 1.00 0.00 H new ATOM 0 H4' DG A 7 10.484 -7.412 10.400 1.00 0.00 H new ATOM 0 H3' DG A 7 9.963 -10.013 9.348 1.00 0.00 H new ATOM 0 H2' DG A 7 7.994 -10.314 10.748 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.262 -10.943 11.780 1.00 0.00 H new ATOM 0 H1' DG A 7 9.498 -8.827 12.978 1.00 0.00 H new ATOM 0 H8 DG A 7 6.056 -9.672 11.471 1.00 0.00 H new ATOM 0 H1 DG A 7 6.065 -8.129 17.715 1.00 0.00 H new ATOM 0 H21 DG A 7 9.547 -8.018 17.328 1.00 0.00 H new ATOM 0 H22 DG A 7 8.170 -7.913 18.431 1.00 0.00 H new ATOM 222 P DC A 8 11.989 -11.102 10.936 1.00 0.00 P ATOM 223 OP1 DC A 8 13.456 -10.933 10.842 1.00 0.00 O ATOM 224 OP2 DC A 8 11.299 -12.067 10.052 1.00 0.00 O ATOM 225 O5' DC A 8 11.613 -11.453 12.462 1.00 0.00 O ATOM 226 C5' DC A 8 12.246 -10.783 13.532 1.00 0.00 C ATOM 227 C4' DC A 8 11.608 -11.147 14.874 1.00 0.00 C ATOM 228 O4' DC A 8 10.253 -10.765 14.883 1.00 0.00 O ATOM 229 C3' DC A 8 11.597 -12.642 15.191 1.00 0.00 C ATOM 230 O3' DC A 8 12.806 -13.077 15.775 1.00 0.00 O ATOM 231 C2' DC A 8 10.421 -12.757 16.160 1.00 0.00 C ATOM 232 C1' DC A 8 9.636 -11.457 15.948 1.00 0.00 C ATOM 233 N1 DC A 8 8.206 -11.724 15.636 1.00 0.00 N ATOM 234 C2 DC A 8 7.248 -11.554 16.636 1.00 0.00 C ATOM 235 O2 DC A 8 7.565 -11.263 17.788 1.00 0.00 O ATOM 236 N3 DC A 8 5.935 -11.715 16.311 1.00 0.00 N ATOM 237 C4 DC A 8 5.560 -12.046 15.066 1.00 0.00 C ATOM 238 N4 DC A 8 4.254 -12.137 14.799 1.00 0.00 N ATOM 239 C5 DC A 8 6.532 -12.268 14.031 1.00 0.00 C ATOM 240 C6 DC A 8 7.832 -12.093 14.366 1.00 0.00 C ATOM 0 H5' DC A 8 12.182 -9.706 13.377 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.305 -11.041 13.549 1.00 0.00 H new ATOM 0 H4' DC A 8 12.221 -10.627 15.610 1.00 0.00 H new ATOM 0 H3' DC A 8 11.498 -13.269 14.305 1.00 0.00 H new ATOM 0 H2' DC A 8 9.809 -13.633 15.943 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.761 -12.854 17.191 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.752 -14.038 15.962 1.00 0.00 H new ATOM 0 H1' DC A 8 9.650 -10.863 16.862 1.00 0.00 H new ATOM 0 H41 DC A 8 3.941 -12.387 13.861 1.00 0.00 H new ATOM 0 H42 DC A 8 3.570 -11.957 15.533 1.00 0.00 H new ATOM 0 H5 DC A 8 6.239 -12.561 13.033 1.00 0.00 H new ATOM 0 H6 DC A 8 8.594 -12.247 13.617 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.109 -13.041 24.782 1.00 0.00 O ATOM 255 C5' DG B 1 -0.939 -11.641 24.857 1.00 0.00 C ATOM 256 C4' DG B 1 0.554 -11.295 24.901 1.00 0.00 C ATOM 257 O4' DG B 1 1.171 -11.693 23.682 1.00 0.00 O ATOM 258 C3' DG B 1 0.786 -9.789 25.078 1.00 0.00 C ATOM 259 O3' DG B 1 1.973 -9.561 25.819 1.00 0.00 O ATOM 260 C2' DG B 1 0.920 -9.392 23.617 1.00 0.00 C ATOM 261 C1' DG B 1 1.747 -10.552 23.079 1.00 0.00 C ATOM 262 N9 DG B 1 1.711 -10.631 21.596 1.00 0.00 N ATOM 263 C8 DG B 1 0.624 -10.712 20.752 1.00 0.00 C ATOM 264 N7 DG B 1 0.934 -10.797 19.490 1.00 0.00 N ATOM 265 C5 DG B 1 2.322 -10.784 19.482 1.00 0.00 C ATOM 266 C6 DG B 1 3.231 -10.885 18.386 1.00 0.00 C ATOM 267 O6 DG B 1 2.963 -11.001 17.192 1.00 0.00 O ATOM 268 N1 DG B 1 4.563 -10.843 18.794 1.00 0.00 N ATOM 269 C2 DG B 1 4.972 -10.732 20.111 1.00 0.00 C ATOM 270 N2 DG B 1 6.288 -10.696 20.344 1.00 0.00 N ATOM 271 N3 DG B 1 4.117 -10.657 21.143 1.00 0.00 N ATOM 272 C4 DG B 1 2.809 -10.687 20.765 1.00 0.00 C ATOM 0 H5' DG B 1 -1.437 -11.253 25.746 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.406 -11.163 23.996 1.00 0.00 H new ATOM 0 H4' DG B 1 0.984 -11.822 25.753 1.00 0.00 H new ATOM 0 H3' DG B 1 0.022 -9.237 25.625 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.047 -9.309 23.121 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.424 -8.433 23.494 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.065 -13.253 24.756 1.00 0.00 H new ATOM 0 H1' DG B 1 2.805 -10.445 23.316 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.396 -10.706 21.107 1.00 0.00 H new ATOM 0 H1 DG B 1 5.284 -10.898 18.074 1.00 0.00 H new ATOM 0 H21 DG B 1 6.635 -10.615 21.300 1.00 0.00 H new ATOM 0 H22 DG B 1 6.945 -10.750 19.566 1.00 0.00 H new ATOM 285 P DC B 2 2.515 -8.075 26.154 1.00 0.00 P ATOM 286 OP1 DC B 2 2.902 -8.040 27.582 1.00 0.00 O ATOM 287 OP2 DC B 2 1.548 -7.083 25.634 1.00 0.00 O ATOM 288 O5' DC B 2 3.858 -7.983 25.259 1.00 0.00 O ATOM 289 C5' DC B 2 5.000 -8.748 25.592 1.00 0.00 C ATOM 290 C4' DC B 2 6.275 -8.361 24.845 1.00 0.00 C ATOM 291 O4' DC B 2 6.192 -8.684 23.467 1.00 0.00 O ATOM 292 C3' DC B 2 6.526 -6.860 24.996 1.00 0.00 C ATOM 293 O3' DC B 2 7.912 -6.636 25.195 1.00 0.00 O ATOM 294 C2' DC B 2 5.979 -6.366 23.679 1.00 0.00 C ATOM 295 C1' DC B 2 6.350 -7.494 22.721 1.00 0.00 C ATOM 296 N1 DC B 2 5.431 -7.515 21.562 1.00 0.00 N ATOM 297 C2 DC B 2 5.923 -7.523 20.255 1.00 0.00 C ATOM 298 O2 DC B 2 7.128 -7.577 20.022 1.00 0.00 O ATOM 299 N3 DC B 2 5.024 -7.470 19.228 1.00 0.00 N ATOM 300 C4 DC B 2 3.704 -7.386 19.461 1.00 0.00 C ATOM 301 N4 DC B 2 2.861 -7.380 18.425 1.00 0.00 N ATOM 302 C5 DC B 2 3.193 -7.399 20.802 1.00 0.00 C ATOM 303 C6 DC B 2 4.085 -7.496 21.797 1.00 0.00 C ATOM 0 H5' DC B 2 4.786 -9.798 25.395 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.182 -8.655 26.663 1.00 0.00 H new ATOM 0 H4' DC B 2 7.099 -8.927 25.279 1.00 0.00 H new ATOM 0 H3' DC B 2 6.066 -6.353 25.844 1.00 0.00 H new ATOM 0 H2' DC B 2 4.901 -6.208 23.721 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.429 -5.418 23.383 1.00 0.00 H new ATOM 0 H1' DC B 2 7.362 -7.373 22.335 1.00 0.00 H new ATOM 0 H41 DC B 2 1.856 -7.317 18.586 1.00 0.00 H new ATOM 0 H42 DC B 2 3.223 -7.439 17.473 1.00 0.00 H new ATOM 0 H5 DC B 2 2.133 -7.333 21.001 1.00 0.00 H new ATOM 0 H6 DC B 2 3.730 -7.561 22.815 1.00 0.00 H new ATOM 315 P DG B 3 8.592 -5.172 25.126 1.00 0.00 P ATOM 316 OP1 DG B 3 9.762 -5.164 26.032 1.00 0.00 O ATOM 317 OP2 DG B 3 7.540 -4.141 25.274 1.00 0.00 O ATOM 318 O5' DG B 3 9.127 -5.152 23.602 1.00 0.00 O ATOM 319 C5' DG B 3 10.153 -6.043 23.203 1.00 0.00 C ATOM 320 C4' DG B 3 10.683 -5.773 21.805 1.00 0.00 C ATOM 321 O4' DG B 3 9.678 -5.933 20.820 1.00 0.00 O ATOM 322 C3' DG B 3 11.243 -4.351 21.771 1.00 0.00 C ATOM 323 O3' DG B 3 12.614 -4.363 21.416 1.00 0.00 O ATOM 324 C2' DG B 3 10.311 -3.703 20.764 1.00 0.00 C ATOM 325 C1' DG B 3 9.735 -4.839 19.930 1.00 0.00 C ATOM 326 N9 DG B 3 8.364 -4.559 19.451 1.00 0.00 N ATOM 327 C8 DG B 3 7.253 -4.261 20.196 1.00 0.00 C ATOM 328 N7 DG B 3 6.128 -4.350 19.548 1.00 0.00 N ATOM 329 C5 DG B 3 6.521 -4.705 18.264 1.00 0.00 C ATOM 330 C6 DG B 3 5.733 -5.002 17.115 1.00 0.00 C ATOM 331 O6 DG B 3 4.512 -5.123 17.052 1.00 0.00 O ATOM 332 N1 DG B 3 6.510 -5.162 15.971 1.00 0.00 N ATOM 333 C2 DG B 3 7.893 -5.140 15.954 1.00 0.00 C ATOM 334 N2 DG B 3 8.500 -5.320 14.777 1.00 0.00 N ATOM 335 N3 DG B 3 8.636 -4.978 17.059 1.00 0.00 N ATOM 336 C4 DG B 3 7.892 -4.756 18.176 1.00 0.00 C ATOM 0 H5' DG B 3 9.774 -7.064 23.248 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.977 -5.977 23.914 1.00 0.00 H new ATOM 0 H4' DG B 3 11.466 -6.496 21.576 1.00 0.00 H new ATOM 0 H3' DG B 3 11.256 -3.809 22.716 1.00 0.00 H new ATOM 0 H2' DG B 3 9.519 -3.148 21.267 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.849 -2.992 20.136 1.00 0.00 H new ATOM 0 H1' DG B 3 10.346 -5.005 19.043 1.00 0.00 H new ATOM 0 H8 DG B 3 7.307 -3.976 21.236 1.00 0.00 H new ATOM 0 H1 DG B 3 6.026 -5.305 15.084 1.00 0.00 H new ATOM 0 H21 DG B 3 9.518 -5.311 14.722 1.00 0.00 H new ATOM 0 H22 DG B 3 7.945 -5.467 13.934 1.00 0.00 H new ATOM 348 P DT B 4 13.480 -3.005 21.245 1.00 0.00 P ATOM 349 OP1 DT B 4 14.915 -3.363 21.259 1.00 0.00 O ATOM 350 OP2 DT B 4 12.962 -1.982 22.180 1.00 0.00 O ATOM 351 O5' DT B 4 13.077 -2.579 19.744 1.00 0.00 O ATOM 352 C5' DT B 4 13.295 -3.479 18.681 1.00 0.00 C ATOM 353 C4' DT B 4 12.634 -3.065 17.371 1.00 0.00 C ATOM 354 O4' DT B 4 11.231 -3.139 17.497 1.00 0.00 O ATOM 355 C3' DT B 4 13.003 -1.650 16.903 1.00 0.00 C ATOM 356 O3' DT B 4 13.728 -1.736 15.690 1.00 0.00 O ATOM 357 C2' DT B 4 11.628 -0.996 16.775 1.00 0.00 C ATOM 358 C1' DT B 4 10.695 -2.190 16.611 1.00 0.00 C ATOM 359 N1 DT B 4 9.311 -1.829 16.988 1.00 0.00 N ATOM 360 C2 DT B 4 8.286 -1.894 16.044 1.00 0.00 C ATOM 361 O2 DT B 4 8.476 -2.109 14.849 1.00 0.00 O ATOM 362 N3 DT B 4 7.001 -1.698 16.531 1.00 0.00 N ATOM 363 C4 DT B 4 6.664 -1.399 17.846 1.00 0.00 C ATOM 364 O4 DT B 4 5.485 -1.269 18.165 1.00 0.00 O ATOM 365 C5 DT B 4 7.802 -1.268 18.738 1.00 0.00 C ATOM 366 C7 DT B 4 7.606 -0.893 20.189 1.00 0.00 C ATOM 367 C6 DT B 4 9.058 -1.488 18.289 1.00 0.00 C ATOM 0 H5' DT B 4 12.922 -4.462 18.969 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.368 -3.580 18.518 1.00 0.00 H new ATOM 0 H4' DT B 4 13.008 -3.762 16.621 1.00 0.00 H new ATOM 0 H3' DT B 4 13.654 -1.075 17.562 1.00 0.00 H new ATOM 0 H2' DT B 4 11.378 -0.406 17.657 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.579 -0.324 15.918 1.00 0.00 H new ATOM 0 H1' DT B 4 10.635 -2.553 15.585 1.00 0.00 H new ATOM 0 H3 DT B 4 6.234 -1.781 15.863 1.00 0.00 H new ATOM 0 H71 DT B 4 8.399 -1.338 20.790 1.00 0.00 H new ATOM 0 H72 DT B 4 7.637 0.192 20.292 1.00 0.00 H new ATOM 0 H73 DT B 4 6.640 -1.262 20.533 1.00 0.00 H new ATOM 0 H6 DT B 4 9.885 -1.392 18.977 1.00 0.00 H new ATOM 380 P DA B 5 14.237 -0.432 14.890 1.00 0.00 P ATOM 381 OP1 DA B 5 15.444 -0.802 14.118 1.00 0.00 O ATOM 382 OP2 DA B 5 14.281 0.715 15.825 1.00 0.00 O ATOM 383 O5' DA B 5 13.025 -0.197 13.857 1.00 0.00 O ATOM 384 C5' DA B 5 12.740 -1.142 12.844 1.00 0.00 C ATOM 385 C4' DA B 5 11.587 -0.645 11.970 1.00 0.00 C ATOM 386 O4' DA B 5 10.385 -0.583 12.719 1.00 0.00 O ATOM 387 C3' DA B 5 11.860 0.751 11.387 1.00 0.00 C ATOM 388 O3' DA B 5 11.785 0.656 9.976 1.00 0.00 O ATOM 389 C2' DA B 5 10.766 1.592 12.052 1.00 0.00 C ATOM 390 C1' DA B 5 9.664 0.556 12.299 1.00 0.00 C ATOM 391 N9 DA B 5 8.726 0.965 13.367 1.00 0.00 N ATOM 392 C8 DA B 5 9.069 1.365 14.625 1.00 0.00 C ATOM 393 N7 DA B 5 8.085 1.421 15.475 1.00 0.00 N ATOM 394 C5 DA B 5 6.984 1.077 14.702 1.00 0.00 C ATOM 395 C6 DA B 5 5.614 0.946 15.004 1.00 0.00 C ATOM 396 N6 DA B 5 5.140 1.058 16.249 1.00 0.00 N ATOM 397 N1 DA B 5 4.758 0.671 14.001 1.00 0.00 N ATOM 398 C2 DA B 5 5.242 0.506 12.772 1.00 0.00 C ATOM 399 N3 DA B 5 6.512 0.547 12.368 1.00 0.00 N ATOM 400 C4 DA B 5 7.352 0.845 13.398 1.00 0.00 C ATOM 0 H5' DA B 5 12.479 -2.100 13.293 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.626 -1.308 12.231 1.00 0.00 H new ATOM 0 H4' DA B 5 11.492 -1.358 11.151 1.00 0.00 H new ATOM 0 H3' DA B 5 12.838 1.192 11.576 1.00 0.00 H new ATOM 0 H2' DA B 5 11.111 2.048 12.980 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.426 2.402 11.406 1.00 0.00 H new ATOM 0 H1' DA B 5 9.049 0.405 11.412 1.00 0.00 H new ATOM 0 H8 DA B 5 10.084 1.617 14.896 1.00 0.00 H new ATOM 0 H61 DA B 5 4.140 0.956 16.425 1.00 0.00 H new ATOM 0 H62 DA B 5 5.778 1.245 17.023 1.00 0.00 H new ATOM 0 H2 DA B 5 4.510 0.314 12.001 1.00 0.00 H new ATOM 412 P DC B 6 11.944 1.930 9.002 1.00 0.00 P ATOM 413 OP1 DC B 6 12.327 1.444 7.658 1.00 0.00 O ATOM 414 OP2 DC B 6 12.764 2.957 9.682 1.00 0.00 O ATOM 415 O5' DC B 6 10.424 2.446 8.940 1.00 0.00 O ATOM 416 C5' DC B 6 9.391 1.604 8.466 1.00 0.00 C ATOM 417 C4' DC B 6 8.036 2.271 8.688 1.00 0.00 C ATOM 418 O4' DC B 6 7.808 2.351 10.076 1.00 0.00 O ATOM 419 C3' DC B 6 7.873 3.685 8.123 1.00 0.00 C ATOM 420 O3' DC B 6 7.183 3.685 6.884 1.00 0.00 O ATOM 421 C2' DC B 6 7.135 4.415 9.242 1.00 0.00 C ATOM 422 C1' DC B 6 6.826 3.335 10.263 1.00 0.00 C ATOM 423 N1 DC B 6 6.846 3.844 11.658 1.00 0.00 N ATOM 424 C2 DC B 6 5.665 3.834 12.395 1.00 0.00 C ATOM 425 O2 DC B 6 4.578 3.618 11.865 1.00 0.00 O ATOM 426 N3 DC B 6 5.733 4.070 13.733 1.00 0.00 N ATOM 427 C4 DC B 6 6.898 4.343 14.336 1.00 0.00 C ATOM 428 N4 DC B 6 6.900 4.502 15.663 1.00 0.00 N ATOM 429 C5 DC B 6 8.122 4.418 13.587 1.00 0.00 C ATOM 430 C6 DC B 6 8.038 4.168 12.259 1.00 0.00 C ATOM 0 H5' DC B 6 9.424 0.646 8.984 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.536 1.398 7.405 1.00 0.00 H new ATOM 0 H4' DC B 6 7.324 1.647 8.147 1.00 0.00 H new ATOM 0 H3' DC B 6 8.816 4.171 7.874 1.00 0.00 H new ATOM 0 H2' DC B 6 7.750 5.205 9.674 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.223 4.886 8.875 1.00 0.00 H new ATOM 0 H1' DC B 6 5.818 2.947 10.116 1.00 0.00 H new ATOM 0 H41 DC B 6 7.771 4.711 16.150 1.00 0.00 H new ATOM 0 H42 DC B 6 6.030 4.415 16.188 1.00 0.00 H new ATOM 0 H5 DC B 6 9.062 4.662 14.060 1.00 0.00 H new ATOM 0 H6 DC B 6 8.932 4.225 11.656 1.00 0.00 H new ATOM 442 P DG B 7 6.837 5.053 6.090 1.00 0.00 P ATOM 443 OP1 DG B 7 6.544 4.706 4.681 1.00 0.00 O ATOM 444 OP2 DG B 7 7.880 6.056 6.398 1.00 0.00 O ATOM 445 O5' DG B 7 5.459 5.528 6.788 1.00 0.00 O ATOM 446 C5' DG B 7 4.294 4.732 6.696 1.00 0.00 C ATOM 447 C4' DG B 7 3.108 5.309 7.471 1.00 0.00 C ATOM 448 O4' DG B 7 3.351 5.261 8.869 1.00 0.00 O ATOM 449 C3' DG B 7 2.826 6.765 7.075 1.00 0.00 C ATOM 450 O3' DG B 7 1.447 6.933 6.792 1.00 0.00 O ATOM 451 C2' DG B 7 3.298 7.497 8.322 1.00 0.00 C ATOM 452 C1' DG B 7 2.955 6.499 9.419 1.00 0.00 C ATOM 453 N9 DG B 7 3.700 6.778 10.666 1.00 0.00 N ATOM 454 C8 DG B 7 5.028 7.085 10.800 1.00 0.00 C ATOM 455 N7 DG B 7 5.446 7.140 12.033 1.00 0.00 N ATOM 456 C5 DG B 7 4.298 6.896 12.779 1.00 0.00 C ATOM 457 C6 DG B 7 4.116 6.867 14.194 1.00 0.00 C ATOM 458 O6 DG B 7 4.976 6.951 15.066 1.00 0.00 O ATOM 459 N1 DG B 7 2.780 6.725 14.556 1.00 0.00 N ATOM 460 C2 DG B 7 1.737 6.597 13.657 1.00 0.00 C ATOM 461 N2 DG B 7 0.503 6.506 14.162 1.00 0.00 N ATOM 462 N3 DG B 7 1.914 6.567 12.327 1.00 0.00 N ATOM 463 C4 DG B 7 3.212 6.727 11.952 1.00 0.00 C ATOM 0 H5' DG B 7 4.514 3.733 7.072 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.017 4.624 5.647 1.00 0.00 H new ATOM 0 H4' DG B 7 2.241 4.698 7.221 1.00 0.00 H new ATOM 0 H3' DG B 7 3.319 7.124 6.171 1.00 0.00 H new ATOM 0 H2' DG B 7 4.365 7.716 8.288 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.782 8.447 8.458 1.00 0.00 H new ATOM 0 H1' DG B 7 1.902 6.533 9.698 1.00 0.00 H new ATOM 0 H8 DG B 7 5.675 7.266 9.954 1.00 0.00 H new ATOM 0 H1 DG B 7 2.555 6.715 15.551 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.298 6.410 13.538 1.00 0.00 H new ATOM 0 H22 DG B 7 0.362 6.532 15.172 1.00 0.00 H new ATOM 475 P DC B 8 0.822 8.364 6.379 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.419 8.125 5.609 1.00 0.00 O ATOM 477 OP2 DC B 8 1.895 9.208 5.807 1.00 0.00 O ATOM 478 O5' DC B 8 0.420 8.963 7.819 1.00 0.00 O ATOM 479 C5' DC B 8 -0.681 8.442 8.534 1.00 0.00 C ATOM 480 C4' DC B 8 -0.763 9.036 9.941 1.00 0.00 C ATOM 481 O4' DC B 8 0.397 8.713 10.670 1.00 0.00 O ATOM 482 C3' DC B 8 -0.845 10.562 9.987 1.00 0.00 C ATOM 483 O3' DC B 8 -2.166 11.035 9.832 1.00 0.00 O ATOM 484 C2' DC B 8 -0.288 10.872 11.376 1.00 0.00 C ATOM 485 C1' DC B 8 0.445 9.586 11.779 1.00 0.00 C ATOM 486 N1 DC B 8 1.855 9.857 12.167 1.00 0.00 N ATOM 487 C2 DC B 8 2.195 9.880 13.521 1.00 0.00 C ATOM 488 O2 DC B 8 1.345 9.759 14.400 1.00 0.00 O ATOM 489 N3 DC B 8 3.506 10.040 13.857 1.00 0.00 N ATOM 490 C4 DC B 8 4.454 10.188 12.920 1.00 0.00 C ATOM 491 N4 DC B 8 5.727 10.286 13.313 1.00 0.00 N ATOM 492 C5 DC B 8 4.121 10.209 11.522 1.00 0.00 C ATOM 493 C6 DC B 8 2.817 10.038 11.202 1.00 0.00 C ATOM 0 H5' DC B 8 -0.594 7.357 8.600 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.603 8.656 7.993 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.679 8.613 10.354 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.300 11.047 9.177 1.00 0.00 H new ATOM 0 H2' DC B 8 0.389 11.726 11.353 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.084 11.115 12.080 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.169 12.014 9.870 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.037 9.141 12.649 1.00 0.00 H new ATOM 0 H41 DC B 8 6.467 10.399 12.620 1.00 0.00 H new ATOM 0 H42 DC B 8 5.959 10.248 14.306 1.00 0.00 H new ATOM 0 H5 DC B 8 4.875 10.354 10.763 1.00 0.00 H new ATOM 0 H6 DC B 8 2.525 10.044 10.162 1.00 0.00 H new TER 506 DC B 8