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= -0.268 (180deg=-0.268) 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= -0.262 (180deg=-0.262) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.604 12.955 24.353 1.00 0.00 O ATOM 2 C5' DG A 1 5.359 11.580 24.557 1.00 0.00 C ATOM 3 C4' DG A 1 4.020 11.183 23.922 1.00 0.00 C ATOM 4 O4' DG A 1 4.092 11.360 22.512 1.00 0.00 O ATOM 5 C3' DG A 1 3.672 9.715 24.196 1.00 0.00 C ATOM 6 O3' DG A 1 2.266 9.556 24.291 1.00 0.00 O ATOM 7 C2' DG A 1 4.251 9.090 22.938 1.00 0.00 C ATOM 8 C1' DG A 1 3.837 10.116 21.892 1.00 0.00 C ATOM 9 N9 DG A 1 4.593 9.964 20.622 1.00 0.00 N ATOM 10 C8 DG A 1 5.955 9.957 20.413 1.00 0.00 C ATOM 11 N7 DG A 1 6.303 9.832 19.163 1.00 0.00 N ATOM 12 C5 DG A 1 5.094 9.762 18.483 1.00 0.00 C ATOM 13 C6 DG A 1 4.838 9.656 17.083 1.00 0.00 C ATOM 14 O6 DG A 1 5.658 9.596 16.169 1.00 0.00 O ATOM 15 N1 DG A 1 3.476 9.624 16.792 1.00 0.00 N ATOM 16 C2 DG A 1 2.474 9.703 17.743 1.00 0.00 C ATOM 17 N2 DG A 1 1.210 9.651 17.309 1.00 0.00 N ATOM 18 N3 DG A 1 2.715 9.823 19.058 1.00 0.00 N ATOM 19 C4 DG A 1 4.041 9.847 19.365 1.00 0.00 C ATOM 0 H5' DG A 1 5.344 11.360 25.624 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.166 10.990 24.122 1.00 0.00 H new ATOM 0 H4' DG A 1 3.251 11.817 24.362 1.00 0.00 H new ATOM 0 H3' DG A 1 4.051 9.287 25.124 1.00 0.00 H new ATOM 0 H2' DG A 1 5.333 8.972 22.996 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.833 8.103 22.737 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.460 13.199 24.763 1.00 0.00 H new ATOM 0 H1' DG A 1 2.794 10.003 21.598 1.00 0.00 H new ATOM 0 H8 DG A 1 6.672 10.047 21.215 1.00 0.00 H new ATOM 0 H1 DG A 1 3.199 9.537 15.814 1.00 0.00 H new ATOM 0 H21 DG A 1 0.439 9.706 17.975 1.00 0.00 H new ATOM 0 H22 DG A 1 1.017 9.557 16.312 1.00 0.00 H new ATOM 32 P DC A 2 1.570 8.119 24.549 1.00 0.00 P ATOM 33 OP1 DC A 2 0.539 8.292 25.597 1.00 0.00 O ATOM 34 OP2 DC A 2 2.627 7.099 24.725 1.00 0.00 O ATOM 35 O5' DC A 2 0.826 7.834 23.143 1.00 0.00 O ATOM 36 C5' DC A 2 -0.302 8.595 22.757 1.00 0.00 C ATOM 37 C4' DC A 2 -1.068 8.047 21.555 1.00 0.00 C ATOM 38 O4' DC A 2 -0.314 8.154 20.360 1.00 0.00 O ATOM 39 C3' DC A 2 -1.423 6.578 21.796 1.00 0.00 C ATOM 40 O3' DC A 2 -2.739 6.333 21.329 1.00 0.00 O ATOM 41 C2' DC A 2 -0.326 5.908 21.004 1.00 0.00 C ATOM 42 C1' DC A 2 -0.138 6.859 19.825 1.00 0.00 C ATOM 43 N1 DC A 2 1.228 6.736 19.271 1.00 0.00 N ATOM 44 C2 DC A 2 1.433 6.521 17.907 1.00 0.00 C ATOM 45 O2 DC A 2 0.496 6.490 17.112 1.00 0.00 O ATOM 46 N3 DC A 2 2.715 6.345 17.468 1.00 0.00 N ATOM 47 C4 DC A 2 3.750 6.351 18.323 1.00 0.00 C ATOM 48 N4 DC A 2 4.990 6.218 17.842 1.00 0.00 N ATOM 49 C5 DC A 2 3.546 6.593 19.722 1.00 0.00 C ATOM 50 C6 DC A 2 2.288 6.807 20.130 1.00 0.00 C ATOM 0 H5' DC A 2 0.024 9.610 22.530 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.984 8.661 23.604 1.00 0.00 H new ATOM 0 H4' DC A 2 -1.975 8.641 21.440 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.454 6.228 22.828 1.00 0.00 H new ATOM 0 H2' DC A 2 0.588 5.801 21.588 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.614 4.909 20.677 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.839 6.640 19.019 1.00 0.00 H new ATOM 0 H41 DC A 2 5.787 6.221 18.479 1.00 0.00 H new ATOM 0 H42 DC A 2 5.139 6.114 16.838 1.00 0.00 H new ATOM 0 H5 DC A 2 4.372 6.602 20.418 1.00 0.00 H new ATOM 0 H6 DC A 2 2.107 7.043 21.168 1.00 0.00 H new ATOM 62 P DG A 3 -3.359 4.850 21.166 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.821 4.936 21.378 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.555 3.897 21.963 1.00 0.00 O ATOM 65 O5' DG A 3 -3.088 4.574 19.597 1.00 0.00 O ATOM 66 C5' DG A 3 -3.754 5.351 18.618 1.00 0.00 C ATOM 67 C4' DG A 3 -3.550 4.847 17.200 1.00 0.00 C ATOM 68 O4' DG A 3 -2.187 4.891 16.816 1.00 0.00 O ATOM 69 C3' DG A 3 -4.081 3.416 17.118 1.00 0.00 C ATOM 70 O3' DG A 3 -5.106 3.320 16.143 1.00 0.00 O ATOM 71 C2' DG A 3 -2.806 2.657 16.805 1.00 0.00 C ATOM 72 C1' DG A 3 -1.850 3.671 16.192 1.00 0.00 C ATOM 73 N9 DG A 3 -0.432 3.374 16.489 1.00 0.00 N ATOM 74 C8 DG A 3 0.163 3.238 17.717 1.00 0.00 C ATOM 75 N7 DG A 3 1.464 3.270 17.693 1.00 0.00 N ATOM 76 C5 DG A 3 1.759 3.406 16.343 1.00 0.00 C ATOM 77 C6 DG A 3 3.018 3.552 15.692 1.00 0.00 C ATOM 78 O6 DG A 3 4.120 3.711 16.212 1.00 0.00 O ATOM 79 N1 DG A 3 2.903 3.501 14.306 1.00 0.00 N ATOM 80 C2 DG A 3 1.703 3.422 13.621 1.00 0.00 C ATOM 81 N2 DG A 3 1.754 3.393 12.286 1.00 0.00 N ATOM 82 N3 DG A 3 0.511 3.405 14.235 1.00 0.00 N ATOM 83 C4 DG A 3 0.608 3.389 15.592 1.00 0.00 C ATOM 0 H5' DG A 3 -3.403 6.381 18.683 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.821 5.364 18.840 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.093 5.495 16.512 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.574 3.026 18.009 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.382 2.218 17.708 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.000 1.837 16.113 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.946 3.673 15.106 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.402 3.114 18.629 1.00 0.00 H new ATOM 0 H1 DG A 3 3.762 3.523 13.757 1.00 0.00 H new ATOM 0 H21 DG A 3 0.892 3.335 11.744 1.00 0.00 H new ATOM 0 H22 DG A 3 2.655 3.429 11.809 1.00 0.00 H new ATOM 95 P DT A 4 -5.835 1.919 15.785 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.080 2.219 15.043 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.881 1.075 17.000 1.00 0.00 O ATOM 98 O5' DT A 4 -4.772 1.281 14.757 1.00 0.00 O ATOM 99 C5' DT A 4 -4.408 1.995 13.597 1.00 0.00 C ATOM 100 C4' DT A 4 -3.211 1.409 12.855 1.00 0.00 C ATOM 101 O4' DT A 4 -2.045 1.556 13.636 1.00 0.00 O ATOM 102 C3' DT A 4 -3.366 -0.076 12.493 1.00 0.00 C ATOM 103 O3' DT A 4 -3.404 -0.207 11.083 1.00 0.00 O ATOM 104 C2' DT A 4 -2.131 -0.688 13.153 1.00 0.00 C ATOM 105 C1' DT A 4 -1.186 0.502 13.281 1.00 0.00 C ATOM 106 N1 DT A 4 -0.177 0.259 14.335 1.00 0.00 N ATOM 107 C2 DT A 4 1.179 0.216 14.012 1.00 0.00 C ATOM 108 O2 DT A 4 1.603 0.235 12.859 1.00 0.00 O ATOM 109 N3 DT A 4 2.056 0.149 15.087 1.00 0.00 N ATOM 110 C4 DT A 4 1.698 0.072 16.427 1.00 0.00 C ATOM 111 O4 DT A 4 2.565 0.041 17.296 1.00 0.00 O ATOM 112 C5 DT A 4 0.265 0.036 16.661 1.00 0.00 C ATOM 113 C7 DT A 4 -0.285 -0.102 18.061 1.00 0.00 C ATOM 114 C6 DT A 4 -0.603 0.134 15.629 1.00 0.00 C ATOM 0 H5' DT A 4 -4.182 3.025 13.873 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.262 2.027 12.920 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.142 1.965 11.920 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.279 -0.566 12.832 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.366 -1.123 14.124 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.700 -1.482 12.544 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.620 0.703 12.372 1.00 0.00 H new ATOM 0 H3 DT A 4 3.053 0.157 14.873 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.251 0.399 18.123 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.408 -1.158 18.301 1.00 0.00 H new ATOM 0 H73 DT A 4 0.406 0.354 18.770 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.664 0.113 15.832 1.00 0.00 H new ATOM 127 P DA A 5 -3.516 -1.639 10.350 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.177 -1.440 9.042 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.058 -2.627 11.310 1.00 0.00 O ATOM 130 O5' DA A 5 -1.966 -1.986 10.088 1.00 0.00 O ATOM 131 C5' DA A 5 -1.183 -1.201 9.209 1.00 0.00 C ATOM 132 C4' DA A 5 0.226 -1.783 9.097 1.00 0.00 C ATOM 133 O4' DA A 5 0.908 -1.680 10.336 1.00 0.00 O ATOM 134 C3' DA A 5 0.213 -3.262 8.679 1.00 0.00 C ATOM 135 O3' DA A 5 0.969 -3.386 7.488 1.00 0.00 O ATOM 136 C2' DA A 5 0.809 -3.946 9.914 1.00 0.00 C ATOM 137 C1' DA A 5 1.693 -2.842 10.503 1.00 0.00 C ATOM 138 N9 DA A 5 1.974 -3.042 11.941 1.00 0.00 N ATOM 139 C8 DA A 5 1.045 -3.256 12.917 1.00 0.00 C ATOM 140 N7 DA A 5 1.487 -3.139 14.136 1.00 0.00 N ATOM 141 C5 DA A 5 2.839 -2.877 13.954 1.00 0.00 C ATOM 142 C6 DA A 5 3.893 -2.645 14.861 1.00 0.00 C ATOM 143 N6 DA A 5 3.695 -2.543 16.179 1.00 0.00 N ATOM 144 N1 DA A 5 5.139 -2.496 14.374 1.00 0.00 N ATOM 145 C2 DA A 5 5.323 -2.544 13.056 1.00 0.00 C ATOM 146 N3 DA A 5 4.410 -2.697 12.097 1.00 0.00 N ATOM 147 C4 DA A 5 3.163 -2.865 12.618 1.00 0.00 C ATOM 0 H5' DA A 5 -1.133 -0.175 9.573 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.650 -1.168 8.225 1.00 0.00 H new ATOM 0 H4' DA A 5 0.738 -1.204 8.328 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.752 -3.706 8.434 1.00 0.00 H new ATOM 0 H2' DA A 5 0.037 -4.266 10.614 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.386 -4.832 9.649 1.00 0.00 H new ATOM 0 H1' DA A 5 2.668 -2.808 10.017 1.00 0.00 H new ATOM 0 H8 DA A 5 0.018 -3.504 12.695 1.00 0.00 H new ATOM 0 H61 DA A 5 4.485 -2.375 16.802 1.00 0.00 H new ATOM 0 H62 DA A 5 2.754 -2.633 16.562 1.00 0.00 H new ATOM 0 H2 DA A 5 6.345 -2.446 12.720 1.00 0.00 H new ATOM 159 P DC A 6 1.253 -4.802 6.772 1.00 0.00 P ATOM 160 OP1 DC A 6 1.592 -4.547 5.354 1.00 0.00 O ATOM 161 OP2 DC A 6 0.164 -5.743 7.117 1.00 0.00 O ATOM 162 O5' DC A 6 2.588 -5.259 7.539 1.00 0.00 O ATOM 163 C5' DC A 6 3.754 -4.460 7.504 1.00 0.00 C ATOM 164 C4' DC A 6 4.801 -5.029 8.456 1.00 0.00 C ATOM 165 O4' DC A 6 4.321 -4.885 9.774 1.00 0.00 O ATOM 166 C3' DC A 6 5.162 -6.505 8.268 1.00 0.00 C ATOM 167 O3' DC A 6 6.368 -6.667 7.540 1.00 0.00 O ATOM 168 C2' DC A 6 5.231 -7.024 9.702 1.00 0.00 C ATOM 169 C1' DC A 6 5.046 -5.788 10.565 1.00 0.00 C ATOM 170 N1 DC A 6 4.329 -6.077 11.832 1.00 0.00 N ATOM 171 C2 DC A 6 5.001 -5.906 13.040 1.00 0.00 C ATOM 172 O2 DC A 6 6.216 -5.732 13.080 1.00 0.00 O ATOM 173 N3 DC A 6 4.279 -5.934 14.193 1.00 0.00 N ATOM 174 C4 DC A 6 2.958 -6.156 14.185 1.00 0.00 C ATOM 175 N4 DC A 6 2.302 -6.107 15.349 1.00 0.00 N ATOM 176 C5 DC A 6 2.252 -6.394 12.956 1.00 0.00 C ATOM 177 C6 DC A 6 2.982 -6.349 11.818 1.00 0.00 C ATOM 0 H5' DC A 6 3.512 -3.435 7.786 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.152 -4.426 6.490 1.00 0.00 H new ATOM 0 H4' DC A 6 5.710 -4.467 8.240 1.00 0.00 H new ATOM 0 H3' DC A 6 4.441 -7.062 7.669 1.00 0.00 H new ATOM 0 H2' DC A 6 4.452 -7.762 9.894 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.186 -7.509 9.903 1.00 0.00 H new ATOM 0 H1' DC A 6 6.012 -5.387 10.871 1.00 0.00 H new ATOM 0 H41 DC A 6 1.296 -6.272 15.375 1.00 0.00 H new ATOM 0 H42 DC A 6 2.808 -5.905 16.211 1.00 0.00 H new ATOM 0 H5 DC A 6 1.192 -6.599 12.942 1.00 0.00 H new ATOM 0 H6 DC A 6 2.493 -6.532 10.873 1.00 0.00 H new ATOM 189 P DG A 7 7.004 -8.126 7.237 1.00 0.00 P ATOM 190 OP1 DG A 7 7.960 -7.987 6.116 1.00 0.00 O ATOM 191 OP2 DG A 7 5.904 -9.112 7.148 1.00 0.00 O ATOM 192 O5' DG A 7 7.846 -8.430 8.582 1.00 0.00 O ATOM 193 C5' DG A 7 8.939 -7.611 8.948 1.00 0.00 C ATOM 194 C4' DG A 7 9.572 -8.013 10.281 1.00 0.00 C ATOM 195 O4' DG A 7 8.680 -7.761 11.357 1.00 0.00 O ATOM 196 C3' DG A 7 9.954 -9.500 10.302 1.00 0.00 C ATOM 197 O3' DG A 7 11.288 -9.653 10.757 1.00 0.00 O ATOM 198 C2' DG A 7 8.905 -10.050 11.256 1.00 0.00 C ATOM 199 C1' DG A 7 8.707 -8.884 12.212 1.00 0.00 C ATOM 200 N9 DG A 7 7.438 -8.998 12.963 1.00 0.00 N ATOM 201 C8 DG A 7 6.203 -9.337 12.477 1.00 0.00 C ATOM 202 N7 DG A 7 5.234 -9.220 13.340 1.00 0.00 N ATOM 203 C5 DG A 7 5.879 -8.817 14.504 1.00 0.00 C ATOM 204 C6 DG A 7 5.347 -8.565 15.804 1.00 0.00 C ATOM 205 O6 DG A 7 4.169 -8.551 16.146 1.00 0.00 O ATOM 206 N1 DG A 7 6.341 -8.312 16.745 1.00 0.00 N ATOM 207 C2 DG A 7 7.693 -8.279 16.463 1.00 0.00 C ATOM 208 N2 DG A 7 8.527 -8.060 17.485 1.00 0.00 N ATOM 209 N3 DG A 7 8.191 -8.461 15.229 1.00 0.00 N ATOM 210 C4 DG A 7 7.236 -8.731 14.297 1.00 0.00 C ATOM 0 H5' DG A 7 8.604 -6.575 9.009 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.696 -7.655 8.165 1.00 0.00 H new ATOM 0 H4' DG A 7 10.474 -7.412 10.395 1.00 0.00 H new ATOM 0 H3' DG A 7 9.952 -10.013 9.340 1.00 0.00 H new ATOM 0 H2' DG A 7 7.983 -10.316 10.739 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.251 -10.946 11.771 1.00 0.00 H new ATOM 0 H1' DG A 7 9.488 -8.834 12.971 1.00 0.00 H new ATOM 0 H8 DG A 7 6.046 -9.673 11.463 1.00 0.00 H new ATOM 0 H1 DG A 7 6.052 -8.139 17.708 1.00 0.00 H new ATOM 0 H21 DG A 7 9.534 -8.027 17.324 1.00 0.00 H new ATOM 0 H22 DG A 7 8.156 -7.926 18.426 1.00 0.00 H new ATOM 222 P DC A 8 11.978 -11.103 10.927 1.00 0.00 P ATOM 223 OP1 DC A 8 13.445 -10.934 10.833 1.00 0.00 O ATOM 224 OP2 DC A 8 11.288 -12.068 10.041 1.00 0.00 O ATOM 225 O5' DC A 8 11.602 -11.456 12.452 1.00 0.00 O ATOM 226 C5' DC A 8 12.234 -10.787 13.523 1.00 0.00 C ATOM 227 C4' DC A 8 11.596 -11.152 14.864 1.00 0.00 C ATOM 228 O4' DC A 8 10.240 -10.772 14.873 1.00 0.00 O ATOM 229 C3' DC A 8 11.585 -12.649 15.180 1.00 0.00 C ATOM 230 O3' DC A 8 12.795 -13.086 15.762 1.00 0.00 O ATOM 231 C2' DC A 8 10.409 -12.766 16.148 1.00 0.00 C ATOM 232 C1' DC A 8 9.623 -11.466 15.937 1.00 0.00 C ATOM 233 N1 DC A 8 8.194 -11.732 15.625 1.00 0.00 N ATOM 234 C2 DC A 8 7.235 -11.562 16.625 1.00 0.00 C ATOM 235 O2 DC A 8 7.552 -11.273 17.777 1.00 0.00 O ATOM 236 N3 DC A 8 5.923 -11.723 16.299 1.00 0.00 N ATOM 237 C4 DC A 8 5.548 -12.053 15.054 1.00 0.00 C ATOM 238 N4 DC A 8 4.242 -12.144 14.785 1.00 0.00 N ATOM 239 C5 DC A 8 6.520 -12.273 14.018 1.00 0.00 C ATOM 240 C6 DC A 8 7.820 -12.099 14.354 1.00 0.00 C ATOM 0 H5' DC A 8 12.170 -9.710 13.369 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.293 -11.044 13.540 1.00 0.00 H new ATOM 0 H4' DC A 8 12.209 -10.631 15.600 1.00 0.00 H new ATOM 0 H3' DC A 8 11.485 -13.275 14.293 1.00 0.00 H new ATOM 0 H2' DC A 8 9.798 -13.642 15.929 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.749 -12.864 17.179 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.741 -14.047 15.948 1.00 0.00 H new ATOM 0 H1' DC A 8 9.636 -10.873 16.852 1.00 0.00 H new ATOM 0 H41 DC A 8 3.931 -12.393 13.846 1.00 0.00 H new ATOM 0 H42 DC A 8 3.557 -11.964 15.519 1.00 0.00 H new ATOM 0 H5 DC A 8 6.227 -12.563 13.020 1.00 0.00 H new ATOM 0 H6 DC A 8 8.582 -12.252 13.605 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.116 -13.054 24.737 1.00 0.00 O ATOM 255 C5' DG B 1 -0.954 -11.656 24.840 1.00 0.00 C ATOM 256 C4' DG B 1 0.539 -11.307 24.887 1.00 0.00 C ATOM 257 O4' DG B 1 1.155 -11.705 23.667 1.00 0.00 O ATOM 258 C3' DG B 1 0.769 -9.801 25.064 1.00 0.00 C ATOM 259 O3' DG B 1 1.955 -9.573 25.806 1.00 0.00 O ATOM 260 C2' DG B 1 0.903 -9.404 23.604 1.00 0.00 C ATOM 261 C1' DG B 1 1.731 -10.563 23.065 1.00 0.00 C ATOM 262 N9 DG B 1 1.695 -10.641 21.582 1.00 0.00 N ATOM 263 C8 DG B 1 0.608 -10.722 20.738 1.00 0.00 C ATOM 264 N7 DG B 1 0.918 -10.807 19.475 1.00 0.00 N ATOM 265 C5 DG B 1 2.307 -10.793 19.468 1.00 0.00 C ATOM 266 C6 DG B 1 3.216 -10.894 18.372 1.00 0.00 C ATOM 267 O6 DG B 1 2.948 -11.009 17.178 1.00 0.00 O ATOM 268 N1 DG B 1 4.548 -10.851 18.780 1.00 0.00 N ATOM 269 C2 DG B 1 4.956 -10.741 20.098 1.00 0.00 C ATOM 270 N2 DG B 1 6.272 -10.704 20.331 1.00 0.00 N ATOM 271 N3 DG B 1 4.101 -10.666 21.130 1.00 0.00 N ATOM 272 C4 DG B 1 2.793 -10.697 20.751 1.00 0.00 C ATOM 0 H5' DG B 1 -1.451 -11.288 25.738 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.425 -11.163 23.990 1.00 0.00 H new ATOM 0 H4' DG B 1 0.970 -11.831 25.740 1.00 0.00 H new ATOM 0 H3' DG B 1 0.004 -9.249 25.610 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.064 -9.322 23.108 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.406 -8.445 23.482 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.071 -13.271 24.709 1.00 0.00 H new ATOM 0 H1' DG B 1 2.789 -10.455 23.302 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.412 -10.716 21.093 1.00 0.00 H new ATOM 0 H1 DG B 1 5.269 -10.904 18.060 1.00 0.00 H new ATOM 0 H21 DG B 1 6.619 -10.623 21.287 1.00 0.00 H new ATOM 0 H22 DG B 1 6.929 -10.756 19.553 1.00 0.00 H new ATOM 285 P DC B 2 2.496 -8.086 26.143 1.00 0.00 P ATOM 286 OP1 DC B 2 2.879 -8.052 27.572 1.00 0.00 O ATOM 287 OP2 DC B 2 1.528 -7.095 25.622 1.00 0.00 O ATOM 288 O5' DC B 2 3.840 -7.993 25.251 1.00 0.00 O ATOM 289 C5' DC B 2 4.982 -8.758 25.585 1.00 0.00 C ATOM 290 C4' DC B 2 6.257 -8.372 24.840 1.00 0.00 C ATOM 291 O4' DC B 2 6.176 -8.694 23.462 1.00 0.00 O ATOM 292 C3' DC B 2 6.509 -6.871 24.992 1.00 0.00 C ATOM 293 O3' DC B 2 7.895 -6.647 25.193 1.00 0.00 O ATOM 294 C2' DC B 2 5.964 -6.376 23.674 1.00 0.00 C ATOM 295 C1' DC B 2 6.335 -7.504 22.716 1.00 0.00 C ATOM 296 N1 DC B 2 5.417 -7.524 21.556 1.00 0.00 N ATOM 297 C2 DC B 2 5.910 -7.532 20.250 1.00 0.00 C ATOM 298 O2 DC B 2 7.116 -7.586 20.017 1.00 0.00 O ATOM 299 N3 DC B 2 5.012 -7.479 19.222 1.00 0.00 N ATOM 300 C4 DC B 2 3.692 -7.394 19.454 1.00 0.00 C ATOM 301 N4 DC B 2 2.850 -7.388 18.417 1.00 0.00 N ATOM 302 C5 DC B 2 3.180 -7.408 20.794 1.00 0.00 C ATOM 303 C6 DC B 2 4.071 -7.505 21.790 1.00 0.00 C ATOM 0 H5' DC B 2 4.768 -9.808 25.388 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.163 -8.665 26.656 1.00 0.00 H new ATOM 0 H4' DC B 2 7.080 -8.939 25.275 1.00 0.00 H new ATOM 0 H3' DC B 2 6.048 -6.365 25.840 1.00 0.00 H new ATOM 0 H2' DC B 2 4.886 -6.217 23.715 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.415 -5.429 23.379 1.00 0.00 H new ATOM 0 H1' DC B 2 7.347 -7.384 22.331 1.00 0.00 H new ATOM 0 H41 DC B 2 1.845 -7.324 18.577 1.00 0.00 H new ATOM 0 H42 DC B 2 3.212 -7.447 17.465 1.00 0.00 H new ATOM 0 H5 DC B 2 2.120 -7.343 20.992 1.00 0.00 H new ATOM 0 H6 DC B 2 3.715 -7.570 22.808 1.00 0.00 H new ATOM 315 P DG B 3 8.575 -5.184 25.124 1.00 0.00 P ATOM 316 OP1 DG B 3 9.745 -5.176 26.031 1.00 0.00 O ATOM 317 OP2 DG B 3 7.525 -4.152 25.270 1.00 0.00 O ATOM 318 O5' DG B 3 9.113 -5.165 23.600 1.00 0.00 O ATOM 319 C5' DG B 3 10.139 -6.057 23.203 1.00 0.00 C ATOM 320 C4' DG B 3 10.671 -5.788 21.806 1.00 0.00 C ATOM 321 O4' DG B 3 9.666 -5.946 20.820 1.00 0.00 O ATOM 322 C3' DG B 3 11.233 -4.367 21.772 1.00 0.00 C ATOM 323 O3' DG B 3 12.605 -4.382 21.417 1.00 0.00 O ATOM 324 C2' DG B 3 10.303 -3.718 20.765 1.00 0.00 C ATOM 325 C1' DG B 3 9.726 -4.852 19.930 1.00 0.00 C ATOM 326 N9 DG B 3 8.355 -4.570 19.451 1.00 0.00 N ATOM 327 C8 DG B 3 7.244 -4.270 20.196 1.00 0.00 C ATOM 328 N7 DG B 3 6.119 -4.358 19.547 1.00 0.00 N ATOM 329 C5 DG B 3 6.513 -4.713 18.263 1.00 0.00 C ATOM 330 C6 DG B 3 5.724 -5.009 17.114 1.00 0.00 C ATOM 331 O6 DG B 3 4.503 -5.129 17.051 1.00 0.00 O ATOM 332 N1 DG B 3 6.501 -5.168 15.970 1.00 0.00 N ATOM 333 C2 DG B 3 7.884 -5.148 15.953 1.00 0.00 C ATOM 334 N2 DG B 3 8.491 -5.328 14.776 1.00 0.00 N ATOM 335 N3 DG B 3 8.627 -4.988 17.059 1.00 0.00 N ATOM 336 C4 DG B 3 7.883 -4.765 18.176 1.00 0.00 C ATOM 0 H5' DG B 3 9.759 -7.078 23.248 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.962 -5.991 23.915 1.00 0.00 H new ATOM 0 H4' DG B 3 11.453 -6.512 21.578 1.00 0.00 H new ATOM 0 H3' DG B 3 11.247 -3.824 22.717 1.00 0.00 H new ATOM 0 H2' DG B 3 9.511 -3.162 21.268 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.842 -3.008 20.138 1.00 0.00 H new ATOM 0 H1' DG B 3 10.338 -5.019 19.043 1.00 0.00 H new ATOM 0 H8 DG B 3 7.298 -3.984 21.236 1.00 0.00 H new ATOM 0 H1 DG B 3 6.017 -5.309 15.083 1.00 0.00 H new ATOM 0 H21 DG B 3 9.509 -5.320 14.721 1.00 0.00 H new ATOM 0 H22 DG B 3 7.936 -5.473 13.933 1.00 0.00 H new ATOM 348 P DT B 4 13.473 -3.026 21.246 1.00 0.00 P ATOM 349 OP1 DT B 4 14.908 -3.388 21.260 1.00 0.00 O ATOM 350 OP2 DT B 4 12.958 -2.003 22.182 1.00 0.00 O ATOM 351 O5' DT B 4 13.072 -2.598 19.746 1.00 0.00 O ATOM 352 C5' DT B 4 13.288 -3.498 18.682 1.00 0.00 C ATOM 353 C4' DT B 4 12.628 -3.083 17.372 1.00 0.00 C ATOM 354 O4' DT B 4 11.224 -3.154 17.499 1.00 0.00 O ATOM 355 C3' DT B 4 13.000 -1.668 16.905 1.00 0.00 C ATOM 356 O3' DT B 4 13.724 -1.755 15.691 1.00 0.00 O ATOM 357 C2' DT B 4 11.626 -1.011 16.777 1.00 0.00 C ATOM 358 C1' DT B 4 10.690 -2.203 16.613 1.00 0.00 C ATOM 359 N1 DT B 4 9.307 -1.840 16.990 1.00 0.00 N ATOM 360 C2 DT B 4 8.282 -1.902 16.046 1.00 0.00 C ATOM 361 O2 DT B 4 8.472 -2.117 14.851 1.00 0.00 O ATOM 362 N3 DT B 4 6.997 -1.705 16.533 1.00 0.00 N ATOM 363 C4 DT B 4 6.661 -1.406 17.848 1.00 0.00 C ATOM 364 O4 DT B 4 5.483 -1.275 18.168 1.00 0.00 O ATOM 365 C5 DT B 4 7.800 -1.277 18.741 1.00 0.00 C ATOM 366 C7 DT B 4 7.604 -0.902 20.191 1.00 0.00 C ATOM 367 C6 DT B 4 9.055 -1.499 18.291 1.00 0.00 C ATOM 0 H5' DT B 4 12.914 -4.480 18.970 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.361 -3.601 18.519 1.00 0.00 H new ATOM 0 H4' DT B 4 13.000 -3.780 16.621 1.00 0.00 H new ATOM 0 H3' DT B 4 13.652 -1.096 17.564 1.00 0.00 H new ATOM 0 H2' DT B 4 11.377 -0.421 17.659 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.578 -0.339 15.920 1.00 0.00 H new ATOM 0 H1' DT B 4 10.629 -2.565 15.587 1.00 0.00 H new ATOM 0 H3 DT B 4 6.230 -1.787 15.865 1.00 0.00 H new ATOM 0 H71 DT B 4 8.396 -1.348 20.792 1.00 0.00 H new ATOM 0 H72 DT B 4 7.637 0.183 20.294 1.00 0.00 H new ATOM 0 H73 DT B 4 6.637 -1.270 20.534 1.00 0.00 H new ATOM 0 H6 DT B 4 9.883 -1.405 18.978 1.00 0.00 H new ATOM 380 P DA B 5 14.236 -0.451 14.892 1.00 0.00 P ATOM 381 OP1 DA B 5 15.442 -0.824 14.120 1.00 0.00 O ATOM 382 OP2 DA B 5 14.283 0.695 15.828 1.00 0.00 O ATOM 383 O5' DA B 5 13.025 -0.213 13.859 1.00 0.00 O ATOM 384 C5' DA B 5 12.737 -1.156 12.845 1.00 0.00 C ATOM 385 C4' DA B 5 11.585 -0.656 11.973 1.00 0.00 C ATOM 386 O4' DA B 5 10.383 -0.592 12.723 1.00 0.00 O ATOM 387 C3' DA B 5 11.860 0.740 11.391 1.00 0.00 C ATOM 388 O3' DA B 5 11.784 0.646 9.979 1.00 0.00 O ATOM 389 C2' DA B 5 10.767 1.582 12.056 1.00 0.00 C ATOM 390 C1' DA B 5 9.664 0.549 12.304 1.00 0.00 C ATOM 391 N9 DA B 5 8.727 0.959 13.373 1.00 0.00 N ATOM 392 C8 DA B 5 9.073 1.358 14.630 1.00 0.00 C ATOM 393 N7 DA B 5 8.089 1.415 15.481 1.00 0.00 N ATOM 394 C5 DA B 5 6.987 1.074 14.709 1.00 0.00 C ATOM 395 C6 DA B 5 5.617 0.944 15.012 1.00 0.00 C ATOM 396 N6 DA B 5 5.145 1.056 16.257 1.00 0.00 N ATOM 397 N1 DA B 5 4.760 0.670 14.010 1.00 0.00 N ATOM 398 C2 DA B 5 5.242 0.505 12.780 1.00 0.00 C ATOM 399 N3 DA B 5 6.512 0.544 12.375 1.00 0.00 N ATOM 400 C4 DA B 5 7.354 0.841 13.404 1.00 0.00 C ATOM 0 H5' DA B 5 12.475 -2.114 13.293 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.622 -1.323 12.231 1.00 0.00 H new ATOM 0 H4' DA B 5 11.489 -1.368 11.153 1.00 0.00 H new ATOM 0 H3' DA B 5 12.839 1.180 11.581 1.00 0.00 H new ATOM 0 H2' DA B 5 11.113 2.038 12.984 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.428 2.392 11.410 1.00 0.00 H new ATOM 0 H1' DA B 5 9.048 0.400 11.417 1.00 0.00 H new ATOM 0 H8 DA B 5 10.088 1.608 14.900 1.00 0.00 H new ATOM 0 H61 DA B 5 4.146 0.955 16.435 1.00 0.00 H new ATOM 0 H62 DA B 5 5.784 1.242 17.030 1.00 0.00 H new ATOM 0 H2 DA B 5 4.509 0.315 12.010 1.00 0.00 H new ATOM 412 P DC B 6 11.943 1.920 9.005 1.00 0.00 P ATOM 413 OP1 DC B 6 12.325 1.435 7.661 1.00 0.00 O ATOM 414 OP2 DC B 6 12.765 2.946 9.685 1.00 0.00 O ATOM 415 O5' DC B 6 10.423 2.437 8.945 1.00 0.00 O ATOM 416 C5' DC B 6 9.390 1.596 8.472 1.00 0.00 C ATOM 417 C4' DC B 6 8.036 2.264 8.693 1.00 0.00 C ATOM 418 O4' DC B 6 7.809 2.346 10.082 1.00 0.00 O ATOM 419 C3' DC B 6 7.873 3.677 8.128 1.00 0.00 C ATOM 420 O3' DC B 6 7.181 3.676 6.890 1.00 0.00 O ATOM 421 C2' DC B 6 7.137 4.410 9.247 1.00 0.00 C ATOM 422 C1' DC B 6 6.828 3.332 10.269 1.00 0.00 C ATOM 423 N1 DC B 6 6.849 3.842 11.664 1.00 0.00 N ATOM 424 C2 DC B 6 5.669 3.834 12.401 1.00 0.00 C ATOM 425 O2 DC B 6 4.581 3.620 11.872 1.00 0.00 O ATOM 426 N3 DC B 6 5.739 4.070 13.739 1.00 0.00 N ATOM 427 C4 DC B 6 6.904 4.341 14.341 1.00 0.00 C ATOM 428 N4 DC B 6 6.908 4.500 15.668 1.00 0.00 N ATOM 429 C5 DC B 6 8.128 4.413 13.591 1.00 0.00 C ATOM 430 C6 DC B 6 8.043 4.163 12.264 1.00 0.00 C ATOM 0 H5' DC B 6 9.422 0.638 8.991 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.535 1.389 7.412 1.00 0.00 H new ATOM 0 H4' DC B 6 7.325 1.640 8.152 1.00 0.00 H new ATOM 0 H3' DC B 6 8.816 4.162 7.878 1.00 0.00 H new ATOM 0 H2' DC B 6 7.754 5.199 9.677 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.226 4.882 8.880 1.00 0.00 H new ATOM 0 H1' DC B 6 5.819 2.946 10.123 1.00 0.00 H new ATOM 0 H41 DC B 6 7.780 4.707 16.154 1.00 0.00 H new ATOM 0 H42 DC B 6 6.039 4.414 16.194 1.00 0.00 H new ATOM 0 H5 DC B 6 9.069 4.655 14.063 1.00 0.00 H new ATOM 0 H6 DC B 6 8.937 4.217 11.660 1.00 0.00 H new ATOM 442 P DG B 7 6.834 5.044 6.093 1.00 0.00 P ATOM 443 OP1 DG B 7 6.539 4.694 4.686 1.00 0.00 O ATOM 444 OP2 DG B 7 7.878 6.047 6.399 1.00 0.00 O ATOM 445 O5' DG B 7 5.457 5.519 6.793 1.00 0.00 O ATOM 446 C5' DG B 7 4.292 4.725 6.703 1.00 0.00 C ATOM 447 C4' DG B 7 3.108 5.303 7.480 1.00 0.00 C ATOM 448 O4' DG B 7 3.353 5.257 8.877 1.00 0.00 O ATOM 449 C3' DG B 7 2.826 6.759 7.081 1.00 0.00 C ATOM 450 O3' DG B 7 1.447 6.928 6.800 1.00 0.00 O ATOM 451 C2' DG B 7 3.301 7.492 8.327 1.00 0.00 C ATOM 452 C1' DG B 7 2.959 6.497 9.426 1.00 0.00 C ATOM 453 N9 DG B 7 3.707 6.777 10.671 1.00 0.00 N ATOM 454 C8 DG B 7 5.036 7.085 10.802 1.00 0.00 C ATOM 455 N7 DG B 7 5.457 7.143 12.033 1.00 0.00 N ATOM 456 C5 DG B 7 4.311 6.900 12.783 1.00 0.00 C ATOM 457 C6 DG B 7 4.133 6.874 14.198 1.00 0.00 C ATOM 458 O6 DG B 7 4.994 6.961 15.068 1.00 0.00 O ATOM 459 N1 DG B 7 2.797 6.731 14.564 1.00 0.00 N ATOM 460 C2 DG B 7 1.752 6.600 13.668 1.00 0.00 C ATOM 461 N2 DG B 7 0.519 6.509 14.175 1.00 0.00 N ATOM 462 N3 DG B 7 1.926 6.569 12.337 1.00 0.00 N ATOM 463 C4 DG B 7 3.223 6.728 11.958 1.00 0.00 C ATOM 0 H5' DG B 7 4.511 3.725 7.078 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.013 4.618 5.655 1.00 0.00 H new ATOM 0 H4' DG B 7 2.240 4.691 7.234 1.00 0.00 H new ATOM 0 H3' DG B 7 3.317 7.116 6.176 1.00 0.00 H new ATOM 0 H2' DG B 7 4.368 7.710 8.291 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.786 8.443 8.463 1.00 0.00 H new ATOM 0 H1' DG B 7 1.906 6.533 9.707 1.00 0.00 H new ATOM 0 H8 DG B 7 5.681 7.265 9.954 1.00 0.00 H new ATOM 0 H1 DG B 7 2.574 6.722 15.559 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.283 6.411 13.552 1.00 0.00 H new ATOM 0 H22 DG B 7 0.380 6.537 15.185 1.00 0.00 H new ATOM 475 P DC B 8 0.823 8.359 6.385 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.419 8.119 5.617 1.00 0.00 O ATOM 477 OP2 DC B 8 1.896 9.200 5.810 1.00 0.00 O ATOM 478 O5' DC B 8 0.423 8.960 7.825 1.00 0.00 O ATOM 479 C5' DC B 8 -0.677 8.440 8.542 1.00 0.00 C ATOM 480 C4' DC B 8 -0.756 9.036 9.948 1.00 0.00 C ATOM 481 O4' DC B 8 0.406 8.714 10.675 1.00 0.00 O ATOM 482 C3' DC B 8 -0.837 10.562 9.993 1.00 0.00 C ATOM 483 O3' DC B 8 -2.159 11.035 9.840 1.00 0.00 O ATOM 484 C2' DC B 8 -0.279 10.873 11.380 1.00 0.00 C ATOM 485 C1' DC B 8 0.456 9.588 11.782 1.00 0.00 C ATOM 486 N1 DC B 8 1.866 9.859 12.168 1.00 0.00 N ATOM 487 C2 DC B 8 2.210 9.885 13.521 1.00 0.00 C ATOM 488 O2 DC B 8 1.361 9.766 14.402 1.00 0.00 O ATOM 489 N3 DC B 8 3.520 10.046 13.855 1.00 0.00 N ATOM 490 C4 DC B 8 4.467 10.193 12.915 1.00 0.00 C ATOM 491 N4 DC B 8 5.741 10.292 13.306 1.00 0.00 N ATOM 492 C5 DC B 8 4.131 10.211 11.518 1.00 0.00 C ATOM 493 C6 DC B 8 2.827 10.039 11.201 1.00 0.00 C ATOM 0 H5' DC B 8 -0.590 7.356 8.609 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.599 8.653 8.002 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.671 8.614 10.363 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.292 11.046 9.182 1.00 0.00 H new ATOM 0 H2' DC B 8 0.397 11.728 11.356 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.074 11.115 12.085 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.162 12.014 9.877 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.025 9.144 12.654 1.00 0.00 H new ATOM 0 H41 DC B 8 6.480 10.404 12.612 1.00 0.00 H new ATOM 0 H42 DC B 8 5.974 10.255 14.298 1.00 0.00 H new ATOM 0 H5 DC B 8 4.884 10.355 10.757 1.00 0.00 H new ATOM 0 H6 DC B 8 2.533 10.043 10.162 1.00 0.00 H new TER 506 DC B 8