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= -0.269 (180deg=-0.269) 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= -0.272 (180deg=-0.272) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.258 11.074 24.458 1.00 0.00 O ATOM 2 C5' DG A 1 5.073 11.785 24.749 1.00 0.00 C ATOM 3 C4' DG A 1 3.887 11.261 23.929 1.00 0.00 C ATOM 4 O4' DG A 1 4.137 11.434 22.541 1.00 0.00 O ATOM 5 C3' DG A 1 3.560 9.783 24.189 1.00 0.00 C ATOM 6 O3' DG A 1 2.157 9.608 24.294 1.00 0.00 O ATOM 7 C2' DG A 1 4.130 9.167 22.921 1.00 0.00 C ATOM 8 C1' DG A 1 3.788 10.232 21.889 1.00 0.00 C ATOM 9 N9 DG A 1 4.548 10.046 20.626 1.00 0.00 N ATOM 10 C8 DG A 1 5.911 10.018 20.426 1.00 0.00 C ATOM 11 N7 DG A 1 6.264 9.863 19.181 1.00 0.00 N ATOM 12 C5 DG A 1 5.058 9.790 18.496 1.00 0.00 C ATOM 13 C6 DG A 1 4.808 9.654 17.097 1.00 0.00 C ATOM 14 O6 DG A 1 5.632 9.568 16.189 1.00 0.00 O ATOM 15 N1 DG A 1 3.447 9.626 16.800 1.00 0.00 N ATOM 16 C2 DG A 1 2.441 9.732 17.744 1.00 0.00 C ATOM 17 N2 DG A 1 1.179 9.677 17.304 1.00 0.00 N ATOM 18 N3 DG A 1 2.676 9.879 19.057 1.00 0.00 N ATOM 19 C4 DG A 1 4.001 9.901 19.370 1.00 0.00 C ATOM 0 H5' DG A 1 5.222 12.844 24.539 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.848 11.699 25.812 1.00 0.00 H new ATOM 0 H4' DG A 1 3.024 11.846 24.249 1.00 0.00 H new ATOM 0 H3' DG A 1 3.958 9.354 25.109 1.00 0.00 H new ATOM 0 H2' DG A 1 5.204 8.996 22.994 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.670 8.207 22.688 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.995 11.433 24.995 1.00 0.00 H new ATOM 0 H1' DG A 1 2.743 10.204 21.581 1.00 0.00 H new ATOM 0 H8 DG A 1 6.625 10.116 21.231 1.00 0.00 H new ATOM 0 H1 DG A 1 3.174 9.520 15.823 1.00 0.00 H new ATOM 0 H21 DG A 1 0.405 9.751 17.964 1.00 0.00 H new ATOM 0 H22 DG A 1 0.991 9.561 16.308 1.00 0.00 H new ATOM 32 P DC A 2 1.475 8.161 24.534 1.00 0.00 P ATOM 33 OP1 DC A 2 0.429 8.314 25.570 1.00 0.00 O ATOM 34 OP2 DC A 2 2.541 7.151 24.715 1.00 0.00 O ATOM 35 O5' DC A 2 0.751 7.879 23.116 1.00 0.00 O ATOM 36 C5' DC A 2 -0.374 8.638 22.717 1.00 0.00 C ATOM 37 C4' DC A 2 -1.127 8.087 21.508 1.00 0.00 C ATOM 38 O4' DC A 2 -0.362 8.194 20.320 1.00 0.00 O ATOM 39 C3' DC A 2 -1.481 6.619 21.748 1.00 0.00 C ATOM 40 O3' DC A 2 -2.793 6.371 21.270 1.00 0.00 O ATOM 41 C2' DC A 2 -0.376 5.949 20.967 1.00 0.00 C ATOM 42 C1' DC A 2 -0.180 6.898 19.788 1.00 0.00 C ATOM 43 N1 DC A 2 1.191 6.774 19.246 1.00 0.00 N ATOM 44 C2 DC A 2 1.408 6.544 17.886 1.00 0.00 C ATOM 45 O2 DC A 2 0.479 6.507 17.083 1.00 0.00 O ATOM 46 N3 DC A 2 2.693 6.359 17.462 1.00 0.00 N ATOM 47 C4 DC A 2 3.721 6.373 18.326 1.00 0.00 C ATOM 48 N4 DC A 2 4.964 6.227 17.858 1.00 0.00 N ATOM 49 C5 DC A 2 3.505 6.634 19.720 1.00 0.00 C ATOM 50 C6 DC A 2 2.243 6.855 20.114 1.00 0.00 C ATOM 0 H5' DC A 2 -0.047 9.653 22.491 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.065 8.705 23.557 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.033 8.679 21.383 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.520 6.270 22.780 1.00 0.00 H new ATOM 0 H2' DC A 2 0.533 5.845 21.559 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.660 4.949 20.640 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.874 6.679 18.977 1.00 0.00 H new ATOM 0 H41 DC A 2 5.755 6.235 18.501 1.00 0.00 H new ATOM 0 H42 DC A 2 5.121 6.107 16.857 1.00 0.00 H new ATOM 0 H5 DC A 2 4.325 6.652 20.423 1.00 0.00 H new ATOM 0 H6 DC A 2 2.052 7.104 21.147 1.00 0.00 H new ATOM 62 P DG A 3 -3.409 4.887 21.104 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.873 4.970 21.302 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.611 3.936 21.909 1.00 0.00 O ATOM 65 O5' DG A 3 -3.123 4.609 19.538 1.00 0.00 O ATOM 66 C5' DG A 3 -3.777 5.387 18.552 1.00 0.00 C ATOM 67 C4' DG A 3 -3.565 4.878 17.137 1.00 0.00 C ATOM 68 O4' DG A 3 -2.200 4.918 16.762 1.00 0.00 O ATOM 69 C3' DG A 3 -4.099 3.449 17.057 1.00 0.00 C ATOM 70 O3' DG A 3 -5.116 3.351 16.074 1.00 0.00 O ATOM 71 C2' DG A 3 -2.823 2.685 16.757 1.00 0.00 C ATOM 72 C1' DG A 3 -1.861 3.694 16.146 1.00 0.00 C ATOM 73 N9 DG A 3 -0.445 3.396 16.456 1.00 0.00 N ATOM 74 C8 DG A 3 0.141 3.265 17.688 1.00 0.00 C ATOM 75 N7 DG A 3 1.443 3.291 17.673 1.00 0.00 N ATOM 76 C5 DG A 3 1.748 3.419 16.324 1.00 0.00 C ATOM 77 C6 DG A 3 3.012 3.556 15.681 1.00 0.00 C ATOM 78 O6 DG A 3 4.110 3.711 16.207 1.00 0.00 O ATOM 79 N1 DG A 3 2.905 3.501 14.294 1.00 0.00 N ATOM 80 C2 DG A 3 1.709 3.425 13.602 1.00 0.00 C ATOM 81 N2 DG A 3 1.766 3.392 12.267 1.00 0.00 N ATOM 82 N3 DG A 3 0.512 3.415 14.209 1.00 0.00 N ATOM 83 C4 DG A 3 0.601 3.403 15.566 1.00 0.00 C ATOM 0 H5' DG A 3 -3.420 6.415 18.617 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.846 5.406 18.766 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.101 5.524 16.442 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.600 3.065 17.945 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.406 2.250 17.665 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.014 1.862 16.068 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.949 3.691 15.060 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.430 3.150 18.597 1.00 0.00 H new ATOM 0 H1 DG A 3 3.768 3.518 13.750 1.00 0.00 H new ATOM 0 H21 DG A 3 0.906 3.336 11.721 1.00 0.00 H new ATOM 0 H22 DG A 3 2.669 3.423 11.794 1.00 0.00 H new ATOM 95 P DT A 4 -5.846 1.951 15.717 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.085 2.250 14.965 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.904 1.112 16.935 1.00 0.00 O ATOM 98 O5' DT A 4 -4.777 1.306 14.700 1.00 0.00 O ATOM 99 C5' DT A 4 -4.402 2.015 13.540 1.00 0.00 C ATOM 100 C4' DT A 4 -3.203 1.422 12.809 1.00 0.00 C ATOM 101 O4' DT A 4 -2.040 1.571 13.594 1.00 0.00 O ATOM 102 C3' DT A 4 -3.358 -0.063 12.453 1.00 0.00 C ATOM 103 O3' DT A 4 -3.396 -0.200 11.044 1.00 0.00 O ATOM 104 C2' DT A 4 -2.125 -0.673 13.118 1.00 0.00 C ATOM 105 C1' DT A 4 -1.180 0.516 13.246 1.00 0.00 C ATOM 106 N1 DT A 4 -0.176 0.275 14.304 1.00 0.00 N ATOM 107 C2 DT A 4 1.181 0.224 13.986 1.00 0.00 C ATOM 108 O2 DT A 4 1.610 0.237 12.834 1.00 0.00 O ATOM 109 N3 DT A 4 2.054 0.156 15.063 1.00 0.00 N ATOM 110 C4 DT A 4 1.691 0.085 16.403 1.00 0.00 C ATOM 111 O4 DT A 4 2.555 0.051 17.274 1.00 0.00 O ATOM 112 C5 DT A 4 0.256 0.059 16.632 1.00 0.00 C ATOM 113 C7 DT A 4 -0.299 -0.070 18.031 1.00 0.00 C ATOM 114 C6 DT A 4 -0.607 0.157 15.597 1.00 0.00 C ATOM 0 H5' DT A 4 -4.174 3.045 13.814 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.251 2.048 12.857 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.129 1.973 11.872 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.271 -0.552 12.793 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.363 -1.106 14.090 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.692 -1.469 12.512 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.609 0.714 12.339 1.00 0.00 H new ATOM 0 H3 DT A 4 3.052 0.158 14.852 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.262 0.437 18.089 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.429 -1.124 18.275 1.00 0.00 H new ATOM 0 H73 DT A 4 0.393 0.384 18.740 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.668 0.142 15.796 1.00 0.00 H new ATOM 127 P DA A 5 -3.505 -1.635 10.316 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.162 -1.442 9.004 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.052 -2.619 11.278 1.00 0.00 O ATOM 130 O5' DA A 5 -1.954 -1.982 10.062 1.00 0.00 O ATOM 131 C5' DA A 5 -1.167 -1.199 9.186 1.00 0.00 C ATOM 132 C4' DA A 5 0.241 -1.783 9.080 1.00 0.00 C ATOM 133 O4' DA A 5 0.921 -1.679 10.319 1.00 0.00 O ATOM 134 C3' DA A 5 0.226 -3.264 8.667 1.00 0.00 C ATOM 135 O3' DA A 5 0.983 -3.392 7.477 1.00 0.00 O ATOM 136 C2' DA A 5 0.819 -3.945 9.904 1.00 0.00 C ATOM 137 C1' DA A 5 1.705 -2.841 10.490 1.00 0.00 C ATOM 138 N9 DA A 5 1.986 -3.037 11.929 1.00 0.00 N ATOM 139 C8 DA A 5 1.056 -3.243 12.905 1.00 0.00 C ATOM 140 N7 DA A 5 1.498 -3.125 14.124 1.00 0.00 N ATOM 141 C5 DA A 5 2.851 -2.867 13.942 1.00 0.00 C ATOM 142 C6 DA A 5 3.905 -2.637 14.848 1.00 0.00 C ATOM 143 N6 DA A 5 3.707 -2.530 16.165 1.00 0.00 N ATOM 144 N1 DA A 5 5.152 -2.493 14.360 1.00 0.00 N ATOM 145 C2 DA A 5 5.336 -2.546 13.043 1.00 0.00 C ATOM 146 N3 DA A 5 4.422 -2.699 12.084 1.00 0.00 N ATOM 147 C4 DA A 5 3.174 -2.861 12.606 1.00 0.00 C ATOM 0 H5' DA A 5 -1.117 -0.173 9.549 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.630 -1.166 8.200 1.00 0.00 H new ATOM 0 H4' DA A 5 0.755 -1.205 8.312 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.739 -3.708 8.422 1.00 0.00 H new ATOM 0 H2' DA A 5 0.046 -4.261 10.604 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.395 -4.833 9.643 1.00 0.00 H new ATOM 0 H1' DA A 5 2.681 -2.810 10.005 1.00 0.00 H new ATOM 0 H8 DA A 5 0.027 -3.486 12.683 1.00 0.00 H new ATOM 0 H61 DA A 5 4.497 -2.363 16.788 1.00 0.00 H new ATOM 0 H62 DA A 5 2.765 -2.615 16.548 1.00 0.00 H new ATOM 0 H2 DA A 5 6.358 -2.453 12.707 1.00 0.00 H new ATOM 159 P DC A 6 1.262 -4.809 6.762 1.00 0.00 P ATOM 160 OP1 DC A 6 1.607 -4.557 5.346 1.00 0.00 O ATOM 161 OP2 DC A 6 0.166 -5.744 7.104 1.00 0.00 O ATOM 162 O5' DC A 6 2.591 -5.273 7.534 1.00 0.00 O ATOM 163 C5' DC A 6 3.763 -4.482 7.500 1.00 0.00 C ATOM 164 C4' DC A 6 4.802 -5.055 8.459 1.00 0.00 C ATOM 165 O4' DC A 6 4.320 -4.900 9.775 1.00 0.00 O ATOM 166 C3' DC A 6 5.151 -6.534 8.280 1.00 0.00 C ATOM 167 O3' DC A 6 6.354 -6.710 7.548 1.00 0.00 O ATOM 168 C2' DC A 6 5.220 -7.045 9.717 1.00 0.00 C ATOM 169 C1' DC A 6 5.041 -5.802 10.571 1.00 0.00 C ATOM 170 N1 DC A 6 4.323 -6.080 11.841 1.00 0.00 N ATOM 171 C2 DC A 6 4.998 -5.908 13.047 1.00 0.00 C ATOM 172 O2 DC A 6 6.214 -5.739 13.085 1.00 0.00 O ATOM 173 N3 DC A 6 4.278 -5.928 14.201 1.00 0.00 N ATOM 174 C4 DC A 6 2.956 -6.144 14.197 1.00 0.00 C ATOM 175 N4 DC A 6 2.303 -6.088 15.362 1.00 0.00 N ATOM 176 C5 DC A 6 2.247 -6.382 12.970 1.00 0.00 C ATOM 177 C6 DC A 6 2.976 -6.345 11.830 1.00 0.00 C ATOM 0 H5' DC A 6 3.527 -3.454 7.777 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.165 -4.455 6.487 1.00 0.00 H new ATOM 0 H4' DC A 6 5.716 -4.502 8.243 1.00 0.00 H new ATOM 0 H3' DC A 6 4.424 -7.089 7.687 1.00 0.00 H new ATOM 0 H2' DC A 6 4.439 -7.779 9.915 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.174 -7.532 9.920 1.00 0.00 H new ATOM 0 H1' DC A 6 6.009 -5.403 10.873 1.00 0.00 H new ATOM 0 H41 DC A 6 1.296 -6.248 15.390 1.00 0.00 H new ATOM 0 H42 DC A 6 2.812 -5.885 16.222 1.00 0.00 H new ATOM 0 H5 DC A 6 1.185 -6.580 12.958 1.00 0.00 H new ATOM 0 H6 DC A 6 2.485 -6.529 10.886 1.00 0.00 H new ATOM 189 P DG A 7 6.978 -8.176 7.254 1.00 0.00 P ATOM 190 OP1 DG A 7 7.932 -8.052 6.130 1.00 0.00 O ATOM 191 OP2 DG A 7 5.871 -9.154 7.176 1.00 0.00 O ATOM 192 O5' DG A 7 7.822 -8.475 8.599 1.00 0.00 O ATOM 193 C5' DG A 7 8.919 -7.659 8.958 1.00 0.00 C ATOM 194 C4' DG A 7 9.553 -8.055 10.292 1.00 0.00 C ATOM 195 O4' DG A 7 8.667 -7.792 11.368 1.00 0.00 O ATOM 196 C3' DG A 7 9.928 -9.544 10.320 1.00 0.00 C ATOM 197 O3' DG A 7 11.262 -9.702 10.772 1.00 0.00 O ATOM 198 C2' DG A 7 8.878 -10.083 11.280 1.00 0.00 C ATOM 199 C1' DG A 7 8.691 -8.910 12.231 1.00 0.00 C ATOM 200 N9 DG A 7 7.424 -9.012 12.987 1.00 0.00 N ATOM 201 C8 DG A 7 6.185 -9.345 12.508 1.00 0.00 C ATOM 202 N7 DG A 7 5.220 -9.217 13.374 1.00 0.00 N ATOM 203 C5 DG A 7 5.873 -8.812 14.534 1.00 0.00 C ATOM 204 C6 DG A 7 5.349 -8.550 15.835 1.00 0.00 C ATOM 205 O6 DG A 7 4.172 -8.525 16.183 1.00 0.00 O ATOM 206 N1 DG A 7 6.349 -8.301 16.771 1.00 0.00 N ATOM 207 C2 DG A 7 7.701 -8.279 16.482 1.00 0.00 C ATOM 208 N2 DG A 7 8.541 -8.062 17.499 1.00 0.00 N ATOM 209 N3 DG A 7 8.191 -8.469 15.247 1.00 0.00 N ATOM 210 C4 DG A 7 7.230 -8.737 14.321 1.00 0.00 C ATOM 0 H5' DG A 7 8.589 -6.622 9.014 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.675 -7.712 8.174 1.00 0.00 H new ATOM 0 H4' DG A 7 10.458 -7.457 10.401 1.00 0.00 H new ATOM 0 H3' DG A 7 9.921 -10.062 9.361 1.00 0.00 H new ATOM 0 H2' DG A 7 7.952 -10.345 10.768 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.220 -10.979 11.798 1.00 0.00 H new ATOM 0 H1' DG A 7 9.474 -8.860 12.987 1.00 0.00 H new ATOM 0 H8 DG A 7 6.021 -9.686 11.496 1.00 0.00 H new ATOM 0 H1 DG A 7 6.065 -8.123 17.734 1.00 0.00 H new ATOM 0 H21 DG A 7 9.547 -8.037 17.333 1.00 0.00 H new ATOM 0 H22 DG A 7 8.176 -7.921 18.441 1.00 0.00 H new ATOM 222 P DC A 8 11.945 -11.155 10.946 1.00 0.00 P ATOM 223 OP1 DC A 8 13.412 -10.995 10.847 1.00 0.00 O ATOM 224 OP2 DC A 8 11.247 -12.120 10.067 1.00 0.00 O ATOM 225 O5' DC A 8 11.572 -11.500 12.474 1.00 0.00 O ATOM 226 C5' DC A 8 12.211 -10.830 13.541 1.00 0.00 C ATOM 227 C4' DC A 8 11.575 -11.186 14.885 1.00 0.00 C ATOM 228 O4' DC A 8 10.223 -10.795 14.898 1.00 0.00 O ATOM 229 C3' DC A 8 11.555 -12.681 15.206 1.00 0.00 C ATOM 230 O3' DC A 8 12.763 -13.123 15.787 1.00 0.00 O ATOM 231 C2' DC A 8 10.383 -12.785 16.180 1.00 0.00 C ATOM 232 C1' DC A 8 9.605 -11.480 15.967 1.00 0.00 C ATOM 233 N1 DC A 8 8.173 -11.738 15.661 1.00 0.00 N ATOM 234 C2 DC A 8 7.219 -11.557 16.664 1.00 0.00 C ATOM 235 O2 DC A 8 7.542 -11.265 17.814 1.00 0.00 O ATOM 236 N3 DC A 8 5.904 -11.711 16.345 1.00 0.00 N ATOM 237 C4 DC A 8 5.522 -12.044 15.102 1.00 0.00 C ATOM 238 N4 DC A 8 4.215 -12.127 14.840 1.00 0.00 N ATOM 239 C5 DC A 8 6.489 -12.275 14.064 1.00 0.00 C ATOM 240 C6 DC A 8 7.791 -12.108 14.394 1.00 0.00 C ATOM 0 H5' DC A 8 12.153 -9.753 13.383 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.269 -11.093 13.556 1.00 0.00 H new ATOM 0 H4' DC A 8 12.194 -10.668 15.617 1.00 0.00 H new ATOM 0 H3' DC A 8 11.448 -13.309 14.322 1.00 0.00 H new ATOM 0 H2' DC A 8 9.765 -13.657 15.968 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.727 -12.881 17.210 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.703 -14.083 15.976 1.00 0.00 H new ATOM 0 H1' DC A 8 9.625 -10.883 16.879 1.00 0.00 H new ATOM 0 H41 DC A 8 3.897 -12.378 13.904 1.00 0.00 H new ATOM 0 H42 DC A 8 3.534 -11.939 15.576 1.00 0.00 H new ATOM 0 H5 DC A 8 6.191 -12.568 13.068 1.00 0.00 H new ATOM 0 H6 DC A 8 8.549 -12.270 13.642 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.122 -12.988 24.817 1.00 0.00 O ATOM 255 C5' DG B 1 -0.943 -11.592 24.916 1.00 0.00 C ATOM 256 C4' DG B 1 0.554 -11.260 24.954 1.00 0.00 C ATOM 257 O4' DG B 1 1.159 -11.668 23.732 1.00 0.00 O ATOM 258 C3' DG B 1 0.802 -9.757 25.128 1.00 0.00 C ATOM 259 O3' DG B 1 1.993 -9.540 25.866 1.00 0.00 O ATOM 260 C2' DG B 1 0.937 -9.364 23.666 1.00 0.00 C ATOM 261 C1' DG B 1 1.748 -10.535 23.128 1.00 0.00 C ATOM 262 N9 DG B 1 1.707 -10.613 21.645 1.00 0.00 N ATOM 263 C8 DG B 1 0.617 -10.686 20.805 1.00 0.00 C ATOM 264 N7 DG B 1 0.922 -10.769 19.541 1.00 0.00 N ATOM 265 C5 DG B 1 2.311 -10.764 19.528 1.00 0.00 C ATOM 266 C6 DG B 1 3.216 -10.865 18.429 1.00 0.00 C ATOM 267 O6 DG B 1 2.942 -10.974 17.236 1.00 0.00 O ATOM 268 N1 DG B 1 4.548 -10.833 18.833 1.00 0.00 N ATOM 269 C2 DG B 1 4.962 -10.729 20.149 1.00 0.00 C ATOM 270 N2 DG B 1 6.279 -10.700 20.378 1.00 0.00 N ATOM 271 N3 DG B 1 4.111 -10.652 21.184 1.00 0.00 N ATOM 272 C4 DG B 1 2.802 -10.674 20.810 1.00 0.00 C ATOM 0 H5' DG B 1 -1.431 -11.217 25.816 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.413 -11.095 24.068 1.00 0.00 H new ATOM 0 H4' DG B 1 0.984 -11.788 25.805 1.00 0.00 H new ATOM 0 H3' DG B 1 0.045 -9.196 25.676 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.030 -9.270 23.173 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.453 -8.412 23.540 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.080 -13.194 24.795 1.00 0.00 H new ATOM 0 H1' DG B 1 2.808 -10.442 23.364 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.402 -10.675 21.163 1.00 0.00 H new ATOM 0 H1 DG B 1 5.266 -10.890 18.111 1.00 0.00 H new ATOM 0 H21 DG B 1 6.629 -10.624 21.333 1.00 0.00 H new ATOM 0 H22 DG B 1 6.934 -10.754 19.598 1.00 0.00 H new ATOM 285 P DC B 2 2.553 -8.059 26.194 1.00 0.00 P ATOM 286 OP1 DC B 2 2.953 -8.026 27.619 1.00 0.00 O ATOM 287 OP2 DC B 2 1.589 -7.058 25.683 1.00 0.00 O ATOM 288 O5' DC B 2 3.888 -7.980 25.286 1.00 0.00 O ATOM 289 C5' DC B 2 5.026 -8.754 25.610 1.00 0.00 C ATOM 290 C4' DC B 2 6.298 -8.375 24.855 1.00 0.00 C ATOM 291 O4' DC B 2 6.205 -8.695 23.477 1.00 0.00 O ATOM 292 C3' DC B 2 6.560 -6.875 25.007 1.00 0.00 C ATOM 293 O3' DC B 2 7.948 -6.660 25.197 1.00 0.00 O ATOM 294 C2' DC B 2 6.007 -6.376 23.693 1.00 0.00 C ATOM 295 C1' DC B 2 6.366 -7.505 22.732 1.00 0.00 C ATOM 296 N1 DC B 2 5.440 -7.518 21.578 1.00 0.00 N ATOM 297 C2 DC B 2 5.925 -7.526 20.268 1.00 0.00 C ATOM 298 O2 DC B 2 7.128 -7.588 20.028 1.00 0.00 O ATOM 299 N3 DC B 2 5.020 -7.466 19.246 1.00 0.00 N ATOM 300 C4 DC B 2 3.702 -7.374 19.487 1.00 0.00 C ATOM 301 N4 DC B 2 2.854 -7.360 18.455 1.00 0.00 N ATOM 302 C5 DC B 2 3.199 -7.388 20.831 1.00 0.00 C ATOM 303 C6 DC B 2 4.096 -7.491 21.821 1.00 0.00 C ATOM 0 H5' DC B 2 4.802 -9.802 25.412 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.216 -8.665 26.680 1.00 0.00 H new ATOM 0 H4' DC B 2 7.121 -8.948 25.283 1.00 0.00 H new ATOM 0 H3' DC B 2 6.109 -6.367 25.859 1.00 0.00 H new ATOM 0 H2' DC B 2 4.931 -6.212 23.742 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.460 -5.430 23.395 1.00 0.00 H new ATOM 0 H1' DC B 2 7.377 -7.390 22.341 1.00 0.00 H new ATOM 0 H41 DC B 2 1.850 -7.291 18.621 1.00 0.00 H new ATOM 0 H42 DC B 2 3.211 -7.419 17.501 1.00 0.00 H new ATOM 0 H5 DC B 2 2.141 -7.318 21.036 1.00 0.00 H new ATOM 0 H6 DC B 2 3.746 -7.555 22.841 1.00 0.00 H new ATOM 315 P DG B 3 8.636 -5.200 25.125 1.00 0.00 P ATOM 316 OP1 DG B 3 9.813 -5.200 26.022 1.00 0.00 O ATOM 317 OP2 DG B 3 7.592 -4.163 25.284 1.00 0.00 O ATOM 318 O5' DG B 3 9.160 -5.180 23.597 1.00 0.00 O ATOM 319 C5' DG B 3 10.178 -6.075 23.188 1.00 0.00 C ATOM 320 C4' DG B 3 10.701 -5.804 21.788 1.00 0.00 C ATOM 321 O4' DG B 3 9.690 -5.958 20.809 1.00 0.00 O ATOM 322 C3' DG B 3 11.265 -4.385 21.755 1.00 0.00 C ATOM 323 O3' DG B 3 12.636 -4.402 21.393 1.00 0.00 O ATOM 324 C2' DG B 3 10.331 -3.732 20.753 1.00 0.00 C ATOM 325 C1' DG B 3 9.747 -4.864 19.920 1.00 0.00 C ATOM 326 N9 DG B 3 8.375 -4.578 19.447 1.00 0.00 N ATOM 327 C8 DG B 3 7.268 -4.278 20.197 1.00 0.00 C ATOM 328 N7 DG B 3 6.140 -4.359 19.552 1.00 0.00 N ATOM 329 C5 DG B 3 6.527 -4.712 18.266 1.00 0.00 C ATOM 330 C6 DG B 3 5.734 -5.001 17.119 1.00 0.00 C ATOM 331 O6 DG B 3 4.512 -5.114 17.058 1.00 0.00 O ATOM 332 N1 DG B 3 6.507 -5.164 15.972 1.00 0.00 N ATOM 333 C2 DG B 3 7.890 -5.151 15.951 1.00 0.00 C ATOM 334 N2 DG B 3 8.493 -5.334 14.772 1.00 0.00 N ATOM 335 N3 DG B 3 8.637 -4.995 17.054 1.00 0.00 N ATOM 336 C4 DG B 3 7.898 -4.770 18.173 1.00 0.00 C ATOM 0 H5' DG B 3 9.793 -7.094 23.232 1.00 0.00 H new ATOM 0 H5'' DG B 3 11.007 -6.016 23.894 1.00 0.00 H new ATOM 0 H4' DG B 3 11.480 -6.529 21.552 1.00 0.00 H new ATOM 0 H3' DG B 3 11.284 -3.844 22.701 1.00 0.00 H new ATOM 0 H2' DG B 3 9.543 -3.175 21.260 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.869 -3.023 20.124 1.00 0.00 H new ATOM 0 H1' DG B 3 10.353 -5.032 19.030 1.00 0.00 H new ATOM 0 H8 DG B 3 7.327 -3.997 21.238 1.00 0.00 H new ATOM 0 H1 DG B 3 6.020 -5.302 15.087 1.00 0.00 H new ATOM 0 H21 DG B 3 9.511 -5.331 14.714 1.00 0.00 H new ATOM 0 H22 DG B 3 7.935 -5.476 13.930 1.00 0.00 H new ATOM 348 P DT B 4 13.505 -3.047 21.220 1.00 0.00 P ATOM 349 OP1 DT B 4 14.940 -3.411 21.227 1.00 0.00 O ATOM 350 OP2 DT B 4 12.996 -2.023 22.160 1.00 0.00 O ATOM 351 O5' DT B 4 13.097 -2.617 19.723 1.00 0.00 O ATOM 352 C5' DT B 4 13.307 -3.516 18.657 1.00 0.00 C ATOM 353 C4' DT B 4 12.643 -3.098 17.350 1.00 0.00 C ATOM 354 O4' DT B 4 11.239 -3.167 17.481 1.00 0.00 O ATOM 355 C3' DT B 4 13.014 -1.682 16.884 1.00 0.00 C ATOM 356 O3' DT B 4 13.740 -1.769 15.672 1.00 0.00 O ATOM 357 C2' DT B 4 11.640 -1.025 16.757 1.00 0.00 C ATOM 358 C1' DT B 4 10.704 -2.218 16.595 1.00 0.00 C ATOM 359 N1 DT B 4 9.322 -1.852 16.976 1.00 0.00 N ATOM 360 C2 DT B 4 8.295 -1.909 16.033 1.00 0.00 C ATOM 361 O2 DT B 4 8.483 -2.123 14.837 1.00 0.00 O ATOM 362 N3 DT B 4 7.012 -1.707 16.522 1.00 0.00 N ATOM 363 C4 DT B 4 6.679 -1.408 17.837 1.00 0.00 C ATOM 364 O4 DT B 4 5.501 -1.272 18.159 1.00 0.00 O ATOM 365 C5 DT B 4 7.819 -1.287 18.729 1.00 0.00 C ATOM 366 C7 DT B 4 7.627 -0.916 20.181 1.00 0.00 C ATOM 367 C6 DT B 4 9.073 -1.513 18.277 1.00 0.00 C ATOM 0 H5' DT B 4 12.932 -4.498 18.945 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.379 -3.621 18.490 1.00 0.00 H new ATOM 0 H4' DT B 4 13.012 -3.795 16.597 1.00 0.00 H new ATOM 0 H3' DT B 4 13.665 -1.108 17.544 1.00 0.00 H new ATOM 0 H2' DT B 4 11.392 -0.434 17.639 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.591 -0.354 15.899 1.00 0.00 H new ATOM 0 H1' DT B 4 10.641 -2.583 15.570 1.00 0.00 H new ATOM 0 H3 DT B 4 6.244 -1.785 15.855 1.00 0.00 H new ATOM 0 H71 DT B 4 8.418 -1.368 20.780 1.00 0.00 H new ATOM 0 H72 DT B 4 7.665 0.168 20.288 1.00 0.00 H new ATOM 0 H73 DT B 4 6.659 -1.280 20.525 1.00 0.00 H new ATOM 0 H6 DT B 4 9.902 -1.423 18.963 1.00 0.00 H new ATOM 380 P DA B 5 14.250 -0.464 14.873 1.00 0.00 P ATOM 381 OP1 DA B 5 15.453 -0.837 14.096 1.00 0.00 O ATOM 382 OP2 DA B 5 14.301 0.680 15.810 1.00 0.00 O ATOM 383 O5' DA B 5 13.036 -0.225 13.845 1.00 0.00 O ATOM 384 C5' DA B 5 12.742 -1.168 12.832 1.00 0.00 C ATOM 385 C4' DA B 5 11.590 -0.664 11.963 1.00 0.00 C ATOM 386 O4' DA B 5 10.389 -0.600 12.713 1.00 0.00 O ATOM 387 C3' DA B 5 11.867 0.732 11.383 1.00 0.00 C ATOM 388 O3' DA B 5 11.791 0.640 9.972 1.00 0.00 O ATOM 389 C2' DA B 5 10.774 1.575 12.049 1.00 0.00 C ATOM 390 C1' DA B 5 9.670 0.541 12.294 1.00 0.00 C ATOM 391 N9 DA B 5 8.732 0.950 13.363 1.00 0.00 N ATOM 392 C8 DA B 5 9.075 1.347 14.621 1.00 0.00 C ATOM 393 N7 DA B 5 8.091 1.405 15.470 1.00 0.00 N ATOM 394 C5 DA B 5 6.989 1.067 14.695 1.00 0.00 C ATOM 395 C6 DA B 5 5.618 0.940 14.995 1.00 0.00 C ATOM 396 N6 DA B 5 5.143 1.053 16.240 1.00 0.00 N ATOM 397 N1 DA B 5 4.762 0.669 13.992 1.00 0.00 N ATOM 398 C2 DA B 5 5.247 0.504 12.763 1.00 0.00 C ATOM 399 N3 DA B 5 6.517 0.540 12.361 1.00 0.00 N ATOM 400 C4 DA B 5 7.358 0.835 13.391 1.00 0.00 C ATOM 0 H5' DA B 5 12.477 -2.125 13.281 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.625 -1.339 12.216 1.00 0.00 H new ATOM 0 H4' DA B 5 11.491 -1.375 11.142 1.00 0.00 H new ATOM 0 H3' DA B 5 12.847 1.170 11.574 1.00 0.00 H new ATOM 0 H2' DA B 5 11.120 2.029 12.978 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.436 2.386 11.404 1.00 0.00 H new ATOM 0 H1' DA B 5 9.055 0.393 11.407 1.00 0.00 H new ATOM 0 H8 DA B 5 10.090 1.595 14.893 1.00 0.00 H new ATOM 0 H61 DA B 5 4.143 0.954 16.415 1.00 0.00 H new ATOM 0 H62 DA B 5 5.781 1.238 17.014 1.00 0.00 H new ATOM 0 H2 DA B 5 4.515 0.316 11.991 1.00 0.00 H new ATOM 412 P DC B 6 11.956 1.914 8.999 1.00 0.00 P ATOM 413 OP1 DC B 6 12.335 1.429 7.654 1.00 0.00 O ATOM 414 OP2 DC B 6 12.782 2.936 9.679 1.00 0.00 O ATOM 415 O5' DC B 6 10.438 2.438 8.940 1.00 0.00 O ATOM 416 C5' DC B 6 9.401 1.602 8.464 1.00 0.00 C ATOM 417 C4' DC B 6 8.050 2.276 8.690 1.00 0.00 C ATOM 418 O4' DC B 6 7.822 2.351 10.078 1.00 0.00 O ATOM 419 C3' DC B 6 7.894 3.692 8.131 1.00 0.00 C ATOM 420 O3' DC B 6 7.211 3.700 6.889 1.00 0.00 O ATOM 421 C2' DC B 6 7.154 4.420 9.251 1.00 0.00 C ATOM 422 C1' DC B 6 6.842 3.337 10.268 1.00 0.00 C ATOM 423 N1 DC B 6 6.860 3.841 11.665 1.00 0.00 N ATOM 424 C2 DC B 6 5.677 3.834 12.398 1.00 0.00 C ATOM 425 O2 DC B 6 4.591 3.622 11.865 1.00 0.00 O ATOM 426 N3 DC B 6 5.742 4.067 13.737 1.00 0.00 N ATOM 427 C4 DC B 6 6.907 4.334 14.344 1.00 0.00 C ATOM 428 N4 DC B 6 6.905 4.492 15.671 1.00 0.00 N ATOM 429 C5 DC B 6 8.134 4.404 13.598 1.00 0.00 C ATOM 430 C6 DC B 6 8.052 4.157 12.270 1.00 0.00 C ATOM 0 H5' DC B 6 9.430 0.642 8.979 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.543 1.399 7.403 1.00 0.00 H new ATOM 0 H4' DC B 6 7.335 1.658 8.147 1.00 0.00 H new ATOM 0 H3' DC B 6 8.840 4.176 7.888 1.00 0.00 H new ATOM 0 H2' DC B 6 7.769 5.208 9.686 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.244 4.893 8.883 1.00 0.00 H new ATOM 0 H1' DC B 6 5.833 2.952 10.119 1.00 0.00 H new ATOM 0 H41 DC B 6 7.776 4.696 16.162 1.00 0.00 H new ATOM 0 H42 DC B 6 6.033 4.409 16.193 1.00 0.00 H new ATOM 0 H5 DC B 6 9.074 4.642 14.074 1.00 0.00 H new ATOM 0 H6 DC B 6 8.948 4.210 11.670 1.00 0.00 H new ATOM 442 P DG B 7 6.870 5.073 6.100 1.00 0.00 P ATOM 443 OP1 DG B 7 6.583 4.733 4.689 1.00 0.00 O ATOM 444 OP2 DG B 7 7.913 6.073 6.419 1.00 0.00 O ATOM 445 O5' DG B 7 5.490 5.545 6.795 1.00 0.00 O ATOM 446 C5' DG B 7 4.325 4.749 6.697 1.00 0.00 C ATOM 447 C4' DG B 7 3.137 5.324 7.468 1.00 0.00 C ATOM 448 O4' DG B 7 3.373 5.273 8.867 1.00 0.00 O ATOM 449 C3' DG B 7 2.857 6.782 7.073 1.00 0.00 C ATOM 450 O3' DG B 7 1.480 6.952 6.785 1.00 0.00 O ATOM 451 C2' DG B 7 3.325 7.510 8.325 1.00 0.00 C ATOM 452 C1' DG B 7 2.976 6.510 9.418 1.00 0.00 C ATOM 453 N9 DG B 7 3.716 6.785 10.669 1.00 0.00 N ATOM 454 C8 DG B 7 5.044 7.089 10.810 1.00 0.00 C ATOM 455 N7 DG B 7 5.456 7.139 12.045 1.00 0.00 N ATOM 456 C5 DG B 7 4.304 6.895 12.785 1.00 0.00 C ATOM 457 C6 DG B 7 4.115 6.862 14.199 1.00 0.00 C ATOM 458 O6 DG B 7 4.971 6.941 15.076 1.00 0.00 O ATOM 459 N1 DG B 7 2.776 6.724 14.554 1.00 0.00 N ATOM 460 C2 DG B 7 1.738 6.602 13.650 1.00 0.00 C ATOM 461 N2 DG B 7 0.500 6.514 14.147 1.00 0.00 N ATOM 462 N3 DG B 7 1.921 6.574 12.320 1.00 0.00 N ATOM 463 C4 DG B 7 3.222 6.731 11.952 1.00 0.00 C ATOM 0 H5' DG B 7 4.543 3.749 7.072 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.052 4.644 5.647 1.00 0.00 H new ATOM 0 H4' DG B 7 2.271 4.713 7.213 1.00 0.00 H new ATOM 0 H3' DG B 7 3.353 7.143 6.172 1.00 0.00 H new ATOM 0 H2' DG B 7 4.393 7.727 8.296 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.810 8.461 8.461 1.00 0.00 H new ATOM 0 H1' DG B 7 1.922 6.545 9.692 1.00 0.00 H new ATOM 0 H8 DG B 7 5.695 7.272 9.968 1.00 0.00 H new ATOM 0 H1 DG B 7 2.546 6.712 15.548 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.297 6.423 13.517 1.00 0.00 H new ATOM 0 H22 DG B 7 0.353 6.538 15.156 1.00 0.00 H new ATOM 475 P DC B 8 0.859 8.385 6.372 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.379 8.149 5.596 1.00 0.00 O ATOM 477 OP2 DC B 8 1.936 9.227 5.805 1.00 0.00 O ATOM 478 O5' DC B 8 0.452 8.982 7.811 1.00 0.00 O ATOM 479 C5' DC B 8 -0.654 8.462 8.520 1.00 0.00 C ATOM 480 C4' DC B 8 -0.741 9.053 9.928 1.00 0.00 C ATOM 481 O4' DC B 8 0.416 8.727 10.660 1.00 0.00 O ATOM 482 C3' DC B 8 -0.820 10.579 9.977 1.00 0.00 C ATOM 483 O3' DC B 8 -2.139 11.057 9.814 1.00 0.00 O ATOM 484 C2' DC B 8 -0.268 10.886 11.368 1.00 0.00 C ATOM 485 C1' DC B 8 0.460 9.598 11.771 1.00 0.00 C ATOM 486 N1 DC B 8 1.869 9.864 12.167 1.00 0.00 N ATOM 487 C2 DC B 8 2.203 9.883 13.522 1.00 0.00 C ATOM 488 O2 DC B 8 1.349 9.761 14.397 1.00 0.00 O ATOM 489 N3 DC B 8 3.512 10.039 13.865 1.00 0.00 N ATOM 490 C4 DC B 8 4.465 10.187 12.932 1.00 0.00 C ATOM 491 N4 DC B 8 5.737 10.282 13.332 1.00 0.00 N ATOM 492 C5 DC B 8 4.138 10.212 11.533 1.00 0.00 C ATOM 493 C6 DC B 8 2.835 10.045 11.207 1.00 0.00 C ATOM 0 H5' DC B 8 -0.570 7.377 8.584 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.573 8.679 7.975 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.659 8.631 10.337 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.270 11.064 9.171 1.00 0.00 H new ATOM 0 H2' DC B 8 0.411 11.739 11.349 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.066 11.130 12.069 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.139 12.036 9.854 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.028 9.153 12.638 1.00 0.00 H new ATOM 0 H41 DC B 8 6.481 10.395 12.643 1.00 0.00 H new ATOM 0 H42 DC B 8 5.963 10.241 14.326 1.00 0.00 H new ATOM 0 H5 DC B 8 4.896 10.357 10.777 1.00 0.00 H new ATOM 0 H6 DC B 8 2.547 10.054 10.166 1.00 0.00 H new TER 506 DC B 8