USER MOD reduce.3.24.130724 H: found=0, std=0, add=147, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 147 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= -0.0424 (180deg=-0.0424) USER MOD Single : A 11 DT C7 :methyl -30:sc= -0.273 (180deg=-0.304) USER MOD Single : A 13 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -1.895 9.405 10.412 1.00 0.00 O ATOM 2 C5' DG A 1 -2.923 8.876 11.224 1.00 0.00 C ATOM 3 C4' DG A 1 -3.378 7.504 10.712 1.00 0.00 C ATOM 4 O4' DG A 1 -3.892 7.644 9.396 1.00 0.00 O ATOM 5 C3' DG A 1 -2.237 6.474 10.660 1.00 0.00 C ATOM 6 O3' DG A 1 -2.732 5.224 11.117 1.00 0.00 O ATOM 7 C2' DG A 1 -1.906 6.454 9.170 1.00 0.00 C ATOM 8 C1' DG A 1 -3.295 6.657 8.579 1.00 0.00 C ATOM 9 N9 DG A 1 -3.245 7.108 7.171 1.00 0.00 N ATOM 10 C8 DG A 1 -2.614 8.207 6.643 1.00 0.00 C ATOM 11 N7 DG A 1 -2.791 8.361 5.361 1.00 0.00 N ATOM 12 C5 DG A 1 -3.604 7.290 5.007 1.00 0.00 C ATOM 13 C6 DG A 1 -4.154 6.933 3.739 1.00 0.00 C ATOM 14 O6 DG A 1 -4.001 7.504 2.662 1.00 0.00 O ATOM 15 N1 DG A 1 -4.956 5.795 3.808 1.00 0.00 N ATOM 16 C2 DG A 1 -5.152 5.047 4.956 1.00 0.00 C ATOM 17 N2 DG A 1 -5.870 3.926 4.847 1.00 0.00 N ATOM 18 N3 DG A 1 -4.637 5.384 6.148 1.00 0.00 N ATOM 19 C4 DG A 1 -3.885 6.516 6.109 1.00 0.00 C ATOM 0 H5' DG A 1 -3.770 9.562 11.237 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.570 8.786 12.251 1.00 0.00 H new ATOM 0 H4' DG A 1 -4.132 7.143 11.411 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.367 6.697 11.278 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.214 7.248 8.888 1.00 0.00 H new ATOM 0 H2'' DG A 1 -1.455 5.512 8.857 1.00 0.00 H new ATOM 0 HO5' DG A 1 -1.623 10.281 10.758 1.00 0.00 H new ATOM 0 H1' DG A 1 -3.857 5.723 8.564 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.022 8.886 7.239 1.00 0.00 H new ATOM 0 H1 DG A 1 -5.430 5.494 2.956 1.00 0.00 H new ATOM 0 H21 DG A 1 -6.038 3.346 5.669 1.00 0.00 H new ATOM 0 H22 DG A 1 -6.250 3.650 3.942 1.00 0.00 H new ATOM 32 P DC A 2 -1.818 3.889 11.190 1.00 0.00 P ATOM 33 OP1 DC A 2 -2.176 3.156 12.424 1.00 0.00 O ATOM 34 OP2 DC A 2 -0.408 4.267 10.946 1.00 0.00 O ATOM 35 O5' DC A 2 -2.335 3.029 9.923 1.00 0.00 O ATOM 36 C5' DC A 2 -3.627 2.448 9.913 1.00 0.00 C ATOM 37 C4' DC A 2 -3.878 1.669 8.617 1.00 0.00 C ATOM 38 O4' DC A 2 -3.802 2.554 7.509 1.00 0.00 O ATOM 39 C3' DC A 2 -2.862 0.537 8.385 1.00 0.00 C ATOM 40 O3' DC A 2 -3.556 -0.628 7.960 1.00 0.00 O ATOM 41 C2' DC A 2 -1.998 1.119 7.270 1.00 0.00 C ATOM 42 C1' DC A 2 -3.042 1.923 6.500 1.00 0.00 C ATOM 43 N1 DC A 2 -2.430 2.928 5.589 1.00 0.00 N ATOM 44 C2 DC A 2 -2.684 2.854 4.216 1.00 0.00 C ATOM 45 O2 DC A 2 -3.372 1.957 3.734 1.00 0.00 O ATOM 46 N3 DC A 2 -2.146 3.807 3.404 1.00 0.00 N ATOM 47 C4 DC A 2 -1.384 4.794 3.896 1.00 0.00 C ATOM 48 N4 DC A 2 -0.891 5.707 3.055 1.00 0.00 N ATOM 49 C5 DC A 2 -1.105 4.888 5.301 1.00 0.00 C ATOM 50 C6 DC A 2 -1.650 3.939 6.097 1.00 0.00 C ATOM 0 H5' DC A 2 -4.380 3.229 10.022 1.00 0.00 H new ATOM 0 H5'' DC A 2 -3.734 1.780 10.768 1.00 0.00 H new ATOM 0 H4' DC A 2 -4.868 1.223 8.713 1.00 0.00 H new ATOM 0 H3' DC A 2 -2.283 0.241 9.260 1.00 0.00 H new ATOM 0 H2' DC A 2 -1.193 1.745 7.654 1.00 0.00 H new ATOM 0 H2'' DC A 2 -1.536 0.345 6.657 1.00 0.00 H new ATOM 0 H1' DC A 2 -3.639 1.285 5.849 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.309 6.466 3.410 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.097 5.645 2.058 1.00 0.00 H new ATOM 0 H5 DC A 2 -0.489 5.679 5.704 1.00 0.00 H new ATOM 0 H6 DC A 2 -1.467 3.977 7.161 1.00 0.00 H new ATOM 62 P DA A 3 -2.812 -2.038 7.670 1.00 0.00 P ATOM 63 OP1 DA A 3 -3.620 -3.114 8.286 1.00 0.00 O ATOM 64 OP2 DA A 3 -1.382 -1.902 8.025 1.00 0.00 O ATOM 65 O5' DA A 3 -2.911 -2.187 6.064 1.00 0.00 O ATOM 66 C5' DA A 3 -4.144 -2.472 5.426 1.00 0.00 C ATOM 67 C4' DA A 3 -3.958 -2.684 3.919 1.00 0.00 C ATOM 68 O4' DA A 3 -3.458 -1.494 3.333 1.00 0.00 O ATOM 69 C3' DA A 3 -2.979 -3.821 3.587 1.00 0.00 C ATOM 70 O3' DA A 3 -3.498 -4.561 2.492 1.00 0.00 O ATOM 71 C2' DA A 3 -1.714 -3.051 3.219 1.00 0.00 C ATOM 72 C1' DA A 3 -2.312 -1.809 2.566 1.00 0.00 C ATOM 73 N9 DA A 3 -1.392 -0.652 2.596 1.00 0.00 N ATOM 74 C8 DA A 3 -0.808 -0.061 3.688 1.00 0.00 C ATOM 75 N7 DA A 3 -0.179 1.051 3.429 1.00 0.00 N ATOM 76 C5 DA A 3 -0.354 1.208 2.060 1.00 0.00 C ATOM 77 C6 DA A 3 0.047 2.209 1.152 1.00 0.00 C ATOM 78 N6 DA A 3 0.704 3.311 1.527 1.00 0.00 N ATOM 79 N1 DA A 3 -0.261 2.048 -0.148 1.00 0.00 N ATOM 80 C2 DA A 3 -0.939 0.970 -0.529 1.00 0.00 C ATOM 81 N3 DA A 3 -1.388 -0.028 0.225 1.00 0.00 N ATOM 82 C4 DA A 3 -1.062 0.155 1.534 1.00 0.00 C ATOM 0 H5' DA A 3 -4.842 -1.652 5.596 1.00 0.00 H new ATOM 0 H5'' DA A 3 -4.587 -3.364 5.869 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.937 -2.952 3.521 1.00 0.00 H new ATOM 0 H3' DA A 3 -2.805 -4.545 4.384 1.00 0.00 H new ATOM 0 H2' DA A 3 -1.110 -2.808 4.093 1.00 0.00 H new ATOM 0 H2'' DA A 3 -1.075 -3.610 2.535 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.528 -2.011 1.517 1.00 0.00 H new ATOM 0 H8 DA A 3 -0.865 -0.483 4.681 1.00 0.00 H new ATOM 0 H61 DA A 3 0.972 4.006 0.831 1.00 0.00 H new ATOM 0 H62 DA A 3 0.937 3.456 2.509 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.152 0.896 -1.585 1.00 0.00 H new ATOM 94 P DT A 4 -2.765 -5.878 1.902 1.00 0.00 P ATOM 95 OP1 DT A 4 -3.810 -6.780 1.369 1.00 0.00 O ATOM 96 OP2 DT A 4 -1.810 -6.380 2.916 1.00 0.00 O ATOM 97 O5' DT A 4 -1.918 -5.295 0.659 1.00 0.00 O ATOM 98 C5' DT A 4 -2.552 -4.944 -0.557 1.00 0.00 C ATOM 99 C4' DT A 4 -1.549 -4.314 -1.527 1.00 0.00 C ATOM 100 O4' DT A 4 -1.015 -3.127 -0.970 1.00 0.00 O ATOM 101 C3' DT A 4 -0.364 -5.229 -1.890 1.00 0.00 C ATOM 102 O3' DT A 4 -0.405 -5.501 -3.283 1.00 0.00 O ATOM 103 C2' DT A 4 0.847 -4.387 -1.479 1.00 0.00 C ATOM 104 C1' DT A 4 0.276 -2.971 -1.513 1.00 0.00 C ATOM 105 N1 DT A 4 1.068 -2.001 -0.707 1.00 0.00 N ATOM 106 C2 DT A 4 1.580 -0.862 -1.333 1.00 0.00 C ATOM 107 O2 DT A 4 1.470 -0.643 -2.537 1.00 0.00 O ATOM 108 N3 DT A 4 2.238 0.047 -0.515 1.00 0.00 N ATOM 109 C4 DT A 4 2.438 -0.084 0.852 1.00 0.00 C ATOM 110 O4 DT A 4 3.018 0.799 1.478 1.00 0.00 O ATOM 111 C5 DT A 4 1.905 -1.307 1.422 1.00 0.00 C ATOM 112 C7 DT A 4 2.108 -1.600 2.896 1.00 0.00 C ATOM 113 C6 DT A 4 1.244 -2.200 0.644 1.00 0.00 C ATOM 0 H5' DT A 4 -3.364 -4.244 -0.361 1.00 0.00 H new ATOM 0 H5'' DT A 4 -2.997 -5.830 -1.010 1.00 0.00 H new ATOM 0 H4' DT A 4 -2.115 -4.122 -2.439 1.00 0.00 H new ATOM 0 H3' DT A 4 -0.357 -6.204 -1.402 1.00 0.00 H new ATOM 0 H2' DT A 4 1.213 -4.656 -0.488 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.681 -4.507 -2.170 1.00 0.00 H new ATOM 0 H1' DT A 4 0.287 -2.560 -2.522 1.00 0.00 H new ATOM 0 H3 DT A 4 2.608 0.887 -0.959 1.00 0.00 H new ATOM 0 H71 DT A 4 1.273 -2.194 3.267 1.00 0.00 H new ATOM 0 H72 DT A 4 3.036 -2.155 3.032 1.00 0.00 H new ATOM 0 H73 DT A 4 2.161 -0.662 3.449 1.00 0.00 H new ATOM 0 H6 DT A 4 0.844 -3.094 1.098 1.00 0.00 H new ATOM 126 P DC A 5 0.687 -6.431 -4.036 1.00 0.00 P ATOM 127 OP1 DC A 5 0.050 -7.004 -5.243 1.00 0.00 O ATOM 128 OP2 DC A 5 1.313 -7.328 -3.038 1.00 0.00 O ATOM 129 O5' DC A 5 1.791 -5.353 -4.509 1.00 0.00 O ATOM 130 C5' DC A 5 1.541 -4.481 -5.595 1.00 0.00 C ATOM 131 C4' DC A 5 2.617 -3.396 -5.671 1.00 0.00 C ATOM 132 O4' DC A 5 2.760 -2.745 -4.422 1.00 0.00 O ATOM 133 C3' DC A 5 4.011 -3.912 -6.061 1.00 0.00 C ATOM 134 O3' DC A 5 4.265 -3.629 -7.429 1.00 0.00 O ATOM 135 C2' DC A 5 4.942 -3.140 -5.121 1.00 0.00 C ATOM 136 C1' DC A 5 4.019 -2.116 -4.469 1.00 0.00 C ATOM 137 N1 DC A 5 4.494 -1.670 -3.129 1.00 0.00 N ATOM 138 C2 DC A 5 5.049 -0.393 -3.005 1.00 0.00 C ATOM 139 O2 DC A 5 5.204 0.341 -3.978 1.00 0.00 O ATOM 140 N3 DC A 5 5.430 0.037 -1.770 1.00 0.00 N ATOM 141 C4 DC A 5 5.288 -0.744 -0.690 1.00 0.00 C ATOM 142 N4 DC A 5 5.657 -0.264 0.501 1.00 0.00 N ATOM 143 C5 DC A 5 4.735 -2.064 -0.793 1.00 0.00 C ATOM 144 C6 DC A 5 4.350 -2.476 -2.023 1.00 0.00 C ATOM 0 H5' DC A 5 0.560 -4.021 -5.481 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.521 -5.047 -6.526 1.00 0.00 H new ATOM 0 H4' DC A 5 2.266 -2.722 -6.452 1.00 0.00 H new ATOM 0 H3' DC A 5 4.136 -4.990 -5.961 1.00 0.00 H new ATOM 0 H2' DC A 5 5.400 -3.796 -4.381 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.754 -2.659 -5.666 1.00 0.00 H new ATOM 0 H1' DC A 5 3.985 -1.189 -5.041 1.00 0.00 H new ATOM 0 H41 DC A 5 5.558 -0.841 1.336 1.00 0.00 H new ATOM 0 H42 DC A 5 6.038 0.679 0.575 1.00 0.00 H new ATOM 0 H5 DC A 5 4.631 -2.701 0.073 1.00 0.00 H new ATOM 0 H6 DC A 5 3.920 -3.460 -2.139 1.00 0.00 H new ATOM 156 P DG A 6 5.549 -4.224 -8.219 1.00 0.00 P ATOM 157 OP1 DG A 6 5.326 -4.012 -9.667 1.00 0.00 O ATOM 158 OP2 DG A 6 5.812 -5.590 -7.714 1.00 0.00 O ATOM 159 O5' DG A 6 6.775 -3.281 -7.760 1.00 0.00 O ATOM 160 C5' DG A 6 6.880 -1.938 -8.193 1.00 0.00 C ATOM 161 C4' DG A 6 8.077 -1.238 -7.537 1.00 0.00 C ATOM 162 O4' DG A 6 7.887 -1.159 -6.132 1.00 0.00 O ATOM 163 C3' DG A 6 9.412 -1.957 -7.782 1.00 0.00 C ATOM 164 O3' DG A 6 10.394 -0.947 -7.966 1.00 0.00 O ATOM 165 C2' DG A 6 9.580 -2.746 -6.483 1.00 0.00 C ATOM 166 C1' DG A 6 8.996 -1.755 -5.483 1.00 0.00 C ATOM 167 N9 DG A 6 8.578 -2.342 -4.189 1.00 0.00 N ATOM 168 C8 DG A 6 8.079 -3.593 -3.917 1.00 0.00 C ATOM 169 N7 DG A 6 7.795 -3.796 -2.661 1.00 0.00 N ATOM 170 C5 DG A 6 8.130 -2.597 -2.046 1.00 0.00 C ATOM 171 C6 DG A 6 8.074 -2.226 -0.669 1.00 0.00 C ATOM 172 O6 DG A 6 7.694 -2.902 0.283 1.00 0.00 O ATOM 173 N1 DG A 6 8.519 -0.925 -0.450 1.00 0.00 N ATOM 174 C2 DG A 6 8.943 -0.066 -1.446 1.00 0.00 C ATOM 175 N2 DG A 6 9.341 1.152 -1.065 1.00 0.00 N ATOM 176 N3 DG A 6 8.996 -0.414 -2.742 1.00 0.00 N ATOM 177 C4 DG A 6 8.587 -1.692 -2.975 1.00 0.00 C ATOM 0 H5' DG A 6 5.963 -1.401 -7.950 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.988 -1.910 -9.277 1.00 0.00 H new ATOM 0 H4' DG A 6 8.128 -0.250 -7.995 1.00 0.00 H new ATOM 0 H3' DG A 6 9.479 -2.612 -8.651 1.00 0.00 H new ATOM 0 H2' DG A 6 9.036 -3.690 -6.498 1.00 0.00 H new ATOM 0 H2'' DG A 6 10.623 -2.982 -6.273 1.00 0.00 H new ATOM 0 H1' DG A 6 9.773 -1.042 -5.209 1.00 0.00 H new ATOM 0 H8 DG A 6 7.934 -4.344 -4.679 1.00 0.00 H new ATOM 0 H1 DG A 6 8.533 -0.583 0.511 1.00 0.00 H new ATOM 0 H21 DG A 6 9.663 1.824 -1.761 1.00 0.00 H new ATOM 0 H22 DG A 6 9.322 1.409 -0.078 1.00 0.00 H new ATOM 189 P DA A 7 11.973 -1.247 -8.133 1.00 0.00 P ATOM 190 OP1 DA A 7 12.511 -0.328 -9.161 1.00 0.00 O ATOM 191 OP2 DA A 7 12.177 -2.707 -8.270 1.00 0.00 O ATOM 192 O5' DA A 7 12.532 -0.783 -6.693 1.00 0.00 O ATOM 193 C5' DA A 7 12.513 0.584 -6.317 1.00 0.00 C ATOM 194 C4' DA A 7 12.923 0.754 -4.852 1.00 0.00 C ATOM 195 O4' DA A 7 12.045 -0.002 -4.037 1.00 0.00 O ATOM 196 C3' DA A 7 14.356 0.271 -4.566 1.00 0.00 C ATOM 197 O3' DA A 7 15.256 1.323 -4.223 1.00 0.00 O ATOM 198 C2' DA A 7 14.169 -0.797 -3.488 1.00 0.00 C ATOM 199 C1' DA A 7 12.778 -0.485 -2.932 1.00 0.00 C ATOM 200 N9 DA A 7 12.134 -1.700 -2.390 1.00 0.00 N ATOM 201 C8 DA A 7 11.786 -2.849 -3.056 1.00 0.00 C ATOM 202 N7 DA A 7 11.271 -3.775 -2.296 1.00 0.00 N ATOM 203 C5 DA A 7 11.265 -3.195 -1.032 1.00 0.00 C ATOM 204 C6 DA A 7 10.834 -3.649 0.232 1.00 0.00 C ATOM 205 N6 DA A 7 10.306 -4.863 0.426 1.00 0.00 N ATOM 206 N1 DA A 7 10.940 -2.815 1.285 1.00 0.00 N ATOM 207 C2 DA A 7 11.452 -1.601 1.097 1.00 0.00 C ATOM 208 N3 DA A 7 11.898 -1.059 -0.033 1.00 0.00 N ATOM 209 C4 DA A 7 11.776 -1.921 -1.081 1.00 0.00 C ATOM 0 H5' DA A 7 11.514 0.993 -6.469 1.00 0.00 H new ATOM 0 H5'' DA A 7 13.190 1.150 -6.956 1.00 0.00 H new ATOM 0 H4' DA A 7 12.875 1.821 -4.634 1.00 0.00 H new ATOM 0 H3' DA A 7 14.847 -0.139 -5.449 1.00 0.00 H new ATOM 0 H2' DA A 7 14.221 -1.803 -3.904 1.00 0.00 H new ATOM 0 H2'' DA A 7 14.936 -0.731 -2.717 1.00 0.00 H new ATOM 0 H1' DA A 7 12.826 0.233 -2.113 1.00 0.00 H new ATOM 0 H8 DA A 7 11.927 -2.975 -4.119 1.00 0.00 H new ATOM 0 H61 DA A 7 10.009 -5.147 1.360 1.00 0.00 H new ATOM 0 H62 DA A 7 10.201 -5.505 -0.360 1.00 0.00 H new ATOM 0 H2 DA A 7 11.513 -0.975 1.975 1.00 0.00 H new ATOM 221 P DC A 8 15.240 2.138 -2.820 1.00 0.00 P ATOM 222 OP1 DC A 8 15.980 1.348 -1.812 1.00 0.00 O ATOM 223 OP2 DC A 8 13.858 2.579 -2.530 1.00 0.00 O ATOM 224 O5' DC A 8 16.127 3.447 -3.166 1.00 0.00 O ATOM 225 C5' DC A 8 16.027 4.627 -2.388 1.00 0.00 C ATOM 226 C4' DC A 8 15.216 5.722 -3.106 1.00 0.00 C ATOM 227 O4' DC A 8 14.139 5.154 -3.844 1.00 0.00 O ATOM 228 C3' DC A 8 14.588 6.673 -2.079 1.00 0.00 C ATOM 229 O3' DC A 8 14.429 7.964 -2.657 1.00 0.00 O ATOM 230 C2' DC A 8 13.259 5.957 -1.860 1.00 0.00 C ATOM 231 C1' DC A 8 12.911 5.611 -3.307 1.00 0.00 C ATOM 232 N1 DC A 8 11.813 4.652 -3.626 1.00 0.00 N ATOM 233 C2 DC A 8 11.021 4.046 -2.640 1.00 0.00 C ATOM 234 O2 DC A 8 11.091 4.355 -1.453 1.00 0.00 O ATOM 235 N3 DC A 8 10.124 3.092 -3.028 1.00 0.00 N ATOM 236 C4 DC A 8 9.943 2.792 -4.322 1.00 0.00 C ATOM 237 N4 DC A 8 9.076 1.830 -4.647 1.00 0.00 N ATOM 238 C5 DC A 8 10.641 3.497 -5.355 1.00 0.00 C ATOM 239 C6 DC A 8 11.567 4.397 -4.955 1.00 0.00 C ATOM 0 H5' DC A 8 17.026 5.002 -2.167 1.00 0.00 H new ATOM 0 H5'' DC A 8 15.556 4.393 -1.433 1.00 0.00 H new ATOM 0 H4' DC A 8 15.903 6.248 -3.769 1.00 0.00 H new ATOM 0 H3' DC A 8 15.152 6.852 -1.163 1.00 0.00 H new ATOM 0 H2' DC A 8 13.360 5.072 -1.231 1.00 0.00 H new ATOM 0 H2'' DC A 8 12.511 6.597 -1.392 1.00 0.00 H new ATOM 0 H1' DC A 8 12.473 6.511 -3.738 1.00 0.00 H new ATOM 0 H41 DC A 8 8.926 1.589 -5.627 1.00 0.00 H new ATOM 0 H42 DC A 8 8.564 1.337 -3.916 1.00 0.00 H new ATOM 0 H5 DC A 8 10.438 3.319 -6.401 1.00 0.00 H new ATOM 0 H6 DC A 8 12.132 4.933 -5.703 1.00 0.00 H new ATOM 251 P DG A 9 13.701 9.192 -1.886 1.00 0.00 P ATOM 252 OP1 DG A 9 14.138 10.453 -2.526 1.00 0.00 O ATOM 253 OP2 DG A 9 13.892 9.008 -0.430 1.00 0.00 O ATOM 254 O5' DG A 9 12.132 8.980 -2.220 1.00 0.00 O ATOM 255 C5' DG A 9 11.631 9.170 -3.530 1.00 0.00 C ATOM 256 C4' DG A 9 10.185 8.674 -3.663 1.00 0.00 C ATOM 257 O4' DG A 9 9.901 7.486 -2.938 1.00 0.00 O ATOM 258 C3' DG A 9 9.124 9.711 -3.259 1.00 0.00 C ATOM 259 O3' DG A 9 8.617 10.272 -4.460 1.00 0.00 O ATOM 260 C2' DG A 9 8.121 8.870 -2.457 1.00 0.00 C ATOM 261 C1' DG A 9 8.488 7.442 -2.843 1.00 0.00 C ATOM 262 N9 DG A 9 7.993 6.423 -1.881 1.00 0.00 N ATOM 263 C8 DG A 9 7.876 6.487 -0.511 1.00 0.00 C ATOM 264 N7 DG A 9 7.477 5.379 0.044 1.00 0.00 N ATOM 265 C5 DG A 9 7.258 4.528 -1.031 1.00 0.00 C ATOM 266 C6 DG A 9 6.763 3.191 -1.049 1.00 0.00 C ATOM 267 O6 DG A 9 6.546 2.454 -0.090 1.00 0.00 O ATOM 268 N1 DG A 9 6.503 2.739 -2.339 1.00 0.00 N ATOM 269 C2 DG A 9 6.706 3.490 -3.483 1.00 0.00 C ATOM 270 N2 DG A 9 6.312 2.956 -4.643 1.00 0.00 N ATOM 271 N3 DG A 9 7.236 4.723 -3.471 1.00 0.00 N ATOM 272 C4 DG A 9 7.490 5.186 -2.216 1.00 0.00 C ATOM 0 H5' DG A 9 12.264 8.640 -4.242 1.00 0.00 H new ATOM 0 H5'' DG A 9 11.678 10.228 -3.787 1.00 0.00 H new ATOM 0 H4' DG A 9 10.120 8.473 -4.732 1.00 0.00 H new ATOM 0 H3' DG A 9 9.453 10.559 -2.658 1.00 0.00 H new ATOM 0 H2' DG A 9 8.221 9.037 -1.384 1.00 0.00 H new ATOM 0 H2'' DG A 9 7.091 9.108 -2.722 1.00 0.00 H new ATOM 0 H1' DG A 9 8.015 7.127 -3.773 1.00 0.00 H new ATOM 0 H8 DG A 9 8.096 7.380 0.055 1.00 0.00 H new ATOM 0 H1 DG A 9 6.139 1.792 -2.448 1.00 0.00 H new ATOM 0 H21 DG A 9 6.441 3.473 -5.513 1.00 0.00 H new ATOM 0 H22 DG A 9 5.882 2.031 -4.659 1.00 0.00 H new ATOM 284 P DA A 10 7.259 11.139 -4.550 1.00 0.00 P ATOM 285 OP1 DA A 10 7.379 12.080 -5.685 1.00 0.00 O ATOM 286 OP2 DA A 10 6.911 11.642 -3.202 1.00 0.00 O ATOM 287 O5' DA A 10 6.219 9.977 -4.960 1.00 0.00 O ATOM 288 C5' DA A 10 6.404 9.222 -6.145 1.00 0.00 C ATOM 289 C4' DA A 10 5.382 8.088 -6.220 1.00 0.00 C ATOM 290 O4' DA A 10 5.498 7.231 -5.097 1.00 0.00 O ATOM 291 C3' DA A 10 3.933 8.591 -6.269 1.00 0.00 C ATOM 292 O3' DA A 10 3.393 8.322 -7.553 1.00 0.00 O ATOM 293 C2' DA A 10 3.269 7.798 -5.142 1.00 0.00 C ATOM 294 C1' DA A 10 4.232 6.642 -4.902 1.00 0.00 C ATOM 295 N9 DA A 10 4.107 6.106 -3.528 1.00 0.00 N ATOM 296 C8 DA A 10 4.446 6.721 -2.349 1.00 0.00 C ATOM 297 N7 DA A 10 4.268 5.986 -1.288 1.00 0.00 N ATOM 298 C5 DA A 10 3.768 4.793 -1.797 1.00 0.00 C ATOM 299 C6 DA A 10 3.393 3.577 -1.189 1.00 0.00 C ATOM 300 N6 DA A 10 3.499 3.372 0.128 1.00 0.00 N ATOM 301 N1 DA A 10 2.931 2.581 -1.971 1.00 0.00 N ATOM 302 C2 DA A 10 2.848 2.784 -3.285 1.00 0.00 C ATOM 303 N3 DA A 10 3.177 3.874 -3.976 1.00 0.00 N ATOM 304 C4 DA A 10 3.644 4.861 -3.162 1.00 0.00 C ATOM 0 H5' DA A 10 7.414 8.812 -6.169 1.00 0.00 H new ATOM 0 H5'' DA A 10 6.302 9.870 -7.016 1.00 0.00 H new ATOM 0 H4' DA A 10 5.603 7.556 -7.145 1.00 0.00 H new ATOM 0 H3' DA A 10 3.799 9.663 -6.128 1.00 0.00 H new ATOM 0 H2' DA A 10 3.141 8.405 -4.246 1.00 0.00 H new ATOM 0 H2'' DA A 10 2.280 7.443 -5.431 1.00 0.00 H new ATOM 0 H1' DA A 10 4.043 5.794 -5.560 1.00 0.00 H new ATOM 0 H8 DA A 10 4.828 7.730 -2.304 1.00 0.00 H new ATOM 0 H61 DA A 10 3.217 2.478 0.529 1.00 0.00 H new ATOM 0 H62 DA A 10 3.862 4.110 0.731 1.00 0.00 H new ATOM 0 H2 DA A 10 2.464 1.958 -3.865 1.00 0.00 H new ATOM 316 P DT A 11 1.888 8.737 -7.974 1.00 0.00 P ATOM 317 OP1 DT A 11 1.849 8.896 -9.445 1.00 0.00 O ATOM 318 OP2 DT A 11 1.437 9.843 -7.101 1.00 0.00 O ATOM 319 O5' DT A 11 1.046 7.418 -7.591 1.00 0.00 O ATOM 320 C5' DT A 11 1.278 6.190 -8.252 1.00 0.00 C ATOM 321 C4' DT A 11 0.449 5.078 -7.607 1.00 0.00 C ATOM 322 O4' DT A 11 0.810 4.953 -6.241 1.00 0.00 O ATOM 323 C3' DT A 11 -1.063 5.348 -7.672 1.00 0.00 C ATOM 324 O3' DT A 11 -1.710 4.195 -8.191 1.00 0.00 O ATOM 325 C2' DT A 11 -1.412 5.599 -6.206 1.00 0.00 C ATOM 326 C1' DT A 11 -0.373 4.724 -5.509 1.00 0.00 C ATOM 327 N1 DT A 11 -0.168 5.054 -4.071 1.00 0.00 N ATOM 328 C2 DT A 11 -0.319 4.039 -3.127 1.00 0.00 C ATOM 329 O2 DT A 11 -0.708 2.907 -3.404 1.00 0.00 O ATOM 330 N3 DT A 11 -0.006 4.371 -1.817 1.00 0.00 N ATOM 331 C4 DT A 11 0.448 5.597 -1.362 1.00 0.00 C ATOM 332 O4 DT A 11 0.733 5.745 -0.176 1.00 0.00 O ATOM 333 C5 DT A 11 0.546 6.610 -2.395 1.00 0.00 C ATOM 334 C7 DT A 11 0.981 8.012 -2.016 1.00 0.00 C ATOM 335 C6 DT A 11 0.240 6.312 -3.685 1.00 0.00 C ATOM 0 H5' DT A 11 2.337 5.938 -8.205 1.00 0.00 H new ATOM 0 H5'' DT A 11 1.019 6.282 -9.307 1.00 0.00 H new ATOM 0 H4' DT A 11 0.658 4.166 -8.166 1.00 0.00 H new ATOM 0 H3' DT A 11 -1.365 6.177 -8.313 1.00 0.00 H new ATOM 0 H2' DT A 11 -1.317 6.650 -5.933 1.00 0.00 H new ATOM 0 H2'' DT A 11 -2.432 5.299 -5.967 1.00 0.00 H new ATOM 0 H1' DT A 11 -0.695 3.683 -5.498 1.00 0.00 H new ATOM 0 H3 DT A 11 -0.122 3.637 -1.118 1.00 0.00 H new ATOM 0 H71 DT A 11 0.669 8.226 -0.994 1.00 0.00 H new ATOM 0 H72 DT A 11 2.066 8.088 -2.087 1.00 0.00 H new ATOM 0 H73 DT A 11 0.521 8.731 -2.694 1.00 0.00 H new ATOM 0 H6 DT A 11 0.319 7.087 -4.433 1.00 0.00 H new ATOM 348 P DG A 12 -3.295 4.157 -8.515 1.00 0.00 P ATOM 349 OP1 DG A 12 -3.483 3.434 -9.793 1.00 0.00 O ATOM 350 OP2 DG A 12 -3.845 5.521 -8.357 1.00 0.00 O ATOM 351 O5' DG A 12 -3.886 3.242 -7.324 1.00 0.00 O ATOM 352 C5' DG A 12 -3.705 1.837 -7.313 1.00 0.00 C ATOM 353 C4' DG A 12 -4.387 1.211 -6.093 1.00 0.00 C ATOM 354 O4' DG A 12 -3.763 1.685 -4.909 1.00 0.00 O ATOM 355 C3' DG A 12 -5.881 1.561 -6.009 1.00 0.00 C ATOM 356 O3' DG A 12 -6.600 0.394 -5.630 1.00 0.00 O ATOM 357 C2' DG A 12 -5.881 2.629 -4.919 1.00 0.00 C ATOM 358 C1' DG A 12 -4.774 2.100 -4.014 1.00 0.00 C ATOM 359 N9 DG A 12 -4.235 3.113 -3.078 1.00 0.00 N ATOM 360 C8 DG A 12 -3.802 4.387 -3.347 1.00 0.00 C ATOM 361 N7 DG A 12 -3.245 4.991 -2.335 1.00 0.00 N ATOM 362 C5 DG A 12 -3.319 4.053 -1.312 1.00 0.00 C ATOM 363 C6 DG A 12 -2.853 4.129 0.035 1.00 0.00 C ATOM 364 O6 DG A 12 -2.230 5.045 0.564 1.00 0.00 O ATOM 365 N1 DG A 12 -3.181 2.993 0.774 1.00 0.00 N ATOM 366 C2 DG A 12 -3.886 1.913 0.276 1.00 0.00 C ATOM 367 N2 DG A 12 -4.207 0.938 1.134 1.00 0.00 N ATOM 368 N3 DG A 12 -4.267 1.817 -1.006 1.00 0.00 N ATOM 369 C4 DG A 12 -3.958 2.916 -1.746 1.00 0.00 C ATOM 0 H5' DG A 12 -2.641 1.603 -7.300 1.00 0.00 H new ATOM 0 H5'' DG A 12 -4.115 1.406 -8.226 1.00 0.00 H new ATOM 0 H4' DG A 12 -4.290 0.130 -6.195 1.00 0.00 H new ATOM 0 H3' DG A 12 -6.346 1.908 -6.932 1.00 0.00 H new ATOM 0 H2' DG A 12 -5.658 3.621 -5.311 1.00 0.00 H new ATOM 0 H2'' DG A 12 -6.840 2.697 -4.405 1.00 0.00 H new ATOM 0 H1' DG A 12 -5.155 1.305 -3.373 1.00 0.00 H new ATOM 0 H8 DG A 12 -3.913 4.851 -4.316 1.00 0.00 H new ATOM 0 H1 DG A 12 -2.880 2.956 1.748 1.00 0.00 H new ATOM 0 H21 DG A 12 -4.727 0.123 0.809 1.00 0.00 H new ATOM 0 H22 DG A 12 -3.932 1.010 2.114 1.00 0.00 H new ATOM 381 P DC A 13 -8.202 0.385 -5.397 1.00 0.00 P ATOM 382 OP1 DC A 13 -8.693 -0.992 -5.622 1.00 0.00 O ATOM 383 OP2 DC A 13 -8.798 1.509 -6.154 1.00 0.00 O ATOM 384 O5' DC A 13 -8.335 0.714 -3.822 1.00 0.00 O ATOM 385 C5' DC A 13 -7.976 -0.243 -2.844 1.00 0.00 C ATOM 386 C4' DC A 13 -8.031 0.368 -1.442 1.00 0.00 C ATOM 387 O4' DC A 13 -7.187 1.493 -1.337 1.00 0.00 O ATOM 388 C3' DC A 13 -9.417 0.864 -1.012 1.00 0.00 C ATOM 389 O3' DC A 13 -10.064 -0.096 -0.203 1.00 0.00 O ATOM 390 C2' DC A 13 -9.115 2.139 -0.218 1.00 0.00 C ATOM 391 C1' DC A 13 -7.586 2.162 -0.160 1.00 0.00 C ATOM 392 N1 DC A 13 -7.025 3.540 -0.107 1.00 0.00 N ATOM 393 C2 DC A 13 -6.344 3.955 1.040 1.00 0.00 C ATOM 394 O2 DC A 13 -6.295 3.250 2.046 1.00 0.00 O ATOM 395 N3 DC A 13 -5.723 5.169 1.026 1.00 0.00 N ATOM 396 C4 DC A 13 -5.768 5.961 -0.056 1.00 0.00 C ATOM 397 N4 DC A 13 -5.101 7.119 -0.032 1.00 0.00 N ATOM 398 C5 DC A 13 -6.510 5.581 -1.224 1.00 0.00 C ATOM 399 C6 DC A 13 -7.116 4.371 -1.198 1.00 0.00 C ATOM 0 H5' DC A 13 -6.971 -0.616 -3.044 1.00 0.00 H new ATOM 0 H5'' DC A 13 -8.650 -1.098 -2.900 1.00 0.00 H new ATOM 0 H4' DC A 13 -7.723 -0.457 -0.800 1.00 0.00 H new ATOM 0 H3' DC A 13 -10.085 1.042 -1.855 1.00 0.00 H new ATOM 0 H2' DC A 13 -9.512 3.025 -0.713 1.00 0.00 H new ATOM 0 H2'' DC A 13 -9.555 2.106 0.779 1.00 0.00 H new ATOM 0 HO3' DC A 13 -10.946 0.240 0.062 1.00 0.00 H new ATOM 0 H1' DC A 13 -7.217 1.687 0.749 1.00 0.00 H new ATOM 0 H41 DC A 13 -5.122 7.736 -0.844 1.00 0.00 H new ATOM 0 H42 DC A 13 -4.571 7.385 0.798 1.00 0.00 H new ATOM 0 H5 DC A 13 -6.582 6.230 -2.084 1.00 0.00 H new ATOM 0 H6 DC A 13 -7.686 4.050 -2.057 1.00 0.00 H new TER 412 DC A 13