USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 173 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 3 DT C7 :methyl -30:sc= -0.256 (180deg=-2.14!) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.106 (180deg=-1.87) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -0.184 -11.378 5.074 1.00 0.00 O ATOM 2 C5' DG A 1 -0.097 -10.036 5.564 1.00 0.00 C ATOM 3 C4' DG A 1 -1.448 -9.362 5.533 1.00 0.00 C ATOM 4 O4' DG A 1 -1.280 -7.985 5.939 1.00 0.00 O ATOM 5 C3' DG A 1 -2.117 -9.328 4.155 1.00 0.00 C ATOM 6 O3' DG A 1 -3.267 -10.196 4.113 1.00 0.00 O ATOM 7 C2' DG A 1 -2.512 -7.871 3.943 1.00 0.00 C ATOM 8 C1' DG A 1 -2.216 -7.176 5.263 1.00 0.00 C ATOM 9 N9 DG A 1 -1.637 -5.842 5.126 1.00 0.00 N ATOM 10 C8 DG A 1 -1.849 -4.754 5.938 1.00 0.00 C ATOM 11 N7 DG A 1 -1.199 -3.689 5.553 1.00 0.00 N ATOM 12 C5 DG A 1 -0.517 -4.099 4.415 1.00 0.00 C ATOM 13 C6 DG A 1 0.356 -3.384 3.551 1.00 0.00 C ATOM 14 O6 DG A 1 0.696 -2.197 3.593 1.00 0.00 O ATOM 15 N1 DG A 1 0.844 -4.192 2.540 1.00 0.00 N ATOM 16 C2 DG A 1 0.507 -5.506 2.343 1.00 0.00 C ATOM 17 N2 DG A 1 1.023 -6.095 1.261 1.00 0.00 N ATOM 18 N3 DG A 1 -0.300 -6.187 3.134 1.00 0.00 N ATOM 19 C4 DG A 1 -0.772 -5.428 4.144 1.00 0.00 C ATOM 0 H5' DG A 1 0.611 -9.469 4.959 1.00 0.00 H new ATOM 0 H5'' DG A 1 0.288 -10.041 6.584 1.00 0.00 H new ATOM 0 H4' DG A 1 -2.085 -9.948 6.196 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.451 -9.684 3.369 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.943 -7.424 3.128 1.00 0.00 H new ATOM 0 H2'' DG A 1 -3.566 -7.784 3.681 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.703 -11.794 5.102 1.00 0.00 H new ATOM 0 H1' DG A 1 -3.162 -7.048 5.790 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.489 -4.777 6.808 1.00 0.00 H new ATOM 0 H1 DG A 1 1.509 -3.776 1.888 1.00 0.00 H new ATOM 0 H21 DG A 1 0.808 -7.072 1.061 1.00 0.00 H new ATOM 0 H22 DG A 1 1.632 -5.568 0.635 1.00 0.00 H new ATOM 32 P DG A 2 -4.483 -10.001 5.154 1.00 0.00 P ATOM 33 OP1 DG A 2 -4.128 -10.662 6.435 1.00 0.00 O ATOM 34 OP2 DG A 2 -5.724 -10.403 4.445 1.00 0.00 O ATOM 35 O5' DG A 2 -4.554 -8.429 5.404 1.00 0.00 O ATOM 36 C5' DG A 2 -5.419 -7.876 6.396 1.00 0.00 C ATOM 37 C4' DG A 2 -6.306 -6.820 5.781 1.00 0.00 C ATOM 38 O4' DG A 2 -5.475 -5.813 5.161 1.00 0.00 O ATOM 39 C3' DG A 2 -7.246 -7.331 4.683 1.00 0.00 C ATOM 40 O3' DG A 2 -8.606 -7.080 5.052 1.00 0.00 O ATOM 41 C2' DG A 2 -6.870 -6.523 3.448 1.00 0.00 C ATOM 42 C1' DG A 2 -6.143 -5.326 4.020 1.00 0.00 C ATOM 43 N9 DG A 2 -5.147 -4.716 3.142 1.00 0.00 N ATOM 44 C8 DG A 2 -4.425 -5.321 2.141 1.00 0.00 C ATOM 45 N7 DG A 2 -3.591 -4.512 1.547 1.00 0.00 N ATOM 46 C5 DG A 2 -3.781 -3.295 2.189 1.00 0.00 C ATOM 47 C6 DG A 2 -3.158 -2.038 1.980 1.00 0.00 C ATOM 48 O6 DG A 2 -2.273 -1.740 1.166 1.00 0.00 O ATOM 49 N1 DG A 2 -3.661 -1.070 2.842 1.00 0.00 N ATOM 50 C2 DG A 2 -4.629 -1.286 3.792 1.00 0.00 C ATOM 51 N2 DG A 2 -4.985 -0.229 4.528 1.00 0.00 N ATOM 52 N3 DG A 2 -5.208 -2.452 4.004 1.00 0.00 N ATOM 53 C4 DG A 2 -4.743 -3.405 3.171 1.00 0.00 C ATOM 0 H5' DG A 2 -4.829 -7.441 7.203 1.00 0.00 H new ATOM 0 H5'' DG A 2 -6.030 -8.664 6.837 1.00 0.00 H new ATOM 0 H4' DG A 2 -6.917 -6.446 6.602 1.00 0.00 H new ATOM 0 H3' DG A 2 -7.153 -8.404 4.515 1.00 0.00 H new ATOM 0 H2' DG A 2 -6.234 -7.094 2.772 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.751 -6.224 2.880 1.00 0.00 H new ATOM 0 H1' DG A 2 -6.878 -4.543 4.204 1.00 0.00 H new ATOM 0 H8 DG A 2 -4.537 -6.361 1.873 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.282 -0.126 2.763 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.699 -0.327 5.250 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.543 0.676 4.368 1.00 0.00 H new ATOM 65 P DT A 3 -9.751 -8.129 4.637 1.00 0.00 P ATOM 66 OP1 DT A 3 -11.014 -7.671 5.270 1.00 0.00 O ATOM 67 OP2 DT A 3 -9.255 -9.504 4.903 1.00 0.00 O ATOM 68 O5' DT A 3 -9.896 -7.931 3.063 1.00 0.00 O ATOM 69 C5' DT A 3 -9.412 -8.916 2.148 1.00 0.00 C ATOM 70 C4' DT A 3 -9.443 -8.376 0.737 1.00 0.00 C ATOM 71 O4' DT A 3 -10.762 -7.842 0.467 1.00 0.00 O ATOM 72 C3' DT A 3 -8.468 -7.233 0.460 1.00 0.00 C ATOM 73 O3' DT A 3 -8.001 -7.306 -0.892 1.00 0.00 O ATOM 74 C2' DT A 3 -9.317 -5.994 0.682 1.00 0.00 C ATOM 75 C1' DT A 3 -10.689 -6.446 0.216 1.00 0.00 C ATOM 76 N1 DT A 3 -11.812 -5.799 0.922 1.00 0.00 N ATOM 77 C2 DT A 3 -12.740 -5.110 0.176 1.00 0.00 C ATOM 78 O2 DT A 3 -12.678 -5.008 -1.037 1.00 0.00 O ATOM 79 N3 DT A 3 -13.750 -4.542 0.906 1.00 0.00 N ATOM 80 C4 DT A 3 -13.921 -4.591 2.273 1.00 0.00 C ATOM 81 O4 DT A 3 -14.884 -4.030 2.787 1.00 0.00 O ATOM 82 C5 DT A 3 -12.908 -5.329 2.995 1.00 0.00 C ATOM 83 C7 DT A 3 -13.012 -5.434 4.484 1.00 0.00 C ATOM 84 C6 DT A 3 -11.913 -5.891 2.294 1.00 0.00 C ATOM 0 H5' DT A 3 -10.023 -9.816 2.214 1.00 0.00 H new ATOM 0 H5'' DT A 3 -8.394 -9.201 2.414 1.00 0.00 H new ATOM 0 H4' DT A 3 -9.163 -9.221 0.108 1.00 0.00 H new ATOM 0 H3' DT A 3 -7.578 -7.250 1.089 1.00 0.00 H new ATOM 0 H2' DT A 3 -9.324 -5.690 1.729 1.00 0.00 H new ATOM 0 H2'' DT A 3 -8.953 -5.144 0.105 1.00 0.00 H new ATOM 0 H1' DT A 3 -10.789 -6.176 -0.835 1.00 0.00 H new ATOM 0 H3 DT A 3 -14.454 -4.025 0.379 1.00 0.00 H new ATOM 0 H71 DT A 3 -13.506 -4.546 4.878 1.00 0.00 H new ATOM 0 H72 DT A 3 -13.592 -6.319 4.747 1.00 0.00 H new ATOM 0 H73 DT A 3 -12.013 -5.514 4.914 1.00 0.00 H new ATOM 0 H6 DT A 3 -11.154 -6.442 2.830 1.00 0.00 H new ATOM 97 P DT A 4 -7.072 -6.135 -1.485 1.00 0.00 P ATOM 98 OP1 DT A 4 -6.024 -6.791 -2.307 1.00 0.00 O ATOM 99 OP2 DT A 4 -6.672 -5.225 -0.382 1.00 0.00 O ATOM 100 O5' DT A 4 -8.049 -5.339 -2.462 1.00 0.00 O ATOM 101 C5' DT A 4 -8.485 -5.914 -3.697 1.00 0.00 C ATOM 102 C4' DT A 4 -7.885 -5.163 -4.863 1.00 0.00 C ATOM 103 O4' DT A 4 -8.081 -3.735 -4.673 1.00 0.00 O ATOM 104 C3' DT A 4 -6.375 -5.359 -5.033 1.00 0.00 C ATOM 105 O3' DT A 4 -6.035 -5.476 -6.418 1.00 0.00 O ATOM 106 C2' DT A 4 -5.783 -4.090 -4.445 1.00 0.00 C ATOM 107 C1' DT A 4 -6.838 -3.063 -4.808 1.00 0.00 C ATOM 108 N1 DT A 4 -6.873 -1.839 -3.968 1.00 0.00 N ATOM 109 C2 DT A 4 -6.731 -0.639 -4.630 1.00 0.00 C ATOM 110 O2 DT A 4 -6.590 -0.558 -5.838 1.00 0.00 O ATOM 111 N3 DT A 4 -6.760 0.468 -3.825 1.00 0.00 N ATOM 112 C4 DT A 4 -6.910 0.500 -2.456 1.00 0.00 C ATOM 113 O4 DT A 4 -6.915 1.578 -1.869 1.00 0.00 O ATOM 114 C5 DT A 4 -7.055 -0.789 -1.821 1.00 0.00 C ATOM 115 C7 DT A 4 -7.182 -0.851 -0.331 1.00 0.00 C ATOM 116 C6 DT A 4 -7.037 -1.885 -2.594 1.00 0.00 C ATOM 0 H5' DT A 4 -9.573 -5.884 -3.757 1.00 0.00 H new ATOM 0 H5'' DT A 4 -8.192 -6.963 -3.741 1.00 0.00 H new ATOM 0 H4' DT A 4 -8.390 -5.561 -5.743 1.00 0.00 H new ATOM 0 H3' DT A 4 -6.007 -6.265 -4.551 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.639 -4.166 -3.367 1.00 0.00 H new ATOM 0 H2'' DT A 4 -4.812 -3.851 -4.880 1.00 0.00 H new ATOM 0 H1' DT A 4 -6.611 -2.700 -5.810 1.00 0.00 H new ATOM 0 H3 DT A 4 -6.659 1.370 -4.291 1.00 0.00 H new ATOM 0 H71 DT A 4 -7.784 -1.716 -0.053 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.191 -0.940 0.115 1.00 0.00 H new ATOM 0 H73 DT A 4 -7.663 0.057 0.031 1.00 0.00 H new ATOM 0 H6 DT A 4 -7.156 -2.849 -2.122 1.00 0.00 H new ATOM 129 P DG A 5 -4.761 -6.356 -6.854 1.00 0.00 P ATOM 130 OP1 DG A 5 -4.180 -5.722 -8.065 1.00 0.00 O ATOM 131 OP2 DG A 5 -5.177 -7.782 -6.900 1.00 0.00 O ATOM 132 O5' DG A 5 -3.731 -6.168 -5.652 1.00 0.00 O ATOM 133 C5' DG A 5 -2.722 -7.145 -5.381 1.00 0.00 C ATOM 134 C4' DG A 5 -1.486 -6.863 -6.204 1.00 0.00 C ATOM 135 O4' DG A 5 -1.147 -5.460 -6.082 1.00 0.00 O ATOM 136 C3' DG A 5 -0.232 -7.624 -5.774 1.00 0.00 C ATOM 137 O3' DG A 5 0.584 -7.905 -6.918 1.00 0.00 O ATOM 138 C2' DG A 5 0.456 -6.644 -4.841 1.00 0.00 C ATOM 139 C1' DG A 5 0.147 -5.320 -5.514 1.00 0.00 C ATOM 140 N9 DG A 5 0.121 -4.158 -4.631 1.00 0.00 N ATOM 141 C8 DG A 5 0.650 -2.919 -4.895 1.00 0.00 C ATOM 142 N7 DG A 5 0.450 -2.058 -3.937 1.00 0.00 N ATOM 143 C5 DG A 5 -0.250 -2.772 -2.974 1.00 0.00 C ATOM 144 C6 DG A 5 -0.749 -2.362 -1.712 1.00 0.00 C ATOM 145 O6 DG A 5 -0.660 -1.248 -1.171 1.00 0.00 O ATOM 146 N1 DG A 5 -1.405 -3.402 -1.060 1.00 0.00 N ATOM 147 C2 DG A 5 -1.533 -4.681 -1.544 1.00 0.00 C ATOM 148 N2 DG A 5 -2.153 -5.559 -0.744 1.00 0.00 N ATOM 149 N3 DG A 5 -1.078 -5.075 -2.722 1.00 0.00 N ATOM 150 C4 DG A 5 -0.453 -4.075 -3.381 1.00 0.00 C ATOM 0 H5' DG A 5 -3.100 -8.141 -5.609 1.00 0.00 H new ATOM 0 H5'' DG A 5 -2.471 -7.135 -4.320 1.00 0.00 H new ATOM 0 H4' DG A 5 -1.749 -7.178 -7.214 1.00 0.00 H new ATOM 0 H3' DG A 5 -0.437 -8.585 -5.302 1.00 0.00 H new ATOM 0 H2' DG A 5 0.057 -6.692 -3.828 1.00 0.00 H new ATOM 0 H2'' DG A 5 1.528 -6.828 -4.770 1.00 0.00 H new ATOM 0 H1' DG A 5 0.947 -5.127 -6.229 1.00 0.00 H new ATOM 0 H8 DG A 5 1.179 -2.681 -5.806 1.00 0.00 H new ATOM 0 H1 DG A 5 -1.823 -3.199 -0.152 1.00 0.00 H new ATOM 0 H21 DG A 5 -2.279 -6.525 -1.047 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.499 -5.262 0.168 1.00 0.00 H new ATOM 162 P DG A 6 1.890 -8.831 -6.764 1.00 0.00 P ATOM 163 OP1 DG A 6 2.254 -9.306 -8.122 1.00 0.00 O ATOM 164 OP2 DG A 6 1.642 -9.819 -5.683 1.00 0.00 O ATOM 165 O5' DG A 6 3.023 -7.821 -6.279 1.00 0.00 O ATOM 166 C5' DG A 6 4.141 -8.284 -5.522 1.00 0.00 C ATOM 167 C4' DG A 6 5.099 -7.148 -5.250 1.00 0.00 C ATOM 168 O4' DG A 6 4.390 -6.100 -4.535 1.00 0.00 O ATOM 169 C3' DG A 6 6.287 -7.536 -4.361 1.00 0.00 C ATOM 170 O3' DG A 6 7.550 -6.959 -4.777 1.00 0.00 O ATOM 171 C2' DG A 6 5.894 -6.990 -3.000 1.00 0.00 C ATOM 172 C1' DG A 6 5.141 -5.741 -3.391 1.00 0.00 C ATOM 173 N9 DG A 6 4.230 -5.224 -2.374 1.00 0.00 N ATOM 174 C8 DG A 6 3.303 -5.918 -1.635 1.00 0.00 C ATOM 175 N7 DG A 6 2.694 -5.177 -0.749 1.00 0.00 N ATOM 176 C5 DG A 6 3.238 -3.912 -0.929 1.00 0.00 C ATOM 177 C6 DG A 6 2.977 -2.683 -0.257 1.00 0.00 C ATOM 178 O6 DG A 6 2.167 -2.444 0.655 1.00 0.00 O ATOM 179 N1 DG A 6 3.762 -1.655 -0.761 1.00 0.00 N ATOM 180 C2 DG A 6 4.650 -1.773 -1.796 1.00 0.00 C ATOM 181 N2 DG A 6 5.264 -0.655 -2.176 1.00 0.00 N ATOM 182 N3 DG A 6 4.908 -2.903 -2.422 1.00 0.00 N ATOM 183 C4 DG A 6 4.174 -3.924 -1.941 1.00 0.00 C ATOM 0 H5' DG A 6 4.653 -9.078 -6.066 1.00 0.00 H new ATOM 0 H5'' DG A 6 3.798 -8.713 -4.580 1.00 0.00 H new ATOM 0 H4' DG A 6 5.478 -6.838 -6.224 1.00 0.00 H new ATOM 0 H3' DG A 6 6.460 -8.612 -4.393 1.00 0.00 H new ATOM 0 H2' DG A 6 5.271 -7.688 -2.441 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.762 -6.770 -2.379 1.00 0.00 H new ATOM 0 H1' DG A 6 5.863 -4.941 -3.553 1.00 0.00 H new ATOM 0 H8 DG A 6 3.099 -6.970 -1.773 1.00 0.00 H new ATOM 0 H1 DG A 6 3.670 -0.738 -0.325 1.00 0.00 H new ATOM 0 H21 DG A 6 5.937 -0.678 -2.942 1.00 0.00 H new ATOM 0 H22 DG A 6 5.061 0.225 -1.701 1.00 0.00 H new ATOM 195 P DT A 7 7.608 -5.666 -5.748 1.00 0.00 P ATOM 196 OP1 DT A 7 6.349 -4.883 -5.703 1.00 0.00 O ATOM 197 OP2 DT A 7 8.117 -6.152 -7.056 1.00 0.00 O ATOM 198 O5' DT A 7 8.753 -4.764 -5.098 1.00 0.00 O ATOM 199 C5' DT A 7 9.395 -3.722 -5.843 1.00 0.00 C ATOM 200 C4' DT A 7 9.240 -2.396 -5.130 1.00 0.00 C ATOM 201 O4' DT A 7 9.514 -1.318 -6.053 1.00 0.00 O ATOM 202 C3' DT A 7 7.845 -2.112 -4.560 1.00 0.00 C ATOM 203 O3' DT A 7 7.836 -2.249 -3.123 1.00 0.00 O ATOM 204 C2' DT A 7 7.518 -0.692 -5.010 1.00 0.00 C ATOM 205 C1' DT A 7 8.811 -0.173 -5.628 1.00 0.00 C ATOM 206 N1 DT A 7 8.669 0.733 -6.793 1.00 0.00 N ATOM 207 C2 DT A 7 9.683 1.643 -6.993 1.00 0.00 C ATOM 208 O2 DT A 7 10.651 1.733 -6.257 1.00 0.00 O ATOM 209 N3 DT A 7 9.525 2.449 -8.087 1.00 0.00 N ATOM 210 C4 DT A 7 8.483 2.437 -8.987 1.00 0.00 C ATOM 211 O4 DT A 7 8.484 3.223 -9.930 1.00 0.00 O ATOM 212 C5 DT A 7 7.450 1.463 -8.722 1.00 0.00 C ATOM 213 C7 DT A 7 6.317 1.335 -9.692 1.00 0.00 C ATOM 214 C6 DT A 7 7.580 0.673 -7.645 1.00 0.00 C ATOM 0 H5' DT A 7 8.962 -3.659 -6.841 1.00 0.00 H new ATOM 0 H5'' DT A 7 10.453 -3.954 -5.969 1.00 0.00 H new ATOM 0 H4' DT A 7 9.938 -2.458 -4.296 1.00 0.00 H new ATOM 0 H3' DT A 7 7.096 -2.819 -4.917 1.00 0.00 H new ATOM 0 H2' DT A 7 6.703 -0.684 -5.733 1.00 0.00 H new ATOM 0 H2'' DT A 7 7.205 -0.073 -4.169 1.00 0.00 H new ATOM 0 H1' DT A 7 9.307 0.431 -4.868 1.00 0.00 H new ATOM 0 H3 DT A 7 10.261 3.135 -8.255 1.00 0.00 H new ATOM 0 H71 DT A 7 5.950 0.309 -9.689 1.00 0.00 H new ATOM 0 H72 DT A 7 5.511 2.009 -9.402 1.00 0.00 H new ATOM 0 H73 DT A 7 6.664 1.594 -10.693 1.00 0.00 H new ATOM 0 H6 DT A 7 6.799 -0.042 -7.433 1.00 0.00 H new ATOM 227 P DG A 8 8.671 -1.236 -2.184 1.00 0.00 P ATOM 228 OP1 DG A 8 9.352 -0.197 -2.987 1.00 0.00 O ATOM 229 OP2 DG A 8 9.472 -2.085 -1.268 1.00 0.00 O ATOM 230 O5' DG A 8 7.542 -0.515 -1.323 1.00 0.00 O ATOM 231 C5' DG A 8 7.868 0.274 -0.178 1.00 0.00 C ATOM 232 C4' DG A 8 7.660 -0.527 1.087 1.00 0.00 C ATOM 233 O4' DG A 8 6.699 -1.582 0.837 1.00 0.00 O ATOM 234 C3' DG A 8 8.925 -1.217 1.613 1.00 0.00 C ATOM 235 O3' DG A 8 9.185 -0.828 2.965 1.00 0.00 O ATOM 236 C2' DG A 8 8.608 -2.701 1.546 1.00 0.00 C ATOM 237 C1' DG A 8 7.090 -2.708 1.587 1.00 0.00 C ATOM 238 N9 DG A 8 6.518 -3.898 0.971 1.00 0.00 N ATOM 239 C8 DG A 8 6.722 -4.326 -0.315 1.00 0.00 C ATOM 240 N7 DG A 8 6.131 -5.458 -0.579 1.00 0.00 N ATOM 241 C5 DG A 8 5.480 -5.789 0.603 1.00 0.00 C ATOM 242 C6 DG A 8 4.669 -6.909 0.928 1.00 0.00 C ATOM 243 O6 DG A 8 4.356 -7.869 0.213 1.00 0.00 O ATOM 244 N1 DG A 8 4.208 -6.844 2.238 1.00 0.00 N ATOM 245 C2 DG A 8 4.491 -5.835 3.124 1.00 0.00 C ATOM 246 N2 DG A 8 3.953 -5.952 4.344 1.00 0.00 N ATOM 247 N3 DG A 8 5.244 -4.787 2.836 1.00 0.00 N ATOM 248 C4 DG A 8 5.702 -4.829 1.567 1.00 0.00 C ATOM 0 H5' DG A 8 7.247 1.169 -0.156 1.00 0.00 H new ATOM 0 H5'' DG A 8 8.904 0.606 -0.240 1.00 0.00 H new ATOM 0 H4' DG A 8 7.326 0.196 1.831 1.00 0.00 H new ATOM 0 H3' DG A 8 9.809 -0.952 1.034 1.00 0.00 H new ATOM 0 H2' DG A 8 8.993 -3.159 0.634 1.00 0.00 H new ATOM 0 H2'' DG A 8 9.040 -3.248 2.384 1.00 0.00 H new ATOM 0 H1' DG A 8 6.744 -2.695 2.620 1.00 0.00 H new ATOM 0 H8 DG A 8 7.312 -3.781 -1.037 1.00 0.00 H new ATOM 0 H1 DG A 8 3.613 -7.605 2.566 1.00 0.00 H new ATOM 0 H21 DG A 8 4.126 -5.235 5.048 1.00 0.00 H new ATOM 0 H22 DG A 8 3.370 -6.758 4.569 1.00 0.00 H new ATOM 260 P DT A 9 9.669 0.671 3.284 1.00 0.00 P ATOM 261 OP1 DT A 9 10.451 1.150 2.115 1.00 0.00 O ATOM 262 OP2 DT A 9 10.288 0.679 4.633 1.00 0.00 O ATOM 263 O5' DT A 9 8.312 1.503 3.357 1.00 0.00 O ATOM 264 C5' DT A 9 8.284 2.889 3.016 1.00 0.00 C ATOM 265 C4' DT A 9 7.585 3.683 4.093 1.00 0.00 C ATOM 266 O4' DT A 9 6.399 2.991 4.540 1.00 0.00 O ATOM 267 C3' DT A 9 8.401 3.961 5.364 1.00 0.00 C ATOM 268 O3' DT A 9 8.739 5.363 5.491 1.00 0.00 O ATOM 269 C2' DT A 9 7.485 3.520 6.503 1.00 0.00 C ATOM 270 C1' DT A 9 6.133 3.476 5.830 1.00 0.00 C ATOM 271 N1 DT A 9 5.087 2.624 6.435 1.00 0.00 N ATOM 272 C2 DT A 9 3.937 3.279 6.814 1.00 0.00 C ATOM 273 O2 DT A 9 3.801 4.489 6.724 1.00 0.00 O ATOM 274 N3 DT A 9 2.951 2.473 7.303 1.00 0.00 N ATOM 275 C4 DT A 9 2.981 1.106 7.431 1.00 0.00 C ATOM 276 O4 DT A 9 2.005 0.516 7.884 1.00 0.00 O ATOM 277 C5 DT A 9 4.211 0.467 7.017 1.00 0.00 C ATOM 278 C7 DT A 9 4.196 -1.018 6.831 1.00 0.00 C ATOM 279 C6 DT A 9 5.222 1.252 6.587 1.00 0.00 C ATOM 0 H5' DT A 9 7.771 3.025 2.064 1.00 0.00 H new ATOM 0 H5'' DT A 9 9.301 3.258 2.886 1.00 0.00 H new ATOM 0 H4' DT A 9 7.385 4.636 3.603 1.00 0.00 H new ATOM 0 H3' DT A 9 9.354 3.432 5.357 1.00 0.00 H new ATOM 0 H2' DT A 9 7.772 2.547 6.903 1.00 0.00 H new ATOM 0 H2'' DT A 9 7.503 4.224 7.335 1.00 0.00 H new ATOM 0 H1' DT A 9 5.710 4.478 5.902 1.00 0.00 H new ATOM 0 H3 DT A 9 2.096 2.938 7.608 1.00 0.00 H new ATOM 0 H71 DT A 9 4.919 -1.296 6.064 1.00 0.00 H new ATOM 0 H72 DT A 9 4.458 -1.505 7.770 1.00 0.00 H new ATOM 0 H73 DT A 9 3.200 -1.336 6.523 1.00 0.00 H new ATOM 0 H6 DT A 9 6.172 0.794 6.353 1.00 0.00 H new ATOM 292 P DG A 10 7.839 6.508 4.779 1.00 0.00 P ATOM 293 OP1 DG A 10 8.542 7.797 5.008 1.00 0.00 O ATOM 294 OP2 DG A 10 6.428 6.360 5.213 1.00 0.00 O ATOM 295 O5' DG A 10 7.930 6.183 3.216 1.00 0.00 O ATOM 296 C5' DG A 10 6.765 6.197 2.372 1.00 0.00 C ATOM 297 C4' DG A 10 7.151 6.523 0.950 1.00 0.00 C ATOM 298 O4' DG A 10 7.188 5.289 0.203 1.00 0.00 O ATOM 299 C3' DG A 10 6.158 7.415 0.211 1.00 0.00 C ATOM 300 O3' DG A 10 6.828 8.202 -0.797 1.00 0.00 O ATOM 301 C2' DG A 10 5.179 6.409 -0.370 1.00 0.00 C ATOM 302 C1' DG A 10 6.063 5.202 -0.660 1.00 0.00 C ATOM 303 N9 DG A 10 5.443 3.901 -0.441 1.00 0.00 N ATOM 304 C8 DG A 10 5.670 2.777 -1.184 1.00 0.00 C ATOM 305 N7 DG A 10 4.987 1.742 -0.781 1.00 0.00 N ATOM 306 C5 DG A 10 4.267 2.212 0.305 1.00 0.00 C ATOM 307 C6 DG A 10 3.352 1.548 1.159 1.00 0.00 C ATOM 308 O6 DG A 10 2.963 0.377 1.127 1.00 0.00 O ATOM 309 N1 DG A 10 2.867 2.392 2.136 1.00 0.00 N ATOM 310 C2 DG A 10 3.196 3.716 2.279 1.00 0.00 C ATOM 311 N2 DG A 10 2.610 4.366 3.290 1.00 0.00 N ATOM 312 N3 DG A 10 4.039 4.356 1.488 1.00 0.00 N ATOM 313 C4 DG A 10 4.537 3.547 0.530 1.00 0.00 C ATOM 0 H5' DG A 10 6.050 6.933 2.740 1.00 0.00 H new ATOM 0 H5'' DG A 10 6.270 5.227 2.408 1.00 0.00 H new ATOM 0 H4' DG A 10 8.103 7.049 1.015 1.00 0.00 H new ATOM 0 H3' DG A 10 5.662 8.155 0.840 1.00 0.00 H new ATOM 0 H2' DG A 10 4.383 6.167 0.334 1.00 0.00 H new ATOM 0 H2'' DG A 10 4.701 6.786 -1.274 1.00 0.00 H new ATOM 0 H1' DG A 10 6.302 5.246 -1.723 1.00 0.00 H new ATOM 0 H8 DG A 10 6.349 2.749 -2.023 1.00 0.00 H new ATOM 0 H1 DG A 10 2.209 1.999 2.809 1.00 0.00 H new ATOM 0 H21 DG A 10 2.814 5.353 3.448 1.00 0.00 H new ATOM 0 H22 DG A 10 1.959 3.875 3.903 1.00 0.00 H new ATOM 325 P DG A 11 7.500 7.498 -2.085 1.00 0.00 P ATOM 326 OP1 DG A 11 8.341 6.360 -1.643 1.00 0.00 O ATOM 327 OP2 DG A 11 8.116 8.581 -2.893 1.00 0.00 O ATOM 328 O5' DG A 11 6.259 6.937 -2.913 1.00 0.00 O ATOM 329 C5' DG A 11 5.270 7.827 -3.437 1.00 0.00 C ATOM 330 C4' DG A 11 4.283 7.075 -4.298 1.00 0.00 C ATOM 331 O4' DG A 11 3.782 5.931 -3.570 1.00 0.00 O ATOM 332 C3' DG A 11 3.051 7.892 -4.699 1.00 0.00 C ATOM 333 O3' DG A 11 3.056 8.145 -6.108 1.00 0.00 O ATOM 334 C2' DG A 11 1.862 7.016 -4.329 1.00 0.00 C ATOM 335 C1' DG A 11 2.468 5.667 -4.008 1.00 0.00 C ATOM 336 N9 DG A 11 1.774 4.937 -2.951 1.00 0.00 N ATOM 337 C8 DG A 11 1.310 5.454 -1.768 1.00 0.00 C ATOM 338 N7 DG A 11 0.702 4.573 -1.022 1.00 0.00 N ATOM 339 C5 DG A 11 0.787 3.392 -1.748 1.00 0.00 C ATOM 340 C6 DG A 11 0.318 2.086 -1.440 1.00 0.00 C ATOM 341 O6 DG A 11 -0.272 1.695 -0.425 1.00 0.00 O ATOM 342 N1 DG A 11 0.603 1.188 -2.462 1.00 0.00 N ATOM 343 C2 DG A 11 1.269 1.500 -3.622 1.00 0.00 C ATOM 344 N2 DG A 11 1.456 0.497 -4.484 1.00 0.00 N ATOM 345 N3 DG A 11 1.720 2.708 -3.917 1.00 0.00 N ATOM 346 C4 DG A 11 1.444 3.600 -2.944 1.00 0.00 C ATOM 0 H5' DG A 11 5.751 8.609 -4.024 1.00 0.00 H new ATOM 0 H5'' DG A 11 4.746 8.320 -2.618 1.00 0.00 H new ATOM 0 H4' DG A 11 4.835 6.809 -5.199 1.00 0.00 H new ATOM 0 H3' DG A 11 3.023 8.861 -4.201 1.00 0.00 H new ATOM 0 H2' DG A 11 1.322 7.422 -3.474 1.00 0.00 H new ATOM 0 H2'' DG A 11 1.150 6.945 -5.152 1.00 0.00 H new ATOM 0 H1' DG A 11 2.407 5.041 -4.898 1.00 0.00 H new ATOM 0 H8 DG A 11 1.436 6.488 -1.482 1.00 0.00 H new ATOM 0 H1 DG A 11 0.294 0.223 -2.341 1.00 0.00 H new ATOM 0 H21 DG A 11 1.944 0.665 -5.364 1.00 0.00 H new ATOM 0 H22 DG A 11 1.111 -0.437 -4.262 1.00 0.00 H new ATOM 358 P DT A 12 2.242 9.402 -6.695 1.00 0.00 P ATOM 359 OP1 DT A 12 1.353 8.917 -7.781 1.00 0.00 O ATOM 360 OP2 DT A 12 3.231 10.472 -6.980 1.00 0.00 O ATOM 361 O5' DT A 12 1.336 9.881 -5.475 1.00 0.00 O ATOM 362 C5' DT A 12 0.170 10.680 -5.690 1.00 0.00 C ATOM 363 C4' DT A 12 -0.756 10.587 -4.499 1.00 0.00 C ATOM 364 O4' DT A 12 -2.108 10.395 -4.979 1.00 0.00 O ATOM 365 C3' DT A 12 -0.493 9.416 -3.554 1.00 0.00 C ATOM 366 O3' DT A 12 -0.896 9.751 -2.219 1.00 0.00 O ATOM 367 C2' DT A 12 -1.368 8.320 -4.129 1.00 0.00 C ATOM 368 C1' DT A 12 -2.574 9.096 -4.634 1.00 0.00 C ATOM 369 N1 DT A 12 -3.224 8.520 -5.827 1.00 0.00 N ATOM 370 C2 DT A 12 -4.593 8.621 -5.925 1.00 0.00 C ATOM 371 O2 DT A 12 -5.286 9.147 -5.071 1.00 0.00 O ATOM 372 N3 DT A 12 -5.126 8.081 -7.064 1.00 0.00 N ATOM 373 C4 DT A 12 -4.446 7.462 -8.090 1.00 0.00 C ATOM 374 O4 DT A 12 -5.064 7.031 -9.059 1.00 0.00 O ATOM 375 C5 DT A 12 -3.013 7.385 -7.921 1.00 0.00 C ATOM 376 C7 DT A 12 -2.191 6.744 -8.994 1.00 0.00 C ATOM 377 C6 DT A 12 -2.474 7.908 -6.811 1.00 0.00 C ATOM 0 H5' DT A 12 -0.348 10.345 -6.589 1.00 0.00 H new ATOM 0 H5'' DT A 12 0.458 11.718 -5.856 1.00 0.00 H new ATOM 0 H4' DT A 12 -0.591 11.512 -3.946 1.00 0.00 H new ATOM 0 H3' DT A 12 0.558 9.134 -3.486 1.00 0.00 H new ATOM 0 H2' DT A 12 -0.867 7.780 -4.932 1.00 0.00 H new ATOM 0 H2'' DT A 12 -1.645 7.584 -3.375 1.00 0.00 H new ATOM 0 H1' DT A 12 -3.323 9.082 -3.842 1.00 0.00 H new ATOM 0 H3 DT A 12 -6.139 8.144 -7.164 1.00 0.00 H new ATOM 0 H71 DT A 12 -1.201 7.200 -9.015 1.00 0.00 H new ATOM 0 H72 DT A 12 -2.095 5.677 -8.790 1.00 0.00 H new ATOM 0 H73 DT A 12 -2.677 6.887 -9.959 1.00 0.00 H new ATOM 0 H6 DT A 12 -1.404 7.848 -6.680 1.00 0.00 H new ATOM 390 P DT A 13 -0.635 8.709 -1.021 1.00 0.00 P ATOM 391 OP1 DT A 13 -1.669 8.954 0.016 1.00 0.00 O ATOM 392 OP2 DT A 13 0.803 8.768 -0.653 1.00 0.00 O ATOM 393 O5' DT A 13 -0.915 7.287 -1.686 1.00 0.00 O ATOM 394 C5' DT A 13 -1.887 6.394 -1.141 1.00 0.00 C ATOM 395 C4' DT A 13 -3.238 6.644 -1.767 1.00 0.00 C ATOM 396 O4' DT A 13 -3.284 6.008 -3.069 1.00 0.00 O ATOM 397 C3' DT A 13 -4.416 6.073 -0.972 1.00 0.00 C ATOM 398 O3' DT A 13 -5.469 7.040 -0.886 1.00 0.00 O ATOM 399 C2' DT A 13 -4.855 4.871 -1.788 1.00 0.00 C ATOM 400 C1' DT A 13 -4.507 5.313 -3.195 1.00 0.00 C ATOM 401 N1 DT A 13 -4.318 4.217 -4.166 1.00 0.00 N ATOM 402 C2 DT A 13 -5.171 4.159 -5.246 1.00 0.00 C ATOM 403 O2 DT A 13 -6.062 4.969 -5.435 1.00 0.00 O ATOM 404 N3 DT A 13 -4.942 3.114 -6.100 1.00 0.00 N ATOM 405 C4 DT A 13 -3.971 2.143 -5.988 1.00 0.00 C ATOM 406 O4 DT A 13 -3.884 1.266 -6.840 1.00 0.00 O ATOM 407 C5 DT A 13 -3.111 2.262 -4.832 1.00 0.00 C ATOM 408 C7 DT A 13 -2.051 1.229 -4.610 1.00 0.00 C ATOM 409 C6 DT A 13 -3.318 3.282 -3.988 1.00 0.00 C ATOM 0 H5' DT A 13 -1.949 6.528 -0.061 1.00 0.00 H new ATOM 0 H5'' DT A 13 -1.582 5.362 -1.317 1.00 0.00 H new ATOM 0 H4' DT A 13 -3.342 7.728 -1.807 1.00 0.00 H new ATOM 0 H3' DT A 13 -4.154 5.810 0.053 1.00 0.00 H new ATOM 0 H2' DT A 13 -4.323 3.964 -1.500 1.00 0.00 H new ATOM 0 H2'' DT A 13 -5.919 4.666 -1.675 1.00 0.00 H new ATOM 0 H1' DT A 13 -5.337 5.902 -3.586 1.00 0.00 H new ATOM 0 H3 DT A 13 -5.559 3.047 -6.909 1.00 0.00 H new ATOM 0 H71 DT A 13 -2.381 0.275 -5.021 1.00 0.00 H new ATOM 0 H72 DT A 13 -1.131 1.539 -5.106 1.00 0.00 H new ATOM 0 H73 DT A 13 -1.868 1.120 -3.541 1.00 0.00 H new ATOM 0 H6 DT A 13 -2.672 3.377 -3.128 1.00 0.00 H new ATOM 422 P DG A 14 -5.528 8.046 0.368 1.00 0.00 P ATOM 423 OP1 DG A 14 -6.961 8.254 0.695 1.00 0.00 O ATOM 424 OP2 DG A 14 -4.669 9.219 0.063 1.00 0.00 O ATOM 425 O5' DG A 14 -4.867 7.216 1.559 1.00 0.00 O ATOM 426 C5' DG A 14 -3.953 7.827 2.475 1.00 0.00 C ATOM 427 C4' DG A 14 -4.530 7.820 3.873 1.00 0.00 C ATOM 428 O4' DG A 14 -5.059 6.506 4.166 1.00 0.00 O ATOM 429 C3' DG A 14 -3.528 8.105 4.988 1.00 0.00 C ATOM 430 O3' DG A 14 -4.187 8.733 6.094 1.00 0.00 O ATOM 431 C2' DG A 14 -3.029 6.721 5.363 1.00 0.00 C ATOM 432 C1' DG A 14 -4.218 5.820 5.086 1.00 0.00 C ATOM 433 N9 DG A 14 -3.869 4.535 4.493 1.00 0.00 N ATOM 434 C8 DG A 14 -4.388 3.309 4.817 1.00 0.00 C ATOM 435 N7 DG A 14 -3.928 2.340 4.073 1.00 0.00 N ATOM 436 C5 DG A 14 -3.029 2.966 3.219 1.00 0.00 C ATOM 437 C6 DG A 14 -2.215 2.437 2.179 1.00 0.00 C ATOM 438 O6 DG A 14 -2.098 1.258 1.804 1.00 0.00 O ATOM 439 N1 DG A 14 -1.472 3.434 1.560 1.00 0.00 N ATOM 440 C2 DG A 14 -1.459 4.754 1.929 1.00 0.00 C ATOM 441 N2 DG A 14 -0.596 5.539 1.278 1.00 0.00 N ATOM 442 N3 DG A 14 -2.217 5.262 2.880 1.00 0.00 N ATOM 443 C4 DG A 14 -2.973 4.320 3.477 1.00 0.00 C ATOM 0 H5' DG A 14 -3.746 8.851 2.164 1.00 0.00 H new ATOM 0 H5'' DG A 14 -3.003 7.292 2.463 1.00 0.00 H new ATOM 0 H4' DG A 14 -5.276 8.615 3.863 1.00 0.00 H new ATOM 0 H3' DG A 14 -2.723 8.779 4.694 1.00 0.00 H new ATOM 0 H2' DG A 14 -2.162 6.434 4.768 1.00 0.00 H new ATOM 0 H2'' DG A 14 -2.727 6.675 6.409 1.00 0.00 H new ATOM 0 H1' DG A 14 -4.693 5.606 6.044 1.00 0.00 H new ATOM 0 H8 DG A 14 -5.106 3.159 5.609 1.00 0.00 H new ATOM 0 H1 DG A 14 -0.890 3.162 0.768 1.00 0.00 H new ATOM 0 H21 DG A 14 -0.537 6.532 1.506 1.00 0.00 H new ATOM 0 H22 DG A 14 0.004 5.146 0.553 1.00 0.00 H new ATOM 455 P DG A 15 -3.344 9.139 7.401 1.00 0.00 P ATOM 456 OP1 DG A 15 -4.147 10.120 8.176 1.00 0.00 O ATOM 457 OP2 DG A 15 -1.973 9.502 6.960 1.00 0.00 O ATOM 458 O5' DG A 15 -3.270 7.787 8.241 1.00 0.00 O ATOM 459 C5' DG A 15 -2.017 7.252 8.672 1.00 0.00 C ATOM 460 C4' DG A 15 -2.196 5.824 9.133 1.00 0.00 C ATOM 461 O4' DG A 15 -1.992 4.939 8.004 1.00 0.00 O ATOM 462 C3' DG A 15 -1.210 5.368 10.215 1.00 0.00 C ATOM 463 O3' DG A 15 -1.891 4.647 11.244 1.00 0.00 O ATOM 464 C2' DG A 15 -0.255 4.447 9.474 1.00 0.00 C ATOM 465 C1' DG A 15 -1.146 3.876 8.394 1.00 0.00 C ATOM 466 N9 DG A 15 -0.453 3.391 7.205 1.00 0.00 N ATOM 467 C8 DG A 15 0.320 4.117 6.331 1.00 0.00 C ATOM 468 N7 DG A 15 0.809 3.397 5.357 1.00 0.00 N ATOM 469 C5 DG A 15 0.322 2.119 5.600 1.00 0.00 C ATOM 470 C6 DG A 15 0.506 0.906 4.880 1.00 0.00 C ATOM 471 O6 DG A 15 1.148 0.711 3.837 1.00 0.00 O ATOM 472 N1 DG A 15 -0.160 -0.151 5.487 1.00 0.00 N ATOM 473 C2 DG A 15 -0.915 -0.059 6.628 1.00 0.00 C ATOM 474 N2 DG A 15 -1.488 -1.192 7.050 1.00 0.00 N ATOM 475 N3 DG A 15 -1.100 1.058 7.303 1.00 0.00 N ATOM 476 C4 DG A 15 -0.456 2.100 6.739 1.00 0.00 C ATOM 0 H5' DG A 15 -1.614 7.857 9.484 1.00 0.00 H new ATOM 0 H5'' DG A 15 -1.295 7.292 7.856 1.00 0.00 H new ATOM 0 H4' DG A 15 -3.200 5.783 9.554 1.00 0.00 H new ATOM 0 H3' DG A 15 -0.706 6.203 10.701 1.00 0.00 H new ATOM 0 H2' DG A 15 0.595 4.989 9.058 1.00 0.00 H new ATOM 0 H2'' DG A 15 0.149 3.670 10.123 1.00 0.00 H new ATOM 0 HO3' DG A 15 -1.247 4.362 11.925 1.00 0.00 H new ATOM 0 H1' DG A 15 -1.655 3.004 8.806 1.00 0.00 H new ATOM 0 H8 DG A 15 0.505 5.176 6.439 1.00 0.00 H new ATOM 0 H1 DG A 15 -0.081 -1.069 5.049 1.00 0.00 H new ATOM 0 H21 DG A 15 -2.062 -1.190 7.893 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.350 -2.058 6.529 1.00 0.00 H new TER 489 DG A 15