USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 127 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 64:sc= 1.3 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.71! (180deg=-1.71!) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.0138 (180deg=-0.0138) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -7.079 -0.606 -1.141 1.00 0.00 O ATOM 2 C5' DG A 1 -8.197 -1.383 -0.744 1.00 0.00 C ATOM 3 C4' DG A 1 -8.778 -1.002 0.632 1.00 0.00 C ATOM 4 O4' DG A 1 -7.849 -1.310 1.665 1.00 0.00 O ATOM 5 C3' DG A 1 -9.154 0.486 0.762 1.00 0.00 C ATOM 6 O3' DG A 1 -10.360 0.632 1.511 1.00 0.00 O ATOM 7 C2' DG A 1 -7.970 1.047 1.522 1.00 0.00 C ATOM 8 C1' DG A 1 -7.597 -0.127 2.412 1.00 0.00 C ATOM 9 N9 DG A 1 -6.187 -0.029 2.832 1.00 0.00 N ATOM 10 C8 DG A 1 -5.721 0.095 4.114 1.00 0.00 C ATOM 11 N7 DG A 1 -4.416 0.134 4.207 1.00 0.00 N ATOM 12 C5 DG A 1 -3.989 0.026 2.870 1.00 0.00 C ATOM 13 C6 DG A 1 -2.679 0.006 2.272 1.00 0.00 C ATOM 14 O6 DG A 1 -1.577 0.077 2.815 1.00 0.00 O ATOM 15 N1 DG A 1 -2.693 -0.113 0.896 1.00 0.00 N ATOM 16 C2 DG A 1 -3.822 -0.206 0.157 1.00 0.00 C ATOM 17 N2 DG A 1 -3.713 -0.314 -1.140 1.00 0.00 N ATOM 18 N3 DG A 1 -5.049 -0.193 0.661 1.00 0.00 N ATOM 19 C4 DG A 1 -5.072 -0.074 2.025 1.00 0.00 C ATOM 0 H5' DG A 1 -7.906 -2.433 -0.724 1.00 0.00 H new ATOM 0 H5'' DG A 1 -8.980 -1.283 -1.496 1.00 0.00 H new ATOM 0 H4' DG A 1 -9.693 -1.587 0.728 1.00 0.00 H new ATOM 0 H3' DG A 1 -9.337 0.985 -0.190 1.00 0.00 H new ATOM 0 H2' DG A 1 -7.155 1.333 0.858 1.00 0.00 H new ATOM 0 H2'' DG A 1 -8.236 1.932 2.100 1.00 0.00 H new ATOM 0 HO5' DG A 1 -6.337 -0.760 -0.520 1.00 0.00 H new ATOM 0 H1' DG A 1 -8.188 -0.135 3.328 1.00 0.00 H new ATOM 0 H8 DG A 1 -6.373 0.155 4.973 1.00 0.00 H new ATOM 0 H1 DG A 1 -1.798 -0.132 0.408 1.00 0.00 H new ATOM 0 H21 DG A 1 -4.550 -0.386 -1.718 1.00 0.00 H new ATOM 0 H22 DG A 1 -2.790 -0.327 -1.575 1.00 0.00 H new ATOM 32 P DG A 2 -11.204 1.998 1.472 1.00 0.00 P ATOM 33 OP1 DG A 2 -12.478 1.754 2.186 1.00 0.00 O ATOM 34 OP2 DG A 2 -11.244 2.489 0.091 1.00 0.00 O ATOM 35 O5' DG A 2 -10.364 3.032 2.358 1.00 0.00 O ATOM 36 C5' DG A 2 -10.247 2.910 3.772 1.00 0.00 C ATOM 37 C4' DG A 2 -9.444 4.054 4.425 1.00 0.00 C ATOM 38 O4' DG A 2 -8.097 3.600 4.542 1.00 0.00 O ATOM 39 C3' DG A 2 -9.455 5.373 3.613 1.00 0.00 C ATOM 40 O3' DG A 2 -9.635 6.602 4.332 1.00 0.00 O ATOM 41 C2' DG A 2 -8.124 5.273 2.883 1.00 0.00 C ATOM 42 C1' DG A 2 -7.257 4.545 3.907 1.00 0.00 C ATOM 43 N9 DG A 2 -6.030 3.957 3.337 1.00 0.00 N ATOM 44 C8 DG A 2 -5.782 3.492 2.069 1.00 0.00 C ATOM 45 N7 DG A 2 -4.522 3.271 1.817 1.00 0.00 N ATOM 46 C5 DG A 2 -3.887 3.618 3.012 1.00 0.00 C ATOM 47 C6 DG A 2 -2.506 3.609 3.394 1.00 0.00 C ATOM 48 O6 DG A 2 -1.540 3.272 2.715 1.00 0.00 O ATOM 49 N1 DG A 2 -2.278 4.039 4.692 1.00 0.00 N ATOM 50 C2 DG A 2 -3.269 4.432 5.528 1.00 0.00 C ATOM 51 N2 DG A 2 -2.965 4.823 6.737 1.00 0.00 N ATOM 52 N3 DG A 2 -4.558 4.455 5.218 1.00 0.00 N ATOM 53 C4 DG A 2 -4.803 4.037 3.942 1.00 0.00 C ATOM 0 H5' DG A 2 -9.768 1.960 4.008 1.00 0.00 H new ATOM 0 H5'' DG A 2 -11.245 2.881 4.210 1.00 0.00 H new ATOM 0 H4' DG A 2 -9.906 4.285 5.385 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.337 5.444 2.977 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.210 4.715 1.951 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.722 6.254 2.631 1.00 0.00 H new ATOM 0 H1' DG A 2 -6.861 5.252 4.636 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.564 3.324 1.343 1.00 0.00 H new ATOM 0 H1 DG A 2 -1.317 4.061 5.034 1.00 0.00 H new ATOM 0 H21 DG A 2 -3.701 5.121 7.377 1.00 0.00 H new ATOM 0 H22 DG A 2 -1.991 4.830 7.041 1.00 0.00 H new ATOM 65 P DT A 3 -8.642 7.211 5.440 1.00 0.00 P ATOM 66 OP1 DT A 3 -8.288 6.160 6.413 1.00 0.00 O ATOM 67 OP2 DT A 3 -9.278 8.445 5.946 1.00 0.00 O ATOM 68 O5' DT A 3 -7.306 7.607 4.640 1.00 0.00 O ATOM 69 C5' DT A 3 -7.271 8.639 3.667 1.00 0.00 C ATOM 70 C4' DT A 3 -5.879 8.886 3.044 1.00 0.00 C ATOM 71 O4' DT A 3 -5.113 9.738 3.887 1.00 0.00 O ATOM 72 C3' DT A 3 -4.977 7.692 2.706 1.00 0.00 C ATOM 73 O3' DT A 3 -4.155 8.015 1.591 1.00 0.00 O ATOM 74 C2' DT A 3 -4.108 7.562 3.943 1.00 0.00 C ATOM 75 C1' DT A 3 -3.993 9.019 4.392 1.00 0.00 C ATOM 76 N1 DT A 3 -3.947 9.157 5.871 1.00 0.00 N ATOM 77 C2 DT A 3 -2.874 9.857 6.436 1.00 0.00 C ATOM 78 O2 DT A 3 -1.889 10.246 5.810 1.00 0.00 O ATOM 79 N3 DT A 3 -2.949 10.126 7.783 1.00 0.00 N ATOM 80 C4 DT A 3 -3.985 9.766 8.613 1.00 0.00 C ATOM 81 O4 DT A 3 -4.014 10.231 9.747 1.00 0.00 O ATOM 82 C5 DT A 3 -5.010 8.926 7.996 1.00 0.00 C ATOM 83 C7 DT A 3 -6.181 8.404 8.817 1.00 0.00 C ATOM 84 C6 DT A 3 -4.971 8.671 6.662 1.00 0.00 C ATOM 0 H5' DT A 3 -7.619 9.565 4.125 1.00 0.00 H new ATOM 0 H5'' DT A 3 -7.973 8.394 2.870 1.00 0.00 H new ATOM 0 H4' DT A 3 -6.160 9.308 2.079 1.00 0.00 H new ATOM 0 H3' DT A 3 -5.531 6.787 2.458 1.00 0.00 H new ATOM 0 H2' DT A 3 -4.570 6.934 4.704 1.00 0.00 H new ATOM 0 H2'' DT A 3 -3.135 7.125 3.717 1.00 0.00 H new ATOM 0 H1' DT A 3 -3.057 9.419 4.001 1.00 0.00 H new ATOM 0 H3 DT A 3 -2.171 10.635 8.202 1.00 0.00 H new ATOM 0 H71 DT A 3 -7.052 8.285 8.173 1.00 0.00 H new ATOM 0 H72 DT A 3 -5.918 7.441 9.254 1.00 0.00 H new ATOM 0 H73 DT A 3 -6.412 9.112 9.613 1.00 0.00 H new ATOM 0 H6 DT A 3 -5.754 8.078 6.212 1.00 0.00 H new ATOM 97 P DT A 4 -3.487 6.857 0.715 1.00 0.00 P ATOM 98 OP1 DT A 4 -4.589 6.110 0.088 1.00 0.00 O ATOM 99 OP2 DT A 4 -2.505 6.136 1.553 1.00 0.00 O ATOM 100 O5' DT A 4 -2.659 7.640 -0.419 1.00 0.00 O ATOM 101 C5' DT A 4 -1.876 6.899 -1.344 1.00 0.00 C ATOM 102 C4' DT A 4 -1.605 7.568 -2.694 1.00 0.00 C ATOM 103 O4' DT A 4 -2.878 7.921 -3.224 1.00 0.00 O ATOM 104 C3' DT A 4 -0.738 8.832 -2.639 1.00 0.00 C ATOM 105 O3' DT A 4 0.244 8.992 -3.674 1.00 0.00 O ATOM 106 C2' DT A 4 -1.753 9.955 -2.577 1.00 0.00 C ATOM 107 C1' DT A 4 -2.997 9.332 -3.228 1.00 0.00 C ATOM 108 N1 DT A 4 -4.293 9.878 -2.714 1.00 0.00 N ATOM 109 C2 DT A 4 -5.200 10.392 -3.660 1.00 0.00 C ATOM 110 O2 DT A 4 -5.052 10.307 -4.882 1.00 0.00 O ATOM 111 N3 DT A 4 -6.295 11.078 -3.177 1.00 0.00 N ATOM 112 C4 DT A 4 -6.536 11.365 -1.855 1.00 0.00 C ATOM 113 O4 DT A 4 -7.588 11.917 -1.539 1.00 0.00 O ATOM 114 C5 DT A 4 -5.500 10.921 -0.933 1.00 0.00 C ATOM 115 C7 DT A 4 -5.556 11.346 0.522 1.00 0.00 C ATOM 116 C6 DT A 4 -4.466 10.155 -1.369 1.00 0.00 C ATOM 0 H5' DT A 4 -2.374 5.947 -1.528 1.00 0.00 H new ATOM 0 H5'' DT A 4 -0.918 6.672 -0.876 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.041 6.860 -3.302 1.00 0.00 H new ATOM 0 H3' DT A 4 -0.073 8.798 -1.776 1.00 0.00 H new ATOM 0 H2' DT A 4 -1.948 10.267 -1.551 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.413 10.837 -3.119 1.00 0.00 H new ATOM 0 H1' DT A 4 -3.035 9.639 -4.273 1.00 0.00 H new ATOM 0 H3 DT A 4 -6.983 11.399 -3.858 1.00 0.00 H new ATOM 0 H71 DT A 4 -5.100 10.576 1.144 1.00 0.00 H new ATOM 0 H72 DT A 4 -5.014 12.283 0.648 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.595 11.485 0.821 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.765 9.754 -0.652 1.00 0.00 H new ATOM 129 P DG A 5 0.017 9.100 -5.271 1.00 0.00 P ATOM 130 OP1 DG A 5 1.303 9.567 -5.837 1.00 0.00 O ATOM 131 OP2 DG A 5 -1.175 9.896 -5.618 1.00 0.00 O ATOM 132 O5' DG A 5 -0.151 7.630 -5.867 1.00 0.00 O ATOM 133 C5' DG A 5 -1.409 7.005 -6.112 1.00 0.00 C ATOM 134 C4' DG A 5 -1.152 5.597 -6.656 1.00 0.00 C ATOM 135 O4' DG A 5 -0.204 4.950 -5.812 1.00 0.00 O ATOM 136 C3' DG A 5 -2.392 4.694 -6.758 1.00 0.00 C ATOM 137 O3' DG A 5 -2.348 4.085 -8.038 1.00 0.00 O ATOM 138 C2' DG A 5 -2.203 3.815 -5.526 1.00 0.00 C ATOM 139 C1' DG A 5 -0.692 3.708 -5.340 1.00 0.00 C ATOM 140 N9 DG A 5 -0.187 3.519 -3.944 1.00 0.00 N ATOM 141 C8 DG A 5 1.136 3.627 -3.592 1.00 0.00 C ATOM 142 N7 DG A 5 1.371 3.731 -2.312 1.00 0.00 N ATOM 143 C5 DG A 5 0.090 3.689 -1.755 1.00 0.00 C ATOM 144 C6 DG A 5 -0.330 3.759 -0.384 1.00 0.00 C ATOM 145 O6 DG A 5 0.395 3.870 0.607 1.00 0.00 O ATOM 146 N1 DG A 5 -1.703 3.686 -0.214 1.00 0.00 N ATOM 147 C2 DG A 5 -2.566 3.558 -1.250 1.00 0.00 C ATOM 148 N2 DG A 5 -3.835 3.498 -0.993 1.00 0.00 N ATOM 149 N3 DG A 5 -2.216 3.490 -2.526 1.00 0.00 N ATOM 150 C4 DG A 5 -0.868 3.560 -2.736 1.00 0.00 C ATOM 0 H5' DG A 5 -1.989 7.588 -6.828 1.00 0.00 H new ATOM 0 H5'' DG A 5 -1.993 6.956 -5.193 1.00 0.00 H new ATOM 0 H4' DG A 5 -0.794 5.738 -7.676 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.391 5.129 -6.728 1.00 0.00 H new ATOM 0 H2' DG A 5 -2.677 4.257 -4.650 1.00 0.00 H new ATOM 0 H2'' DG A 5 -2.653 2.833 -5.670 1.00 0.00 H new ATOM 0 H1' DG A 5 -0.356 2.812 -5.861 1.00 0.00 H new ATOM 0 H8 DG A 5 1.929 3.626 -4.325 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.080 3.731 0.733 1.00 0.00 H new ATOM 0 H21 DG A 5 -4.506 3.402 -1.755 1.00 0.00 H new ATOM 0 H22 DG A 5 -4.163 3.547 -0.028 1.00 0.00 H new ATOM 162 P DG A 6 -3.083 2.734 -8.454 1.00 0.00 P ATOM 163 OP1 DG A 6 -3.376 2.802 -9.900 1.00 0.00 O ATOM 164 OP2 DG A 6 -4.187 2.421 -7.522 1.00 0.00 O ATOM 165 O5' DG A 6 -1.895 1.694 -8.218 1.00 0.00 O ATOM 166 C5' DG A 6 -0.643 1.877 -8.879 1.00 0.00 C ATOM 167 C4' DG A 6 0.411 0.875 -8.399 1.00 0.00 C ATOM 168 O4' DG A 6 0.651 1.048 -7.007 1.00 0.00 O ATOM 169 C3' DG A 6 -0.026 -0.578 -8.637 1.00 0.00 C ATOM 170 O3' DG A 6 0.806 -1.413 -9.444 1.00 0.00 O ATOM 171 C2' DG A 6 -0.292 -1.109 -7.234 1.00 0.00 C ATOM 172 C1' DG A 6 0.523 -0.183 -6.320 1.00 0.00 C ATOM 173 N9 DG A 6 -0.069 0.058 -4.973 1.00 0.00 N ATOM 174 C8 DG A 6 -1.376 -0.030 -4.550 1.00 0.00 C ATOM 175 N7 DG A 6 -1.544 0.079 -3.256 1.00 0.00 N ATOM 176 C5 DG A 6 -0.233 0.255 -2.784 1.00 0.00 C ATOM 177 C6 DG A 6 0.299 0.433 -1.459 1.00 0.00 C ATOM 178 O6 DG A 6 -0.285 0.480 -0.377 1.00 0.00 O ATOM 179 N1 DG A 6 1.669 0.568 -1.424 1.00 0.00 N ATOM 180 C2 DG A 6 2.463 0.542 -2.517 1.00 0.00 C ATOM 181 N2 DG A 6 3.746 0.683 -2.333 1.00 0.00 N ATOM 182 N3 DG A 6 2.023 0.381 -3.759 1.00 0.00 N ATOM 183 C4 DG A 6 0.666 0.243 -3.830 1.00 0.00 C ATOM 0 H5' DG A 6 -0.285 2.892 -8.703 1.00 0.00 H new ATOM 0 H5'' DG A 6 -0.782 1.770 -9.955 1.00 0.00 H new ATOM 0 H4' DG A 6 1.317 1.067 -8.973 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.903 -0.594 -9.284 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.354 -1.075 -6.990 1.00 0.00 H new ATOM 0 H2'' DG A 6 0.025 -2.147 -7.134 1.00 0.00 H new ATOM 0 H1' DG A 6 1.477 -0.671 -6.118 1.00 0.00 H new ATOM 0 H8 DG A 6 -2.200 -0.178 -5.233 1.00 0.00 H new ATOM 0 H1 DG A 6 2.113 0.696 -0.515 1.00 0.00 H new ATOM 0 H21 DG A 6 4.380 0.669 -3.132 1.00 0.00 H new ATOM 0 H22 DG A 6 4.115 0.807 -1.390 1.00 0.00 H new ATOM 195 P DT A 7 2.378 -1.670 -9.269 1.00 0.00 P ATOM 196 OP1 DT A 7 3.085 -0.387 -9.514 1.00 0.00 O ATOM 197 OP2 DT A 7 2.675 -2.787 -10.190 1.00 0.00 O ATOM 198 O5' DT A 7 2.684 -2.167 -7.781 1.00 0.00 O ATOM 199 C5' DT A 7 3.926 -1.846 -7.168 1.00 0.00 C ATOM 200 C4' DT A 7 4.225 -2.561 -5.846 1.00 0.00 C ATOM 201 O4' DT A 7 3.332 -2.165 -4.813 1.00 0.00 O ATOM 202 C3' DT A 7 4.238 -4.101 -5.905 1.00 0.00 C ATOM 203 O3' DT A 7 5.457 -4.770 -5.556 1.00 0.00 O ATOM 204 C2' DT A 7 3.068 -4.489 -5.015 1.00 0.00 C ATOM 205 C1' DT A 7 2.985 -3.304 -4.049 1.00 0.00 C ATOM 206 N1 DT A 7 1.664 -3.140 -3.381 1.00 0.00 N ATOM 207 C2 DT A 7 1.654 -2.908 -1.999 1.00 0.00 C ATOM 208 O2 DT A 7 2.650 -2.709 -1.316 1.00 0.00 O ATOM 209 N3 DT A 7 0.428 -2.879 -1.382 1.00 0.00 N ATOM 210 C4 DT A 7 -0.788 -3.028 -1.998 1.00 0.00 C ATOM 211 O4 DT A 7 -1.794 -2.959 -1.302 1.00 0.00 O ATOM 212 C5 DT A 7 -0.723 -3.229 -3.445 1.00 0.00 C ATOM 213 C7 DT A 7 -2.001 -3.376 -4.252 1.00 0.00 C ATOM 214 C6 DT A 7 0.479 -3.257 -4.083 1.00 0.00 C ATOM 0 H5' DT A 7 3.955 -0.771 -6.992 1.00 0.00 H new ATOM 0 H5'' DT A 7 4.726 -2.075 -7.872 1.00 0.00 H new ATOM 0 H4' DT A 7 5.244 -2.243 -5.628 1.00 0.00 H new ATOM 0 H3' DT A 7 4.152 -4.432 -6.940 1.00 0.00 H new ATOM 0 H2' DT A 7 2.147 -4.614 -5.585 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.249 -5.428 -4.492 1.00 0.00 H new ATOM 0 H1' DT A 7 3.665 -3.467 -3.213 1.00 0.00 H new ATOM 0 H3 DT A 7 0.421 -2.733 -0.372 1.00 0.00 H new ATOM 0 H71 DT A 7 -1.841 -2.994 -5.260 1.00 0.00 H new ATOM 0 H72 DT A 7 -2.280 -4.428 -4.303 1.00 0.00 H new ATOM 0 H73 DT A 7 -2.801 -2.811 -3.773 1.00 0.00 H new ATOM 0 H6 DT A 7 0.507 -3.373 -5.156 1.00 0.00 H new ATOM 227 P DG A 8 6.271 -4.630 -4.164 1.00 0.00 P ATOM 228 OP1 DG A 8 6.463 -3.199 -3.873 1.00 0.00 O ATOM 229 OP2 DG A 8 7.492 -5.448 -4.342 1.00 0.00 O ATOM 230 O5' DG A 8 5.399 -5.285 -2.983 1.00 0.00 O ATOM 231 C5' DG A 8 5.696 -4.973 -1.622 1.00 0.00 C ATOM 232 C4' DG A 8 5.130 -5.951 -0.574 1.00 0.00 C ATOM 233 O4' DG A 8 3.757 -5.680 -0.295 1.00 0.00 O ATOM 234 C3' DG A 8 5.297 -7.429 -0.972 1.00 0.00 C ATOM 235 O3' DG A 8 6.178 -8.186 -0.121 1.00 0.00 O ATOM 236 C2' DG A 8 3.848 -7.865 -1.185 1.00 0.00 C ATOM 237 C1' DG A 8 2.987 -6.865 -0.383 1.00 0.00 C ATOM 238 N9 DG A 8 1.666 -6.583 -1.033 1.00 0.00 N ATOM 239 C8 DG A 8 1.374 -6.661 -2.372 1.00 0.00 C ATOM 240 N7 DG A 8 0.105 -6.611 -2.671 1.00 0.00 N ATOM 241 C5 DG A 8 -0.496 -6.357 -1.430 1.00 0.00 C ATOM 242 C6 DG A 8 -1.874 -6.105 -1.086 1.00 0.00 C ATOM 243 O6 DG A 8 -2.895 -6.227 -1.770 1.00 0.00 O ATOM 244 N1 DG A 8 -2.044 -5.643 0.201 1.00 0.00 N ATOM 245 C2 DG A 8 -1.033 -5.534 1.096 1.00 0.00 C ATOM 246 N2 DG A 8 -1.355 -5.114 2.289 1.00 0.00 N ATOM 247 N3 DG A 8 0.244 -5.839 0.859 1.00 0.00 N ATOM 248 C4 DG A 8 0.462 -6.234 -0.439 1.00 0.00 C ATOM 0 H5' DG A 8 5.314 -3.976 -1.405 1.00 0.00 H new ATOM 0 H5'' DG A 8 6.779 -4.931 -1.506 1.00 0.00 H new ATOM 0 H4' DG A 8 5.720 -5.787 0.328 1.00 0.00 H new ATOM 0 H3' DG A 8 5.867 -7.620 -1.881 1.00 0.00 H new ATOM 0 H2' DG A 8 3.585 -7.847 -2.243 1.00 0.00 H new ATOM 0 H2'' DG A 8 3.691 -8.885 -0.835 1.00 0.00 H new ATOM 0 H1' DG A 8 2.745 -7.280 0.596 1.00 0.00 H new ATOM 0 H8 DG A 8 2.141 -6.757 -3.126 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.981 -5.368 0.496 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.636 -5.012 3.005 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.326 -4.888 2.505 1.00 0.00 H new ATOM 260 P DT A 9 5.793 -9.091 1.159 1.00 0.00 P ATOM 261 OP1 DT A 9 7.081 -9.457 1.791 1.00 0.00 O ATOM 262 OP2 DT A 9 4.889 -10.175 0.736 1.00 0.00 O ATOM 263 O5' DT A 9 5.012 -8.160 2.183 1.00 0.00 O ATOM 264 C5' DT A 9 5.686 -7.161 2.931 1.00 0.00 C ATOM 265 C4' DT A 9 4.819 -6.532 4.029 1.00 0.00 C ATOM 266 O4' DT A 9 3.473 -6.515 3.591 1.00 0.00 O ATOM 267 C3' DT A 9 4.831 -7.304 5.355 1.00 0.00 C ATOM 268 O3' DT A 9 5.001 -6.417 6.449 1.00 0.00 O ATOM 269 C2' DT A 9 3.452 -7.947 5.438 1.00 0.00 C ATOM 270 C1' DT A 9 2.597 -7.034 4.568 1.00 0.00 C ATOM 271 N1 DT A 9 1.502 -7.749 3.856 1.00 0.00 N ATOM 272 C2 DT A 9 0.177 -7.351 4.066 1.00 0.00 C ATOM 273 O2 DT A 9 -0.153 -6.433 4.815 1.00 0.00 O ATOM 274 N3 DT A 9 -0.793 -8.013 3.348 1.00 0.00 N ATOM 275 C4 DT A 9 -0.569 -8.951 2.367 1.00 0.00 C ATOM 276 O4 DT A 9 -1.529 -9.400 1.745 1.00 0.00 O ATOM 277 C5 DT A 9 0.839 -9.305 2.175 1.00 0.00 C ATOM 278 C7 DT A 9 1.252 -10.319 1.127 1.00 0.00 C ATOM 279 C6 DT A 9 1.808 -8.715 2.919 1.00 0.00 C ATOM 0 H5' DT A 9 6.026 -6.378 2.253 1.00 0.00 H new ATOM 0 H5'' DT A 9 6.576 -7.597 3.386 1.00 0.00 H new ATOM 0 H4' DT A 9 5.235 -5.540 4.206 1.00 0.00 H new ATOM 0 H3' DT A 9 5.644 -8.029 5.395 1.00 0.00 H new ATOM 0 H2' DT A 9 3.460 -8.970 5.063 1.00 0.00 H new ATOM 0 H2'' DT A 9 3.086 -7.986 6.464 1.00 0.00 H new ATOM 0 H1' DT A 9 2.125 -6.282 5.201 1.00 0.00 H new ATOM 0 H3 DT A 9 -1.764 -7.788 3.562 1.00 0.00 H new ATOM 0 H71 DT A 9 2.251 -10.079 0.763 1.00 0.00 H new ATOM 0 H72 DT A 9 1.256 -11.316 1.567 1.00 0.00 H new ATOM 0 H73 DT A 9 0.547 -10.292 0.296 1.00 0.00 H new ATOM 0 H6 DT A 9 2.838 -9.007 2.775 1.00 0.00 H new ATOM 292 P DG A 10 6.445 -5.980 6.957 1.00 0.00 P ATOM 293 OP1 DG A 10 7.311 -7.174 6.926 1.00 0.00 O ATOM 294 OP2 DG A 10 6.264 -5.309 8.261 1.00 0.00 O ATOM 295 O5' DG A 10 7.072 -4.889 5.947 1.00 0.00 O ATOM 296 C5' DG A 10 8.029 -5.254 4.949 1.00 0.00 C ATOM 297 C4' DG A 10 8.462 -4.126 3.992 1.00 0.00 C ATOM 298 O4' DG A 10 7.521 -3.845 2.950 1.00 0.00 O ATOM 299 C3' DG A 10 8.835 -2.798 4.681 1.00 0.00 C ATOM 300 O3' DG A 10 10.092 -2.322 4.195 1.00 0.00 O ATOM 301 C2' DG A 10 7.691 -1.900 4.236 1.00 0.00 C ATOM 302 C1' DG A 10 7.479 -2.433 2.826 1.00 0.00 C ATOM 303 N9 DG A 10 6.359 -1.764 2.112 1.00 0.00 N ATOM 304 C8 DG A 10 6.400 -0.437 1.762 1.00 0.00 C ATOM 305 N7 DG A 10 5.251 0.111 1.495 1.00 0.00 N ATOM 306 C5 DG A 10 4.360 -0.941 1.682 1.00 0.00 C ATOM 307 C6 DG A 10 2.935 -0.972 1.539 1.00 0.00 C ATOM 308 O6 DG A 10 2.169 -0.062 1.223 1.00 0.00 O ATOM 309 N1 DG A 10 2.379 -2.199 1.802 1.00 0.00 N ATOM 310 C2 DG A 10 3.106 -3.275 2.162 1.00 0.00 C ATOM 311 N2 DG A 10 2.415 -4.354 2.370 1.00 0.00 N ATOM 312 N3 DG A 10 4.428 -3.307 2.315 1.00 0.00 N ATOM 313 C4 DG A 10 5.016 -2.097 2.058 1.00 0.00 C ATOM 0 H5' DG A 10 7.615 -6.069 4.356 1.00 0.00 H new ATOM 0 H5'' DG A 10 8.917 -5.642 5.448 1.00 0.00 H new ATOM 0 H4' DG A 10 9.365 -4.548 3.551 1.00 0.00 H new ATOM 0 H3' DG A 10 8.950 -2.860 5.763 1.00 0.00 H new ATOM 0 H2' DG A 10 6.805 -2.010 4.862 1.00 0.00 H new ATOM 0 H2'' DG A 10 7.960 -0.844 4.247 1.00 0.00 H new ATOM 0 H1' DG A 10 8.260 -2.171 2.112 1.00 0.00 H new ATOM 0 H8 DG A 10 7.326 0.116 1.712 1.00 0.00 H new ATOM 0 H1 DG A 10 1.367 -2.301 1.721 1.00 0.00 H new ATOM 0 H21 DG A 10 2.886 -5.216 2.646 1.00 0.00 H new ATOM 0 H22 DG A 10 1.401 -4.340 2.257 1.00 0.00 H new ATOM 325 P DG A 11 10.855 -1.068 4.851 1.00 0.00 P ATOM 326 OP1 DG A 11 12.290 -1.258 4.555 1.00 0.00 O ATOM 327 OP2 DG A 11 10.486 -0.987 6.278 1.00 0.00 O ATOM 328 O5' DG A 11 10.330 0.278 4.145 1.00 0.00 O ATOM 329 C5' DG A 11 10.869 0.760 2.917 1.00 0.00 C ATOM 330 C4' DG A 11 10.165 2.031 2.395 1.00 0.00 C ATOM 331 O4' DG A 11 8.784 1.802 2.163 1.00 0.00 O ATOM 332 C3' DG A 11 10.212 3.246 3.327 1.00 0.00 C ATOM 333 O3' DG A 11 11.332 4.080 3.080 1.00 0.00 O ATOM 334 C2' DG A 11 8.969 4.035 2.914 1.00 0.00 C ATOM 335 C1' DG A 11 8.084 3.037 2.163 1.00 0.00 C ATOM 336 N9 DG A 11 6.765 2.887 2.821 1.00 0.00 N ATOM 337 C8 DG A 11 6.511 2.500 4.114 1.00 0.00 C ATOM 338 N7 DG A 11 5.249 2.535 4.451 1.00 0.00 N ATOM 339 C5 DG A 11 4.610 2.983 3.282 1.00 0.00 C ATOM 340 C6 DG A 11 3.222 3.237 2.985 1.00 0.00 C ATOM 341 O6 DG A 11 2.222 3.121 3.694 1.00 0.00 O ATOM 342 N1 DG A 11 2.998 3.678 1.701 1.00 0.00 N ATOM 343 C2 DG A 11 3.975 3.859 0.789 1.00 0.00 C ATOM 344 N2 DG A 11 3.581 4.282 -0.381 1.00 0.00 N ATOM 345 N3 DG A 11 5.271 3.642 1.005 1.00 0.00 N ATOM 346 C4 DG A 11 5.533 3.201 2.279 1.00 0.00 C ATOM 0 H5' DG A 11 10.793 -0.024 2.163 1.00 0.00 H new ATOM 0 H5'' DG A 11 11.930 0.971 3.052 1.00 0.00 H new ATOM 0 H4' DG A 11 10.728 2.253 1.489 1.00 0.00 H new ATOM 0 H3' DG A 11 10.265 2.937 4.371 1.00 0.00 H new ATOM 0 H2' DG A 11 8.453 4.439 3.785 1.00 0.00 H new ATOM 0 H2'' DG A 11 9.234 4.881 2.279 1.00 0.00 H new ATOM 0 HO3' DG A 11 11.316 4.841 3.698 1.00 0.00 H new ATOM 0 H1' DG A 11 7.888 3.384 1.148 1.00 0.00 H new ATOM 0 H8 DG A 11 7.290 2.192 4.796 1.00 0.00 H new ATOM 0 H1 DG A 11 2.038 3.880 1.423 1.00 0.00 H new ATOM 0 H21 DG A 11 4.264 4.442 -1.122 1.00 0.00 H new ATOM 0 H22 DG A 11 2.590 4.453 -0.555 1.00 0.00 H new TER 359 DG A 11 HETATM 360 K K A 101 0.392 1.652 2.175 1.00 0.00 K