USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=3 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 81:sc= 1.35 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.649 (180deg=-0.714) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.197 (180deg=-0.197) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.16 (180deg=-0.16) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -7.082 -0.487 -1.381 1.00 0.00 O ATOM 2 C5' DG A 1 -8.174 -1.309 -1.003 1.00 0.00 C ATOM 3 C4' DG A 1 -8.792 -0.933 0.358 1.00 0.00 C ATOM 4 O4' DG A 1 -7.902 -1.257 1.418 1.00 0.00 O ATOM 5 C3' DG A 1 -9.147 0.559 0.486 1.00 0.00 C ATOM 6 O3' DG A 1 -10.357 0.716 1.224 1.00 0.00 O ATOM 7 C2' DG A 1 -7.957 1.095 1.260 1.00 0.00 C ATOM 8 C1' DG A 1 -7.599 -0.082 2.152 1.00 0.00 C ATOM 9 N9 DG A 1 -6.184 -0.059 2.579 1.00 0.00 N ATOM 10 C8 DG A 1 -5.724 0.004 3.868 1.00 0.00 C ATOM 11 N7 DG A 1 -4.426 -0.079 3.979 1.00 0.00 N ATOM 12 C5 DG A 1 -3.990 -0.209 2.649 1.00 0.00 C ATOM 13 C6 DG A 1 -2.677 -0.342 2.073 1.00 0.00 C ATOM 14 O6 DG A 1 -1.581 -0.380 2.631 1.00 0.00 O ATOM 15 N1 DG A 1 -2.679 -0.439 0.695 1.00 0.00 N ATOM 16 C2 DG A 1 -3.800 -0.415 -0.060 1.00 0.00 C ATOM 17 N2 DG A 1 -3.677 -0.515 -1.356 1.00 0.00 N ATOM 18 N3 DG A 1 -5.031 -0.295 0.422 1.00 0.00 N ATOM 19 C4 DG A 1 -5.066 -0.196 1.787 1.00 0.00 C ATOM 0 H5' DG A 1 -7.841 -2.346 -0.966 1.00 0.00 H new ATOM 0 H5'' DG A 1 -8.945 -1.249 -1.771 1.00 0.00 H new ATOM 0 H4' DG A 1 -9.715 -1.510 0.421 1.00 0.00 H new ATOM 0 H3' DG A 1 -9.314 1.068 -0.463 1.00 0.00 H new ATOM 0 H2' DG A 1 -7.134 1.372 0.601 1.00 0.00 H new ATOM 0 H2'' DG A 1 -8.214 1.982 1.839 1.00 0.00 H new ATOM 0 HO5' DG A 1 -6.268 -0.797 -0.931 1.00 0.00 H new ATOM 0 H1' DG A 1 -8.175 -0.038 3.077 1.00 0.00 H new ATOM 0 H8 DG A 1 -6.379 0.113 4.720 1.00 0.00 H new ATOM 0 H1 DG A 1 -1.782 -0.534 0.219 1.00 0.00 H new ATOM 0 H21 DG A 1 -4.506 -0.500 -1.950 1.00 0.00 H new ATOM 0 H22 DG A 1 -2.752 -0.608 -1.775 1.00 0.00 H new ATOM 32 P DG A 2 -11.165 2.102 1.258 1.00 0.00 P ATOM 33 OP1 DG A 2 -12.471 1.810 1.892 1.00 0.00 O ATOM 34 OP2 DG A 2 -11.178 2.644 -0.108 1.00 0.00 O ATOM 35 O5' DG A 2 -10.344 3.106 2.202 1.00 0.00 O ATOM 36 C5' DG A 2 -10.255 2.926 3.610 1.00 0.00 C ATOM 37 C4' DG A 2 -9.546 4.077 4.360 1.00 0.00 C ATOM 38 O4' DG A 2 -8.196 3.729 4.668 1.00 0.00 O ATOM 39 C3' DG A 2 -9.472 5.431 3.633 1.00 0.00 C ATOM 40 O3' DG A 2 -9.412 6.445 4.640 1.00 0.00 O ATOM 41 C2' DG A 2 -8.172 5.253 2.868 1.00 0.00 C ATOM 42 C1' DG A 2 -7.321 4.596 3.949 1.00 0.00 C ATOM 43 N9 DG A 2 -6.152 3.874 3.408 1.00 0.00 N ATOM 44 C8 DG A 2 -5.919 3.487 2.112 1.00 0.00 C ATOM 45 N7 DG A 2 -4.693 3.147 1.865 1.00 0.00 N ATOM 46 C5 DG A 2 -4.052 3.320 3.088 1.00 0.00 C ATOM 47 C6 DG A 2 -2.687 3.113 3.462 1.00 0.00 C ATOM 48 O6 DG A 2 -1.753 2.727 2.761 1.00 0.00 O ATOM 49 N1 DG A 2 -2.437 3.399 4.789 1.00 0.00 N ATOM 50 C2 DG A 2 -3.381 3.831 5.655 1.00 0.00 C ATOM 51 N2 DG A 2 -2.992 4.060 6.879 1.00 0.00 N ATOM 52 N3 DG A 2 -4.660 4.039 5.358 1.00 0.00 N ATOM 53 C4 DG A 2 -4.936 3.764 4.044 1.00 0.00 C ATOM 0 H5' DG A 2 -9.723 1.996 3.812 1.00 0.00 H new ATOM 0 H5'' DG A 2 -11.261 2.812 4.013 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.179 4.205 5.238 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.298 5.711 2.979 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.289 4.621 1.988 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.755 6.201 2.527 1.00 0.00 H new ATOM 0 H1' DG A 2 -6.888 5.355 4.600 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.694 3.467 1.360 1.00 0.00 H new ATOM 0 H1 DG A 2 -1.486 3.277 5.136 1.00 0.00 H new ATOM 0 H21 DG A 2 -3.662 4.388 7.574 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.017 3.911 7.141 1.00 0.00 H new ATOM 65 P DT A 3 -8.994 7.962 4.353 1.00 0.00 P ATOM 66 OP1 DT A 3 -9.396 8.734 5.548 1.00 0.00 O ATOM 67 OP2 DT A 3 -9.583 8.347 3.062 1.00 0.00 O ATOM 68 O5' DT A 3 -7.396 7.993 4.227 1.00 0.00 O ATOM 69 C5' DT A 3 -6.745 9.072 3.565 1.00 0.00 C ATOM 70 C4' DT A 3 -5.213 9.030 3.679 1.00 0.00 C ATOM 71 O4' DT A 3 -4.831 9.128 5.047 1.00 0.00 O ATOM 72 C3' DT A 3 -4.496 7.837 3.032 1.00 0.00 C ATOM 73 O3' DT A 3 -3.462 8.277 2.147 1.00 0.00 O ATOM 74 C2' DT A 3 -3.971 7.093 4.251 1.00 0.00 C ATOM 75 C1' DT A 3 -3.872 8.133 5.368 1.00 0.00 C ATOM 76 N1 DT A 3 -4.217 7.578 6.713 1.00 0.00 N ATOM 77 C2 DT A 3 -3.288 7.681 7.758 1.00 0.00 C ATOM 78 O2 DT A 3 -2.166 8.170 7.641 1.00 0.00 O ATOM 79 N3 DT A 3 -3.686 7.194 8.984 1.00 0.00 N ATOM 80 C4 DT A 3 -4.892 6.590 9.265 1.00 0.00 C ATOM 81 O4 DT A 3 -5.092 6.162 10.403 1.00 0.00 O ATOM 82 C5 DT A 3 -5.822 6.526 8.137 1.00 0.00 C ATOM 83 C7 DT A 3 -7.202 5.912 8.306 1.00 0.00 C ATOM 84 C6 DT A 3 -5.464 7.025 6.926 1.00 0.00 C ATOM 0 H5' DT A 3 -7.106 10.013 3.980 1.00 0.00 H new ATOM 0 H5'' DT A 3 -7.023 9.061 2.511 1.00 0.00 H new ATOM 0 H4' DT A 3 -4.884 9.888 3.093 1.00 0.00 H new ATOM 0 H3' DT A 3 -5.126 7.212 2.399 1.00 0.00 H new ATOM 0 H2' DT A 3 -4.642 6.281 4.532 1.00 0.00 H new ATOM 0 H2'' DT A 3 -2.998 6.646 4.046 1.00 0.00 H new ATOM 0 H1' DT A 3 -2.848 8.502 5.428 1.00 0.00 H new ATOM 0 H3 DT A 3 -3.026 7.290 9.756 1.00 0.00 H new ATOM 0 H71 DT A 3 -7.900 6.392 7.621 1.00 0.00 H new ATOM 0 H72 DT A 3 -7.155 4.845 8.087 1.00 0.00 H new ATOM 0 H73 DT A 3 -7.542 6.058 9.331 1.00 0.00 H new ATOM 0 H6 DT A 3 -6.171 6.988 6.110 1.00 0.00 H new ATOM 97 P DT A 4 -2.446 7.229 1.455 1.00 0.00 P ATOM 98 OP1 DT A 4 -3.125 5.926 1.396 1.00 0.00 O ATOM 99 OP2 DT A 4 -1.161 7.356 2.180 1.00 0.00 O ATOM 100 O5' DT A 4 -2.264 7.764 -0.050 1.00 0.00 O ATOM 101 C5' DT A 4 -1.516 7.005 -1.007 1.00 0.00 C ATOM 102 C4' DT A 4 -1.702 7.460 -2.473 1.00 0.00 C ATOM 103 O4' DT A 4 -3.018 7.134 -2.891 1.00 0.00 O ATOM 104 C3' DT A 4 -1.517 8.976 -2.636 1.00 0.00 C ATOM 105 O3' DT A 4 -0.686 9.389 -3.741 1.00 0.00 O ATOM 106 C2' DT A 4 -2.962 9.481 -2.613 1.00 0.00 C ATOM 107 C1' DT A 4 -3.712 8.310 -3.249 1.00 0.00 C ATOM 108 N1 DT A 4 -5.147 8.165 -2.892 1.00 0.00 N ATOM 109 C2 DT A 4 -6.079 8.183 -3.940 1.00 0.00 C ATOM 110 O2 DT A 4 -5.799 8.408 -5.115 1.00 0.00 O ATOM 111 N3 DT A 4 -7.389 7.938 -3.622 1.00 0.00 N ATOM 112 C4 DT A 4 -7.866 7.655 -2.369 1.00 0.00 C ATOM 113 O4 DT A 4 -9.064 7.416 -2.249 1.00 0.00 O ATOM 114 C5 DT A 4 -6.856 7.657 -1.313 1.00 0.00 C ATOM 115 C7 DT A 4 -7.268 7.339 0.107 1.00 0.00 C ATOM 116 C6 DT A 4 -5.545 7.899 -1.596 1.00 0.00 C ATOM 0 H5' DT A 4 -1.804 5.957 -0.926 1.00 0.00 H new ATOM 0 H5'' DT A 4 -0.458 7.065 -0.753 1.00 0.00 H new ATOM 0 H4' DT A 4 -0.948 6.952 -3.074 1.00 0.00 H new ATOM 0 H3' DT A 4 -0.919 9.430 -1.846 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.308 9.686 -1.600 1.00 0.00 H new ATOM 0 H2'' DT A 4 -3.083 10.402 -3.183 1.00 0.00 H new ATOM 0 H1' DT A 4 -3.731 8.504 -4.321 1.00 0.00 H new ATOM 0 H3 DT A 4 -8.067 7.969 -4.383 1.00 0.00 H new ATOM 0 H71 DT A 4 -8.299 7.654 0.266 1.00 0.00 H new ATOM 0 H72 DT A 4 -7.186 6.266 0.278 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.616 7.868 0.802 1.00 0.00 H new ATOM 0 H6 DT A 4 -4.813 7.883 -0.802 1.00 0.00 H new ATOM 129 P DG A 5 -0.971 9.243 -5.329 1.00 0.00 P ATOM 130 OP1 DG A 5 0.152 9.938 -5.989 1.00 0.00 O ATOM 131 OP2 DG A 5 -2.322 9.757 -5.634 1.00 0.00 O ATOM 132 O5' DG A 5 -0.846 7.709 -5.745 1.00 0.00 O ATOM 133 C5' DG A 5 -1.962 6.886 -6.074 1.00 0.00 C ATOM 134 C4' DG A 5 -1.498 5.510 -6.561 1.00 0.00 C ATOM 135 O4' DG A 5 -0.542 5.016 -5.638 1.00 0.00 O ATOM 136 C3' DG A 5 -2.633 4.474 -6.681 1.00 0.00 C ATOM 137 O3' DG A 5 -2.501 3.836 -7.945 1.00 0.00 O ATOM 138 C2' DG A 5 -2.376 3.611 -5.450 1.00 0.00 C ATOM 139 C1' DG A 5 -0.862 3.697 -5.257 1.00 0.00 C ATOM 140 N9 DG A 5 -0.329 3.515 -3.877 1.00 0.00 N ATOM 141 C8 DG A 5 1.005 3.554 -3.567 1.00 0.00 C ATOM 142 N7 DG A 5 1.280 3.561 -2.289 1.00 0.00 N ATOM 143 C5 DG A 5 0.014 3.521 -1.691 1.00 0.00 C ATOM 144 C6 DG A 5 -0.370 3.504 -0.303 1.00 0.00 C ATOM 145 O6 DG A 5 0.372 3.523 0.681 1.00 0.00 O ATOM 146 N1 DG A 5 -1.736 3.460 -0.097 1.00 0.00 N ATOM 147 C2 DG A 5 -2.624 3.436 -1.122 1.00 0.00 C ATOM 148 N2 DG A 5 -3.892 3.396 -0.858 1.00 0.00 N ATOM 149 N3 DG A 5 -2.313 3.450 -2.407 1.00 0.00 N ATOM 150 C4 DG A 5 -0.973 3.493 -2.650 1.00 0.00 C ATOM 0 H5' DG A 5 -2.560 7.368 -6.848 1.00 0.00 H new ATOM 0 H5'' DG A 5 -2.604 6.770 -5.201 1.00 0.00 H new ATOM 0 H4' DG A 5 -1.088 5.647 -7.562 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.664 4.828 -6.677 1.00 0.00 H new ATOM 0 H2' DG A 5 -2.913 3.986 -4.579 1.00 0.00 H new ATOM 0 H2'' DG A 5 -2.702 2.583 -5.607 1.00 0.00 H new ATOM 0 H1' DG A 5 -0.424 2.879 -5.829 1.00 0.00 H new ATOM 0 H8 DG A 5 1.774 3.577 -4.324 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.089 3.445 0.860 1.00 0.00 H new ATOM 0 H21 DG A 5 -4.571 3.378 -1.619 1.00 0.00 H new ATOM 0 H22 DG A 5 -4.211 3.383 0.111 1.00 0.00 H new ATOM 162 P DG A 6 -3.218 2.469 -8.377 1.00 0.00 P ATOM 163 OP1 DG A 6 -3.572 2.606 -9.806 1.00 0.00 O ATOM 164 OP2 DG A 6 -4.305 2.165 -7.428 1.00 0.00 O ATOM 165 O5' DG A 6 -2.021 1.421 -8.228 1.00 0.00 O ATOM 166 C5' DG A 6 -0.826 1.600 -8.986 1.00 0.00 C ATOM 167 C4' DG A 6 0.318 0.693 -8.524 1.00 0.00 C ATOM 168 O4' DG A 6 0.586 0.963 -7.153 1.00 0.00 O ATOM 169 C3' DG A 6 -0.008 -0.804 -8.673 1.00 0.00 C ATOM 170 O3' DG A 6 0.870 -1.629 -9.446 1.00 0.00 O ATOM 171 C2' DG A 6 -0.181 -1.279 -7.239 1.00 0.00 C ATOM 172 C1' DG A 6 0.586 -0.240 -6.409 1.00 0.00 C ATOM 173 N9 DG A 6 -0.004 0.019 -5.068 1.00 0.00 N ATOM 174 C8 DG A 6 -1.322 -0.010 -4.673 1.00 0.00 C ATOM 175 N7 DG A 6 -1.512 0.107 -3.384 1.00 0.00 N ATOM 176 C5 DG A 6 -0.205 0.221 -2.884 1.00 0.00 C ATOM 177 C6 DG A 6 0.305 0.374 -1.548 1.00 0.00 C ATOM 178 O6 DG A 6 -0.300 0.447 -0.479 1.00 0.00 O ATOM 179 N1 DG A 6 1.679 0.446 -1.483 1.00 0.00 N ATOM 180 C2 DG A 6 2.493 0.385 -2.560 1.00 0.00 C ATOM 181 N2 DG A 6 3.778 0.465 -2.356 1.00 0.00 N ATOM 182 N3 DG A 6 2.073 0.245 -3.809 1.00 0.00 N ATOM 183 C4 DG A 6 0.714 0.169 -3.910 1.00 0.00 C ATOM 0 H5' DG A 6 -0.509 2.640 -8.914 1.00 0.00 H new ATOM 0 H5'' DG A 6 -1.036 1.403 -10.037 1.00 0.00 H new ATOM 0 H4' DG A 6 1.180 0.906 -9.156 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.896 -0.909 -9.297 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.233 -1.319 -6.956 1.00 0.00 H new ATOM 0 H2'' DG A 6 0.225 -2.281 -7.099 1.00 0.00 H new ATOM 0 H1' DG A 6 1.587 -0.629 -6.224 1.00 0.00 H new ATOM 0 H8 DG A 6 -2.137 -0.121 -5.373 1.00 0.00 H new ATOM 0 H1 DG A 6 2.109 0.552 -0.564 1.00 0.00 H new ATOM 0 H21 DG A 6 4.423 0.423 -3.145 1.00 0.00 H new ATOM 0 H22 DG A 6 4.138 0.570 -1.408 1.00 0.00 H new ATOM 195 P DT A 7 2.477 -1.715 -9.322 1.00 0.00 P ATOM 196 OP1 DT A 7 3.052 -0.383 -9.597 1.00 0.00 O ATOM 197 OP2 DT A 7 2.871 -2.839 -10.200 1.00 0.00 O ATOM 198 O5' DT A 7 2.838 -2.163 -7.827 1.00 0.00 O ATOM 199 C5' DT A 7 4.136 -1.900 -7.313 1.00 0.00 C ATOM 200 C4' DT A 7 4.482 -2.636 -6.010 1.00 0.00 C ATOM 201 O4' DT A 7 3.647 -2.207 -4.942 1.00 0.00 O ATOM 202 C3' DT A 7 4.395 -4.177 -6.089 1.00 0.00 C ATOM 203 O3' DT A 7 5.567 -4.944 -5.779 1.00 0.00 O ATOM 204 C2' DT A 7 3.225 -4.501 -5.172 1.00 0.00 C ATOM 205 C1' DT A 7 3.281 -3.338 -4.181 1.00 0.00 C ATOM 206 N1 DT A 7 2.035 -3.119 -3.398 1.00 0.00 N ATOM 207 C2 DT A 7 2.172 -2.841 -2.032 1.00 0.00 C ATOM 208 O2 DT A 7 3.236 -2.621 -1.465 1.00 0.00 O ATOM 209 N3 DT A 7 1.020 -2.760 -1.295 1.00 0.00 N ATOM 210 C4 DT A 7 -0.258 -2.889 -1.774 1.00 0.00 C ATOM 211 O4 DT A 7 -1.180 -2.742 -0.979 1.00 0.00 O ATOM 212 C5 DT A 7 -0.349 -3.127 -3.215 1.00 0.00 C ATOM 213 C7 DT A 7 -1.702 -3.225 -3.901 1.00 0.00 C ATOM 214 C6 DT A 7 0.780 -3.204 -3.972 1.00 0.00 C ATOM 0 H5' DT A 7 4.232 -0.828 -7.143 1.00 0.00 H new ATOM 0 H5'' DT A 7 4.872 -2.170 -8.071 1.00 0.00 H new ATOM 0 H4' DT A 7 5.526 -2.376 -5.832 1.00 0.00 H new ATOM 0 H3' DT A 7 4.270 -4.476 -7.130 1.00 0.00 H new ATOM 0 H2' DT A 7 2.278 -4.535 -5.711 1.00 0.00 H new ATOM 0 H2'' DT A 7 3.345 -5.466 -4.679 1.00 0.00 H new ATOM 0 H1' DT A 7 4.008 -3.560 -3.400 1.00 0.00 H new ATOM 0 H3 DT A 7 1.123 -2.587 -0.295 1.00 0.00 H new ATOM 0 H71 DT A 7 -1.614 -2.876 -4.930 1.00 0.00 H new ATOM 0 H72 DT A 7 -2.038 -4.262 -3.897 1.00 0.00 H new ATOM 0 H73 DT A 7 -2.425 -2.607 -3.369 1.00 0.00 H new ATOM 0 H6 DT A 7 0.694 -3.334 -5.041 1.00 0.00 H new ATOM 227 P DG A 8 6.432 -4.882 -4.424 1.00 0.00 P ATOM 228 OP1 DG A 8 6.699 -3.475 -4.090 1.00 0.00 O ATOM 229 OP2 DG A 8 7.591 -5.773 -4.660 1.00 0.00 O ATOM 230 O5' DG A 8 5.562 -5.565 -3.250 1.00 0.00 O ATOM 231 C5' DG A 8 5.745 -5.152 -1.890 1.00 0.00 C ATOM 232 C4' DG A 8 5.031 -5.993 -0.808 1.00 0.00 C ATOM 233 O4' DG A 8 3.670 -5.561 -0.689 1.00 0.00 O ATOM 234 C3' DG A 8 5.013 -7.517 -1.047 1.00 0.00 C ATOM 235 O3' DG A 8 4.980 -8.295 0.142 1.00 0.00 O ATOM 236 C2' DG A 8 3.632 -7.700 -1.629 1.00 0.00 C ATOM 237 C1' DG A 8 2.821 -6.692 -0.804 1.00 0.00 C ATOM 238 N9 DG A 8 1.500 -6.396 -1.422 1.00 0.00 N ATOM 239 C8 DG A 8 1.150 -6.519 -2.744 1.00 0.00 C ATOM 240 N7 DG A 8 -0.124 -6.400 -2.988 1.00 0.00 N ATOM 241 C5 DG A 8 -0.667 -6.130 -1.721 1.00 0.00 C ATOM 242 C6 DG A 8 -2.017 -5.851 -1.297 1.00 0.00 C ATOM 243 O6 DG A 8 -3.066 -5.859 -1.933 1.00 0.00 O ATOM 244 N1 DG A 8 -2.121 -5.508 0.034 1.00 0.00 N ATOM 245 C2 DG A 8 -1.079 -5.546 0.902 1.00 0.00 C ATOM 246 N2 DG A 8 -1.346 -5.356 2.169 1.00 0.00 N ATOM 247 N3 DG A 8 0.176 -5.857 0.582 1.00 0.00 N ATOM 248 C4 DG A 8 0.326 -6.105 -0.760 1.00 0.00 C ATOM 0 H5' DG A 8 5.405 -4.120 -1.799 1.00 0.00 H new ATOM 0 H5'' DG A 8 6.813 -5.156 -1.674 1.00 0.00 H new ATOM 0 H4' DG A 8 5.616 -5.827 0.096 1.00 0.00 H new ATOM 0 H3' DG A 8 5.889 -7.819 -1.620 1.00 0.00 H new ATOM 0 H2' DG A 8 3.603 -7.476 -2.695 1.00 0.00 H new ATOM 0 H2'' DG A 8 3.266 -8.720 -1.507 1.00 0.00 H new ATOM 0 H1' DG A 8 2.551 -7.075 0.180 1.00 0.00 H new ATOM 0 H8 DG A 8 1.876 -6.701 -3.523 1.00 0.00 H new ATOM 0 H1 DG A 8 -3.031 -5.209 0.385 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.594 -5.376 2.857 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.307 -5.188 2.468 1.00 0.00 H new ATOM 260 P DT A 9 6.235 -9.043 0.762 1.00 0.00 P ATOM 261 OP1 DT A 9 7.503 -8.462 0.270 1.00 0.00 O ATOM 262 OP2 DT A 9 6.013 -10.500 0.622 1.00 0.00 O ATOM 263 O5' DT A 9 6.055 -8.671 2.301 1.00 0.00 O ATOM 264 C5' DT A 9 6.376 -7.371 2.767 1.00 0.00 C ATOM 265 C4' DT A 9 5.392 -6.769 3.789 1.00 0.00 C ATOM 266 O4' DT A 9 4.107 -6.816 3.198 1.00 0.00 O ATOM 267 C3' DT A 9 5.289 -7.503 5.135 1.00 0.00 C ATOM 268 O3' DT A 9 5.106 -6.606 6.226 1.00 0.00 O ATOM 269 C2' DT A 9 4.007 -8.312 4.983 1.00 0.00 C ATOM 270 C1' DT A 9 3.169 -7.400 4.080 1.00 0.00 C ATOM 271 N1 DT A 9 2.178 -8.134 3.252 1.00 0.00 N ATOM 272 C2 DT A 9 0.819 -7.818 3.348 1.00 0.00 C ATOM 273 O2 DT A 9 0.375 -6.869 3.988 1.00 0.00 O ATOM 274 N3 DT A 9 -0.053 -8.606 2.625 1.00 0.00 N ATOM 275 C4 DT A 9 0.311 -9.568 1.708 1.00 0.00 C ATOM 276 O4 DT A 9 -0.571 -10.208 1.131 1.00 0.00 O ATOM 277 C5 DT A 9 1.752 -9.716 1.526 1.00 0.00 C ATOM 278 C7 DT A 9 2.328 -10.602 0.443 1.00 0.00 C ATOM 279 C6 DT A 9 2.619 -9.027 2.306 1.00 0.00 C ATOM 0 H5' DT A 9 6.436 -6.701 1.909 1.00 0.00 H new ATOM 0 H5'' DT A 9 7.368 -7.401 3.218 1.00 0.00 H new ATOM 0 H4' DT A 9 5.765 -5.770 4.016 1.00 0.00 H new ATOM 0 H3' DT A 9 6.191 -8.079 5.344 1.00 0.00 H new ATOM 0 H2' DT A 9 4.189 -9.285 4.526 1.00 0.00 H new ATOM 0 H2'' DT A 9 3.523 -8.495 5.942 1.00 0.00 H new ATOM 0 H1' DT A 9 2.605 -6.698 4.695 1.00 0.00 H new ATOM 0 H3 DT A 9 -1.051 -8.465 2.783 1.00 0.00 H new ATOM 0 H71 DT A 9 3.289 -10.203 0.119 1.00 0.00 H new ATOM 0 H72 DT A 9 2.467 -11.610 0.833 1.00 0.00 H new ATOM 0 H73 DT A 9 1.643 -10.632 -0.405 1.00 0.00 H new ATOM 0 H6 DT A 9 3.680 -9.183 2.181 1.00 0.00 H new ATOM 292 P DG A 10 6.327 -5.930 7.009 1.00 0.00 P ATOM 293 OP1 DG A 10 7.327 -6.994 7.262 1.00 0.00 O ATOM 294 OP2 DG A 10 5.769 -5.242 8.195 1.00 0.00 O ATOM 295 O5' DG A 10 6.969 -4.834 6.022 1.00 0.00 O ATOM 296 C5' DG A 10 8.096 -5.124 5.201 1.00 0.00 C ATOM 297 C4' DG A 10 8.451 -3.990 4.225 1.00 0.00 C ATOM 298 O4' DG A 10 7.512 -3.782 3.161 1.00 0.00 O ATOM 299 C3' DG A 10 8.692 -2.638 4.927 1.00 0.00 C ATOM 300 O3' DG A 10 9.975 -2.120 4.583 1.00 0.00 O ATOM 301 C2' DG A 10 7.536 -1.803 4.381 1.00 0.00 C ATOM 302 C1' DG A 10 7.412 -2.380 2.979 1.00 0.00 C ATOM 303 N9 DG A 10 6.288 -1.814 2.183 1.00 0.00 N ATOM 304 C8 DG A 10 6.245 -0.496 1.797 1.00 0.00 C ATOM 305 N7 DG A 10 5.070 -0.044 1.467 1.00 0.00 N ATOM 306 C5 DG A 10 4.252 -1.159 1.648 1.00 0.00 C ATOM 307 C6 DG A 10 2.840 -1.311 1.450 1.00 0.00 C ATOM 308 O6 DG A 10 2.016 -0.480 1.079 1.00 0.00 O ATOM 309 N1 DG A 10 2.368 -2.571 1.725 1.00 0.00 N ATOM 310 C2 DG A 10 3.160 -3.577 2.144 1.00 0.00 C ATOM 311 N2 DG A 10 2.548 -4.703 2.355 1.00 0.00 N ATOM 312 N3 DG A 10 4.474 -3.497 2.349 1.00 0.00 N ATOM 313 C4 DG A 10 4.978 -2.250 2.083 1.00 0.00 C ATOM 0 H5' DG A 10 7.898 -6.033 4.633 1.00 0.00 H new ATOM 0 H5'' DG A 10 8.957 -5.328 5.838 1.00 0.00 H new ATOM 0 H4' DG A 10 9.379 -4.352 3.782 1.00 0.00 H new ATOM 0 H3' DG A 10 8.706 -2.673 6.016 1.00 0.00 H new ATOM 0 H2' DG A 10 6.623 -1.929 4.963 1.00 0.00 H new ATOM 0 H2'' DG A 10 7.763 -0.737 4.372 1.00 0.00 H new ATOM 0 H1' DG A 10 8.208 -2.077 2.299 1.00 0.00 H new ATOM 0 H8 DG A 10 7.129 0.124 1.769 1.00 0.00 H new ATOM 0 H1 DG A 10 1.372 -2.754 1.607 1.00 0.00 H new ATOM 0 H21 DG A 10 3.073 -5.517 2.674 1.00 0.00 H new ATOM 0 H22 DG A 10 1.542 -4.773 2.202 1.00 0.00 H new ATOM 325 P DG A 11 10.558 -0.759 5.207 1.00 0.00 P ATOM 326 OP1 DG A 11 12.026 -0.815 5.065 1.00 0.00 O ATOM 327 OP2 DG A 11 9.995 -0.588 6.561 1.00 0.00 O ATOM 328 O5' DG A 11 9.999 0.431 4.309 1.00 0.00 O ATOM 329 C5' DG A 11 10.547 0.746 3.036 1.00 0.00 C ATOM 330 C4' DG A 11 9.954 2.054 2.499 1.00 0.00 C ATOM 331 O4' DG A 11 8.560 1.952 2.266 1.00 0.00 O ATOM 332 C3' DG A 11 10.051 3.213 3.491 1.00 0.00 C ATOM 333 O3' DG A 11 11.345 3.776 3.634 1.00 0.00 O ATOM 334 C2' DG A 11 9.050 4.192 2.888 1.00 0.00 C ATOM 335 C1' DG A 11 8.002 3.261 2.254 1.00 0.00 C ATOM 336 N9 DG A 11 6.725 3.219 3.004 1.00 0.00 N ATOM 337 C8 DG A 11 6.529 3.006 4.344 1.00 0.00 C ATOM 338 N7 DG A 11 5.274 2.991 4.714 1.00 0.00 N ATOM 339 C5 DG A 11 4.583 3.213 3.511 1.00 0.00 C ATOM 340 C6 DG A 11 3.177 3.314 3.210 1.00 0.00 C ATOM 341 O6 DG A 11 2.201 3.223 3.953 1.00 0.00 O ATOM 342 N1 DG A 11 2.907 3.546 1.879 1.00 0.00 N ATOM 343 C2 DG A 11 3.859 3.668 0.929 1.00 0.00 C ATOM 344 N2 DG A 11 3.443 3.885 -0.287 1.00 0.00 N ATOM 345 N3 DG A 11 5.167 3.583 1.146 1.00 0.00 N ATOM 346 C4 DG A 11 5.469 3.354 2.462 1.00 0.00 C ATOM 0 H5' DG A 11 10.344 -0.065 2.337 1.00 0.00 H new ATOM 0 H5'' DG A 11 11.630 0.837 3.113 1.00 0.00 H new ATOM 0 H4' DG A 11 10.533 2.235 1.593 1.00 0.00 H new ATOM 0 H3' DG A 11 9.842 2.908 4.516 1.00 0.00 H new ATOM 0 H2' DG A 11 8.610 4.839 3.647 1.00 0.00 H new ATOM 0 H2'' DG A 11 9.516 4.841 2.146 1.00 0.00 H new ATOM 0 HO3' DG A 11 11.313 4.509 4.284 1.00 0.00 H new ATOM 0 H1' DG A 11 7.774 3.631 1.254 1.00 0.00 H new ATOM 0 H8 DG A 11 7.344 2.862 5.038 1.00 0.00 H new ATOM 0 H1 DG A 11 1.931 3.631 1.595 1.00 0.00 H new ATOM 0 H21 DG A 11 4.117 3.986 -1.046 1.00 0.00 H new ATOM 0 H22 DG A 11 2.444 3.954 -0.479 1.00 0.00 H new TER 359 DG A 11 HETATM 360 K K A 101 0.348 1.299 2.191 1.00 0.00 K