USER MOD reduce.3.24.130724 H: found=0, std=0, add=118, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 118 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 DA O5' : rot 180:sc= -0.0962 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 3 DT C7 :methyl -30:sc= -0.0348 (180deg=-0.124) USER MOD Single : A 5 DT C7 :methyl -30:sc= 0 (180deg=-0.0607) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.518 (180deg=-2.55!) USER MOD Single : A 10 DT C7 :methyl -30:sc= 0 (180deg=-0.0792) USER MOD Single : A 10 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -7.857 3.170 19.184 1.00 0.00 O ATOM 2 C5' DA A 1 -8.743 4.254 18.948 1.00 0.00 C ATOM 3 C4' DA A 1 -8.671 4.874 17.538 1.00 0.00 C ATOM 4 O4' DA A 1 -7.495 5.669 17.396 1.00 0.00 O ATOM 5 C3' DA A 1 -8.657 3.861 16.393 1.00 0.00 C ATOM 6 O3' DA A 1 -9.323 4.464 15.286 1.00 0.00 O ATOM 7 C2' DA A 1 -7.145 3.708 16.242 1.00 0.00 C ATOM 8 C1' DA A 1 -6.627 5.118 16.422 1.00 0.00 C ATOM 9 N9 DA A 1 -5.256 5.093 16.956 1.00 0.00 N ATOM 10 C8 DA A 1 -4.937 4.830 18.249 1.00 0.00 C ATOM 11 N7 DA A 1 -3.665 4.879 18.530 1.00 0.00 N ATOM 12 C5 DA A 1 -3.091 5.090 17.274 1.00 0.00 C ATOM 13 C6 DA A 1 -1.758 5.163 16.814 1.00 0.00 C ATOM 14 N6 DA A 1 -0.701 5.086 17.612 1.00 0.00 N ATOM 15 N1 DA A 1 -1.514 5.308 15.507 1.00 0.00 N ATOM 16 C2 DA A 1 -2.545 5.388 14.672 1.00 0.00 C ATOM 17 N3 DA A 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0.00 H new ATOM 0 H2'' DT A 2 -4.794 0.279 12.492 1.00 0.00 H new ATOM 0 H1' DT A 2 -3.610 2.308 12.788 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.524 2.045 15.735 1.00 0.00 H new ATOM 0 H71 DT A 2 -5.218 1.631 18.373 1.00 0.00 H new ATOM 0 H72 DT A 2 -4.275 0.125 18.473 1.00 0.00 H new ATOM 0 H73 DT A 2 -3.652 1.616 19.218 1.00 0.00 H new ATOM 0 H6 DT A 2 -5.310 1.586 15.974 1.00 0.00 H new ATOM 63 P DT A 3 -7.665 -0.720 11.775 1.00 0.00 P ATOM 64 OP1 DT A 3 -8.856 -0.776 10.906 1.00 0.00 O ATOM 65 OP2 DT A 3 -7.919 -0.871 13.224 1.00 0.00 O ATOM 66 O5' DT A 3 -6.535 -1.779 11.292 1.00 0.00 O ATOM 67 C5' DT A 3 -5.513 -2.260 12.162 1.00 0.00 C ATOM 68 C4' DT A 3 -4.122 -2.326 11.492 1.00 0.00 C ATOM 69 O4' DT A 3 -3.986 -1.507 10.335 1.00 0.00 O ATOM 70 C3' DT A 3 -2.947 -1.969 12.436 1.00 0.00 C ATOM 71 O3' DT A 3 -2.173 -3.173 12.591 1.00 0.00 O ATOM 72 C2' DT A 3 -2.256 -0.834 11.672 1.00 0.00 C ATOM 73 C1' DT A 3 -2.620 -1.170 10.229 1.00 0.00 C ATOM 74 N1 DT A 3 -2.380 -0.098 9.225 1.00 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ATOM 0 H6 DT A 3 -2.805 1.489 10.550 1.00 0.00 H new ATOM 95 P DC A 4 -0.563 -3.329 12.363 1.00 0.00 P ATOM 96 OP1 DC A 4 -0.200 -2.920 10.983 1.00 0.00 O ATOM 97 OP2 DC A 4 -0.139 -4.666 12.837 1.00 0.00 O ATOM 98 O5' DC A 4 -0.023 -2.233 13.411 1.00 0.00 O ATOM 99 C5' DC A 4 1.226 -1.559 13.319 1.00 0.00 C ATOM 100 C4' DC A 4 2.048 -1.777 14.604 1.00 0.00 C ATOM 101 O4' DC A 4 1.468 -1.068 15.690 1.00 0.00 O ATOM 102 C3' DC A 4 2.146 -3.258 14.983 1.00 0.00 C ATOM 103 O3' DC A 4 3.426 -3.825 14.772 1.00 0.00 O ATOM 104 C2' DC A 4 1.847 -3.255 16.476 1.00 0.00 C ATOM 105 C1' DC A 4 1.225 -1.904 16.812 1.00 0.00 C ATOM 106 N1 DC A 4 -0.226 -2.038 17.128 1.00 0.00 N ATOM 107 C2 DC A 4 -0.617 -2.580 18.359 1.00 0.00 C ATOM 108 O2 DC A 4 0.217 -2.822 19.229 1.00 0.00 O ATOM 109 N3 DC A 4 -1.936 -2.850 18.578 1.00 0.00 N ATOM 110 C4 DC A 4 -2.831 -2.592 17.631 1.00 0.00 C ATOM 111 N4 DC A 4 -4.080 -2.901 17.908 1.00 0.00 N ATOM 112 C5 DC A 4 -2.481 -2.005 16.374 1.00 0.00 C ATOM 113 C6 DC A 4 -1.172 -1.733 16.189 1.00 0.00 C ATOM 0 H5' DC A 4 1.061 -0.493 13.161 1.00 0.00 H new ATOM 0 H5'' DC A 4 1.782 -1.926 12.457 1.00 0.00 H new ATOM 0 H4' DC A 4 3.052 -1.404 14.401 1.00 0.00 H new ATOM 0 H3' DC A 4 1.470 -3.854 14.370 1.00 0.00 H new ATOM 0 H2' DC A 4 1.166 -4.066 16.733 1.00 0.00 H new ATOM 0 H2'' DC A 4 2.760 -3.411 17.051 1.00 0.00 H new ATOM 0 H1' DC A 4 1.667 -1.469 17.708 1.00 0.00 H new ATOM 0 H41 DC A 4 -4.813 -2.727 17.221 1.00 0.00 H new ATOM 0 H42 DC A 4 -4.315 -3.315 18.810 1.00 0.00 H new ATOM 0 H5 DC A 4 -3.221 -1.792 15.617 1.00 0.00 H new ATOM 0 H6 DC A 4 -0.862 -1.259 15.269 1.00 0.00 H new ATOM 125 P DT A 5 4.196 -3.871 13.347 1.00 0.00 P ATOM 126 OP1 DT A 5 4.155 -2.559 12.666 1.00 0.00 O ATOM 127 OP2 DT A 5 3.739 -5.085 12.640 1.00 0.00 O ATOM 128 O5' DT A 5 5.721 -4.034 13.807 1.00 0.00 O ATOM 129 C5' DT A 5 6.142 -3.477 15.041 1.00 0.00 C ATOM 130 C4' DT A 5 7.467 -2.733 14.938 1.00 0.00 C ATOM 131 O4' DT A 5 7.684 -1.930 16.089 1.00 0.00 O ATOM 132 C3' DT A 5 8.677 -3.633 14.775 1.00 0.00 C ATOM 133 O3' DT A 5 9.787 -2.980 14.154 1.00 0.00 O ATOM 134 C2' DT A 5 8.978 -3.882 16.255 1.00 0.00 C ATOM 135 C1' DT A 5 8.545 -2.610 16.983 1.00 0.00 C ATOM 136 N1 DT A 5 7.865 -2.750 18.310 1.00 0.00 N ATOM 137 C2 DT A 5 8.329 -1.942 19.357 1.00 0.00 C ATOM 138 O2 DT A 5 9.369 -1.293 19.306 1.00 0.00 O ATOM 139 N3 DT A 5 7.548 -1.880 20.495 1.00 0.00 N ATOM 140 C4 DT A 5 6.337 -2.517 20.684 1.00 0.00 C ATOM 141 O4 DT A 5 5.735 -2.341 21.738 1.00 0.00 O ATOM 142 C5 DT A 5 5.917 -3.357 19.568 1.00 0.00 C ATOM 143 C7 DT A 5 4.584 -4.089 19.620 1.00 0.00 C ATOM 144 C6 DT A 5 6.693 -3.468 18.458 1.00 0.00 C ATOM 0 H5' DT A 5 6.235 -4.273 15.779 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.375 -2.793 15.405 1.00 0.00 H new ATOM 0 H4' DT A 5 7.373 -2.129 14.036 1.00 0.00 H new ATOM 0 H3' DT A 5 8.505 -4.506 14.145 1.00 0.00 H new ATOM 0 H2' DT A 5 8.433 -4.750 16.625 1.00 0.00 H new ATOM 0 H2'' DT A 5 10.038 -4.081 16.411 1.00 0.00 H new ATOM 0 H1' DT A 5 9.464 -2.085 17.245 1.00 0.00 H new ATOM 0 H3 DT A 5 7.898 -1.312 21.266 1.00 0.00 H new ATOM 0 H71 DT A 5 4.338 -4.325 20.656 1.00 0.00 H new ATOM 0 H72 DT A 5 3.804 -3.455 19.197 1.00 0.00 H new ATOM 0 H73 DT A 5 4.653 -5.012 19.045 1.00 0.00 H new ATOM 0 H6 DT A 5 6.385 -4.137 17.668 1.00 0.00 H new ATOM 157 P DA A 6 9.789 -2.328 12.658 1.00 0.00 P ATOM 158 OP1 DA A 6 8.450 -2.409 12.004 1.00 0.00 O ATOM 159 OP2 DA A 6 10.943 -2.845 11.904 1.00 0.00 O ATOM 160 O5' DA A 6 10.097 -0.759 12.955 1.00 0.00 O ATOM 161 C5' DA A 6 9.214 0.111 13.661 1.00 0.00 C ATOM 162 C4' DA A 6 7.972 0.401 12.816 1.00 0.00 C ATOM 163 O4' DA A 6 6.776 -0.108 13.374 1.00 0.00 O ATOM 164 C3' DA A 6 7.734 1.809 12.305 1.00 0.00 C ATOM 165 O3' DA A 6 7.813 1.859 10.873 1.00 0.00 O ATOM 166 C2' DA A 6 6.360 2.124 12.877 1.00 0.00 C ATOM 167 C1' DA A 6 5.711 0.790 13.184 1.00 0.00 C ATOM 168 N9 DA A 6 4.930 0.844 14.433 1.00 0.00 N ATOM 169 C8 DA A 6 5.360 0.513 15.686 1.00 0.00 C ATOM 170 N7 DA A 6 4.506 0.767 16.641 1.00 0.00 N ATOM 171 C5 DA A 6 3.407 1.285 15.948 1.00 0.00 C ATOM 172 C6 DA A 6 2.117 1.730 16.325 1.00 0.00 C ATOM 173 N6 DA A 6 1.649 1.731 17.569 1.00 0.00 N ATOM 174 N1 DA A 6 1.254 2.129 15.381 1.00 0.00 N ATOM 175 C2 DA A 6 1.626 2.072 14.108 1.00 0.00 C ATOM 176 N3 DA A 6 2.793 1.679 13.610 1.00 0.00 N ATOM 177 C4 DA A 6 3.648 1.301 14.595 1.00 0.00 C ATOM 0 H5' DA A 6 9.725 1.043 13.901 1.00 0.00 H new ATOM 0 H5'' DA A 6 8.921 -0.345 14.607 1.00 0.00 H new ATOM 0 H4' DA A 6 8.252 -0.155 11.921 1.00 0.00 H new ATOM 0 H3' DA A 6 8.476 2.546 12.611 1.00 0.00 H new ATOM 0 H2' DA A 6 6.444 2.732 13.778 1.00 0.00 H new ATOM 0 H2'' DA A 6 5.763 2.692 12.164 1.00 0.00 H new ATOM 0 H1' DA A 6 5.034 0.503 12.379 1.00 0.00 H new ATOM 0 H8 DA A 6 6.330 0.076 15.873 1.00 0.00 H new ATOM 0 H61 DA A 6 0.705 2.069 17.759 1.00 0.00 H new ATOM 0 H62 DA A 6 2.233 1.394 18.334 1.00 0.00 H new ATOM 0 H2 DA A 6 0.886 2.385 13.386 1.00 0.00 H new ATOM 189 P DT A 7 6.868 1.058 9.801 1.00 0.00 P ATOM 190 OP1 DT A 7 6.585 -0.308 10.325 1.00 0.00 O ATOM 191 OP2 DT A 7 7.551 1.141 8.500 1.00 0.00 O ATOM 192 O5' DT A 7 5.513 1.922 9.767 1.00 0.00 O ATOM 193 C5' DT A 7 5.524 3.309 9.446 1.00 0.00 C ATOM 194 C4' DT A 7 4.143 3.924 9.673 1.00 0.00 C ATOM 195 O4' DT A 7 3.683 3.714 10.990 1.00 0.00 O ATOM 196 C3' DT A 7 4.126 5.438 9.448 1.00 0.00 C ATOM 197 O3' DT A 7 3.639 5.711 8.149 1.00 0.00 O ATOM 198 C2' DT A 7 3.198 5.967 10.546 1.00 0.00 C ATOM 199 C1' DT A 7 2.717 4.707 11.259 1.00 0.00 C ATOM 200 N1 DT A 7 2.570 4.935 12.715 1.00 0.00 N ATOM 201 C2 DT A 7 1.297 5.252 13.193 1.00 0.00 C ATOM 202 O2 DT A 7 0.308 5.352 12.471 1.00 0.00 O ATOM 203 N3 DT A 7 1.185 5.443 14.551 1.00 0.00 N ATOM 204 C4 DT A 7 2.209 5.344 15.474 1.00 0.00 C ATOM 205 O4 DT A 7 1.950 5.517 16.662 1.00 0.00 O ATOM 206 C5 DT A 7 3.516 5.023 14.903 1.00 0.00 C ATOM 207 C7 DT A 7 4.723 4.876 15.812 1.00 0.00 C ATOM 208 C6 DT A 7 3.656 4.836 13.563 1.00 0.00 C ATOM 0 H5' DT A 7 5.822 3.445 8.406 1.00 0.00 H new ATOM 0 H5'' DT A 7 6.263 3.824 10.060 1.00 0.00 H new ATOM 0 H4' DT A 7 3.499 3.426 8.948 1.00 0.00 H new ATOM 0 H3' DT A 7 5.107 5.909 9.505 1.00 0.00 H new ATOM 0 H2' DT A 7 3.725 6.635 11.227 1.00 0.00 H new ATOM 0 H2'' DT A 7 2.365 6.532 10.127 1.00 0.00 H new ATOM 0 H1' DT A 7 1.732 4.405 10.903 1.00 0.00 H new ATOM 0 H3 DT A 7 0.260 5.680 14.910 1.00 0.00 H new ATOM 0 H71 DT A 7 5.423 4.164 15.375 1.00 0.00 H new ATOM 0 H72 DT A 7 5.213 5.843 15.926 1.00 0.00 H new ATOM 0 H73 DT A 7 4.401 4.515 16.789 1.00 0.00 H new ATOM 0 H6 DT A 7 4.630 4.607 13.156 1.00 0.00 H new ATOM 221 P DT A 8 3.786 7.169 7.485 1.00 0.00 P ATOM 222 OP1 DT A 8 3.573 7.013 6.027 1.00 0.00 O ATOM 223 OP2 DT A 8 5.020 7.806 7.985 1.00 0.00 O ATOM 224 O5' DT A 8 2.528 7.954 8.124 1.00 0.00 O ATOM 225 C5' DT A 8 1.978 9.104 7.513 1.00 0.00 C ATOM 226 C4' DT A 8 0.664 8.836 6.765 1.00 0.00 C ATOM 227 O4' DT A 8 0.807 7.693 5.931 1.00 0.00 O ATOM 228 C3' DT A 8 -0.483 8.531 7.734 1.00 0.00 C ATOM 229 O3' DT A 8 -1.690 9.029 7.189 1.00 0.00 O ATOM 230 C2' DT A 8 -0.444 7.013 7.769 1.00 0.00 C ATOM 231 C1' DT A 8 -0.140 6.707 6.299 1.00 0.00 C ATOM 232 N1 DT A 8 0.369 5.326 6.032 1.00 0.00 N ATOM 233 C2 DT A 8 0.083 4.814 4.766 1.00 0.00 C ATOM 234 O2 DT A 8 -0.023 5.544 3.783 1.00 0.00 O ATOM 235 N3 DT A 8 0.062 3.442 4.619 1.00 0.00 N ATOM 236 C4 DT A 8 0.382 2.526 5.601 1.00 0.00 C ATOM 237 O4 DT A 8 0.311 1.325 5.344 1.00 0.00 O ATOM 238 C5 DT A 8 0.779 3.122 6.875 1.00 0.00 C ATOM 239 C7 DT A 8 1.170 2.227 8.037 1.00 0.00 C ATOM 240 C6 DT A 8 0.763 4.473 7.045 1.00 0.00 C ATOM 0 H5' DT A 8 2.706 9.517 6.815 1.00 0.00 H new ATOM 0 H5'' DT A 8 1.803 9.862 8.276 1.00 0.00 H new ATOM 0 H4' DT A 8 0.439 9.733 6.188 1.00 0.00 H new ATOM 0 H3' DT A 8 -0.404 8.978 8.725 1.00 0.00 H new ATOM 0 H2' DT A 8 0.327 6.634 8.439 1.00 0.00 H new ATOM 0 H2'' DT A 8 -1.390 6.581 8.095 1.00 0.00 H new ATOM 0 H1' DT A 8 -1.057 6.738 5.710 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.213 3.074 3.708 1.00 0.00 H new ATOM 0 H71 DT A 8 0.627 1.284 7.969 1.00 0.00 H new ATOM 0 H72 DT A 8 2.242 2.032 8.002 1.00 0.00 H new ATOM 0 H73 DT A 8 0.922 2.721 8.976 1.00 0.00 H new ATOM 0 H6 DT A 8 1.066 4.888 7.995 1.00 0.00 H new ATOM 253 P DC A 9 -3.112 8.847 7.917 1.00 0.00 P ATOM 254 OP1 DC A 9 -3.934 7.961 7.066 1.00 0.00 O ATOM 255 OP2 DC A 9 -3.684 10.178 8.195 1.00 0.00 O ATOM 256 O5' DC A 9 -2.862 8.105 9.337 1.00 0.00 O ATOM 257 C5' DC A 9 -3.732 7.085 9.815 1.00 0.00 C ATOM 258 C4' DC A 9 -4.401 7.448 11.148 1.00 0.00 C ATOM 259 O4' DC A 9 -3.504 7.127 12.195 1.00 0.00 O ATOM 260 C3' DC A 9 -4.792 8.933 11.267 1.00 0.00 C ATOM 261 O3' DC A 9 -6.128 9.116 11.707 1.00 0.00 O ATOM 262 C2' DC A 9 -3.767 9.465 12.254 1.00 0.00 C ATOM 263 C1' DC A 9 -3.351 8.233 13.061 1.00 0.00 C ATOM 264 N1 DC A 9 -1.929 8.331 13.474 1.00 0.00 N ATOM 265 C2 DC A 9 -1.584 8.447 14.828 1.00 0.00 C ATOM 266 O2 DC A 9 -2.431 8.369 15.721 1.00 0.00 O ATOM 267 N3 DC A 9 -0.283 8.640 15.176 1.00 0.00 N ATOM 268 C4 DC A 9 0.640 8.730 14.223 1.00 0.00 C ATOM 269 N4 DC A 9 1.883 8.897 14.622 1.00 0.00 N ATOM 270 C5 DC A 9 0.330 8.618 12.832 1.00 0.00 C ATOM 271 C6 DC A 9 -0.961 8.390 12.507 1.00 0.00 C ATOM 0 H5' DC A 9 -3.167 6.161 9.937 1.00 0.00 H new ATOM 0 H5'' DC A 9 -4.502 6.892 9.068 1.00 0.00 H new ATOM 0 H4' DC A 9 -5.328 6.878 11.207 1.00 0.00 H new ATOM 0 H3' DC A 9 -4.778 9.458 10.312 1.00 0.00 H new ATOM 0 H2' DC A 9 -2.915 9.912 11.742 1.00 0.00 H new ATOM 0 H2'' DC A 9 -4.194 10.236 12.895 1.00 0.00 H new ATOM 0 H1' DC A 9 -3.956 8.141 13.963 1.00 0.00 H new ATOM 0 H41 DC A 9 2.633 8.973 13.935 1.00 0.00 H new ATOM 0 H42 DC A 9 2.096 8.951 15.618 1.00 0.00 H new ATOM 0 H5 DC A 9 1.094 8.712 12.075 1.00 0.00 H new ATOM 0 H6 DC A 9 -1.233 8.252 11.471 1.00 0.00 H new ATOM 283 P DT A 10 -7.367 8.802 10.717 1.00 0.00 P ATOM 284 OP1 DT A 10 -8.009 7.548 11.167 1.00 0.00 O ATOM 285 OP2 DT A 10 -6.877 8.887 9.321 1.00 0.00 O ATOM 286 O5' DT A 10 -8.391 10.038 10.922 1.00 0.00 O ATOM 287 C5' DT A 10 -8.937 10.439 12.174 1.00 0.00 C ATOM 288 C4' DT A 10 -9.767 9.343 12.863 1.00 0.00 C ATOM 289 O4' DT A 10 -8.928 8.602 13.754 1.00 0.00 O ATOM 290 C3' DT A 10 -10.910 9.897 13.722 1.00 0.00 C ATOM 291 O3' DT A 10 -11.965 8.952 13.764 1.00 0.00 O ATOM 292 C2' DT A 10 -10.266 10.032 15.092 1.00 0.00 C ATOM 293 C1' DT A 10 -9.315 8.835 15.104 1.00 0.00 C ATOM 294 N1 DT A 10 -8.155 9.070 16.005 1.00 0.00 N ATOM 295 C2 DT A 10 -8.207 8.519 17.288 1.00 0.00 C ATOM 296 O2 DT A 10 -9.225 8.031 17.772 1.00 0.00 O ATOM 297 N3 DT A 10 -7.037 8.554 18.024 1.00 0.00 N ATOM 298 C4 DT A 10 -5.867 9.178 17.640 1.00 0.00 C ATOM 299 O4 DT A 10 -4.855 9.048 18.329 1.00 0.00 O ATOM 300 C5 DT A 10 -5.980 9.955 16.410 1.00 0.00 C ATOM 301 C7 DT A 10 -4.854 10.885 16.012 1.00 0.00 C ATOM 302 C6 DT A 10 -7.094 9.868 15.633 1.00 0.00 C ATOM 0 H5' DT A 10 -9.565 11.317 12.023 1.00 0.00 H new ATOM 0 H5'' DT A 10 -8.125 10.738 12.836 1.00 0.00 H new ATOM 0 H4' DT A 10 -10.183 8.735 12.060 1.00 0.00 H new ATOM 0 H3' DT A 10 -11.332 10.832 13.353 1.00 0.00 H new ATOM 0 H2' DT A 10 -9.736 10.978 15.204 1.00 0.00 H new ATOM 0 H2'' DT A 10 -11.000 9.981 15.897 1.00 0.00 H new ATOM 0 HO3' DT A 10 -12.697 9.303 14.314 1.00 0.00 H new ATOM 0 H1' DT A 10 -9.806 7.948 15.504 1.00 0.00 H new ATOM 0 H3 DT A 10 -7.039 8.079 18.927 1.00 0.00 H new ATOM 0 H71 DT A 10 -4.354 11.255 16.907 1.00 0.00 H new ATOM 0 H72 DT A 10 -4.138 10.345 15.393 1.00 0.00 H new ATOM 0 H73 DT A 10 -5.259 11.726 15.449 1.00 0.00 H new ATOM 0 H6 DT A 10 -7.148 10.431 14.713 1.00 0.00 H new TER 316 DT A 10 HETATM 317 NA NA A 101 6.177 -2.001 11.846 1.00 0.00 NA HETATM 318 NA NA A 102 -9.127 6.433 12.676 1.00 0.00 NA HETATM 319 NA NA A 103 -2.716 8.259 17.954 1.00 0.00 NA HETATM 320 NA NA A 104 -9.859 0.405 12.877 1.00 0.00 NA HETATM 321 NA NA A 105 0.323 -2.688 8.839 1.00 0.00 NA HETATM 322 NA NA A 106 -5.769 9.365 7.489 1.00 0.00 NA HETATM 323 NA NA A 107 8.766 -1.248 9.931 1.00 0.00 NA HETATM 324 NA NA A 108 1.700 -5.883 13.003 1.00 0.00 NA HETATM 325 NA NA A 109 2.227 6.742 4.308 1.00 0.00 NA