USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=5 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 150:sc= -0.314 (180deg=-0.314) USER MOD Single : A 4 DT C7 :methyl -30:sc= -2.99 (180deg=-5.72) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.46 (180deg=-0.46) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.186 (180deg=-0.713) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= -1.2 (180deg=-4.65!) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.967 9.577 0.024 1.00 0.00 O ATOM 2 C5' DG A 1 -3.162 8.524 0.973 1.00 0.00 C ATOM 3 C4' DG A 1 -2.479 8.835 2.316 1.00 0.00 C ATOM 4 O4' DG A 1 -2.682 7.778 3.266 1.00 0.00 O ATOM 5 C3' DG A 1 -0.981 9.000 2.229 1.00 0.00 C ATOM 6 O3' DG A 1 -0.491 9.816 3.302 1.00 0.00 O ATOM 7 C2' DG A 1 -0.538 7.585 2.312 1.00 0.00 C ATOM 8 C1' DG A 1 -1.430 7.078 3.388 1.00 0.00 C ATOM 9 N9 DG A 1 -1.612 5.630 3.353 1.00 0.00 N ATOM 10 C8 DG A 1 -1.345 4.764 4.334 1.00 0.00 C ATOM 11 N7 DG A 1 -1.593 3.508 4.091 1.00 0.00 N ATOM 12 C5 DG A 1 -2.083 3.565 2.784 1.00 0.00 C ATOM 13 C6 DG A 1 -2.536 2.526 1.929 1.00 0.00 C ATOM 14 O6 DG A 1 -2.596 1.323 2.165 1.00 0.00 O ATOM 15 N1 DG A 1 -2.944 3.021 0.696 1.00 0.00 N ATOM 16 C2 DG A 1 -2.917 4.356 0.333 1.00 0.00 C ATOM 17 N2 DG A 1 -3.340 4.682 -0.882 1.00 0.00 N ATOM 18 N3 DG A 1 -2.493 5.327 1.134 1.00 0.00 N ATOM 19 C4 DG A 1 -2.095 4.862 2.333 1.00 0.00 C ATOM 0 H5' DG A 1 -2.765 7.592 0.570 1.00 0.00 H new ATOM 0 H5'' DG A 1 -4.229 8.372 1.134 1.00 0.00 H new ATOM 0 H4' DG A 1 -2.940 9.774 2.621 1.00 0.00 H new ATOM 0 H3' DG A 1 -0.616 9.510 1.338 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.680 7.052 1.372 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.517 7.496 2.573 1.00 0.00 H new ATOM 0 HO5' DG A 1 -3.412 9.345 -0.818 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.971 7.270 4.358 1.00 0.00 H new ATOM 0 H8 DG A 1 -0.943 5.089 5.282 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.289 2.351 0.008 1.00 0.00 H new ATOM 0 H21 DG A 1 -3.333 5.658 -1.180 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.672 3.957 -1.518 1.00 0.00 H new ATOM 32 P DG A 2 0.573 11.008 3.070 1.00 0.00 P ATOM 33 OP1 DG A 2 0.545 11.875 4.271 1.00 0.00 O ATOM 34 OP2 DG A 2 0.326 11.598 1.735 1.00 0.00 O ATOM 35 O5' DG A 2 1.992 10.241 3.015 1.00 0.00 O ATOM 36 C5' DG A 2 2.765 9.903 4.177 1.00 0.00 C ATOM 37 C4' DG A 2 3.759 8.785 3.864 1.00 0.00 C ATOM 38 O4' DG A 2 3.084 7.578 3.528 1.00 0.00 O ATOM 39 C3' DG A 2 4.749 9.118 2.752 1.00 0.00 C ATOM 40 O3' DG A 2 6.055 9.372 3.303 1.00 0.00 O ATOM 41 C2' DG A 2 4.579 7.897 1.845 1.00 0.00 C ATOM 42 C1' DG A 2 3.994 6.826 2.731 1.00 0.00 C ATOM 43 N9 DG A 2 3.161 5.866 2.017 1.00 0.00 N ATOM 44 C8 DG A 2 2.291 6.123 1.023 1.00 0.00 C ATOM 45 N7 DG A 2 1.646 5.107 0.554 1.00 0.00 N ATOM 46 C5 DG A 2 2.140 4.061 1.321 1.00 0.00 C ATOM 47 C6 DG A 2 1.814 2.690 1.279 1.00 0.00 C ATOM 48 O6 DG A 2 1.011 2.134 0.537 1.00 0.00 O ATOM 49 N1 DG A 2 2.536 1.973 2.219 1.00 0.00 N ATOM 50 C2 DG A 2 3.460 2.507 3.094 1.00 0.00 C ATOM 51 N2 DG A 2 4.050 1.657 3.935 1.00 0.00 N ATOM 52 N3 DG A 2 3.768 3.803 3.134 1.00 0.00 N ATOM 53 C4 DG A 2 3.071 4.516 2.222 1.00 0.00 C ATOM 0 H5' DG A 2 2.101 9.590 4.982 1.00 0.00 H new ATOM 0 H5'' DG A 2 3.301 10.784 4.531 1.00 0.00 H new ATOM 0 H4' DG A 2 4.334 8.662 4.782 1.00 0.00 H new ATOM 0 H3' DG A 2 4.589 10.035 2.185 1.00 0.00 H new ATOM 0 H2' DG A 2 3.919 8.118 1.006 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.534 7.582 1.425 1.00 0.00 H new ATOM 0 H1' DG A 2 4.786 6.268 3.230 1.00 0.00 H new ATOM 0 H8 DG A 2 2.141 7.121 0.639 1.00 0.00 H new ATOM 0 H1 DG A 2 2.371 0.968 2.269 1.00 0.00 H new ATOM 0 H21 DG A 2 4.741 1.998 4.603 1.00 0.00 H new ATOM 0 H22 DG A 2 3.810 0.666 3.910 1.00 0.00 H new ATOM 65 P DT A 3 7.165 8.291 3.777 1.00 0.00 P ATOM 66 OP1 DT A 3 6.483 7.072 4.267 1.00 0.00 O ATOM 67 OP2 DT A 3 8.148 8.982 4.641 1.00 0.00 O ATOM 68 O5' DT A 3 7.871 7.951 2.375 1.00 0.00 O ATOM 69 C5' DT A 3 8.538 8.983 1.637 1.00 0.00 C ATOM 70 C4' DT A 3 9.002 8.494 0.264 1.00 0.00 C ATOM 71 O4' DT A 3 9.941 7.414 0.417 1.00 0.00 O ATOM 72 C3' DT A 3 7.833 7.996 -0.606 1.00 0.00 C ATOM 73 O3' DT A 3 7.473 9.024 -1.537 1.00 0.00 O ATOM 74 C2' DT A 3 8.465 6.844 -1.345 1.00 0.00 C ATOM 75 C1' DT A 3 9.540 6.316 -0.416 1.00 0.00 C ATOM 76 N1 DT A 3 9.228 5.079 0.346 1.00 0.00 N ATOM 77 C2 DT A 3 9.657 3.867 -0.189 1.00 0.00 C ATOM 78 O2 DT A 3 10.263 3.782 -1.256 1.00 0.00 O ATOM 79 N3 DT A 3 9.365 2.737 0.553 1.00 0.00 N ATOM 80 C4 DT A 3 8.694 2.702 1.761 1.00 0.00 C ATOM 81 O4 DT A 3 8.492 1.629 2.327 1.00 0.00 O ATOM 82 C5 DT A 3 8.285 4.004 2.244 1.00 0.00 C ATOM 83 C7 DT A 3 7.536 4.116 3.575 1.00 0.00 C ATOM 84 C6 DT A 3 8.554 5.125 1.540 1.00 0.00 C ATOM 0 H5' DT A 3 9.398 9.338 2.205 1.00 0.00 H new ATOM 0 H5'' DT A 3 7.866 9.832 1.512 1.00 0.00 H new ATOM 0 H4' DT A 3 9.466 9.347 -0.232 1.00 0.00 H new ATOM 0 H3' DT A 3 6.935 7.728 -0.049 1.00 0.00 H new ATOM 0 H2' DT A 3 7.730 6.073 -1.574 1.00 0.00 H new ATOM 0 H2'' DT A 3 8.891 7.171 -2.294 1.00 0.00 H new ATOM 0 H1' DT A 3 10.363 5.955 -1.033 1.00 0.00 H new ATOM 0 H3 DT A 3 9.675 1.843 0.172 1.00 0.00 H new ATOM 0 H71 DT A 3 7.764 5.075 4.041 1.00 0.00 H new ATOM 0 H72 DT A 3 6.463 4.045 3.396 1.00 0.00 H new ATOM 0 H73 DT A 3 7.847 3.308 4.237 1.00 0.00 H new ATOM 0 H6 DT A 3 8.231 6.080 1.926 1.00 0.00 H new ATOM 97 P DT A 4 6.074 9.821 -1.495 1.00 0.00 P ATOM 98 OP1 DT A 4 6.239 11.066 -2.280 1.00 0.00 O ATOM 99 OP2 DT A 4 5.622 9.900 -0.089 1.00 0.00 O ATOM 100 O5' DT A 4 5.077 8.836 -2.299 1.00 0.00 O ATOM 101 C5' DT A 4 5.035 8.791 -3.734 1.00 0.00 C ATOM 102 C4' DT A 4 4.053 7.721 -4.239 1.00 0.00 C ATOM 103 O4' DT A 4 4.404 6.371 -3.989 1.00 0.00 O ATOM 104 C3' DT A 4 2.587 7.924 -3.846 1.00 0.00 C ATOM 105 O3' DT A 4 1.635 7.869 -4.922 1.00 0.00 O ATOM 106 C2' DT A 4 2.367 6.736 -3.002 1.00 0.00 C ATOM 107 C1' DT A 4 3.197 5.677 -3.663 1.00 0.00 C ATOM 108 N1 DT A 4 3.556 4.611 -2.745 1.00 0.00 N ATOM 109 C2 DT A 4 3.003 3.349 -2.865 1.00 0.00 C ATOM 110 O2 DT A 4 2.199 3.046 -3.746 1.00 0.00 O ATOM 111 N3 DT A 4 3.423 2.435 -1.926 1.00 0.00 N ATOM 112 C4 DT A 4 4.326 2.677 -0.902 1.00 0.00 C ATOM 113 O4 DT A 4 4.612 1.770 -0.125 1.00 0.00 O ATOM 114 C5 DT A 4 4.846 4.038 -0.868 1.00 0.00 C ATOM 115 C7 DT A 4 5.849 4.430 0.213 1.00 0.00 C ATOM 116 C6 DT A 4 4.443 4.942 -1.787 1.00 0.00 C ATOM 0 H5' DT A 4 6.032 8.582 -4.121 1.00 0.00 H new ATOM 0 H5'' DT A 4 4.741 9.767 -4.121 1.00 0.00 H new ATOM 0 H4' DT A 4 4.153 7.896 -5.310 1.00 0.00 H new ATOM 0 H3' DT A 4 2.439 8.912 -3.409 1.00 0.00 H new ATOM 0 H2' DT A 4 2.684 6.910 -1.974 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.314 6.457 -2.968 1.00 0.00 H new ATOM 0 H1' DT A 4 2.665 5.224 -4.500 1.00 0.00 H new ATOM 0 H3 DT A 4 3.035 1.494 -1.989 1.00 0.00 H new ATOM 0 H71 DT A 4 5.667 3.838 1.110 1.00 0.00 H new ATOM 0 H72 DT A 4 6.861 4.244 -0.145 1.00 0.00 H new ATOM 0 H73 DT A 4 5.736 5.489 0.447 1.00 0.00 H new ATOM 0 H6 DT A 4 4.838 5.946 -1.753 1.00 0.00 H new ATOM 129 P DG A 5 1.274 9.055 -5.952 1.00 0.00 P ATOM 130 OP1 DG A 5 2.304 9.089 -7.015 1.00 0.00 O ATOM 131 OP2 DG A 5 0.964 10.280 -5.181 1.00 0.00 O ATOM 132 O5' DG A 5 -0.093 8.498 -6.607 1.00 0.00 O ATOM 133 C5' DG A 5 -1.350 8.462 -5.914 1.00 0.00 C ATOM 134 C4' DG A 5 -2.238 7.340 -6.489 1.00 0.00 C ATOM 135 O4' DG A 5 -1.642 6.042 -6.294 1.00 0.00 O ATOM 136 C3' DG A 5 -3.679 7.185 -5.970 1.00 0.00 C ATOM 137 O3' DG A 5 -4.574 7.106 -7.095 1.00 0.00 O ATOM 138 C2' DG A 5 -3.573 6.017 -5.033 1.00 0.00 C ATOM 139 C1' DG A 5 -2.644 5.131 -5.808 1.00 0.00 C ATOM 140 N9 DG A 5 -2.028 4.027 -5.071 1.00 0.00 N ATOM 141 C8 DG A 5 -1.936 2.740 -5.446 1.00 0.00 C ATOM 142 N7 DG A 5 -1.326 1.930 -4.623 1.00 0.00 N ATOM 143 C5 DG A 5 -0.981 2.801 -3.584 1.00 0.00 C ATOM 144 C6 DG A 5 -0.293 2.552 -2.367 1.00 0.00 C ATOM 145 O6 DG A 5 0.154 1.487 -1.958 1.00 0.00 O ATOM 146 N1 DG A 5 -0.154 3.704 -1.609 1.00 0.00 N ATOM 147 C2 DG A 5 -0.625 4.950 -1.978 1.00 0.00 C ATOM 148 N2 DG A 5 -0.422 5.957 -1.138 1.00 0.00 N ATOM 149 N3 DG A 5 -1.270 5.188 -3.115 1.00 0.00 N ATOM 150 C4 DG A 5 -1.409 4.076 -3.860 1.00 0.00 C ATOM 0 H5' DG A 5 -1.856 9.423 -6.011 1.00 0.00 H new ATOM 0 H5'' DG A 5 -1.183 8.296 -4.850 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.303 7.675 -7.524 1.00 0.00 H new ATOM 0 H3' DG A 5 -4.114 8.013 -5.411 1.00 0.00 H new ATOM 0 H2' DG A 5 -3.164 6.299 -4.063 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.538 5.545 -4.847 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.205 4.601 -6.578 1.00 0.00 H new ATOM 0 H8 DG A 5 -2.347 2.392 -6.382 1.00 0.00 H new ATOM 0 H1 DG A 5 0.331 3.627 -0.715 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.754 6.892 -1.373 1.00 0.00 H new ATOM 0 H22 DG A 5 0.066 5.796 -0.257 1.00 0.00 H new ATOM 162 P DG A 6 -6.159 6.835 -6.951 1.00 0.00 P ATOM 163 OP1 DG A 6 -6.819 7.091 -8.253 1.00 0.00 O ATOM 164 OP2 DG A 6 -6.661 7.499 -5.727 1.00 0.00 O ATOM 165 O5' DG A 6 -6.124 5.257 -6.684 1.00 0.00 O ATOM 166 C5' DG A 6 -6.007 4.295 -7.736 1.00 0.00 C ATOM 167 C4' DG A 6 -6.242 2.907 -7.164 1.00 0.00 C ATOM 168 O4' DG A 6 -5.179 2.372 -6.375 1.00 0.00 O ATOM 169 C3' DG A 6 -7.582 2.592 -6.543 1.00 0.00 C ATOM 170 O3' DG A 6 -8.115 1.514 -7.264 1.00 0.00 O ATOM 171 C2' DG A 6 -7.105 2.206 -5.211 1.00 0.00 C ATOM 172 C1' DG A 6 -5.808 1.530 -5.415 1.00 0.00 C ATOM 173 N9 DG A 6 -5.032 1.509 -4.190 1.00 0.00 N ATOM 174 C8 DG A 6 -4.667 2.591 -3.492 1.00 0.00 C ATOM 175 N7 DG A 6 -3.983 2.364 -2.414 1.00 0.00 N ATOM 176 C5 DG A 6 -3.895 0.976 -2.409 1.00 0.00 C ATOM 177 C6 DG A 6 -3.271 0.130 -1.483 1.00 0.00 C ATOM 178 O6 DG A 6 -2.678 0.466 -0.464 1.00 0.00 O ATOM 179 N1 DG A 6 -3.398 -1.206 -1.838 1.00 0.00 N ATOM 180 C2 DG A 6 -4.060 -1.672 -2.958 1.00 0.00 C ATOM 181 N2 DG A 6 -4.100 -2.986 -3.175 1.00 0.00 N ATOM 182 N3 DG A 6 -4.661 -0.863 -3.832 1.00 0.00 N ATOM 183 C4 DG A 6 -4.534 0.439 -3.496 1.00 0.00 C ATOM 0 H5' DG A 6 -5.018 4.353 -8.191 1.00 0.00 H new ATOM 0 H5'' DG A 6 -6.732 4.506 -8.522 1.00 0.00 H new ATOM 0 H4' DG A 6 -6.261 2.373 -8.114 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.357 3.358 -6.527 1.00 0.00 H new ATOM 0 H2' DG A 6 -6.991 3.080 -4.570 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.817 1.542 -4.720 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.907 0.490 -5.725 1.00 0.00 H new ATOM 0 H8 DG A 6 -4.926 3.591 -3.807 1.00 0.00 H new ATOM 0 H1 DG A 6 -2.969 -1.898 -1.224 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.583 -3.353 -3.995 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.648 -3.625 -2.521 1.00 0.00 H new ATOM 195 P DT A 7 -8.795 1.608 -8.716 1.00 0.00 P ATOM 196 OP1 DT A 7 -7.768 1.417 -9.763 1.00 0.00 O ATOM 197 OP2 DT A 7 -9.778 2.715 -8.788 1.00 0.00 O ATOM 198 O5' DT A 7 -9.515 0.232 -8.400 1.00 0.00 O ATOM 199 C5' DT A 7 -10.622 0.168 -7.507 1.00 0.00 C ATOM 200 C4' DT A 7 -10.574 -1.062 -6.635 1.00 0.00 C ATOM 201 O4' DT A 7 -10.420 -2.219 -7.435 1.00 0.00 O ATOM 202 C3' DT A 7 -9.669 -1.118 -5.409 1.00 0.00 C ATOM 203 O3' DT A 7 -10.305 -1.952 -4.433 1.00 0.00 O ATOM 204 C2' DT A 7 -8.546 -1.870 -6.047 1.00 0.00 C ATOM 205 C1' DT A 7 -9.245 -2.866 -6.972 1.00 0.00 C ATOM 206 N1 DT A 7 -8.439 -3.127 -8.169 1.00 0.00 N ATOM 207 C2 DT A 7 -7.942 -4.399 -8.372 1.00 0.00 C ATOM 208 O2 DT A 7 -8.144 -5.329 -7.592 1.00 0.00 O ATOM 209 N3 DT A 7 -7.199 -4.571 -9.520 1.00 0.00 N ATOM 210 C4 DT A 7 -6.914 -3.598 -10.462 1.00 0.00 C ATOM 211 O4 DT A 7 -6.235 -3.881 -11.447 1.00 0.00 O ATOM 212 C5 DT A 7 -7.474 -2.291 -10.172 1.00 0.00 C ATOM 213 C7 DT A 7 -7.192 -1.161 -11.182 1.00 0.00 C ATOM 214 C6 DT A 7 -8.214 -2.101 -9.041 1.00 0.00 C ATOM 0 H5' DT A 7 -11.550 0.171 -8.079 1.00 0.00 H new ATOM 0 H5'' DT A 7 -10.632 1.058 -6.878 1.00 0.00 H new ATOM 0 H4' DT A 7 -11.545 -1.006 -6.143 1.00 0.00 H new ATOM 0 H3' DT A 7 -9.413 -0.180 -4.917 1.00 0.00 H new ATOM 0 H2' DT A 7 -7.886 -1.205 -6.603 1.00 0.00 H new ATOM 0 H2'' DT A 7 -7.933 -2.379 -5.303 1.00 0.00 H new ATOM 0 H1' DT A 7 -9.424 -3.797 -6.434 1.00 0.00 H new ATOM 0 H3 DT A 7 -6.824 -5.504 -9.692 1.00 0.00 H new ATOM 0 H71 DT A 7 -8.022 -0.454 -11.178 1.00 0.00 H new ATOM 0 H72 DT A 7 -6.274 -0.644 -10.903 1.00 0.00 H new ATOM 0 H73 DT A 7 -7.081 -1.585 -12.180 1.00 0.00 H new ATOM 0 H6 DT A 7 -8.627 -1.125 -8.833 1.00 0.00 H new ATOM 227 P DG A 8 -10.591 -1.515 -2.912 1.00 0.00 P ATOM 228 OP1 DG A 8 -11.426 -2.563 -2.286 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.051 -0.108 -2.911 1.00 0.00 O ATOM 230 O5' DG A 8 -9.136 -1.571 -2.234 1.00 0.00 O ATOM 231 C5' DG A 8 -8.447 -2.774 -1.857 1.00 0.00 C ATOM 232 C4' DG A 8 -7.388 -2.360 -0.762 1.00 0.00 C ATOM 233 O4' DG A 8 -6.353 -1.371 -0.998 1.00 0.00 O ATOM 234 C3' DG A 8 -7.939 -2.162 0.627 1.00 0.00 C ATOM 235 O3' DG A 8 -7.284 -3.101 1.479 1.00 0.00 O ATOM 236 C2' DG A 8 -7.627 -0.723 0.702 1.00 0.00 C ATOM 237 C1' DG A 8 -6.297 -0.436 0.112 1.00 0.00 C ATOM 238 N9 DG A 8 -6.464 0.885 -0.465 1.00 0.00 N ATOM 239 C8 DG A 8 -6.858 1.153 -1.715 1.00 0.00 C ATOM 240 N7 DG A 8 -6.961 2.416 -2.021 1.00 0.00 N ATOM 241 C5 DG A 8 -6.584 3.036 -0.819 1.00 0.00 C ATOM 242 C6 DG A 8 -6.482 4.415 -0.484 1.00 0.00 C ATOM 243 O6 DG A 8 -6.695 5.388 -1.198 1.00 0.00 O ATOM 244 N1 DG A 8 -6.070 4.594 0.834 1.00 0.00 N ATOM 245 C2 DG A 8 -5.788 3.572 1.720 1.00 0.00 C ATOM 246 N2 DG A 8 -5.393 3.911 2.943 1.00 0.00 N ATOM 247 N3 DG A 8 -5.882 2.282 1.407 1.00 0.00 N ATOM 248 C4 DG A 8 -6.281 2.095 0.131 1.00 0.00 C ATOM 0 H5' DG A 8 -7.957 -3.227 -2.719 1.00 0.00 H new ATOM 0 H5'' DG A 8 -9.144 -3.513 -1.462 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.839 -3.295 -0.873 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.977 -2.349 0.901 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.393 -0.153 0.176 1.00 0.00 H new ATOM 0 H2'' DG A 8 -7.645 -0.397 1.742 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.417 -0.497 0.752 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.077 0.371 -2.427 1.00 0.00 H new ATOM 0 H1 DG A 8 -5.969 5.552 1.171 1.00 0.00 H new ATOM 0 H21 DG A 8 -5.175 3.187 3.628 1.00 0.00 H new ATOM 0 H22 DG A 8 -5.308 4.895 3.197 1.00 0.00 H new ATOM 260 P DT A 9 -7.847 -4.632 1.466 1.00 0.00 P ATOM 261 OP1 DT A 9 -8.329 -4.975 0.108 1.00 0.00 O ATOM 262 OP2 DT A 9 -8.759 -4.791 2.619 1.00 0.00 O ATOM 263 O5' DT A 9 -6.523 -5.494 1.739 1.00 0.00 O ATOM 264 C5' DT A 9 -5.477 -5.686 0.778 1.00 0.00 C ATOM 265 C4' DT A 9 -4.092 -5.850 1.631 1.00 0.00 C ATOM 266 O4' DT A 9 -3.731 -4.738 2.505 1.00 0.00 O ATOM 267 C3' DT A 9 -3.869 -7.036 2.621 1.00 0.00 C ATOM 268 O3' DT A 9 -2.490 -7.463 2.670 1.00 0.00 O ATOM 269 C2' DT A 9 -4.284 -6.405 3.938 1.00 0.00 C ATOM 270 C1' DT A 9 -3.561 -5.084 3.922 1.00 0.00 C ATOM 271 N1 DT A 9 -4.087 -3.986 4.775 1.00 0.00 N ATOM 272 C2 DT A 9 -3.598 -3.782 6.061 1.00 0.00 C ATOM 273 O2 DT A 9 -2.755 -4.509 6.584 1.00 0.00 O ATOM 274 N3 DT A 9 -4.131 -2.694 6.738 1.00 0.00 N ATOM 275 C4 DT A 9 -5.087 -1.814 6.254 1.00 0.00 C ATOM 276 O4 DT A 9 -5.474 -0.874 6.943 1.00 0.00 O ATOM 277 C5 DT A 9 -5.533 -2.113 4.911 1.00 0.00 C ATOM 278 C7 DT A 9 -6.579 -1.223 4.237 1.00 0.00 C ATOM 279 C6 DT A 9 -5.023 -3.169 4.243 1.00 0.00 C ATOM 0 H5' DT A 9 -5.415 -4.838 0.096 1.00 0.00 H new ATOM 0 H5'' DT A 9 -5.666 -6.571 0.170 1.00 0.00 H new ATOM 0 H4' DT A 9 -3.507 -5.981 0.721 1.00 0.00 H new ATOM 0 H3' DT A 9 -4.420 -7.936 2.348 1.00 0.00 H new ATOM 0 H2' DT A 9 -5.364 -6.273 4.000 1.00 0.00 H new ATOM 0 H2'' DT A 9 -3.988 -7.017 4.790 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.554 -5.187 4.326 1.00 0.00 H new ATOM 0 H3 DT A 9 -3.786 -2.525 7.683 1.00 0.00 H new ATOM 0 H71 DT A 9 -7.236 -0.796 4.995 1.00 0.00 H new ATOM 0 H72 DT A 9 -6.079 -0.420 3.696 1.00 0.00 H new ATOM 0 H73 DT A 9 -7.168 -1.818 3.539 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.377 -3.369 3.243 1.00 0.00 H new ATOM 292 P DG A 10 -1.976 -8.911 2.149 1.00 0.00 P ATOM 293 OP1 DG A 10 -3.104 -9.866 2.255 1.00 0.00 O ATOM 294 OP2 DG A 10 -0.696 -9.225 2.822 1.00 0.00 O ATOM 295 O5' DG A 10 -1.668 -8.652 0.583 1.00 0.00 O ATOM 296 C5' DG A 10 -2.473 -9.258 -0.432 1.00 0.00 C ATOM 297 C4' DG A 10 -2.009 -8.958 -1.851 1.00 0.00 C ATOM 298 O4' DG A 10 -2.244 -7.602 -2.190 1.00 0.00 O ATOM 299 C3' DG A 10 -0.528 -9.234 -2.120 1.00 0.00 C ATOM 300 O3' DG A 10 -0.384 -9.862 -3.401 1.00 0.00 O ATOM 301 C2' DG A 10 0.088 -7.857 -2.021 1.00 0.00 C ATOM 302 C1' DG A 10 -1.013 -7.088 -2.682 1.00 0.00 C ATOM 303 N9 DG A 10 -1.040 -5.659 -2.488 1.00 0.00 N ATOM 304 C8 DG A 10 -1.454 -4.789 -3.411 1.00 0.00 C ATOM 305 N7 DG A 10 -1.446 -3.544 -3.074 1.00 0.00 N ATOM 306 C5 DG A 10 -0.963 -3.608 -1.769 1.00 0.00 C ATOM 307 C6 DG A 10 -0.725 -2.565 -0.860 1.00 0.00 C ATOM 308 O6 DG A 10 -0.909 -1.367 -1.021 1.00 0.00 O ATOM 309 N1 DG A 10 -0.243 -3.001 0.342 1.00 0.00 N ATOM 310 C2 DG A 10 -0.010 -4.328 0.665 1.00 0.00 C ATOM 311 N2 DG A 10 0.443 -4.608 1.891 1.00 0.00 N ATOM 312 N3 DG A 10 -0.234 -5.335 -0.196 1.00 0.00 N ATOM 313 C4 DG A 10 -0.708 -4.900 -1.391 1.00 0.00 C ATOM 0 H5' DG A 10 -3.502 -8.917 -0.317 1.00 0.00 H new ATOM 0 H5'' DG A 10 -2.477 -10.338 -0.282 1.00 0.00 H new ATOM 0 H4' DG A 10 -2.597 -9.643 -2.462 1.00 0.00 H new ATOM 0 H3' DG A 10 -0.042 -9.924 -1.431 1.00 0.00 H new ATOM 0 H2' DG A 10 0.267 -7.544 -0.992 1.00 0.00 H new ATOM 0 H2'' DG A 10 1.039 -7.777 -2.548 1.00 0.00 H new ATOM 0 H1' DG A 10 -0.841 -7.222 -3.750 1.00 0.00 H new ATOM 0 H8 DG A 10 -1.779 -5.111 -4.389 1.00 0.00 H new ATOM 0 H1 DG A 10 -0.040 -2.298 1.053 1.00 0.00 H new ATOM 0 H21 DG A 10 0.624 -5.575 2.159 1.00 0.00 H new ATOM 0 H22 DG A 10 0.607 -3.854 2.558 1.00 0.00 H new ATOM 325 P DG A 11 1.034 -10.364 -3.977 1.00 0.00 P ATOM 326 OP1 DG A 11 0.764 -11.402 -4.998 1.00 0.00 O ATOM 327 OP2 DG A 11 1.923 -10.668 -2.833 1.00 0.00 O ATOM 328 O5' DG A 11 1.599 -9.047 -4.717 1.00 0.00 O ATOM 329 C5' DG A 11 1.105 -8.643 -6.001 1.00 0.00 C ATOM 330 C4' DG A 11 1.668 -7.280 -6.425 1.00 0.00 C ATOM 331 O4' DG A 11 1.212 -6.210 -5.606 1.00 0.00 O ATOM 332 C3' DG A 11 3.187 -7.242 -6.514 1.00 0.00 C ATOM 333 O3' DG A 11 3.546 -7.391 -7.894 1.00 0.00 O ATOM 334 C2' DG A 11 3.520 -5.945 -5.755 1.00 0.00 C ATOM 335 C1' DG A 11 2.214 -5.196 -5.659 1.00 0.00 C ATOM 336 N9 DG A 11 2.112 -4.479 -4.400 1.00 0.00 N ATOM 337 C8 DG A 11 2.429 -4.934 -3.168 1.00 0.00 C ATOM 338 N7 DG A 11 2.319 -4.073 -2.208 1.00 0.00 N ATOM 339 C5 DG A 11 1.873 -2.937 -2.881 1.00 0.00 C ATOM 340 C6 DG A 11 1.567 -1.662 -2.378 1.00 0.00 C ATOM 341 O6 DG A 11 1.674 -1.267 -1.224 1.00 0.00 O ATOM 342 N1 DG A 11 1.141 -0.801 -3.367 1.00 0.00 N ATOM 343 C2 DG A 11 1.024 -1.112 -4.700 1.00 0.00 C ATOM 344 N2 DG A 11 0.563 -0.142 -5.496 1.00 0.00 N ATOM 345 N3 DG A 11 1.323 -2.320 -5.190 1.00 0.00 N ATOM 346 C4 DG A 11 1.736 -3.177 -4.223 1.00 0.00 C ATOM 0 H5' DG A 11 0.016 -8.594 -5.973 1.00 0.00 H new ATOM 0 H5'' DG A 11 1.371 -9.394 -6.745 1.00 0.00 H new ATOM 0 H4' DG A 11 1.274 -7.139 -7.432 1.00 0.00 H new ATOM 0 H3' DG A 11 3.778 -8.036 -6.057 1.00 0.00 H new ATOM 0 H2' DG A 11 3.924 -6.160 -4.766 1.00 0.00 H new ATOM 0 H2'' DG A 11 4.271 -5.360 -6.286 1.00 0.00 H new ATOM 0 H1' DG A 11 2.122 -4.493 -6.487 1.00 0.00 H new ATOM 0 H8 DG A 11 2.753 -5.950 -2.996 1.00 0.00 H new ATOM 0 H1 DG A 11 0.892 0.147 -3.085 1.00 0.00 H new ATOM 0 H21 DG A 11 0.454 -0.312 -6.496 1.00 0.00 H new ATOM 0 H22 DG A 11 0.321 0.768 -5.103 1.00 0.00 H new ATOM 358 P DT A 12 3.891 -6.216 -8.932 1.00 0.00 P ATOM 359 OP1 DT A 12 2.994 -5.065 -8.686 1.00 0.00 O ATOM 360 OP2 DT A 12 3.996 -6.800 -10.289 1.00 0.00 O ATOM 361 O5' DT A 12 5.365 -5.862 -8.406 1.00 0.00 O ATOM 362 C5' DT A 12 6.392 -6.866 -8.425 1.00 0.00 C ATOM 363 C4' DT A 12 7.710 -6.312 -7.923 1.00 0.00 C ATOM 364 O4' DT A 12 7.998 -5.159 -8.721 1.00 0.00 O ATOM 365 C3' DT A 12 7.665 -5.903 -6.442 1.00 0.00 C ATOM 366 O3' DT A 12 8.649 -6.640 -5.711 1.00 0.00 O ATOM 367 C2' DT A 12 8.032 -4.433 -6.438 1.00 0.00 C ATOM 368 C1' DT A 12 8.253 -4.032 -7.883 1.00 0.00 C ATOM 369 N1 DT A 12 7.477 -2.831 -8.283 1.00 0.00 N ATOM 370 C2 DT A 12 8.193 -1.634 -8.321 1.00 0.00 C ATOM 371 O2 DT A 12 9.389 -1.555 -8.042 1.00 0.00 O ATOM 372 N3 DT A 12 7.488 -0.512 -8.693 1.00 0.00 N ATOM 373 C4 DT A 12 6.151 -0.465 -9.028 1.00 0.00 C ATOM 374 O4 DT A 12 5.637 0.605 -9.345 1.00 0.00 O ATOM 375 C5 DT A 12 5.469 -1.744 -8.965 1.00 0.00 C ATOM 376 C7 DT A 12 3.980 -1.783 -9.324 1.00 0.00 C ATOM 377 C6 DT A 12 6.125 -2.875 -8.603 1.00 0.00 C ATOM 0 H5' DT A 12 6.516 -7.244 -9.440 1.00 0.00 H new ATOM 0 H5'' DT A 12 6.090 -7.710 -7.806 1.00 0.00 H new ATOM 0 H4' DT A 12 8.474 -7.085 -8.005 1.00 0.00 H new ATOM 0 H3' DT A 12 6.693 -6.094 -5.987 1.00 0.00 H new ATOM 0 H2' DT A 12 7.237 -3.837 -5.989 1.00 0.00 H new ATOM 0 H2'' DT A 12 8.932 -4.261 -5.847 1.00 0.00 H new ATOM 0 H1' DT A 12 9.294 -3.731 -8.002 1.00 0.00 H new ATOM 0 H3 DT A 12 8.003 0.368 -8.724 1.00 0.00 H new ATOM 0 H71 DT A 12 3.733 -2.757 -9.746 1.00 0.00 H new ATOM 0 H72 DT A 12 3.385 -1.615 -8.426 1.00 0.00 H new ATOM 0 H73 DT A 12 3.762 -1.005 -10.055 1.00 0.00 H new ATOM 0 H6 DT A 12 5.594 -3.815 -8.563 1.00 0.00 H new ATOM 390 P DT A 13 8.320 -7.453 -4.356 1.00 0.00 P ATOM 391 OP1 DT A 13 9.513 -8.269 -4.035 1.00 0.00 O ATOM 392 OP2 DT A 13 7.005 -8.113 -4.515 1.00 0.00 O ATOM 393 O5' DT A 13 8.159 -6.299 -3.232 1.00 0.00 O ATOM 394 C5' DT A 13 9.122 -6.102 -2.185 1.00 0.00 C ATOM 395 C4' DT A 13 8.512 -5.428 -0.948 1.00 0.00 C ATOM 396 O4' DT A 13 8.057 -4.077 -1.196 1.00 0.00 O ATOM 397 C3' DT A 13 7.311 -6.197 -0.381 1.00 0.00 C ATOM 398 O3' DT A 13 7.288 -6.123 1.054 1.00 0.00 O ATOM 399 C2' DT A 13 6.169 -5.383 -0.939 1.00 0.00 C ATOM 400 C1' DT A 13 6.682 -3.963 -0.786 1.00 0.00 C ATOM 401 N1 DT A 13 5.916 -2.895 -1.480 1.00 0.00 N ATOM 402 C2 DT A 13 5.487 -1.812 -0.715 1.00 0.00 C ATOM 403 O2 DT A 13 5.706 -1.711 0.492 1.00 0.00 O ATOM 404 N3 DT A 13 4.786 -0.830 -1.388 1.00 0.00 N ATOM 405 C4 DT A 13 4.474 -0.829 -2.736 1.00 0.00 C ATOM 406 O4 DT A 13 3.837 0.109 -3.216 1.00 0.00 O ATOM 407 C5 DT A 13 4.959 -1.993 -3.458 1.00 0.00 C ATOM 408 C7 DT A 13 4.696 -2.128 -4.962 1.00 0.00 C ATOM 409 C6 DT A 13 5.646 -2.965 -2.822 1.00 0.00 C ATOM 0 H5' DT A 13 9.943 -5.491 -2.560 1.00 0.00 H new ATOM 0 H5'' DT A 13 9.546 -7.065 -1.899 1.00 0.00 H new ATOM 0 H4' DT A 13 9.335 -5.420 -0.233 1.00 0.00 H new ATOM 0 H3' DT A 13 7.301 -7.257 -0.633 1.00 0.00 H new ATOM 0 H2' DT A 13 5.963 -5.631 -1.980 1.00 0.00 H new ATOM 0 H2'' DT A 13 5.245 -5.544 -0.384 1.00 0.00 H new ATOM 0 H1' DT A 13 6.560 -3.607 0.237 1.00 0.00 H new ATOM 0 H3 DT A 13 4.469 -0.031 -0.840 1.00 0.00 H new ATOM 0 H71 DT A 13 3.762 -1.627 -5.214 1.00 0.00 H new ATOM 0 H72 DT A 13 5.515 -1.670 -5.517 1.00 0.00 H new ATOM 0 H73 DT A 13 4.624 -3.183 -5.226 1.00 0.00 H new ATOM 0 H6 DT A 13 5.992 -3.820 -3.385 1.00 0.00 H new ATOM 422 P DG A 14 6.336 -7.067 1.958 1.00 0.00 P ATOM 423 OP1 DG A 14 7.106 -8.279 2.317 1.00 0.00 O ATOM 424 OP2 DG A 14 5.026 -7.199 1.281 1.00 0.00 O ATOM 425 O5' DG A 14 6.099 -6.185 3.289 1.00 0.00 O ATOM 426 C5' DG A 14 6.785 -6.381 4.535 1.00 0.00 C ATOM 427 C4' DG A 14 5.911 -5.950 5.717 1.00 0.00 C ATOM 428 O4' DG A 14 5.590 -4.543 5.633 1.00 0.00 O ATOM 429 C3' DG A 14 4.576 -6.713 5.781 1.00 0.00 C ATOM 430 O3' DG A 14 4.160 -6.950 7.139 1.00 0.00 O ATOM 431 C2' DG A 14 3.699 -5.742 5.026 1.00 0.00 C ATOM 432 C1' DG A 14 4.164 -4.388 5.540 1.00 0.00 C ATOM 433 N9 DG A 14 3.772 -3.249 4.679 1.00 0.00 N ATOM 434 C8 DG A 14 3.595 -1.944 5.029 1.00 0.00 C ATOM 435 N7 DG A 14 3.235 -1.138 4.078 1.00 0.00 N ATOM 436 C5 DG A 14 3.163 -1.986 2.978 1.00 0.00 C ATOM 437 C6 DG A 14 2.818 -1.693 1.636 1.00 0.00 C ATOM 438 O6 DG A 14 2.508 -0.610 1.157 1.00 0.00 O ATOM 439 N1 DG A 14 2.862 -2.817 0.835 1.00 0.00 N ATOM 440 C2 DG A 14 3.200 -4.079 1.271 1.00 0.00 C ATOM 441 N2 DG A 14 3.183 -5.040 0.358 1.00 0.00 N ATOM 442 N3 DG A 14 3.529 -4.364 2.531 1.00 0.00 N ATOM 443 C4 DG A 14 3.488 -3.273 3.330 1.00 0.00 C ATOM 0 H5' DG A 14 7.713 -5.809 4.537 1.00 0.00 H new ATOM 0 H5'' DG A 14 7.057 -7.431 4.643 1.00 0.00 H new ATOM 0 H4' DG A 14 6.498 -6.172 6.608 1.00 0.00 H new ATOM 0 H3' DG A 14 4.578 -7.721 5.365 1.00 0.00 H new ATOM 0 H2' DG A 14 3.833 -5.832 3.948 1.00 0.00 H new ATOM 0 H2'' DG A 14 2.642 -5.910 5.231 1.00 0.00 H new ATOM 0 H1' DG A 14 3.695 -4.134 6.491 1.00 0.00 H new ATOM 0 H8 DG A 14 3.746 -1.600 6.041 1.00 0.00 H new ATOM 0 H1 DG A 14 2.627 -2.704 -0.151 1.00 0.00 H new ATOM 0 H21 DG A 14 3.424 -5.996 0.619 1.00 0.00 H new ATOM 0 H22 DG A 14 2.929 -4.823 -0.606 1.00 0.00 H new ATOM 455 P DG A 15 2.621 -7.158 7.600 1.00 0.00 P ATOM 456 OP1 DG A 15 2.608 -7.945 8.854 1.00 0.00 O ATOM 457 OP2 DG A 15 1.829 -7.619 6.436 1.00 0.00 O ATOM 458 O5' DG A 15 2.170 -5.650 7.942 1.00 0.00 O ATOM 459 C5' DG A 15 2.629 -4.984 9.127 1.00 0.00 C ATOM 460 C4' DG A 15 1.637 -3.921 9.621 1.00 0.00 C ATOM 461 O4' DG A 15 1.444 -2.910 8.610 1.00 0.00 O ATOM 462 C3' DG A 15 0.242 -4.490 9.920 1.00 0.00 C ATOM 463 O3' DG A 15 -0.467 -3.608 10.797 1.00 0.00 O ATOM 464 C2' DG A 15 -0.359 -4.394 8.534 1.00 0.00 C ATOM 465 C1' DG A 15 0.114 -3.025 8.069 1.00 0.00 C ATOM 466 N9 DG A 15 0.150 -2.825 6.603 1.00 0.00 N ATOM 467 C8 DG A 15 0.664 -3.614 5.617 1.00 0.00 C ATOM 468 N7 DG A 15 0.574 -3.151 4.404 1.00 0.00 N ATOM 469 C5 DG A 15 -0.068 -1.930 4.601 1.00 0.00 C ATOM 470 C6 DG A 15 -0.454 -0.945 3.656 1.00 0.00 C ATOM 471 O6 DG A 15 -0.296 -0.967 2.437 1.00 0.00 O ATOM 472 N1 DG A 15 -1.074 0.135 4.268 1.00 0.00 N ATOM 473 C2 DG A 15 -1.299 0.262 5.624 1.00 0.00 C ATOM 474 N2 DG A 15 -1.912 1.378 6.020 1.00 0.00 N ATOM 475 N3 DG A 15 -0.937 -0.664 6.515 1.00 0.00 N ATOM 476 C4 DG A 15 -0.330 -1.726 5.937 1.00 0.00 C ATOM 0 H5' DG A 15 3.592 -4.514 8.927 1.00 0.00 H new ATOM 0 H5'' DG A 15 2.791 -5.720 9.915 1.00 0.00 H new ATOM 0 H4' DG A 15 2.075 -3.521 10.536 1.00 0.00 H new ATOM 0 H3' DG A 15 0.227 -5.475 10.387 1.00 0.00 H new ATOM 0 H2' DG A 15 -0.003 -5.191 7.881 1.00 0.00 H new ATOM 0 H2'' DG A 15 -1.447 -4.462 8.557 1.00 0.00 H new ATOM 0 HO3' DG A 15 -1.356 -3.976 10.982 1.00 0.00 H new ATOM 0 H1' DG A 15 -0.591 -2.267 8.411 1.00 0.00 H new ATOM 0 H8 DG A 15 1.120 -4.569 5.831 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.389 0.897 3.667 1.00 0.00 H new ATOM 0 H21 DG A 15 -2.106 1.530 7.010 1.00 0.00 H new ATOM 0 H22 DG A 15 -2.187 2.080 5.333 1.00 0.00 H new TER 489 DG A 15