USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=6 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 (180deg=-0.0914) USER MOD Single : A 4 DT C7 :methyl -30:sc= -7.33! (180deg=-10.2!) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.132 (180deg=-0.132) USER MOD Single : A 12 DT C7 :methyl -30:sc= -0.0467 (180deg=-0.133) USER MOD Single : A 13 DT C7 :methyl -30:sc= -3.98! (180deg=-6.04!) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -4.123 8.854 0.479 1.00 0.00 O ATOM 2 C5' DG A 1 -2.694 8.862 0.538 1.00 0.00 C ATOM 3 C4' DG A 1 -2.188 9.158 1.960 1.00 0.00 C ATOM 4 O4' DG A 1 -2.640 8.152 2.878 1.00 0.00 O ATOM 5 C3' DG A 1 -0.681 9.167 2.094 1.00 0.00 C ATOM 6 O3' DG A 1 -0.253 9.959 3.214 1.00 0.00 O ATOM 7 C2' DG A 1 -0.408 7.706 2.274 1.00 0.00 C ATOM 8 C1' DG A 1 -1.498 7.348 3.223 1.00 0.00 C ATOM 9 N9 DG A 1 -1.835 5.927 3.321 1.00 0.00 N ATOM 10 C8 DG A 1 -1.789 5.176 4.424 1.00 0.00 C ATOM 11 N7 DG A 1 -2.149 3.929 4.303 1.00 0.00 N ATOM 12 C5 DG A 1 -2.469 3.853 2.946 1.00 0.00 C ATOM 13 C6 DG A 1 -2.934 2.754 2.165 1.00 0.00 C ATOM 14 O6 DG A 1 -3.168 1.602 2.521 1.00 0.00 O ATOM 15 N1 DG A 1 -3.127 3.118 0.839 1.00 0.00 N ATOM 16 C2 DG A 1 -2.902 4.392 0.338 1.00 0.00 C ATOM 17 N2 DG A 1 -3.132 4.627 -0.944 1.00 0.00 N ATOM 18 N3 DG A 1 -2.470 5.413 1.066 1.00 0.00 N ATOM 19 C4 DG A 1 -2.276 5.076 2.348 1.00 0.00 C ATOM 0 H5' DG A 1 -2.305 9.612 -0.151 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.310 7.897 0.208 1.00 0.00 H new ATOM 0 H4' DG A 1 -2.582 10.150 2.179 1.00 0.00 H new ATOM 0 H3' DG A 1 -0.147 9.613 1.255 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.474 7.152 1.337 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.582 7.516 2.688 1.00 0.00 H new ATOM 0 HO5' DG A 1 -4.411 8.665 -0.438 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.136 7.561 4.229 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.469 5.583 5.372 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.456 2.402 0.191 1.00 0.00 H new ATOM 0 H21 DG A 1 -2.972 5.558 -1.329 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.469 3.877 -1.547 1.00 0.00 H new ATOM 32 P DG A 2 0.971 11.006 3.101 1.00 0.00 P ATOM 33 OP1 DG A 2 0.977 11.835 4.327 1.00 0.00 O ATOM 34 OP2 DG A 2 0.897 11.661 1.776 1.00 0.00 O ATOM 35 O5' DG A 2 2.273 10.051 3.113 1.00 0.00 O ATOM 36 C5' DG A 2 2.902 9.617 4.326 1.00 0.00 C ATOM 37 C4' DG A 2 3.812 8.414 4.092 1.00 0.00 C ATOM 38 O4' DG A 2 3.081 7.256 3.702 1.00 0.00 O ATOM 39 C3' DG A 2 4.947 8.648 3.105 1.00 0.00 C ATOM 40 O3' DG A 2 6.160 8.474 3.850 1.00 0.00 O ATOM 41 C2' DG A 2 4.705 7.519 2.126 1.00 0.00 C ATOM 42 C1' DG A 2 3.975 6.473 2.923 1.00 0.00 C ATOM 43 N9 DG A 2 3.144 5.602 2.109 1.00 0.00 N ATOM 44 C8 DG A 2 2.340 5.954 1.091 1.00 0.00 C ATOM 45 N7 DG A 2 1.681 4.993 0.523 1.00 0.00 N ATOM 46 C5 DG A 2 2.104 3.884 1.253 1.00 0.00 C ATOM 47 C6 DG A 2 1.747 2.526 1.121 1.00 0.00 C ATOM 48 O6 DG A 2 0.970 2.028 0.312 1.00 0.00 O ATOM 49 N1 DG A 2 2.402 1.736 2.055 1.00 0.00 N ATOM 50 C2 DG A 2 3.293 2.194 3.004 1.00 0.00 C ATOM 51 N2 DG A 2 3.835 1.304 3.834 1.00 0.00 N ATOM 52 N3 DG A 2 3.630 3.476 3.127 1.00 0.00 N ATOM 53 C4 DG A 2 3.000 4.254 2.223 1.00 0.00 C ATOM 0 H5' DG A 2 2.138 9.358 5.059 1.00 0.00 H new ATOM 0 H5'' DG A 2 3.484 10.437 4.748 1.00 0.00 H new ATOM 0 H4' DG A 2 4.273 8.251 5.066 1.00 0.00 H new ATOM 0 H3' DG A 2 5.004 9.617 2.610 1.00 0.00 H new ATOM 0 H2' DG A 2 4.112 7.853 1.275 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.643 7.131 1.729 1.00 0.00 H new ATOM 0 H1' DG A 2 4.680 5.836 3.457 1.00 0.00 H new ATOM 0 H8 DG A 2 2.248 6.979 0.765 1.00 0.00 H new ATOM 0 H1 DG A 2 2.209 0.735 2.039 1.00 0.00 H new ATOM 0 H21 DG A 2 4.497 1.609 4.547 1.00 0.00 H new ATOM 0 H22 DG A 2 3.588 0.318 3.756 1.00 0.00 H new ATOM 65 P DT A 3 7.520 9.283 3.561 1.00 0.00 P ATOM 66 OP1 DT A 3 8.425 9.083 4.715 1.00 0.00 O ATOM 67 OP2 DT A 3 7.167 10.655 3.131 1.00 0.00 O ATOM 68 O5' DT A 3 8.132 8.494 2.301 1.00 0.00 O ATOM 69 C5' DT A 3 9.070 9.114 1.415 1.00 0.00 C ATOM 70 C4' DT A 3 9.353 8.229 0.206 1.00 0.00 C ATOM 71 O4' DT A 3 9.987 6.993 0.579 1.00 0.00 O ATOM 72 C3' DT A 3 8.053 7.849 -0.511 1.00 0.00 C ATOM 73 O3' DT A 3 7.659 8.897 -1.404 1.00 0.00 O ATOM 74 C2' DT A 3 8.507 6.606 -1.227 1.00 0.00 C ATOM 75 C1' DT A 3 9.468 5.940 -0.257 1.00 0.00 C ATOM 76 N1 DT A 3 8.913 4.790 0.505 1.00 0.00 N ATOM 77 C2 DT A 3 8.925 3.541 -0.111 1.00 0.00 C ATOM 78 O2 DT A 3 9.360 3.356 -1.247 1.00 0.00 O ATOM 79 N3 DT A 3 8.408 2.494 0.629 1.00 0.00 N ATOM 80 C4 DT A 3 7.892 2.573 1.911 1.00 0.00 C ATOM 81 O4 DT A 3 7.458 1.565 2.464 1.00 0.00 O ATOM 82 C5 DT A 3 7.918 3.906 2.477 1.00 0.00 C ATOM 83 C7 DT A 3 7.383 4.133 3.894 1.00 0.00 C ATOM 84 C6 DT A 3 8.411 4.950 1.775 1.00 0.00 C ATOM 0 H5' DT A 3 10.000 9.315 1.948 1.00 0.00 H new ATOM 0 H5'' DT A 3 8.679 10.075 1.082 1.00 0.00 H new ATOM 0 H4' DT A 3 10.009 8.812 -0.440 1.00 0.00 H new ATOM 0 H3' DT A 3 7.178 7.695 0.121 1.00 0.00 H new ATOM 0 H2' DT A 3 7.666 5.954 -1.463 1.00 0.00 H new ATOM 0 H2'' DT A 3 8.998 6.848 -2.170 1.00 0.00 H new ATOM 0 H1' DT A 3 10.265 5.452 -0.817 1.00 0.00 H new ATOM 0 H3 DT A 3 8.407 1.574 0.188 1.00 0.00 H new ATOM 0 H71 DT A 3 6.594 3.411 4.105 1.00 0.00 H new ATOM 0 H72 DT A 3 8.192 4.006 4.613 1.00 0.00 H new ATOM 0 H73 DT A 3 6.981 5.143 3.974 1.00 0.00 H new ATOM 0 H6 DT A 3 8.411 5.933 2.222 1.00 0.00 H new ATOM 97 P DT A 4 6.330 9.778 -1.160 1.00 0.00 P ATOM 98 OP1 DT A 4 6.510 11.078 -1.848 1.00 0.00 O ATOM 99 OP2 DT A 4 5.995 9.751 0.282 1.00 0.00 O ATOM 100 O5' DT A 4 5.210 8.925 -1.947 1.00 0.00 O ATOM 101 C5' DT A 4 5.108 8.966 -3.375 1.00 0.00 C ATOM 102 C4' DT A 4 4.120 7.913 -3.911 1.00 0.00 C ATOM 103 O4' DT A 4 4.530 6.567 -3.771 1.00 0.00 O ATOM 104 C3' DT A 4 2.651 8.028 -3.487 1.00 0.00 C ATOM 105 O3' DT A 4 1.750 8.368 -4.562 1.00 0.00 O ATOM 106 C2' DT A 4 2.374 6.655 -2.969 1.00 0.00 C ATOM 107 C1' DT A 4 3.336 5.768 -3.732 1.00 0.00 C ATOM 108 N1 DT A 4 3.662 4.631 -2.880 1.00 0.00 N ATOM 109 C2 DT A 4 3.192 3.357 -3.136 1.00 0.00 C ATOM 110 O2 DT A 4 2.496 3.079 -4.112 1.00 0.00 O ATOM 111 N3 DT A 4 3.569 2.404 -2.208 1.00 0.00 N ATOM 112 C4 DT A 4 4.353 2.626 -1.082 1.00 0.00 C ATOM 113 O4 DT A 4 4.614 1.697 -0.320 1.00 0.00 O ATOM 114 C5 DT A 4 4.790 4.000 -0.922 1.00 0.00 C ATOM 115 C7 DT A 4 5.650 4.415 0.257 1.00 0.00 C ATOM 116 C6 DT A 4 4.434 4.926 -1.817 1.00 0.00 C ATOM 0 H5' DT A 4 6.091 8.798 -3.814 1.00 0.00 H new ATOM 0 H5'' DT A 4 4.785 9.959 -3.687 1.00 0.00 H new ATOM 0 H4' DT A 4 4.159 8.194 -4.963 1.00 0.00 H new ATOM 0 H3' DT A 4 2.493 8.834 -2.770 1.00 0.00 H new ATOM 0 H2' DT A 4 2.543 6.593 -1.894 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.339 6.364 -3.146 1.00 0.00 H new ATOM 0 H1' DT A 4 2.954 5.439 -4.698 1.00 0.00 H new ATOM 0 H3 DT A 4 3.242 1.451 -2.364 1.00 0.00 H new ATOM 0 H71 DT A 4 5.424 3.780 1.114 1.00 0.00 H new ATOM 0 H72 DT A 4 6.703 4.309 -0.005 1.00 0.00 H new ATOM 0 H73 DT A 4 5.442 5.455 0.511 1.00 0.00 H new ATOM 0 H6 DT A 4 4.776 5.942 -1.684 1.00 0.00 H new ATOM 129 P DG A 5 0.235 8.910 -4.324 1.00 0.00 P ATOM 130 OP1 DG A 5 0.103 10.157 -5.111 1.00 0.00 O ATOM 131 OP2 DG A 5 -0.012 8.952 -2.864 1.00 0.00 O ATOM 132 O5' DG A 5 -0.779 7.797 -4.965 1.00 0.00 O ATOM 133 C5' DG A 5 -1.251 7.894 -6.328 1.00 0.00 C ATOM 134 C4' DG A 5 -2.326 6.875 -6.750 1.00 0.00 C ATOM 135 O4' DG A 5 -1.834 5.553 -6.579 1.00 0.00 O ATOM 136 C3' DG A 5 -3.719 6.882 -6.156 1.00 0.00 C ATOM 137 O3' DG A 5 -4.626 6.937 -7.259 1.00 0.00 O ATOM 138 C2' DG A 5 -3.790 5.678 -5.260 1.00 0.00 C ATOM 139 C1' DG A 5 -2.829 4.725 -5.975 1.00 0.00 C ATOM 140 N9 DG A 5 -2.043 3.714 -5.240 1.00 0.00 N ATOM 141 C8 DG A 5 -1.806 2.455 -5.641 1.00 0.00 C ATOM 142 N7 DG A 5 -1.040 1.711 -4.884 1.00 0.00 N ATOM 143 C5 DG A 5 -0.738 2.609 -3.850 1.00 0.00 C ATOM 144 C6 DG A 5 0.064 2.437 -2.683 1.00 0.00 C ATOM 145 O6 DG A 5 0.685 1.453 -2.310 1.00 0.00 O ATOM 146 N1 DG A 5 0.108 3.580 -1.911 1.00 0.00 N ATOM 147 C2 DG A 5 -0.540 4.757 -2.208 1.00 0.00 C ATOM 148 N2 DG A 5 -0.393 5.740 -1.325 1.00 0.00 N ATOM 149 N3 DG A 5 -1.293 4.933 -3.294 1.00 0.00 N ATOM 150 C4 DG A 5 -1.348 3.826 -4.066 1.00 0.00 C ATOM 0 H5' DG A 5 -0.396 7.786 -6.995 1.00 0.00 H new ATOM 0 H5'' DG A 5 -1.650 8.897 -6.482 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.488 7.218 -7.772 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.983 7.732 -5.527 1.00 0.00 H new ATOM 0 H2' DG A 5 -3.468 5.901 -4.243 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.800 5.272 -5.193 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.511 4.138 -6.590 1.00 0.00 H new ATOM 0 H8 DG A 5 -2.232 2.070 -6.556 1.00 0.00 H new ATOM 0 H1 DG A 5 0.663 3.550 -1.056 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.847 6.640 -1.483 1.00 0.00 H new ATOM 0 H22 DG A 5 0.173 5.594 -0.489 1.00 0.00 H new ATOM 162 P DG A 6 -6.213 6.873 -7.149 1.00 0.00 P ATOM 163 OP1 DG A 6 -6.776 7.265 -8.457 1.00 0.00 O ATOM 164 OP2 DG A 6 -6.651 7.537 -5.899 1.00 0.00 O ATOM 165 O5' DG A 6 -6.348 5.303 -6.977 1.00 0.00 O ATOM 166 C5' DG A 6 -6.044 4.373 -8.022 1.00 0.00 C ATOM 167 C4' DG A 6 -6.212 3.005 -7.368 1.00 0.00 C ATOM 168 O4' DG A 6 -5.205 2.581 -6.424 1.00 0.00 O ATOM 169 C3' DG A 6 -7.536 2.909 -6.653 1.00 0.00 C ATOM 170 O3' DG A 6 -8.296 1.803 -7.074 1.00 0.00 O ATOM 171 C2' DG A 6 -7.171 2.543 -5.247 1.00 0.00 C ATOM 172 C1' DG A 6 -5.886 1.780 -5.428 1.00 0.00 C ATOM 173 N9 DG A 6 -5.149 1.659 -4.139 1.00 0.00 N ATOM 174 C8 DG A 6 -4.867 2.663 -3.308 1.00 0.00 C ATOM 175 N7 DG A 6 -4.217 2.396 -2.225 1.00 0.00 N ATOM 176 C5 DG A 6 -4.034 1.038 -2.344 1.00 0.00 C ATOM 177 C6 DG A 6 -3.379 0.177 -1.466 1.00 0.00 C ATOM 178 O6 DG A 6 -2.843 0.479 -0.399 1.00 0.00 O ATOM 179 N1 DG A 6 -3.407 -1.117 -1.948 1.00 0.00 N ATOM 180 C2 DG A 6 -3.990 -1.535 -3.131 1.00 0.00 C ATOM 181 N2 DG A 6 -3.899 -2.832 -3.447 1.00 0.00 N ATOM 182 N3 DG A 6 -4.612 -0.704 -3.967 1.00 0.00 N ATOM 183 C4 DG A 6 -4.596 0.564 -3.511 1.00 0.00 C ATOM 0 H5' DG A 6 -5.030 4.513 -8.397 1.00 0.00 H new ATOM 0 H5'' DG A 6 -6.717 4.494 -8.871 1.00 0.00 H new ATOM 0 H4' DG A 6 -6.125 2.341 -8.228 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.092 3.833 -6.811 1.00 0.00 H new ATOM 0 H2' DG A 6 -7.034 3.425 -4.621 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.941 1.933 -4.774 1.00 0.00 H new ATOM 0 H1' DG A 6 -6.004 0.743 -5.743 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.174 3.673 -3.535 1.00 0.00 H new ATOM 0 H1 DG A 6 -2.955 -1.832 -1.378 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.317 -3.177 -4.311 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.412 -3.476 -2.824 1.00 0.00 H new ATOM 195 P DT A 7 -8.999 1.552 -8.480 1.00 0.00 P ATOM 196 OP1 DT A 7 -7.952 1.292 -9.493 1.00 0.00 O ATOM 197 OP2 DT A 7 -10.039 2.580 -8.687 1.00 0.00 O ATOM 198 O5' DT A 7 -9.665 0.171 -8.051 1.00 0.00 O ATOM 199 C5' DT A 7 -10.882 0.160 -7.320 1.00 0.00 C ATOM 200 C4' DT A 7 -10.930 -0.977 -6.332 1.00 0.00 C ATOM 201 O4' DT A 7 -10.700 -2.253 -6.923 1.00 0.00 O ATOM 202 C3' DT A 7 -10.083 -0.799 -5.077 1.00 0.00 C ATOM 203 O3' DT A 7 -10.792 -1.576 -4.096 1.00 0.00 O ATOM 204 C2' DT A 7 -8.881 -1.538 -5.586 1.00 0.00 C ATOM 205 C1' DT A 7 -9.492 -2.744 -6.348 1.00 0.00 C ATOM 206 N1 DT A 7 -8.688 -3.218 -7.485 1.00 0.00 N ATOM 207 C2 DT A 7 -8.206 -4.522 -7.526 1.00 0.00 C ATOM 208 O2 DT A 7 -8.393 -5.341 -6.628 1.00 0.00 O ATOM 209 N3 DT A 7 -7.501 -4.866 -8.663 1.00 0.00 N ATOM 210 C4 DT A 7 -7.230 -4.036 -9.734 1.00 0.00 C ATOM 211 O4 DT A 7 -6.580 -4.464 -10.688 1.00 0.00 O ATOM 212 C5 DT A 7 -7.775 -2.692 -9.604 1.00 0.00 C ATOM 213 C7 DT A 7 -7.558 -1.707 -10.764 1.00 0.00 C ATOM 214 C6 DT A 7 -8.481 -2.336 -8.491 1.00 0.00 C ATOM 0 H5' DT A 7 -11.721 0.077 -8.011 1.00 0.00 H new ATOM 0 H5'' DT A 7 -10.997 1.106 -6.791 1.00 0.00 H new ATOM 0 H4' DT A 7 -11.965 -0.943 -5.991 1.00 0.00 H new ATOM 0 H3' DT A 7 -9.871 0.187 -4.665 1.00 0.00 H new ATOM 0 H2' DT A 7 -8.275 -0.914 -6.243 1.00 0.00 H new ATOM 0 H2'' DT A 7 -8.235 -1.864 -4.771 1.00 0.00 H new ATOM 0 H1' DT A 7 -9.588 -3.568 -5.641 1.00 0.00 H new ATOM 0 H3 DT A 7 -7.148 -5.821 -8.717 1.00 0.00 H new ATOM 0 H71 DT A 7 -8.390 -1.004 -10.805 1.00 0.00 H new ATOM 0 H72 DT A 7 -6.629 -1.160 -10.607 1.00 0.00 H new ATOM 0 H73 DT A 7 -7.501 -2.258 -11.703 1.00 0.00 H new ATOM 0 H6 DT A 7 -8.880 -1.336 -8.412 1.00 0.00 H new ATOM 227 P DG A 8 -10.912 -1.163 -2.560 1.00 0.00 P ATOM 228 OP1 DG A 8 -11.785 -2.143 -1.873 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.250 0.277 -2.511 1.00 0.00 O ATOM 230 O5' DG A 8 -9.398 -1.334 -2.035 1.00 0.00 O ATOM 231 C5' DG A 8 -8.695 -2.506 -1.588 1.00 0.00 C ATOM 232 C4' DG A 8 -7.706 -1.951 -0.467 1.00 0.00 C ATOM 233 O4' DG A 8 -6.595 -1.026 -0.651 1.00 0.00 O ATOM 234 C3' DG A 8 -8.345 -1.678 0.861 1.00 0.00 C ATOM 235 O3' DG A 8 -7.680 -2.531 1.810 1.00 0.00 O ATOM 236 C2' DG A 8 -8.019 -0.238 0.927 1.00 0.00 C ATOM 237 C1' DG A 8 -6.642 0.003 0.369 1.00 0.00 C ATOM 238 N9 DG A 8 -6.846 1.249 -0.380 1.00 0.00 N ATOM 239 C8 DG A 8 -7.258 1.363 -1.656 1.00 0.00 C ATOM 240 N7 DG A 8 -7.454 2.555 -2.112 1.00 0.00 N ATOM 241 C5 DG A 8 -7.135 3.336 -0.997 1.00 0.00 C ATOM 242 C6 DG A 8 -7.142 4.756 -0.823 1.00 0.00 C ATOM 243 O6 DG A 8 -7.452 5.646 -1.613 1.00 0.00 O ATOM 244 N1 DG A 8 -6.739 5.100 0.459 1.00 0.00 N ATOM 245 C2 DG A 8 -6.384 4.210 1.444 1.00 0.00 C ATOM 246 N2 DG A 8 -6.033 4.745 2.606 1.00 0.00 N ATOM 247 N3 DG A 8 -6.374 2.892 1.292 1.00 0.00 N ATOM 248 C4 DG A 8 -6.754 2.532 0.055 1.00 0.00 C ATOM 0 H5' DG A 8 -8.149 -2.981 -2.404 1.00 0.00 H new ATOM 0 H5'' DG A 8 -9.378 -3.253 -1.184 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.144 -2.878 -0.579 1.00 0.00 H new ATOM 0 H3' DG A 8 -9.404 -1.868 1.035 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.755 0.336 0.364 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.068 0.108 1.960 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.802 0.020 1.063 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.418 0.492 -2.274 1.00 0.00 H new ATOM 0 H1 DG A 8 -6.703 6.093 0.689 1.00 0.00 H new ATOM 0 H21 DG A 8 -5.758 4.143 3.382 1.00 0.00 H new ATOM 0 H22 DG A 8 -6.039 5.758 2.723 1.00 0.00 H new ATOM 260 P DT A 9 -8.094 -4.093 2.054 1.00 0.00 P ATOM 261 OP1 DT A 9 -8.798 -4.612 0.861 1.00 0.00 O ATOM 262 OP2 DT A 9 -8.748 -4.159 3.377 1.00 0.00 O ATOM 263 O5' DT A 9 -6.724 -4.923 2.194 1.00 0.00 O ATOM 264 C5' DT A 9 -5.815 -5.264 1.140 1.00 0.00 C ATOM 265 C4' DT A 9 -4.341 -5.368 1.838 1.00 0.00 C ATOM 266 O4' DT A 9 -3.876 -4.210 2.595 1.00 0.00 O ATOM 267 C3' DT A 9 -4.018 -6.491 2.876 1.00 0.00 C ATOM 268 O3' DT A 9 -2.623 -6.817 2.813 1.00 0.00 O ATOM 269 C2' DT A 9 -4.292 -5.815 4.203 1.00 0.00 C ATOM 270 C1' DT A 9 -3.587 -4.496 4.008 1.00 0.00 C ATOM 271 N1 DT A 9 -4.056 -3.377 4.847 1.00 0.00 N ATOM 272 C2 DT A 9 -3.467 -3.131 6.068 1.00 0.00 C ATOM 273 O2 DT A 9 -2.578 -3.837 6.539 1.00 0.00 O ATOM 274 N3 DT A 9 -3.953 -2.029 6.742 1.00 0.00 N ATOM 275 C4 DT A 9 -4.945 -1.166 6.304 1.00 0.00 C ATOM 276 O4 DT A 9 -5.290 -0.209 6.992 1.00 0.00 O ATOM 277 C5 DT A 9 -5.496 -1.513 5.020 1.00 0.00 C ATOM 278 C7 DT A 9 -6.574 -0.631 4.391 1.00 0.00 C ATOM 279 C6 DT A 9 -5.039 -2.593 4.368 1.00 0.00 C ATOM 0 H5' DT A 9 -5.824 -4.507 0.356 1.00 0.00 H new ATOM 0 H5'' DT A 9 -6.094 -6.209 0.674 1.00 0.00 H new ATOM 0 H4' DT A 9 -3.861 -5.544 0.875 1.00 0.00 H new ATOM 0 H3' DT A 9 -4.589 -7.405 2.712 1.00 0.00 H new ATOM 0 H2' DT A 9 -5.359 -5.689 4.388 1.00 0.00 H new ATOM 0 H2'' DT A 9 -3.887 -6.378 5.044 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.537 -4.580 4.289 1.00 0.00 H new ATOM 0 H3 DT A 9 -3.541 -1.830 7.654 1.00 0.00 H new ATOM 0 H71 DT A 9 -6.499 -0.684 3.305 1.00 0.00 H new ATOM 0 H72 DT A 9 -7.558 -0.980 4.704 1.00 0.00 H new ATOM 0 H73 DT A 9 -6.435 0.401 4.714 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.480 -2.845 3.415 1.00 0.00 H new ATOM 292 P DG A 10 -2.036 -8.246 2.367 1.00 0.00 P ATOM 293 OP1 DG A 10 -3.072 -9.277 2.611 1.00 0.00 O ATOM 294 OP2 DG A 10 -0.705 -8.381 2.998 1.00 0.00 O ATOM 295 O5' DG A 10 -1.831 -8.079 0.771 1.00 0.00 O ATOM 296 C5' DG A 10 -2.622 -8.815 -0.170 1.00 0.00 C ATOM 297 C4' DG A 10 -2.184 -8.627 -1.621 1.00 0.00 C ATOM 298 O4' DG A 10 -2.387 -7.292 -2.087 1.00 0.00 O ATOM 299 C3' DG A 10 -0.707 -8.940 -1.884 1.00 0.00 C ATOM 300 O3' DG A 10 -0.565 -9.656 -3.120 1.00 0.00 O ATOM 301 C2' DG A 10 -0.072 -7.571 -1.900 1.00 0.00 C ATOM 302 C1' DG A 10 -1.153 -6.849 -2.658 1.00 0.00 C ATOM 303 N9 DG A 10 -1.094 -5.400 -2.665 1.00 0.00 N ATOM 304 C8 DG A 10 -1.254 -4.609 -3.735 1.00 0.00 C ATOM 305 N7 DG A 10 -1.188 -3.334 -3.519 1.00 0.00 N ATOM 306 C5 DG A 10 -0.955 -3.289 -2.148 1.00 0.00 C ATOM 307 C6 DG A 10 -0.785 -2.177 -1.305 1.00 0.00 C ATOM 308 O6 DG A 10 -0.830 -0.994 -1.609 1.00 0.00 O ATOM 309 N1 DG A 10 -0.570 -2.526 0.001 1.00 0.00 N ATOM 310 C2 DG A 10 -0.527 -3.834 0.465 1.00 0.00 C ATOM 311 N2 DG A 10 -0.346 -4.076 1.759 1.00 0.00 N ATOM 312 N3 DG A 10 -0.688 -4.896 -0.330 1.00 0.00 N ATOM 313 C4 DG A 10 -0.896 -4.548 -1.616 1.00 0.00 C ATOM 0 H5' DG A 10 -3.664 -8.510 -0.072 1.00 0.00 H new ATOM 0 H5'' DG A 10 -2.575 -9.875 0.080 1.00 0.00 H new ATOM 0 H4' DG A 10 -2.813 -9.341 -2.153 1.00 0.00 H new ATOM 0 H3' DG A 10 -0.237 -9.588 -1.144 1.00 0.00 H new ATOM 0 H2' DG A 10 0.091 -7.166 -0.901 1.00 0.00 H new ATOM 0 H2'' DG A 10 0.890 -7.554 -2.412 1.00 0.00 H new ATOM 0 H1' DG A 10 -1.031 -7.095 -3.713 1.00 0.00 H new ATOM 0 H8 DG A 10 -1.428 -5.012 -4.722 1.00 0.00 H new ATOM 0 H1 DG A 10 -0.432 -1.776 0.678 1.00 0.00 H new ATOM 0 H21 DG A 10 -0.315 -5.037 2.099 1.00 0.00 H new ATOM 0 H22 DG A 10 -0.238 -3.300 2.413 1.00 0.00 H new ATOM 325 P DG A 11 0.860 -10.200 -3.647 1.00 0.00 P ATOM 326 OP1 DG A 11 0.595 -11.310 -4.589 1.00 0.00 O ATOM 327 OP2 DG A 11 1.735 -10.427 -2.475 1.00 0.00 O ATOM 328 O5' DG A 11 1.457 -8.951 -4.478 1.00 0.00 O ATOM 329 C5' DG A 11 1.127 -8.738 -5.856 1.00 0.00 C ATOM 330 C4' DG A 11 1.795 -7.485 -6.418 1.00 0.00 C ATOM 331 O4' DG A 11 1.311 -6.296 -5.793 1.00 0.00 O ATOM 332 C3' DG A 11 3.317 -7.495 -6.403 1.00 0.00 C ATOM 333 O3' DG A 11 3.712 -7.412 -7.773 1.00 0.00 O ATOM 334 C2' DG A 11 3.638 -6.279 -5.563 1.00 0.00 C ATOM 335 C1' DG A 11 2.419 -5.415 -5.654 1.00 0.00 C ATOM 336 N9 DG A 11 2.283 -4.662 -4.426 1.00 0.00 N ATOM 337 C8 DG A 11 2.528 -5.078 -3.162 1.00 0.00 C ATOM 338 N7 DG A 11 2.402 -4.183 -2.245 1.00 0.00 N ATOM 339 C5 DG A 11 2.027 -3.067 -2.978 1.00 0.00 C ATOM 340 C6 DG A 11 1.745 -1.778 -2.531 1.00 0.00 C ATOM 341 O6 DG A 11 1.810 -1.367 -1.379 1.00 0.00 O ATOM 342 N1 DG A 11 1.396 -0.941 -3.571 1.00 0.00 N ATOM 343 C2 DG A 11 1.327 -1.288 -4.899 1.00 0.00 C ATOM 344 N2 DG A 11 0.938 -0.325 -5.742 1.00 0.00 N ATOM 345 N3 DG A 11 1.607 -2.519 -5.333 1.00 0.00 N ATOM 346 C4 DG A 11 1.945 -3.348 -4.315 1.00 0.00 C ATOM 0 H5' DG A 11 0.046 -8.650 -5.960 1.00 0.00 H new ATOM 0 H5'' DG A 11 1.434 -9.605 -6.440 1.00 0.00 H new ATOM 0 H4' DG A 11 1.507 -7.492 -7.469 1.00 0.00 H new ATOM 0 H3' DG A 11 3.828 -8.364 -5.989 1.00 0.00 H new ATOM 0 H2' DG A 11 3.849 -6.557 -4.530 1.00 0.00 H new ATOM 0 H2'' DG A 11 4.519 -5.760 -5.940 1.00 0.00 H new ATOM 0 H1' DG A 11 2.479 -4.718 -6.490 1.00 0.00 H new ATOM 0 H8 DG A 11 2.811 -6.096 -2.937 1.00 0.00 H new ATOM 0 H1 DG A 11 1.168 0.024 -3.332 1.00 0.00 H new ATOM 0 H21 DG A 11 0.867 -0.520 -6.741 1.00 0.00 H new ATOM 0 H22 DG A 11 0.713 0.604 -5.386 1.00 0.00 H new ATOM 358 P DT A 12 4.846 -8.350 -8.417 1.00 0.00 P ATOM 359 OP1 DT A 12 4.415 -8.741 -9.778 1.00 0.00 O ATOM 360 OP2 DT A 12 5.248 -9.383 -7.434 1.00 0.00 O ATOM 361 O5' DT A 12 6.006 -7.257 -8.535 1.00 0.00 O ATOM 362 C5' DT A 12 7.397 -7.554 -8.450 1.00 0.00 C ATOM 363 C4' DT A 12 8.124 -6.356 -7.854 1.00 0.00 C ATOM 364 O4' DT A 12 7.863 -5.160 -8.616 1.00 0.00 O ATOM 365 C3' DT A 12 7.618 -6.047 -6.444 1.00 0.00 C ATOM 366 O3' DT A 12 8.206 -6.935 -5.484 1.00 0.00 O ATOM 367 C2' DT A 12 8.156 -4.642 -6.332 1.00 0.00 C ATOM 368 C1' DT A 12 7.922 -4.042 -7.714 1.00 0.00 C ATOM 369 N1 DT A 12 6.811 -3.047 -7.824 1.00 0.00 N ATOM 370 C2 DT A 12 7.139 -1.729 -7.499 1.00 0.00 C ATOM 371 O2 DT A 12 8.259 -1.388 -7.120 1.00 0.00 O ATOM 372 N3 DT A 12 6.128 -0.797 -7.619 1.00 0.00 N ATOM 373 C4 DT A 12 4.833 -1.045 -8.027 1.00 0.00 C ATOM 374 O4 DT A 12 4.022 -0.123 -8.093 1.00 0.00 O ATOM 375 C5 DT A 12 4.565 -2.433 -8.348 1.00 0.00 C ATOM 376 C7 DT A 12 3.156 -2.814 -8.824 1.00 0.00 C ATOM 377 C6 DT A 12 5.532 -3.380 -8.241 1.00 0.00 C ATOM 0 H5' DT A 12 7.794 -7.782 -9.439 1.00 0.00 H new ATOM 0 H5'' DT A 12 7.556 -8.437 -7.831 1.00 0.00 H new ATOM 0 H4' DT A 12 9.182 -6.618 -7.856 1.00 0.00 H new ATOM 0 H3' DT A 12 6.547 -6.154 -6.270 1.00 0.00 H new ATOM 0 H2' DT A 12 7.636 -4.077 -5.559 1.00 0.00 H new ATOM 0 H2'' DT A 12 9.214 -4.640 -6.071 1.00 0.00 H new ATOM 0 H1' DT A 12 8.746 -3.381 -7.983 1.00 0.00 H new ATOM 0 H3 DT A 12 6.360 0.168 -7.383 1.00 0.00 H new ATOM 0 H71 DT A 12 2.426 -2.140 -8.376 1.00 0.00 H new ATOM 0 H72 DT A 12 3.105 -2.734 -9.910 1.00 0.00 H new ATOM 0 H73 DT A 12 2.936 -3.839 -8.525 1.00 0.00 H new ATOM 0 H6 DT A 12 5.301 -4.407 -8.484 1.00 0.00 H new ATOM 390 P DT A 13 7.402 -7.470 -4.191 1.00 0.00 P ATOM 391 OP1 DT A 13 8.121 -8.661 -3.681 1.00 0.00 O ATOM 392 OP2 DT A 13 5.972 -7.588 -4.546 1.00 0.00 O ATOM 393 O5' DT A 13 7.548 -6.282 -3.101 1.00 0.00 O ATOM 394 C5' DT A 13 8.680 -6.204 -2.218 1.00 0.00 C ATOM 395 C4' DT A 13 8.344 -5.554 -0.864 1.00 0.00 C ATOM 396 O4' DT A 13 7.945 -4.176 -0.995 1.00 0.00 O ATOM 397 C3' DT A 13 7.197 -6.269 -0.128 1.00 0.00 C ATOM 398 O3' DT A 13 7.240 -6.067 1.294 1.00 0.00 O ATOM 399 C2' DT A 13 6.027 -5.462 -0.643 1.00 0.00 C ATOM 400 C1' DT A 13 6.576 -4.042 -0.576 1.00 0.00 C ATOM 401 N1 DT A 13 5.883 -2.998 -1.368 1.00 0.00 N ATOM 402 C2 DT A 13 5.434 -1.866 -0.696 1.00 0.00 C ATOM 403 O2 DT A 13 5.563 -1.706 0.518 1.00 0.00 O ATOM 404 N3 DT A 13 4.819 -0.906 -1.473 1.00 0.00 N ATOM 405 C4 DT A 13 4.609 -0.967 -2.840 1.00 0.00 C ATOM 406 O4 DT A 13 4.045 -0.039 -3.419 1.00 0.00 O ATOM 407 C5 DT A 13 5.106 -2.182 -3.453 1.00 0.00 C ATOM 408 C7 DT A 13 4.952 -2.406 -4.955 1.00 0.00 C ATOM 409 C6 DT A 13 5.711 -3.133 -2.719 1.00 0.00 C ATOM 0 H5' DT A 13 9.472 -5.633 -2.702 1.00 0.00 H new ATOM 0 H5'' DT A 13 9.069 -7.207 -2.046 1.00 0.00 H new ATOM 0 H4' DT A 13 9.271 -5.634 -0.296 1.00 0.00 H new ATOM 0 H3' DT A 13 7.196 -7.347 -0.290 1.00 0.00 H new ATOM 0 H2' DT A 13 5.749 -5.746 -1.658 1.00 0.00 H new ATOM 0 H2'' DT A 13 5.139 -5.587 -0.023 1.00 0.00 H new ATOM 0 H1' DT A 13 6.431 -3.668 0.438 1.00 0.00 H new ATOM 0 H3 DT A 13 4.487 -0.069 -0.993 1.00 0.00 H new ATOM 0 H71 DT A 13 4.055 -1.898 -5.309 1.00 0.00 H new ATOM 0 H72 DT A 13 5.824 -2.007 -5.474 1.00 0.00 H new ATOM 0 H73 DT A 13 4.867 -3.474 -5.157 1.00 0.00 H new ATOM 0 H6 DT A 13 6.070 -4.026 -3.208 1.00 0.00 H new ATOM 422 P DG A 14 8.293 -6.739 2.311 1.00 0.00 P ATOM 423 OP1 DG A 14 9.534 -5.934 2.281 1.00 0.00 O ATOM 424 OP2 DG A 14 8.347 -8.195 2.052 1.00 0.00 O ATOM 425 O5' DG A 14 7.572 -6.488 3.734 1.00 0.00 O ATOM 426 C5' DG A 14 6.299 -7.066 4.047 1.00 0.00 C ATOM 427 C4' DG A 14 5.716 -6.483 5.340 1.00 0.00 C ATOM 428 O4' DG A 14 5.524 -5.055 5.223 1.00 0.00 O ATOM 429 C3' DG A 14 4.349 -7.076 5.711 1.00 0.00 C ATOM 430 O3' DG A 14 4.201 -7.115 7.143 1.00 0.00 O ATOM 431 C2' DG A 14 3.440 -6.069 5.047 1.00 0.00 C ATOM 432 C1' DG A 14 4.126 -4.756 5.372 1.00 0.00 C ATOM 433 N9 DG A 14 3.696 -3.621 4.532 1.00 0.00 N ATOM 434 C8 DG A 14 3.589 -2.312 4.885 1.00 0.00 C ATOM 435 N7 DG A 14 3.181 -1.502 3.960 1.00 0.00 N ATOM 436 C5 DG A 14 2.993 -2.351 2.877 1.00 0.00 C ATOM 437 C6 DG A 14 2.552 -2.048 1.570 1.00 0.00 C ATOM 438 O6 DG A 14 2.233 -0.951 1.132 1.00 0.00 O ATOM 439 N1 DG A 14 2.494 -3.172 0.767 1.00 0.00 N ATOM 440 C2 DG A 14 2.826 -4.449 1.182 1.00 0.00 C ATOM 441 N2 DG A 14 2.704 -5.421 0.282 1.00 0.00 N ATOM 442 N3 DG A 14 3.243 -4.740 2.416 1.00 0.00 N ATOM 443 C4 DG A 14 3.304 -3.646 3.209 1.00 0.00 C ATOM 0 H5' DG A 14 6.405 -8.146 4.150 1.00 0.00 H new ATOM 0 H5'' DG A 14 5.607 -6.890 3.224 1.00 0.00 H new ATOM 0 H4' DG A 14 6.443 -6.734 6.112 1.00 0.00 H new ATOM 0 H3' DG A 14 4.163 -8.103 5.397 1.00 0.00 H new ATOM 0 H2' DG A 14 3.365 -6.234 3.972 1.00 0.00 H new ATOM 0 H2'' DG A 14 2.427 -6.109 5.447 1.00 0.00 H new ATOM 0 H1' DG A 14 3.867 -4.412 6.373 1.00 0.00 H new ATOM 0 H8 DG A 14 3.830 -1.967 5.880 1.00 0.00 H new ATOM 0 H1 DG A 14 2.185 -3.051 -0.198 1.00 0.00 H new ATOM 0 H21 DG A 14 2.935 -6.382 0.534 1.00 0.00 H new ATOM 0 H22 DG A 14 2.379 -5.205 -0.661 1.00 0.00 H new ATOM 455 P DG A 15 2.782 -7.240 7.914 1.00 0.00 P ATOM 456 OP1 DG A 15 3.051 -7.751 9.277 1.00 0.00 O ATOM 457 OP2 DG A 15 1.829 -7.957 7.038 1.00 0.00 O ATOM 458 O5' DG A 15 2.288 -5.703 8.034 1.00 0.00 O ATOM 459 C5' DG A 15 2.804 -4.838 9.058 1.00 0.00 C ATOM 460 C4' DG A 15 1.869 -3.666 9.395 1.00 0.00 C ATOM 461 O4' DG A 15 1.705 -2.762 8.282 1.00 0.00 O ATOM 462 C3' DG A 15 0.456 -4.116 9.792 1.00 0.00 C ATOM 463 O3' DG A 15 -0.128 -3.124 10.646 1.00 0.00 O ATOM 464 C2' DG A 15 -0.223 -4.051 8.440 1.00 0.00 C ATOM 465 C1' DG A 15 0.323 -2.749 7.878 1.00 0.00 C ATOM 466 N9 DG A 15 0.203 -2.553 6.421 1.00 0.00 N ATOM 467 C8 DG A 15 0.612 -3.348 5.397 1.00 0.00 C ATOM 468 N7 DG A 15 0.398 -2.892 4.202 1.00 0.00 N ATOM 469 C5 DG A 15 -0.219 -1.672 4.445 1.00 0.00 C ATOM 470 C6 DG A 15 -0.696 -0.698 3.529 1.00 0.00 C ATOM 471 O6 DG A 15 -0.660 -0.729 2.300 1.00 0.00 O ATOM 472 N1 DG A 15 -1.250 0.387 4.191 1.00 0.00 N ATOM 473 C2 DG A 15 -1.337 0.524 5.563 1.00 0.00 C ATOM 474 N2 DG A 15 -1.904 1.637 6.022 1.00 0.00 N ATOM 475 N3 DG A 15 -0.888 -0.391 6.422 1.00 0.00 N ATOM 476 C4 DG A 15 -0.344 -1.457 5.796 1.00 0.00 C ATOM 0 H5' DG A 15 3.768 -4.443 8.738 1.00 0.00 H new ATOM 0 H5'' DG A 15 2.982 -5.422 9.961 1.00 0.00 H new ATOM 0 H4' DG A 15 2.358 -3.173 10.235 1.00 0.00 H new ATOM 0 H3' DG A 15 0.396 -5.073 10.309 1.00 0.00 H new ATOM 0 H2' DG A 15 0.032 -4.905 7.813 1.00 0.00 H new ATOM 0 H2'' DG A 15 -1.309 -4.034 8.529 1.00 0.00 H new ATOM 0 HO3' DG A 15 -1.032 -3.404 10.902 1.00 0.00 H new ATOM 0 H1' DG A 15 -0.267 -1.916 8.261 1.00 0.00 H new ATOM 0 H8 DG A 15 1.087 -4.303 5.568 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.623 1.145 3.619 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.993 1.787 7.027 1.00 0.00 H new ATOM 0 H22 DG A 15 -2.250 2.340 5.369 1.00 0.00 H new TER 489 DG A 15