USER MOD reduce.3.24.130724 H: found=0, std=0, add=241, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 241 hydrogens (18 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 48:sc= 0.969 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.49! (180deg=-7.33!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.311 -3.661 -7.388 1.00 0.00 O ATOM 2 C5' DG A 1 3.355 -3.672 -8.815 1.00 0.00 C ATOM 3 C4' DG A 1 1.985 -3.362 -9.422 1.00 0.00 C ATOM 4 O4' DG A 1 1.023 -4.312 -8.963 1.00 0.00 O ATOM 5 C3' DG A 1 1.437 -1.994 -9.064 1.00 0.00 C ATOM 6 O3' DG A 1 1.907 -1.016 -9.998 1.00 0.00 O ATOM 7 C2' DG A 1 -0.065 -2.180 -9.217 1.00 0.00 C ATOM 8 C1' DG A 1 -0.263 -3.669 -8.933 1.00 0.00 C ATOM 9 N9 DG A 1 -0.875 -3.936 -7.617 1.00 0.00 N ATOM 10 C8 DG A 1 -2.186 -3.830 -7.245 1.00 0.00 C ATOM 11 N7 DG A 1 -2.431 -4.105 -5.999 1.00 0.00 N ATOM 12 C5 DG A 1 -1.173 -4.424 -5.490 1.00 0.00 C ATOM 13 C6 DG A 1 -0.796 -4.811 -4.175 1.00 0.00 C ATOM 14 O6 DG A 1 -1.511 -4.945 -3.184 1.00 0.00 O ATOM 15 N1 DG A 1 0.570 -5.044 -4.085 1.00 0.00 N ATOM 16 C2 DG A 1 1.465 -4.921 -5.127 1.00 0.00 C ATOM 17 N2 DG A 1 2.739 -5.192 -4.844 1.00 0.00 N ATOM 18 N3 DG A 1 1.115 -4.555 -6.366 1.00 0.00 N ATOM 19 C4 DG A 1 -0.215 -4.324 -6.474 1.00 0.00 C ATOM 0 H5' DG A 1 3.695 -4.648 -9.162 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.082 -2.939 -9.163 1.00 0.00 H new ATOM 0 H4' DG A 1 2.143 -3.401 -10.500 1.00 0.00 H new ATOM 0 H3' DG A 1 1.735 -1.652 -8.073 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.621 -1.559 -8.515 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.404 -1.912 -10.218 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.549 -4.195 -7.080 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.941 -4.054 -9.695 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.962 -3.539 -7.937 1.00 0.00 H new ATOM 0 H1 DG A 1 0.940 -5.328 -3.178 1.00 0.00 H new ATOM 0 H21 DG A 1 3.450 -5.119 -5.572 1.00 0.00 H new ATOM 0 H22 DG A 1 3.003 -5.472 -3.899 1.00 0.00 H new ATOM 32 P DG A 2 2.132 0.507 -9.529 1.00 0.00 P ATOM 33 OP1 DG A 2 2.613 1.286 -10.693 1.00 0.00 O ATOM 34 OP2 DG A 2 2.919 0.488 -8.277 1.00 0.00 O ATOM 35 O5' DG A 2 0.635 0.991 -9.179 1.00 0.00 O ATOM 36 C5' DG A 2 -0.349 1.104 -10.212 1.00 0.00 C ATOM 37 C4' DG A 2 -1.762 1.228 -9.640 1.00 0.00 C ATOM 38 O4' DG A 2 -2.092 0.069 -8.881 1.00 0.00 O ATOM 39 C3' DG A 2 -1.958 2.423 -8.718 1.00 0.00 C ATOM 40 O3' DG A 2 -2.390 3.559 -9.470 1.00 0.00 O ATOM 41 C2' DG A 2 -3.063 1.963 -7.788 1.00 0.00 C ATOM 42 C1' DG A 2 -2.797 0.463 -7.693 1.00 0.00 C ATOM 43 N9 DG A 2 -1.964 0.087 -6.533 1.00 0.00 N ATOM 44 C8 DG A 2 -0.604 0.003 -6.443 1.00 0.00 C ATOM 45 N7 DG A 2 -0.148 -0.325 -5.269 1.00 0.00 N ATOM 46 C5 DG A 2 -1.305 -0.474 -4.507 1.00 0.00 C ATOM 47 C6 DG A 2 -1.456 -0.825 -3.137 1.00 0.00 C ATOM 48 O6 DG A 2 -0.578 -1.071 -2.311 1.00 0.00 O ATOM 49 N1 DG A 2 -2.794 -0.866 -2.766 1.00 0.00 N ATOM 50 C2 DG A 2 -3.857 -0.601 -3.604 1.00 0.00 C ATOM 51 N2 DG A 2 -5.074 -0.695 -3.066 1.00 0.00 N ATOM 52 N3 DG A 2 -3.720 -0.268 -4.891 1.00 0.00 N ATOM 53 C4 DG A 2 -2.422 -0.225 -5.274 1.00 0.00 C ATOM 0 H5' DG A 2 -0.295 0.231 -10.862 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.129 1.975 -10.830 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.404 1.353 -10.512 1.00 0.00 H new ATOM 0 H3' DG A 2 -1.048 2.719 -8.196 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.005 2.450 -6.814 1.00 0.00 H new ATOM 0 H2'' DG A 2 -4.052 2.177 -8.193 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.761 -0.034 -7.579 1.00 0.00 H new ATOM 0 H8 DG A 2 0.046 0.195 -7.284 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.007 -1.111 -1.799 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.899 -0.511 -3.636 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.179 -0.951 -2.084 1.00 0.00 H new ATOM 65 P DG A 3 -2.252 5.035 -8.844 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.374 6.017 -9.945 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.062 5.054 -7.965 1.00 0.00 O ATOM 68 O5' DG A 3 -3.566 5.145 -7.922 1.00 0.00 O ATOM 69 C5' DG A 3 -4.867 5.016 -8.501 1.00 0.00 C ATOM 70 C4' DG A 3 -5.968 5.193 -7.461 1.00 0.00 C ATOM 71 O4' DG A 3 -5.740 4.266 -6.383 1.00 0.00 O ATOM 72 C3' DG A 3 -6.030 6.595 -6.863 1.00 0.00 C ATOM 73 O3' DG A 3 -7.393 7.027 -6.818 1.00 0.00 O ATOM 74 C2' DG A 3 -5.490 6.460 -5.445 1.00 0.00 C ATOM 75 C1' DG A 3 -5.584 4.968 -5.146 1.00 0.00 C ATOM 76 N9 DG A 3 -4.390 4.419 -4.473 1.00 0.00 N ATOM 77 C8 DG A 3 -3.123 4.262 -4.960 1.00 0.00 C ATOM 78 N7 DG A 3 -2.269 3.757 -4.123 1.00 0.00 N ATOM 79 C5 DG A 3 -3.028 3.556 -2.973 1.00 0.00 C ATOM 80 C6 DG A 3 -2.645 3.026 -1.711 1.00 0.00 C ATOM 81 O6 DG A 3 -1.540 2.624 -1.357 1.00 0.00 O ATOM 82 N1 DG A 3 -3.716 2.995 -0.827 1.00 0.00 N ATOM 83 C2 DG A 3 -4.996 3.419 -1.116 1.00 0.00 C ATOM 84 N2 DG A 3 -5.892 3.306 -0.136 1.00 0.00 N ATOM 85 N3 DG A 3 -5.360 3.920 -2.302 1.00 0.00 N ATOM 86 C4 DG A 3 -4.330 3.959 -3.179 1.00 0.00 C ATOM 0 H5' DG A 3 -4.962 4.036 -8.968 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.989 5.758 -9.290 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.912 5.014 -7.976 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.459 7.317 -7.447 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.462 6.816 -5.375 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.078 7.045 -4.738 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.431 4.839 -4.473 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.852 4.538 -5.968 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.542 2.630 0.109 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.856 3.603 -0.289 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.614 2.923 0.767 1.00 0.00 H new ATOM 98 P DG A 4 -7.969 8.027 -7.941 1.00 0.00 P ATOM 99 OP1 DG A 4 -6.899 8.984 -8.301 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.285 8.527 -7.484 1.00 0.00 O ATOM 101 O5' DG A 4 -8.213 7.046 -9.194 1.00 0.00 O ATOM 102 C5' DG A 4 -9.483 6.415 -9.383 1.00 0.00 C ATOM 103 C4' DG A 4 -9.545 5.665 -10.711 1.00 0.00 C ATOM 104 O4' DG A 4 -9.313 6.578 -11.786 1.00 0.00 O ATOM 105 C3' DG A 4 -8.506 4.561 -10.839 1.00 0.00 C ATOM 106 O3' DG A 4 -9.033 3.499 -11.643 1.00 0.00 O ATOM 107 C2' DG A 4 -7.342 5.225 -11.561 1.00 0.00 C ATOM 108 C1' DG A 4 -7.993 6.386 -12.311 1.00 0.00 C ATOM 109 N9 DG A 4 -7.272 7.664 -12.173 1.00 0.00 N ATOM 110 C8 DG A 4 -6.632 8.177 -11.082 1.00 0.00 C ATOM 111 N7 DG A 4 -6.082 9.341 -11.261 1.00 0.00 N ATOM 112 C5 DG A 4 -6.381 9.632 -12.591 1.00 0.00 C ATOM 113 C6 DG A 4 -6.047 10.773 -13.368 1.00 0.00 C ATOM 114 O6 DG A 4 -5.411 11.768 -13.028 1.00 0.00 O ATOM 115 N1 DG A 4 -6.542 10.669 -14.661 1.00 0.00 N ATOM 116 C2 DG A 4 -7.268 9.602 -15.149 1.00 0.00 C ATOM 117 N2 DG A 4 -7.659 9.683 -16.422 1.00 0.00 N ATOM 118 N3 DG A 4 -7.583 8.527 -14.421 1.00 0.00 N ATOM 119 C4 DG A 4 -7.109 8.610 -13.156 1.00 0.00 C ATOM 0 H5' DG A 4 -10.272 7.167 -9.352 1.00 0.00 H new ATOM 0 H5'' DG A 4 -9.671 5.721 -8.563 1.00 0.00 H new ATOM 0 H4' DG A 4 -10.536 5.213 -10.749 1.00 0.00 H new ATOM 0 H3' DG A 4 -8.217 4.136 -9.878 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.584 5.576 -10.860 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.848 4.534 -12.244 1.00 0.00 H new ATOM 0 H1' DG A 4 -7.987 6.118 -13.368 1.00 0.00 H new ATOM 0 H8 DG A 4 -6.586 7.654 -10.138 1.00 0.00 H new ATOM 0 H1 DG A 4 -6.354 11.442 -15.300 1.00 0.00 H new ATOM 0 H21 DG A 4 -8.199 8.925 -16.839 1.00 0.00 H new ATOM 0 H22 DG A 4 -7.418 10.503 -16.978 1.00 0.00 H new ATOM 131 P DC A 5 -9.754 2.233 -10.955 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.578 1.555 -11.982 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.375 2.686 -9.692 1.00 0.00 O ATOM 134 O5' DC A 5 -8.512 1.272 -10.590 1.00 0.00 O ATOM 135 C5' DC A 5 -7.566 0.900 -11.595 1.00 0.00 C ATOM 136 C4' DC A 5 -6.685 -0.267 -11.145 1.00 0.00 C ATOM 137 O4' DC A 5 -5.984 0.087 -9.932 1.00 0.00 O ATOM 138 C3' DC A 5 -7.458 -1.555 -10.851 1.00 0.00 C ATOM 139 O3' DC A 5 -6.678 -2.689 -11.253 1.00 0.00 O ATOM 140 C2' DC A 5 -7.593 -1.545 -9.339 1.00 0.00 C ATOM 141 C1' DC A 5 -6.283 -0.894 -8.934 1.00 0.00 C ATOM 142 N1 DC A 5 -6.304 -0.222 -7.619 1.00 0.00 N ATOM 143 C2 DC A 5 -6.160 -1.023 -6.497 1.00 0.00 C ATOM 144 O2 DC A 5 -6.031 -2.239 -6.623 1.00 0.00 O ATOM 145 N3 DC A 5 -6.149 -0.427 -5.273 1.00 0.00 N ATOM 146 C4 DC A 5 -6.272 0.903 -5.153 1.00 0.00 C ATOM 147 N4 DC A 5 -6.253 1.455 -3.938 1.00 0.00 N ATOM 148 C5 DC A 5 -6.422 1.734 -6.310 1.00 0.00 C ATOM 149 C6 DC A 5 -6.433 1.133 -7.517 1.00 0.00 C ATOM 0 H5' DC A 5 -6.938 1.757 -11.837 1.00 0.00 H new ATOM 0 H5'' DC A 5 -8.095 0.625 -12.507 1.00 0.00 H new ATOM 0 H4' DC A 5 -6.010 -0.455 -11.980 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.414 -1.612 -11.372 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.458 -0.972 -9.006 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.699 -2.549 -8.928 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.539 -1.686 -8.852 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.346 2.466 -3.835 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.146 0.866 -3.112 1.00 0.00 H new ATOM 0 H5 DC A 5 -6.523 2.805 -6.219 1.00 0.00 H new ATOM 0 H6 DC A 5 -6.545 1.729 -8.411 1.00 0.00 H new ATOM 161 P DG A 6 -7.388 -4.082 -11.647 1.00 0.00 P ATOM 162 OP1 DG A 6 -6.380 -4.945 -12.305 1.00 0.00 O ATOM 163 OP2 DG A 6 -8.657 -3.772 -12.343 1.00 0.00 O ATOM 164 O5' DG A 6 -7.740 -4.728 -10.209 1.00 0.00 O ATOM 165 C5' DG A 6 -8.839 -5.636 -10.076 1.00 0.00 C ATOM 166 C4' DG A 6 -8.957 -6.202 -8.659 1.00 0.00 C ATOM 167 O4' DG A 6 -7.827 -6.994 -8.328 1.00 0.00 O ATOM 168 C3' DG A 6 -9.053 -5.159 -7.563 1.00 0.00 C ATOM 169 O3' DG A 6 -10.412 -4.743 -7.402 1.00 0.00 O ATOM 170 C2' DG A 6 -8.599 -5.925 -6.327 1.00 0.00 C ATOM 171 C1' DG A 6 -7.741 -7.058 -6.897 1.00 0.00 C ATOM 172 N9 DG A 6 -6.325 -6.960 -6.519 1.00 0.00 N ATOM 173 C8 DG A 6 -5.303 -6.328 -7.164 1.00 0.00 C ATOM 174 N7 DG A 6 -4.150 -6.394 -6.568 1.00 0.00 N ATOM 175 C5 DG A 6 -4.429 -7.135 -5.421 1.00 0.00 C ATOM 176 C6 DG A 6 -3.567 -7.539 -4.367 1.00 0.00 C ATOM 177 O6 DG A 6 -2.367 -7.315 -4.238 1.00 0.00 O ATOM 178 N1 DG A 6 -4.249 -8.270 -3.402 1.00 0.00 N ATOM 179 C2 DG A 6 -5.593 -8.578 -3.443 1.00 0.00 C ATOM 180 N2 DG A 6 -6.065 -9.290 -2.420 1.00 0.00 N ATOM 181 N3 DG A 6 -6.407 -8.201 -4.433 1.00 0.00 N ATOM 182 C4 DG A 6 -5.759 -7.485 -5.383 1.00 0.00 C ATOM 0 H5' DG A 6 -8.717 -6.456 -10.783 1.00 0.00 H new ATOM 0 H5'' DG A 6 -9.765 -5.124 -10.338 1.00 0.00 H new ATOM 0 H4' DG A 6 -9.884 -6.774 -8.694 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.466 -4.262 -7.763 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.026 -5.290 -5.651 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.447 -6.311 -5.761 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.120 -7.996 -6.492 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.442 -5.810 -8.102 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.714 -8.605 -2.601 1.00 0.00 H new ATOM 0 H21 DG A 6 -7.051 -9.550 -2.391 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.440 -9.575 -1.666 1.00 0.00 H new ATOM 194 P DG A 7 -10.761 -3.238 -6.946 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.214 -3.028 -7.136 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.791 -2.319 -7.584 1.00 0.00 O ATOM 197 O5' DG A 7 -10.457 -3.269 -5.362 1.00 0.00 O ATOM 198 C5' DG A 7 -11.261 -4.078 -4.502 1.00 0.00 C ATOM 199 C4' DG A 7 -10.929 -3.876 -3.022 1.00 0.00 C ATOM 200 O4' DG A 7 -9.673 -4.468 -2.656 1.00 0.00 O ATOM 201 C3' DG A 7 -10.857 -2.415 -2.561 1.00 0.00 C ATOM 202 O3' DG A 7 -12.048 -2.096 -1.830 1.00 0.00 O ATOM 203 C2' DG A 7 -9.646 -2.380 -1.618 1.00 0.00 C ATOM 204 C1' DG A 7 -9.384 -3.863 -1.403 1.00 0.00 C ATOM 205 N9 DG A 7 -8.014 -4.227 -0.964 1.00 0.00 N ATOM 206 C8 DG A 7 -7.621 -4.600 0.289 1.00 0.00 C ATOM 207 N7 DG A 7 -6.357 -4.838 0.430 1.00 0.00 N ATOM 208 C5 DG A 7 -5.841 -4.609 -0.840 1.00 0.00 C ATOM 209 C6 DG A 7 -4.499 -4.714 -1.295 1.00 0.00 C ATOM 210 O6 DG A 7 -3.499 -5.022 -0.651 1.00 0.00 O ATOM 211 N1 DG A 7 -4.391 -4.404 -2.640 1.00 0.00 N ATOM 212 C2 DG A 7 -5.443 -4.037 -3.455 1.00 0.00 C ATOM 213 N2 DG A 7 -5.135 -3.781 -4.726 1.00 0.00 N ATOM 214 N3 DG A 7 -6.716 -3.934 -3.032 1.00 0.00 N ATOM 215 C4 DG A 7 -6.843 -4.234 -1.714 1.00 0.00 C ATOM 0 H5' DG A 7 -11.121 -5.127 -4.762 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.313 -3.845 -4.669 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.771 -4.364 -2.530 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.768 -1.707 -3.385 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.791 -1.874 -2.067 1.00 0.00 H new ATOM 0 H2'' DG A 7 -9.868 -1.863 -0.684 1.00 0.00 H new ATOM 0 H1' DG A 7 -10.006 -4.208 -0.577 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.319 -4.690 1.108 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.463 -4.450 -3.061 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.865 -3.504 -5.382 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.169 -3.862 -5.043 1.00 0.00 H new ATOM 227 P DG A 8 -12.345 -0.590 -1.347 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.780 -0.495 -0.998 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.764 0.338 -2.341 1.00 0.00 O ATOM 230 O5' DG A 8 -11.486 -0.478 0.013 1.00 0.00 O ATOM 231 C5' DG A 8 -11.782 -1.330 1.123 1.00 0.00 C ATOM 232 C4' DG A 8 -10.646 -1.360 2.139 1.00 0.00 C ATOM 233 O4' DG A 8 -9.452 -1.860 1.556 1.00 0.00 O ATOM 234 C3' DG A 8 -10.287 0.001 2.718 1.00 0.00 C ATOM 235 O3' DG A 8 -11.007 0.213 3.935 1.00 0.00 O ATOM 236 C2' DG A 8 -8.794 -0.103 3.020 1.00 0.00 C ATOM 237 C1' DG A 8 -8.371 -1.433 2.386 1.00 0.00 C ATOM 238 N9 DG A 8 -7.157 -1.351 1.554 1.00 0.00 N ATOM 239 C8 DG A 8 -7.031 -1.022 0.235 1.00 0.00 C ATOM 240 N7 DG A 8 -5.811 -1.024 -0.219 1.00 0.00 N ATOM 241 C5 DG A 8 -5.057 -1.391 0.895 1.00 0.00 C ATOM 242 C6 DG A 8 -3.652 -1.566 1.029 1.00 0.00 C ATOM 243 O6 DG A 8 -2.780 -1.426 0.174 1.00 0.00 O ATOM 244 N1 DG A 8 -3.306 -1.940 2.322 1.00 0.00 N ATOM 245 C2 DG A 8 -4.199 -2.123 3.359 1.00 0.00 C ATOM 246 N2 DG A 8 -3.678 -2.488 4.530 1.00 0.00 N ATOM 247 N3 DG A 8 -5.517 -1.956 3.236 1.00 0.00 N ATOM 248 C4 DG A 8 -5.875 -1.592 1.984 1.00 0.00 C ATOM 0 H5' DG A 8 -11.973 -2.341 0.763 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.695 -0.987 1.610 1.00 0.00 H new ATOM 0 H4' DG A 8 -11.025 -2.001 2.935 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.528 0.823 2.043 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.242 0.735 2.593 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.604 -0.096 4.093 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.139 -2.124 3.196 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.881 -0.778 -0.386 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.317 -2.091 2.520 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.287 -2.639 5.334 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.670 -2.617 4.622 1.00 0.00 H new ATOM 260 P DG A 9 -10.901 1.624 4.701 1.00 0.00 P ATOM 261 OP1 DG A 9 -12.010 1.706 5.678 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.734 2.686 3.684 1.00 0.00 O ATOM 263 O5' DG A 9 -9.517 1.483 5.517 1.00 0.00 O ATOM 264 C5' DG A 9 -9.315 0.398 6.428 1.00 0.00 C ATOM 265 C4' DG A 9 -7.847 0.267 6.841 1.00 0.00 C ATOM 266 O4' DG A 9 -7.004 0.273 5.669 1.00 0.00 O ATOM 267 C3' DG A 9 -7.336 1.416 7.728 1.00 0.00 C ATOM 268 O3' DG A 9 -6.443 0.897 8.724 1.00 0.00 O ATOM 269 C2' DG A 9 -6.531 2.261 6.762 1.00 0.00 C ATOM 270 C1' DG A 9 -5.920 1.154 5.942 1.00 0.00 C ATOM 271 N9 DG A 9 -5.281 1.562 4.682 1.00 0.00 N ATOM 272 C8 DG A 9 -5.824 2.077 3.542 1.00 0.00 C ATOM 273 N7 DG A 9 -4.966 2.346 2.599 1.00 0.00 N ATOM 274 C5 DG A 9 -3.745 1.975 3.167 1.00 0.00 C ATOM 275 C6 DG A 9 -2.428 2.030 2.630 1.00 0.00 C ATOM 276 O6 DG A 9 -2.070 2.430 1.525 1.00 0.00 O ATOM 277 N1 DG A 9 -1.488 1.555 3.540 1.00 0.00 N ATOM 278 C2 DG A 9 -1.776 1.087 4.805 1.00 0.00 C ATOM 279 N2 DG A 9 -0.744 0.668 5.537 1.00 0.00 N ATOM 280 N3 DG A 9 -3.008 1.037 5.308 1.00 0.00 N ATOM 281 C4 DG A 9 -3.936 1.495 4.439 1.00 0.00 C ATOM 0 H5' DG A 9 -9.646 -0.531 5.965 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.930 0.549 7.315 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.799 -0.665 7.404 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.138 1.953 8.235 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.153 2.932 6.169 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.784 2.877 7.262 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.099 0.713 6.508 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.884 2.249 3.429 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.510 1.553 3.249 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.899 0.312 6.480 1.00 0.00 H new ATOM 0 H22 DG A 9 0.201 0.704 5.154 1.00 0.00 H new ATOM 293 P DC A 10 -6.989 0.232 10.082 1.00 0.00 P ATOM 294 OP1 DC A 10 -8.239 0.922 10.469 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.862 0.151 11.040 1.00 0.00 O ATOM 296 O5' DC A 10 -7.354 -1.263 9.614 1.00 0.00 O ATOM 297 C5' DC A 10 -6.321 -2.236 9.430 1.00 0.00 C ATOM 298 C4' DC A 10 -6.902 -3.619 9.165 1.00 0.00 C ATOM 299 O4' DC A 10 -7.657 -4.042 10.303 1.00 0.00 O ATOM 300 C3' DC A 10 -7.831 -3.666 7.963 1.00 0.00 C ATOM 301 O3' DC A 10 -7.749 -4.951 7.342 1.00 0.00 O ATOM 302 C2' DC A 10 -9.211 -3.471 8.571 1.00 0.00 C ATOM 303 C1' DC A 10 -9.055 -4.026 9.986 1.00 0.00 C ATOM 304 N1 DC A 10 -9.735 -3.231 11.028 1.00 0.00 N ATOM 305 C2 DC A 10 -11.061 -3.531 11.297 1.00 0.00 C ATOM 306 O2 DC A 10 -11.630 -4.422 10.670 1.00 0.00 O ATOM 307 N3 DC A 10 -11.701 -2.820 12.266 1.00 0.00 N ATOM 308 C4 DC A 10 -11.066 -1.854 12.943 1.00 0.00 C ATOM 309 N4 DC A 10 -11.721 -1.179 13.888 1.00 0.00 N ATOM 310 C5 DC A 10 -9.698 -1.539 12.668 1.00 0.00 C ATOM 311 C6 DC A 10 -9.074 -2.249 11.706 1.00 0.00 C ATOM 0 H5' DC A 10 -5.688 -2.269 10.317 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.685 -1.941 8.595 1.00 0.00 H new ATOM 0 H4' DC A 10 -6.052 -4.271 8.964 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.591 -2.923 7.203 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.501 -2.420 8.581 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.977 -4.008 8.011 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.513 -5.015 9.985 1.00 0.00 H new ATOM 0 H41 DC A 10 -11.247 -0.442 14.409 1.00 0.00 H new ATOM 0 H42 DC A 10 -12.696 -1.400 14.089 1.00 0.00 H new ATOM 0 H5 DC A 10 -9.183 -0.760 13.211 1.00 0.00 H new ATOM 0 H6 DC A 10 -8.041 -2.038 11.470 1.00 0.00 H new ATOM 323 P DG A 11 -6.763 -5.188 6.094 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.509 -3.883 5.447 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.289 -6.319 5.296 1.00 0.00 O ATOM 326 O5' DG A 11 -5.401 -5.666 6.808 1.00 0.00 O ATOM 327 C5' DG A 11 -5.345 -6.931 7.468 1.00 0.00 C ATOM 328 C4' DG A 11 -3.960 -7.220 8.041 1.00 0.00 C ATOM 329 O4' DG A 11 -3.070 -7.613 6.959 1.00 0.00 O ATOM 330 C3' DG A 11 -3.322 -6.049 8.771 1.00 0.00 C ATOM 331 O3' DG A 11 -2.706 -6.507 9.981 1.00 0.00 O ATOM 332 C2' DG A 11 -2.249 -5.566 7.797 1.00 0.00 C ATOM 333 C1' DG A 11 -1.857 -6.865 7.080 1.00 0.00 C ATOM 334 N9 DG A 11 -1.286 -6.683 5.731 1.00 0.00 N ATOM 335 C8 DG A 11 0.012 -6.821 5.335 1.00 0.00 C ATOM 336 N7 DG A 11 0.236 -6.586 4.079 1.00 0.00 N ATOM 337 C5 DG A 11 -1.026 -6.261 3.586 1.00 0.00 C ATOM 338 C6 DG A 11 -1.421 -5.905 2.269 1.00 0.00 C ATOM 339 O6 DG A 11 -0.721 -5.807 1.264 1.00 0.00 O ATOM 340 N1 DG A 11 -2.784 -5.652 2.198 1.00 0.00 N ATOM 341 C2 DG A 11 -3.661 -5.731 3.258 1.00 0.00 C ATOM 342 N2 DG A 11 -4.937 -5.448 2.989 1.00 0.00 N ATOM 343 N3 DG A 11 -3.294 -6.067 4.501 1.00 0.00 N ATOM 344 C4 DG A 11 -1.967 -6.317 4.591 1.00 0.00 C ATOM 0 H5' DG A 11 -5.617 -7.718 6.765 1.00 0.00 H new ATOM 0 H5'' DG A 11 -6.081 -6.953 8.272 1.00 0.00 H new ATOM 0 H4' DG A 11 -4.103 -8.013 8.775 1.00 0.00 H new ATOM 0 H3' DG A 11 -4.037 -5.273 9.045 1.00 0.00 H new ATOM 0 H2' DG A 11 -2.635 -4.818 7.104 1.00 0.00 H new ATOM 0 H2'' DG A 11 -1.402 -5.115 8.314 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.074 -7.353 7.660 1.00 0.00 H new ATOM 0 H8 DG A 11 0.798 -7.106 6.019 1.00 0.00 H new ATOM 0 H1 DG A 11 -3.166 -5.387 1.290 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.636 -5.488 3.731 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.214 -5.191 2.041 1.00 0.00 H new ATOM 356 P DG A 12 -2.233 -5.454 11.103 1.00 0.00 P ATOM 357 OP1 DG A 12 -1.936 -6.202 12.345 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.207 -4.342 11.123 1.00 0.00 O ATOM 359 O5' DG A 12 -0.844 -4.903 10.502 1.00 0.00 O ATOM 360 C5' DG A 12 0.293 -5.765 10.408 1.00 0.00 C ATOM 361 C4' DG A 12 1.359 -5.191 9.476 1.00 0.00 C ATOM 362 O4' DG A 12 0.900 -5.105 8.151 1.00 0.00 O ATOM 363 C3' DG A 12 1.804 -3.780 9.832 1.00 0.00 C ATOM 364 O3' DG A 12 2.904 -3.839 10.743 1.00 0.00 O ATOM 365 C2' DG A 12 2.262 -3.189 8.504 1.00 0.00 C ATOM 366 C1' DG A 12 1.747 -4.182 7.457 1.00 0.00 C ATOM 367 N9 DG A 12 0.955 -3.577 6.370 1.00 0.00 N ATOM 368 C8 DG A 12 -0.363 -3.218 6.362 1.00 0.00 C ATOM 369 N7 DG A 12 -0.785 -2.698 5.248 1.00 0.00 N ATOM 370 C5 DG A 12 0.350 -2.709 4.441 1.00 0.00 C ATOM 371 C6 DG A 12 0.519 -2.265 3.101 1.00 0.00 C ATOM 372 O6 DG A 12 -0.316 -1.758 2.355 1.00 0.00 O ATOM 373 N1 DG A 12 1.821 -2.458 2.661 1.00 0.00 N ATOM 374 C2 DG A 12 2.838 -3.010 3.413 1.00 0.00 C ATOM 375 N2 DG A 12 4.024 -3.118 2.813 1.00 0.00 N ATOM 376 N3 DG A 12 2.684 -3.427 4.673 1.00 0.00 N ATOM 377 C4 DG A 12 1.420 -3.247 5.120 1.00 0.00 C ATOM 0 H5' DG A 12 -0.021 -6.743 10.044 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.719 -5.916 11.400 1.00 0.00 H new ATOM 0 H4' DG A 12 2.190 -5.887 9.589 1.00 0.00 H new ATOM 0 H3' DG A 12 1.017 -3.193 10.305 1.00 0.00 H new ATOM 0 H2' DG A 12 1.848 -2.193 8.347 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.347 -3.093 8.463 1.00 0.00 H new ATOM 0 H1' DG A 12 2.617 -4.637 6.984 1.00 0.00 H new ATOM 0 H8 DG A 12 -1.007 -3.356 7.218 1.00 0.00 H new ATOM 0 H1 DG A 12 2.043 -2.170 1.708 1.00 0.00 H new ATOM 0 H21 DG A 12 4.816 -3.518 3.317 1.00 0.00 H new ATOM 0 H22 DG A 12 4.139 -2.801 1.851 1.00 0.00 H new ATOM 389 P DG A 13 3.415 -2.507 11.488 1.00 0.00 P ATOM 390 OP1 DG A 13 4.287 -2.912 12.613 1.00 0.00 O ATOM 391 OP2 DG A 13 2.243 -1.637 11.738 1.00 0.00 O ATOM 392 O5' DG A 13 4.332 -1.809 10.363 1.00 0.00 O ATOM 393 C5' DG A 13 5.494 -2.479 9.866 1.00 0.00 C ATOM 394 C4' DG A 13 6.052 -1.805 8.615 1.00 0.00 C ATOM 395 O4' DG A 13 5.093 -1.776 7.582 1.00 0.00 O ATOM 396 C3' DG A 13 6.470 -0.356 8.817 1.00 0.00 C ATOM 397 O3' DG A 13 7.842 -0.298 9.214 1.00 0.00 O ATOM 398 C2' DG A 13 6.311 0.261 7.428 1.00 0.00 C ATOM 399 C1' DG A 13 5.506 -0.780 6.645 1.00 0.00 C ATOM 400 N9 DG A 13 4.300 -0.248 5.984 1.00 0.00 N ATOM 401 C8 DG A 13 3.042 -0.080 6.487 1.00 0.00 C ATOM 402 N7 DG A 13 2.178 0.423 5.655 1.00 0.00 N ATOM 403 C5 DG A 13 2.926 0.607 4.493 1.00 0.00 C ATOM 404 C6 DG A 13 2.534 1.128 3.229 1.00 0.00 C ATOM 405 O6 DG A 13 1.429 1.542 2.884 1.00 0.00 O ATOM 406 N1 DG A 13 3.595 1.140 2.332 1.00 0.00 N ATOM 407 C2 DG A 13 4.874 0.705 2.612 1.00 0.00 C ATOM 408 N2 DG A 13 5.758 0.790 1.619 1.00 0.00 N ATOM 409 N3 DG A 13 5.245 0.218 3.799 1.00 0.00 N ATOM 410 C4 DG A 13 4.226 0.197 4.687 1.00 0.00 C ATOM 0 H5' DG A 13 5.245 -3.516 9.639 1.00 0.00 H new ATOM 0 H5'' DG A 13 6.261 -2.497 10.640 1.00 0.00 H new ATOM 0 H4' DG A 13 6.926 -2.407 8.366 1.00 0.00 H new ATOM 0 H3' DG A 13 5.887 0.154 9.584 1.00 0.00 H new ATOM 0 H2' DG A 13 5.788 1.216 7.474 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.279 0.449 6.962 1.00 0.00 H new ATOM 0 H1' DG A 13 6.148 -1.159 5.850 1.00 0.00 H new ATOM 0 H8 DG A 13 2.783 -0.345 7.501 1.00 0.00 H new ATOM 0 H1 DG A 13 3.414 1.498 1.394 1.00 0.00 H new ATOM 0 H21 DG A 13 6.720 0.484 1.765 1.00 0.00 H new ATOM 0 H22 DG A 13 5.473 1.161 0.713 1.00 0.00 H new ATOM 422 P DG A 14 8.395 0.964 10.043 1.00 0.00 P ATOM 423 OP1 DG A 14 9.760 0.645 10.518 1.00 0.00 O ATOM 424 OP2 DG A 14 7.354 1.371 11.013 1.00 0.00 O ATOM 425 O5' DG A 14 8.510 2.104 8.911 1.00 0.00 O ATOM 426 C5' DG A 14 9.367 1.923 7.779 1.00 0.00 C ATOM 427 C4' DG A 14 8.932 2.784 6.596 1.00 0.00 C ATOM 428 O4' DG A 14 7.522 2.610 6.403 1.00 0.00 O ATOM 429 C3' DG A 14 9.202 4.274 6.791 1.00 0.00 C ATOM 430 O3' DG A 14 10.142 4.709 5.803 1.00 0.00 O ATOM 431 C2' DG A 14 7.869 4.974 6.556 1.00 0.00 C ATOM 432 C1' DG A 14 6.836 3.856 6.536 1.00 0.00 C ATOM 433 N9 DG A 14 6.011 3.778 7.752 1.00 0.00 N ATOM 434 C8 DG A 14 6.387 3.486 9.030 1.00 0.00 C ATOM 435 N7 DG A 14 5.424 3.488 9.902 1.00 0.00 N ATOM 436 C5 DG A 14 4.304 3.808 9.137 1.00 0.00 C ATOM 437 C6 DG A 14 2.947 3.960 9.529 1.00 0.00 C ATOM 438 O6 DG A 14 2.461 3.843 10.651 1.00 0.00 O ATOM 439 N1 DG A 14 2.139 4.283 8.447 1.00 0.00 N ATOM 440 C2 DG A 14 2.579 4.442 7.149 1.00 0.00 C ATOM 441 N2 DG A 14 1.649 4.745 6.242 1.00 0.00 N ATOM 442 N3 DG A 14 3.854 4.303 6.778 1.00 0.00 N ATOM 443 C4 DG A 14 4.658 3.987 7.818 1.00 0.00 C ATOM 0 H5' DG A 14 9.364 0.873 7.485 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.391 2.174 8.054 1.00 0.00 H new ATOM 0 H4' DG A 14 9.516 2.459 5.735 1.00 0.00 H new ATOM 0 H3' DG A 14 9.604 4.491 7.781 1.00 0.00 H new ATOM 0 H2' DG A 14 7.656 5.694 7.346 1.00 0.00 H new ATOM 0 H2'' DG A 14 7.873 5.525 5.616 1.00 0.00 H new ATOM 0 H1' DG A 14 6.168 4.069 5.702 1.00 0.00 H new ATOM 0 H8 DG A 14 7.411 3.269 9.298 1.00 0.00 H new ATOM 0 H1 DG A 14 1.143 4.413 8.626 1.00 0.00 H new ATOM 0 H21 DG A 14 1.912 4.875 5.265 1.00 0.00 H new ATOM 0 H22 DG A 14 0.674 4.847 6.525 1.00 0.00 H new ATOM 455 P DC A 15 11.695 4.910 6.171 1.00 0.00 P ATOM 456 OP1 DC A 15 11.787 5.346 7.582 1.00 0.00 O ATOM 457 OP2 DC A 15 12.322 5.724 5.106 1.00 0.00 O ATOM 458 O5' DC A 15 12.275 3.414 6.066 1.00 0.00 O ATOM 459 C5' DC A 15 12.757 2.915 4.815 1.00 0.00 C ATOM 460 C4' DC A 15 13.512 1.601 4.989 1.00 0.00 C ATOM 461 O4' DC A 15 14.655 1.816 5.818 1.00 0.00 O ATOM 462 C3' DC A 15 12.685 0.498 5.637 1.00 0.00 C ATOM 463 O3' DC A 15 13.115 -0.774 5.147 1.00 0.00 O ATOM 464 C2' DC A 15 13.033 0.619 7.108 1.00 0.00 C ATOM 465 C1' DC A 15 14.445 1.192 7.093 1.00 0.00 C ATOM 466 N1 DC A 15 14.694 2.205 8.135 1.00 0.00 N ATOM 467 C2 DC A 15 15.123 1.750 9.371 1.00 0.00 C ATOM 468 O2 DC A 15 15.270 0.545 9.564 1.00 0.00 O ATOM 469 N3 DC A 15 15.368 2.664 10.347 1.00 0.00 N ATOM 470 C4 DC A 15 15.201 3.974 10.121 1.00 0.00 C ATOM 471 N4 DC A 15 15.452 4.842 11.101 1.00 0.00 N ATOM 472 C5 DC A 15 14.758 4.451 8.846 1.00 0.00 C ATOM 473 C6 DC A 15 14.518 3.536 7.886 1.00 0.00 C ATOM 0 H5' DC A 15 13.413 3.654 4.356 1.00 0.00 H new ATOM 0 H5'' DC A 15 11.919 2.766 4.134 1.00 0.00 H new ATOM 0 H4' DC A 15 13.780 1.276 3.984 1.00 0.00 H new ATOM 0 H3' DC A 15 11.617 0.584 5.436 1.00 0.00 H new ATOM 0 H2' DC A 15 12.339 1.276 7.632 1.00 0.00 H new ATOM 0 H2'' DC A 15 12.997 -0.348 7.610 1.00 0.00 H new ATOM 0 H1' DC A 15 15.125 0.362 7.284 1.00 0.00 H new ATOM 0 H41 DC A 15 15.329 5.842 10.941 1.00 0.00 H new ATOM 0 H42 DC A 15 15.768 4.506 12.011 1.00 0.00 H new ATOM 0 H5 DC A 15 14.621 5.506 8.660 1.00 0.00 H new ATOM 0 H6 DC A 15 14.183 3.858 6.911 1.00 0.00 H new ATOM 485 P DG A 16 12.489 -1.388 3.800 1.00 0.00 P ATOM 486 OP1 DG A 16 12.867 -2.816 3.725 1.00 0.00 O ATOM 487 OP2 DG A 16 12.820 -0.477 2.680 1.00 0.00 O ATOM 488 O5' DG A 16 10.904 -1.299 4.075 1.00 0.00 O ATOM 489 C5' DG A 16 10.334 -1.885 5.253 1.00 0.00 C ATOM 490 C4' DG A 16 8.814 -1.755 5.268 1.00 0.00 C ATOM 491 O4' DG A 16 8.475 -0.368 5.175 1.00 0.00 O ATOM 492 C3' DG A 16 8.127 -2.482 4.120 1.00 0.00 C ATOM 493 O3' DG A 16 6.955 -3.142 4.610 1.00 0.00 O ATOM 494 C2' DG A 16 7.723 -1.392 3.132 1.00 0.00 C ATOM 495 C1' DG A 16 7.915 -0.081 3.893 1.00 0.00 C ATOM 496 N9 DG A 16 8.819 0.868 3.218 1.00 0.00 N ATOM 497 C8 DG A 16 10.017 0.628 2.606 1.00 0.00 C ATOM 498 N7 DG A 16 10.587 1.670 2.082 1.00 0.00 N ATOM 499 C5 DG A 16 9.693 2.701 2.367 1.00 0.00 C ATOM 500 C6 DG A 16 9.767 4.084 2.048 1.00 0.00 C ATOM 501 O6 DG A 16 10.651 4.680 1.435 1.00 0.00 O ATOM 502 N1 DG A 16 8.661 4.775 2.524 1.00 0.00 N ATOM 503 C2 DG A 16 7.612 4.211 3.221 1.00 0.00 C ATOM 504 N2 DG A 16 6.642 5.042 3.603 1.00 0.00 N ATOM 505 N3 DG A 16 7.537 2.910 3.520 1.00 0.00 N ATOM 506 C4 DG A 16 8.608 2.218 3.064 1.00 0.00 C ATOM 0 H5' DG A 16 10.749 -1.402 6.137 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.610 -2.938 5.306 1.00 0.00 H new ATOM 0 H4' DG A 16 8.469 -2.210 6.196 1.00 0.00 H new ATOM 0 H3' DG A 16 8.774 -3.230 3.661 1.00 0.00 H new ATOM 0 H2' DG A 16 8.342 -1.423 2.235 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.689 -1.514 2.810 1.00 0.00 H new ATOM 0 H1' DG A 16 6.931 0.383 3.958 1.00 0.00 H new ATOM 0 H8 DG A 16 10.458 -0.357 2.561 1.00 0.00 H new ATOM 0 H1 DG A 16 8.621 5.778 2.344 1.00 0.00 H new ATOM 0 H21 DG A 16 5.840 4.685 4.122 1.00 0.00 H new ATOM 0 H22 DG A 16 6.702 6.035 3.377 1.00 0.00 H new ATOM 518 P DG A 17 6.969 -4.724 4.914 1.00 0.00 P ATOM 519 OP1 DG A 17 5.680 -5.087 5.543 1.00 0.00 O ATOM 520 OP2 DG A 17 8.244 -5.056 5.593 1.00 0.00 O ATOM 521 O5' DG A 17 6.996 -5.363 3.433 1.00 0.00 O ATOM 522 C5' DG A 17 7.743 -6.552 3.172 1.00 0.00 C ATOM 523 C4' DG A 17 8.118 -6.670 1.696 1.00 0.00 C ATOM 524 O4' DG A 17 7.019 -7.210 0.934 1.00 0.00 O ATOM 525 C3' DG A 17 8.512 -5.350 1.038 1.00 0.00 C ATOM 526 O3' DG A 17 9.942 -5.234 1.028 1.00 0.00 O ATOM 527 C2' DG A 17 7.993 -5.446 -0.398 1.00 0.00 C ATOM 528 C1' DG A 17 7.138 -6.717 -0.400 1.00 0.00 C ATOM 529 N9 DG A 17 5.780 -6.503 -0.919 1.00 0.00 N ATOM 530 C8 DG A 17 5.380 -6.365 -2.212 1.00 0.00 C ATOM 531 N7 DG A 17 4.108 -6.178 -2.383 1.00 0.00 N ATOM 532 C5 DG A 17 3.607 -6.193 -1.081 1.00 0.00 C ATOM 533 C6 DG A 17 2.273 -6.039 -0.616 1.00 0.00 C ATOM 534 O6 DG A 17 1.253 -5.857 -1.277 1.00 0.00 O ATOM 535 N1 DG A 17 2.203 -6.117 0.768 1.00 0.00 N ATOM 536 C2 DG A 17 3.280 -6.317 1.605 1.00 0.00 C ATOM 537 N2 DG A 17 3.012 -6.354 2.909 1.00 0.00 N ATOM 538 N3 DG A 17 4.538 -6.466 1.172 1.00 0.00 N ATOM 539 C4 DG A 17 4.627 -6.392 -0.177 1.00 0.00 C ATOM 0 H5' DG A 17 7.158 -7.422 3.470 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.648 -6.554 3.779 1.00 0.00 H new ATOM 0 H4' DG A 17 8.987 -7.328 1.688 1.00 0.00 H new ATOM 0 H3' DG A 17 8.104 -4.486 1.563 1.00 0.00 H new ATOM 0 H2' DG A 17 7.405 -4.569 -0.669 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.812 -5.515 -1.114 1.00 0.00 H new ATOM 0 H1' DG A 17 7.644 -7.426 -1.056 1.00 0.00 H new ATOM 0 H8 DG A 17 6.074 -6.408 -3.039 1.00 0.00 H new ATOM 0 H1 DG A 17 1.284 -6.019 1.199 1.00 0.00 H new ATOM 0 H21 DG A 17 3.766 -6.499 3.581 1.00 0.00 H new ATOM 0 H22 DG A 17 2.053 -6.237 3.236 1.00 0.00 H new ATOM 551 P DG A 18 10.650 -3.832 1.382 1.00 0.00 P ATOM 552 OP1 DG A 18 12.113 -4.001 1.240 1.00 0.00 O ATOM 553 OP2 DG A 18 10.084 -3.344 2.660 1.00 0.00 O ATOM 554 O5' DG A 18 10.133 -2.877 0.189 1.00 0.00 O ATOM 555 C5' DG A 18 10.590 -3.092 -1.150 1.00 0.00 C ATOM 556 C4' DG A 18 9.664 -2.455 -2.184 1.00 0.00 C ATOM 557 O4' DG A 18 8.374 -3.038 -2.097 1.00 0.00 O ATOM 558 C3' DG A 18 9.467 -0.968 -2.003 1.00 0.00 C ATOM 559 O3' DG A 18 10.492 -0.256 -2.698 1.00 0.00 O ATOM 560 C2' DG A 18 8.118 -0.726 -2.672 1.00 0.00 C ATOM 561 C1' DG A 18 7.428 -2.089 -2.615 1.00 0.00 C ATOM 562 N9 DG A 18 6.231 -2.105 -1.751 1.00 0.00 N ATOM 563 C8 DG A 18 6.135 -2.340 -0.409 1.00 0.00 C ATOM 564 N7 DG A 18 4.933 -2.253 0.082 1.00 0.00 N ATOM 565 C5 DG A 18 4.156 -1.934 -1.030 1.00 0.00 C ATOM 566 C6 DG A 18 2.754 -1.709 -1.130 1.00 0.00 C ATOM 567 O6 DG A 18 1.910 -1.747 -0.239 1.00 0.00 O ATOM 568 N1 DG A 18 2.378 -1.417 -2.435 1.00 0.00 N ATOM 569 C2 DG A 18 3.240 -1.347 -3.511 1.00 0.00 C ATOM 570 N2 DG A 18 2.694 -1.059 -4.691 1.00 0.00 N ATOM 571 N3 DG A 18 4.557 -1.555 -3.420 1.00 0.00 N ATOM 572 C4 DG A 18 4.943 -1.843 -2.156 1.00 0.00 C ATOM 0 H5' DG A 18 10.662 -4.163 -1.340 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.593 -2.680 -1.260 1.00 0.00 H new ATOM 0 H4' DG A 18 10.149 -2.630 -3.144 1.00 0.00 H new ATOM 0 H3' DG A 18 9.503 -0.643 -0.963 1.00 0.00 H new ATOM 0 H2' DG A 18 7.542 0.035 -2.146 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.238 -0.382 -3.699 1.00 0.00 H new ATOM 0 H1' DG A 18 7.096 -2.333 -3.624 1.00 0.00 H new ATOM 0 H8 DG A 18 6.994 -2.580 0.200 1.00 0.00 H new ATOM 0 H1 DG A 18 1.389 -1.241 -2.612 1.00 0.00 H new ATOM 0 H21 DG A 18 3.281 -0.994 -5.522 1.00 0.00 H new ATOM 0 H22 DG A 18 1.688 -0.904 -4.763 1.00 0.00 H new ATOM 584 P DG A 19 10.794 1.280 -2.332 1.00 0.00 P ATOM 585 OP1 DG A 19 12.054 1.676 -2.999 1.00 0.00 O ATOM 586 OP2 DG A 19 10.656 1.435 -0.866 1.00 0.00 O ATOM 587 O5' DG A 19 9.572 2.055 -3.046 1.00 0.00 O ATOM 588 C5' DG A 19 9.467 2.075 -4.473 1.00 0.00 C ATOM 589 C4' DG A 19 8.136 2.655 -4.947 1.00 0.00 C ATOM 590 O4' DG A 19 7.053 1.893 -4.435 1.00 0.00 O ATOM 591 C3' DG A 19 7.886 4.083 -4.511 1.00 0.00 C ATOM 592 O3' DG A 19 8.450 4.993 -5.460 1.00 0.00 O ATOM 593 C2' DG A 19 6.367 4.187 -4.534 1.00 0.00 C ATOM 594 C1' DG A 19 5.892 2.742 -4.384 1.00 0.00 C ATOM 595 N9 DG A 19 5.186 2.484 -3.116 1.00 0.00 N ATOM 596 C8 DG A 19 5.692 2.106 -1.906 1.00 0.00 C ATOM 597 N7 DG A 19 4.815 1.986 -0.953 1.00 0.00 N ATOM 598 C5 DG A 19 3.614 2.310 -1.582 1.00 0.00 C ATOM 599 C6 DG A 19 2.293 2.357 -1.056 1.00 0.00 C ATOM 600 O6 DG A 19 1.921 2.122 0.091 1.00 0.00 O ATOM 601 N1 DG A 19 1.372 2.726 -2.028 1.00 0.00 N ATOM 602 C2 DG A 19 1.681 3.015 -3.342 1.00 0.00 C ATOM 603 N2 DG A 19 0.659 3.346 -4.131 1.00 0.00 N ATOM 604 N3 DG A 19 2.920 2.975 -3.838 1.00 0.00 N ATOM 605 C4 DG A 19 3.833 2.615 -2.906 1.00 0.00 C ATOM 0 H5' DG A 19 9.577 1.061 -4.858 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.286 2.663 -4.887 1.00 0.00 H new ATOM 0 H4' DG A 19 8.200 2.625 -6.035 1.00 0.00 H new ATOM 0 H3' DG A 19 8.325 4.322 -3.543 1.00 0.00 H new ATOM 0 H2' DG A 19 5.998 4.814 -3.722 1.00 0.00 H new ATOM 0 H2'' DG A 19 6.012 4.629 -5.465 1.00 0.00 H new ATOM 0 H1' DG A 19 5.185 2.542 -5.189 1.00 0.00 H new ATOM 0 H8 DG A 19 6.745 1.920 -1.751 1.00 0.00 H new ATOM 0 H1 DG A 19 0.393 2.788 -1.750 1.00 0.00 H new ATOM 0 H21 DG A 19 0.824 3.570 -5.112 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.288 3.375 -3.754 1.00 0.00 H new ATOM 617 P DT A 20 8.932 6.453 -4.982 1.00 0.00 P ATOM 618 OP1 DT A 20 9.547 7.147 -6.136 1.00 0.00 O ATOM 619 OP2 DT A 20 9.693 6.292 -3.724 1.00 0.00 O ATOM 620 O5' DT A 20 7.540 7.183 -4.637 1.00 0.00 O ATOM 621 C5' DT A 20 6.588 7.431 -5.670 1.00 0.00 C ATOM 622 C4' DT A 20 5.225 7.839 -5.109 1.00 0.00 C ATOM 623 O4' DT A 20 4.812 6.905 -4.089 1.00 0.00 O ATOM 624 C3' DT A 20 5.205 9.210 -4.449 1.00 0.00 C ATOM 625 O3' DT A 20 4.987 10.265 -5.396 1.00 0.00 O ATOM 626 C2' DT A 20 4.035 9.063 -3.490 1.00 0.00 C ATOM 627 C1' DT A 20 4.255 7.646 -2.992 1.00 0.00 C ATOM 628 N1 DT A 20 5.204 7.565 -1.874 1.00 0.00 N ATOM 629 C2 DT A 20 4.704 7.749 -0.602 1.00 0.00 C ATOM 630 O2 DT A 20 3.506 7.926 -0.391 1.00 0.00 O ATOM 631 N3 DT A 20 5.629 7.717 0.422 1.00 0.00 N ATOM 632 C4 DT A 20 6.992 7.518 0.282 1.00 0.00 C ATOM 633 O4 DT A 20 7.729 7.517 1.264 1.00 0.00 O ATOM 634 C5 DT A 20 7.421 7.332 -1.087 1.00 0.00 C ATOM 635 C7 DT A 20 8.900 7.113 -1.389 1.00 0.00 C ATOM 636 C6 DT A 20 6.536 7.358 -2.101 1.00 0.00 C ATOM 0 H5' DT A 20 6.475 6.535 -6.281 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.961 8.219 -6.325 1.00 0.00 H new ATOM 0 H4' DT A 20 4.563 7.853 -5.975 1.00 0.00 H new ATOM 0 H3' DT A 20 6.146 9.481 -3.970 1.00 0.00 H new ATOM 0 H2' DT A 20 4.067 9.795 -2.683 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.073 9.181 -3.989 1.00 0.00 H new ATOM 0 HO3' DT A 20 4.980 11.127 -4.930 1.00 0.00 H new ATOM 0 H1' DT A 20 3.301 7.257 -2.637 1.00 0.00 H new ATOM 0 H3 DT A 20 5.276 7.852 1.369 1.00 0.00 H new ATOM 0 H71 DT A 20 9.504 7.627 -0.641 1.00 0.00 H new ATOM 0 H72 DT A 20 9.122 6.046 -1.364 1.00 0.00 H new ATOM 0 H73 DT A 20 9.132 7.509 -2.378 1.00 0.00 H new ATOM 0 H6 DT A 20 6.885 7.213 -3.113 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.302 5.751 0.940 1.00 0.00 C HETATM 652 C2 BER A 101 -1.619 6.010 0.577 1.00 0.00 C HETATM 653 N1 BER A 101 0.000 5.567 2.233 1.00 0.00 N HETATM 654 C3 BER A 101 0.685 5.702 -0.036 1.00 0.00 C HETATM 655 C4 BER A 101 -2.605 6.101 1.550 1.00 0.00 C HETATM 656 C5 BER A 101 -1.976 6.207 -0.750 1.00 0.00 C HETATM 657 C6 BER A 101 1.324 5.311 2.616 1.00 0.00 C HETATM 658 C7 BER A 101 -1.081 5.272 3.201 1.00 0.00 C HETATM 659 C8 BER A 101 2.004 5.454 0.319 1.00 0.00 C HETATM 660 C9 BER A 101 -3.900 6.385 1.136 1.00 0.00 C HETATM 661 C10 BER A 101 -2.253 6.208 2.891 1.00 0.00 C HETATM 662 C11 BER A 101 -3.236 6.480 -1.083 1.00 0.00 C HETATM 663 C12 BER A 101 2.325 5.242 1.655 1.00 0.00 C HETATM 664 C13 BER A 101 2.967 5.288 -0.671 1.00 0.00 C HETATM 665 C14 BER A 101 -4.185 6.557 -0.153 1.00 0.00 C HETATM 666 O1 BER A 101 -3.756 6.674 -2.323 1.00 0.00 O HETATM 667 C15 BER A 101 3.622 4.888 2.007 1.00 0.00 C HETATM 668 C16 BER A 101 4.266 4.938 -0.324 1.00 0.00 C HETATM 669 O2 BER A 101 -5.391 6.831 -0.720 1.00 0.00 O HETATM 670 C17 BER A 101 -5.086 7.161 -2.083 1.00 0.00 C HETATM 671 C18 BER A 101 4.585 4.746 1.015 1.00 0.00 C HETATM 672 O3 BER A 101 3.942 4.659 3.310 1.00 0.00 O HETATM 673 O4 BER A 101 5.857 4.495 1.425 1.00 0.00 O HETATM 674 C19 BER A 101 3.917 5.888 4.039 1.00 0.00 C HETATM 675 C20 BER A 101 6.717 4.404 0.286 1.00 0.00 C HETATM 0 H203 BER A 101 6.379 3.595 -0.362 1.00 0.00 H new HETATM 0 H202 BER A 101 6.692 5.344 -0.265 1.00 0.00 H new HETATM 0 H201 BER A 101 7.737 4.203 0.615 1.00 0.00 H new HETATM 0 H193 BER A 101 4.639 6.582 3.608 1.00 0.00 H new HETATM 0 H192 BER A 101 2.919 6.323 3.985 1.00 0.00 H new HETATM 0 H191 BER A 101 4.174 5.698 5.081 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.142 8.237 -2.245 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.799 6.698 -2.765 1.00 0.00 H new HETATM 0 H161 BER A 101 5.027 4.815 -1.094 1.00 0.00 H new HETATM 0 H131 BER A 101 2.703 5.432 -1.719 1.00 0.00 H new HETATM 0 H102 BER A 101 -1.978 7.237 3.122 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.106 5.957 3.521 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.695 6.468 1.877 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.392 4.230 3.121 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.731 5.423 4.222 1.00 0.00 H new HETATM 0 H61 BER A 101 1.568 5.166 3.668 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.216 6.137 -1.528 1.00 0.00 H new HETATM 0 H31 BER A 101 0.423 5.859 -1.083 1.00 0.00 H new