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 Set 1.1: A 3 DT C7 :methyl -30:sc= -0.0381 (180deg=0) USER MOD Set 1.2: A 4 DT C7 :methyl -30:sc= -5.08! (180deg=-5.13!) USER MOD Single : A 1 DG O5' : rot 105:sc= 1.21 USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.0808 (180deg=-0.0808) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= -2.91! (180deg=-3.85!) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.361 9.812 -0.899 1.00 0.00 O ATOM 2 C5' DG A 1 -2.796 8.763 -0.028 1.00 0.00 C ATOM 3 C4' DG A 1 -2.463 9.074 1.444 1.00 0.00 C ATOM 4 O4' DG A 1 -2.907 8.033 2.336 1.00 0.00 O ATOM 5 C3' DG A 1 -0.982 9.241 1.699 1.00 0.00 C ATOM 6 O3' DG A 1 -0.666 10.179 2.738 1.00 0.00 O ATOM 7 C2' DG A 1 -0.594 7.858 2.071 1.00 0.00 C ATOM 8 C1' DG A 1 -1.734 7.450 2.935 1.00 0.00 C ATOM 9 N9 DG A 1 -1.765 5.986 3.043 1.00 0.00 N ATOM 10 C8 DG A 1 -1.412 5.218 4.091 1.00 0.00 C ATOM 11 N7 DG A 1 -1.519 3.932 3.926 1.00 0.00 N ATOM 12 C5 DG A 1 -1.995 3.841 2.618 1.00 0.00 C ATOM 13 C6 DG A 1 -2.318 2.696 1.834 1.00 0.00 C ATOM 14 O6 DG A 1 -2.243 1.513 2.151 1.00 0.00 O ATOM 15 N1 DG A 1 -2.764 3.045 0.567 1.00 0.00 N ATOM 16 C2 DG A 1 -2.882 4.351 0.115 1.00 0.00 C ATOM 17 N2 DG A 1 -3.320 4.551 -1.122 1.00 0.00 N ATOM 18 N3 DG A 1 -2.579 5.422 0.847 1.00 0.00 N ATOM 19 C4 DG A 1 -2.147 5.093 2.078 1.00 0.00 C ATOM 0 H5' DG A 1 -2.320 7.827 -0.319 1.00 0.00 H new ATOM 0 H5'' DG A 1 -3.871 8.622 -0.136 1.00 0.00 H new ATOM 0 H4' DG A 1 -2.987 10.010 1.637 1.00 0.00 H new ATOM 0 H3' DG A 1 -0.452 9.655 0.841 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.490 7.213 1.199 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.356 7.828 2.605 1.00 0.00 H new ATOM 0 HO5' DG A 1 -1.558 9.525 -1.382 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.657 7.804 3.963 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.059 5.646 5.018 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.021 2.293 -0.073 1.00 0.00 H new ATOM 0 H21 DG A 1 -3.417 5.501 -1.481 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.560 3.755 -1.713 1.00 0.00 H new ATOM 32 P DG A 2 0.705 11.035 2.690 1.00 0.00 P ATOM 33 OP1 DG A 2 0.665 11.998 3.814 1.00 0.00 O ATOM 34 OP2 DG A 2 0.882 11.538 1.309 1.00 0.00 O ATOM 35 O5' DG A 2 1.877 9.950 2.977 1.00 0.00 O ATOM 36 C5' DG A 2 2.449 9.772 4.283 1.00 0.00 C ATOM 37 C4' DG A 2 3.520 8.672 4.330 1.00 0.00 C ATOM 38 O4' DG A 2 2.968 7.378 4.093 1.00 0.00 O ATOM 39 C3' DG A 2 4.724 8.891 3.418 1.00 0.00 C ATOM 40 O3' DG A 2 5.911 9.067 4.218 1.00 0.00 O ATOM 41 C2' DG A 2 4.639 7.659 2.515 1.00 0.00 C ATOM 42 C1' DG A 2 3.902 6.622 3.329 1.00 0.00 C ATOM 43 N9 DG A 2 3.071 5.748 2.506 1.00 0.00 N ATOM 44 C8 DG A 2 2.301 6.090 1.458 1.00 0.00 C ATOM 45 N7 DG A 2 1.634 5.126 0.898 1.00 0.00 N ATOM 46 C5 DG A 2 2.012 4.026 1.667 1.00 0.00 C ATOM 47 C6 DG A 2 1.626 2.667 1.563 1.00 0.00 C ATOM 48 O6 DG A 2 0.854 2.160 0.754 1.00 0.00 O ATOM 49 N1 DG A 2 2.241 1.889 2.537 1.00 0.00 N ATOM 50 C2 DG A 2 3.120 2.366 3.493 1.00 0.00 C ATOM 51 N2 DG A 2 3.629 1.495 4.360 1.00 0.00 N ATOM 52 N3 DG A 2 3.480 3.643 3.589 1.00 0.00 N ATOM 53 C4 DG A 2 2.890 4.407 2.650 1.00 0.00 C ATOM 0 H5' DG A 2 1.656 9.528 4.990 1.00 0.00 H new ATOM 0 H5'' DG A 2 2.890 10.713 4.611 1.00 0.00 H new ATOM 0 H4' DG A 2 3.899 8.733 5.350 1.00 0.00 H new ATOM 0 H3' DG A 2 4.747 9.792 2.805 1.00 0.00 H new ATOM 0 H2' DG A 2 4.108 7.884 1.590 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.632 7.307 2.235 1.00 0.00 H new ATOM 0 H1' DG A 2 4.622 6.018 3.882 1.00 0.00 H new ATOM 0 H8 DG A 2 2.241 7.108 1.102 1.00 0.00 H new ATOM 0 H1 DG A 2 2.028 0.891 2.548 1.00 0.00 H new ATOM 0 H21 DG A 2 4.280 1.812 5.078 1.00 0.00 H new ATOM 0 H22 DG A 2 3.368 0.510 4.306 1.00 0.00 H new ATOM 65 P DT A 3 7.058 7.981 4.566 1.00 0.00 P ATOM 66 OP1 DT A 3 6.433 6.649 4.733 1.00 0.00 O ATOM 67 OP2 DT A 3 7.901 8.535 5.649 1.00 0.00 O ATOM 68 O5' DT A 3 7.916 7.973 3.205 1.00 0.00 O ATOM 69 C5' DT A 3 8.618 9.135 2.729 1.00 0.00 C ATOM 70 C4' DT A 3 8.876 9.031 1.225 1.00 0.00 C ATOM 71 O4' DT A 3 9.607 7.819 0.993 1.00 0.00 O ATOM 72 C3' DT A 3 7.552 8.889 0.462 1.00 0.00 C ATOM 73 O3' DT A 3 7.090 10.068 -0.210 1.00 0.00 O ATOM 74 C2' DT A 3 7.847 7.798 -0.536 1.00 0.00 C ATOM 75 C1' DT A 3 9.257 7.328 -0.307 1.00 0.00 C ATOM 76 N1 DT A 3 9.248 5.842 -0.324 1.00 0.00 N ATOM 77 C2 DT A 3 9.674 5.177 -1.468 1.00 0.00 C ATOM 78 O2 DT A 3 10.068 5.759 -2.479 1.00 0.00 O ATOM 79 N3 DT A 3 9.629 3.794 -1.413 1.00 0.00 N ATOM 80 C4 DT A 3 9.206 3.030 -0.337 1.00 0.00 C ATOM 81 O4 DT A 3 9.209 1.803 -0.410 1.00 0.00 O ATOM 82 C5 DT A 3 8.786 3.807 0.811 1.00 0.00 C ATOM 83 C7 DT A 3 8.308 3.092 2.081 1.00 0.00 C ATOM 84 C6 DT A 3 8.816 5.155 0.782 1.00 0.00 C ATOM 0 H5' DT A 3 9.565 9.237 3.259 1.00 0.00 H new ATOM 0 H5'' DT A 3 8.035 10.031 2.942 1.00 0.00 H new ATOM 0 H4' DT A 3 9.410 9.921 0.893 1.00 0.00 H new ATOM 0 H3' DT A 3 6.741 8.678 1.160 1.00 0.00 H new ATOM 0 H2' DT A 3 7.146 6.972 -0.416 1.00 0.00 H new ATOM 0 H2'' DT A 3 7.730 8.171 -1.554 1.00 0.00 H new ATOM 0 H1' DT A 3 9.965 7.677 -1.059 1.00 0.00 H new ATOM 0 H3 DT A 3 9.937 3.289 -2.244 1.00 0.00 H new ATOM 0 H71 DT A 3 7.852 2.139 1.812 1.00 0.00 H new ATOM 0 H72 DT A 3 9.158 2.914 2.740 1.00 0.00 H new ATOM 0 H73 DT A 3 7.574 3.714 2.594 1.00 0.00 H new ATOM 0 H6 DT A 3 8.492 5.708 1.651 1.00 0.00 H new ATOM 97 P DT A 4 5.508 10.348 -0.425 1.00 0.00 P ATOM 98 OP1 DT A 4 5.377 11.593 -1.217 1.00 0.00 O ATOM 99 OP2 DT A 4 4.842 10.262 0.892 1.00 0.00 O ATOM 100 O5' DT A 4 4.972 9.112 -1.332 1.00 0.00 O ATOM 101 C5' DT A 4 4.935 9.165 -2.765 1.00 0.00 C ATOM 102 C4' DT A 4 4.017 8.080 -3.383 1.00 0.00 C ATOM 103 O4' DT A 4 4.430 6.722 -3.287 1.00 0.00 O ATOM 104 C3' DT A 4 2.535 8.156 -3.005 1.00 0.00 C ATOM 105 O3' DT A 4 1.633 8.584 -4.043 1.00 0.00 O ATOM 106 C2' DT A 4 2.259 6.749 -2.603 1.00 0.00 C ATOM 107 C1' DT A 4 3.243 5.894 -3.360 1.00 0.00 C ATOM 108 N1 DT A 4 3.512 4.711 -2.519 1.00 0.00 N ATOM 109 C2 DT A 4 2.989 3.457 -2.782 1.00 0.00 C ATOM 110 O2 DT A 4 2.269 3.210 -3.747 1.00 0.00 O ATOM 111 N3 DT A 4 3.333 2.477 -1.862 1.00 0.00 N ATOM 112 C4 DT A 4 4.134 2.650 -0.739 1.00 0.00 C ATOM 113 O4 DT A 4 4.363 1.700 0.006 1.00 0.00 O ATOM 114 C5 DT A 4 4.624 4.002 -0.568 1.00 0.00 C ATOM 115 C7 DT A 4 5.512 4.365 0.620 1.00 0.00 C ATOM 116 C6 DT A 4 4.297 4.949 -1.453 1.00 0.00 C ATOM 0 H5' DT A 4 5.946 9.044 -3.155 1.00 0.00 H new ATOM 0 H5'' DT A 4 4.588 10.150 -3.079 1.00 0.00 H new ATOM 0 H4' DT A 4 4.141 8.379 -4.424 1.00 0.00 H new ATOM 0 H3' DT A 4 2.365 8.917 -2.244 1.00 0.00 H new ATOM 0 H2' DT A 4 2.379 6.621 -1.527 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.234 6.469 -2.845 1.00 0.00 H new ATOM 0 H1' DT A 4 2.932 5.593 -4.361 1.00 0.00 H new ATOM 0 H3 DT A 4 2.963 1.541 -2.025 1.00 0.00 H new ATOM 0 H71 DT A 4 5.264 3.727 1.468 1.00 0.00 H new ATOM 0 H72 DT A 4 6.558 4.219 0.350 1.00 0.00 H new ATOM 0 H73 DT A 4 5.349 5.408 0.891 1.00 0.00 H new ATOM 0 H6 DT A 4 4.680 5.948 -1.306 1.00 0.00 H new ATOM 129 P DG A 5 0.139 9.165 -3.752 1.00 0.00 P ATOM 130 OP1 DG A 5 0.027 10.444 -4.491 1.00 0.00 O ATOM 131 OP2 DG A 5 -0.089 9.160 -2.292 1.00 0.00 O ATOM 132 O5' DG A 5 -0.939 8.122 -4.395 1.00 0.00 O ATOM 133 C5' DG A 5 -1.341 8.233 -5.771 1.00 0.00 C ATOM 134 C4' DG A 5 -2.211 7.102 -6.331 1.00 0.00 C ATOM 135 O4' DG A 5 -1.598 5.829 -6.069 1.00 0.00 O ATOM 136 C3' DG A 5 -3.697 6.930 -6.009 1.00 0.00 C ATOM 137 O3' DG A 5 -4.332 6.796 -7.296 1.00 0.00 O ATOM 138 C2' DG A 5 -3.701 5.741 -5.113 1.00 0.00 C ATOM 139 C1' DG A 5 -2.638 4.885 -5.772 1.00 0.00 C ATOM 140 N9 DG A 5 -2.061 3.792 -4.987 1.00 0.00 N ATOM 141 C8 DG A 5 -2.017 2.485 -5.308 1.00 0.00 C ATOM 142 N7 DG A 5 -1.411 1.699 -4.462 1.00 0.00 N ATOM 143 C5 DG A 5 -1.014 2.601 -3.469 1.00 0.00 C ATOM 144 C6 DG A 5 -0.303 2.382 -2.259 1.00 0.00 C ATOM 145 O6 DG A 5 0.129 1.329 -1.800 1.00 0.00 O ATOM 146 N1 DG A 5 -0.112 3.558 -1.557 1.00 0.00 N ATOM 147 C2 DG A 5 -0.547 4.804 -1.955 1.00 0.00 C ATOM 148 N2 DG A 5 -0.275 5.819 -1.140 1.00 0.00 N ATOM 149 N3 DG A 5 -1.216 5.017 -3.087 1.00 0.00 N ATOM 150 C4 DG A 5 -1.410 3.878 -3.788 1.00 0.00 C ATOM 0 H5' DG A 5 -0.442 8.304 -6.383 1.00 0.00 H new ATOM 0 H5'' DG A 5 -1.884 9.171 -5.892 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.242 7.456 -7.361 1.00 0.00 H new ATOM 0 H3' DG A 5 -4.237 7.726 -5.496 1.00 0.00 H new ATOM 0 H2' DG A 5 -3.446 5.998 -4.085 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.672 5.247 -5.087 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.096 4.362 -6.611 1.00 0.00 H new ATOM 0 H8 DG A 5 -2.460 2.108 -6.218 1.00 0.00 H new ATOM 0 H1 DG A 5 0.392 3.499 -0.672 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.573 6.763 -1.384 1.00 0.00 H new ATOM 0 H22 DG A 5 0.232 5.653 -0.271 1.00 0.00 H new ATOM 162 P DG A 6 -5.923 6.709 -7.523 1.00 0.00 P ATOM 163 OP1 DG A 6 -6.228 6.912 -8.960 1.00 0.00 O ATOM 164 OP2 DG A 6 -6.619 7.507 -6.490 1.00 0.00 O ATOM 165 O5' DG A 6 -6.081 5.166 -7.166 1.00 0.00 O ATOM 166 C5' DG A 6 -5.658 4.157 -8.092 1.00 0.00 C ATOM 167 C4' DG A 6 -5.894 2.763 -7.470 1.00 0.00 C ATOM 168 O4' DG A 6 -4.917 2.166 -6.590 1.00 0.00 O ATOM 169 C3' DG A 6 -7.273 2.633 -6.864 1.00 0.00 C ATOM 170 O3' DG A 6 -7.989 1.567 -7.439 1.00 0.00 O ATOM 171 C2' DG A 6 -6.876 2.375 -5.466 1.00 0.00 C ATOM 172 C1' DG A 6 -5.666 1.485 -5.569 1.00 0.00 C ATOM 173 N9 DG A 6 -4.924 1.344 -4.304 1.00 0.00 N ATOM 174 C8 DG A 6 -4.563 2.374 -3.537 1.00 0.00 C ATOM 175 N7 DG A 6 -3.946 2.122 -2.441 1.00 0.00 N ATOM 176 C5 DG A 6 -3.876 0.744 -2.470 1.00 0.00 C ATOM 177 C6 DG A 6 -3.303 -0.105 -1.523 1.00 0.00 C ATOM 178 O6 DG A 6 -2.763 0.241 -0.470 1.00 0.00 O ATOM 179 N1 DG A 6 -3.414 -1.440 -1.893 1.00 0.00 N ATOM 180 C2 DG A 6 -4.019 -1.901 -3.052 1.00 0.00 C ATOM 181 N2 DG A 6 -4.023 -3.221 -3.270 1.00 0.00 N ATOM 182 N3 DG A 6 -4.574 -1.076 -3.954 1.00 0.00 N ATOM 183 C4 DG A 6 -4.467 0.231 -3.606 1.00 0.00 C ATOM 0 H5' DG A 6 -4.603 4.287 -8.332 1.00 0.00 H new ATOM 0 H5'' DG A 6 -6.211 4.250 -9.026 1.00 0.00 H new ATOM 0 H4' DG A 6 -5.771 2.164 -8.372 1.00 0.00 H new ATOM 0 H3' DG A 6 -7.945 3.480 -7.002 1.00 0.00 H new ATOM 0 H2' DG A 6 -6.642 3.302 -4.944 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.678 1.890 -4.910 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.903 0.447 -5.801 1.00 0.00 H new ATOM 0 H8 DG A 6 -4.784 3.390 -3.830 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.019 -2.136 -1.261 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.459 -3.598 -4.112 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.590 -3.851 -2.594 1.00 0.00 H new ATOM 195 P DT A 7 -8.874 1.675 -8.784 1.00 0.00 P ATOM 196 OP1 DT A 7 -8.026 1.427 -9.970 1.00 0.00 O ATOM 197 OP2 DT A 7 -9.808 2.826 -8.738 1.00 0.00 O ATOM 198 O5' DT A 7 -9.650 0.343 -8.418 1.00 0.00 O ATOM 199 C5' DT A 7 -10.761 0.285 -7.537 1.00 0.00 C ATOM 200 C4' DT A 7 -10.699 -0.986 -6.703 1.00 0.00 C ATOM 201 O4' DT A 7 -10.600 -2.129 -7.536 1.00 0.00 O ATOM 202 C3' DT A 7 -9.649 -1.068 -5.588 1.00 0.00 C ATOM 203 O3' DT A 7 -10.088 -2.007 -4.590 1.00 0.00 O ATOM 204 C2' DT A 7 -8.575 -1.716 -6.428 1.00 0.00 C ATOM 205 C1' DT A 7 -9.344 -2.745 -7.283 1.00 0.00 C ATOM 206 N1 DT A 7 -8.790 -3.004 -8.620 1.00 0.00 N ATOM 207 C2 DT A 7 -8.382 -4.288 -8.957 1.00 0.00 C ATOM 208 O2 DT A 7 -8.423 -5.235 -8.172 1.00 0.00 O ATOM 209 N3 DT A 7 -7.913 -4.448 -10.246 1.00 0.00 N ATOM 210 C4 DT A 7 -7.819 -3.460 -11.210 1.00 0.00 C ATOM 211 O4 DT A 7 -7.382 -3.734 -12.326 1.00 0.00 O ATOM 212 C5 DT A 7 -8.266 -2.149 -10.772 1.00 0.00 C ATOM 213 C7 DT A 7 -8.215 -0.994 -11.777 1.00 0.00 C ATOM 214 C6 DT A 7 -8.729 -1.965 -9.501 1.00 0.00 C ATOM 0 H5' DT A 7 -11.689 0.310 -8.107 1.00 0.00 H new ATOM 0 H5'' DT A 7 -10.764 1.158 -6.884 1.00 0.00 H new ATOM 0 H4' DT A 7 -11.644 -0.954 -6.162 1.00 0.00 H new ATOM 0 H3' DT A 7 -9.400 -0.147 -5.060 1.00 0.00 H new ATOM 0 H2' DT A 7 -8.059 -0.985 -7.051 1.00 0.00 H new ATOM 0 H2'' DT A 7 -7.819 -2.197 -5.808 1.00 0.00 H new ATOM 0 H1' DT A 7 -9.335 -3.689 -6.738 1.00 0.00 H new ATOM 0 H3 DT A 7 -7.607 -5.384 -10.513 1.00 0.00 H new ATOM 0 H71 DT A 7 -9.007 -0.280 -11.551 1.00 0.00 H new ATOM 0 H72 DT A 7 -7.248 -0.496 -11.710 1.00 0.00 H new ATOM 0 H73 DT A 7 -8.354 -1.383 -12.786 1.00 0.00 H new ATOM 0 H6 DT A 7 -9.052 -0.983 -9.189 1.00 0.00 H new ATOM 227 P DG A 8 -10.576 -1.621 -3.103 1.00 0.00 P ATOM 228 OP1 DG A 8 -11.301 -2.788 -2.555 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.249 -0.301 -3.158 1.00 0.00 O ATOM 230 O5' DG A 8 -9.192 -1.444 -2.289 1.00 0.00 O ATOM 231 C5' DG A 8 -8.467 -2.490 -1.611 1.00 0.00 C ATOM 232 C4' DG A 8 -7.521 -1.823 -0.563 1.00 0.00 C ATOM 233 O4' DG A 8 -6.445 -0.918 -0.929 1.00 0.00 O ATOM 234 C3' DG A 8 -8.150 -1.386 0.739 1.00 0.00 C ATOM 235 O3' DG A 8 -7.587 -2.125 1.822 1.00 0.00 O ATOM 236 C2' DG A 8 -7.748 0.035 0.618 1.00 0.00 C ATOM 237 C1' DG A 8 -6.373 0.181 0.029 1.00 0.00 C ATOM 238 N9 DG A 8 -6.553 1.409 -0.766 1.00 0.00 N ATOM 239 C8 DG A 8 -6.925 1.438 -2.057 1.00 0.00 C ATOM 240 N7 DG A 8 -7.081 2.607 -2.588 1.00 0.00 N ATOM 241 C5 DG A 8 -6.774 3.454 -1.522 1.00 0.00 C ATOM 242 C6 DG A 8 -6.763 4.869 -1.467 1.00 0.00 C ATOM 243 O6 DG A 8 -7.016 5.666 -2.367 1.00 0.00 O ATOM 244 N1 DG A 8 -6.403 5.328 -0.213 1.00 0.00 N ATOM 245 C2 DG A 8 -6.093 4.529 0.865 1.00 0.00 C ATOM 246 N2 DG A 8 -5.783 5.160 1.995 1.00 0.00 N ATOM 247 N3 DG A 8 -6.102 3.195 0.820 1.00 0.00 N ATOM 248 C4 DG A 8 -6.450 2.731 -0.399 1.00 0.00 C ATOM 0 H5' DG A 8 -7.890 -3.078 -2.325 1.00 0.00 H new ATOM 0 H5'' DG A 8 -9.158 -3.175 -1.119 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.977 -2.760 -0.445 1.00 0.00 H new ATOM 0 H3' DG A 8 -9.214 -1.535 0.921 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.468 0.564 -0.006 1.00 0.00 H new ATOM 0 H2'' DG A 8 -7.773 0.504 1.601 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.497 0.195 0.677 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.085 0.532 -2.622 1.00 0.00 H new ATOM 0 H1 DG A 8 -6.364 6.338 -0.076 1.00 0.00 H new ATOM 0 H21 DG A 8 -5.544 4.624 2.829 1.00 0.00 H new ATOM 0 H22 DG A 8 -5.784 6.180 2.027 1.00 0.00 H new ATOM 260 P DT A 9 -8.008 -3.679 2.083 1.00 0.00 P ATOM 261 OP1 DT A 9 -8.779 -4.197 0.929 1.00 0.00 O ATOM 262 OP2 DT A 9 -8.583 -3.786 3.445 1.00 0.00 O ATOM 263 O5' DT A 9 -6.576 -4.395 2.097 1.00 0.00 O ATOM 264 C5' DT A 9 -5.793 -4.980 1.039 1.00 0.00 C ATOM 265 C4' DT A 9 -4.464 -5.482 1.822 1.00 0.00 C ATOM 266 O4' DT A 9 -3.775 -4.423 2.560 1.00 0.00 O ATOM 267 C3' DT A 9 -4.547 -6.620 2.899 1.00 0.00 C ATOM 268 O3' DT A 9 -3.457 -7.559 2.820 1.00 0.00 O ATOM 269 C2' DT A 9 -4.600 -5.836 4.210 1.00 0.00 C ATOM 270 C1' DT A 9 -3.609 -4.703 3.989 1.00 0.00 C ATOM 271 N1 DT A 9 -3.914 -3.499 4.806 1.00 0.00 N ATOM 272 C2 DT A 9 -3.328 -3.325 6.055 1.00 0.00 C ATOM 273 O2 DT A 9 -2.547 -4.135 6.552 1.00 0.00 O ATOM 274 N3 DT A 9 -3.676 -2.158 6.721 1.00 0.00 N ATOM 275 C4 DT A 9 -4.540 -1.175 6.253 1.00 0.00 C ATOM 276 O4 DT A 9 -4.776 -0.180 6.935 1.00 0.00 O ATOM 277 C5 DT A 9 -5.093 -1.456 4.943 1.00 0.00 C ATOM 278 C7 DT A 9 -6.055 -0.484 4.249 1.00 0.00 C ATOM 279 C6 DT A 9 -4.761 -2.579 4.298 1.00 0.00 C ATOM 0 H5' DT A 9 -5.556 -4.254 0.261 1.00 0.00 H new ATOM 0 H5'' DT A 9 -6.316 -5.806 0.556 1.00 0.00 H new ATOM 0 H4' DT A 9 -3.961 -5.868 0.935 1.00 0.00 H new ATOM 0 H3' DT A 9 -5.410 -7.273 2.769 1.00 0.00 H new ATOM 0 H2' DT A 9 -5.603 -5.458 4.411 1.00 0.00 H new ATOM 0 H2'' DT A 9 -4.317 -6.457 5.060 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.594 -4.971 4.282 1.00 0.00 H new ATOM 0 H3 DT A 9 -3.259 -2.008 7.640 1.00 0.00 H new ATOM 0 H71 DT A 9 -5.939 -0.566 3.168 1.00 0.00 H new ATOM 0 H72 DT A 9 -7.081 -0.729 4.523 1.00 0.00 H new ATOM 0 H73 DT A 9 -5.830 0.536 4.561 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.191 -2.759 3.324 1.00 0.00 H new ATOM 292 P DG A 10 -3.704 -9.066 2.240 1.00 0.00 P ATOM 293 OP1 DG A 10 -5.161 -9.330 2.243 1.00 0.00 O ATOM 294 OP2 DG A 10 -2.802 -9.995 2.957 1.00 0.00 O ATOM 295 O5' DG A 10 -3.234 -8.991 0.694 1.00 0.00 O ATOM 296 C5' DG A 10 -1.841 -9.053 0.367 1.00 0.00 C ATOM 297 C4' DG A 10 -1.589 -8.945 -1.170 1.00 0.00 C ATOM 298 O4' DG A 10 -2.039 -7.665 -1.632 1.00 0.00 O ATOM 299 C3' DG A 10 -0.159 -9.094 -1.792 1.00 0.00 C ATOM 300 O3' DG A 10 -0.227 -9.865 -3.012 1.00 0.00 O ATOM 301 C2' DG A 10 0.269 -7.698 -2.143 1.00 0.00 C ATOM 302 C1' DG A 10 -1.082 -7.168 -2.578 1.00 0.00 C ATOM 303 N9 DG A 10 -1.108 -5.722 -2.594 1.00 0.00 N ATOM 304 C8 DG A 10 -1.424 -4.921 -3.624 1.00 0.00 C ATOM 305 N7 DG A 10 -1.385 -3.648 -3.385 1.00 0.00 N ATOM 306 C5 DG A 10 -0.998 -3.616 -2.047 1.00 0.00 C ATOM 307 C6 DG A 10 -0.778 -2.518 -1.198 1.00 0.00 C ATOM 308 O6 DG A 10 -0.897 -1.332 -1.457 1.00 0.00 O ATOM 309 N1 DG A 10 -0.401 -2.883 0.066 1.00 0.00 N ATOM 310 C2 DG A 10 -0.249 -4.191 0.491 1.00 0.00 C ATOM 311 N2 DG A 10 0.105 -4.420 1.754 1.00 0.00 N ATOM 312 N3 DG A 10 -0.459 -5.243 -0.307 1.00 0.00 N ATOM 313 C4 DG A 10 -0.826 -4.879 -1.555 1.00 0.00 C ATOM 0 H5' DG A 10 -1.424 -9.990 0.736 1.00 0.00 H new ATOM 0 H5'' DG A 10 -1.314 -8.247 0.877 1.00 0.00 H new ATOM 0 H4' DG A 10 -2.125 -9.837 -1.495 1.00 0.00 H new ATOM 0 H3' DG A 10 0.524 -9.591 -1.103 1.00 0.00 H new ATOM 0 H2' DG A 10 0.686 -7.155 -1.295 1.00 0.00 H new ATOM 0 H2'' DG A 10 1.014 -7.668 -2.938 1.00 0.00 H new ATOM 0 H1' DG A 10 -1.306 -7.497 -3.593 1.00 0.00 H new ATOM 0 H8 DG A 10 -1.694 -5.314 -4.593 1.00 0.00 H new ATOM 0 H1 DG A 10 -0.220 -2.140 0.741 1.00 0.00 H new ATOM 0 H21 DG A 10 0.222 -5.378 2.085 1.00 0.00 H new ATOM 0 H22 DG A 10 0.259 -3.638 2.390 1.00 0.00 H new ATOM 325 P DG A 11 1.072 -10.299 -3.888 1.00 0.00 P ATOM 326 OP1 DG A 11 0.602 -11.239 -4.932 1.00 0.00 O ATOM 327 OP2 DG A 11 2.126 -10.732 -2.945 1.00 0.00 O ATOM 328 O5' DG A 11 1.584 -8.934 -4.621 1.00 0.00 O ATOM 329 C5' DG A 11 1.121 -8.565 -5.933 1.00 0.00 C ATOM 330 C4' DG A 11 1.627 -7.204 -6.467 1.00 0.00 C ATOM 331 O4' DG A 11 1.143 -6.069 -5.748 1.00 0.00 O ATOM 332 C3' DG A 11 3.121 -7.024 -6.721 1.00 0.00 C ATOM 333 O3' DG A 11 3.192 -6.781 -8.126 1.00 0.00 O ATOM 334 C2' DG A 11 3.467 -5.794 -5.897 1.00 0.00 C ATOM 335 C1' DG A 11 2.162 -5.063 -5.776 1.00 0.00 C ATOM 336 N9 DG A 11 2.111 -4.343 -4.523 1.00 0.00 N ATOM 337 C8 DG A 11 2.449 -4.805 -3.310 1.00 0.00 C ATOM 338 N7 DG A 11 2.371 -3.959 -2.335 1.00 0.00 N ATOM 339 C5 DG A 11 1.923 -2.813 -2.989 1.00 0.00 C ATOM 340 C6 DG A 11 1.641 -1.539 -2.469 1.00 0.00 C ATOM 341 O6 DG A 11 1.761 -1.161 -1.307 1.00 0.00 O ATOM 342 N1 DG A 11 1.208 -0.667 -3.453 1.00 0.00 N ATOM 343 C2 DG A 11 1.063 -0.975 -4.786 1.00 0.00 C ATOM 344 N2 DG A 11 0.609 0.001 -5.578 1.00 0.00 N ATOM 345 N3 DG A 11 1.336 -2.182 -5.286 1.00 0.00 N ATOM 346 C4 DG A 11 1.757 -3.043 -4.330 1.00 0.00 C ATOM 0 H5' DG A 11 0.031 -8.547 -5.921 1.00 0.00 H new ATOM 0 H5'' DG A 11 1.420 -9.343 -6.635 1.00 0.00 H new ATOM 0 H4' DG A 11 1.173 -7.252 -7.457 1.00 0.00 H new ATOM 0 H3' DG A 11 3.789 -7.844 -6.458 1.00 0.00 H new ATOM 0 H2' DG A 11 3.864 -6.067 -4.919 1.00 0.00 H new ATOM 0 H2'' DG A 11 4.223 -5.183 -6.389 1.00 0.00 H new ATOM 0 H1' DG A 11 2.037 -4.358 -6.597 1.00 0.00 H new ATOM 0 H8 DG A 11 2.768 -5.825 -3.156 1.00 0.00 H new ATOM 0 H1 DG A 11 0.977 0.284 -3.166 1.00 0.00 H new ATOM 0 H21 DG A 11 0.481 -0.169 -6.576 1.00 0.00 H new ATOM 0 H22 DG A 11 0.390 0.916 -5.185 1.00 0.00 H new ATOM 358 P DT A 12 4.032 -7.704 -9.132 1.00 0.00 P ATOM 359 OP1 DT A 12 3.456 -7.568 -10.489 1.00 0.00 O ATOM 360 OP2 DT A 12 4.209 -9.043 -8.522 1.00 0.00 O ATOM 361 O5' DT A 12 5.415 -6.899 -9.068 1.00 0.00 O ATOM 362 C5' DT A 12 6.690 -7.519 -8.935 1.00 0.00 C ATOM 363 C4' DT A 12 7.644 -6.608 -8.175 1.00 0.00 C ATOM 364 O4' DT A 12 7.720 -5.304 -8.776 1.00 0.00 O ATOM 365 C3' DT A 12 7.196 -6.333 -6.735 1.00 0.00 C ATOM 366 O3' DT A 12 7.490 -7.448 -5.885 1.00 0.00 O ATOM 367 C2' DT A 12 8.132 -5.183 -6.447 1.00 0.00 C ATOM 368 C1' DT A 12 8.164 -4.390 -7.756 1.00 0.00 C ATOM 369 N1 DT A 12 7.520 -3.047 -7.744 1.00 0.00 N ATOM 370 C2 DT A 12 8.291 -2.012 -7.211 1.00 0.00 C ATOM 371 O2 DT A 12 9.424 -2.180 -6.760 1.00 0.00 O ATOM 372 N3 DT A 12 7.722 -0.756 -7.207 1.00 0.00 N ATOM 373 C4 DT A 12 6.468 -0.430 -7.679 1.00 0.00 C ATOM 374 O4 DT A 12 6.075 0.734 -7.617 1.00 0.00 O ATOM 375 C5 DT A 12 5.720 -1.552 -8.218 1.00 0.00 C ATOM 376 C7 DT A 12 4.317 -1.278 -8.773 1.00 0.00 C ATOM 377 C6 DT A 12 6.248 -2.810 -8.238 1.00 0.00 C ATOM 0 H5' DT A 12 7.098 -7.743 -9.921 1.00 0.00 H new ATOM 0 H5'' DT A 12 6.587 -8.469 -8.410 1.00 0.00 H new ATOM 0 H4' DT A 12 8.593 -7.143 -8.199 1.00 0.00 H new ATOM 0 H3' DT A 12 6.132 -6.146 -6.587 1.00 0.00 H new ATOM 0 H2' DT A 12 7.770 -4.572 -5.620 1.00 0.00 H new ATOM 0 H2'' DT A 12 9.125 -5.537 -6.171 1.00 0.00 H new ATOM 0 H1' DT A 12 9.180 -4.055 -7.962 1.00 0.00 H new ATOM 0 H3 DT A 12 8.281 0.003 -6.818 1.00 0.00 H new ATOM 0 H71 DT A 12 4.097 -1.986 -9.572 1.00 0.00 H new ATOM 0 H72 DT A 12 3.582 -1.391 -7.976 1.00 0.00 H new ATOM 0 H73 DT A 12 4.273 -0.262 -9.166 1.00 0.00 H new ATOM 0 H6 DT A 12 5.669 -3.627 -8.642 1.00 0.00 H new ATOM 390 P DT A 13 6.738 -7.724 -4.484 1.00 0.00 P ATOM 391 OP1 DT A 13 7.327 -8.949 -3.897 1.00 0.00 O ATOM 392 OP2 DT A 13 5.279 -7.668 -4.715 1.00 0.00 O ATOM 393 O5' DT A 13 7.144 -6.475 -3.540 1.00 0.00 O ATOM 394 C5' DT A 13 8.376 -6.448 -2.799 1.00 0.00 C ATOM 395 C4' DT A 13 8.226 -5.686 -1.473 1.00 0.00 C ATOM 396 O4' DT A 13 7.954 -4.276 -1.651 1.00 0.00 O ATOM 397 C3' DT A 13 7.067 -6.272 -0.649 1.00 0.00 C ATOM 398 O3' DT A 13 7.295 -6.352 0.770 1.00 0.00 O ATOM 399 C2' DT A 13 5.988 -5.261 -0.942 1.00 0.00 C ATOM 400 C1' DT A 13 6.730 -3.942 -0.970 1.00 0.00 C ATOM 401 N1 DT A 13 5.972 -2.832 -1.607 1.00 0.00 N ATOM 402 C2 DT A 13 5.544 -1.783 -0.796 1.00 0.00 C ATOM 403 O2 DT A 13 5.753 -1.738 0.416 1.00 0.00 O ATOM 404 N3 DT A 13 4.852 -0.769 -1.432 1.00 0.00 N ATOM 405 C4 DT A 13 4.550 -0.704 -2.780 1.00 0.00 C ATOM 406 O4 DT A 13 3.924 0.255 -3.230 1.00 0.00 O ATOM 407 C5 DT A 13 5.032 -1.835 -3.545 1.00 0.00 C ATOM 408 C7 DT A 13 4.771 -1.903 -5.050 1.00 0.00 C ATOM 409 C6 DT A 13 5.709 -2.837 -2.952 1.00 0.00 C ATOM 0 H5' DT A 13 9.153 -5.979 -3.402 1.00 0.00 H new ATOM 0 H5'' DT A 13 8.702 -7.468 -2.597 1.00 0.00 H new ATOM 0 H4' DT A 13 9.183 -5.797 -0.963 1.00 0.00 H new ATOM 0 H3' DT A 13 6.863 -7.309 -0.915 1.00 0.00 H new ATOM 0 H2' DT A 13 5.497 -5.464 -1.893 1.00 0.00 H new ATOM 0 H2'' DT A 13 5.213 -5.268 -0.175 1.00 0.00 H new ATOM 0 H1' DT A 13 6.899 -3.538 0.028 1.00 0.00 H new ATOM 0 H3 DT A 13 4.533 0.006 -0.851 1.00 0.00 H new ATOM 0 H71 DT A 13 3.839 -1.388 -5.281 1.00 0.00 H new ATOM 0 H72 DT A 13 5.592 -1.424 -5.584 1.00 0.00 H new ATOM 0 H73 DT A 13 4.696 -2.945 -5.360 1.00 0.00 H new ATOM 0 H6 DT A 13 6.054 -3.666 -3.552 1.00 0.00 H new ATOM 422 P DG A 14 6.323 -7.260 1.703 1.00 0.00 P ATOM 423 OP1 DG A 14 7.073 -8.481 2.074 1.00 0.00 O ATOM 424 OP2 DG A 14 5.012 -7.389 1.027 1.00 0.00 O ATOM 425 O5' DG A 14 6.076 -6.384 3.038 1.00 0.00 O ATOM 426 C5' DG A 14 6.815 -6.559 4.257 1.00 0.00 C ATOM 427 C4' DG A 14 6.019 -6.088 5.483 1.00 0.00 C ATOM 428 O4' DG A 14 5.682 -4.685 5.387 1.00 0.00 O ATOM 429 C3' DG A 14 4.695 -6.842 5.694 1.00 0.00 C ATOM 430 O3' DG A 14 4.449 -7.004 7.104 1.00 0.00 O ATOM 431 C2' DG A 14 3.738 -5.895 5.006 1.00 0.00 C ATOM 432 C1' DG A 14 4.252 -4.541 5.443 1.00 0.00 C ATOM 433 N9 DG A 14 3.764 -3.406 4.633 1.00 0.00 N ATOM 434 C8 DG A 14 3.558 -2.128 5.044 1.00 0.00 C ATOM 435 N7 DG A 14 3.120 -1.306 4.148 1.00 0.00 N ATOM 436 C5 DG A 14 3.022 -2.104 3.017 1.00 0.00 C ATOM 437 C6 DG A 14 2.598 -1.758 1.712 1.00 0.00 C ATOM 438 O6 DG A 14 2.223 -0.661 1.311 1.00 0.00 O ATOM 439 N1 DG A 14 2.641 -2.844 0.856 1.00 0.00 N ATOM 440 C2 DG A 14 3.046 -4.114 1.214 1.00 0.00 C ATOM 441 N2 DG A 14 3.012 -5.035 0.255 1.00 0.00 N ATOM 442 N3 DG A 14 3.451 -4.445 2.445 1.00 0.00 N ATOM 443 C4 DG A 14 3.413 -3.393 3.295 1.00 0.00 C ATOM 0 H5' DG A 14 7.751 -6.004 4.197 1.00 0.00 H new ATOM 0 H5'' DG A 14 7.075 -7.611 4.376 1.00 0.00 H new ATOM 0 H4' DG A 14 6.684 -6.288 6.323 1.00 0.00 H new ATOM 0 H3' DG A 14 4.637 -7.858 5.303 1.00 0.00 H new ATOM 0 H2' DG A 14 3.763 -6.009 3.922 1.00 0.00 H new ATOM 0 H2'' DG A 14 2.707 -6.059 5.320 1.00 0.00 H new ATOM 0 H1' DG A 14 3.884 -4.284 6.436 1.00 0.00 H new ATOM 0 H8 DG A 14 3.749 -1.817 6.060 1.00 0.00 H new ATOM 0 H1 DG A 14 2.352 -2.695 -0.111 1.00 0.00 H new ATOM 0 H21 DG A 14 3.299 -5.993 0.457 1.00 0.00 H new ATOM 0 H22 DG A 14 2.699 -4.784 -0.683 1.00 0.00 H new ATOM 455 P DG A 15 3.001 -7.264 7.784 1.00 0.00 P ATOM 456 OP1 DG A 15 3.219 -7.943 9.080 1.00 0.00 O ATOM 457 OP2 DG A 15 2.108 -7.877 6.776 1.00 0.00 O ATOM 458 O5' DG A 15 2.469 -5.766 8.080 1.00 0.00 O ATOM 459 C5' DG A 15 3.090 -4.964 9.094 1.00 0.00 C ATOM 460 C4' DG A 15 2.336 -3.664 9.404 1.00 0.00 C ATOM 461 O4' DG A 15 2.238 -2.837 8.221 1.00 0.00 O ATOM 462 C3' DG A 15 0.897 -3.872 9.906 1.00 0.00 C ATOM 463 O3' DG A 15 0.497 -2.745 10.698 1.00 0.00 O ATOM 464 C2' DG A 15 0.154 -3.814 8.594 1.00 0.00 C ATOM 465 C1' DG A 15 0.849 -2.660 7.892 1.00 0.00 C ATOM 466 N9 DG A 15 0.592 -2.584 6.441 1.00 0.00 N ATOM 467 C8 DG A 15 0.664 -3.543 5.478 1.00 0.00 C ATOM 468 N7 DG A 15 0.375 -3.159 4.272 1.00 0.00 N ATOM 469 C5 DG A 15 0.078 -1.811 4.444 1.00 0.00 C ATOM 470 C6 DG A 15 -0.314 -0.839 3.486 1.00 0.00 C ATOM 471 O6 DG A 15 -0.471 -0.986 2.276 1.00 0.00 O ATOM 472 N1 DG A 15 -0.516 0.400 4.076 1.00 0.00 N ATOM 473 C2 DG A 15 -0.362 0.674 5.419 1.00 0.00 C ATOM 474 N2 DG A 15 -0.597 1.924 5.809 1.00 0.00 N ATOM 475 N3 DG A 15 0.007 -0.240 6.319 1.00 0.00 N ATOM 476 C4 DG A 15 0.208 -1.454 5.763 1.00 0.00 C ATOM 0 H5' DG A 15 4.104 -4.718 8.779 1.00 0.00 H new ATOM 0 H5'' DG A 15 3.173 -5.552 10.008 1.00 0.00 H new ATOM 0 H4' DG A 15 2.920 -3.195 10.196 1.00 0.00 H new ATOM 0 H3' DG A 15 0.744 -4.768 10.507 1.00 0.00 H new ATOM 0 H2' DG A 15 0.241 -4.745 8.034 1.00 0.00 H new ATOM 0 H2'' DG A 15 -0.910 -3.625 8.735 1.00 0.00 H new ATOM 0 HO3' DG A 15 -0.420 -2.878 11.016 1.00 0.00 H new ATOM 0 H1' DG A 15 0.463 -1.699 8.230 1.00 0.00 H new ATOM 0 H8 DG A 15 0.944 -4.561 5.703 1.00 0.00 H new ATOM 0 H1 DG A 15 -0.801 1.169 3.469 1.00 0.00 H new ATOM 0 H21 DG A 15 -0.497 2.179 6.792 1.00 0.00 H new ATOM 0 H22 DG A 15 -0.877 2.627 5.125 1.00 0.00 H new TER 489 DG A 15