USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 247 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.761 (180deg=-0.761) USER MOD Single : A 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -9.198 12.267 -1.055 1.00 1.63 O ATOM 2 C5' DA A 1 -8.291 12.696 -2.072 1.00 1.60 C ATOM 3 C4' DA A 1 -7.437 11.537 -2.582 1.00 1.43 C ATOM 4 O4' DA A 1 -6.635 11.023 -1.512 1.00 1.40 O ATOM 5 C3' DA A 1 -8.248 10.360 -3.146 1.00 1.35 C ATOM 6 O3' DA A 1 -7.774 10.048 -4.464 1.00 1.40 O ATOM 7 C2' DA A 1 -7.948 9.206 -2.191 1.00 1.30 C ATOM 8 C1' DA A 1 -6.584 9.609 -1.654 1.00 1.31 C ATOM 9 N9 DA A 1 -6.244 9.032 -0.337 1.00 1.29 N ATOM 10 C8 DA A 1 -7.039 8.876 0.770 1.00 1.59 C ATOM 11 N7 DA A 1 -6.429 8.331 1.787 1.00 1.49 N ATOM 12 C5 DA A 1 -5.137 8.108 1.320 1.00 1.11 C ATOM 13 C6 DA A 1 -3.994 7.553 1.918 1.00 0.91 C ATOM 14 N6 DA A 1 -3.969 7.103 3.170 1.00 0.98 N ATOM 15 N1 DA A 1 -2.880 7.482 1.173 1.00 0.80 N ATOM 16 C2 DA A 1 -2.908 7.933 -0.076 1.00 0.81 C ATOM 17 N3 DA A 1 -3.913 8.474 -0.748 1.00 0.84 N ATOM 18 C4 DA A 1 -5.016 8.531 0.026 1.00 1.01 C ATOM 0 H5' DA A 1 -7.645 13.480 -1.678 1.00 1.60 H new ATOM 0 H5'' DA A 1 -8.850 13.130 -2.901 1.00 1.60 H new ATOM 0 H4' DA A 1 -6.838 11.953 -3.393 1.00 1.43 H new ATOM 0 H3' DA A 1 -9.315 10.569 -3.221 1.00 1.35 H new ATOM 0 H2' DA A 1 -8.693 9.123 -1.400 1.00 1.30 H new ATOM 0 H2'' DA A 1 -7.920 8.245 -2.704 1.00 1.30 H new ATOM 0 HO5' DA A 1 -9.729 13.031 -0.747 1.00 1.63 H new ATOM 0 H1' DA A 1 -5.824 9.243 -2.344 1.00 1.31 H new ATOM 0 H8 DA A 1 -8.076 9.177 0.797 1.00 1.59 H new ATOM 0 H61 DA A 1 -3.110 6.709 3.553 1.00 0.98 H new ATOM 0 H62 DA A 1 -4.809 7.152 3.746 1.00 0.98 H new ATOM 0 H2 DA A 1 -1.980 7.846 -0.621 1.00 0.81 H new ATOM 31 P DG A 2 -8.430 8.848 -5.322 1.00 1.49 P ATOM 32 OP1 DG A 2 -8.132 9.083 -6.753 1.00 1.50 O ATOM 33 OP2 DG A 2 -9.833 8.671 -4.880 1.00 1.85 O ATOM 34 O5' DG A 2 -7.576 7.568 -4.832 1.00 1.73 O ATOM 35 C5' DG A 2 -6.438 7.103 -5.577 1.00 1.32 C ATOM 36 C4' DG A 2 -5.487 6.280 -4.702 1.00 1.11 C ATOM 37 O4' DG A 2 -6.254 5.434 -3.835 1.00 1.10 O ATOM 38 C3' DG A 2 -4.522 5.379 -5.492 1.00 0.93 C ATOM 39 O3' DG A 2 -3.189 5.924 -5.442 1.00 1.03 O ATOM 40 C2' DG A 2 -4.561 4.051 -4.744 1.00 0.90 C ATOM 41 C1' DG A 2 -5.953 4.072 -4.126 1.00 0.95 C ATOM 42 N9 DG A 2 -7.025 3.551 -5.004 1.00 0.93 N ATOM 43 C8 DG A 2 -7.208 3.748 -6.351 1.00 1.07 C ATOM 44 N7 DG A 2 -8.265 3.161 -6.835 1.00 1.13 N ATOM 45 C5 DG A 2 -8.830 2.525 -5.733 1.00 0.99 C ATOM 46 C6 DG A 2 -10.003 1.723 -5.644 1.00 1.02 C ATOM 47 O6 DG A 2 -10.794 1.418 -6.533 1.00 1.18 O ATOM 48 N1 DG A 2 -10.212 1.274 -4.351 1.00 0.92 N ATOM 49 C2 DG A 2 -9.402 1.556 -3.276 1.00 0.87 C ATOM 50 N2 DG A 2 -9.765 1.028 -2.113 1.00 0.92 N ATOM 51 N3 DG A 2 -8.302 2.309 -3.353 1.00 0.87 N ATOM 52 C4 DG A 2 -8.077 2.758 -4.609 1.00 0.89 C ATOM 0 H5' DG A 2 -5.903 7.956 -5.994 1.00 1.32 H new ATOM 0 H5'' DG A 2 -6.776 6.497 -6.417 1.00 1.32 H new ATOM 0 H4' DG A 2 -4.886 7.007 -4.156 1.00 1.11 H new ATOM 0 H3' DG A 2 -4.797 5.285 -6.542 1.00 0.93 H new ATOM 0 H2' DG A 2 -4.426 3.202 -5.414 1.00 0.90 H new ATOM 0 H2'' DG A 2 -3.780 3.987 -3.986 1.00 0.90 H new ATOM 0 H1' DG A 2 -5.929 3.422 -3.251 1.00 0.95 H new ATOM 0 H8 DG A 2 -6.535 4.338 -6.955 1.00 1.07 H new ATOM 0 H1 DG A 2 -11.030 0.689 -4.183 1.00 0.92 H new ATOM 0 H21 DG A 2 -9.205 1.200 -1.278 1.00 0.92 H new ATOM 0 H22 DG A 2 -10.604 0.450 -2.055 1.00 0.92 H new ATOM 64 P DG A 3 -2.237 5.920 -6.753 1.00 0.78 P ATOM 65 OP1 DG A 3 -3.102 6.020 -7.950 1.00 0.76 O ATOM 66 OP2 DG A 3 -1.281 4.798 -6.641 1.00 0.96 O ATOM 67 O5' DG A 3 -1.414 7.302 -6.607 1.00 0.76 O ATOM 68 C5' DG A 3 0.015 7.320 -6.751 1.00 0.70 C ATOM 69 C4' DG A 3 0.658 8.477 -5.981 1.00 0.59 C ATOM 70 O4' DG A 3 0.152 8.492 -4.637 1.00 0.56 O ATOM 71 C3' DG A 3 2.183 8.373 -5.879 1.00 0.54 C ATOM 72 O3' DG A 3 2.776 9.685 -5.861 1.00 0.56 O ATOM 73 C2' DG A 3 2.384 7.699 -4.538 1.00 0.46 C ATOM 74 C1' DG A 3 1.244 8.304 -3.731 1.00 0.45 C ATOM 75 N9 DG A 3 0.781 7.445 -2.624 1.00 0.38 N ATOM 76 C8 DG A 3 0.803 7.698 -1.278 1.00 0.36 C ATOM 77 N7 DG A 3 0.366 6.712 -0.546 1.00 0.36 N ATOM 78 C5 DG A 3 0.029 5.731 -1.471 1.00 0.35 C ATOM 79 C6 DG A 3 -0.499 4.429 -1.266 1.00 0.37 C ATOM 80 O6 DG A 3 -0.779 3.878 -0.206 1.00 0.41 O ATOM 81 N1 DG A 3 -0.692 3.766 -2.466 1.00 0.41 N ATOM 82 C2 DG A 3 -0.421 4.284 -3.705 1.00 0.46 C ATOM 83 N2 DG A 3 -0.684 3.493 -4.735 1.00 0.53 N ATOM 84 N3 DG A 3 0.077 5.505 -3.908 1.00 0.45 N ATOM 85 C4 DG A 3 0.277 6.171 -2.747 1.00 0.38 C ATOM 0 H5' DG A 3 0.271 7.402 -7.807 1.00 0.70 H new ATOM 0 H5'' DG A 3 0.427 6.375 -6.395 1.00 0.70 H new ATOM 0 H4' DG A 3 0.410 9.381 -6.537 1.00 0.59 H new ATOM 0 H3' DG A 3 2.635 7.837 -6.713 1.00 0.54 H new ATOM 0 H2' DG A 3 2.309 6.614 -4.607 1.00 0.46 H new ATOM 0 H2'' DG A 3 3.359 7.924 -4.106 1.00 0.46 H new ATOM 0 H1' DG A 3 1.602 9.230 -3.280 1.00 0.45 H new ATOM 0 H8 DG A 3 1.151 8.631 -0.861 1.00 0.36 H new ATOM 0 H1 DG A 3 -1.065 2.818 -2.424 1.00 0.41 H new ATOM 0 H21 DG A 3 -0.505 3.817 -5.686 1.00 0.53 H new ATOM 0 H22 DG A 3 -1.065 2.560 -4.577 1.00 0.53 H new ATOM 97 P DG A 4 4.383 9.870 -5.900 1.00 0.55 P ATOM 98 OP1 DG A 4 4.685 11.310 -6.058 1.00 0.64 O ATOM 99 OP2 DG A 4 4.942 8.891 -6.860 1.00 0.65 O ATOM 100 O5' DG A 4 4.837 9.425 -4.416 1.00 0.48 O ATOM 101 C5' DG A 4 4.526 10.240 -3.278 1.00 0.49 C ATOM 102 C4' DG A 4 4.929 9.566 -1.964 1.00 0.45 C ATOM 103 O4' DG A 4 4.108 8.414 -1.731 1.00 0.43 O ATOM 104 C3' DG A 4 6.388 9.093 -1.924 1.00 0.48 C ATOM 105 O3' DG A 4 6.964 9.447 -0.655 1.00 0.62 O ATOM 106 C2' DG A 4 6.275 7.580 -2.036 1.00 0.45 C ATOM 107 C1' DG A 4 4.962 7.351 -1.318 1.00 0.42 C ATOM 108 N9 DG A 4 4.295 6.075 -1.636 1.00 0.38 N ATOM 109 C8 DG A 4 4.158 5.451 -2.847 1.00 0.40 C ATOM 110 N7 DG A 4 3.473 4.335 -2.796 1.00 0.40 N ATOM 111 C5 DG A 4 3.141 4.217 -1.444 1.00 0.37 C ATOM 112 C6 DG A 4 2.404 3.208 -0.763 1.00 0.39 C ATOM 113 O6 DG A 4 1.880 2.202 -1.226 1.00 0.45 O ATOM 114 N1 DG A 4 2.308 3.474 0.594 1.00 0.40 N ATOM 115 C2 DG A 4 2.849 4.572 1.224 1.00 0.40 C ATOM 116 N2 DG A 4 2.658 4.662 2.534 1.00 0.45 N ATOM 117 N3 DG A 4 3.537 5.520 0.592 1.00 0.38 N ATOM 118 C4 DG A 4 3.644 5.278 -0.734 1.00 0.36 C ATOM 0 H5' DG A 4 3.457 10.451 -3.264 1.00 0.49 H new ATOM 0 H5'' DG A 4 5.039 11.198 -3.367 1.00 0.49 H new ATOM 0 H4' DG A 4 4.798 10.332 -1.200 1.00 0.45 H new ATOM 0 H3' DG A 4 7.010 9.531 -2.704 1.00 0.48 H new ATOM 0 H2' DG A 4 6.246 7.241 -3.072 1.00 0.45 H new ATOM 0 H2'' DG A 4 7.107 7.065 -1.555 1.00 0.45 H new ATOM 0 H1' DG A 4 5.164 7.316 -0.247 1.00 0.42 H new ATOM 0 H8 DG A 4 4.577 5.843 -3.762 1.00 0.40 H new ATOM 0 H1 DG A 4 1.797 2.805 1.170 1.00 0.40 H new ATOM 0 H21 DG A 4 3.037 5.455 3.051 1.00 0.45 H new ATOM 0 H22 DG A 4 2.132 3.938 3.024 1.00 0.45 H new ATOM 130 P DC A 5 8.547 9.706 -0.493 1.00 0.58 P ATOM 131 OP1 DC A 5 8.761 11.171 -0.407 1.00 0.91 O ATOM 132 OP2 DC A 5 9.258 8.920 -1.526 1.00 0.88 O ATOM 133 O5' DC A 5 8.866 9.056 0.954 1.00 0.55 O ATOM 134 C5' DC A 5 8.532 9.751 2.167 1.00 0.55 C ATOM 135 C4' DC A 5 8.457 8.804 3.372 1.00 0.49 C ATOM 136 O4' DC A 5 7.470 7.791 3.123 1.00 0.52 O ATOM 137 C3' DC A 5 9.769 8.077 3.695 1.00 0.45 C ATOM 138 O3' DC A 5 9.894 7.918 5.123 1.00 0.47 O ATOM 139 C2' DC A 5 9.580 6.722 3.031 1.00 0.40 C ATOM 140 C1' DC A 5 8.087 6.508 3.248 1.00 0.41 C ATOM 141 N1 DC A 5 7.449 5.599 2.270 1.00 0.40 N ATOM 142 C2 DC A 5 6.748 4.507 2.767 1.00 0.48 C ATOM 143 O2 DC A 5 6.648 4.337 3.978 1.00 0.60 O ATOM 144 N3 DC A 5 6.178 3.646 1.880 1.00 0.48 N ATOM 145 C4 DC A 5 6.290 3.843 0.562 1.00 0.44 C ATOM 146 N4 DC A 5 5.726 2.975 -0.275 1.00 0.48 N ATOM 147 C5 DC A 5 7.004 4.970 0.045 1.00 0.45 C ATOM 148 C6 DC A 5 7.565 5.817 0.928 1.00 0.41 C ATOM 0 H5' DC A 5 7.574 10.256 2.043 1.00 0.55 H new ATOM 0 H5'' DC A 5 9.277 10.523 2.359 1.00 0.55 H new ATOM 0 H4' DC A 5 8.211 9.442 4.221 1.00 0.49 H new ATOM 0 H3' DC A 5 10.660 8.603 3.353 1.00 0.45 H new ATOM 0 H2' DC A 5 9.847 6.738 1.974 1.00 0.40 H new ATOM 0 H2'' DC A 5 10.182 5.944 3.500 1.00 0.40 H new ATOM 0 H1' DC A 5 7.959 6.043 4.225 1.00 0.41 H new ATOM 0 H41 DC A 5 5.804 3.114 -1.283 1.00 0.48 H new ATOM 0 H42 DC A 5 5.216 2.171 0.091 1.00 0.48 H new ATOM 0 H5 DC A 5 7.090 5.136 -1.019 1.00 0.45 H new ATOM 0 H6 DC A 5 8.112 6.677 0.571 1.00 0.41 H new ATOM 160 P DT A 6 11.315 7.576 5.824 1.00 0.67 P ATOM 161 OP1 DT A 6 11.201 6.249 6.472 1.00 1.15 O ATOM 162 OP2 DT A 6 11.730 8.751 6.622 1.00 1.09 O ATOM 163 O5' DT A 6 12.317 7.440 4.568 1.00 0.69 O ATOM 164 C5' DT A 6 13.482 6.609 4.648 1.00 0.68 C ATOM 165 C4' DT A 6 13.940 6.156 3.264 1.00 0.60 C ATOM 166 O4' DT A 6 14.985 5.191 3.403 1.00 0.85 O ATOM 167 C3' DT A 6 12.833 5.512 2.436 1.00 0.53 C ATOM 168 O3' DT A 6 12.268 6.486 1.535 1.00 0.69 O ATOM 169 C2' DT A 6 13.536 4.408 1.656 1.00 0.84 C ATOM 170 C1' DT A 6 14.755 4.087 2.517 1.00 0.94 C ATOM 171 N1 DT A 6 14.602 2.874 3.348 1.00 1.10 N ATOM 172 C2 DT A 6 15.655 1.979 3.379 1.00 1.34 C ATOM 173 O2 DT A 6 16.691 2.162 2.745 1.00 1.44 O ATOM 174 N3 DT A 6 15.473 0.858 4.162 1.00 1.57 N ATOM 175 C4 DT A 6 14.348 0.556 4.905 1.00 1.65 C ATOM 176 O4 DT A 6 14.296 -0.477 5.566 1.00 1.93 O ATOM 177 C5 DT A 6 13.299 1.547 4.813 1.00 1.43 C ATOM 178 C7 DT A 6 11.994 1.341 5.582 1.00 1.63 C ATOM 179 C6 DT A 6 13.453 2.651 4.054 1.00 1.14 C ATOM 0 H5' DT A 6 13.267 5.737 5.265 1.00 0.68 H new ATOM 0 H5'' DT A 6 14.287 7.156 5.139 1.00 0.68 H new ATOM 0 H4' DT A 6 14.271 7.056 2.746 1.00 0.60 H new ATOM 0 H3' DT A 6 12.015 5.129 3.046 1.00 0.53 H new ATOM 0 H2' DT A 6 12.895 3.536 1.527 1.00 0.84 H new ATOM 0 H2'' DT A 6 13.825 4.742 0.659 1.00 0.84 H new ATOM 0 H1' DT A 6 15.582 3.909 1.830 1.00 0.94 H new ATOM 0 H3 DT A 6 16.242 0.189 4.196 1.00 1.57 H new ATOM 0 H71 DT A 6 11.572 2.310 5.849 1.00 1.63 H new ATOM 0 H72 DT A 6 11.286 0.796 4.958 1.00 1.63 H new ATOM 0 H73 DT A 6 12.192 0.770 6.489 1.00 1.63 H new ATOM 0 H6 DT A 6 12.652 3.374 4.003 1.00 1.14 H new ATOM 192 P DA A 7 13.125 7.153 0.332 1.00 1.07 P ATOM 193 OP1 DA A 7 14.527 7.318 0.782 1.00 1.29 O ATOM 194 OP2 DA A 7 12.374 8.325 -0.176 1.00 1.34 O ATOM 195 O5' DA A 7 13.092 6.009 -0.806 1.00 1.06 O ATOM 196 C5' DA A 7 11.941 5.842 -1.652 1.00 1.01 C ATOM 197 C4' DA A 7 11.605 4.365 -1.865 1.00 0.86 C ATOM 198 O4' DA A 7 11.435 3.733 -0.607 1.00 0.82 O ATOM 199 C3' DA A 7 10.310 4.123 -2.645 1.00 0.75 C ATOM 200 O3' DA A 7 10.624 3.768 -4.003 1.00 0.78 O ATOM 201 C2' DA A 7 9.640 2.935 -1.941 1.00 0.74 C ATOM 202 C1' DA A 7 10.601 2.598 -0.800 1.00 0.73 C ATOM 203 N9 DA A 7 9.937 2.314 0.486 1.00 0.56 N ATOM 204 C8 DA A 7 9.806 3.136 1.573 1.00 0.48 C ATOM 205 N7 DA A 7 9.187 2.587 2.582 1.00 0.60 N ATOM 206 C5 DA A 7 8.886 1.305 2.128 1.00 0.72 C ATOM 207 C6 DA A 7 8.227 0.215 2.724 1.00 0.99 C ATOM 208 N6 DA A 7 7.739 0.245 3.962 1.00 1.15 N ATOM 209 N1 DA A 7 8.099 -0.902 1.991 1.00 1.18 N ATOM 210 C2 DA A 7 8.591 -0.928 0.757 1.00 1.17 C ATOM 211 N3 DA A 7 9.225 0.024 0.089 1.00 0.99 N ATOM 212 C4 DA A 7 9.339 1.132 0.850 1.00 0.72 C ATOM 0 H5' DA A 7 12.126 6.316 -2.616 1.00 1.01 H new ATOM 0 H5'' DA A 7 11.085 6.349 -1.207 1.00 1.01 H new ATOM 0 H4' DA A 7 12.437 3.961 -2.442 1.00 0.86 H new ATOM 0 H3' DA A 7 9.669 5.004 -2.669 1.00 0.75 H new ATOM 0 H2' DA A 7 8.651 3.198 -1.566 1.00 0.74 H new ATOM 0 H2'' DA A 7 9.510 2.090 -2.618 1.00 0.74 H new ATOM 0 H1' DA A 7 11.139 1.694 -1.086 1.00 0.73 H new ATOM 0 H8 DA A 7 10.181 4.148 1.594 1.00 0.48 H new ATOM 0 H61 DA A 7 7.269 -0.575 4.345 1.00 1.15 H new ATOM 0 H62 DA A 7 7.835 1.088 4.528 1.00 1.15 H new ATOM 0 H2 DA A 7 8.455 -1.857 0.223 1.00 1.17 H new ATOM 224 P DG A 8 9.560 4.017 -5.196 1.00 0.79 P ATOM 225 OP1 DG A 8 10.214 3.683 -6.483 1.00 1.19 O ATOM 226 OP2 DG A 8 8.953 5.353 -5.002 1.00 1.18 O ATOM 227 O5' DG A 8 8.427 2.906 -4.910 1.00 0.63 O ATOM 228 C5' DG A 8 7.079 3.118 -5.353 1.00 0.52 C ATOM 229 C4' DG A 8 6.710 2.232 -6.545 1.00 0.37 C ATOM 230 O4' DG A 8 6.699 0.858 -6.145 1.00 0.32 O ATOM 231 C3' DG A 8 5.330 2.540 -7.103 1.00 0.46 C ATOM 232 O3' DG A 8 5.282 2.285 -8.512 1.00 0.53 O ATOM 233 C2' DG A 8 4.424 1.572 -6.367 1.00 0.71 C ATOM 234 C1' DG A 8 5.341 0.390 -6.080 1.00 0.41 C ATOM 235 N9 DG A 8 5.124 -0.178 -4.740 1.00 0.34 N ATOM 236 C8 DG A 8 5.552 0.315 -3.545 1.00 0.42 C ATOM 237 N7 DG A 8 5.144 -0.360 -2.508 1.00 0.50 N ATOM 238 C5 DG A 8 4.385 -1.385 -3.061 1.00 0.42 C ATOM 239 C6 DG A 8 3.678 -2.437 -2.423 1.00 0.51 C ATOM 240 O6 DG A 8 3.584 -2.674 -1.222 1.00 0.67 O ATOM 241 N1 DG A 8 3.040 -3.250 -3.345 1.00 0.43 N ATOM 242 C2 DG A 8 3.079 -3.080 -4.710 1.00 0.34 C ATOM 243 N2 DG A 8 2.408 -3.973 -5.433 1.00 0.40 N ATOM 244 N3 DG A 8 3.740 -2.092 -5.315 1.00 0.32 N ATOM 245 C4 DG A 8 4.369 -1.284 -4.430 1.00 0.31 C ATOM 0 H5' DG A 8 6.950 4.165 -5.628 1.00 0.52 H new ATOM 0 H5'' DG A 8 6.393 2.918 -4.530 1.00 0.52 H new ATOM 0 H4' DG A 8 7.458 2.430 -7.312 1.00 0.37 H new ATOM 0 H3' DG A 8 5.046 3.584 -6.969 1.00 0.46 H new ATOM 0 H2' DG A 8 4.029 2.008 -5.449 1.00 0.71 H new ATOM 0 H2'' DG A 8 3.568 1.280 -6.975 1.00 0.71 H new ATOM 0 H1' DG A 8 5.129 -0.387 -6.815 1.00 0.41 H new ATOM 0 H8 DG A 8 6.177 1.192 -3.464 1.00 0.42 H new ATOM 0 H1 DG A 8 2.499 -4.036 -2.984 1.00 0.43 H new ATOM 0 H21 DG A 8 2.398 -3.902 -6.450 1.00 0.40 H new ATOM 0 H22 DG A 8 1.904 -4.729 -4.970 1.00 0.40 H new ATOM 257 P DG A 9 4.045 2.842 -9.389 1.00 0.71 P ATOM 258 OP1 DG A 9 4.463 2.926 -10.806 1.00 0.97 O ATOM 259 OP2 DG A 9 3.498 4.038 -8.712 1.00 0.81 O ATOM 260 O5' DG A 9 2.960 1.659 -9.262 1.00 0.59 O ATOM 261 C5' DG A 9 3.067 0.486 -10.078 1.00 0.65 C ATOM 262 C4' DG A 9 1.848 -0.423 -9.929 1.00 0.54 C ATOM 263 O4' DG A 9 1.846 -1.030 -8.633 1.00 0.52 O ATOM 264 C3' DG A 9 0.500 0.300 -10.086 1.00 0.51 C ATOM 265 O3' DG A 9 -0.263 -0.329 -11.128 1.00 0.53 O ATOM 266 C2' DG A 9 -0.197 0.097 -8.742 1.00 0.44 C ATOM 267 C1' DG A 9 0.488 -1.158 -8.242 1.00 0.42 C ATOM 268 N9 DG A 9 0.432 -1.355 -6.786 1.00 0.39 N ATOM 269 C8 DG A 9 -0.008 -2.455 -6.110 1.00 0.40 C ATOM 270 N7 DG A 9 0.053 -2.343 -4.815 1.00 0.39 N ATOM 271 C5 DG A 9 0.574 -1.069 -4.616 1.00 0.38 C ATOM 272 C6 DG A 9 0.867 -0.386 -3.409 1.00 0.40 C ATOM 273 O6 DG A 9 0.714 -0.776 -2.254 1.00 0.40 O ATOM 274 N1 DG A 9 1.378 0.878 -3.652 1.00 0.46 N ATOM 275 C2 DG A 9 1.582 1.425 -4.894 1.00 0.50 C ATOM 276 N2 DG A 9 2.075 2.660 -4.920 1.00 0.57 N ATOM 277 N3 DG A 9 1.309 0.786 -6.034 1.00 0.47 N ATOM 278 C4 DG A 9 0.810 -0.454 -5.819 1.00 0.40 C ATOM 0 H5' DG A 9 3.967 -0.065 -9.805 1.00 0.65 H new ATOM 0 H5'' DG A 9 3.177 0.779 -11.122 1.00 0.65 H new ATOM 0 H4' DG A 9 1.939 -1.153 -10.733 1.00 0.54 H new ATOM 0 H3' DG A 9 0.612 1.353 -10.345 1.00 0.51 H new ATOM 0 H2' DG A 9 -0.049 0.942 -8.070 1.00 0.44 H new ATOM 0 H2'' DG A 9 -1.273 -0.038 -8.853 1.00 0.44 H new ATOM 0 H1' DG A 9 -0.025 -2.021 -8.665 1.00 0.42 H new ATOM 0 H8 DG A 9 -0.375 -3.341 -6.606 1.00 0.40 H new ATOM 0 H1 DG A 9 1.622 1.448 -2.843 1.00 0.46 H new ATOM 0 H21 DG A 9 2.249 3.121 -5.813 1.00 0.57 H new ATOM 0 H22 DG A 9 2.279 3.146 -4.047 1.00 0.57 H new ATOM 290 P DG A 10 -1.781 0.127 -11.429 1.00 0.64 P ATOM 291 OP1 DG A 10 -2.194 -0.460 -12.723 1.00 0.79 O ATOM 292 OP2 DG A 10 -1.872 1.589 -11.218 1.00 0.78 O ATOM 293 O5' DG A 10 -2.611 -0.606 -10.253 1.00 0.62 O ATOM 294 C5' DG A 10 -2.695 -2.037 -10.193 1.00 0.63 C ATOM 295 C4' DG A 10 -3.516 -2.519 -8.992 1.00 0.56 C ATOM 296 O4' DG A 10 -2.887 -2.116 -7.765 1.00 0.50 O ATOM 297 C3' DG A 10 -4.953 -1.978 -8.953 1.00 0.56 C ATOM 298 O3' DG A 10 -5.851 -3.057 -8.640 1.00 0.69 O ATOM 299 C2' DG A 10 -4.926 -0.977 -7.804 1.00 0.52 C ATOM 300 C1' DG A 10 -3.907 -1.628 -6.895 1.00 0.46 C ATOM 301 N9 DG A 10 -3.292 -0.707 -5.924 1.00 0.40 N ATOM 302 C8 DG A 10 -2.694 0.497 -6.158 1.00 0.42 C ATOM 303 N7 DG A 10 -2.240 1.082 -5.080 1.00 0.41 N ATOM 304 C5 DG A 10 -2.572 0.195 -4.057 1.00 0.35 C ATOM 305 C6 DG A 10 -2.343 0.287 -2.654 1.00 0.34 C ATOM 306 O6 DG A 10 -1.791 1.189 -2.028 1.00 0.37 O ATOM 307 N1 DG A 10 -2.844 -0.819 -1.985 1.00 0.34 N ATOM 308 C2 DG A 10 -3.484 -1.882 -2.584 1.00 0.39 C ATOM 309 N2 DG A 10 -3.904 -2.853 -1.782 1.00 0.47 N ATOM 310 N3 DG A 10 -3.695 -1.971 -3.896 1.00 0.40 N ATOM 311 C4 DG A 10 -3.217 -0.901 -4.567 1.00 0.37 C ATOM 0 H5' DG A 10 -1.690 -2.456 -10.136 1.00 0.63 H new ATOM 0 H5'' DG A 10 -3.145 -2.412 -11.112 1.00 0.63 H new ATOM 0 H4' DG A 10 -3.559 -3.603 -9.102 1.00 0.56 H new ATOM 0 H3' DG A 10 -5.280 -1.535 -9.894 1.00 0.56 H new ATOM 0 H2' DG A 10 -4.618 0.017 -8.127 1.00 0.52 H new ATOM 0 H2'' DG A 10 -5.899 -0.869 -7.325 1.00 0.52 H new ATOM 0 H1' DG A 10 -4.401 -2.397 -6.301 1.00 0.46 H new ATOM 0 H8 DG A 10 -2.604 0.928 -7.144 1.00 0.42 H new ATOM 0 H1 DG A 10 -2.730 -0.848 -0.972 1.00 0.34 H new ATOM 0 H21 DG A 10 -4.384 -3.664 -2.171 1.00 0.47 H new ATOM 0 H22 DG A 10 -3.746 -2.788 -0.776 1.00 0.47 H new ATOM 323 P DC A 11 -7.401 -3.021 -9.089 1.00 0.91 P ATOM 324 OP1 DC A 11 -7.570 -3.948 -10.228 1.00 1.28 O ATOM 325 OP2 DC A 11 -7.814 -1.605 -9.221 1.00 1.06 O ATOM 326 O5' DC A 11 -8.153 -3.652 -7.802 1.00 0.94 O ATOM 327 C5' DC A 11 -7.961 -3.077 -6.504 1.00 1.37 C ATOM 328 C4' DC A 11 -8.533 -3.950 -5.382 1.00 0.98 C ATOM 329 O4' DC A 11 -7.803 -3.717 -4.178 1.00 0.90 O ATOM 330 C3' DC A 11 -9.989 -3.667 -5.039 1.00 0.77 C ATOM 331 O3' DC A 11 -10.561 -4.818 -4.392 1.00 0.67 O ATOM 332 C2' DC A 11 -9.878 -2.513 -4.050 1.00 0.55 C ATOM 333 C1' DC A 11 -8.556 -2.826 -3.341 1.00 0.53 C ATOM 334 N1 DC A 11 -7.700 -1.647 -3.085 1.00 0.47 N ATOM 335 C2 DC A 11 -7.406 -1.340 -1.765 1.00 0.52 C ATOM 336 O2 DC A 11 -7.914 -1.987 -0.851 1.00 0.63 O ATOM 337 N3 DC A 11 -6.560 -0.304 -1.517 1.00 0.51 N ATOM 338 C4 DC A 11 -6.029 0.402 -2.523 1.00 0.43 C ATOM 339 N4 DC A 11 -5.199 1.403 -2.251 1.00 0.44 N ATOM 340 C5 DC A 11 -6.336 0.095 -3.881 1.00 0.41 C ATOM 341 C6 DC A 11 -7.170 -0.927 -4.116 1.00 0.43 C ATOM 0 H5' DC A 11 -8.434 -2.095 -6.472 1.00 1.37 H new ATOM 0 H5'' DC A 11 -6.896 -2.924 -6.333 1.00 1.37 H new ATOM 0 H4' DC A 11 -8.453 -4.971 -5.756 1.00 0.98 H new ATOM 0 H3' DC A 11 -10.614 -3.441 -5.903 1.00 0.77 H new ATOM 0 H2' DC A 11 -9.852 -1.546 -4.553 1.00 0.55 H new ATOM 0 H2'' DC A 11 -10.718 -2.489 -3.355 1.00 0.55 H new ATOM 0 H1' DC A 11 -8.823 -3.249 -2.372 1.00 0.53 H new ATOM 0 H41 DC A 11 -4.789 1.947 -3.011 1.00 0.44 H new ATOM 0 H42 DC A 11 -4.971 1.628 -1.282 1.00 0.44 H new ATOM 0 H5 DC A 11 -5.911 0.667 -4.693 1.00 0.41 H new ATOM 0 H6 DC A 11 -7.426 -1.184 -5.133 1.00 0.43 H new ATOM 353 P DT A 12 -12.151 -4.928 -4.123 1.00 0.66 P ATOM 354 OP1 DT A 12 -12.495 -6.357 -3.956 1.00 0.86 O ATOM 355 OP2 DT A 12 -12.846 -4.120 -5.150 1.00 1.23 O ATOM 356 O5' DT A 12 -12.326 -4.187 -2.695 1.00 0.89 O ATOM 357 C5' DT A 12 -13.615 -4.099 -2.063 1.00 1.30 C ATOM 358 C4' DT A 12 -13.527 -3.521 -0.645 1.00 1.42 C ATOM 359 O4' DT A 12 -12.574 -4.267 0.114 1.00 1.39 O ATOM 360 C3' DT A 12 -13.110 -2.049 -0.586 1.00 1.36 C ATOM 361 O3' DT A 12 -13.915 -1.337 0.386 1.00 1.79 O ATOM 362 C2' DT A 12 -11.647 -2.082 -0.160 1.00 1.04 C ATOM 363 C1' DT A 12 -11.546 -3.398 0.601 1.00 1.24 C ATOM 364 N1 DT A 12 -10.267 -4.105 0.409 1.00 1.18 N ATOM 365 C2 DT A 12 -9.337 -4.047 1.430 1.00 1.57 C ATOM 366 O2 DT A 12 -9.528 -3.400 2.457 1.00 1.83 O ATOM 367 N3 DT A 12 -8.165 -4.747 1.218 1.00 1.78 N ATOM 368 C4 DT A 12 -7.847 -5.486 0.092 1.00 1.68 C ATOM 369 O4 DT A 12 -6.773 -6.072 0.014 1.00 2.05 O ATOM 370 C5 DT A 12 -8.877 -5.485 -0.923 1.00 1.24 C ATOM 371 C7 DT A 12 -8.658 -6.257 -2.223 1.00 1.26 C ATOM 372 C6 DT A 12 -10.028 -4.812 -0.739 1.00 0.99 C ATOM 0 H5' DT A 12 -14.066 -5.090 -2.022 1.00 1.30 H new ATOM 0 H5'' DT A 12 -14.272 -3.475 -2.668 1.00 1.30 H new ATOM 0 H4' DT A 12 -14.536 -3.592 -0.239 1.00 1.42 H new ATOM 0 H3' DT A 12 -13.248 -1.536 -1.538 1.00 1.36 H new ATOM 0 H2' DT A 12 -10.975 -2.059 -1.018 1.00 1.04 H new ATOM 0 H2'' DT A 12 -11.390 -1.230 0.469 1.00 1.04 H new ATOM 0 H1' DT A 12 -11.637 -3.155 1.660 1.00 1.24 H new ATOM 0 H3 DT A 12 -7.468 -4.716 1.962 1.00 1.78 H new ATOM 0 H71 DT A 12 -9.618 -6.602 -2.607 1.00 1.26 H new ATOM 0 H72 DT A 12 -8.186 -5.605 -2.958 1.00 1.26 H new ATOM 0 H73 DT A 12 -8.014 -7.115 -2.032 1.00 1.26 H new ATOM 0 H6 DT A 12 -10.780 -4.830 -1.514 1.00 0.99 H new ATOM 385 P DA A 13 -13.950 -1.715 1.965 1.00 2.01 P ATOM 386 OP1 DA A 13 -13.871 -3.185 2.106 1.00 2.25 O ATOM 387 OP2 DA A 13 -15.075 -0.981 2.587 1.00 2.84 O ATOM 388 O5' DA A 13 -12.575 -1.081 2.515 1.00 1.57 O ATOM 389 C5' DA A 13 -12.597 0.112 3.309 1.00 1.17 C ATOM 390 C4' DA A 13 -11.193 0.588 3.677 1.00 0.82 C ATOM 391 O4' DA A 13 -10.460 0.896 2.486 1.00 0.87 O ATOM 392 C3' DA A 13 -11.191 1.844 4.554 1.00 0.78 C ATOM 393 O3' DA A 13 -10.228 1.694 5.609 1.00 0.83 O ATOM 394 C2' DA A 13 -10.764 2.958 3.609 1.00 0.89 C ATOM 395 C1' DA A 13 -9.903 2.206 2.610 1.00 0.87 C ATOM 396 N9 DA A 13 -9.876 2.807 1.259 1.00 0.93 N ATOM 397 C8 DA A 13 -10.839 2.760 0.284 1.00 1.05 C ATOM 398 N7 DA A 13 -10.520 3.400 -0.807 1.00 1.12 N ATOM 399 C5 DA A 13 -9.252 3.908 -0.536 1.00 1.07 C ATOM 400 C6 DA A 13 -8.355 4.684 -1.292 1.00 1.18 C ATOM 401 N6 DA A 13 -8.614 5.108 -2.525 1.00 1.30 N ATOM 402 N1 DA A 13 -7.186 5.006 -0.721 1.00 1.25 N ATOM 403 C2 DA A 13 -6.932 4.587 0.511 1.00 1.18 C ATOM 404 N3 DA A 13 -7.687 3.859 1.322 1.00 1.03 N ATOM 405 C4 DA A 13 -8.852 3.549 0.722 1.00 0.97 C ATOM 0 H5' DA A 13 -13.167 -0.071 4.220 1.00 1.17 H new ATOM 0 H5'' DA A 13 -13.114 0.900 2.762 1.00 1.17 H new ATOM 0 H4' DA A 13 -10.736 -0.226 4.240 1.00 0.82 H new ATOM 0 H3' DA A 13 -12.157 2.040 5.020 1.00 0.78 H new ATOM 0 H2' DA A 13 -11.618 3.439 3.132 1.00 0.89 H new ATOM 0 H2'' DA A 13 -10.205 3.739 4.124 1.00 0.89 H new ATOM 0 H1' DA A 13 -8.879 2.222 2.983 1.00 0.87 H new ATOM 0 H8 DA A 13 -11.777 2.240 0.408 1.00 1.05 H new ATOM 0 H61 DA A 13 -7.925 5.669 -3.027 1.00 1.30 H new ATOM 0 H62 DA A 13 -9.501 4.873 -2.969 1.00 1.30 H new ATOM 0 H2 DA A 13 -5.973 4.881 0.911 1.00 1.18 H new ATOM 417 P DG A 14 -10.711 1.610 7.147 1.00 1.30 P ATOM 418 OP1 DG A 14 -10.285 0.305 7.697 1.00 1.56 O ATOM 419 OP2 DG A 14 -12.142 1.981 7.194 1.00 1.71 O ATOM 420 O5' DG A 14 -9.859 2.789 7.857 1.00 1.33 O ATOM 421 C5' DG A 14 -8.596 2.531 8.493 1.00 0.84 C ATOM 422 C4' DG A 14 -7.864 1.351 7.854 1.00 0.52 C ATOM 423 O4' DG A 14 -7.648 1.606 6.471 1.00 0.48 O ATOM 424 C3' DG A 14 -6.495 1.027 8.468 1.00 0.42 C ATOM 425 O3' DG A 14 -6.549 -0.311 9.000 1.00 0.49 O ATOM 426 C2' DG A 14 -5.522 1.111 7.284 1.00 0.49 C ATOM 427 C1' DG A 14 -6.468 0.915 6.112 1.00 0.45 C ATOM 428 N9 DG A 14 -5.998 1.458 4.828 1.00 0.49 N ATOM 429 C8 DG A 14 -5.065 2.433 4.588 1.00 0.55 C ATOM 430 N7 DG A 14 -4.844 2.649 3.323 1.00 0.62 N ATOM 431 C5 DG A 14 -5.695 1.756 2.679 1.00 0.60 C ATOM 432 C6 DG A 14 -5.896 1.528 1.293 1.00 0.68 C ATOM 433 O6 DG A 14 -5.351 2.085 0.350 1.00 0.79 O ATOM 434 N1 DG A 14 -6.844 0.539 1.071 1.00 0.71 N ATOM 435 C2 DG A 14 -7.516 -0.144 2.060 1.00 0.70 C ATOM 436 N2 DG A 14 -8.393 -1.056 1.661 1.00 0.83 N ATOM 437 N3 DG A 14 -7.329 0.069 3.359 1.00 0.62 N ATOM 438 C4 DG A 14 -6.407 1.028 3.593 1.00 0.55 C ATOM 0 H5' DG A 14 -8.758 2.327 9.551 1.00 0.84 H new ATOM 0 H5'' DG A 14 -7.971 3.422 8.432 1.00 0.84 H new ATOM 0 H4' DG A 14 -8.516 0.496 8.032 1.00 0.52 H new ATOM 0 H3' DG A 14 -6.197 1.695 9.276 1.00 0.42 H new ATOM 0 H2' DG A 14 -5.007 2.071 7.241 1.00 0.49 H new ATOM 0 H2'' DG A 14 -4.754 0.339 7.327 1.00 0.49 H new ATOM 0 H1' DG A 14 -6.585 -0.156 5.946 1.00 0.45 H new ATOM 0 H8 DG A 14 -4.560 2.972 5.375 1.00 0.55 H new ATOM 0 H1 DG A 14 -7.059 0.300 0.103 1.00 0.71 H new ATOM 0 H21 DG A 14 -8.920 -1.593 2.350 1.00 0.83 H new ATOM 0 H22 DG A 14 -8.540 -1.220 0.665 1.00 0.83 H new ATOM 450 P DG A 15 -5.260 -1.282 9.030 1.00 0.49 P ATOM 451 OP1 DG A 15 -5.558 -2.419 9.929 1.00 0.57 O ATOM 452 OP2 DG A 15 -4.053 -0.456 9.263 1.00 0.56 O ATOM 453 O5' DG A 15 -5.212 -1.845 7.518 1.00 0.53 O ATOM 454 C5' DG A 15 -4.398 -2.977 7.179 1.00 0.55 C ATOM 455 C4' DG A 15 -5.198 -4.070 6.460 1.00 0.50 C ATOM 456 O4' DG A 15 -5.610 -3.607 5.162 1.00 0.48 O ATOM 457 C3' DG A 15 -4.395 -5.341 6.204 1.00 0.51 C ATOM 458 O3' DG A 15 -5.298 -6.455 6.057 1.00 0.58 O ATOM 459 C2' DG A 15 -3.737 -5.016 4.880 1.00 0.45 C ATOM 460 C1' DG A 15 -4.907 -4.369 4.164 1.00 0.45 C ATOM 461 N9 DG A 15 -4.526 -3.453 3.068 1.00 0.43 N ATOM 462 C8 DG A 15 -4.600 -3.647 1.709 1.00 0.44 C ATOM 463 N7 DG A 15 -4.181 -2.631 1.010 1.00 0.44 N ATOM 464 C5 DG A 15 -3.802 -1.698 1.967 1.00 0.43 C ATOM 465 C6 DG A 15 -3.268 -0.393 1.804 1.00 0.48 C ATOM 466 O6 DG A 15 -3.006 0.201 0.760 1.00 0.54 O ATOM 467 N1 DG A 15 -3.028 0.212 3.026 1.00 0.49 N ATOM 468 C2 DG A 15 -3.269 -0.362 4.252 1.00 0.46 C ATOM 469 N2 DG A 15 -2.968 0.372 5.318 1.00 0.50 N ATOM 470 N3 DG A 15 -3.768 -1.586 4.408 1.00 0.44 N ATOM 471 C4 DG A 15 -4.011 -2.193 3.227 1.00 0.42 C ATOM 0 H5' DG A 15 -3.956 -3.389 8.086 1.00 0.55 H new ATOM 0 H5'' DG A 15 -3.575 -2.653 6.542 1.00 0.55 H new ATOM 0 H4' DG A 15 -6.036 -4.291 7.121 1.00 0.50 H new ATOM 0 H3' DG A 15 -3.694 -5.610 6.994 1.00 0.51 H new ATOM 0 H2' DG A 15 -2.889 -4.340 4.990 1.00 0.45 H new ATOM 0 H2'' DG A 15 -3.372 -5.905 4.365 1.00 0.45 H new ATOM 0 H1' DG A 15 -5.498 -5.159 3.700 1.00 0.45 H new ATOM 0 H8 DG A 15 -4.971 -4.558 1.262 1.00 0.44 H new ATOM 0 H1 DG A 15 -2.643 1.156 3.016 1.00 0.49 H new ATOM 0 H21 DG A 15 -3.125 -0.001 6.255 1.00 0.50 H new ATOM 0 H22 DG A 15 -2.580 1.308 5.200 1.00 0.50 H new ATOM 483 P DG A 16 -4.758 -7.961 5.819 1.00 0.59 P ATOM 484 OP1 DG A 16 -5.905 -8.890 5.898 1.00 0.68 O ATOM 485 OP2 DG A 16 -3.580 -8.181 6.684 1.00 0.63 O ATOM 486 O5' DG A 16 -4.246 -7.931 4.284 1.00 0.59 O ATOM 487 C5' DG A 16 -5.128 -8.266 3.204 1.00 0.57 C ATOM 488 C4' DG A 16 -4.399 -8.310 1.856 1.00 0.52 C ATOM 489 O4' DG A 16 -3.884 -7.012 1.532 1.00 0.51 O ATOM 490 C3' DG A 16 -3.216 -9.287 1.805 1.00 0.46 C ATOM 491 O3' DG A 16 -3.307 -10.066 0.603 1.00 0.55 O ATOM 492 C2' DG A 16 -1.991 -8.379 1.740 1.00 0.41 C ATOM 493 C1' DG A 16 -2.565 -7.178 1.018 1.00 0.43 C ATOM 494 N9 DG A 16 -1.834 -5.920 1.244 1.00 0.40 N ATOM 495 C8 DG A 16 -1.416 -5.377 2.428 1.00 0.40 C ATOM 496 N7 DG A 16 -0.837 -4.215 2.303 1.00 0.38 N ATOM 497 C5 DG A 16 -0.867 -3.974 0.933 1.00 0.35 C ATOM 498 C6 DG A 16 -0.381 -2.865 0.190 1.00 0.35 C ATOM 499 O6 DG A 16 0.175 -1.853 0.607 1.00 0.40 O ATOM 500 N1 DG A 16 -0.609 -3.025 -1.167 1.00 0.33 N ATOM 501 C2 DG A 16 -1.227 -4.110 -1.745 1.00 0.34 C ATOM 502 N2 DG A 16 -1.354 -4.081 -3.068 1.00 0.36 N ATOM 503 N3 DG A 16 -1.687 -5.151 -1.053 1.00 0.36 N ATOM 504 C4 DG A 16 -1.474 -5.015 0.277 1.00 0.36 C ATOM 0 H5' DG A 16 -5.935 -7.535 3.155 1.00 0.57 H new ATOM 0 H5'' DG A 16 -5.587 -9.235 3.399 1.00 0.57 H new ATOM 0 H4' DG A 16 -5.150 -8.652 1.144 1.00 0.52 H new ATOM 0 H3' DG A 16 -3.185 -9.974 2.650 1.00 0.46 H new ATOM 0 H2' DG A 16 -1.613 -8.124 2.730 1.00 0.41 H new ATOM 0 H2'' DG A 16 -1.167 -8.836 1.192 1.00 0.41 H new ATOM 0 H1' DG A 16 -2.511 -7.370 -0.054 1.00 0.43 H new ATOM 0 H8 DG A 16 -1.553 -5.867 3.381 1.00 0.40 H new ATOM 0 H1 DG A 16 -0.294 -2.279 -1.787 1.00 0.33 H new ATOM 0 H21 DG A 16 -1.804 -4.857 -3.554 1.00 0.36 H new ATOM 0 H22 DG A 16 -1.002 -3.283 -3.597 1.00 0.36 H new ATOM 516 P DC A 17 -2.437 -11.408 0.399 1.00 0.50 P ATOM 517 OP1 DC A 17 -3.373 -12.524 0.121 1.00 0.69 O ATOM 518 OP2 DC A 17 -1.473 -11.515 1.518 1.00 0.53 O ATOM 519 O5' DC A 17 -1.615 -11.086 -0.947 1.00 0.58 O ATOM 520 C5' DC A 17 -2.273 -10.998 -2.219 1.00 0.66 C ATOM 521 C4' DC A 17 -1.352 -10.384 -3.269 1.00 0.69 C ATOM 522 O4' DC A 17 -1.161 -9.005 -2.981 1.00 0.63 O ATOM 523 C3' DC A 17 0.027 -11.031 -3.308 1.00 0.71 C ATOM 524 O3' DC A 17 0.157 -11.823 -4.489 1.00 0.96 O ATOM 525 C2' DC A 17 1.026 -9.876 -3.353 1.00 0.61 C ATOM 526 C1' DC A 17 0.150 -8.628 -3.397 1.00 0.58 C ATOM 527 N1 DC A 17 0.606 -7.562 -2.484 1.00 0.49 N ATOM 528 C2 DC A 17 1.106 -6.392 -3.041 1.00 0.50 C ATOM 529 O2 DC A 17 1.150 -6.256 -4.263 1.00 0.61 O ATOM 530 N3 DC A 17 1.546 -5.417 -2.199 1.00 0.45 N ATOM 531 C4 DC A 17 1.495 -5.586 -0.871 1.00 0.39 C ATOM 532 N4 DC A 17 1.933 -4.621 -0.073 1.00 0.40 N ATOM 533 C5 DC A 17 0.977 -6.788 -0.298 1.00 0.37 C ATOM 534 C6 DC A 17 0.548 -7.742 -1.136 1.00 0.42 C ATOM 0 H5' DC A 17 -3.176 -10.395 -2.125 1.00 0.66 H new ATOM 0 H5'' DC A 17 -2.586 -11.992 -2.540 1.00 0.66 H new ATOM 0 H4' DC A 17 -1.837 -10.543 -4.232 1.00 0.69 H new ATOM 0 H3' DC A 17 0.193 -11.679 -2.448 1.00 0.71 H new ATOM 0 H2' DC A 17 1.676 -9.876 -2.478 1.00 0.61 H new ATOM 0 H2'' DC A 17 1.671 -9.941 -4.229 1.00 0.61 H new ATOM 0 H1' DC A 17 0.189 -8.238 -4.414 1.00 0.58 H new ATOM 0 H41 DC A 17 1.898 -4.741 0.939 1.00 0.40 H new ATOM 0 H42 DC A 17 2.305 -3.759 -0.472 1.00 0.40 H new ATOM 0 H5 DC A 17 0.933 -6.923 0.773 1.00 0.37 H new ATOM 0 H6 DC A 17 0.152 -8.664 -0.737 1.00 0.42 H new ATOM 546 P DT A 18 0.352 -13.417 -4.369 1.00 1.19 P ATOM 547 OP1 DT A 18 0.770 -13.932 -5.691 1.00 1.56 O ATOM 548 OP2 DT A 18 -0.843 -13.981 -3.702 1.00 1.59 O ATOM 549 O5' DT A 18 1.605 -13.544 -3.362 1.00 1.04 O ATOM 550 C5' DT A 18 2.942 -13.340 -3.830 1.00 1.01 C ATOM 551 C4' DT A 18 3.962 -13.479 -2.703 1.00 0.96 C ATOM 552 O4' DT A 18 5.278 -13.441 -3.255 1.00 1.24 O ATOM 553 C3' DT A 18 3.864 -12.386 -1.640 1.00 0.87 C ATOM 554 O3' DT A 18 3.885 -12.982 -0.337 1.00 0.85 O ATOM 555 C2' DT A 18 5.107 -11.527 -1.837 1.00 1.10 C ATOM 556 C1' DT A 18 6.059 -12.447 -2.591 1.00 1.30 C ATOM 557 N1 DT A 18 6.852 -11.758 -3.630 1.00 1.50 N ATOM 558 C2 DT A 18 8.213 -11.995 -3.668 1.00 1.80 C ATOM 559 O2 DT A 18 8.773 -12.736 -2.866 1.00 1.92 O ATOM 560 N3 DT A 18 8.913 -11.340 -4.663 1.00 2.00 N ATOM 561 C4 DT A 18 8.381 -10.482 -5.606 1.00 1.95 C ATOM 562 O4 DT A 18 9.104 -9.956 -6.448 1.00 2.18 O ATOM 563 C5 DT A 18 6.951 -10.294 -5.489 1.00 1.69 C ATOM 564 C7 DT A 18 6.225 -9.364 -6.460 1.00 1.75 C ATOM 565 C6 DT A 18 6.246 -10.922 -4.529 1.00 1.48 C ATOM 0 H5' DT A 18 3.024 -12.348 -4.275 1.00 1.01 H new ATOM 0 H5'' DT A 18 3.167 -14.062 -4.615 1.00 1.01 H new ATOM 0 H4' DT A 18 3.746 -14.429 -2.214 1.00 0.96 H new ATOM 0 H3' DT A 18 2.947 -11.804 -1.726 1.00 0.87 H new ATOM 0 H2' DT A 18 4.885 -10.625 -2.407 1.00 1.10 H new ATOM 0 H2'' DT A 18 5.529 -11.207 -0.884 1.00 1.10 H new ATOM 0 H1' DT A 18 6.752 -12.855 -1.856 1.00 1.30 H new ATOM 0 H3 DT A 18 9.919 -11.506 -4.705 1.00 2.00 H new ATOM 0 H71 DT A 18 5.203 -9.714 -6.604 1.00 1.75 H new ATOM 0 H72 DT A 18 6.208 -8.353 -6.052 1.00 1.75 H new ATOM 0 H73 DT A 18 6.745 -9.360 -7.418 1.00 1.75 H new ATOM 0 H6 DT A 18 5.180 -10.763 -4.467 1.00 1.48 H new ATOM 578 P DA A 19 2.917 -12.423 0.823 1.00 0.72 P ATOM 579 OP1 DA A 19 3.099 -13.264 2.028 1.00 0.81 O ATOM 580 OP2 DA A 19 1.567 -12.237 0.246 1.00 0.76 O ATOM 581 O5' DA A 19 3.534 -10.964 1.119 1.00 0.71 O ATOM 582 C5' DA A 19 4.386 -10.738 2.248 1.00 0.66 C ATOM 583 C4' DA A 19 4.727 -9.257 2.407 1.00 0.60 C ATOM 584 O4' DA A 19 5.596 -8.837 1.346 1.00 0.68 O ATOM 585 C3' DA A 19 3.517 -8.333 2.363 1.00 0.49 C ATOM 586 O3' DA A 19 3.013 -8.132 3.688 1.00 0.47 O ATOM 587 C2' DA A 19 4.104 -7.042 1.818 1.00 0.53 C ATOM 588 C1' DA A 19 5.142 -7.571 0.842 1.00 0.63 C ATOM 589 N9 DA A 19 4.622 -7.789 -0.521 1.00 0.73 N ATOM 590 C8 DA A 19 3.779 -8.772 -0.971 1.00 0.81 C ATOM 591 N7 DA A 19 3.499 -8.686 -2.240 1.00 0.99 N ATOM 592 C5 DA A 19 4.208 -7.569 -2.664 1.00 1.03 C ATOM 593 C6 DA A 19 4.331 -6.943 -3.915 1.00 1.27 C ATOM 594 N6 DA A 19 3.716 -7.381 -5.014 1.00 1.45 N ATOM 595 N1 DA A 19 5.113 -5.855 -3.985 1.00 1.37 N ATOM 596 C2 DA A 19 5.724 -5.426 -2.885 1.00 1.27 C ATOM 597 N3 DA A 19 5.687 -5.927 -1.659 1.00 1.05 N ATOM 598 C4 DA A 19 4.895 -7.016 -1.622 1.00 0.91 C ATOM 0 H5' DA A 19 5.305 -11.313 2.132 1.00 0.66 H new ATOM 0 H5'' DA A 19 3.896 -11.098 3.152 1.00 0.66 H new ATOM 0 H4' DA A 19 5.191 -9.178 3.390 1.00 0.60 H new ATOM 0 H3' DA A 19 2.688 -8.716 1.768 1.00 0.49 H new ATOM 0 H2' DA A 19 3.353 -6.426 1.324 1.00 0.53 H new ATOM 0 H2'' DA A 19 4.552 -6.431 2.602 1.00 0.53 H new ATOM 0 H1' DA A 19 5.932 -6.823 0.766 1.00 0.63 H new ATOM 0 H8 DA A 19 3.383 -9.547 -0.331 1.00 0.81 H new ATOM 0 H61 DA A 19 3.840 -6.888 -5.898 1.00 1.45 H new ATOM 0 H62 DA A 19 3.122 -8.209 -4.970 1.00 1.45 H new ATOM 0 H2 DA A 19 6.337 -4.545 -3.008 1.00 1.27 H new ATOM 610 P DG A 20 2.211 -6.789 4.068 1.00 0.42 P ATOM 611 OP1 DG A 20 1.539 -7.011 5.367 1.00 0.52 O ATOM 612 OP2 DG A 20 1.419 -6.368 2.889 1.00 0.44 O ATOM 613 O5' DG A 20 3.411 -5.739 4.292 1.00 0.46 O ATOM 614 C5' DG A 20 4.285 -5.869 5.422 1.00 0.54 C ATOM 615 C4' DG A 20 3.977 -4.822 6.487 1.00 0.49 C ATOM 616 O4' DG A 20 4.468 -3.553 6.060 1.00 0.48 O ATOM 617 C3' DG A 20 2.491 -4.644 6.755 1.00 0.45 C ATOM 618 O3' DG A 20 2.283 -4.166 8.090 1.00 0.46 O ATOM 619 C2' DG A 20 2.092 -3.577 5.753 1.00 0.44 C ATOM 620 C1' DG A 20 3.362 -2.731 5.663 1.00 0.46 C ATOM 621 N9 DG A 20 3.649 -2.226 4.308 1.00 0.45 N ATOM 622 C8 DG A 20 3.483 -2.852 3.100 1.00 0.47 C ATOM 623 N7 DG A 20 3.818 -2.118 2.073 1.00 0.47 N ATOM 624 C5 DG A 20 4.238 -0.920 2.645 1.00 0.45 C ATOM 625 C6 DG A 20 4.720 0.268 2.029 1.00 0.47 C ATOM 626 O6 DG A 20 4.871 0.505 0.833 1.00 0.51 O ATOM 627 N1 DG A 20 5.035 1.235 2.970 1.00 0.48 N ATOM 628 C2 DG A 20 4.904 1.084 4.332 1.00 0.48 C ATOM 629 N2 DG A 20 5.259 2.124 5.078 1.00 0.53 N ATOM 630 N3 DG A 20 4.450 -0.025 4.913 1.00 0.47 N ATOM 631 C4 DG A 20 4.138 -0.981 4.012 1.00 0.45 C ATOM 0 H5' DG A 20 5.320 -5.766 5.097 1.00 0.54 H new ATOM 0 H5'' DG A 20 4.183 -6.866 5.850 1.00 0.54 H new ATOM 0 H4' DG A 20 4.456 -5.178 7.399 1.00 0.49 H new ATOM 0 H3' DG A 20 1.920 -5.567 6.660 1.00 0.45 H new ATOM 0 H2' DG A 20 1.818 -4.005 4.789 1.00 0.44 H new ATOM 0 H2'' DG A 20 1.238 -2.994 6.097 1.00 0.44 H new ATOM 0 H1' DG A 20 3.213 -1.865 6.308 1.00 0.46 H new ATOM 0 H8 DG A 20 3.109 -3.861 3.006 1.00 0.47 H new ATOM 0 H1 DG A 20 5.391 2.127 2.627 1.00 0.48 H new ATOM 0 H21 DG A 20 5.184 2.072 6.094 1.00 0.53 H new ATOM 0 H22 DG A 20 5.606 2.975 4.635 1.00 0.53 H new ATOM 643 P DG A 21 0.794 -3.831 8.616 1.00 0.48 P ATOM 644 OP1 DG A 21 0.678 -4.281 10.020 1.00 0.61 O ATOM 645 OP2 DG A 21 -0.181 -4.311 7.608 1.00 0.49 O ATOM 646 O5' DG A 21 0.777 -2.214 8.609 1.00 0.46 O ATOM 647 C5' DG A 21 1.487 -1.479 9.617 1.00 0.43 C ATOM 648 C4' DG A 21 1.490 0.033 9.362 1.00 0.42 C ATOM 649 O4' DG A 21 2.015 0.313 8.065 1.00 0.40 O ATOM 650 C3' DG A 21 0.108 0.707 9.432 1.00 0.43 C ATOM 651 O3' DG A 21 0.076 1.608 10.555 1.00 0.51 O ATOM 652 C2' DG A 21 -0.009 1.493 8.125 1.00 0.42 C ATOM 653 C1' DG A 21 1.431 1.536 7.645 1.00 0.40 C ATOM 654 N9 DG A 21 1.583 1.648 6.180 1.00 0.37 N ATOM 655 C8 DG A 21 2.192 2.642 5.462 1.00 0.42 C ATOM 656 N7 DG A 21 2.165 2.458 4.173 1.00 0.41 N ATOM 657 C5 DG A 21 1.486 1.253 4.022 1.00 0.36 C ATOM 658 C6 DG A 21 1.151 0.540 2.840 1.00 0.34 C ATOM 659 O6 DG A 21 1.380 0.851 1.673 1.00 0.38 O ATOM 660 N1 DG A 21 0.470 -0.634 3.131 1.00 0.31 N ATOM 661 C2 DG A 21 0.146 -1.066 4.399 1.00 0.31 C ATOM 662 N2 DG A 21 -0.513 -2.218 4.484 1.00 0.34 N ATOM 663 N3 DG A 21 0.455 -0.396 5.509 1.00 0.32 N ATOM 664 C4 DG A 21 1.125 0.750 5.247 1.00 0.33 C ATOM 0 H5' DG A 21 2.516 -1.837 9.663 1.00 0.43 H new ATOM 0 H5'' DG A 21 1.036 -1.677 10.589 1.00 0.43 H new ATOM 0 H4' DG A 21 2.104 0.439 10.166 1.00 0.42 H new ATOM 0 H3' DG A 21 -0.706 -0.008 9.554 1.00 0.43 H new ATOM 0 H2' DG A 21 -0.662 0.996 7.408 1.00 0.42 H new ATOM 0 H2'' DG A 21 -0.414 2.492 8.286 1.00 0.42 H new ATOM 0 H1' DG A 21 1.905 2.426 8.060 1.00 0.40 H new ATOM 0 H8 DG A 21 2.654 3.502 5.924 1.00 0.42 H new ATOM 0 H1 DG A 21 0.188 -1.222 2.347 1.00 0.31 H new ATOM 0 H21 DG A 21 -0.779 -2.587 5.397 1.00 0.34 H new ATOM 0 H22 DG A 21 -0.752 -2.732 3.636 1.00 0.34 H new ATOM 676 P DG A 22 -1.251 2.462 10.910 1.00 0.48 P ATOM 677 OP1 DG A 22 -1.225 2.787 12.355 1.00 0.53 O ATOM 678 OP2 DG A 22 -2.420 1.766 10.332 1.00 0.49 O ATOM 679 O5' DG A 22 -1.022 3.826 10.083 1.00 0.56 O ATOM 680 C5' DG A 22 0.102 4.671 10.364 1.00 0.68 C ATOM 681 C4' DG A 22 0.114 5.909 9.470 1.00 0.63 C ATOM 682 O4' DG A 22 0.193 5.508 8.095 1.00 0.55 O ATOM 683 C3' DG A 22 -1.132 6.783 9.605 1.00 0.73 C ATOM 684 O3' DG A 22 -0.812 8.169 9.439 1.00 0.86 O ATOM 685 C2' DG A 22 -2.008 6.280 8.475 1.00 0.62 C ATOM 686 C1' DG A 22 -0.960 6.004 7.410 1.00 0.47 C ATOM 687 N9 DG A 22 -1.358 4.997 6.411 1.00 0.38 N ATOM 688 C8 DG A 22 -2.003 3.802 6.603 1.00 0.40 C ATOM 689 N7 DG A 22 -2.207 3.130 5.505 1.00 0.41 N ATOM 690 C5 DG A 22 -1.659 3.938 4.513 1.00 0.36 C ATOM 691 C6 DG A 22 -1.581 3.734 3.110 1.00 0.38 C ATOM 692 O6 DG A 22 -1.974 2.773 2.455 1.00 0.45 O ATOM 693 N1 DG A 22 -0.955 4.793 2.477 1.00 0.36 N ATOM 694 C2 DG A 22 -0.458 5.911 3.105 1.00 0.34 C ATOM 695 N2 DG A 22 0.112 6.821 2.325 1.00 0.39 N ATOM 696 N3 DG A 22 -0.525 6.107 4.422 1.00 0.34 N ATOM 697 C4 DG A 22 -1.138 5.083 5.060 1.00 0.34 C ATOM 0 H5' DG A 22 1.025 4.109 10.220 1.00 0.68 H new ATOM 0 H5'' DG A 22 0.075 4.977 11.410 1.00 0.68 H new ATOM 0 H4' DG A 22 0.978 6.492 9.790 1.00 0.63 H new ATOM 0 H3' DG A 22 -1.607 6.717 10.584 1.00 0.73 H new ATOM 0 H2' DG A 22 -2.565 5.384 8.750 1.00 0.62 H new ATOM 0 H2'' DG A 22 -2.738 7.023 8.155 1.00 0.62 H new ATOM 0 HO3' DG A 22 -1.627 8.706 9.528 1.00 0.86 H new ATOM 0 H1' DG A 22 -0.792 6.931 6.862 1.00 0.47 H new ATOM 0 H8 DG A 22 -2.314 3.450 7.576 1.00 0.40 H new ATOM 0 H1 DG A 22 -0.854 4.740 1.463 1.00 0.36 H new ATOM 0 H21 DG A 22 0.499 7.672 2.733 1.00 0.39 H new ATOM 0 H22 DG A 22 0.163 6.669 1.318 1.00 0.39 H new TER 710 DG A 22