USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 173 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot -136:sc= 1.07 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -1.02 (180deg=-3.14) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.407 (180deg=-0.407) USER MOD Single : A 12 DT C7 :methyl 150:sc=-0.00423 (180deg=-0.00423) USER MOD Single : A 13 DT C7 :methyl -30:sc=-0.000121 (180deg=-0.0744) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 9.255 2.677 -11.820 1.00 0.38 O ATOM 2 C5' DG A 1 9.286 2.547 -13.236 1.00 0.35 C ATOM 3 C4' DG A 1 9.480 1.098 -13.661 1.00 0.25 C ATOM 4 O4' DG A 1 10.724 0.538 -13.178 1.00 0.25 O ATOM 5 C3' DG A 1 8.376 0.137 -13.114 1.00 0.24 C ATOM 6 O3' DG A 1 8.030 -0.884 -14.038 1.00 0.22 O ATOM 7 C2' DG A 1 9.172 -0.478 -11.986 1.00 0.25 C ATOM 8 C1' DG A 1 10.508 -0.773 -12.614 1.00 0.22 C ATOM 9 N9 DG A 1 11.596 -1.193 -11.662 1.00 0.18 N ATOM 10 C8 DG A 1 12.948 -1.210 -11.849 1.00 0.21 C ATOM 11 N7 DG A 1 13.613 -1.588 -10.801 1.00 0.19 N ATOM 12 C5 DG A 1 12.641 -1.852 -9.846 1.00 0.14 C ATOM 13 C6 DG A 1 12.750 -2.294 -8.515 1.00 0.13 C ATOM 14 O6 DG A 1 13.764 -2.548 -7.891 1.00 0.16 O ATOM 15 N1 DG A 1 11.515 -2.430 -7.907 1.00 0.12 N ATOM 16 C2 DG A 1 10.306 -2.160 -8.531 1.00 0.12 C ATOM 17 N2 DG A 1 9.192 -2.297 -7.853 1.00 0.15 N ATOM 18 N3 DG A 1 10.188 -1.743 -9.784 1.00 0.13 N ATOM 19 C4 DG A 1 11.402 -1.609 -10.369 1.00 0.14 C ATOM 0 H5' DG A 1 10.094 3.157 -13.640 1.00 0.35 H new ATOM 0 H5'' DG A 1 8.356 2.929 -13.658 1.00 0.35 H new ATOM 0 H4' DG A 1 9.451 1.155 -14.749 1.00 0.25 H new ATOM 0 H3' DG A 1 7.432 0.625 -12.871 1.00 0.24 H new ATOM 0 H2' DG A 1 9.268 0.207 -11.143 1.00 0.25 H new ATOM 0 H2'' DG A 1 8.698 -1.384 -11.608 1.00 0.25 H new ATOM 0 HO5' DG A 1 8.530 3.284 -11.563 1.00 0.38 H new ATOM 0 H1' DG A 1 10.524 -1.625 -13.294 1.00 0.22 H new ATOM 0 H8 DG A 1 13.419 -0.935 -12.781 1.00 0.21 H new ATOM 0 H1 DG A 1 11.492 -2.749 -6.938 1.00 0.12 H new ATOM 0 H21 DG A 1 8.296 -2.102 -8.300 1.00 0.15 H new ATOM 0 H22 DG A 1 9.222 -2.599 -6.879 1.00 0.15 H new ATOM 32 P DG A 2 7.101 -2.131 -13.660 1.00 0.18 P ATOM 33 OP1 DG A 2 6.231 -2.494 -14.813 1.00 0.25 O ATOM 34 OP2 DG A 2 6.478 -1.866 -12.349 1.00 0.24 O ATOM 35 O5' DG A 2 8.166 -3.370 -13.406 1.00 0.19 O ATOM 36 C5' DG A 2 9.041 -3.882 -14.430 1.00 0.21 C ATOM 37 C4' DG A 2 9.875 -5.061 -13.924 1.00 0.18 C ATOM 38 O4' DG A 2 10.611 -4.746 -12.681 1.00 0.18 O ATOM 39 C3' DG A 2 8.928 -6.255 -13.615 1.00 0.15 C ATOM 40 O3' DG A 2 9.399 -7.599 -13.937 1.00 0.21 O ATOM 41 C2' DG A 2 8.803 -5.952 -12.144 1.00 0.13 C ATOM 42 C1' DG A 2 10.228 -5.721 -11.699 1.00 0.15 C ATOM 43 N9 DG A 2 10.512 -5.562 -10.266 1.00 0.12 N ATOM 44 C8 DG A 2 9.661 -5.326 -9.224 1.00 0.13 C ATOM 45 N7 DG A 2 10.248 -5.258 -8.081 1.00 0.13 N ATOM 46 C5 DG A 2 11.564 -5.456 -8.347 1.00 0.11 C ATOM 47 C6 DG A 2 12.619 -5.476 -7.430 1.00 0.14 C ATOM 48 O6 DG A 2 12.527 -5.312 -6.213 1.00 0.19 O ATOM 49 N1 DG A 2 13.822 -5.702 -8.060 1.00 0.18 N ATOM 50 C2 DG A 2 13.987 -5.890 -9.404 1.00 0.19 C ATOM 51 N2 DG A 2 15.236 -6.094 -9.834 1.00 0.26 N ATOM 52 N3 DG A 2 12.963 -5.872 -10.274 1.00 0.18 N ATOM 53 C4 DG A 2 11.768 -5.645 -9.680 1.00 0.13 C ATOM 0 H5' DG A 2 9.704 -3.088 -14.773 1.00 0.21 H new ATOM 0 H5'' DG A 2 8.450 -4.197 -15.290 1.00 0.21 H new ATOM 0 H4' DG A 2 10.598 -5.299 -14.705 1.00 0.18 H new ATOM 0 H3' DG A 2 8.018 -6.307 -14.212 1.00 0.15 H new ATOM 0 H2' DG A 2 8.182 -5.074 -11.968 1.00 0.13 H new ATOM 0 H2'' DG A 2 8.345 -6.780 -11.603 1.00 0.13 H new ATOM 0 H1' DG A 2 10.889 -6.588 -11.694 1.00 0.15 H new ATOM 0 H8 DG A 2 8.595 -5.208 -9.348 1.00 0.13 H new ATOM 0 H1 DG A 2 14.658 -5.732 -7.477 1.00 0.18 H new ATOM 0 H21 DG A 2 15.416 -6.240 -10.827 1.00 0.26 H new ATOM 0 H22 DG A 2 16.009 -6.104 -9.169 1.00 0.26 H new ATOM 65 P DT A 3 9.740 -8.861 -12.948 1.00 0.20 P ATOM 66 OP1 DT A 3 10.863 -8.489 -12.051 1.00 0.27 O ATOM 67 OP2 DT A 3 9.870 -10.080 -13.779 1.00 0.23 O ATOM 68 O5' DT A 3 8.422 -9.067 -12.026 1.00 0.21 O ATOM 69 C5' DT A 3 7.480 -10.167 -12.105 1.00 0.24 C ATOM 70 C4' DT A 3 6.060 -9.687 -12.458 1.00 0.22 C ATOM 71 O4' DT A 3 6.104 -8.875 -13.679 1.00 0.26 O ATOM 72 C3' DT A 3 5.385 -8.828 -11.351 1.00 0.20 C ATOM 73 O3' DT A 3 6.290 -8.099 -10.538 1.00 0.19 O ATOM 74 C2' DT A 3 4.678 -7.835 -12.343 1.00 0.21 C ATOM 75 C1' DT A 3 5.781 -7.505 -13.343 1.00 0.21 C ATOM 76 N1 DT A 3 5.433 -6.609 -14.473 1.00 0.25 N ATOM 77 C2 DT A 3 5.402 -5.267 -14.204 1.00 0.23 C ATOM 78 O2 DT A 3 5.563 -4.818 -13.086 1.00 0.24 O ATOM 79 N3 DT A 3 5.145 -4.453 -15.270 1.00 0.30 N ATOM 80 C4 DT A 3 4.906 -4.848 -16.572 1.00 0.39 C ATOM 81 O4 DT A 3 4.703 -4.018 -17.446 1.00 0.47 O ATOM 82 C5 DT A 3 4.947 -6.266 -16.756 1.00 0.42 C ATOM 83 C7 DT A 3 4.661 -6.859 -18.131 1.00 0.51 C ATOM 84 C6 DT A 3 5.203 -7.088 -15.743 1.00 0.35 C ATOM 0 H5' DT A 3 7.458 -10.694 -11.151 1.00 0.24 H new ATOM 0 H5'' DT A 3 7.818 -10.881 -12.856 1.00 0.24 H new ATOM 0 H4' DT A 3 5.468 -10.594 -12.582 1.00 0.22 H new ATOM 0 H3' DT A 3 4.797 -9.389 -10.624 1.00 0.20 H new ATOM 0 H2' DT A 3 3.817 -8.295 -12.829 1.00 0.21 H new ATOM 0 H2'' DT A 3 4.317 -6.943 -11.832 1.00 0.21 H new ATOM 0 H1' DT A 3 6.595 -6.885 -12.968 1.00 0.21 H new ATOM 0 H3 DT A 3 5.128 -3.450 -15.086 1.00 0.30 H new ATOM 0 H71 DT A 3 5.217 -7.789 -18.249 1.00 0.51 H new ATOM 0 H72 DT A 3 3.594 -7.060 -18.226 1.00 0.51 H new ATOM 0 H73 DT A 3 4.967 -6.153 -18.903 1.00 0.51 H new ATOM 0 H6 DT A 3 5.231 -8.153 -15.920 1.00 0.35 H new ATOM 97 P DT A 4 5.828 -7.134 -9.333 1.00 0.11 P ATOM 98 OP1 DT A 4 4.445 -6.662 -9.525 1.00 0.15 O ATOM 99 OP2 DT A 4 6.914 -6.169 -9.100 1.00 0.20 O ATOM 100 O5' DT A 4 5.840 -8.177 -8.122 1.00 0.15 O ATOM 101 C5' DT A 4 4.947 -9.260 -8.071 1.00 0.16 C ATOM 102 C4' DT A 4 4.993 -9.983 -6.734 1.00 0.13 C ATOM 103 O4' DT A 4 6.348 -10.504 -6.502 1.00 0.18 O ATOM 104 C3' DT A 4 4.689 -9.133 -5.481 1.00 0.16 C ATOM 105 O3' DT A 4 4.340 -10.018 -4.403 1.00 0.22 O ATOM 106 C2' DT A 4 6.125 -8.634 -5.204 1.00 0.14 C ATOM 107 C1' DT A 4 7.064 -9.853 -5.393 1.00 0.15 C ATOM 108 N1 DT A 4 8.480 -9.530 -5.731 1.00 0.16 N ATOM 109 C2 DT A 4 9.350 -9.421 -4.648 1.00 0.20 C ATOM 110 O2 DT A 4 9.019 -9.543 -3.475 1.00 0.29 O ATOM 111 N3 DT A 4 10.663 -9.127 -4.949 1.00 0.21 N ATOM 112 C4 DT A 4 11.200 -8.935 -6.189 1.00 0.17 C ATOM 113 O4 DT A 4 12.400 -8.713 -6.314 1.00 0.22 O ATOM 114 C5 DT A 4 10.252 -9.054 -7.267 1.00 0.15 C ATOM 115 C7 DT A 4 10.750 -8.829 -8.706 1.00 0.20 C ATOM 116 C6 DT A 4 8.949 -9.343 -7.022 1.00 0.14 C ATOM 0 H5' DT A 4 5.185 -9.962 -8.870 1.00 0.16 H new ATOM 0 H5'' DT A 4 3.934 -8.902 -8.253 1.00 0.16 H new ATOM 0 H4' DT A 4 4.213 -10.737 -6.835 1.00 0.13 H new ATOM 0 H3' DT A 4 3.904 -8.384 -5.586 1.00 0.16 H new ATOM 0 H2' DT A 4 6.394 -7.829 -5.888 1.00 0.14 H new ATOM 0 H2'' DT A 4 6.208 -8.235 -4.193 1.00 0.14 H new ATOM 0 H1' DT A 4 7.214 -10.443 -4.489 1.00 0.15 H new ATOM 0 H3 DT A 4 11.303 -9.044 -4.159 1.00 0.21 H new ATOM 0 H71 DT A 4 11.579 -8.122 -8.698 1.00 0.20 H new ATOM 0 H72 DT A 4 11.085 -9.777 -9.127 1.00 0.20 H new ATOM 0 H73 DT A 4 9.938 -8.429 -9.314 1.00 0.20 H new ATOM 0 H6 DT A 4 8.262 -9.429 -7.851 1.00 0.14 H new ATOM 129 P DG A 5 3.202 -9.669 -3.330 1.00 0.21 P ATOM 130 OP1 DG A 5 2.947 -10.859 -2.631 1.00 0.52 O ATOM 131 OP2 DG A 5 2.127 -8.993 -3.948 1.00 0.59 O ATOM 132 O5' DG A 5 3.915 -8.719 -2.339 1.00 0.36 O ATOM 133 C5' DG A 5 3.253 -7.920 -1.353 1.00 0.42 C ATOM 134 C4' DG A 5 3.741 -6.468 -1.426 1.00 0.35 C ATOM 135 O4' DG A 5 5.168 -6.434 -1.180 1.00 0.30 O ATOM 136 C3' DG A 5 3.507 -5.808 -2.790 1.00 0.32 C ATOM 137 O3' DG A 5 3.275 -4.408 -2.606 1.00 0.28 O ATOM 138 C2' DG A 5 4.966 -5.973 -3.291 1.00 0.27 C ATOM 139 C1' DG A 5 5.835 -5.567 -2.106 1.00 0.24 C ATOM 140 N9 DG A 5 7.241 -5.984 -2.339 1.00 0.21 N ATOM 141 C8 DG A 5 8.129 -6.538 -1.504 1.00 0.23 C ATOM 142 N7 DG A 5 9.290 -6.734 -2.028 1.00 0.22 N ATOM 143 C5 DG A 5 9.160 -6.278 -3.325 1.00 0.17 C ATOM 144 C6 DG A 5 10.092 -6.225 -4.389 1.00 0.15 C ATOM 145 O6 DG A 5 11.263 -6.563 -4.385 1.00 0.17 O ATOM 146 N1 DG A 5 9.541 -5.686 -5.548 1.00 0.12 N ATOM 147 C2 DG A 5 8.235 -5.245 -5.658 1.00 0.14 C ATOM 148 N2 DG A 5 7.836 -4.789 -6.795 1.00 0.15 N ATOM 149 N3 DG A 5 7.359 -5.284 -4.667 1.00 0.16 N ATOM 150 C4 DG A 5 7.895 -5.814 -3.526 1.00 0.15 C ATOM 0 H5' DG A 5 3.444 -8.325 -0.359 1.00 0.42 H new ATOM 0 H5'' DG A 5 2.175 -7.956 -1.510 1.00 0.42 H new ATOM 0 H4' DG A 5 3.169 -5.919 -0.678 1.00 0.35 H new ATOM 0 H3' DG A 5 2.691 -6.195 -3.400 1.00 0.32 H new ATOM 0 H2' DG A 5 5.166 -7.001 -3.594 1.00 0.27 H new ATOM 0 H2'' DG A 5 5.160 -5.342 -4.158 1.00 0.27 H new ATOM 0 H1' DG A 5 5.916 -4.512 -1.842 1.00 0.24 H new ATOM 0 H8 DG A 5 7.893 -6.797 -0.482 1.00 0.23 H new ATOM 0 H1 DG A 5 10.140 -5.611 -6.370 1.00 0.12 H new ATOM 0 H21 DG A 5 6.878 -4.457 -6.904 1.00 0.15 H new ATOM 0 H22 DG A 5 8.479 -4.760 -7.587 1.00 0.15 H new ATOM 162 P DG A 6 2.878 -3.396 -3.807 1.00 0.30 P ATOM 163 OP1 DG A 6 1.682 -3.963 -4.442 1.00 0.42 O ATOM 164 OP2 DG A 6 4.067 -3.096 -4.619 1.00 0.28 O ATOM 165 O5' DG A 6 2.430 -2.100 -2.954 1.00 0.25 O ATOM 166 C5' DG A 6 3.302 -1.117 -2.346 1.00 0.23 C ATOM 167 C4' DG A 6 4.447 -1.731 -1.529 1.00 0.16 C ATOM 168 O4' DG A 6 5.370 -2.413 -2.382 1.00 0.24 O ATOM 169 C3' DG A 6 5.296 -0.654 -0.812 1.00 0.18 C ATOM 170 O3' DG A 6 5.800 -0.981 0.485 1.00 0.31 O ATOM 171 C2' DG A 6 6.501 -0.711 -1.683 1.00 0.23 C ATOM 172 C1' DG A 6 6.711 -2.176 -2.034 1.00 0.20 C ATOM 173 N9 DG A 6 7.713 -2.348 -3.136 1.00 0.21 N ATOM 174 C8 DG A 6 7.522 -2.351 -4.497 1.00 0.19 C ATOM 175 N7 DG A 6 8.606 -2.498 -5.179 1.00 0.17 N ATOM 176 C5 DG A 6 9.609 -2.600 -4.218 1.00 0.16 C ATOM 177 C6 DG A 6 11.000 -2.765 -4.346 1.00 0.16 C ATOM 178 O6 DG A 6 11.672 -2.857 -5.350 1.00 0.16 O ATOM 179 N1 DG A 6 11.632 -2.813 -3.128 1.00 0.15 N ATOM 180 C2 DG A 6 11.015 -2.711 -1.895 1.00 0.15 C ATOM 181 N2 DG A 6 11.793 -2.721 -0.829 1.00 0.18 N ATOM 182 N3 DG A 6 9.691 -2.557 -1.745 1.00 0.17 N ATOM 183 C4 DG A 6 9.070 -2.507 -2.958 1.00 0.17 C ATOM 0 H5' DG A 6 2.710 -0.471 -1.698 1.00 0.23 H new ATOM 0 H5'' DG A 6 3.723 -0.485 -3.128 1.00 0.23 H new ATOM 0 H4' DG A 6 3.965 -2.397 -0.813 1.00 0.16 H new ATOM 0 H3' DG A 6 4.715 0.258 -0.678 1.00 0.18 H new ATOM 0 H2' DG A 6 6.358 -0.113 -2.583 1.00 0.23 H new ATOM 0 H2'' DG A 6 7.372 -0.307 -1.167 1.00 0.23 H new ATOM 0 H1' DG A 6 7.132 -2.850 -1.288 1.00 0.20 H new ATOM 0 H8 DG A 6 6.550 -2.240 -4.955 1.00 0.19 H new ATOM 0 H1 DG A 6 12.645 -2.934 -3.133 1.00 0.15 H new ATOM 0 H21 DG A 6 11.383 -2.648 0.102 1.00 0.18 H new ATOM 0 H22 DG A 6 12.804 -2.802 -0.936 1.00 0.18 H new ATOM 195 P DT A 7 5.331 -0.450 1.852 1.00 0.40 P ATOM 196 OP1 DT A 7 4.530 -1.451 2.442 1.00 0.73 O ATOM 197 OP2 DT A 7 4.781 0.850 1.612 1.00 0.67 O ATOM 198 O5' DT A 7 6.654 -0.288 2.754 1.00 0.32 O ATOM 199 C5' DT A 7 7.427 -1.381 3.217 1.00 0.22 C ATOM 200 C4' DT A 7 8.850 -1.306 2.733 1.00 0.17 C ATOM 201 O4' DT A 7 9.599 -2.529 3.115 1.00 0.22 O ATOM 202 C3' DT A 7 8.898 -1.342 1.212 1.00 0.20 C ATOM 203 O3' DT A 7 10.168 -0.910 0.708 1.00 0.24 O ATOM 204 C2' DT A 7 8.892 -2.876 1.063 1.00 0.20 C ATOM 205 C1' DT A 7 9.992 -3.336 1.970 1.00 0.23 C ATOM 206 N1 DT A 7 10.049 -4.777 2.221 1.00 0.30 N ATOM 207 C2 DT A 7 10.550 -5.593 1.246 1.00 0.30 C ATOM 208 O2 DT A 7 10.946 -5.169 0.187 1.00 0.30 O ATOM 209 N3 DT A 7 10.611 -6.946 1.519 1.00 0.39 N ATOM 210 C4 DT A 7 10.224 -7.542 2.666 1.00 0.53 C ATOM 211 O4 DT A 7 10.333 -8.755 2.816 1.00 0.64 O ATOM 212 C5 DT A 7 9.699 -6.616 3.654 1.00 0.59 C ATOM 213 C7 DT A 7 9.251 -7.128 4.997 1.00 0.81 C ATOM 214 C6 DT A 7 9.632 -5.294 3.398 1.00 0.48 C ATOM 0 H5' DT A 7 6.977 -2.314 2.878 1.00 0.22 H new ATOM 0 H5'' DT A 7 7.415 -1.399 4.307 1.00 0.22 H new ATOM 0 H4' DT A 7 9.266 -0.394 3.160 1.00 0.17 H new ATOM 0 H3' DT A 7 8.135 -0.741 0.718 1.00 0.20 H new ATOM 0 H2' DT A 7 7.931 -3.301 1.354 1.00 0.20 H new ATOM 0 H2'' DT A 7 9.074 -3.177 0.031 1.00 0.20 H new ATOM 0 H1' DT A 7 11.008 -3.207 1.598 1.00 0.23 H new ATOM 0 H3 DT A 7 10.983 -7.550 0.786 1.00 0.39 H new ATOM 0 H71 DT A 7 9.398 -6.353 5.749 1.00 0.81 H new ATOM 0 H72 DT A 7 8.195 -7.394 4.951 1.00 0.81 H new ATOM 0 H73 DT A 7 9.836 -8.008 5.264 1.00 0.81 H new ATOM 0 H6 DT A 7 9.235 -4.631 4.153 1.00 0.48 H new ATOM 227 P DG A 8 11.034 0.426 1.013 1.00 0.20 P ATOM 228 OP1 DG A 8 12.384 0.223 0.434 1.00 0.21 O ATOM 229 OP2 DG A 8 10.878 0.798 2.431 1.00 0.24 O ATOM 230 O5' DG A 8 10.351 1.593 0.120 1.00 0.21 O ATOM 231 C5' DG A 8 11.059 2.630 -0.529 1.00 0.23 C ATOM 232 C4' DG A 8 11.587 2.171 -1.924 1.00 0.20 C ATOM 233 O4' DG A 8 10.561 2.149 -2.982 1.00 0.26 O ATOM 234 C3' DG A 8 12.827 2.902 -2.531 1.00 0.17 C ATOM 235 O3' DG A 8 13.119 4.220 -2.052 1.00 0.19 O ATOM 236 C2' DG A 8 12.375 2.948 -4.063 1.00 0.21 C ATOM 237 C1' DG A 8 11.111 2.103 -4.348 1.00 0.23 C ATOM 238 N9 DG A 8 10.157 2.690 -5.329 1.00 0.24 N ATOM 239 C8 DG A 8 9.061 3.478 -5.086 1.00 0.30 C ATOM 240 N7 DG A 8 8.418 3.825 -6.153 1.00 0.33 N ATOM 241 C5 DG A 8 9.112 3.242 -7.196 1.00 0.27 C ATOM 242 C6 DG A 8 8.875 3.277 -8.602 1.00 0.28 C ATOM 243 O6 DG A 8 8.020 3.866 -9.252 1.00 0.32 O ATOM 244 N1 DG A 8 9.809 2.554 -9.293 1.00 0.24 N ATOM 245 C2 DG A 8 10.854 1.877 -8.721 1.00 0.22 C ATOM 246 N2 DG A 8 11.646 1.247 -9.553 1.00 0.27 N ATOM 247 N3 DG A 8 11.104 1.829 -7.410 1.00 0.20 N ATOM 248 C4 DG A 8 10.183 2.540 -6.708 1.00 0.22 C ATOM 0 H5' DG A 8 11.897 2.946 0.093 1.00 0.23 H new ATOM 0 H5'' DG A 8 10.408 3.496 -0.651 1.00 0.23 H new ATOM 0 H4' DG A 8 11.910 1.170 -1.639 1.00 0.20 H new ATOM 0 H3' DG A 8 13.756 2.390 -2.280 1.00 0.17 H new ATOM 0 H2' DG A 8 12.185 3.983 -4.349 1.00 0.21 H new ATOM 0 H2'' DG A 8 13.193 2.590 -4.688 1.00 0.21 H new ATOM 0 H1' DG A 8 11.308 1.131 -4.801 1.00 0.23 H new ATOM 0 H8 DG A 8 8.762 3.781 -4.093 1.00 0.30 H new ATOM 0 H1 DG A 8 9.721 2.516 -10.308 1.00 0.24 H new ATOM 0 H21 DG A 8 12.445 0.722 -9.198 1.00 0.27 H new ATOM 0 H22 DG A 8 11.464 1.282 -10.556 1.00 0.27 H new ATOM 260 P DT A 9 14.168 4.443 -0.833 1.00 0.28 P ATOM 261 OP1 DT A 9 13.732 3.599 0.277 1.00 0.45 O ATOM 262 OP2 DT A 9 14.280 5.878 -0.645 1.00 0.47 O ATOM 263 O5' DT A 9 15.652 3.928 -1.300 1.00 0.27 O ATOM 264 C5' DT A 9 16.827 3.994 -0.419 1.00 0.28 C ATOM 265 C4' DT A 9 17.980 3.043 -0.823 1.00 0.18 C ATOM 266 O4' DT A 9 17.486 1.692 -0.909 1.00 0.20 O ATOM 267 C3' DT A 9 18.629 3.330 -2.186 1.00 0.14 C ATOM 268 O3' DT A 9 20.000 2.888 -2.309 1.00 0.19 O ATOM 269 C2' DT A 9 17.638 2.520 -3.011 1.00 0.16 C ATOM 270 C1' DT A 9 17.343 1.209 -2.270 1.00 0.15 C ATOM 271 N1 DT A 9 15.956 0.688 -2.541 1.00 0.14 N ATOM 272 C2 DT A 9 15.061 0.533 -1.430 1.00 0.13 C ATOM 273 O2 DT A 9 15.313 0.739 -0.257 1.00 0.13 O ATOM 274 N3 DT A 9 13.803 0.103 -1.676 1.00 0.11 N ATOM 275 C4 DT A 9 13.344 -0.192 -2.935 1.00 0.13 C ATOM 276 O4 DT A 9 12.197 -0.548 -3.081 1.00 0.13 O ATOM 277 C5 DT A 9 14.282 -0.036 -4.015 1.00 0.12 C ATOM 278 C7 DT A 9 13.868 -0.357 -5.453 1.00 0.14 C ATOM 279 C6 DT A 9 15.527 0.384 -3.830 1.00 0.14 C ATOM 0 H5' DT A 9 16.517 3.758 0.599 1.00 0.28 H new ATOM 0 H5'' DT A 9 17.202 5.017 -0.409 1.00 0.28 H new ATOM 0 H4' DT A 9 18.731 3.197 -0.048 1.00 0.18 H new ATOM 0 H3' DT A 9 18.757 4.379 -2.452 1.00 0.14 H new ATOM 0 H2' DT A 9 16.718 3.086 -3.160 1.00 0.16 H new ATOM 0 H2'' DT A 9 18.049 2.312 -3.999 1.00 0.16 H new ATOM 0 H1' DT A 9 17.975 0.365 -2.546 1.00 0.15 H new ATOM 0 H3 DT A 9 13.165 -0.007 -0.888 1.00 0.11 H new ATOM 0 H71 DT A 9 14.429 0.274 -6.143 1.00 0.14 H new ATOM 0 H72 DT A 9 14.078 -1.405 -5.667 1.00 0.14 H new ATOM 0 H73 DT A 9 12.801 -0.169 -5.575 1.00 0.14 H new ATOM 0 H6 DT A 9 16.199 0.489 -4.669 1.00 0.14 H new ATOM 292 P DG A 10 20.692 1.428 -2.128 1.00 0.16 P ATOM 293 OP1 DG A 10 22.146 1.609 -2.361 1.00 0.24 O ATOM 294 OP2 DG A 10 19.950 0.416 -2.916 1.00 0.21 O ATOM 295 O5' DG A 10 20.465 1.086 -0.558 1.00 0.19 O ATOM 296 C5' DG A 10 20.725 -0.232 -0.052 1.00 0.24 C ATOM 297 C4' DG A 10 19.942 -0.598 1.217 1.00 0.22 C ATOM 298 O4' DG A 10 18.501 -0.483 0.989 1.00 0.18 O ATOM 299 C3' DG A 10 20.260 -2.077 1.540 1.00 0.23 C ATOM 300 O3' DG A 10 20.318 -2.559 2.880 1.00 0.18 O ATOM 301 C2' DG A 10 18.880 -2.630 1.023 1.00 0.21 C ATOM 302 C1' DG A 10 17.771 -1.655 1.409 1.00 0.17 C ATOM 303 N9 DG A 10 16.574 -1.986 0.596 1.00 0.14 N ATOM 304 C8 DG A 10 15.287 -2.306 0.927 1.00 0.17 C ATOM 305 N7 DG A 10 14.519 -2.608 -0.091 1.00 0.16 N ATOM 306 C5 DG A 10 15.371 -2.479 -1.168 1.00 0.14 C ATOM 307 C6 DG A 10 15.153 -2.667 -2.556 1.00 0.15 C ATOM 308 O6 DG A 10 14.150 -3.033 -3.158 1.00 0.16 O ATOM 309 N1 DG A 10 16.281 -2.424 -3.298 1.00 0.15 N ATOM 310 C2 DG A 10 17.490 -2.044 -2.789 1.00 0.16 C ATOM 311 N2 DG A 10 18.482 -1.807 -3.603 1.00 0.22 N ATOM 312 N3 DG A 10 17.707 -1.869 -1.507 1.00 0.16 N ATOM 313 C4 DG A 10 16.610 -2.101 -0.756 1.00 0.13 C ATOM 0 H5' DG A 10 21.791 -0.323 0.156 1.00 0.24 H new ATOM 0 H5'' DG A 10 20.489 -0.958 -0.830 1.00 0.24 H new ATOM 0 H4' DG A 10 20.224 0.073 2.029 1.00 0.22 H new ATOM 0 H3' DG A 10 21.249 -2.330 1.157 1.00 0.23 H new ATOM 0 H2' DG A 10 18.908 -2.757 -0.059 1.00 0.21 H new ATOM 0 H2'' DG A 10 18.684 -3.612 1.454 1.00 0.21 H new ATOM 0 H1' DG A 10 17.375 -1.609 2.424 1.00 0.17 H new ATOM 0 H8 DG A 10 14.931 -2.310 1.947 1.00 0.17 H new ATOM 0 H1 DG A 10 16.211 -2.536 -4.309 1.00 0.15 H new ATOM 0 H21 DG A 10 19.389 -1.523 -3.233 1.00 0.22 H new ATOM 0 H22 DG A 10 18.350 -1.906 -4.610 1.00 0.22 H new ATOM 325 P DG A 11 20.667 -4.151 3.113 1.00 0.16 P ATOM 326 OP1 DG A 11 21.095 -4.394 4.511 1.00 0.21 O ATOM 327 OP2 DG A 11 21.503 -4.649 2.007 1.00 0.25 O ATOM 328 O5' DG A 11 19.253 -4.889 3.009 1.00 0.17 O ATOM 329 C5' DG A 11 18.134 -4.471 3.797 1.00 0.16 C ATOM 330 C4' DG A 11 16.839 -5.013 3.196 1.00 0.16 C ATOM 331 O4' DG A 11 16.771 -4.557 1.806 1.00 0.18 O ATOM 332 C3' DG A 11 16.793 -6.525 3.241 1.00 0.16 C ATOM 333 O3' DG A 11 15.658 -7.057 3.904 1.00 0.20 O ATOM 334 C2' DG A 11 16.704 -6.795 1.753 1.00 0.20 C ATOM 335 C1' DG A 11 16.100 -5.602 1.100 1.00 0.16 C ATOM 336 N9 DG A 11 16.311 -5.569 -0.376 1.00 0.13 N ATOM 337 C8 DG A 11 17.452 -5.461 -1.133 1.00 0.18 C ATOM 338 N7 DG A 11 17.238 -5.499 -2.417 1.00 0.19 N ATOM 339 C5 DG A 11 15.857 -5.641 -2.517 1.00 0.14 C ATOM 340 C6 DG A 11 15.035 -5.741 -3.651 1.00 0.15 C ATOM 341 O6 DG A 11 15.351 -5.720 -4.828 1.00 0.22 O ATOM 342 N1 DG A 11 13.722 -5.872 -3.330 1.00 0.13 N ATOM 343 C2 DG A 11 13.255 -5.897 -2.045 1.00 0.11 C ATOM 344 N2 DG A 11 11.971 -5.999 -1.933 1.00 0.17 N ATOM 345 N3 DG A 11 13.985 -5.808 -0.941 1.00 0.09 N ATOM 346 C4 DG A 11 15.288 -5.682 -1.276 1.00 0.11 C ATOM 0 H5' DG A 11 18.096 -3.383 3.841 1.00 0.16 H new ATOM 0 H5'' DG A 11 18.246 -4.828 4.821 1.00 0.16 H new ATOM 0 H4' DG A 11 15.991 -4.647 3.774 1.00 0.16 H new ATOM 0 H3' DG A 11 17.624 -6.972 3.787 1.00 0.16 H new ATOM 0 H2' DG A 11 17.694 -6.993 1.343 1.00 0.20 H new ATOM 0 H2'' DG A 11 16.098 -7.680 1.563 1.00 0.20 H new ATOM 0 H1' DG A 11 15.013 -5.551 1.161 1.00 0.16 H new ATOM 0 H8 DG A 11 18.437 -5.354 -0.703 1.00 0.18 H new ATOM 0 H1 DG A 11 13.047 -5.956 -4.090 1.00 0.13 H new ATOM 0 H21 DG A 11 11.540 -6.025 -1.009 1.00 0.17 H new ATOM 0 H22 DG A 11 11.389 -6.054 -2.769 1.00 0.17 H new ATOM 358 P DT A 12 15.886 -8.048 5.154 1.00 0.35 P ATOM 359 OP1 DT A 12 14.677 -8.879 5.216 1.00 0.51 O ATOM 360 OP2 DT A 12 16.277 -7.203 6.269 1.00 0.50 O ATOM 361 O5' DT A 12 17.146 -8.942 4.761 1.00 0.30 O ATOM 362 C5' DT A 12 17.195 -10.076 3.908 1.00 0.32 C ATOM 363 C4' DT A 12 18.649 -10.475 3.485 1.00 0.33 C ATOM 364 O4' DT A 12 19.572 -10.807 4.549 1.00 0.33 O ATOM 365 C3' DT A 12 19.361 -9.395 2.627 1.00 0.29 C ATOM 366 O3' DT A 12 19.026 -9.527 1.251 1.00 0.30 O ATOM 367 C2' DT A 12 20.824 -9.761 2.854 1.00 0.34 C ATOM 368 C1' DT A 12 20.760 -9.994 4.394 1.00 0.32 C ATOM 369 N1 DT A 12 20.414 -8.754 5.178 1.00 0.21 N ATOM 370 C2 DT A 12 20.857 -7.509 4.750 1.00 0.19 C ATOM 371 O2 DT A 12 21.523 -7.324 3.741 1.00 0.24 O ATOM 372 N3 DT A 12 20.501 -6.416 5.532 1.00 0.21 N ATOM 373 C4 DT A 12 19.755 -6.458 6.686 1.00 0.23 C ATOM 374 O4 DT A 12 19.522 -5.430 7.296 1.00 0.30 O ATOM 375 C5 DT A 12 19.331 -7.772 7.066 1.00 0.25 C ATOM 376 C7 DT A 12 18.497 -7.869 8.359 1.00 0.40 C ATOM 377 C6 DT A 12 19.647 -8.865 6.347 1.00 0.26 C ATOM 0 H5' DT A 12 16.607 -9.873 3.013 1.00 0.32 H new ATOM 0 H5'' DT A 12 16.727 -10.921 4.412 1.00 0.32 H new ATOM 0 H4' DT A 12 18.438 -11.381 2.917 1.00 0.33 H new ATOM 0 H3' DT A 12 19.097 -8.371 2.892 1.00 0.29 H new ATOM 0 H2' DT A 12 21.129 -10.650 2.303 1.00 0.34 H new ATOM 0 H2'' DT A 12 21.510 -8.961 2.574 1.00 0.34 H new ATOM 0 H1' DT A 12 21.718 -10.384 4.737 1.00 0.32 H new ATOM 0 H3 DT A 12 20.823 -5.499 5.221 1.00 0.21 H new ATOM 0 H71 DT A 12 17.812 -8.714 8.288 1.00 0.40 H new ATOM 0 H72 DT A 12 19.162 -8.012 9.211 1.00 0.40 H new ATOM 0 H73 DT A 12 17.927 -6.950 8.494 1.00 0.40 H new ATOM 0 H6 DT A 12 19.307 -9.837 6.673 1.00 0.26 H new ATOM 390 P DT A 13 19.251 -8.427 0.109 1.00 0.28 P ATOM 391 OP1 DT A 13 19.490 -7.143 0.781 1.00 0.27 O ATOM 392 OP2 DT A 13 18.105 -8.488 -0.803 1.00 0.34 O ATOM 393 O5' DT A 13 20.545 -8.884 -0.680 1.00 0.35 O ATOM 394 C5' DT A 13 20.712 -10.196 -1.227 1.00 0.33 C ATOM 395 C4' DT A 13 19.983 -10.547 -2.529 1.00 0.23 C ATOM 396 O4' DT A 13 18.545 -10.662 -2.424 1.00 0.24 O ATOM 397 C3' DT A 13 20.301 -9.582 -3.679 1.00 0.24 C ATOM 398 O3' DT A 13 20.589 -10.281 -4.896 1.00 0.19 O ATOM 399 C2' DT A 13 18.894 -9.009 -3.826 1.00 0.26 C ATOM 400 C1' DT A 13 17.918 -10.172 -3.615 1.00 0.19 C ATOM 401 N1 DT A 13 16.488 -9.782 -3.444 1.00 0.19 N ATOM 402 C2 DT A 13 15.749 -9.489 -4.588 1.00 0.21 C ATOM 403 O2 DT A 13 16.213 -9.564 -5.715 1.00 0.30 O ATOM 404 N3 DT A 13 14.431 -9.119 -4.394 1.00 0.20 N ATOM 405 C4 DT A 13 13.802 -9.022 -3.166 1.00 0.18 C ATOM 406 O4 DT A 13 12.638 -8.664 -3.121 1.00 0.22 O ATOM 407 C5 DT A 13 14.642 -9.347 -2.031 1.00 0.20 C ATOM 408 C7 DT A 13 14.096 -9.310 -0.592 1.00 0.33 C ATOM 409 C6 DT A 13 15.920 -9.708 -2.194 1.00 0.20 C ATOM 0 H5' DT A 13 20.398 -10.913 -0.468 1.00 0.33 H new ATOM 0 H5'' DT A 13 21.778 -10.352 -1.392 1.00 0.33 H new ATOM 0 H4' DT A 13 20.380 -11.538 -2.749 1.00 0.23 H new ATOM 0 H3' DT A 13 21.141 -8.911 -3.501 1.00 0.24 H new ATOM 0 H2' DT A 13 18.719 -8.220 -3.094 1.00 0.26 H new ATOM 0 H2'' DT A 13 18.759 -8.565 -4.812 1.00 0.26 H new ATOM 0 H1' DT A 13 17.799 -10.868 -4.445 1.00 0.19 H new ATOM 0 H3 DT A 13 13.878 -8.900 -5.223 1.00 0.20 H new ATOM 0 H71 DT A 13 13.307 -8.561 -0.521 1.00 0.33 H new ATOM 0 H72 DT A 13 13.692 -10.288 -0.331 1.00 0.33 H new ATOM 0 H73 DT A 13 14.902 -9.055 0.096 1.00 0.33 H new ATOM 0 H6 DT A 13 16.517 -9.946 -1.326 1.00 0.20 H new ATOM 422 P DG A 14 22.085 -10.664 -5.339 1.00 0.21 P ATOM 423 OP1 DG A 14 22.084 -11.964 -5.995 1.00 0.37 O ATOM 424 OP2 DG A 14 22.922 -10.442 -4.185 1.00 0.48 O ATOM 425 O5' DG A 14 22.421 -9.577 -6.404 1.00 0.30 O ATOM 426 C5' DG A 14 23.335 -9.830 -7.481 1.00 0.31 C ATOM 427 C4' DG A 14 23.404 -8.709 -8.510 1.00 0.24 C ATOM 428 O4' DG A 14 22.087 -8.344 -9.019 1.00 0.21 O ATOM 429 C3' DG A 14 23.988 -7.459 -7.847 1.00 0.25 C ATOM 430 O3' DG A 14 24.630 -6.675 -8.885 1.00 0.26 O ATOM 431 C2' DG A 14 22.593 -6.847 -7.456 1.00 0.22 C ATOM 432 C1' DG A 14 21.846 -6.950 -8.767 1.00 0.21 C ATOM 433 N9 DG A 14 20.381 -6.660 -8.672 1.00 0.16 N ATOM 434 C8 DG A 14 19.439 -6.619 -9.697 1.00 0.17 C ATOM 435 N7 DG A 14 18.222 -6.343 -9.310 1.00 0.19 N ATOM 436 C5 DG A 14 18.381 -6.189 -7.925 1.00 0.16 C ATOM 437 C6 DG A 14 17.415 -5.885 -6.957 1.00 0.18 C ATOM 438 O6 DG A 14 16.241 -5.673 -7.165 1.00 0.20 O ATOM 439 N1 DG A 14 17.932 -5.812 -5.685 1.00 0.17 N ATOM 440 C2 DG A 14 19.242 -6.012 -5.362 1.00 0.16 C ATOM 441 N2 DG A 14 19.537 -5.895 -4.098 1.00 0.19 N ATOM 442 N3 DG A 14 20.175 -6.302 -6.252 1.00 0.16 N ATOM 443 C4 DG A 14 19.684 -6.379 -7.520 1.00 0.14 C ATOM 0 H5' DG A 14 23.043 -10.753 -7.983 1.00 0.31 H new ATOM 0 H5'' DG A 14 24.331 -9.993 -7.069 1.00 0.31 H new ATOM 0 H4' DG A 14 24.019 -9.068 -9.335 1.00 0.24 H new ATOM 0 H3' DG A 14 24.722 -7.559 -7.047 1.00 0.25 H new ATOM 0 H2' DG A 14 22.106 -7.410 -6.660 1.00 0.22 H new ATOM 0 H2'' DG A 14 22.678 -5.816 -7.111 1.00 0.22 H new ATOM 0 H1' DG A 14 22.165 -6.237 -9.527 1.00 0.21 H new ATOM 0 H8 DG A 14 19.694 -6.801 -10.730 1.00 0.17 H new ATOM 0 H1 DG A 14 17.287 -5.592 -4.926 1.00 0.17 H new ATOM 0 H21 DG A 14 20.498 -6.031 -3.784 1.00 0.19 H new ATOM 0 H22 DG A 14 18.807 -5.667 -3.423 1.00 0.19 H new ATOM 455 P DG A 15 25.361 -5.254 -8.575 1.00 0.29 P ATOM 456 OP1 DG A 15 26.592 -5.135 -9.376 1.00 0.36 O ATOM 457 OP2 DG A 15 25.425 -5.092 -7.111 1.00 0.33 O ATOM 458 O5' DG A 15 24.302 -4.219 -9.167 1.00 0.27 O ATOM 459 C5' DG A 15 23.892 -4.291 -10.545 1.00 0.28 C ATOM 460 C4' DG A 15 22.684 -3.421 -10.892 1.00 0.27 C ATOM 461 O4' DG A 15 21.558 -3.719 -9.992 1.00 0.25 O ATOM 462 C3' DG A 15 22.984 -1.928 -10.707 1.00 0.27 C ATOM 463 O3' DG A 15 22.063 -1.109 -11.417 1.00 0.29 O ATOM 464 C2' DG A 15 22.639 -1.874 -9.219 1.00 0.25 C ATOM 465 C1' DG A 15 21.285 -2.562 -9.163 1.00 0.26 C ATOM 466 N9 DG A 15 20.402 -2.750 -7.975 1.00 0.20 N ATOM 467 C8 DG A 15 20.588 -2.993 -6.618 1.00 0.21 C ATOM 468 N7 DG A 15 19.468 -3.073 -5.960 1.00 0.22 N ATOM 469 C5 DG A 15 18.479 -2.874 -6.908 1.00 0.19 C ATOM 470 C6 DG A 15 17.077 -2.852 -6.769 1.00 0.20 C ATOM 471 O6 DG A 15 16.407 -3.030 -5.767 1.00 0.22 O ATOM 472 N1 DG A 15 16.451 -2.620 -7.961 1.00 0.19 N ATOM 473 C2 DG A 15 17.098 -2.434 -9.160 1.00 0.17 C ATOM 474 N2 DG A 15 16.398 -2.257 -10.261 1.00 0.22 N ATOM 475 N3 DG A 15 18.409 -2.449 -9.307 1.00 0.17 N ATOM 476 C4 DG A 15 19.039 -2.678 -8.135 1.00 0.17 C ATOM 0 H5' DG A 15 23.659 -5.328 -10.788 1.00 0.28 H new ATOM 0 H5'' DG A 15 24.730 -3.996 -11.176 1.00 0.28 H new ATOM 0 H4' DG A 15 22.444 -3.640 -11.933 1.00 0.27 H new ATOM 0 H3' DG A 15 23.969 -1.594 -11.033 1.00 0.27 H new ATOM 0 H2' DG A 15 23.382 -2.392 -8.612 1.00 0.25 H new ATOM 0 H2'' DG A 15 22.587 -0.849 -8.853 1.00 0.25 H new ATOM 0 HO3' DG A 15 22.286 -0.166 -11.273 1.00 0.29 H new ATOM 0 H1' DG A 15 20.530 -1.831 -9.453 1.00 0.26 H new ATOM 0 H8 DG A 15 21.559 -3.104 -6.159 1.00 0.21 H new ATOM 0 H1 DG A 15 15.432 -2.582 -7.962 1.00 0.19 H new ATOM 0 H21 DG A 15 16.875 -2.119 -11.152 1.00 0.22 H new ATOM 0 H22 DG A 15 15.379 -2.258 -10.223 1.00 0.22 H new TER 489 DG A 15