USER MOD reduce.3.24.130724 H: found=0, std=0, add=249, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 274 hydrogens (25 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 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT O5' : rot -75:sc= 1.21 USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 19 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 23 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 25 DA O3' : rot -56:sc= 0.00835 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 4 6.107 -9.302 -11.877 1.00 1.39 O ATOM 2 C5' DT A 4 6.540 -10.301 -10.950 1.00 0.99 C ATOM 3 C4' DT A 4 8.037 -10.257 -10.743 1.00 0.70 C ATOM 4 O4' DT A 4 8.362 -10.925 -9.497 1.00 0.54 O ATOM 5 C3' DT A 4 8.857 -10.963 -11.826 1.00 0.54 C ATOM 6 O3' DT A 4 10.070 -10.244 -12.078 1.00 0.57 O ATOM 7 C2' DT A 4 9.157 -12.319 -11.215 1.00 0.47 C ATOM 8 C1' DT A 4 9.262 -11.996 -9.735 1.00 0.40 C ATOM 9 N1 DT A 4 8.894 -13.109 -8.837 1.00 0.40 N ATOM 10 C2 DT A 4 7.583 -13.533 -8.826 1.00 0.65 C ATOM 11 O2 DT A 4 6.714 -13.033 -9.522 1.00 0.82 O ATOM 12 N3 DT A 4 7.324 -14.568 -7.964 1.00 0.77 N ATOM 13 C4 DT A 4 8.223 -15.206 -7.134 1.00 0.65 C ATOM 14 O4 DT A 4 7.842 -16.124 -6.412 1.00 0.82 O ATOM 15 C5 DT A 4 9.580 -14.711 -7.197 1.00 0.48 C ATOM 16 C7 DT A 4 10.621 -15.345 -6.327 1.00 0.64 C ATOM 17 C6 DT A 4 9.849 -13.699 -8.035 1.00 0.41 C ATOM 0 H5' DT A 4 6.251 -11.287 -11.315 1.00 0.99 H new ATOM 0 H5'' DT A 4 6.036 -10.155 -9.995 1.00 0.99 H new ATOM 0 H4' DT A 4 8.294 -9.198 -10.759 1.00 0.70 H new ATOM 0 H3' DT A 4 8.337 -11.034 -12.781 1.00 0.54 H new ATOM 0 H2' DT A 4 8.365 -13.040 -11.418 1.00 0.47 H new ATOM 0 H2'' DT A 4 10.082 -12.744 -11.604 1.00 0.47 H new ATOM 0 HO5' DT A 4 6.127 -8.423 -11.444 1.00 1.39 H new ATOM 0 H1' DT A 4 10.305 -11.764 -9.517 1.00 0.40 H new ATOM 0 H3 DT A 4 6.361 -14.903 -7.933 1.00 0.77 H new ATOM 0 H71 DT A 4 11.593 -15.281 -6.817 1.00 0.64 H new ATOM 0 H72 DT A 4 10.662 -14.824 -5.370 1.00 0.64 H new ATOM 0 H73 DT A 4 10.367 -16.392 -6.159 1.00 0.64 H new ATOM 0 H6 DT A 4 10.862 -13.328 -8.084 1.00 0.41 H new ATOM 31 P DG A 5 10.619 -10.107 -13.583 1.00 0.85 P ATOM 32 OP1 DG A 5 9.514 -9.561 -14.412 1.00 1.10 O ATOM 33 OP2 DG A 5 11.257 -11.392 -13.965 1.00 1.37 O ATOM 34 O5' DG A 5 11.756 -8.995 -13.478 1.00 0.67 O ATOM 35 C5' DG A 5 11.431 -7.605 -13.500 1.00 0.54 C ATOM 36 C4' DG A 5 12.670 -6.776 -13.252 1.00 0.48 C ATOM 37 O4' DG A 5 13.328 -7.254 -12.051 1.00 0.57 O ATOM 38 C3' DG A 5 13.723 -6.847 -14.360 1.00 0.55 C ATOM 39 O3' DG A 5 14.399 -5.591 -14.488 1.00 0.50 O ATOM 40 C2' DG A 5 14.676 -7.918 -13.864 1.00 0.78 C ATOM 41 C1' DG A 5 14.635 -7.718 -12.359 1.00 0.75 C ATOM 42 N9 DG A 5 14.877 -8.933 -11.583 1.00 0.97 N ATOM 43 C8 DG A 5 13.936 -9.810 -11.100 1.00 1.06 C ATOM 44 N7 DG A 5 14.453 -10.809 -10.440 1.00 1.28 N ATOM 45 C5 DG A 5 15.822 -10.580 -10.490 1.00 1.38 C ATOM 46 C6 DG A 5 16.898 -11.329 -9.948 1.00 1.68 C ATOM 47 O6 DG A 5 16.852 -12.379 -9.296 1.00 1.84 O ATOM 48 N1 DG A 5 18.132 -10.744 -10.229 1.00 1.87 N ATOM 49 C2 DG A 5 18.295 -9.581 -10.945 1.00 1.78 C ATOM 50 N2 DG A 5 19.560 -9.168 -11.116 1.00 2.10 N ATOM 51 N3 DG A 5 17.300 -8.874 -11.454 1.00 1.47 N ATOM 52 C4 DG A 5 16.100 -9.427 -11.191 1.00 1.26 C ATOM 0 H5' DG A 5 10.681 -7.387 -12.740 1.00 0.54 H new ATOM 0 H5'' DG A 5 10.995 -7.341 -14.463 1.00 0.54 H new ATOM 0 H4' DG A 5 12.312 -5.749 -13.185 1.00 0.48 H new ATOM 0 H3' DG A 5 13.303 -7.069 -15.341 1.00 0.55 H new ATOM 0 H2' DG A 5 14.349 -8.918 -14.150 1.00 0.78 H new ATOM 0 H2'' DG A 5 15.681 -7.785 -14.264 1.00 0.78 H new ATOM 0 H1' DG A 5 15.431 -7.022 -12.093 1.00 0.75 H new ATOM 0 H8 DG A 5 12.874 -9.685 -11.252 1.00 1.06 H new ATOM 0 H1 DG A 5 18.970 -11.210 -9.880 1.00 1.87 H new ATOM 0 H21 DG A 5 19.751 -8.313 -11.638 1.00 2.10 H new ATOM 0 H22 DG A 5 20.331 -9.709 -10.724 1.00 2.10 H new ATOM 64 P DA A 6 13.931 -4.539 -15.611 1.00 0.37 P ATOM 65 OP1 DA A 6 13.670 -5.303 -16.857 1.00 0.31 O ATOM 66 OP2 DA A 6 14.902 -3.415 -15.630 1.00 0.55 O ATOM 67 O5' DA A 6 12.538 -3.987 -15.068 1.00 0.45 O ATOM 68 C5' DA A 6 12.488 -3.033 -14.007 1.00 0.36 C ATOM 69 C4' DA A 6 11.074 -2.537 -13.818 1.00 0.39 C ATOM 70 O4' DA A 6 10.200 -3.661 -13.586 1.00 0.39 O ATOM 71 C3' DA A 6 10.866 -1.628 -12.615 1.00 0.47 C ATOM 72 O3' DA A 6 11.111 -0.264 -12.976 1.00 0.66 O ATOM 73 C2' DA A 6 9.400 -1.842 -12.275 1.00 0.36 C ATOM 74 C1' DA A 6 9.125 -3.272 -12.739 1.00 0.38 C ATOM 75 N9 DA A 6 9.034 -4.250 -11.653 1.00 0.46 N ATOM 76 C8 DA A 6 9.998 -4.573 -10.729 1.00 0.56 C ATOM 77 N7 DA A 6 9.623 -5.493 -9.874 1.00 0.65 N ATOM 78 C5 DA A 6 8.325 -5.798 -10.260 1.00 0.62 C ATOM 79 C6 DA A 6 7.375 -6.702 -9.753 1.00 0.72 C ATOM 80 N6 DA A 6 7.596 -7.498 -8.703 1.00 0.83 N ATOM 81 N1 DA A 6 6.175 -6.762 -10.369 1.00 0.73 N ATOM 82 C2 DA A 6 5.953 -5.965 -11.421 1.00 0.66 C ATOM 83 N3 DA A 6 6.765 -5.077 -11.989 1.00 0.55 N ATOM 84 C4 DA A 6 7.949 -5.041 -11.354 1.00 0.52 C ATOM 0 H5' DA A 6 13.148 -2.195 -14.230 1.00 0.36 H new ATOM 0 H5'' DA A 6 12.849 -3.486 -13.084 1.00 0.36 H new ATOM 0 H4' DA A 6 10.861 -1.975 -14.727 1.00 0.39 H new ATOM 0 H3' DA A 6 11.534 -1.846 -11.782 1.00 0.47 H new ATOM 0 H2' DA A 6 9.216 -1.725 -11.207 1.00 0.36 H new ATOM 0 H2'' DA A 6 8.761 -1.124 -12.789 1.00 0.36 H new ATOM 0 H1' DA A 6 8.156 -3.266 -13.238 1.00 0.38 H new ATOM 0 H8 DA A 6 10.974 -4.112 -10.709 1.00 0.56 H new ATOM 0 H61 DA A 6 6.866 -8.134 -8.382 1.00 0.83 H new ATOM 0 H62 DA A 6 8.495 -7.470 -8.222 1.00 0.83 H new ATOM 0 H2 DA A 6 4.976 -6.055 -11.873 1.00 0.66 H new ATOM 96 P DG A 7 10.784 0.914 -11.931 1.00 0.79 P ATOM 97 OP1 DG A 7 11.682 2.053 -12.251 1.00 1.06 O ATOM 98 OP2 DG A 7 10.787 0.341 -10.561 1.00 0.84 O ATOM 99 O5' DG A 7 9.293 1.344 -12.291 1.00 0.90 O ATOM 100 C5' DG A 7 8.650 2.415 -11.602 1.00 0.60 C ATOM 101 C4' DG A 7 7.150 2.232 -11.638 1.00 0.54 C ATOM 102 O4' DG A 7 6.832 0.857 -11.302 1.00 0.52 O ATOM 103 C3' DG A 7 6.373 3.090 -10.639 1.00 0.62 C ATOM 104 O3' DG A 7 5.092 3.443 -11.175 1.00 0.74 O ATOM 105 C2' DG A 7 6.220 2.170 -9.445 1.00 0.60 C ATOM 106 C1' DG A 7 6.069 0.810 -10.104 1.00 0.53 C ATOM 107 N9 DG A 7 6.558 -0.307 -9.300 1.00 0.46 N ATOM 108 C8 DG A 7 7.860 -0.569 -8.952 1.00 0.43 C ATOM 109 N7 DG A 7 7.993 -1.641 -8.220 1.00 0.43 N ATOM 110 C5 DG A 7 6.696 -2.117 -8.076 1.00 0.45 C ATOM 111 C6 DG A 7 6.208 -3.254 -7.384 1.00 0.50 C ATOM 112 O6 DG A 7 6.849 -4.090 -6.737 1.00 0.52 O ATOM 113 N1 DG A 7 4.823 -3.374 -7.490 1.00 0.53 N ATOM 114 C2 DG A 7 4.018 -2.497 -8.181 1.00 0.55 C ATOM 115 N2 DG A 7 2.703 -2.765 -8.173 1.00 0.62 N ATOM 116 N3 DG A 7 4.462 -1.433 -8.830 1.00 0.54 N ATOM 117 C4 DG A 7 5.800 -1.306 -8.736 1.00 0.48 C ATOM 0 H5' DG A 7 8.919 3.366 -12.061 1.00 0.60 H new ATOM 0 H5'' DG A 7 8.995 2.451 -10.569 1.00 0.60 H new ATOM 0 H4' DG A 7 6.856 2.526 -12.646 1.00 0.54 H new ATOM 0 H3' DG A 7 6.869 4.029 -10.395 1.00 0.62 H new ATOM 0 H2' DG A 7 7.088 2.209 -8.787 1.00 0.60 H new ATOM 0 H2'' DG A 7 5.350 2.428 -8.841 1.00 0.60 H new ATOM 0 H1' DG A 7 5.005 0.631 -10.259 1.00 0.53 H new ATOM 0 H8 DG A 7 8.691 0.051 -9.254 1.00 0.43 H new ATOM 0 H1 DG A 7 4.377 -4.164 -7.025 1.00 0.53 H new ATOM 0 H21 DG A 7 2.055 -2.152 -8.667 1.00 0.62 H new ATOM 0 H22 DG A 7 2.352 -3.582 -7.673 1.00 0.62 H new ATOM 129 P DG A 8 4.100 4.389 -10.331 1.00 0.84 P ATOM 130 OP1 DG A 8 3.457 5.324 -11.289 1.00 1.04 O ATOM 131 OP2 DG A 8 4.847 4.932 -9.168 1.00 1.03 O ATOM 132 O5' DG A 8 2.983 3.390 -9.786 1.00 0.75 O ATOM 133 C5' DG A 8 2.005 2.830 -10.664 1.00 0.70 C ATOM 134 C4' DG A 8 0.871 2.225 -9.868 1.00 0.57 C ATOM 135 O4' DG A 8 1.380 1.114 -9.084 1.00 0.55 O ATOM 136 C3' DG A 8 0.204 3.176 -8.868 1.00 0.43 C ATOM 137 O3' DG A 8 -1.210 2.946 -8.830 1.00 0.40 O ATOM 138 C2' DG A 8 0.843 2.798 -7.544 1.00 0.53 C ATOM 139 C1' DG A 8 1.073 1.309 -7.713 1.00 0.50 C ATOM 140 N9 DG A 8 2.177 0.773 -6.920 1.00 0.49 N ATOM 141 C8 DG A 8 3.479 1.206 -6.915 1.00 0.53 C ATOM 142 N7 DG A 8 4.244 0.532 -6.102 1.00 0.57 N ATOM 143 C5 DG A 8 3.394 -0.406 -5.534 1.00 0.53 C ATOM 144 C6 DG A 8 3.656 -1.416 -4.575 1.00 0.58 C ATOM 145 O6 DG A 8 4.729 -1.688 -4.024 1.00 0.66 O ATOM 146 N1 DG A 8 2.513 -2.153 -4.268 1.00 0.57 N ATOM 147 C2 DG A 8 1.274 -1.931 -4.826 1.00 0.54 C ATOM 148 N2 DG A 8 0.284 -2.738 -4.414 1.00 0.60 N ATOM 149 N3 DG A 8 1.019 -0.991 -5.722 1.00 0.50 N ATOM 150 C4 DG A 8 2.116 -0.272 -6.027 1.00 0.49 C ATOM 0 H5' DG A 8 2.465 2.067 -11.292 1.00 0.70 H new ATOM 0 H5'' DG A 8 1.620 3.602 -11.330 1.00 0.70 H new ATOM 0 H4' DG A 8 0.127 1.940 -10.612 1.00 0.57 H new ATOM 0 H3' DG A 8 0.337 4.228 -9.120 1.00 0.43 H new ATOM 0 H2' DG A 8 1.775 3.337 -7.373 1.00 0.53 H new ATOM 0 H2'' DG A 8 0.189 3.016 -6.699 1.00 0.53 H new ATOM 0 H1' DG A 8 0.178 0.788 -7.372 1.00 0.50 H new ATOM 0 H8 DG A 8 3.835 2.024 -7.524 1.00 0.53 H new ATOM 0 H1 DG A 8 2.600 -2.906 -3.585 1.00 0.57 H new ATOM 0 H21 DG A 8 -0.657 -2.624 -4.790 1.00 0.60 H new ATOM 0 H22 DG A 8 0.473 -3.466 -3.724 1.00 0.60 H new ATOM 162 P DG A 9 -2.145 3.843 -7.877 1.00 0.49 P ATOM 163 OP1 DG A 9 -3.481 3.929 -8.519 1.00 0.76 O ATOM 164 OP2 DG A 9 -1.411 5.090 -7.541 1.00 0.69 O ATOM 165 O5' DG A 9 -2.289 2.974 -6.548 1.00 0.44 O ATOM 166 C5' DG A 9 -2.881 1.675 -6.580 1.00 0.52 C ATOM 167 C4' DG A 9 -3.330 1.268 -5.195 1.00 0.44 C ATOM 168 O4' DG A 9 -2.215 0.656 -4.496 1.00 0.43 O ATOM 169 C3' DG A 9 -3.806 2.423 -4.303 1.00 0.45 C ATOM 170 O3' DG A 9 -4.958 2.031 -3.547 1.00 0.46 O ATOM 171 C2' DG A 9 -2.626 2.670 -3.380 1.00 0.44 C ATOM 172 C1' DG A 9 -2.041 1.278 -3.236 1.00 0.38 C ATOM 173 N9 DG A 9 -0.617 1.243 -2.905 1.00 0.40 N ATOM 174 C8 DG A 9 0.378 2.031 -3.430 1.00 0.44 C ATOM 175 N7 DG A 9 1.558 1.765 -2.941 1.00 0.47 N ATOM 176 C5 DG A 9 1.329 0.737 -2.036 1.00 0.45 C ATOM 177 C6 DG A 9 2.232 0.035 -1.200 1.00 0.50 C ATOM 178 O6 DG A 9 3.453 0.191 -1.093 1.00 0.56 O ATOM 179 N1 DG A 9 1.588 -0.935 -0.434 1.00 0.49 N ATOM 180 C2 DG A 9 0.236 -1.187 -0.478 1.00 0.45 C ATOM 181 N2 DG A 9 -0.212 -2.160 0.331 1.00 0.48 N ATOM 182 N3 DG A 9 -0.617 -0.538 -1.255 1.00 0.40 N ATOM 183 C4 DG A 9 -0.007 0.403 -2.001 1.00 0.40 C ATOM 0 H5' DG A 9 -2.163 0.950 -6.964 1.00 0.52 H new ATOM 0 H5'' DG A 9 -3.732 1.673 -7.261 1.00 0.52 H new ATOM 0 H4' DG A 9 -4.174 0.598 -5.359 1.00 0.44 H new ATOM 0 H3' DG A 9 -4.096 3.307 -4.871 1.00 0.45 H new ATOM 0 H2' DG A 9 -1.911 3.371 -3.811 1.00 0.44 H new ATOM 0 H2'' DG A 9 -2.938 3.083 -2.421 1.00 0.44 H new ATOM 0 H1' DG A 9 -2.548 0.782 -2.409 1.00 0.38 H new ATOM 0 H8 DG A 9 0.201 2.794 -4.173 1.00 0.44 H new ATOM 0 H1 DG A 9 2.156 -1.495 0.201 1.00 0.49 H new ATOM 0 H21 DG A 9 -1.204 -2.395 0.345 1.00 0.48 H new ATOM 0 H22 DG A 9 0.440 -2.664 0.932 1.00 0.48 H new ATOM 195 P DT A 10 -6.355 1.749 -4.295 1.00 0.47 P ATOM 196 OP1 DT A 10 -6.213 2.215 -5.698 1.00 0.66 O ATOM 197 OP2 DT A 10 -7.452 2.288 -3.451 1.00 0.73 O ATOM 198 O5' DT A 10 -6.468 0.160 -4.308 1.00 0.45 O ATOM 199 C5' DT A 10 -7.410 -0.505 -5.150 1.00 0.59 C ATOM 200 C4' DT A 10 -6.879 -1.861 -5.554 1.00 0.54 C ATOM 201 O4' DT A 10 -7.969 -2.658 -6.085 1.00 0.70 O ATOM 202 C3' DT A 10 -5.808 -1.832 -6.648 1.00 0.45 C ATOM 203 O3' DT A 10 -4.821 -2.841 -6.406 1.00 0.51 O ATOM 204 C2' DT A 10 -6.589 -2.139 -7.912 1.00 0.44 C ATOM 205 C1' DT A 10 -7.669 -3.077 -7.407 1.00 0.42 C ATOM 206 N1 DT A 10 -8.919 -3.049 -8.193 1.00 0.59 N ATOM 207 C2 DT A 10 -8.931 -3.683 -9.416 1.00 0.76 C ATOM 208 O2 DT A 10 -7.961 -4.263 -9.876 1.00 1.08 O ATOM 209 N3 DT A 10 -10.126 -3.613 -10.084 1.00 0.98 N ATOM 210 C4 DT A 10 -11.282 -2.988 -9.662 1.00 1.12 C ATOM 211 O4 DT A 10 -12.283 -3.009 -10.374 1.00 1.37 O ATOM 212 C5 DT A 10 -11.199 -2.343 -8.371 1.00 1.26 C ATOM 213 C7 DT A 10 -12.407 -1.640 -7.835 1.00 1.84 C ATOM 214 C6 DT A 10 -10.037 -2.403 -7.705 1.00 1.03 C ATOM 0 H5' DT A 10 -7.605 0.097 -6.038 1.00 0.59 H new ATOM 0 H5'' DT A 10 -8.360 -0.619 -4.627 1.00 0.59 H new ATOM 0 H4' DT A 10 -6.430 -2.270 -4.649 1.00 0.54 H new ATOM 0 H3' DT A 10 -5.271 -0.885 -6.699 1.00 0.45 H new ATOM 0 H2' DT A 10 -7.010 -1.238 -8.359 1.00 0.44 H new ATOM 0 H2'' DT A 10 -5.965 -2.610 -8.671 1.00 0.44 H new ATOM 0 H1' DT A 10 -7.291 -4.097 -7.480 1.00 0.42 H new ATOM 0 H3 DT A 10 -10.165 -4.074 -10.993 1.00 0.98 H new ATOM 0 H71 DT A 10 -12.399 -1.681 -6.746 1.00 1.84 H new ATOM 0 H72 DT A 10 -12.396 -0.599 -8.159 1.00 1.84 H new ATOM 0 H73 DT A 10 -13.307 -2.127 -8.209 1.00 1.84 H new ATOM 0 H6 DT A 10 -9.973 -1.923 -6.740 1.00 1.03 H new ATOM 227 P DG A 11 -3.347 -2.684 -7.032 1.00 0.66 P ATOM 228 OP1 DG A 11 -2.414 -2.414 -5.909 1.00 0.75 O ATOM 229 OP2 DG A 11 -3.420 -1.733 -8.170 1.00 0.88 O ATOM 230 O5' DG A 11 -3.011 -4.132 -7.610 1.00 0.91 O ATOM 231 C5' DG A 11 -4.042 -4.995 -8.093 1.00 0.68 C ATOM 232 C4' DG A 11 -3.927 -6.354 -7.443 1.00 0.61 C ATOM 233 O4' DG A 11 -2.569 -6.839 -7.594 1.00 0.47 O ATOM 234 C3' DG A 11 -4.210 -6.374 -5.940 1.00 0.72 C ATOM 235 O3' DG A 11 -4.817 -7.615 -5.564 1.00 0.80 O ATOM 236 C2' DG A 11 -2.829 -6.244 -5.326 1.00 0.62 C ATOM 237 C1' DG A 11 -1.953 -6.988 -6.322 1.00 0.50 C ATOM 238 N9 DG A 11 -0.587 -6.478 -6.420 1.00 0.50 N ATOM 239 C8 DG A 11 -0.151 -5.415 -7.173 1.00 0.56 C ATOM 240 N7 DG A 11 1.129 -5.192 -7.060 1.00 0.61 N ATOM 241 C5 DG A 11 1.568 -6.170 -6.177 1.00 0.55 C ATOM 242 C6 DG A 11 2.867 -6.431 -5.672 1.00 0.58 C ATOM 243 O6 DG A 11 3.917 -5.827 -5.916 1.00 0.65 O ATOM 244 N1 DG A 11 2.878 -7.517 -4.800 1.00 0.57 N ATOM 245 C2 DG A 11 1.766 -8.254 -4.462 1.00 0.57 C ATOM 246 N2 DG A 11 1.965 -9.266 -3.603 1.00 0.66 N ATOM 247 N3 DG A 11 0.548 -8.019 -4.927 1.00 0.54 N ATOM 248 C4 DG A 11 0.523 -6.971 -5.773 1.00 0.51 C ATOM 0 H5' DG A 11 -3.967 -5.094 -9.176 1.00 0.68 H new ATOM 0 H5'' DG A 11 -5.019 -4.562 -7.879 1.00 0.68 H new ATOM 0 H4' DG A 11 -4.678 -6.967 -7.941 1.00 0.61 H new ATOM 0 H3' DG A 11 -4.895 -5.590 -5.618 1.00 0.72 H new ATOM 0 H2' DG A 11 -2.528 -5.202 -5.221 1.00 0.62 H new ATOM 0 H2'' DG A 11 -2.783 -6.691 -4.333 1.00 0.62 H new ATOM 0 H1' DG A 11 -1.871 -8.021 -5.985 1.00 0.50 H new ATOM 0 H8 DG A 11 -0.804 -4.822 -7.797 1.00 0.56 H new ATOM 0 H1 DG A 11 3.770 -7.784 -4.384 1.00 0.57 H new ATOM 0 H21 DG A 11 1.181 -9.850 -3.313 1.00 0.66 H new ATOM 0 H22 DG A 11 2.900 -9.451 -3.241 1.00 0.66 H new ATOM 260 P DG A 12 -5.584 -7.739 -4.156 1.00 0.93 P ATOM 261 OP1 DG A 12 -6.455 -8.939 -4.229 1.00 1.22 O ATOM 262 OP2 DG A 12 -6.181 -6.418 -3.829 1.00 1.14 O ATOM 263 O5' DG A 12 -4.420 -8.037 -3.109 1.00 0.81 O ATOM 264 C5' DG A 12 -4.525 -7.613 -1.750 1.00 0.70 C ATOM 265 C4' DG A 12 -3.541 -8.372 -0.891 1.00 0.52 C ATOM 266 O4' DG A 12 -2.205 -8.173 -1.417 1.00 0.52 O ATOM 267 C3' DG A 12 -3.494 -7.933 0.576 1.00 0.42 C ATOM 268 O3' DG A 12 -3.359 -9.074 1.431 1.00 0.68 O ATOM 269 C2' DG A 12 -2.257 -7.056 0.653 1.00 0.48 C ATOM 270 C1' DG A 12 -1.352 -7.659 -0.408 1.00 0.50 C ATOM 271 N9 DG A 12 -0.439 -6.706 -1.034 1.00 0.50 N ATOM 272 C8 DG A 12 -0.753 -5.743 -1.962 1.00 0.52 C ATOM 273 N7 DG A 12 0.274 -5.032 -2.336 1.00 0.54 N ATOM 274 C5 DG A 12 1.335 -5.558 -1.612 1.00 0.53 C ATOM 275 C6 DG A 12 2.705 -5.193 -1.598 1.00 0.57 C ATOM 276 O6 DG A 12 3.265 -4.302 -2.245 1.00 0.63 O ATOM 277 N1 DG A 12 3.446 -5.983 -0.721 1.00 0.56 N ATOM 278 C2 DG A 12 2.918 -6.998 0.044 1.00 0.55 C ATOM 279 N2 DG A 12 3.784 -7.661 0.827 1.00 0.59 N ATOM 280 N3 DG A 12 1.642 -7.347 0.040 1.00 0.52 N ATOM 281 C4 DG A 12 0.913 -6.591 -0.805 1.00 0.51 C ATOM 0 H5' DG A 12 -5.539 -7.778 -1.387 1.00 0.70 H new ATOM 0 H5'' DG A 12 -4.331 -6.543 -1.679 1.00 0.70 H new ATOM 0 H4' DG A 12 -3.878 -9.408 -0.920 1.00 0.52 H new ATOM 0 H3' DG A 12 -4.397 -7.413 0.895 1.00 0.42 H new ATOM 0 H2' DG A 12 -2.488 -6.012 0.442 1.00 0.48 H new ATOM 0 H2'' DG A 12 -1.799 -7.088 1.642 1.00 0.48 H new ATOM 0 H1' DG A 12 -0.726 -8.410 0.075 1.00 0.50 H new ATOM 0 H8 DG A 12 -1.752 -5.590 -2.344 1.00 0.52 H new ATOM 0 H1 DG A 12 4.446 -5.797 -0.641 1.00 0.56 H new ATOM 0 H21 DG A 12 3.456 -8.424 1.418 1.00 0.59 H new ATOM 0 H22 DG A 12 4.770 -7.401 0.830 1.00 0.59 H new ATOM 293 P DG A 13 -3.591 -8.920 3.016 1.00 0.70 P ATOM 294 OP1 DG A 13 -4.060 -10.233 3.525 1.00 1.07 O ATOM 295 OP2 DG A 13 -4.412 -7.705 3.254 1.00 0.61 O ATOM 296 O5' DG A 13 -2.129 -8.658 3.594 1.00 0.65 O ATOM 297 C5' DG A 13 -1.942 -8.096 4.893 1.00 0.71 C ATOM 298 C4' DG A 13 -0.497 -8.229 5.313 1.00 0.48 C ATOM 299 O4' DG A 13 0.349 -7.640 4.292 1.00 0.36 O ATOM 300 C3' DG A 13 -0.140 -7.518 6.625 1.00 0.34 C ATOM 301 O3' DG A 13 0.723 -8.342 7.417 1.00 0.32 O ATOM 302 C2' DG A 13 0.589 -6.265 6.170 1.00 0.46 C ATOM 303 C1' DG A 13 1.251 -6.723 4.886 1.00 0.37 C ATOM 304 N9 DG A 13 1.514 -5.654 3.924 1.00 0.35 N ATOM 305 C8 DG A 13 0.596 -4.998 3.139 1.00 0.39 C ATOM 306 N7 DG A 13 1.130 -4.084 2.376 1.00 0.43 N ATOM 307 C5 DG A 13 2.484 -4.139 2.675 1.00 0.41 C ATOM 308 C6 DG A 13 3.567 -3.382 2.160 1.00 0.48 C ATOM 309 O6 DG A 13 3.537 -2.485 1.312 1.00 0.59 O ATOM 310 N1 DG A 13 4.782 -3.755 2.732 1.00 0.47 N ATOM 311 C2 DG A 13 4.923 -4.740 3.684 1.00 0.39 C ATOM 312 N2 DG A 13 6.171 -4.966 4.122 1.00 0.42 N ATOM 313 N3 DG A 13 3.920 -5.452 4.172 1.00 0.34 N ATOM 314 C4 DG A 13 2.738 -5.102 3.627 1.00 0.34 C ATOM 0 H5' DG A 13 -2.586 -8.602 5.613 1.00 0.71 H new ATOM 0 H5'' DG A 13 -2.232 -7.045 4.888 1.00 0.71 H new ATOM 0 H4' DG A 13 -0.340 -9.298 5.454 1.00 0.48 H new ATOM 0 H3' DG A 13 -1.011 -7.298 7.242 1.00 0.34 H new ATOM 0 H2' DG A 13 -0.097 -5.435 6.000 1.00 0.46 H new ATOM 0 H2'' DG A 13 1.319 -5.930 6.906 1.00 0.46 H new ATOM 0 H1' DG A 13 2.225 -7.144 5.137 1.00 0.37 H new ATOM 0 H8 DG A 13 -0.461 -5.217 3.152 1.00 0.39 H new ATOM 0 H1 DG A 13 5.623 -3.266 2.425 1.00 0.47 H new ATOM 0 H21 DG A 13 6.342 -5.683 4.827 1.00 0.42 H new ATOM 0 H22 DG A 13 6.949 -4.421 3.750 1.00 0.42 H new ATOM 326 P DT A 14 0.793 -8.130 9.009 1.00 0.62 P ATOM 327 OP1 DT A 14 -0.586 -8.284 9.539 1.00 0.98 O ATOM 328 OP2 DT A 14 1.548 -6.880 9.280 1.00 0.99 O ATOM 329 O5' DT A 14 1.663 -9.362 9.524 1.00 0.42 O ATOM 330 C5' DT A 14 1.218 -10.706 9.337 1.00 0.34 C ATOM 331 C4' DT A 14 2.403 -11.639 9.251 1.00 0.24 C ATOM 332 O4' DT A 14 3.149 -11.579 10.490 1.00 0.25 O ATOM 333 C3' DT A 14 2.050 -13.111 9.068 1.00 0.39 C ATOM 334 O3' DT A 14 1.970 -13.436 7.676 1.00 0.35 O ATOM 335 C2' DT A 14 3.221 -13.820 9.719 1.00 0.69 C ATOM 336 C1' DT A 14 3.593 -12.881 10.860 1.00 0.41 C ATOM 337 N1 DT A 14 2.973 -13.223 12.155 1.00 0.38 N ATOM 338 C2 DT A 14 3.596 -14.165 12.945 1.00 0.61 C ATOM 339 O2 DT A 14 4.631 -14.725 12.624 1.00 0.87 O ATOM 340 N3 DT A 14 2.959 -14.428 14.131 1.00 0.70 N ATOM 341 C4 DT A 14 1.790 -13.858 14.594 1.00 0.70 C ATOM 342 O4 DT A 14 1.336 -14.196 15.684 1.00 0.90 O ATOM 343 C5 DT A 14 1.191 -12.878 13.716 1.00 0.68 C ATOM 344 C7 DT A 14 -0.080 -12.208 14.137 1.00 1.02 C ATOM 345 C6 DT A 14 1.802 -12.610 12.552 1.00 0.49 C ATOM 0 H5' DT A 14 0.623 -10.777 8.426 1.00 0.34 H new ATOM 0 H5'' DT A 14 0.572 -11.002 10.164 1.00 0.34 H new ATOM 0 H4' DT A 14 2.956 -11.300 8.375 1.00 0.24 H new ATOM 0 H3' DT A 14 1.087 -13.386 9.498 1.00 0.39 H new ATOM 0 H2' DT A 14 2.943 -14.809 10.083 1.00 0.69 H new ATOM 0 H2'' DT A 14 4.048 -13.958 9.023 1.00 0.69 H new ATOM 0 H1' DT A 14 4.671 -12.954 11.005 1.00 0.41 H new ATOM 0 H3 DT A 14 3.397 -15.121 14.738 1.00 0.70 H new ATOM 0 H71 DT A 14 -0.121 -11.205 13.712 1.00 1.02 H new ATOM 0 H72 DT A 14 -0.932 -12.788 13.781 1.00 1.02 H new ATOM 0 H73 DT A 14 -0.114 -12.143 15.225 1.00 1.02 H new ATOM 0 H6 DT A 14 1.356 -11.879 11.894 1.00 0.49 H new ATOM 358 P DA A 15 0.653 -14.155 7.096 1.00 0.74 P ATOM 359 OP1 DA A 15 -0.523 -13.391 7.586 1.00 1.46 O ATOM 360 OP2 DA A 15 0.753 -15.609 7.379 1.00 1.62 O ATOM 361 O5' DA A 15 0.761 -13.942 5.521 1.00 0.45 O ATOM 362 C5' DA A 15 -0.287 -14.368 4.650 1.00 0.64 C ATOM 363 C4' DA A 15 -0.077 -13.800 3.265 1.00 0.55 C ATOM 364 O4' DA A 15 -1.138 -14.268 2.395 1.00 0.47 O ATOM 365 C3' DA A 15 -0.115 -12.273 3.183 1.00 0.55 C ATOM 366 O3' DA A 15 0.780 -11.804 2.169 1.00 0.60 O ATOM 367 C2' DA A 15 -1.554 -11.985 2.799 1.00 0.52 C ATOM 368 C1' DA A 15 -1.898 -13.169 1.912 1.00 0.47 C ATOM 369 N9 DA A 15 -3.311 -13.552 1.936 1.00 0.49 N ATOM 370 C8 DA A 15 -3.957 -14.328 2.867 1.00 0.57 C ATOM 371 N7 DA A 15 -5.234 -14.497 2.620 1.00 0.67 N ATOM 372 C5 DA A 15 -5.443 -13.785 1.447 1.00 0.67 C ATOM 373 C6 DA A 15 -6.591 -13.570 0.663 1.00 0.85 C ATOM 374 N6 DA A 15 -7.793 -14.073 0.956 1.00 1.01 N ATOM 375 N1 DA A 15 -6.460 -12.811 -0.446 1.00 0.93 N ATOM 376 C2 DA A 15 -5.255 -12.307 -0.740 1.00 0.85 C ATOM 377 N3 DA A 15 -4.104 -12.438 -0.083 1.00 0.68 N ATOM 378 C4 DA A 15 -4.268 -13.197 1.014 1.00 0.57 C ATOM 0 H5' DA A 15 -1.251 -14.043 5.042 1.00 0.64 H new ATOM 0 H5'' DA A 15 -0.312 -15.457 4.605 1.00 0.64 H new ATOM 0 H4' DA A 15 0.919 -14.133 2.973 1.00 0.55 H new ATOM 0 H3' DA A 15 0.189 -11.783 4.108 1.00 0.55 H new ATOM 0 H2' DA A 15 -2.204 -11.929 3.672 1.00 0.52 H new ATOM 0 H2'' DA A 15 -1.651 -11.038 2.268 1.00 0.52 H new ATOM 0 H1' DA A 15 -1.675 -12.889 0.882 1.00 0.47 H new ATOM 0 H8 DA A 15 -3.460 -14.759 3.723 1.00 0.57 H new ATOM 0 H61 DA A 15 -8.588 -13.881 0.347 1.00 1.01 H new ATOM 0 H62 DA A 15 -7.916 -14.649 1.789 1.00 1.01 H new ATOM 0 H2 DA A 15 -5.210 -11.709 -1.638 1.00 0.85 H new ATOM 390 P DG A 16 2.342 -11.610 2.503 1.00 0.52 P ATOM 391 OP1 DG A 16 2.592 -12.213 3.837 1.00 0.87 O ATOM 392 OP2 DG A 16 2.695 -10.187 2.264 1.00 1.08 O ATOM 393 O5' DG A 16 3.083 -12.498 1.405 1.00 0.38 O ATOM 394 C5' DG A 16 3.694 -13.742 1.749 1.00 0.40 C ATOM 395 C4' DG A 16 5.199 -13.609 1.718 1.00 0.32 C ATOM 396 O4' DG A 16 5.606 -13.145 0.406 1.00 0.35 O ATOM 397 C3' DG A 16 5.777 -12.603 2.716 1.00 0.36 C ATOM 398 O3' DG A 16 7.037 -13.065 3.216 1.00 0.44 O ATOM 399 C2' DG A 16 5.958 -11.348 1.883 1.00 0.39 C ATOM 400 C1' DG A 16 6.295 -11.909 0.514 1.00 0.31 C ATOM 401 N9 DG A 16 5.880 -11.061 -0.602 1.00 0.33 N ATOM 402 C8 DG A 16 4.648 -11.033 -1.207 1.00 0.45 C ATOM 403 N7 DG A 16 4.572 -10.170 -2.183 1.00 0.47 N ATOM 404 C5 DG A 16 5.834 -9.591 -2.224 1.00 0.35 C ATOM 405 C6 DG A 16 6.353 -8.585 -3.077 1.00 0.34 C ATOM 406 O6 DG A 16 5.777 -7.985 -3.991 1.00 0.44 O ATOM 407 N1 DG A 16 7.682 -8.287 -2.782 1.00 0.26 N ATOM 408 C2 DG A 16 8.411 -8.891 -1.783 1.00 0.26 C ATOM 409 N2 DG A 16 9.677 -8.471 -1.634 1.00 0.36 N ATOM 410 N3 DG A 16 7.937 -9.831 -0.981 1.00 0.25 N ATOM 411 C4 DG A 16 6.652 -10.130 -1.256 1.00 0.27 C ATOM 0 H5' DG A 16 3.375 -14.517 1.052 1.00 0.40 H new ATOM 0 H5'' DG A 16 3.369 -14.053 2.742 1.00 0.40 H new ATOM 0 H4' DG A 16 5.575 -14.599 1.977 1.00 0.32 H new ATOM 0 H3' DG A 16 5.141 -12.447 3.588 1.00 0.36 H new ATOM 0 H2' DG A 16 5.053 -10.741 1.861 1.00 0.39 H new ATOM 0 H2'' DG A 16 6.757 -10.715 2.270 1.00 0.39 H new ATOM 0 H1' DG A 16 7.379 -11.995 0.445 1.00 0.31 H new ATOM 0 H8 DG A 16 3.824 -11.662 -0.905 1.00 0.45 H new ATOM 0 H1 DG A 16 8.146 -7.573 -3.344 1.00 0.26 H new ATOM 0 H21 DG A 16 10.268 -8.880 -0.911 1.00 0.36 H new ATOM 0 H22 DG A 16 10.048 -7.743 -2.244 1.00 0.36 H new ATOM 423 P DG A 17 7.719 -12.331 4.475 1.00 0.53 P ATOM 424 OP1 DG A 17 8.595 -13.324 5.147 1.00 0.70 O ATOM 425 OP2 DG A 17 6.653 -11.649 5.254 1.00 0.69 O ATOM 426 O5' DG A 17 8.648 -11.216 3.816 1.00 0.40 O ATOM 427 C5' DG A 17 9.795 -11.576 3.045 1.00 0.49 C ATOM 428 C4' DG A 17 10.746 -10.405 2.943 1.00 0.34 C ATOM 429 O4' DG A 17 10.288 -9.512 1.894 1.00 0.33 O ATOM 430 C3' DG A 17 10.853 -9.547 4.209 1.00 0.40 C ATOM 431 O3' DG A 17 12.204 -9.112 4.402 1.00 0.43 O ATOM 432 C2' DG A 17 9.947 -8.366 3.912 1.00 0.44 C ATOM 433 C1' DG A 17 10.113 -8.204 2.413 1.00 0.28 C ATOM 434 N9 DG A 17 8.968 -7.596 1.737 1.00 0.30 N ATOM 435 C8 DG A 17 7.656 -7.997 1.802 1.00 0.35 C ATOM 436 N7 DG A 17 6.854 -7.259 1.086 1.00 0.41 N ATOM 437 C5 DG A 17 7.688 -6.309 0.511 1.00 0.41 C ATOM 438 C6 DG A 17 7.388 -5.237 -0.367 1.00 0.47 C ATOM 439 O6 DG A 17 6.288 -4.909 -0.825 1.00 0.56 O ATOM 440 N1 DG A 17 8.527 -4.512 -0.713 1.00 0.47 N ATOM 441 C2 DG A 17 9.795 -4.796 -0.259 1.00 0.42 C ATOM 442 N2 DG A 17 10.775 -3.989 -0.695 1.00 0.46 N ATOM 443 N3 DG A 17 10.087 -5.793 0.560 1.00 0.36 N ATOM 444 C4 DG A 17 8.994 -6.503 0.902 1.00 0.35 C ATOM 0 H5' DG A 17 9.487 -11.892 2.048 1.00 0.49 H new ATOM 0 H5'' DG A 17 10.300 -12.425 3.506 1.00 0.49 H new ATOM 0 H4' DG A 17 11.722 -10.852 2.753 1.00 0.34 H new ATOM 0 H3' DG A 17 10.570 -10.081 5.116 1.00 0.40 H new ATOM 0 H2' DG A 17 8.912 -8.568 4.188 1.00 0.44 H new ATOM 0 H2'' DG A 17 10.253 -7.472 4.455 1.00 0.44 H new ATOM 0 H1' DG A 17 10.954 -7.533 2.238 1.00 0.28 H new ATOM 0 H8 DG A 17 7.322 -8.840 2.388 1.00 0.35 H new ATOM 0 H1 DG A 17 8.413 -3.719 -1.344 1.00 0.47 H new ATOM 0 H21 DG A 17 11.737 -4.147 -0.395 1.00 0.46 H new ATOM 0 H22 DG A 17 10.558 -3.218 -1.327 1.00 0.46 H new ATOM 456 P DG A 18 12.623 -8.379 5.771 1.00 0.52 P ATOM 457 OP1 DG A 18 13.880 -9.011 6.246 1.00 0.75 O ATOM 458 OP2 DG A 18 11.438 -8.341 6.665 1.00 0.66 O ATOM 459 O5' DG A 18 12.958 -6.887 5.321 1.00 0.52 O ATOM 460 C5' DG A 18 14.086 -6.606 4.492 1.00 0.55 C ATOM 461 C4' DG A 18 14.093 -5.147 4.097 1.00 0.44 C ATOM 462 O4' DG A 18 12.907 -4.863 3.329 1.00 0.49 O ATOM 463 C3' DG A 18 14.077 -4.160 5.273 1.00 0.52 C ATOM 464 O3' DG A 18 15.344 -3.492 5.379 1.00 0.48 O ATOM 465 C2' DG A 18 12.962 -3.164 4.942 1.00 0.70 C ATOM 466 C1' DG A 18 12.555 -3.512 3.518 1.00 0.56 C ATOM 467 N9 DG A 18 11.124 -3.377 3.247 1.00 0.56 N ATOM 468 C8 DG A 18 10.103 -4.104 3.809 1.00 0.53 C ATOM 469 N7 DG A 18 8.924 -3.762 3.369 1.00 0.54 N ATOM 470 C5 DG A 18 9.181 -2.745 2.460 1.00 0.57 C ATOM 471 C6 DG A 18 8.290 -1.982 1.664 1.00 0.59 C ATOM 472 O6 DG A 18 7.058 -2.062 1.605 1.00 0.63 O ATOM 473 N1 DG A 18 8.962 -1.050 0.877 1.00 0.64 N ATOM 474 C2 DG A 18 10.329 -0.882 0.867 1.00 0.67 C ATOM 475 N2 DG A 18 10.803 0.066 0.044 1.00 0.74 N ATOM 476 N3 DG A 18 11.170 -1.588 1.606 1.00 0.64 N ATOM 477 C4 DG A 18 10.532 -2.495 2.373 1.00 0.59 C ATOM 0 H5' DG A 18 14.056 -7.232 3.600 1.00 0.55 H new ATOM 0 H5'' DG A 18 15.006 -6.851 5.022 1.00 0.55 H new ATOM 0 H4' DG A 18 15.024 -5.008 3.548 1.00 0.44 H new ATOM 0 H3' DG A 18 13.904 -4.657 6.228 1.00 0.52 H new ATOM 0 H2' DG A 18 12.123 -3.263 5.631 1.00 0.70 H new ATOM 0 H2'' DG A 18 13.314 -2.135 5.015 1.00 0.70 H new ATOM 0 H1' DG A 18 13.058 -2.817 2.846 1.00 0.56 H new ATOM 0 H8 DG A 18 10.261 -4.881 4.542 1.00 0.53 H new ATOM 0 H1 DG A 18 8.405 -0.452 0.267 1.00 0.64 H new ATOM 0 H21 DG A 18 11.807 0.240 -0.010 1.00 0.74 H new ATOM 0 H22 DG A 18 10.160 0.613 -0.528 1.00 0.74 H new ATOM 489 P DT A 19 15.776 -2.374 4.304 1.00 0.48 P ATOM 490 OP1 DT A 19 15.256 -1.068 4.786 1.00 0.76 O ATOM 491 OP2 DT A 19 15.407 -2.855 2.948 1.00 0.80 O ATOM 492 O5' DT A 19 17.366 -2.339 4.406 1.00 0.52 O ATOM 493 C5' DT A 19 18.161 -1.808 3.346 1.00 0.83 C ATOM 494 C4' DT A 19 19.150 -2.845 2.865 1.00 0.72 C ATOM 495 O4' DT A 19 20.055 -3.175 3.950 1.00 0.72 O ATOM 496 C3' DT A 19 18.527 -4.170 2.420 1.00 0.62 C ATOM 497 O3' DT A 19 19.255 -4.716 1.314 1.00 0.71 O ATOM 498 C2' DT A 19 18.673 -5.054 3.645 1.00 0.59 C ATOM 499 C1' DT A 19 19.974 -4.560 4.252 1.00 0.59 C ATOM 500 N1 DT A 19 20.061 -4.714 5.717 1.00 0.75 N ATOM 501 C2 DT A 19 20.578 -5.888 6.218 1.00 0.85 C ATOM 502 O2 DT A 19 20.967 -6.802 5.509 1.00 0.85 O ATOM 503 N3 DT A 19 20.625 -5.955 7.587 1.00 1.09 N ATOM 504 C4 DT A 19 20.216 -4.988 8.483 1.00 1.23 C ATOM 505 O4 DT A 19 20.320 -5.191 9.690 1.00 1.47 O ATOM 506 C5 DT A 19 19.683 -3.782 7.890 1.00 1.17 C ATOM 507 C7 DT A 19 19.215 -2.678 8.787 1.00 1.46 C ATOM 508 C6 DT A 19 19.631 -3.702 6.552 1.00 0.95 C ATOM 0 H5' DT A 19 18.692 -0.920 3.690 1.00 0.83 H new ATOM 0 H5'' DT A 19 17.520 -1.497 2.522 1.00 0.83 H new ATOM 0 H4' DT A 19 19.637 -2.392 2.002 1.00 0.72 H new ATOM 0 H3' DT A 19 17.494 -4.070 2.087 1.00 0.62 H new ATOM 0 H2' DT A 19 17.835 -4.938 4.332 1.00 0.59 H new ATOM 0 H2'' DT A 19 18.724 -6.110 3.380 1.00 0.59 H new ATOM 0 H1' DT A 19 20.785 -5.157 3.836 1.00 0.59 H new ATOM 0 H3 DT A 19 21.004 -6.814 7.987 1.00 1.09 H new ATOM 0 H71 DT A 19 19.351 -1.720 8.286 1.00 1.46 H new ATOM 0 H72 DT A 19 18.159 -2.820 9.018 1.00 1.46 H new ATOM 0 H73 DT A 19 19.793 -2.690 9.711 1.00 1.46 H new ATOM 0 H6 DT A 19 19.233 -2.802 6.106 1.00 0.95 H new ATOM 521 P DG A 20 18.524 -5.717 0.290 1.00 0.67 P ATOM 522 OP1 DG A 20 18.080 -6.902 1.067 1.00 0.66 O ATOM 523 OP2 DG A 20 19.405 -5.902 -0.891 1.00 1.11 O ATOM 524 O5' DG A 20 17.227 -4.916 -0.175 1.00 0.57 O ATOM 525 C5' DG A 20 16.232 -5.535 -0.991 1.00 0.54 C ATOM 526 C4' DG A 20 16.274 -4.961 -2.388 1.00 0.41 C ATOM 527 O4' DG A 20 15.250 -5.601 -3.192 1.00 0.38 O ATOM 528 C3' DG A 20 16.000 -3.457 -2.475 1.00 0.42 C ATOM 529 O3' DG A 20 16.820 -2.858 -3.485 1.00 0.45 O ATOM 530 C2' DG A 20 14.536 -3.387 -2.865 1.00 0.37 C ATOM 531 C1' DG A 20 14.369 -4.625 -3.726 1.00 0.33 C ATOM 532 N9 DG A 20 13.018 -5.183 -3.725 1.00 0.30 N ATOM 533 C8 DG A 20 12.577 -6.285 -3.035 1.00 0.33 C ATOM 534 N7 DG A 20 11.317 -6.554 -3.242 1.00 0.34 N ATOM 535 C5 DG A 20 10.899 -5.566 -4.124 1.00 0.31 C ATOM 536 C6 DG A 20 9.628 -5.339 -4.710 1.00 0.35 C ATOM 537 O6 DG A 20 8.588 -5.989 -4.557 1.00 0.40 O ATOM 538 N1 DG A 20 9.633 -4.226 -5.550 1.00 0.36 N ATOM 539 C2 DG A 20 10.735 -3.436 -5.786 1.00 0.33 C ATOM 540 N2 DG A 20 10.551 -2.396 -6.613 1.00 0.39 N ATOM 541 N3 DG A 20 11.925 -3.639 -5.246 1.00 0.30 N ATOM 542 C4 DG A 20 11.936 -4.713 -4.432 1.00 0.29 C ATOM 0 H5' DG A 20 15.245 -5.379 -0.555 1.00 0.54 H new ATOM 0 H5'' DG A 20 16.398 -6.612 -1.027 1.00 0.54 H new ATOM 0 H4' DG A 20 17.291 -5.141 -2.737 1.00 0.41 H new ATOM 0 H3' DG A 20 16.219 -2.927 -1.548 1.00 0.42 H new ATOM 0 H2' DG A 20 13.882 -3.407 -1.993 1.00 0.37 H new ATOM 0 H2'' DG A 20 14.305 -2.475 -3.416 1.00 0.37 H new ATOM 0 H1' DG A 20 14.580 -4.348 -4.759 1.00 0.33 H new ATOM 0 H8 DG A 20 13.210 -6.871 -2.385 1.00 0.33 H new ATOM 0 H1 DG A 20 8.762 -3.981 -6.021 1.00 0.36 H new ATOM 0 H21 DG A 20 11.329 -1.772 -6.829 1.00 0.39 H new ATOM 0 H22 DG A 20 9.633 -2.229 -7.026 1.00 0.39 H new ATOM 554 P DG A 21 17.093 -1.272 -3.460 1.00 0.53 P ATOM 555 OP1 DG A 21 18.195 -0.997 -4.418 1.00 0.79 O ATOM 556 OP2 DG A 21 17.230 -0.843 -2.045 1.00 0.81 O ATOM 557 O5' DG A 21 15.753 -0.639 -4.049 1.00 0.43 O ATOM 558 C5' DG A 21 15.507 -0.610 -5.455 1.00 0.47 C ATOM 559 C4' DG A 21 14.544 0.506 -5.797 1.00 0.45 C ATOM 560 O4' DG A 21 13.185 0.009 -5.688 1.00 0.44 O ATOM 561 C3' DG A 21 14.621 1.730 -4.878 1.00 0.48 C ATOM 562 O3' DG A 21 14.432 2.931 -5.634 1.00 0.55 O ATOM 563 C2' DG A 21 13.467 1.519 -3.914 1.00 0.52 C ATOM 564 C1' DG A 21 12.444 0.818 -4.789 1.00 0.49 C ATOM 565 N9 DG A 21 11.513 -0.046 -4.064 1.00 0.46 N ATOM 566 C8 DG A 21 11.810 -0.914 -3.043 1.00 0.44 C ATOM 567 N7 DG A 21 10.770 -1.559 -2.594 1.00 0.43 N ATOM 568 C5 DG A 21 9.717 -1.088 -3.366 1.00 0.43 C ATOM 569 C6 DG A 21 8.340 -1.422 -3.338 1.00 0.45 C ATOM 570 O6 DG A 21 7.764 -2.232 -2.602 1.00 0.47 O ATOM 571 N1 DG A 21 7.612 -0.711 -4.290 1.00 0.53 N ATOM 572 C2 DG A 21 8.158 0.208 -5.158 1.00 0.57 C ATOM 573 N2 DG A 21 7.305 0.800 -6.007 1.00 0.68 N ATOM 574 N3 DG A 21 9.442 0.527 -5.193 1.00 0.55 N ATOM 575 C4 DG A 21 10.158 -0.154 -4.277 1.00 0.47 C ATOM 0 H5' DG A 21 15.096 -1.566 -5.779 1.00 0.47 H new ATOM 0 H5'' DG A 21 16.445 -0.468 -5.992 1.00 0.47 H new ATOM 0 H4' DG A 21 14.823 0.820 -6.803 1.00 0.45 H new ATOM 0 H3' DG A 21 15.583 1.831 -4.375 1.00 0.48 H new ATOM 0 H2' DG A 21 13.757 0.909 -3.058 1.00 0.52 H new ATOM 0 H2'' DG A 21 13.088 2.462 -3.520 1.00 0.52 H new ATOM 0 H1' DG A 21 11.832 1.582 -5.268 1.00 0.49 H new ATOM 0 H8 DG A 21 12.807 -1.049 -2.650 1.00 0.44 H new ATOM 0 H1 DG A 21 6.608 -0.883 -4.348 1.00 0.53 H new ATOM 0 H21 DG A 21 7.647 1.490 -6.675 1.00 0.68 H new ATOM 0 H22 DG A 21 6.314 0.560 -5.984 1.00 0.68 H new ATOM 587 P DG A 22 14.828 4.353 -4.995 1.00 0.73 P ATOM 588 OP1 DG A 22 15.952 4.901 -5.797 1.00 0.93 O ATOM 589 OP2 DG A 22 14.990 4.180 -3.529 1.00 0.78 O ATOM 590 O5' DG A 22 13.545 5.264 -5.256 1.00 0.83 O ATOM 591 C5' DG A 22 12.706 5.685 -4.180 1.00 0.84 C ATOM 592 C4' DG A 22 11.280 5.829 -4.659 1.00 0.79 C ATOM 593 O4' DG A 22 10.692 4.518 -4.803 1.00 0.77 O ATOM 594 C3' DG A 22 10.353 6.573 -3.707 1.00 0.75 C ATOM 595 O3' DG A 22 10.383 7.978 -3.980 1.00 0.83 O ATOM 596 C2' DG A 22 8.988 5.992 -4.037 1.00 0.71 C ATOM 597 C1' DG A 22 9.302 4.571 -4.502 1.00 0.71 C ATOM 598 N9 DG A 22 9.018 3.536 -3.509 1.00 0.66 N ATOM 599 C8 DG A 22 9.924 2.872 -2.718 1.00 0.66 C ATOM 600 N7 DG A 22 9.373 1.995 -1.926 1.00 0.65 N ATOM 601 C5 DG A 22 8.017 2.083 -2.211 1.00 0.63 C ATOM 602 C6 DG A 22 6.920 1.372 -1.665 1.00 0.63 C ATOM 603 O6 DG A 22 6.934 0.496 -0.793 1.00 0.67 O ATOM 604 N1 DG A 22 5.710 1.766 -2.232 1.00 0.64 N ATOM 605 C2 DG A 22 5.586 2.729 -3.207 1.00 0.65 C ATOM 606 N2 DG A 22 4.339 2.979 -3.638 1.00 0.70 N ATOM 607 N3 DG A 22 6.603 3.399 -3.725 1.00 0.65 N ATOM 608 C4 DG A 22 7.781 3.028 -3.184 1.00 0.64 C ATOM 0 H5' DG A 22 13.062 6.635 -3.782 1.00 0.84 H new ATOM 0 H5'' DG A 22 12.753 4.961 -3.367 1.00 0.84 H new ATOM 0 H4' DG A 22 11.360 6.396 -5.587 1.00 0.79 H new ATOM 0 H3' DG A 22 10.626 6.461 -2.658 1.00 0.75 H new ATOM 0 H2' DG A 22 8.332 5.993 -3.167 1.00 0.71 H new ATOM 0 H2'' DG A 22 8.486 6.566 -4.816 1.00 0.71 H new ATOM 0 H1' DG A 22 8.661 4.365 -5.359 1.00 0.71 H new ATOM 0 H8 DG A 22 10.987 3.058 -2.749 1.00 0.66 H new ATOM 0 H1 DG A 22 4.859 1.310 -1.902 1.00 0.64 H new ATOM 0 H21 DG A 22 4.180 3.682 -4.360 1.00 0.70 H new ATOM 0 H22 DG A 22 3.551 2.466 -3.244 1.00 0.70 H new ATOM 620 P DT A 23 9.866 9.021 -2.870 1.00 0.72 P ATOM 621 OP1 DT A 23 10.029 10.385 -3.432 1.00 0.87 O ATOM 622 OP2 DT A 23 10.507 8.680 -1.574 1.00 0.84 O ATOM 623 O5' DT A 23 8.306 8.717 -2.753 1.00 0.52 O ATOM 624 C5' DT A 23 7.485 9.437 -1.833 1.00 0.58 C ATOM 625 C4' DT A 23 6.026 9.155 -2.108 1.00 0.57 C ATOM 626 O4' DT A 23 5.788 7.729 -1.986 1.00 0.59 O ATOM 627 C3' DT A 23 5.047 9.830 -1.142 1.00 0.62 C ATOM 628 O3' DT A 23 3.873 10.258 -1.843 1.00 0.84 O ATOM 629 C2' DT A 23 4.711 8.726 -0.156 1.00 0.61 C ATOM 630 C1' DT A 23 4.767 7.488 -1.031 1.00 0.56 C ATOM 631 N1 DT A 23 5.097 6.244 -0.307 1.00 0.51 N ATOM 632 C2 DT A 23 4.058 5.442 0.113 1.00 0.53 C ATOM 633 O2 DT A 23 2.885 5.710 -0.087 1.00 0.60 O ATOM 634 N3 DT A 23 4.446 4.309 0.781 1.00 0.55 N ATOM 635 C4 DT A 23 5.734 3.907 1.063 1.00 0.59 C ATOM 636 O4 DT A 23 5.924 2.860 1.676 1.00 0.67 O ATOM 637 C5 DT A 23 6.775 4.794 0.594 1.00 0.58 C ATOM 638 C7 DT A 23 8.205 4.436 0.857 1.00 0.70 C ATOM 639 C6 DT A 23 6.413 5.907 -0.062 1.00 0.54 C ATOM 0 H5' DT A 23 7.679 10.506 -1.920 1.00 0.58 H new ATOM 0 H5'' DT A 23 7.733 9.150 -0.811 1.00 0.58 H new ATOM 0 H4' DT A 23 5.845 9.551 -3.107 1.00 0.57 H new ATOM 0 H3' DT A 23 5.457 10.718 -0.662 1.00 0.62 H new ATOM 0 H2' DT A 23 5.429 8.679 0.663 1.00 0.61 H new ATOM 0 H2'' DT A 23 3.727 8.865 0.291 1.00 0.61 H new ATOM 0 H1' DT A 23 3.778 7.331 -1.461 1.00 0.56 H new ATOM 0 H3 DT A 23 3.698 3.696 1.105 1.00 0.55 H new ATOM 0 H71 DT A 23 8.832 4.834 0.060 1.00 0.70 H new ATOM 0 H72 DT A 23 8.517 4.861 1.811 1.00 0.70 H new ATOM 0 H73 DT A 23 8.308 3.351 0.892 1.00 0.70 H new ATOM 0 H6 DT A 23 7.188 6.571 -0.415 1.00 0.54 H new ATOM 652 P DA A 24 2.674 10.972 -1.042 1.00 1.03 P ATOM 653 OP1 DA A 24 1.978 11.873 -1.995 1.00 1.38 O ATOM 654 OP2 DA A 24 3.221 11.524 0.224 1.00 1.02 O ATOM 655 O5' DA A 24 1.686 9.773 -0.683 1.00 0.97 O ATOM 656 C5' DA A 24 0.896 9.797 0.506 1.00 0.96 C ATOM 657 C4' DA A 24 0.607 8.386 0.966 1.00 0.80 C ATOM 658 O4' DA A 24 1.831 7.792 1.469 1.00 0.73 O ATOM 659 C3' DA A 24 -0.407 8.274 2.105 1.00 0.74 C ATOM 660 O3' DA A 24 -1.168 7.068 1.975 1.00 0.78 O ATOM 661 C2' DA A 24 0.469 8.223 3.342 1.00 0.71 C ATOM 662 C1' DA A 24 1.688 7.465 2.845 1.00 0.70 C ATOM 663 N9 DA A 24 2.937 7.815 3.525 1.00 0.71 N ATOM 664 C8 DA A 24 3.819 8.817 3.202 1.00 0.74 C ATOM 665 N7 DA A 24 4.855 8.887 4.002 1.00 0.78 N ATOM 666 C5 DA A 24 4.642 7.863 4.914 1.00 0.77 C ATOM 667 C6 DA A 24 5.383 7.412 6.020 1.00 0.84 C ATOM 668 N6 DA A 24 6.537 7.958 6.412 1.00 0.92 N ATOM 669 N1 DA A 24 4.893 6.366 6.720 1.00 0.86 N ATOM 670 C2 DA A 24 3.736 5.817 6.328 1.00 0.83 C ATOM 671 N3 DA A 24 2.949 6.152 5.307 1.00 0.76 N ATOM 672 C4 DA A 24 3.465 7.194 4.632 1.00 0.73 C ATOM 0 H5' DA A 24 -0.039 10.326 0.320 1.00 0.96 H new ATOM 0 H5'' DA A 24 1.421 10.343 1.290 1.00 0.96 H new ATOM 0 H4' DA A 24 0.194 7.885 0.091 1.00 0.80 H new ATOM 0 H3' DA A 24 -1.129 9.091 2.125 1.00 0.74 H new ATOM 0 H2' DA A 24 0.728 9.220 3.698 1.00 0.71 H new ATOM 0 H2'' DA A 24 -0.022 7.707 4.167 1.00 0.71 H new ATOM 0 H1' DA A 24 1.523 6.405 3.038 1.00 0.70 H new ATOM 0 H8 DA A 24 3.673 9.485 2.366 1.00 0.74 H new ATOM 0 H61 DA A 24 7.028 7.585 7.224 1.00 0.92 H new ATOM 0 H62 DA A 24 6.927 8.748 5.899 1.00 0.92 H new ATOM 0 H2 DA A 24 3.392 4.985 6.924 1.00 0.83 H new ATOM 684 P DA A 25 -2.631 6.967 2.636 1.00 0.79 P ATOM 685 OP1 DA A 25 -3.605 7.477 1.638 1.00 1.05 O ATOM 686 OP2 DA A 25 -2.576 7.581 3.988 1.00 0.81 O ATOM 687 O5' DA A 25 -2.870 5.401 2.807 1.00 0.76 O ATOM 688 C5' DA A 25 -2.524 4.486 1.765 1.00 0.78 C ATOM 689 C4' DA A 25 -2.459 3.076 2.307 1.00 0.71 C ATOM 690 O4' DA A 25 -1.372 2.367 1.680 1.00 0.66 O ATOM 691 C3' DA A 25 -2.168 2.968 3.796 1.00 0.71 C ATOM 692 O3' DA A 25 -3.373 3.065 4.560 1.00 0.85 O ATOM 693 C2' DA A 25 -1.557 1.581 3.919 1.00 0.69 C ATOM 694 C1' DA A 25 -0.905 1.345 2.554 1.00 0.67 C ATOM 695 N9 DA A 25 0.560 1.395 2.569 1.00 0.67 N ATOM 696 C8 DA A 25 1.384 2.208 1.829 1.00 0.65 C ATOM 697 N7 DA A 25 2.660 2.018 2.061 1.00 0.69 N ATOM 698 C5 DA A 25 2.681 1.013 3.017 1.00 0.74 C ATOM 699 C6 DA A 25 3.734 0.358 3.681 1.00 0.82 C ATOM 700 N6 DA A 25 5.026 0.633 3.479 1.00 0.88 N ATOM 701 N1 DA A 25 3.412 -0.599 4.578 1.00 0.88 N ATOM 702 C2 DA A 25 2.118 -0.874 4.787 1.00 0.86 C ATOM 703 N3 DA A 25 1.041 -0.329 4.226 1.00 0.79 N ATOM 704 C4 DA A 25 1.394 0.619 3.340 1.00 0.73 C ATOM 0 H5' DA A 25 -1.562 4.762 1.334 1.00 0.78 H new ATOM 0 H5'' DA A 25 -3.260 4.541 0.963 1.00 0.78 H new ATOM 0 H4' DA A 25 -3.450 2.670 2.103 1.00 0.71 H new ATOM 0 H3' DA A 25 -1.520 3.761 4.169 1.00 0.71 H new ATOM 0 H2' DA A 25 -0.824 1.537 4.725 1.00 0.69 H new ATOM 0 H2'' DA A 25 -2.315 0.828 4.136 1.00 0.69 H new ATOM 0 HO3' DA A 25 -3.838 3.897 4.333 1.00 0.85 H new ATOM 0 H1' DA A 25 -1.177 0.339 2.235 1.00 0.67 H new ATOM 0 H8 DA A 25 1.015 2.936 1.122 1.00 0.65 H new ATOM 0 H61 DA A 25 5.743 0.121 3.993 1.00 0.88 H new ATOM 0 H62 DA A 25 5.295 1.355 2.811 1.00 0.88 H new ATOM 0 H2 DA A 25 1.920 -1.648 5.514 1.00 0.86 H new TER 717 DA A 25 HETATM 718 C17 BO6 A 101 13.580 -7.767 -6.340 1.00 0.48 C HETATM 719 C18 BO6 A 101 14.549 -6.858 -6.755 1.00 0.50 C HETATM 720 N19 BO6 A 101 14.185 -5.749 -7.517 1.00 0.50 N HETATM 721 C31 BO6 A 101 15.216 -4.781 -7.959 1.00 0.56 C HETATM 722 C20 BO6 A 101 12.848 -5.552 -7.861 1.00 0.48 C HETATM 723 C21 BO6 A 101 11.881 -6.462 -7.445 1.00 0.47 C HETATM 724 C16 BO6 A 101 12.233 -7.577 -6.682 1.00 0.46 C HETATM 725 C15 BO6 A 101 11.292 -8.504 -6.248 1.00 0.50 C HETATM 726 C14 BO6 A 101 11.582 -10.002 -6.101 1.00 0.49 C HETATM 727 C7 BO6 A 101 10.765 -10.873 -5.386 1.00 0.46 C HETATM 728 C6 BO6 A 101 9.432 -10.994 -5.751 1.00 0.39 C HETATM 729 C8 BO6 A 101 11.230 -11.624 -4.331 1.00 0.53 C HETATM 730 C9 BO6 A 101 10.363 -12.474 -3.667 1.00 0.53 C HETATM 731 C2 BO6 A 101 9.082 -12.563 -4.050 1.00 0.45 C HETATM 732 N1 BO6 A 101 8.074 -13.292 -3.580 1.00 0.47 N HETATM 733 C3 BO6 A 101 8.619 -11.830 -5.083 1.00 0.38 C HETATM 734 C4 BO6 A 101 7.328 -12.115 -5.240 1.00 0.38 C HETATM 735 C10 BO6 A 101 6.417 -11.661 -6.117 1.00 0.41 C HETATM 736 C5 BO6 A 101 6.990 -13.026 -4.304 1.00 0.42 C HETATM 737 C13 BO6 A 101 5.738 -13.497 -4.229 1.00 0.46 C HETATM 738 C12 BO6 A 101 4.774 -13.052 -5.116 1.00 0.49 C HETATM 739 C11 BO6 A 101 5.109 -12.125 -6.072 1.00 0.48 C HETATM 740 C22 BO6 A 101 4.180 -11.645 -6.988 1.00 0.58 C HETATM 741 C23 BO6 A 101 4.017 -10.157 -7.325 1.00 0.54 C HETATM 742 C24 BO6 A 101 2.912 -9.635 -7.989 1.00 0.47 C HETATM 743 C25 BO6 A 101 1.646 -10.182 -7.731 1.00 0.47 C HETATM 744 C26 BO6 A 101 0.516 -9.687 -8.376 1.00 0.45 C HETATM 745 N27 BO6 A 101 0.635 -8.637 -9.286 1.00 0.43 N HETATM 746 C30 BO6 A 101 -0.566 -8.110 -9.973 1.00 0.50 C HETATM 747 C28 BO6 A 101 1.889 -8.086 -9.549 1.00 0.49 C HETATM 748 C29 BO6 A 101 3.018 -8.583 -8.904 1.00 0.51 C