USER MOD reduce.3.24.130724 H: found=0, std=0, add=221, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 221 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 26:sc= 0.00315 USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 20 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 2.912 14.412 -3.519 1.00 0.50 O ATOM 2 C5' DA A 1 3.099 13.600 -4.680 1.00 0.37 C ATOM 3 C4' DA A 1 1.906 12.673 -4.909 1.00 0.27 C ATOM 4 O4' DA A 1 1.724 11.836 -3.776 1.00 0.27 O ATOM 5 C3' DA A 1 0.588 13.401 -5.110 1.00 0.33 C ATOM 6 O3' DA A 1 0.376 13.615 -6.509 1.00 0.33 O ATOM 7 C2' DA A 1 -0.466 12.434 -4.564 1.00 0.36 C ATOM 8 C1' DA A 1 0.351 11.434 -3.728 1.00 0.34 C ATOM 9 N9 DA A 1 -0.042 11.384 -2.307 1.00 0.44 N ATOM 10 C8 DA A 1 -1.299 11.377 -1.761 1.00 0.58 C ATOM 11 N7 DA A 1 -1.308 11.325 -0.457 1.00 0.67 N ATOM 12 C5 DA A 1 0.041 11.295 -0.116 1.00 0.58 C ATOM 13 C6 DA A 1 0.706 11.238 1.119 1.00 0.61 C ATOM 14 N6 DA A 1 0.071 11.198 2.291 1.00 0.75 N ATOM 15 N1 DA A 1 2.050 11.221 1.096 1.00 0.50 N ATOM 16 C2 DA A 1 2.677 11.261 -0.074 1.00 0.39 C ATOM 17 N3 DA A 1 2.166 11.317 -1.294 1.00 0.35 N ATOM 18 C4 DA A 1 0.818 11.331 -1.237 1.00 0.44 C ATOM 0 H5' DA A 1 4.007 13.007 -4.569 1.00 0.37 H new ATOM 0 H5'' DA A 1 3.240 14.237 -5.553 1.00 0.37 H new ATOM 0 H4' DA A 1 2.146 12.120 -5.817 1.00 0.27 H new ATOM 0 H3' DA A 1 0.557 14.372 -4.616 1.00 0.33 H new ATOM 0 H2' DA A 1 -1.207 12.952 -3.956 1.00 0.36 H new ATOM 0 H2'' DA A 1 -1.006 11.935 -5.369 1.00 0.36 H new ATOM 0 HO5' DA A 1 2.311 13.956 -2.894 1.00 0.50 H new ATOM 0 H1' DA A 1 0.173 10.446 -4.153 1.00 0.34 H new ATOM 0 H8 DA A 1 -2.200 11.411 -2.356 1.00 0.58 H new ATOM 0 H61 DA A 1 0.605 11.157 3.159 1.00 0.75 H new ATOM 0 H62 DA A 1 -0.949 11.208 2.319 1.00 0.75 H new ATOM 0 H2 DA A 1 3.756 11.246 -0.023 1.00 0.39 H new ATOM 31 P DI A 2 -1.000 14.257 -7.047 1.00 0.37 P ATOM 32 OP1 DI A 2 -0.699 15.042 -8.266 1.00 0.43 O ATOM 33 OP2 DI A 2 -1.688 14.900 -5.905 1.00 0.43 O ATOM 34 O5' DI A 2 -1.845 12.958 -7.479 1.00 0.35 O ATOM 35 C5' DI A 2 -1.257 11.961 -8.319 1.00 0.29 C ATOM 36 C4' DI A 2 -2.301 10.984 -8.851 1.00 0.28 C ATOM 37 O4' DI A 2 -3.053 10.453 -7.759 1.00 0.29 O ATOM 38 C3' DI A 2 -3.299 11.618 -9.826 1.00 0.34 C ATOM 39 O3' DI A 2 -3.175 11.004 -11.116 1.00 0.34 O ATOM 40 C2' DI A 2 -4.683 11.321 -9.247 1.00 0.36 C ATOM 41 C1' DI A 2 -4.403 10.275 -8.178 1.00 0.32 C ATOM 42 N9 DI A 2 -5.257 10.402 -6.984 1.00 0.32 N ATOM 43 C8 DI A 2 -4.952 10.954 -5.768 1.00 0.34 C ATOM 44 N7 DI A 2 -5.932 10.921 -4.910 1.00 0.34 N ATOM 45 C5 DI A 2 -6.966 10.301 -5.606 1.00 0.31 C ATOM 46 C6 DI A 2 -8.285 9.989 -5.185 1.00 0.31 C ATOM 47 O6 DI A 2 -8.812 10.201 -4.095 1.00 0.32 O ATOM 48 N1 DI A 2 -9.001 9.368 -6.197 1.00 0.30 N ATOM 49 C2 DI A 2 -8.502 9.088 -7.450 1.00 0.29 C ATOM 50 N3 DI A 2 -7.276 9.371 -7.857 1.00 0.29 N ATOM 51 C4 DI A 2 -6.561 9.980 -6.880 1.00 0.30 C ATOM 0 H5'' DI A 2 -0.750 12.443 -9.155 1.00 0.29 H new ATOM 0 H2'' DI A 2 -5.141 12.215 -8.824 1.00 0.36 H new ATOM 0 H8 DI A 2 -3.976 11.383 -5.539 1.00 0.34 H new ATOM 0 H5' DI A 2 -0.499 11.414 -7.759 1.00 0.29 H new ATOM 0 H4' DI A 2 -1.745 10.216 -9.388 1.00 0.28 H new ATOM 0 H3' DI A 2 -3.126 12.688 -9.945 1.00 0.34 H new ATOM 0 H2' DI A 2 -5.365 10.944 -10.009 1.00 0.36 H new ATOM 0 H2 DI A 2 -9.168 8.596 -8.159 1.00 0.29 H new ATOM 0 H1' DI A 2 -4.603 9.297 -8.615 1.00 0.32 H new ATOM 0 H1 DI A 2 -9.965 9.100 -6.000 1.00 0.30 H new ATOM 62 P DG A 3 -3.178 9.400 -11.281 1.00 0.32 P ATOM 63 OP1 DG A 3 -3.434 9.080 -12.703 1.00 0.35 O ATOM 64 OP2 DG A 3 -4.046 8.828 -10.228 1.00 0.34 O ATOM 65 O5' DG A 3 -1.653 9.013 -10.944 1.00 0.25 O ATOM 66 C5' DG A 3 -0.575 9.621 -11.663 1.00 0.23 C ATOM 67 C4' DG A 3 0.779 9.121 -11.169 1.00 0.17 C ATOM 68 O4' DG A 3 0.865 9.300 -9.751 1.00 0.18 O ATOM 69 C3' DG A 3 1.024 7.645 -11.449 1.00 0.15 C ATOM 70 O3' DG A 3 2.418 7.427 -11.700 1.00 0.18 O ATOM 71 C2' DG A 3 0.618 6.966 -10.151 1.00 0.16 C ATOM 72 C1' DG A 3 1.009 8.021 -9.123 1.00 0.16 C ATOM 73 N9 DG A 3 0.164 8.021 -7.914 1.00 0.20 N ATOM 74 C8 DG A 3 -1.203 8.049 -7.826 1.00 0.22 C ATOM 75 N7 DG A 3 -1.656 8.039 -6.604 1.00 0.26 N ATOM 76 C5 DG A 3 -0.505 8.001 -5.821 1.00 0.26 C ATOM 77 C6 DG A 3 -0.367 7.974 -4.407 1.00 0.30 C ATOM 78 O6 DG A 3 -1.253 7.980 -3.554 1.00 0.35 O ATOM 79 N1 DG A 3 0.968 7.939 -4.026 1.00 0.30 N ATOM 80 C2 DG A 3 2.038 7.930 -4.896 1.00 0.27 C ATOM 81 N2 DG A 3 3.250 7.893 -4.341 1.00 0.30 N ATOM 82 N3 DG A 3 1.910 7.955 -6.226 1.00 0.23 N ATOM 83 C4 DG A 3 0.614 7.989 -6.616 1.00 0.22 C ATOM 0 H5' DG A 3 -0.627 10.704 -11.551 1.00 0.23 H new ATOM 0 H5'' DG A 3 -0.678 9.405 -12.726 1.00 0.23 H new ATOM 0 H4' DG A 3 1.527 9.701 -11.710 1.00 0.17 H new ATOM 0 H3' DG A 3 0.477 7.273 -12.315 1.00 0.15 H new ATOM 0 H2' DG A 3 -0.448 6.740 -10.122 1.00 0.16 H new ATOM 0 H2'' DG A 3 1.148 6.026 -9.996 1.00 0.16 H new ATOM 0 H1' DG A 3 2.027 7.801 -8.802 1.00 0.16 H new ATOM 0 H8 DG A 3 -1.848 8.077 -8.692 1.00 0.22 H new ATOM 0 H1 DG A 3 1.173 7.918 -3.027 1.00 0.30 H new ATOM 0 H21 DG A 3 4.081 7.885 -4.932 1.00 0.30 H new ATOM 0 H22 DG A 3 3.346 7.873 -3.326 1.00 0.30 H new ATOM 95 P DG A 4 2.957 5.968 -12.120 1.00 0.21 P ATOM 96 OP1 DG A 4 3.779 6.112 -13.341 1.00 0.33 O ATOM 97 OP2 DG A 4 1.810 5.033 -12.108 1.00 0.23 O ATOM 98 O5' DG A 4 3.932 5.585 -10.896 1.00 0.19 O ATOM 99 C5' DG A 4 5.173 6.273 -10.715 1.00 0.21 C ATOM 100 C4' DG A 4 5.817 5.927 -9.376 1.00 0.19 C ATOM 101 O4' DG A 4 4.878 6.160 -8.328 1.00 0.19 O ATOM 102 C3' DG A 4 6.277 4.469 -9.262 1.00 0.16 C ATOM 103 O3' DG A 4 7.691 4.432 -9.045 1.00 0.19 O ATOM 104 C2' DG A 4 5.556 3.912 -8.037 1.00 0.15 C ATOM 105 C1' DG A 4 5.052 5.160 -7.331 1.00 0.18 C ATOM 106 N9 DG A 4 3.755 4.976 -6.656 1.00 0.17 N ATOM 107 C8 DG A 4 2.508 4.889 -7.214 1.00 0.17 C ATOM 108 N7 DG A 4 1.551 4.722 -6.346 1.00 0.18 N ATOM 109 C5 DG A 4 2.210 4.697 -5.123 1.00 0.18 C ATOM 110 C6 DG A 4 1.687 4.542 -3.811 1.00 0.20 C ATOM 111 O6 DG A 4 0.515 4.395 -3.472 1.00 0.22 O ATOM 112 N1 DG A 4 2.695 4.573 -2.856 1.00 0.20 N ATOM 113 C2 DG A 4 4.038 4.733 -3.129 1.00 0.21 C ATOM 114 N2 DG A 4 4.859 4.738 -2.080 1.00 0.26 N ATOM 115 N3 DG A 4 4.530 4.880 -4.361 1.00 0.20 N ATOM 116 C4 DG A 4 3.562 4.852 -5.304 1.00 0.17 C ATOM 0 H5' DG A 4 5.005 7.348 -10.771 1.00 0.21 H new ATOM 0 H5'' DG A 4 5.855 6.014 -11.525 1.00 0.21 H new ATOM 0 H4' DG A 4 6.700 6.561 -9.298 1.00 0.19 H new ATOM 0 H3' DG A 4 6.056 3.896 -10.162 1.00 0.16 H new ATOM 0 H2' DG A 4 4.737 3.250 -8.319 1.00 0.15 H new ATOM 0 H2'' DG A 4 6.228 3.335 -7.402 1.00 0.15 H new ATOM 0 H1' DG A 4 5.780 5.424 -6.564 1.00 0.18 H new ATOM 0 H8 DG A 4 2.333 4.953 -8.278 1.00 0.17 H new ATOM 0 H1 DG A 4 2.422 4.470 -1.879 1.00 0.20 H new ATOM 0 H21 DG A 4 5.863 4.853 -2.219 1.00 0.26 H new ATOM 0 H22 DG A 4 4.484 4.627 -1.138 1.00 0.26 H new ATOM 128 P DG A 5 8.447 3.026 -8.831 1.00 0.17 P ATOM 129 OP1 DG A 5 9.872 3.206 -9.184 1.00 0.23 O ATOM 130 OP2 DG A 5 7.652 1.970 -9.495 1.00 0.20 O ATOM 131 O5' DG A 5 8.344 2.807 -7.239 1.00 0.15 O ATOM 132 C5' DG A 5 9.088 3.637 -6.343 1.00 0.21 C ATOM 133 C4' DG A 5 9.035 3.107 -4.912 1.00 0.22 C ATOM 134 O4' DG A 5 7.675 3.065 -4.465 1.00 0.21 O ATOM 135 C3' DG A 5 9.606 1.694 -4.755 1.00 0.21 C ATOM 136 O3' DG A 5 10.466 1.653 -3.610 1.00 0.27 O ATOM 137 C2' DG A 5 8.381 0.821 -4.509 1.00 0.19 C ATOM 138 C1' DG A 5 7.451 1.809 -3.829 1.00 0.19 C ATOM 139 N9 DG A 5 6.016 1.487 -3.955 1.00 0.15 N ATOM 140 C8 DG A 5 5.242 1.439 -5.086 1.00 0.14 C ATOM 141 N7 DG A 5 3.991 1.156 -4.856 1.00 0.12 N ATOM 142 C5 DG A 5 3.928 1.004 -3.475 1.00 0.12 C ATOM 143 C6 DG A 5 2.818 0.690 -2.641 1.00 0.12 C ATOM 144 O6 DG A 5 1.651 0.488 -2.970 1.00 0.16 O ATOM 145 N1 DG A 5 3.187 0.629 -1.303 1.00 0.13 N ATOM 146 C2 DG A 5 4.464 0.843 -0.825 1.00 0.13 C ATOM 147 N2 DG A 5 4.629 0.739 0.494 1.00 0.14 N ATOM 148 N3 DG A 5 5.506 1.139 -1.607 1.00 0.14 N ATOM 149 C4 DG A 5 5.165 1.203 -2.915 1.00 0.13 C ATOM 0 H5' DG A 5 8.691 4.652 -6.371 1.00 0.21 H new ATOM 0 H5'' DG A 5 10.125 3.692 -6.673 1.00 0.21 H new ATOM 0 H4' DG A 5 9.647 3.789 -4.322 1.00 0.22 H new ATOM 0 H3' DG A 5 10.186 1.371 -5.619 1.00 0.21 H new ATOM 0 H2' DG A 5 7.961 0.430 -5.436 1.00 0.19 H new ATOM 0 H2'' DG A 5 8.607 -0.036 -3.875 1.00 0.19 H new ATOM 0 H1' DG A 5 7.671 1.796 -2.762 1.00 0.19 H new ATOM 0 H8 DG A 5 5.633 1.619 -6.076 1.00 0.14 H new ATOM 0 H1 DG A 5 2.459 0.410 -0.623 1.00 0.13 H new ATOM 0 H21 DG A 5 5.550 0.886 0.906 1.00 0.14 H new ATOM 0 H22 DG A 5 3.834 0.512 1.091 1.00 0.14 H new ATOM 161 P DA A 6 11.989 2.171 -3.710 1.00 0.28 P ATOM 162 OP1 DA A 6 12.521 1.786 -5.036 1.00 0.27 O ATOM 163 OP2 DA A 6 12.701 1.751 -2.482 1.00 0.37 O ATOM 164 O5' DA A 6 11.832 3.774 -3.676 1.00 0.37 O ATOM 165 C5' DA A 6 12.752 4.601 -4.393 1.00 0.30 C ATOM 166 C4' DA A 6 12.799 6.023 -3.832 1.00 0.27 C ATOM 167 O4' DA A 6 13.726 6.803 -4.595 1.00 0.34 O ATOM 168 C3' DA A 6 11.463 6.757 -3.886 1.00 0.29 C ATOM 169 O3' DA A 6 11.382 7.700 -2.809 1.00 0.32 O ATOM 170 C2' DA A 6 11.536 7.498 -5.207 1.00 0.31 C ATOM 171 C1' DA A 6 13.015 7.856 -5.259 1.00 0.29 C ATOM 172 N9 DA A 6 13.565 7.976 -6.624 1.00 0.31 N ATOM 173 C8 DA A 6 13.299 7.213 -7.732 1.00 0.43 C ATOM 174 N7 DA A 6 13.960 7.578 -8.795 1.00 0.50 N ATOM 175 C5 DA A 6 14.720 8.660 -8.361 1.00 0.40 C ATOM 176 C6 DA A 6 15.640 9.497 -9.011 1.00 0.44 C ATOM 177 N6 DA A 6 15.963 9.366 -10.298 1.00 0.56 N ATOM 178 N1 DA A 6 16.210 10.472 -8.282 1.00 0.43 N ATOM 179 C2 DA A 6 15.885 10.596 -7.001 1.00 0.43 C ATOM 180 N3 DA A 6 15.040 9.877 -6.280 1.00 0.38 N ATOM 181 C4 DA A 6 14.484 8.909 -7.038 1.00 0.32 C ATOM 0 H5' DA A 6 12.466 4.635 -5.444 1.00 0.30 H new ATOM 0 H5'' DA A 6 13.748 4.160 -4.348 1.00 0.30 H new ATOM 0 H4' DA A 6 13.089 5.915 -2.787 1.00 0.27 H new ATOM 0 H3' DA A 6 10.601 6.096 -3.802 1.00 0.29 H new ATOM 0 H2' DA A 6 11.233 6.873 -6.047 1.00 0.31 H new ATOM 0 H2'' DA A 6 10.897 8.381 -5.220 1.00 0.31 H new ATOM 0 H1' DA A 6 13.128 8.833 -4.789 1.00 0.29 H new ATOM 0 H8 DA A 6 12.605 6.385 -7.725 1.00 0.43 H new ATOM 0 H61 DA A 6 16.639 10.002 -10.722 1.00 0.56 H new ATOM 0 H62 DA A 6 15.535 8.630 -10.859 1.00 0.56 H new ATOM 0 H2 DA A 6 16.380 11.397 -6.472 1.00 0.43 H new ATOM 193 P DG A 7 11.580 7.231 -1.282 1.00 0.37 P ATOM 194 OP1 DG A 7 13.029 7.085 -1.026 1.00 0.43 O ATOM 195 OP2 DG A 7 10.667 6.096 -1.025 1.00 0.42 O ATOM 196 O5' DG A 7 11.046 8.501 -0.449 1.00 0.37 O ATOM 197 C5' DG A 7 9.649 8.809 -0.405 1.00 0.30 C ATOM 198 C4' DG A 7 8.976 8.227 0.837 1.00 0.25 C ATOM 199 O4' DG A 7 7.586 8.575 0.833 1.00 0.24 O ATOM 200 C3' DG A 7 9.064 6.705 0.931 1.00 0.25 C ATOM 201 O3' DG A 7 9.336 6.324 2.285 1.00 0.25 O ATOM 202 C2' DG A 7 7.675 6.228 0.531 1.00 0.25 C ATOM 203 C1' DG A 7 6.807 7.388 0.993 1.00 0.23 C ATOM 204 N9 DG A 7 5.568 7.561 0.213 1.00 0.25 N ATOM 205 C8 DG A 7 5.428 7.756 -1.136 1.00 0.27 C ATOM 206 N7 DG A 7 4.193 7.904 -1.525 1.00 0.28 N ATOM 207 C5 DG A 7 3.457 7.800 -0.349 1.00 0.27 C ATOM 208 C6 DG A 7 2.053 7.881 -0.146 1.00 0.29 C ATOM 209 O6 DG A 7 1.170 8.060 -0.983 1.00 0.32 O ATOM 210 N1 DG A 7 1.724 7.724 1.194 1.00 0.29 N ATOM 211 C2 DG A 7 2.626 7.511 2.210 1.00 0.28 C ATOM 212 N2 DG A 7 2.110 7.375 3.432 1.00 0.28 N ATOM 213 N3 DG A 7 3.948 7.435 2.023 1.00 0.26 N ATOM 214 C4 DG A 7 4.290 7.588 0.722 1.00 0.26 C ATOM 0 H5' DG A 7 9.163 8.418 -1.298 1.00 0.30 H new ATOM 0 H5'' DG A 7 9.515 9.891 -0.417 1.00 0.30 H new ATOM 0 H4' DG A 7 9.509 8.648 1.689 1.00 0.25 H new ATOM 0 H3' DG A 7 9.851 6.284 0.305 1.00 0.25 H new ATOM 0 H2' DG A 7 7.594 6.058 -0.543 1.00 0.25 H new ATOM 0 H2'' DG A 7 7.405 5.293 1.023 1.00 0.25 H new ATOM 0 H1' DG A 7 6.507 7.186 2.021 1.00 0.23 H new ATOM 0 H8 DG A 7 6.266 7.785 -1.816 1.00 0.27 H new ATOM 0 H1 DG A 7 0.736 7.770 1.444 1.00 0.29 H new ATOM 0 H21 DG A 7 2.725 7.215 4.230 1.00 0.28 H new ATOM 0 H22 DG A 7 1.101 7.431 3.569 1.00 0.28 H new ATOM 226 P DG A 8 9.948 4.872 2.615 1.00 0.28 P ATOM 227 OP1 DG A 8 9.847 4.643 4.073 1.00 0.34 O ATOM 228 OP2 DG A 8 11.258 4.754 1.937 1.00 0.42 O ATOM 229 O5' DG A 8 8.912 3.886 1.878 1.00 0.24 O ATOM 230 C5' DG A 8 8.659 2.579 2.398 1.00 0.21 C ATOM 231 C4' DG A 8 8.010 2.639 3.778 1.00 0.22 C ATOM 232 O4' DG A 8 6.865 3.493 3.736 1.00 0.22 O ATOM 233 C3' DG A 8 7.509 1.294 4.271 1.00 0.20 C ATOM 234 O3' DG A 8 7.416 1.309 5.703 1.00 0.22 O ATOM 235 C2' DG A 8 6.125 1.221 3.651 1.00 0.17 C ATOM 236 C1' DG A 8 5.681 2.680 3.716 1.00 0.18 C ATOM 237 N9 DG A 8 4.868 3.111 2.564 1.00 0.18 N ATOM 238 C8 DG A 8 5.283 3.415 1.295 1.00 0.19 C ATOM 239 N7 DG A 8 4.317 3.754 0.490 1.00 0.20 N ATOM 240 C5 DG A 8 3.177 3.672 1.280 1.00 0.18 C ATOM 241 C6 DG A 8 1.820 3.928 0.944 1.00 0.19 C ATOM 242 O6 DG A 8 1.356 4.281 -0.139 1.00 0.21 O ATOM 243 N1 DG A 8 0.980 3.728 2.030 1.00 0.18 N ATOM 244 C2 DG A 8 1.389 3.331 3.285 1.00 0.17 C ATOM 245 N2 DG A 8 0.430 3.194 4.202 1.00 0.19 N ATOM 246 N3 DG A 8 2.667 3.090 3.604 1.00 0.17 N ATOM 247 C4 DG A 8 3.502 3.281 2.554 1.00 0.16 C ATOM 0 H5' DG A 8 9.595 2.024 2.459 1.00 0.21 H new ATOM 0 H5'' DG A 8 8.009 2.034 1.713 1.00 0.21 H new ATOM 0 H4' DG A 8 8.789 3.001 4.449 1.00 0.22 H new ATOM 0 H3' DG A 8 8.150 0.452 4.009 1.00 0.20 H new ATOM 0 H2' DG A 8 6.154 0.847 2.628 1.00 0.17 H new ATOM 0 H2'' DG A 8 5.459 0.565 4.212 1.00 0.17 H new ATOM 0 H1' DG A 8 5.061 2.787 4.606 1.00 0.18 H new ATOM 0 H8 DG A 8 6.318 3.377 0.989 1.00 0.19 H new ATOM 0 H1 DG A 8 -0.018 3.887 1.889 1.00 0.18 H new ATOM 0 H21 DG A 8 0.669 2.903 5.150 1.00 0.19 H new ATOM 0 H22 DG A 8 -0.542 3.381 3.955 1.00 0.19 H new ATOM 259 P DG A 9 6.967 -0.010 6.515 1.00 0.23 P ATOM 260 OP1 DG A 9 7.415 0.132 7.919 1.00 0.30 O ATOM 261 OP2 DG A 9 7.371 -1.196 5.729 1.00 0.23 O ATOM 262 O5' DG A 9 5.359 0.090 6.485 1.00 0.21 O ATOM 263 C5' DG A 9 4.553 -1.075 6.689 1.00 0.26 C ATOM 264 C4' DG A 9 3.070 -0.722 6.796 1.00 0.15 C ATOM 265 O4' DG A 9 2.646 -0.051 5.604 1.00 0.23 O ATOM 266 C3' DG A 9 2.159 -1.935 6.983 1.00 0.21 C ATOM 267 O3' DG A 9 1.174 -1.638 7.979 1.00 0.28 O ATOM 268 C2' DG A 9 1.491 -2.116 5.626 1.00 0.18 C ATOM 269 C1' DG A 9 1.471 -0.691 5.100 1.00 0.17 C ATOM 270 N9 DG A 9 1.512 -0.586 3.629 1.00 0.14 N ATOM 271 C8 DG A 9 2.599 -0.676 2.802 1.00 0.16 C ATOM 272 N7 DG A 9 2.326 -0.492 1.545 1.00 0.17 N ATOM 273 C5 DG A 9 0.958 -0.265 1.529 1.00 0.15 C ATOM 274 C6 DG A 9 0.098 -0.003 0.432 1.00 0.16 C ATOM 275 O6 DG A 9 0.394 0.095 -0.758 1.00 0.19 O ATOM 276 N1 DG A 9 -1.216 0.161 0.844 1.00 0.20 N ATOM 277 C2 DG A 9 -1.652 0.084 2.150 1.00 0.23 C ATOM 278 N2 DG A 9 -2.960 0.264 2.347 1.00 0.30 N ATOM 279 N3 DG A 9 -0.842 -0.158 3.187 1.00 0.21 N ATOM 280 C4 DG A 9 0.445 -0.323 2.802 1.00 0.15 C ATOM 0 H5' DG A 9 4.873 -1.585 7.598 1.00 0.26 H new ATOM 0 H5'' DG A 9 4.703 -1.771 5.864 1.00 0.26 H new ATOM 0 H4' DG A 9 2.981 -0.091 7.681 1.00 0.15 H new ATOM 0 H3' DG A 9 2.696 -2.828 7.304 1.00 0.21 H new ATOM 0 H2' DG A 9 2.057 -2.784 4.977 1.00 0.18 H new ATOM 0 H2'' DG A 9 0.488 -2.533 5.716 1.00 0.18 H new ATOM 0 H1' DG A 9 0.535 -0.236 5.424 1.00 0.17 H new ATOM 0 H8 DG A 9 3.596 -0.882 3.163 1.00 0.16 H new ATOM 0 H1 DG A 9 -1.914 0.353 0.125 1.00 0.20 H new ATOM 0 H21 DG A 9 -3.345 0.219 3.291 1.00 0.30 H new ATOM 0 H22 DG A 9 -3.575 0.446 1.554 1.00 0.30 H new ATOM 292 P DI A 10 1.554 -1.703 9.542 1.00 0.35 P ATOM 293 OP1 DI A 10 2.245 -2.986 9.798 1.00 0.43 O ATOM 294 OP2 DI A 10 0.349 -1.346 10.326 1.00 0.47 O ATOM 295 O5' DI A 10 2.627 -0.512 9.701 1.00 0.32 O ATOM 296 C5' DI A 10 2.268 0.707 10.360 1.00 0.29 C ATOM 297 C4' DI A 10 3.483 1.606 10.583 1.00 0.24 C ATOM 298 O4' DI A 10 4.031 2.000 9.318 1.00 0.22 O ATOM 299 C3' DI A 10 3.169 2.891 11.359 1.00 0.25 C ATOM 300 O3' DI A 10 4.176 3.105 12.357 1.00 0.22 O ATOM 301 C2' DI A 10 3.249 3.984 10.306 1.00 0.27 C ATOM 302 C1' DI A 10 4.283 3.402 9.362 1.00 0.22 C ATOM 303 N9 DI A 10 4.206 3.925 7.986 1.00 0.24 N ATOM 304 C8 DI A 10 3.109 4.041 7.175 1.00 0.29 C ATOM 305 N7 DI A 10 3.366 4.562 6.009 1.00 0.31 N ATOM 306 C5 DI A 10 4.734 4.808 6.046 1.00 0.28 C ATOM 307 C6 DI A 10 5.584 5.370 5.055 1.00 0.31 C ATOM 308 O6 DI A 10 5.289 5.768 3.931 1.00 0.36 O ATOM 309 N1 DI A 10 6.894 5.438 5.499 1.00 0.29 N ATOM 310 C2 DI A 10 7.323 5.018 6.738 1.00 0.25 C ATOM 311 N3 DI A 10 6.547 4.495 7.672 1.00 0.22 N ATOM 312 C4 DI A 10 5.259 4.420 7.254 1.00 0.24 C ATOM 0 H5'' DI A 10 1.526 1.238 9.764 1.00 0.29 H new ATOM 0 H2'' DI A 10 2.291 4.154 9.814 1.00 0.27 H new ATOM 0 H8 DI A 10 2.110 3.726 7.478 1.00 0.29 H new ATOM 0 H5' DI A 10 1.803 0.479 11.319 1.00 0.29 H new ATOM 0 H4' DI A 10 4.182 1.013 11.174 1.00 0.24 H new ATOM 0 H3' DI A 10 2.204 2.860 11.865 1.00 0.25 H new ATOM 0 H2' DI A 10 3.565 4.939 10.726 1.00 0.27 H new ATOM 0 H2 DI A 10 8.383 5.125 6.966 1.00 0.25 H new ATOM 0 H1' DI A 10 5.273 3.668 9.733 1.00 0.22 H new ATOM 0 H1 DI A 10 7.590 5.827 4.863 1.00 0.29 H new ATOM 323 P DC A 11 3.944 4.170 13.544 1.00 0.31 P ATOM 324 OP1 DC A 11 4.350 3.536 14.817 1.00 0.40 O ATOM 325 OP2 DC A 11 2.582 4.732 13.401 1.00 0.39 O ATOM 326 O5' DC A 11 5.005 5.334 13.200 1.00 0.40 O ATOM 327 C5' DC A 11 4.667 6.383 12.287 1.00 0.35 C ATOM 328 C4' DC A 11 5.022 7.757 12.851 1.00 0.27 C ATOM 329 O4' DC A 11 6.435 7.848 13.041 1.00 0.28 O ATOM 330 C3' DC A 11 4.610 8.922 11.944 1.00 0.24 C ATOM 331 O3' DC A 11 3.701 9.775 12.644 1.00 0.18 O ATOM 332 C2' DC A 11 5.903 9.681 11.651 1.00 0.25 C ATOM 333 C1' DC A 11 6.842 9.178 12.735 1.00 0.22 C ATOM 334 N1 DC A 11 8.261 9.133 12.329 1.00 0.28 N ATOM 335 C2 DC A 11 9.174 9.802 13.128 1.00 0.28 C ATOM 336 O2 DC A 11 8.793 10.394 14.135 1.00 0.27 O ATOM 337 N3 DC A 11 10.486 9.782 12.765 1.00 0.35 N ATOM 338 C4 DC A 11 10.885 9.133 11.664 1.00 0.42 C ATOM 339 N4 DC A 11 12.177 9.133 11.336 1.00 0.51 N ATOM 340 C5 DC A 11 9.945 8.440 10.836 1.00 0.44 C ATOM 341 C6 DC A 11 8.651 8.465 11.204 1.00 0.37 C ATOM 0 H5' DC A 11 3.600 6.344 12.067 1.00 0.35 H new ATOM 0 H5'' DC A 11 5.193 6.229 11.345 1.00 0.35 H new ATOM 0 H4' DC A 11 4.470 7.843 13.787 1.00 0.27 H new ATOM 0 H3' DC A 11 4.119 8.580 11.033 1.00 0.24 H new ATOM 0 H2' DC A 11 6.283 9.462 10.653 1.00 0.25 H new ATOM 0 H2'' DC A 11 5.760 10.760 11.708 1.00 0.25 H new ATOM 0 H1' DC A 11 6.780 9.868 13.577 1.00 0.22 H new ATOM 0 H41 DC A 11 12.491 8.641 10.499 1.00 0.51 H new ATOM 0 H42 DC A 11 12.852 9.625 11.922 1.00 0.51 H new ATOM 0 H5 DC A 11 10.263 7.916 9.947 1.00 0.44 H new ATOM 0 H6 DC A 11 7.914 7.952 10.604 1.00 0.37 H new ATOM 353 P DT A 12 2.910 10.935 11.858 1.00 0.17 P ATOM 354 OP1 DT A 12 3.843 11.567 10.899 1.00 0.26 O ATOM 355 OP2 DT A 12 2.198 11.768 12.854 1.00 0.18 O ATOM 356 O5' DT A 12 1.813 10.104 11.021 1.00 0.19 O ATOM 357 C5' DT A 12 0.432 10.155 11.385 1.00 0.18 C ATOM 358 C4' DT A 12 -0.302 8.874 10.997 1.00 0.13 C ATOM 359 O4' DT A 12 -0.161 8.644 9.588 1.00 0.15 O ATOM 360 C3' DT A 12 0.231 7.623 11.694 1.00 0.15 C ATOM 361 O3' DT A 12 -0.812 6.648 11.845 1.00 0.17 O ATOM 362 C2' DT A 12 1.260 7.107 10.704 1.00 0.16 C ATOM 363 C1' DT A 12 0.564 7.422 9.390 1.00 0.14 C ATOM 364 N1 DT A 12 1.471 7.615 8.248 1.00 0.16 N ATOM 365 C2 DT A 12 1.631 6.552 7.381 1.00 0.19 C ATOM 366 O2 DT A 12 1.056 5.479 7.549 1.00 0.23 O ATOM 367 N3 DT A 12 2.476 6.767 6.311 1.00 0.21 N ATOM 368 C4 DT A 12 3.165 7.934 6.039 1.00 0.22 C ATOM 369 O4 DT A 12 3.896 8.016 5.054 1.00 0.25 O ATOM 370 C5 DT A 12 2.935 8.988 6.996 1.00 0.22 C ATOM 371 C7 DT A 12 3.623 10.333 6.802 1.00 0.24 C ATOM 372 C6 DT A 12 2.115 8.803 8.051 1.00 0.18 C ATOM 0 H5' DT A 12 -0.041 11.007 10.898 1.00 0.18 H new ATOM 0 H5'' DT A 12 0.345 10.313 12.460 1.00 0.18 H new ATOM 0 H4' DT A 12 -1.337 9.030 11.300 1.00 0.13 H new ATOM 0 H3' DT A 12 0.626 7.822 12.690 1.00 0.15 H new ATOM 0 H2' DT A 12 2.218 7.618 10.798 1.00 0.16 H new ATOM 0 H2'' DT A 12 1.454 6.041 10.825 1.00 0.16 H new ATOM 0 H1' DT A 12 -0.064 6.566 9.141 1.00 0.14 H new ATOM 0 H3 DT A 12 2.604 5.992 5.660 1.00 0.21 H new ATOM 0 H71 DT A 12 3.000 11.124 7.219 1.00 0.24 H new ATOM 0 H72 DT A 12 4.587 10.325 7.310 1.00 0.24 H new ATOM 0 H73 DT A 12 3.775 10.514 5.738 1.00 0.24 H new ATOM 0 H6 DT A 12 1.965 9.610 8.753 1.00 0.18 H new ATOM 385 P DG A 13 -2.249 7.044 12.456 1.00 0.14 P ATOM 386 OP1 DG A 13 -2.238 8.490 12.769 1.00 0.15 O ATOM 387 OP2 DG A 13 -2.591 6.065 13.510 1.00 0.19 O ATOM 388 O5' DG A 13 -3.233 6.807 11.204 1.00 0.12 O ATOM 389 C5' DG A 13 -3.030 7.512 9.976 1.00 0.12 C ATOM 390 C4' DG A 13 -3.767 6.848 8.820 1.00 0.11 C ATOM 391 O4' DG A 13 -3.455 7.519 7.600 1.00 0.15 O ATOM 392 C3' DG A 13 -3.405 5.374 8.621 1.00 0.08 C ATOM 393 O3' DG A 13 -4.504 4.559 9.036 1.00 0.13 O ATOM 394 C2' DG A 13 -3.172 5.210 7.115 1.00 0.09 C ATOM 395 C1' DG A 13 -3.542 6.573 6.538 1.00 0.11 C ATOM 396 N9 DG A 13 -2.644 7.019 5.455 1.00 0.12 N ATOM 397 C8 DG A 13 -1.285 7.199 5.478 1.00 0.13 C ATOM 398 N7 DG A 13 -0.778 7.564 4.331 1.00 0.16 N ATOM 399 C5 DG A 13 -1.884 7.634 3.487 1.00 0.17 C ATOM 400 C6 DG A 13 -1.961 7.979 2.109 1.00 0.20 C ATOM 401 O6 DG A 13 -1.048 8.296 1.351 1.00 0.24 O ATOM 402 N1 DG A 13 -3.267 7.924 1.643 1.00 0.21 N ATOM 403 C2 DG A 13 -4.364 7.581 2.405 1.00 0.19 C ATOM 404 N2 DG A 13 -5.540 7.586 1.782 1.00 0.23 N ATOM 405 N3 DG A 13 -4.294 7.255 3.696 1.00 0.16 N ATOM 406 C4 DG A 13 -3.029 7.303 4.169 1.00 0.14 C ATOM 0 H5' DG A 13 -1.964 7.555 9.752 1.00 0.12 H new ATOM 0 H5'' DG A 13 -3.374 8.540 10.085 1.00 0.12 H new ATOM 0 H4' DG A 13 -4.825 6.912 9.075 1.00 0.11 H new ATOM 0 H3' DG A 13 -2.529 5.080 9.199 1.00 0.08 H new ATOM 0 H2' DG A 13 -2.136 4.951 6.897 1.00 0.09 H new ATOM 0 H2'' DG A 13 -3.793 4.417 6.698 1.00 0.09 H new ATOM 0 H1' DG A 13 -4.542 6.493 6.111 1.00 0.11 H new ATOM 0 H8 DG A 13 -0.687 7.052 6.365 1.00 0.13 H new ATOM 0 H1 DG A 13 -3.428 8.155 0.663 1.00 0.21 H new ATOM 0 H21 DG A 13 -6.389 7.341 2.292 1.00 0.23 H new ATOM 0 H22 DG A 13 -5.593 7.835 0.794 1.00 0.23 H new ATOM 418 P DG A 14 -4.434 2.956 8.904 1.00 0.18 P ATOM 419 OP1 DG A 14 -5.230 2.363 10.001 1.00 0.30 O ATOM 420 OP2 DG A 14 -3.017 2.567 8.724 1.00 0.22 O ATOM 421 O5' DG A 14 -5.209 2.692 7.519 1.00 0.20 O ATOM 422 C5' DG A 14 -6.552 3.150 7.349 1.00 0.25 C ATOM 423 C4' DG A 14 -7.024 2.977 5.910 1.00 0.22 C ATOM 424 O4' DG A 14 -6.108 3.631 5.024 1.00 0.19 O ATOM 425 C3' DG A 14 -7.123 1.514 5.459 1.00 0.20 C ATOM 426 O3' DG A 14 -8.391 1.301 4.832 1.00 0.31 O ATOM 427 C2' DG A 14 -6.007 1.359 4.437 1.00 0.19 C ATOM 428 C1' DG A 14 -5.893 2.774 3.909 1.00 0.13 C ATOM 429 N9 DG A 14 -4.578 3.099 3.324 1.00 0.12 N ATOM 430 C8 DG A 14 -3.356 3.192 3.942 1.00 0.11 C ATOM 431 N7 DG A 14 -2.377 3.483 3.130 1.00 0.12 N ATOM 432 C5 DG A 14 -2.995 3.591 1.885 1.00 0.13 C ATOM 433 C6 DG A 14 -2.438 3.892 0.610 1.00 0.16 C ATOM 434 O6 DG A 14 -1.266 4.123 0.326 1.00 0.19 O ATOM 435 N1 DG A 14 -3.413 3.901 -0.381 1.00 0.19 N ATOM 436 C2 DG A 14 -4.753 3.655 -0.176 1.00 0.20 C ATOM 437 N2 DG A 14 -5.535 3.710 -1.253 1.00 0.24 N ATOM 438 N3 DG A 14 -5.276 3.371 1.019 1.00 0.17 N ATOM 439 C4 DG A 14 -4.342 3.358 1.998 1.00 0.13 C ATOM 0 H5' DG A 14 -6.617 4.201 7.630 1.00 0.25 H new ATOM 0 H5'' DG A 14 -7.213 2.599 8.018 1.00 0.25 H new ATOM 0 H4' DG A 14 -8.024 3.410 5.874 1.00 0.22 H new ATOM 0 H3' DG A 14 -7.034 0.805 6.282 1.00 0.20 H new ATOM 0 H2' DG A 14 -5.078 1.013 4.891 1.00 0.19 H new ATOM 0 H2'' DG A 14 -6.263 0.647 3.653 1.00 0.19 H new ATOM 0 H1' DG A 14 -6.619 2.896 3.105 1.00 0.13 H new ATOM 0 H8 DG A 14 -3.218 3.039 5.002 1.00 0.11 H new ATOM 0 H1 DG A 14 -3.113 4.106 -1.334 1.00 0.19 H new ATOM 0 H21 DG A 14 -6.536 3.537 -1.166 1.00 0.24 H new ATOM 0 H22 DG A 14 -5.132 3.925 -2.165 1.00 0.24 H new ATOM 451 P DG A 15 -8.836 -0.174 4.368 1.00 0.26 P ATOM 452 OP1 DG A 15 -10.037 -0.562 5.141 1.00 0.46 O ATOM 453 OP2 DG A 15 -7.639 -1.043 4.377 1.00 0.31 O ATOM 454 O5' DG A 15 -9.275 0.062 2.839 1.00 0.30 O ATOM 455 C5' DG A 15 -10.327 0.978 2.519 1.00 0.28 C ATOM 456 C4' DG A 15 -10.509 1.111 1.011 1.00 0.14 C ATOM 457 O4' DG A 15 -9.276 1.546 0.424 1.00 0.27 O ATOM 458 C3' DG A 15 -10.895 -0.199 0.327 1.00 0.26 C ATOM 459 O3' DG A 15 -11.820 0.042 -0.750 1.00 0.30 O ATOM 460 C2' DG A 15 -9.577 -0.724 -0.223 1.00 0.42 C ATOM 461 C1' DG A 15 -8.835 0.570 -0.525 1.00 0.33 C ATOM 462 N9 DG A 15 -7.368 0.466 -0.413 1.00 0.33 N ATOM 463 C8 DG A 15 -6.603 0.219 0.699 1.00 0.36 C ATOM 464 N7 DG A 15 -5.319 0.202 0.464 1.00 0.39 N ATOM 465 C5 DG A 15 -5.226 0.454 -0.903 1.00 0.37 C ATOM 466 C6 DG A 15 -4.078 0.554 -1.736 1.00 0.39 C ATOM 467 O6 DG A 15 -2.897 0.438 -1.425 1.00 0.44 O ATOM 468 N1 DG A 15 -4.427 0.819 -3.054 1.00 0.37 N ATOM 469 C2 DG A 15 -5.717 0.968 -3.517 1.00 0.34 C ATOM 470 N2 DG A 15 -5.852 1.219 -4.819 1.00 0.35 N ATOM 471 N3 DG A 15 -6.796 0.874 -2.736 1.00 0.33 N ATOM 472 C4 DG A 15 -6.476 0.616 -1.446 1.00 0.34 C ATOM 0 H5' DG A 15 -10.104 1.955 2.948 1.00 0.28 H new ATOM 0 H5'' DG A 15 -11.258 0.637 2.971 1.00 0.28 H new ATOM 0 H4' DG A 15 -11.319 1.826 0.864 1.00 0.14 H new ATOM 0 H3' DG A 15 -11.384 -0.897 1.006 1.00 0.26 H new ATOM 0 H2' DG A 15 -9.047 -1.341 0.503 1.00 0.42 H new ATOM 0 H2'' DG A 15 -9.719 -1.333 -1.116 1.00 0.42 H new ATOM 0 H1' DG A 15 -9.054 0.833 -1.560 1.00 0.33 H new ATOM 0 H8 DG A 15 -7.025 0.054 1.679 1.00 0.36 H new ATOM 0 H1 DG A 15 -3.670 0.910 -3.732 1.00 0.37 H new ATOM 0 H21 DG A 15 -6.781 1.339 -5.222 1.00 0.35 H new ATOM 0 H22 DG A 15 -5.026 1.291 -5.413 1.00 0.35 H new ATOM 484 P DA A 16 -11.865 1.441 -1.557 1.00 0.35 P ATOM 485 OP1 DA A 16 -12.893 1.330 -2.615 1.00 0.46 O ATOM 486 OP2 DA A 16 -10.483 1.824 -1.915 1.00 0.39 O ATOM 487 O5' DA A 16 -12.404 2.474 -0.445 1.00 0.27 O ATOM 488 C5' DA A 16 -13.652 2.242 0.214 1.00 0.23 C ATOM 489 C4' DA A 16 -14.482 3.520 0.326 1.00 0.25 C ATOM 490 O4' DA A 16 -15.704 3.232 1.017 1.00 0.31 O ATOM 491 C3' DA A 16 -13.791 4.648 1.093 1.00 0.30 C ATOM 492 O3' DA A 16 -14.127 5.906 0.496 1.00 0.31 O ATOM 493 C2' DA A 16 -14.401 4.560 2.480 1.00 0.39 C ATOM 494 C1' DA A 16 -15.812 4.102 2.146 1.00 0.37 C ATOM 495 N9 DA A 16 -16.492 3.355 3.223 1.00 0.41 N ATOM 496 C8 DA A 16 -15.961 2.494 4.153 1.00 0.58 C ATOM 497 N7 DA A 16 -16.844 1.986 4.968 1.00 0.55 N ATOM 498 C5 DA A 16 -18.046 2.547 4.549 1.00 0.44 C ATOM 499 C6 DA A 16 -19.367 2.411 5.005 1.00 0.56 C ATOM 500 N6 DA A 16 -19.708 1.631 6.030 1.00 0.58 N ATOM 501 N1 DA A 16 -20.318 3.110 4.362 1.00 0.78 N ATOM 502 C2 DA A 16 -19.970 3.886 3.341 1.00 0.81 C ATOM 503 N3 DA A 16 -18.771 4.096 2.822 1.00 0.62 N ATOM 504 C4 DA A 16 -17.841 3.382 3.487 1.00 0.43 C ATOM 0 H5' DA A 16 -13.468 1.840 1.210 1.00 0.23 H new ATOM 0 H5'' DA A 16 -14.218 1.488 -0.334 1.00 0.23 H new ATOM 0 H4' DA A 16 -14.642 3.857 -0.698 1.00 0.25 H new ATOM 0 H3' DA A 16 -12.704 4.566 1.098 1.00 0.30 H new ATOM 0 H2' DA A 16 -13.876 3.848 3.117 1.00 0.39 H new ATOM 0 H2'' DA A 16 -14.390 5.519 2.997 1.00 0.39 H new ATOM 0 H1' DA A 16 -16.409 4.997 1.971 1.00 0.37 H new ATOM 0 H8 DA A 16 -14.908 2.259 4.205 1.00 0.58 H new ATOM 0 H61 DA A 16 -20.684 1.568 6.321 1.00 0.58 H new ATOM 0 H62 DA A 16 -18.993 1.097 6.524 1.00 0.58 H new ATOM 0 H2 DA A 16 -20.780 4.421 2.868 1.00 0.81 H new ATOM 516 P DG A 17 -13.237 7.218 0.786 1.00 0.35 P ATOM 517 OP1 DG A 17 -12.204 6.869 1.786 1.00 0.44 O ATOM 518 OP2 DG A 17 -14.154 8.352 1.038 1.00 0.45 O ATOM 519 O5' DG A 17 -12.508 7.464 -0.629 1.00 0.27 O ATOM 520 C5' DG A 17 -11.896 6.375 -1.325 1.00 0.24 C ATOM 521 C4' DG A 17 -11.340 6.811 -2.677 1.00 0.24 C ATOM 522 O4' DG A 17 -10.254 7.718 -2.477 1.00 0.21 O ATOM 523 C3' DG A 17 -10.826 5.651 -3.527 1.00 0.26 C ATOM 524 O3' DG A 17 -11.358 5.759 -4.851 1.00 0.33 O ATOM 525 C2' DG A 17 -9.312 5.826 -3.560 1.00 0.23 C ATOM 526 C1' DG A 17 -9.144 7.310 -3.278 1.00 0.19 C ATOM 527 N9 DG A 17 -7.924 7.625 -2.520 1.00 0.17 N ATOM 528 C8 DG A 17 -7.777 7.740 -1.166 1.00 0.16 C ATOM 529 N7 DG A 17 -6.558 7.985 -0.785 1.00 0.17 N ATOM 530 C5 DG A 17 -5.839 8.038 -1.975 1.00 0.18 C ATOM 531 C6 DG A 17 -4.454 8.271 -2.189 1.00 0.20 C ATOM 532 O6 DG A 17 -3.576 8.473 -1.352 1.00 0.24 O ATOM 533 N1 DG A 17 -4.139 8.243 -3.541 1.00 0.21 N ATOM 534 C2 DG A 17 -5.040 8.018 -4.560 1.00 0.21 C ATOM 535 N2 DG A 17 -4.548 8.030 -5.799 1.00 0.24 N ATOM 536 N3 DG A 17 -6.344 7.796 -4.359 1.00 0.20 N ATOM 537 C4 DG A 17 -6.669 7.821 -3.045 1.00 0.18 C ATOM 0 H5' DG A 17 -12.627 5.580 -1.471 1.00 0.24 H new ATOM 0 H5'' DG A 17 -11.092 5.961 -0.717 1.00 0.24 H new ATOM 0 H4' DG A 17 -12.170 7.276 -3.209 1.00 0.24 H new ATOM 0 H3' DG A 17 -11.117 4.679 -3.128 1.00 0.26 H new ATOM 0 H2' DG A 17 -8.816 5.212 -2.808 1.00 0.23 H new ATOM 0 H2'' DG A 17 -8.893 5.547 -4.527 1.00 0.23 H new ATOM 0 H1' DG A 17 -9.082 7.823 -4.238 1.00 0.19 H new ATOM 0 H8 DG A 17 -8.600 7.637 -0.474 1.00 0.16 H new ATOM 0 H1 DG A 17 -3.165 8.401 -3.800 1.00 0.21 H new ATOM 0 H21 DG A 17 -5.166 7.870 -6.595 1.00 0.24 H new ATOM 0 H22 DG A 17 -3.554 8.199 -5.951 1.00 0.24 H new ATOM 549 P DG A 18 -11.265 4.517 -5.871 1.00 0.38 P ATOM 550 OP1 DG A 18 -12.322 4.676 -6.895 1.00 0.50 O ATOM 551 OP2 DG A 18 -11.192 3.272 -5.074 1.00 0.48 O ATOM 552 O5' DG A 18 -9.838 4.746 -6.579 1.00 0.26 O ATOM 553 C5' DG A 18 -9.684 5.741 -7.594 1.00 0.24 C ATOM 554 C4' DG A 18 -8.383 5.551 -8.369 1.00 0.20 C ATOM 555 O4' DG A 18 -7.268 5.734 -7.489 1.00 0.18 O ATOM 556 C3' DG A 18 -8.241 4.163 -8.997 1.00 0.20 C ATOM 557 O3' DG A 18 -7.715 4.290 -10.323 1.00 0.33 O ATOM 558 C2' DG A 18 -7.233 3.459 -8.103 1.00 0.17 C ATOM 559 C1' DG A 18 -6.380 4.627 -7.645 1.00 0.16 C ATOM 560 N9 DG A 18 -5.694 4.412 -6.358 1.00 0.13 N ATOM 561 C8 DG A 18 -6.238 4.127 -5.133 1.00 0.14 C ATOM 562 N7 DG A 18 -5.359 4.008 -4.178 1.00 0.16 N ATOM 563 C5 DG A 18 -4.141 4.228 -4.814 1.00 0.15 C ATOM 564 C6 DG A 18 -2.823 4.227 -4.282 1.00 0.18 C ATOM 565 O6 DG A 18 -2.469 4.027 -3.122 1.00 0.23 O ATOM 566 N1 DG A 18 -1.878 4.494 -5.263 1.00 0.18 N ATOM 567 C2 DG A 18 -2.164 4.733 -6.593 1.00 0.16 C ATOM 568 N2 DG A 18 -1.123 4.970 -7.389 1.00 0.19 N ATOM 569 N3 DG A 18 -3.403 4.735 -7.093 1.00 0.15 N ATOM 570 C4 DG A 18 -4.337 4.477 -6.149 1.00 0.13 C ATOM 0 H5' DG A 18 -9.697 6.732 -7.139 1.00 0.24 H new ATOM 0 H5'' DG A 18 -10.529 5.695 -8.282 1.00 0.24 H new ATOM 0 H4' DG A 18 -8.404 6.289 -9.171 1.00 0.20 H new ATOM 0 H3' DG A 18 -9.187 3.626 -9.070 1.00 0.20 H new ATOM 0 H2' DG A 18 -7.711 2.946 -7.268 1.00 0.17 H new ATOM 0 H2'' DG A 18 -6.652 2.713 -8.645 1.00 0.17 H new ATOM 0 H1' DG A 18 -5.596 4.780 -8.387 1.00 0.16 H new ATOM 0 H8 DG A 18 -7.300 4.011 -4.973 1.00 0.14 H new ATOM 0 H1 DG A 18 -0.898 4.515 -4.980 1.00 0.18 H new ATOM 0 H21 DG A 18 -1.271 5.153 -8.381 1.00 0.19 H new ATOM 0 H22 DG A 18 -0.178 4.968 -7.006 1.00 0.19 H new ATOM 582 P DG A 19 -7.349 2.981 -11.186 1.00 0.39 P ATOM 583 OP1 DG A 19 -7.643 3.264 -12.609 1.00 0.53 O ATOM 584 OP2 DG A 19 -7.962 1.806 -10.527 1.00 0.39 O ATOM 585 O5' DG A 19 -5.752 2.878 -11.011 1.00 0.34 O ATOM 586 C5' DG A 19 -4.891 3.825 -11.651 1.00 0.36 C ATOM 587 C4' DG A 19 -3.420 3.458 -11.472 1.00 0.34 C ATOM 588 O4' DG A 19 -3.095 3.443 -10.081 1.00 0.31 O ATOM 589 C3' DG A 19 -3.050 2.083 -12.042 1.00 0.35 C ATOM 590 O3' DG A 19 -1.917 2.217 -12.907 1.00 0.39 O ATOM 591 C2' DG A 19 -2.672 1.249 -10.821 1.00 0.34 C ATOM 592 C1' DG A 19 -2.257 2.320 -9.829 1.00 0.32 C ATOM 593 N9 DG A 19 -2.431 1.936 -8.417 1.00 0.30 N ATOM 594 C8 DG A 19 -3.591 1.658 -7.741 1.00 0.33 C ATOM 595 N7 DG A 19 -3.414 1.363 -6.485 1.00 0.33 N ATOM 596 C5 DG A 19 -2.037 1.449 -6.311 1.00 0.29 C ATOM 597 C6 DG A 19 -1.252 1.233 -5.146 1.00 0.29 C ATOM 598 O6 DG A 19 -1.629 0.919 -4.019 1.00 0.31 O ATOM 599 N1 DG A 19 0.100 1.423 -5.402 1.00 0.26 N ATOM 600 C2 DG A 19 0.632 1.777 -6.625 1.00 0.25 C ATOM 601 N2 DG A 19 1.956 1.912 -6.678 1.00 0.25 N ATOM 602 N3 DG A 19 -0.106 1.980 -7.721 1.00 0.26 N ATOM 603 C4 DG A 19 -1.426 1.799 -7.489 1.00 0.28 C ATOM 0 H5' DG A 19 -5.072 4.818 -11.239 1.00 0.36 H new ATOM 0 H5'' DG A 19 -5.128 3.873 -12.714 1.00 0.36 H new ATOM 0 H4' DG A 19 -2.859 4.214 -12.022 1.00 0.34 H new ATOM 0 H3' DG A 19 -3.859 1.633 -12.617 1.00 0.35 H new ATOM 0 H2' DG A 19 -3.510 0.656 -10.455 1.00 0.34 H new ATOM 0 H2'' DG A 19 -1.860 0.554 -11.036 1.00 0.34 H new ATOM 0 H1' DG A 19 -1.193 2.513 -9.967 1.00 0.32 H new ATOM 0 H8 DG A 19 -4.564 1.682 -8.208 1.00 0.33 H new ATOM 0 H1 DG A 19 0.749 1.291 -4.627 1.00 0.26 H new ATOM 0 H21 DG A 19 2.407 2.172 -7.555 1.00 0.25 H new ATOM 0 H22 DG A 19 2.518 1.755 -5.842 1.00 0.25 H new ATOM 615 P DC A 20 -1.196 0.916 -13.524 1.00 0.40 P ATOM 616 OP1 DC A 20 -0.538 1.308 -14.790 1.00 0.42 O ATOM 617 OP2 DC A 20 -2.167 -0.201 -13.512 1.00 0.41 O ATOM 618 O5' DC A 20 -0.050 0.599 -12.437 1.00 0.48 O ATOM 619 C5' DC A 20 0.984 1.554 -12.184 1.00 0.51 C ATOM 620 C4' DC A 20 2.052 0.998 -11.245 1.00 0.53 C ATOM 621 O4' DC A 20 1.443 0.572 -10.025 1.00 0.52 O ATOM 622 C3' DC A 20 2.823 -0.200 -11.816 1.00 0.55 C ATOM 623 O3' DC A 20 4.221 0.088 -11.916 1.00 0.72 O ATOM 624 C2' DC A 20 2.565 -1.338 -10.825 1.00 0.78 C ATOM 625 C1' DC A 20 2.116 -0.597 -9.575 1.00 0.63 C ATOM 626 N1 DC A 20 1.181 -1.356 -8.719 1.00 0.58 N ATOM 627 C2 DC A 20 1.516 -1.494 -7.380 1.00 0.54 C ATOM 628 O2 DC A 20 2.554 -0.996 -6.951 1.00 0.58 O ATOM 629 N3 DC A 20 0.669 -2.187 -6.571 1.00 0.51 N ATOM 630 C4 DC A 20 -0.460 -2.723 -7.054 1.00 0.54 C ATOM 631 N4 DC A 20 -1.268 -3.397 -6.235 1.00 0.59 N ATOM 632 C5 DC A 20 -0.810 -2.583 -8.433 1.00 0.59 C ATOM 633 C6 DC A 20 0.034 -1.895 -9.226 1.00 0.59 C ATOM 0 H5' DC A 20 0.549 2.453 -11.748 1.00 0.51 H new ATOM 0 H5'' DC A 20 1.446 1.848 -13.127 1.00 0.51 H new ATOM 0 H4' DC A 20 2.762 1.811 -11.094 1.00 0.53 H new ATOM 0 H3' DC A 20 2.498 -0.453 -12.825 1.00 0.55 H new ATOM 0 H2' DC A 20 1.799 -2.024 -11.186 1.00 0.78 H new ATOM 0 H2'' DC A 20 3.463 -1.929 -10.645 1.00 0.78 H new ATOM 0 HO3' DC A 20 4.690 -0.691 -12.281 1.00 0.72 H new ATOM 0 H1' DC A 20 2.999 -0.402 -8.966 1.00 0.63 H new ATOM 0 H41 DC A 20 -2.130 -3.809 -6.594 1.00 0.59 H new ATOM 0 H42 DC A 20 -1.024 -3.501 -5.250 1.00 0.59 H new ATOM 0 H5 DC A 20 -1.719 -3.014 -8.825 1.00 0.59 H new ATOM 0 H6 DC A 20 -0.199 -1.769 -10.273 1.00 0.59 H new TER 646 DC A 20