USER MOD reduce.3.24.130724 H: found=0, std=0, add=257, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 257 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 2:sc= -0.0817! USER MOD Single : A 15 DT C7 :methyl 150:sc= -1.55 (180deg=-1.55) USER MOD Single : A 16 DT C7 :methyl -30:sc= -4.58! (180deg=-8.79!) USER MOD Single : A 23 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -1.938 2.279 5.983 1.00 0.54 O ATOM 2 C5' DG A 1 -2.338 1.954 7.321 1.00 0.47 C ATOM 3 C4' DG A 1 -2.159 0.477 7.645 1.00 0.32 C ATOM 4 O4' DG A 1 -2.934 -0.349 6.746 1.00 0.27 O ATOM 5 C3' DG A 1 -0.699 0.051 7.522 1.00 0.29 C ATOM 6 O3' DG A 1 -0.069 -0.044 8.808 1.00 0.29 O ATOM 7 C2' DG A 1 -0.731 -1.272 6.818 1.00 0.19 C ATOM 8 C1' DG A 1 -2.135 -1.462 6.283 1.00 0.16 C ATOM 9 N9 DG A 1 -2.106 -1.518 4.811 1.00 0.16 N ATOM 10 C8 DG A 1 -2.402 -2.543 3.976 1.00 0.21 C ATOM 11 N7 DG A 1 -2.243 -2.346 2.710 1.00 0.20 N ATOM 12 C5 DG A 1 -1.782 -1.026 2.680 1.00 0.17 C ATOM 13 C6 DG A 1 -1.417 -0.211 1.574 1.00 0.16 C ATOM 14 O6 DG A 1 -1.427 -0.496 0.380 1.00 0.18 O ATOM 15 N1 DG A 1 -1.011 1.053 1.986 1.00 0.15 N ATOM 16 C2 DG A 1 -0.959 1.482 3.298 1.00 0.14 C ATOM 17 N2 DG A 1 -0.546 2.733 3.494 1.00 0.16 N ATOM 18 N3 DG A 1 -1.298 0.721 4.341 1.00 0.12 N ATOM 19 C4 DG A 1 -1.699 -0.513 3.965 1.00 0.15 C ATOM 0 H5' DG A 1 -3.384 2.228 7.460 1.00 0.47 H new ATOM 0 H5'' DG A 1 -1.756 2.549 8.025 1.00 0.47 H new ATOM 0 H4' DG A 1 -2.499 0.343 8.672 1.00 0.32 H new ATOM 0 H3' DG A 1 -0.110 0.782 6.968 1.00 0.29 H new ATOM 0 H2' DG A 1 -0.004 -1.293 6.006 1.00 0.19 H new ATOM 0 H2'' DG A 1 -0.468 -2.078 7.503 1.00 0.19 H new ATOM 0 HO5' DG A 1 -1.644 1.465 5.523 1.00 0.54 H new ATOM 0 H1' DG A 1 -2.566 -2.398 6.639 1.00 0.16 H new ATOM 0 H8 DG A 1 -2.758 -3.490 4.355 1.00 0.21 H new ATOM 0 H1 DG A 1 -0.730 1.715 1.263 1.00 0.15 H new ATOM 0 H21 DG A 1 -0.486 3.108 4.441 1.00 0.16 H new ATOM 0 H22 DG A 1 -0.290 3.316 2.697 1.00 0.16 H new ATOM 32 P DG A 2 -0.634 -1.028 9.953 1.00 0.15 P ATOM 33 OP1 DG A 2 -2.098 -1.157 9.774 1.00 0.22 O ATOM 34 OP2 DG A 2 -0.086 -0.587 11.254 1.00 0.16 O ATOM 35 O5' DG A 2 0.044 -2.436 9.572 1.00 0.22 O ATOM 36 C5' DG A 2 -0.757 -3.620 9.468 1.00 0.18 C ATOM 37 C4' DG A 2 -0.259 -4.564 8.384 1.00 0.14 C ATOM 38 O4' DG A 2 -0.179 -3.903 7.102 1.00 0.13 O ATOM 39 C3' DG A 2 1.133 -5.096 8.703 1.00 0.09 C ATOM 40 O3' DG A 2 1.065 -6.433 9.211 1.00 0.10 O ATOM 41 C2' DG A 2 1.883 -5.040 7.395 1.00 0.10 C ATOM 42 C1' DG A 2 0.936 -4.450 6.370 1.00 0.11 C ATOM 43 N9 DG A 2 1.614 -3.428 5.552 1.00 0.11 N ATOM 44 C8 DG A 2 2.200 -2.269 5.931 1.00 0.12 C ATOM 45 N7 DG A 2 2.726 -1.537 5.010 1.00 0.13 N ATOM 46 C5 DG A 2 2.470 -2.290 3.862 1.00 0.10 C ATOM 47 C6 DG A 2 2.803 -2.020 2.509 1.00 0.08 C ATOM 48 O6 DG A 2 3.374 -1.033 2.050 1.00 0.12 O ATOM 49 N1 DG A 2 2.371 -3.039 1.664 1.00 0.09 N ATOM 50 C2 DG A 2 1.697 -4.173 2.065 1.00 0.13 C ATOM 51 N2 DG A 2 1.374 -5.038 1.097 1.00 0.21 N ATOM 52 N3 DG A 2 1.375 -4.432 3.341 1.00 0.12 N ATOM 53 C4 DG A 2 1.791 -3.454 4.183 1.00 0.10 C ATOM 0 H5' DG A 2 -1.789 -3.340 9.256 1.00 0.18 H new ATOM 0 H5'' DG A 2 -0.758 -4.140 10.426 1.00 0.18 H new ATOM 0 H4' DG A 2 -0.979 -5.382 8.345 1.00 0.14 H new ATOM 0 H3' DG A 2 1.630 -4.509 9.476 1.00 0.09 H new ATOM 0 H2' DG A 2 2.780 -4.428 7.490 1.00 0.10 H new ATOM 0 H2'' DG A 2 2.208 -6.036 7.093 1.00 0.10 H new ATOM 0 H1' DG A 2 0.589 -5.210 5.670 1.00 0.11 H new ATOM 0 H8 DG A 2 2.226 -1.968 6.968 1.00 0.12 H new ATOM 0 H1 DG A 2 2.569 -2.938 0.668 1.00 0.09 H new ATOM 0 H21 DG A 2 0.875 -5.897 1.327 1.00 0.21 H new ATOM 0 H22 DG A 2 1.627 -4.838 0.129 1.00 0.21 H new ATOM 65 P DG A 3 2.401 -7.310 9.399 1.00 0.12 P ATOM 66 OP1 DG A 3 2.092 -8.439 10.305 1.00 0.23 O ATOM 67 OP2 DG A 3 3.518 -6.393 9.714 1.00 0.14 O ATOM 68 O5' DG A 3 2.631 -7.898 7.921 1.00 0.18 O ATOM 69 C5' DG A 3 1.584 -8.623 7.263 1.00 0.18 C ATOM 70 C4' DG A 3 1.888 -8.878 5.794 1.00 0.12 C ATOM 71 O4' DG A 3 2.056 -7.632 5.079 1.00 0.17 O ATOM 72 C3' DG A 3 3.171 -9.690 5.633 1.00 0.09 C ATOM 73 O3' DG A 3 2.892 -10.967 5.049 1.00 0.06 O ATOM 74 C2' DG A 3 4.054 -8.869 4.735 1.00 0.12 C ATOM 75 C1' DG A 3 3.220 -7.712 4.235 1.00 0.12 C ATOM 76 N9 DG A 3 3.990 -6.461 4.262 1.00 0.11 N ATOM 77 C8 DG A 3 4.462 -5.752 5.312 1.00 0.18 C ATOM 78 N7 DG A 3 5.101 -4.657 5.055 1.00 0.23 N ATOM 79 C5 DG A 3 5.057 -4.628 3.655 1.00 0.16 C ATOM 80 C6 DG A 3 5.584 -3.677 2.741 1.00 0.17 C ATOM 81 O6 DG A 3 6.208 -2.648 2.984 1.00 0.29 O ATOM 82 N1 DG A 3 5.317 -4.036 1.424 1.00 0.14 N ATOM 83 C2 DG A 3 4.628 -5.165 1.033 1.00 0.19 C ATOM 84 N2 DG A 3 4.485 -5.347 -0.275 1.00 0.28 N ATOM 85 N3 DG A 3 4.130 -6.059 1.885 1.00 0.20 N ATOM 86 C4 DG A 3 4.378 -5.732 3.170 1.00 0.13 C ATOM 0 H5' DG A 3 0.652 -8.065 7.346 1.00 0.18 H new ATOM 0 H5'' DG A 3 1.432 -9.576 7.770 1.00 0.18 H new ATOM 0 H4' DG A 3 1.043 -9.433 5.386 1.00 0.12 H new ATOM 0 H3' DG A 3 3.649 -9.888 6.593 1.00 0.09 H new ATOM 0 H2' DG A 3 4.928 -8.509 5.278 1.00 0.12 H new ATOM 0 H2'' DG A 3 4.421 -9.468 3.902 1.00 0.12 H new ATOM 0 H1' DG A 3 2.923 -7.869 3.198 1.00 0.12 H new ATOM 0 H8 DG A 3 4.311 -6.087 6.327 1.00 0.18 H new ATOM 0 H1 DG A 3 5.658 -3.415 0.690 1.00 0.14 H new ATOM 0 H21 DG A 3 3.985 -6.164 -0.624 1.00 0.28 H new ATOM 0 H22 DG A 3 4.876 -4.670 -0.930 1.00 0.28 H new ATOM 98 P DC A 4 4.064 -12.053 4.856 1.00 0.12 P ATOM 99 OP1 DC A 4 3.448 -13.331 4.436 1.00 0.17 O ATOM 100 OP2 DC A 4 4.935 -12.011 6.051 1.00 0.15 O ATOM 101 O5' DC A 4 4.891 -11.459 3.609 1.00 0.19 O ATOM 102 C5' DC A 4 6.129 -12.053 3.212 1.00 0.25 C ATOM 103 C4' DC A 4 6.786 -11.271 2.075 1.00 0.22 C ATOM 104 O4' DC A 4 5.940 -11.266 0.904 1.00 0.21 O ATOM 105 C3' DC A 4 7.043 -9.822 2.482 1.00 0.19 C ATOM 106 O3' DC A 4 8.445 -9.527 2.477 1.00 0.17 O ATOM 107 C2' DC A 4 6.310 -8.981 1.472 1.00 0.17 C ATOM 108 C1' DC A 4 5.777 -9.920 0.409 1.00 0.17 C ATOM 109 N1 DC A 4 4.358 -9.636 0.113 1.00 0.14 N ATOM 110 C2 DC A 4 4.068 -8.961 -1.065 1.00 0.14 C ATOM 111 O2 DC A 4 4.978 -8.609 -1.812 1.00 0.20 O ATOM 112 N3 DC A 4 2.764 -8.704 -1.358 1.00 0.14 N ATOM 113 C4 DC A 4 1.783 -9.093 -0.533 1.00 0.13 C ATOM 114 N4 DC A 4 0.516 -8.826 -0.852 1.00 0.21 N ATOM 115 C5 DC A 4 2.076 -9.789 0.682 1.00 0.10 C ATOM 116 C6 DC A 4 3.371 -10.037 0.964 1.00 0.12 C ATOM 0 H5' DC A 4 5.955 -13.081 2.895 1.00 0.25 H new ATOM 0 H5'' DC A 4 6.805 -12.093 4.066 1.00 0.25 H new ATOM 0 H4' DC A 4 7.732 -11.763 1.852 1.00 0.22 H new ATOM 0 H3' DC A 4 6.695 -9.624 3.496 1.00 0.19 H new ATOM 0 H2' DC A 4 5.495 -8.434 1.946 1.00 0.17 H new ATOM 0 H2'' DC A 4 6.977 -8.240 1.031 1.00 0.17 H new ATOM 0 H1' DC A 4 6.325 -9.787 -0.524 1.00 0.17 H new ATOM 0 H41 DC A 4 -0.239 -9.118 -0.231 1.00 0.21 H new ATOM 0 H42 DC A 4 0.302 -8.330 -1.717 1.00 0.21 H new ATOM 0 H5 DC A 4 1.288 -10.105 1.350 1.00 0.10 H new ATOM 0 H6 DC A 4 3.629 -10.559 1.874 1.00 0.12 H new ATOM 128 P DG A 5 9.334 -9.747 1.153 1.00 0.11 P ATOM 129 OP1 DG A 5 8.421 -9.900 -0.001 1.00 0.18 O ATOM 130 OP2 DG A 5 10.343 -10.791 1.439 1.00 0.32 O ATOM 131 O5' DG A 5 10.097 -8.337 1.008 1.00 0.32 O ATOM 132 C5' DG A 5 9.692 -7.385 0.014 1.00 0.23 C ATOM 133 C4' DG A 5 9.559 -5.980 0.578 1.00 0.20 C ATOM 134 O4' DG A 5 8.532 -5.920 1.592 1.00 0.23 O ATOM 135 C3' DG A 5 10.866 -5.525 1.210 1.00 0.18 C ATOM 136 O3' DG A 5 11.493 -4.512 0.417 1.00 0.25 O ATOM 137 C2' DG A 5 10.497 -4.998 2.570 1.00 0.36 C ATOM 138 C1' DG A 5 8.993 -5.128 2.705 1.00 0.29 C ATOM 139 N9 DG A 5 8.631 -5.757 3.990 1.00 0.27 N ATOM 140 C8 DG A 5 8.414 -7.062 4.285 1.00 0.25 C ATOM 141 N7 DG A 5 8.103 -7.358 5.502 1.00 0.27 N ATOM 142 C5 DG A 5 8.110 -6.099 6.111 1.00 0.30 C ATOM 143 C6 DG A 5 7.845 -5.740 7.460 1.00 0.36 C ATOM 144 O6 DG A 5 7.546 -6.473 8.401 1.00 0.39 O ATOM 145 N1 DG A 5 7.958 -4.368 7.654 1.00 0.45 N ATOM 146 C2 DG A 5 8.287 -3.452 6.676 1.00 0.48 C ATOM 147 N2 DG A 5 8.346 -2.176 7.059 1.00 0.60 N ATOM 148 N3 DG A 5 8.537 -3.782 5.404 1.00 0.43 N ATOM 149 C4 DG A 5 8.432 -5.113 5.192 1.00 0.33 C ATOM 0 H5' DG A 5 8.738 -7.694 -0.414 1.00 0.23 H new ATOM 0 H5'' DG A 5 10.419 -7.380 -0.798 1.00 0.23 H new ATOM 0 H4' DG A 5 9.296 -5.328 -0.255 1.00 0.20 H new ATOM 0 H3' DG A 5 11.584 -6.342 1.281 1.00 0.18 H new ATOM 0 H2' DG A 5 11.004 -5.562 3.352 1.00 0.36 H new ATOM 0 H2'' DG A 5 10.805 -3.958 2.677 1.00 0.36 H new ATOM 0 H1' DG A 5 8.521 -4.145 2.694 1.00 0.29 H new ATOM 0 H8 DG A 5 8.498 -7.828 3.528 1.00 0.25 H new ATOM 0 H1 DG A 5 7.784 -4.010 8.593 1.00 0.45 H new ATOM 0 H21 DG A 5 8.584 -1.451 6.382 1.00 0.60 H new ATOM 0 H22 DG A 5 8.153 -1.925 8.029 1.00 0.60 H new ATOM 161 P DC A 6 11.736 -4.743 -1.157 1.00 0.30 P ATOM 162 OP1 DC A 6 12.175 -6.142 -1.358 1.00 0.32 O ATOM 163 OP2 DC A 6 12.567 -3.629 -1.665 1.00 0.50 O ATOM 164 O5' DC A 6 10.252 -4.587 -1.767 1.00 0.23 O ATOM 165 C5' DC A 6 10.034 -4.593 -3.181 1.00 0.21 C ATOM 166 C4' DC A 6 10.015 -3.176 -3.757 1.00 0.11 C ATOM 167 O4' DC A 6 9.226 -2.285 -2.932 1.00 0.08 O ATOM 168 C3' DC A 6 11.423 -2.587 -3.843 1.00 0.10 C ATOM 169 O3' DC A 6 11.868 -2.506 -5.205 1.00 0.09 O ATOM 170 C2' DC A 6 11.324 -1.217 -3.224 1.00 0.12 C ATOM 171 C1' DC A 6 9.865 -0.992 -2.891 1.00 0.07 C ATOM 172 N1 DC A 6 9.711 -0.338 -1.567 1.00 0.07 N ATOM 173 C2 DC A 6 9.523 1.037 -1.557 1.00 0.17 C ATOM 174 O2 DC A 6 9.494 1.661 -2.615 1.00 0.27 O ATOM 175 N3 DC A 6 9.373 1.662 -0.358 1.00 0.21 N ATOM 176 C4 DC A 6 9.405 0.970 0.789 1.00 0.13 C ATOM 177 N4 DC A 6 9.254 1.614 1.946 1.00 0.20 N ATOM 178 C5 DC A 6 9.597 -0.446 0.787 1.00 0.11 C ATOM 179 C6 DC A 6 9.747 -1.058 -0.404 1.00 0.11 C ATOM 0 H5' DC A 6 9.088 -5.088 -3.401 1.00 0.21 H new ATOM 0 H5'' DC A 6 10.818 -5.173 -3.668 1.00 0.21 H new ATOM 0 H4' DC A 6 9.580 -3.259 -4.753 1.00 0.11 H new ATOM 0 H3' DC A 6 12.151 -3.211 -3.325 1.00 0.10 H new ATOM 0 H2' DC A 6 11.940 -1.153 -2.327 1.00 0.12 H new ATOM 0 H2'' DC A 6 11.685 -0.454 -3.914 1.00 0.12 H new ATOM 0 H1' DC A 6 9.399 -0.317 -3.609 1.00 0.07 H new ATOM 0 H41 DC A 6 9.277 1.096 2.825 1.00 0.20 H new ATOM 0 H42 DC A 6 9.116 2.625 1.953 1.00 0.20 H new ATOM 0 H5 DC A 6 9.621 -1.007 1.710 1.00 0.11 H new ATOM 0 H6 DC A 6 9.897 -2.127 -0.441 1.00 0.11 H new ATOM 191 P DG A 7 11.051 -1.646 -6.297 1.00 0.13 P ATOM 192 OP1 DG A 7 11.909 -1.483 -7.491 1.00 0.24 O ATOM 193 OP2 DG A 7 10.488 -0.453 -5.627 1.00 0.25 O ATOM 194 O5' DG A 7 9.833 -2.626 -6.684 1.00 0.08 O ATOM 195 C5' DG A 7 8.623 -2.093 -7.241 1.00 0.13 C ATOM 196 C4' DG A 7 7.639 -3.178 -7.658 1.00 0.12 C ATOM 197 O4' DG A 7 7.280 -4.007 -6.525 1.00 0.14 O ATOM 198 C3' DG A 7 6.353 -2.559 -8.199 1.00 0.12 C ATOM 199 O3' DG A 7 5.914 -3.237 -9.384 1.00 0.09 O ATOM 200 C2' DG A 7 5.358 -2.740 -7.100 1.00 0.11 C ATOM 201 C1' DG A 7 5.859 -3.908 -6.282 1.00 0.11 C ATOM 202 N9 DG A 7 5.574 -3.726 -4.851 1.00 0.12 N ATOM 203 C8 DG A 7 4.995 -4.578 -3.972 1.00 0.19 C ATOM 204 N7 DG A 7 4.872 -4.182 -2.752 1.00 0.25 N ATOM 205 C5 DG A 7 5.436 -2.904 -2.807 1.00 0.19 C ATOM 206 C6 DG A 7 5.604 -1.937 -1.779 1.00 0.23 C ATOM 207 O6 DG A 7 5.290 -2.020 -0.594 1.00 0.33 O ATOM 208 N1 DG A 7 6.213 -0.784 -2.261 1.00 0.15 N ATOM 209 C2 DG A 7 6.611 -0.583 -3.567 1.00 0.09 C ATOM 210 N2 DG A 7 7.166 0.596 -3.842 1.00 0.16 N ATOM 211 N3 DG A 7 6.457 -1.488 -4.536 1.00 0.09 N ATOM 212 C4 DG A 7 5.866 -2.618 -4.091 1.00 0.11 C ATOM 0 H5' DG A 7 8.867 -1.478 -8.107 1.00 0.13 H new ATOM 0 H5'' DG A 7 8.148 -1.440 -6.509 1.00 0.13 H new ATOM 0 H4' DG A 7 8.126 -3.777 -8.427 1.00 0.12 H new ATOM 0 H3' DG A 7 6.489 -1.513 -8.475 1.00 0.12 H new ATOM 0 H2' DG A 7 5.280 -1.840 -6.490 1.00 0.11 H new ATOM 0 H2'' DG A 7 4.364 -2.940 -7.501 1.00 0.11 H new ATOM 0 H1' DG A 7 5.351 -4.827 -6.575 1.00 0.11 H new ATOM 0 H8 DG A 7 4.649 -5.553 -4.282 1.00 0.19 H new ATOM 0 H1 DG A 7 6.379 -0.027 -1.597 1.00 0.15 H new ATOM 0 H21 DG A 7 7.480 0.803 -4.790 1.00 0.16 H new ATOM 0 H22 DG A 7 7.277 1.292 -3.105 1.00 0.16 H new ATOM 224 P DG A 8 5.853 -4.850 -9.439 1.00 0.07 P ATOM 225 OP1 DG A 8 7.211 -5.372 -9.168 1.00 0.18 O ATOM 226 OP2 DG A 8 5.150 -5.241 -10.681 1.00 0.10 O ATOM 227 O5' DG A 8 4.908 -5.230 -8.187 1.00 0.16 O ATOM 228 C5' DG A 8 3.487 -5.347 -8.346 1.00 0.15 C ATOM 229 C4' DG A 8 2.897 -6.506 -7.552 1.00 0.11 C ATOM 230 O4' DG A 8 3.186 -6.391 -6.133 1.00 0.11 O ATOM 231 C3' DG A 8 1.381 -6.549 -7.708 1.00 0.10 C ATOM 232 O3' DG A 8 0.962 -7.839 -8.171 1.00 0.08 O ATOM 233 C2' DG A 8 0.847 -6.267 -6.334 1.00 0.10 C ATOM 234 C1' DG A 8 1.967 -6.602 -5.389 1.00 0.08 C ATOM 235 N9 DG A 8 1.919 -5.774 -4.167 1.00 0.13 N ATOM 236 C8 DG A 8 1.729 -6.150 -2.877 1.00 0.12 C ATOM 237 N7 DG A 8 1.756 -5.227 -1.969 1.00 0.12 N ATOM 238 C5 DG A 8 1.992 -4.084 -2.741 1.00 0.14 C ATOM 239 C6 DG A 8 2.133 -2.727 -2.342 1.00 0.17 C ATOM 240 O6 DG A 8 2.082 -2.257 -1.206 1.00 0.23 O ATOM 241 N1 DG A 8 2.361 -1.896 -3.433 1.00 0.20 N ATOM 242 C2 DG A 8 2.444 -2.316 -4.749 1.00 0.20 C ATOM 243 N2 DG A 8 2.658 -1.375 -5.664 1.00 0.22 N ATOM 244 N3 DG A 8 2.313 -3.589 -5.130 1.00 0.18 N ATOM 245 C4 DG A 8 2.091 -4.414 -4.087 1.00 0.15 C ATOM 0 H5' DG A 8 3.254 -5.481 -9.402 1.00 0.15 H new ATOM 0 H5'' DG A 8 3.013 -4.418 -8.030 1.00 0.15 H new ATOM 0 H4' DG A 8 3.353 -7.414 -7.947 1.00 0.11 H new ATOM 0 H3' DG A 8 1.016 -5.828 -8.440 1.00 0.10 H new ATOM 0 H2' DG A 8 0.550 -5.223 -6.235 1.00 0.10 H new ATOM 0 H2'' DG A 8 -0.036 -6.871 -6.125 1.00 0.10 H new ATOM 0 H1' DG A 8 1.893 -7.631 -5.038 1.00 0.08 H new ATOM 0 H8 DG A 8 1.561 -7.184 -2.616 1.00 0.12 H new ATOM 0 H1 DG A 8 2.476 -0.899 -3.249 1.00 0.20 H new ATOM 0 H21 DG A 8 2.728 -1.628 -6.650 1.00 0.22 H new ATOM 0 H22 DG A 8 2.752 -0.400 -5.380 1.00 0.22 H new ATOM 257 P DG A 9 1.379 -9.176 -7.370 1.00 0.07 P ATOM 258 OP1 DG A 9 2.777 -9.034 -6.908 1.00 0.12 O ATOM 259 OP2 DG A 9 0.989 -10.345 -8.190 1.00 0.13 O ATOM 260 O5' DG A 9 0.416 -9.122 -6.084 1.00 0.05 O ATOM 261 C5' DG A 9 -0.999 -9.248 -6.252 1.00 0.10 C ATOM 262 C4' DG A 9 -1.762 -9.088 -4.947 1.00 0.05 C ATOM 263 O4' DG A 9 -1.307 -7.925 -4.223 1.00 0.06 O ATOM 264 C3' DG A 9 -3.262 -8.927 -5.201 1.00 0.08 C ATOM 265 O3' DG A 9 -3.999 -10.013 -4.628 1.00 0.13 O ATOM 266 C2' DG A 9 -3.637 -7.625 -4.550 1.00 0.10 C ATOM 267 C1' DG A 9 -2.444 -7.193 -3.728 1.00 0.08 C ATOM 268 N9 DG A 9 -2.222 -5.738 -3.816 1.00 0.06 N ATOM 269 C8 DG A 9 -2.050 -4.943 -4.902 1.00 0.06 C ATOM 270 N7 DG A 9 -1.844 -3.681 -4.695 1.00 0.06 N ATOM 271 C5 DG A 9 -1.881 -3.617 -3.297 1.00 0.05 C ATOM 272 C6 DG A 9 -1.722 -2.503 -2.429 1.00 0.06 C ATOM 273 O6 DG A 9 -1.510 -1.330 -2.725 1.00 0.09 O ATOM 274 N1 DG A 9 -1.835 -2.877 -1.096 1.00 0.07 N ATOM 275 C2 DG A 9 -2.069 -4.160 -0.646 1.00 0.06 C ATOM 276 N2 DG A 9 -2.151 -4.318 0.673 1.00 0.12 N ATOM 277 N3 DG A 9 -2.218 -5.211 -1.453 1.00 0.06 N ATOM 278 C4 DG A 9 -2.114 -4.872 -2.756 1.00 0.05 C ATOM 0 H5' DG A 9 -1.224 -10.224 -6.682 1.00 0.10 H new ATOM 0 H5'' DG A 9 -1.344 -8.498 -6.964 1.00 0.10 H new ATOM 0 H4' DG A 9 -1.579 -9.989 -4.362 1.00 0.05 H new ATOM 0 H3' DG A 9 -3.493 -8.930 -6.266 1.00 0.08 H new ATOM 0 H2' DG A 9 -3.883 -6.874 -5.300 1.00 0.10 H new ATOM 0 H2'' DG A 9 -4.518 -7.747 -3.920 1.00 0.10 H new ATOM 0 H1' DG A 9 -2.612 -7.408 -2.673 1.00 0.08 H new ATOM 0 H8 DG A 9 -2.084 -5.348 -5.903 1.00 0.06 H new ATOM 0 H1 DG A 9 -1.737 -2.144 -0.393 1.00 0.07 H new ATOM 0 H21 DG A 9 -2.323 -5.243 1.066 1.00 0.12 H new ATOM 0 H22 DG A 9 -2.042 -3.514 1.291 1.00 0.12 H new ATOM 290 P DA A 10 -5.591 -10.120 -4.843 1.00 0.18 P ATOM 291 OP1 DA A 10 -6.023 -11.478 -4.439 1.00 0.24 O ATOM 292 OP2 DA A 10 -5.911 -9.617 -6.197 1.00 0.18 O ATOM 293 O5' DA A 10 -6.166 -9.069 -3.765 1.00 0.17 O ATOM 294 C5' DA A 10 -6.263 -9.428 -2.385 1.00 0.25 C ATOM 295 C4' DA A 10 -6.780 -8.269 -1.534 1.00 0.17 C ATOM 296 O4' DA A 10 -5.888 -7.131 -1.619 1.00 0.15 O ATOM 297 C3' DA A 10 -8.164 -7.814 -1.996 1.00 0.13 C ATOM 298 O3' DA A 10 -9.127 -7.968 -0.947 1.00 0.16 O ATOM 299 C2' DA A 10 -8.004 -6.363 -2.362 1.00 0.09 C ATOM 300 C1' DA A 10 -6.655 -5.931 -1.833 1.00 0.10 C ATOM 301 N9 DA A 10 -5.975 -5.015 -2.771 1.00 0.09 N ATOM 302 C8 DA A 10 -5.684 -5.165 -4.087 1.00 0.09 C ATOM 303 N7 DA A 10 -5.078 -4.188 -4.679 1.00 0.11 N ATOM 304 C5 DA A 10 -4.945 -3.267 -3.636 1.00 0.14 C ATOM 305 C6 DA A 10 -4.382 -1.986 -3.566 1.00 0.21 C ATOM 306 N6 DA A 10 -3.830 -1.374 -4.613 1.00 0.29 N ATOM 307 N1 DA A 10 -4.420 -1.357 -2.376 1.00 0.22 N ATOM 308 C2 DA A 10 -4.978 -1.950 -1.322 1.00 0.17 C ATOM 309 N3 DA A 10 -5.538 -3.153 -1.276 1.00 0.12 N ATOM 310 C4 DA A 10 -5.487 -3.763 -2.474 1.00 0.10 C ATOM 0 H5' DA A 10 -5.284 -9.739 -2.020 1.00 0.25 H new ATOM 0 H5'' DA A 10 -6.929 -10.284 -2.278 1.00 0.25 H new ATOM 0 H4' DA A 10 -6.834 -8.632 -0.508 1.00 0.17 H new ATOM 0 H3' DA A 10 -8.524 -8.407 -2.836 1.00 0.13 H new ATOM 0 H2' DA A 10 -8.058 -6.228 -3.442 1.00 0.09 H new ATOM 0 H2'' DA A 10 -8.802 -5.763 -1.925 1.00 0.09 H new ATOM 0 H1' DA A 10 -6.767 -5.376 -0.902 1.00 0.10 H new ATOM 0 H8 DA A 10 -5.948 -6.066 -4.620 1.00 0.09 H new ATOM 0 H61 DA A 10 -3.434 -0.440 -4.507 1.00 0.29 H new ATOM 0 H62 DA A 10 -3.804 -1.840 -5.520 1.00 0.29 H new ATOM 0 H2 DA A 10 -4.975 -1.388 -0.400 1.00 0.17 H new ATOM 322 P DG A 11 -8.956 -7.184 0.450 1.00 0.16 P ATOM 323 OP1 DG A 11 -7.524 -7.205 0.821 1.00 0.23 O ATOM 324 OP2 DG A 11 -9.970 -7.698 1.398 1.00 0.20 O ATOM 325 O5' DG A 11 -9.352 -5.671 0.061 1.00 0.20 O ATOM 326 C5' DG A 11 -10.723 -5.308 -0.169 1.00 0.15 C ATOM 327 C4' DG A 11 -11.327 -4.530 0.996 1.00 0.09 C ATOM 328 O4' DG A 11 -11.476 -5.373 2.158 1.00 0.13 O ATOM 329 C3' DG A 11 -10.458 -3.337 1.396 1.00 0.13 C ATOM 330 O3' DG A 11 -11.042 -2.102 0.959 1.00 0.14 O ATOM 331 C2' DG A 11 -10.367 -3.393 2.898 1.00 0.15 C ATOM 332 C1' DG A 11 -11.095 -4.647 3.346 1.00 0.10 C ATOM 333 N9 DG A 11 -10.238 -5.476 4.215 1.00 0.12 N ATOM 334 C8 DG A 11 -9.106 -6.163 3.918 1.00 0.14 C ATOM 335 N7 DG A 11 -8.538 -6.823 4.870 1.00 0.19 N ATOM 336 C5 DG A 11 -9.387 -6.554 5.949 1.00 0.22 C ATOM 337 C6 DG A 11 -9.311 -6.993 7.298 1.00 0.31 C ATOM 338 O6 DG A 11 -8.465 -7.719 7.817 1.00 0.42 O ATOM 339 N1 DG A 11 -10.361 -6.493 8.057 1.00 0.32 N ATOM 340 C2 DG A 11 -11.365 -5.672 7.582 1.00 0.27 C ATOM 341 N2 DG A 11 -12.288 -5.298 8.468 1.00 0.29 N ATOM 342 N3 DG A 11 -11.443 -5.254 6.315 1.00 0.20 N ATOM 343 C4 DG A 11 -10.430 -5.729 5.556 1.00 0.17 C ATOM 0 H5' DG A 11 -11.310 -6.210 -0.342 1.00 0.15 H new ATOM 0 H5'' DG A 11 -10.789 -4.707 -1.076 1.00 0.15 H new ATOM 0 H4' DG A 11 -12.299 -4.176 0.654 1.00 0.09 H new ATOM 0 H3' DG A 11 -9.473 -3.384 0.932 1.00 0.13 H new ATOM 0 H2' DG A 11 -9.326 -3.417 3.220 1.00 0.15 H new ATOM 0 H2'' DG A 11 -10.818 -2.506 3.344 1.00 0.15 H new ATOM 0 H1' DG A 11 -11.976 -4.383 3.931 1.00 0.10 H new ATOM 0 H8 DG A 11 -8.695 -6.157 2.919 1.00 0.14 H new ATOM 0 H1 DG A 11 -10.393 -6.753 9.043 1.00 0.32 H new ATOM 0 H21 DG A 11 -13.056 -4.692 8.179 1.00 0.29 H new ATOM 0 H22 DG A 11 -12.226 -5.618 9.434 1.00 0.29 H new ATOM 355 P DG A 12 -12.501 -1.647 1.472 1.00 0.15 P ATOM 356 OP1 DG A 12 -13.354 -2.852 1.572 1.00 0.21 O ATOM 357 OP2 DG A 12 -12.942 -0.498 0.650 1.00 0.30 O ATOM 358 O5' DG A 12 -12.203 -1.116 2.962 1.00 0.16 O ATOM 359 C5' DG A 12 -13.248 -1.086 3.944 1.00 0.15 C ATOM 360 C4' DG A 12 -12.866 -0.280 5.179 1.00 0.11 C ATOM 361 O4' DG A 12 -11.676 -0.821 5.795 1.00 0.21 O ATOM 362 C3' DG A 12 -12.597 1.181 4.825 1.00 0.12 C ATOM 363 O3' DG A 12 -13.562 2.038 5.447 1.00 0.11 O ATOM 364 C2' DG A 12 -11.214 1.475 5.336 1.00 0.24 C ATOM 365 C1' DG A 12 -10.720 0.229 6.044 1.00 0.18 C ATOM 366 N9 DG A 12 -9.378 -0.158 5.557 1.00 0.13 N ATOM 367 C8 DG A 12 -8.942 -0.396 4.289 1.00 0.16 C ATOM 368 N7 DG A 12 -7.704 -0.727 4.137 1.00 0.26 N ATOM 369 C5 DG A 12 -7.239 -0.715 5.456 1.00 0.22 C ATOM 370 C6 DG A 12 -5.943 -0.995 5.965 1.00 0.29 C ATOM 371 O6 DG A 12 -4.933 -1.316 5.343 1.00 0.38 O ATOM 372 N1 DG A 12 -5.900 -0.868 7.348 1.00 0.24 N ATOM 373 C2 DG A 12 -6.968 -0.516 8.147 1.00 0.20 C ATOM 374 N2 DG A 12 -6.728 -0.447 9.457 1.00 0.25 N ATOM 375 N3 DG A 12 -8.192 -0.251 7.677 1.00 0.18 N ATOM 376 C4 DG A 12 -8.258 -0.368 6.330 1.00 0.15 C ATOM 0 H5' DG A 12 -13.492 -2.106 4.241 1.00 0.15 H new ATOM 0 H5'' DG A 12 -14.147 -0.659 3.500 1.00 0.15 H new ATOM 0 H4' DG A 12 -13.706 -0.340 5.871 1.00 0.11 H new ATOM 0 H3' DG A 12 -12.672 1.355 3.752 1.00 0.12 H new ATOM 0 H2' DG A 12 -10.549 1.739 4.514 1.00 0.24 H new ATOM 0 H2'' DG A 12 -11.229 2.324 6.019 1.00 0.24 H new ATOM 0 H1' DG A 12 -10.630 0.415 7.114 1.00 0.18 H new ATOM 0 H8 DG A 12 -9.607 -0.311 3.442 1.00 0.16 H new ATOM 0 H1 DG A 12 -5.008 -1.049 7.809 1.00 0.24 H new ATOM 0 H21 DG A 12 -7.477 -0.192 10.100 1.00 0.25 H new ATOM 0 H22 DG A 12 -5.795 -0.649 9.816 1.00 0.25 H new ATOM 388 P DA A 13 -14.160 3.310 4.661 1.00 0.12 P ATOM 389 OP1 DA A 13 -15.370 3.770 5.379 1.00 0.10 O ATOM 390 OP2 DA A 13 -14.242 2.969 3.224 1.00 0.14 O ATOM 391 O5' DA A 13 -13.010 4.420 4.851 1.00 0.12 O ATOM 392 C5' DA A 13 -13.197 5.748 4.349 1.00 0.17 C ATOM 393 C4' DA A 13 -11.915 6.572 4.438 1.00 0.09 C ATOM 394 O4' DA A 13 -11.502 6.731 5.814 1.00 0.07 O ATOM 395 C3' DA A 13 -10.787 5.891 3.674 1.00 0.11 C ATOM 396 O3' DA A 13 -10.333 6.711 2.591 1.00 0.12 O ATOM 397 C2' DA A 13 -9.692 5.659 4.679 1.00 0.13 C ATOM 398 C1' DA A 13 -10.207 6.128 6.024 1.00 0.09 C ATOM 399 N9 DA A 13 -10.308 5.002 6.970 1.00 0.12 N ATOM 400 C8 DA A 13 -9.346 4.161 7.419 1.00 0.17 C ATOM 401 N7 DA A 13 -9.699 3.238 8.250 1.00 0.21 N ATOM 402 C5 DA A 13 -11.070 3.485 8.378 1.00 0.18 C ATOM 403 C6 DA A 13 -12.080 2.864 9.120 1.00 0.23 C ATOM 404 N6 DA A 13 -11.862 1.817 9.915 1.00 0.27 N ATOM 405 N1 DA A 13 -13.324 3.364 9.013 1.00 0.25 N ATOM 406 C2 DA A 13 -13.565 4.412 8.223 1.00 0.21 C ATOM 407 N3 DA A 13 -12.685 5.076 7.477 1.00 0.14 N ATOM 408 C4 DA A 13 -11.448 4.556 7.601 1.00 0.12 C ATOM 0 H5' DA A 13 -13.987 6.243 4.914 1.00 0.17 H new ATOM 0 H5'' DA A 13 -13.528 5.701 3.312 1.00 0.17 H new ATOM 0 H4' DA A 13 -12.123 7.549 4.001 1.00 0.09 H new ATOM 0 H3' DA A 13 -11.117 4.954 3.226 1.00 0.11 H new ATOM 0 H2' DA A 13 -9.423 4.603 4.717 1.00 0.13 H new ATOM 0 H2'' DA A 13 -8.792 6.207 4.400 1.00 0.13 H new ATOM 0 H1' DA A 13 -9.517 6.852 6.456 1.00 0.09 H new ATOM 0 H8 DA A 13 -8.321 4.259 7.094 1.00 0.17 H new ATOM 0 H61 DA A 13 -12.635 1.401 10.435 1.00 0.27 H new ATOM 0 H62 DA A 13 -10.922 1.431 10.004 1.00 0.27 H new ATOM 0 H2 DA A 13 -14.587 4.760 8.185 1.00 0.21 H new ATOM 420 P DA A 14 -9.777 8.201 2.858 1.00 0.12 P ATOM 421 OP1 DA A 14 -9.917 8.496 4.302 1.00 0.17 O ATOM 422 OP2 DA A 14 -10.383 9.107 1.857 1.00 0.20 O ATOM 423 O5' DA A 14 -8.208 8.057 2.522 1.00 0.07 O ATOM 424 C5' DA A 14 -7.778 7.580 1.242 1.00 0.18 C ATOM 425 C4' DA A 14 -6.819 6.412 1.375 1.00 0.10 C ATOM 426 O4' DA A 14 -7.428 5.358 2.153 1.00 0.11 O ATOM 427 C3' DA A 14 -6.458 5.847 0.004 1.00 0.12 C ATOM 428 O3' DA A 14 -5.040 5.772 -0.138 1.00 0.13 O ATOM 429 C2' DA A 14 -7.079 4.476 -0.039 1.00 0.13 C ATOM 430 C1' DA A 14 -7.674 4.203 1.327 1.00 0.09 C ATOM 431 N9 DA A 14 -9.117 3.923 1.221 1.00 0.08 N ATOM 432 C8 DA A 14 -9.804 2.809 1.566 1.00 0.11 C ATOM 433 N7 DA A 14 -11.078 2.804 1.355 1.00 0.12 N ATOM 434 C5 DA A 14 -11.276 4.072 0.798 1.00 0.07 C ATOM 435 C6 DA A 14 -12.416 4.734 0.331 1.00 0.07 C ATOM 436 N6 DA A 14 -13.633 4.191 0.348 1.00 0.10 N ATOM 437 N1 DA A 14 -12.253 5.978 -0.156 1.00 0.11 N ATOM 438 C2 DA A 14 -11.043 6.539 -0.184 1.00 0.15 C ATOM 439 N3 DA A 14 -9.899 6.003 0.230 1.00 0.13 N ATOM 440 C4 DA A 14 -10.087 4.759 0.713 1.00 0.07 C ATOM 0 H5' DA A 14 -7.293 8.389 0.696 1.00 0.18 H new ATOM 0 H5'' DA A 14 -8.645 7.275 0.657 1.00 0.18 H new ATOM 0 H4' DA A 14 -5.918 6.776 1.869 1.00 0.10 H new ATOM 0 H3' DA A 14 -6.822 6.474 -0.810 1.00 0.12 H new ATOM 0 H2' DA A 14 -7.849 4.428 -0.809 1.00 0.13 H new ATOM 0 H2'' DA A 14 -6.331 3.724 -0.289 1.00 0.13 H new ATOM 0 H1' DA A 14 -7.212 3.322 1.773 1.00 0.09 H new ATOM 0 H8 DA A 14 -9.305 1.956 2.002 1.00 0.11 H new ATOM 0 H61 DA A 14 -14.432 4.718 -0.005 1.00 0.10 H new ATOM 0 H62 DA A 14 -13.766 3.248 0.714 1.00 0.10 H new ATOM 0 H2 DA A 14 -10.987 7.539 -0.588 1.00 0.15 H new ATOM 452 P DT A 15 -4.163 7.117 -0.235 1.00 0.12 P ATOM 453 OP1 DT A 15 -3.289 7.189 0.957 1.00 0.17 O ATOM 454 OP2 DT A 15 -5.070 8.241 -0.558 1.00 0.16 O ATOM 455 O5' DT A 15 -3.241 6.828 -1.520 1.00 0.15 O ATOM 456 C5' DT A 15 -3.742 7.032 -2.845 1.00 0.16 C ATOM 457 C4' DT A 15 -3.887 5.706 -3.608 1.00 0.10 C ATOM 458 O4' DT A 15 -3.059 4.690 -2.995 1.00 0.11 O ATOM 459 C3' DT A 15 -5.332 5.187 -3.622 1.00 0.07 C ATOM 460 O3' DT A 15 -5.917 5.308 -4.931 1.00 0.11 O ATOM 461 C2' DT A 15 -5.239 3.747 -3.197 1.00 0.05 C ATOM 462 C1' DT A 15 -3.777 3.440 -2.935 1.00 0.07 C ATOM 463 N1 DT A 15 -3.641 2.785 -1.621 1.00 0.09 N ATOM 464 C2 DT A 15 -3.477 1.417 -1.613 1.00 0.11 C ATOM 465 O2 DT A 15 -3.288 0.776 -2.644 1.00 0.13 O ATOM 466 N3 DT A 15 -3.534 0.808 -0.376 1.00 0.14 N ATOM 467 C4 DT A 15 -3.741 1.444 0.840 1.00 0.15 C ATOM 468 O4 DT A 15 -3.809 0.801 1.885 1.00 0.20 O ATOM 469 C5 DT A 15 -3.891 2.877 0.729 1.00 0.12 C ATOM 470 C7 DT A 15 -4.200 3.717 1.968 1.00 0.20 C ATOM 471 C6 DT A 15 -3.824 3.487 -0.463 1.00 0.09 C ATOM 0 H5' DT A 15 -3.070 7.694 -3.390 1.00 0.16 H new ATOM 0 H5'' DT A 15 -4.710 7.531 -2.795 1.00 0.16 H new ATOM 0 H4' DT A 15 -3.578 5.906 -4.634 1.00 0.10 H new ATOM 0 H3' DT A 15 -5.974 5.763 -2.956 1.00 0.07 H new ATOM 0 H2' DT A 15 -5.833 3.573 -2.300 1.00 0.05 H new ATOM 0 H2'' DT A 15 -5.635 3.092 -3.973 1.00 0.05 H new ATOM 0 H1' DT A 15 -3.367 2.755 -3.677 1.00 0.07 H new ATOM 0 H3 DT A 15 -3.413 -0.204 -0.353 1.00 0.14 H new ATOM 0 H71 DT A 15 -3.772 4.713 1.849 1.00 0.20 H new ATOM 0 H72 DT A 15 -5.280 3.798 2.092 1.00 0.20 H new ATOM 0 H73 DT A 15 -3.768 3.240 2.848 1.00 0.20 H new ATOM 0 H6 DT A 15 -3.917 4.562 -0.509 1.00 0.09 H new ATOM 484 P DT A 16 -5.689 4.183 -6.061 1.00 0.16 P ATOM 485 OP1 DT A 16 -6.305 4.651 -7.321 1.00 0.23 O ATOM 486 OP2 DT A 16 -6.080 2.870 -5.500 1.00 0.24 O ATOM 487 O5' DT A 16 -4.092 4.203 -6.230 1.00 0.13 O ATOM 488 C5' DT A 16 -3.459 3.265 -7.092 1.00 0.15 C ATOM 489 C4' DT A 16 -3.298 3.826 -8.500 1.00 0.07 C ATOM 490 O4' DT A 16 -4.512 4.504 -8.925 1.00 0.10 O ATOM 491 C3' DT A 16 -2.152 4.833 -8.580 1.00 0.09 C ATOM 492 O3' DT A 16 -1.264 4.483 -9.646 1.00 0.12 O ATOM 493 C2' DT A 16 -2.798 6.165 -8.851 1.00 0.17 C ATOM 494 C1' DT A 16 -4.228 5.886 -9.271 1.00 0.13 C ATOM 495 N1 DT A 16 -5.191 6.823 -8.623 1.00 0.14 N ATOM 496 C2 DT A 16 -6.044 7.521 -9.462 1.00 0.16 C ATOM 497 O2 DT A 16 -6.005 7.394 -10.684 1.00 0.21 O ATOM 498 N3 DT A 16 -6.945 8.372 -8.849 1.00 0.13 N ATOM 499 C4 DT A 16 -7.070 8.586 -7.488 1.00 0.09 C ATOM 500 O4 DT A 16 -7.910 9.370 -7.053 1.00 0.11 O ATOM 501 C5 DT A 16 -6.145 7.820 -6.684 1.00 0.11 C ATOM 502 C7 DT A 16 -6.198 7.946 -5.160 1.00 0.15 C ATOM 503 C6 DT A 16 -5.251 6.981 -7.259 1.00 0.12 C ATOM 0 H5' DT A 16 -4.047 2.348 -7.129 1.00 0.15 H new ATOM 0 H5'' DT A 16 -2.481 3.001 -6.690 1.00 0.15 H new ATOM 0 H4' DT A 16 -3.085 2.977 -9.149 1.00 0.07 H new ATOM 0 H3' DT A 16 -1.564 4.853 -7.662 1.00 0.09 H new ATOM 0 H2' DT A 16 -2.773 6.794 -7.961 1.00 0.17 H new ATOM 0 H2'' DT A 16 -2.263 6.701 -9.635 1.00 0.17 H new ATOM 0 H1' DT A 16 -4.343 6.043 -10.343 1.00 0.13 H new ATOM 0 H3 DT A 16 -7.577 8.891 -9.458 1.00 0.13 H new ATOM 0 H71 DT A 16 -6.543 8.944 -4.889 1.00 0.15 H new ATOM 0 H72 DT A 16 -6.886 7.203 -4.757 1.00 0.15 H new ATOM 0 H73 DT A 16 -5.203 7.781 -4.746 1.00 0.15 H new ATOM 0 H6 DT A 16 -4.570 6.424 -6.632 1.00 0.12 H new ATOM 516 P DG A 17 -1.802 4.464 -11.163 1.00 0.09 P ATOM 517 OP1 DG A 17 -1.314 5.686 -11.841 1.00 0.14 O ATOM 518 OP2 DG A 17 -3.252 4.168 -11.139 1.00 0.14 O ATOM 519 O5' DG A 17 -1.043 3.198 -11.806 1.00 0.18 O ATOM 520 C5' DG A 17 -0.558 2.121 -10.988 1.00 0.18 C ATOM 521 C4' DG A 17 0.869 2.365 -10.518 1.00 0.11 C ATOM 522 O4' DG A 17 0.887 3.312 -9.430 1.00 0.08 O ATOM 523 C3' DG A 17 1.546 1.081 -10.030 1.00 0.07 C ATOM 524 O3' DG A 17 2.628 0.719 -10.891 1.00 0.08 O ATOM 525 C2' DG A 17 2.055 1.381 -8.655 1.00 0.11 C ATOM 526 C1' DG A 17 1.747 2.837 -8.373 1.00 0.08 C ATOM 527 N9 DG A 17 1.099 3.017 -7.053 1.00 0.07 N ATOM 528 C8 DG A 17 1.065 4.117 -6.270 1.00 0.08 C ATOM 529 N7 DG A 17 0.422 4.044 -5.155 1.00 0.10 N ATOM 530 C5 DG A 17 -0.043 2.728 -5.176 1.00 0.09 C ATOM 531 C6 DG A 17 -0.827 2.027 -4.219 1.00 0.14 C ATOM 532 O6 DG A 17 -1.255 2.437 -3.142 1.00 0.19 O ATOM 533 N1 DG A 17 -1.081 0.721 -4.622 1.00 0.16 N ATOM 534 C2 DG A 17 -0.633 0.152 -5.800 1.00 0.15 C ATOM 535 N2 DG A 17 -0.965 -1.128 -6.005 1.00 0.18 N ATOM 536 N3 DG A 17 0.107 0.808 -6.708 1.00 0.11 N ATOM 537 C4 DG A 17 0.364 2.086 -6.335 1.00 0.08 C ATOM 0 H5' DG A 17 -0.600 1.189 -11.552 1.00 0.18 H new ATOM 0 H5'' DG A 17 -1.210 2.000 -10.123 1.00 0.18 H new ATOM 0 H4' DG A 17 1.414 2.751 -11.380 1.00 0.11 H new ATOM 0 H3' DG A 17 0.848 0.244 -10.028 1.00 0.07 H new ATOM 0 H2' DG A 17 1.576 0.736 -7.918 1.00 0.11 H new ATOM 0 H2'' DG A 17 3.127 1.195 -8.592 1.00 0.11 H new ATOM 0 H1' DG A 17 2.675 3.408 -8.342 1.00 0.08 H new ATOM 0 H8 DG A 17 1.561 5.029 -6.569 1.00 0.08 H new ATOM 0 H1 DG A 17 -1.641 0.137 -4.001 1.00 0.16 H new ATOM 0 H21 DG A 17 -0.664 -1.603 -6.856 1.00 0.18 H new ATOM 0 H22 DG A 17 -1.519 -1.629 -5.310 1.00 0.18 H new ATOM 549 P DG A 18 3.715 1.822 -11.339 1.00 0.09 P ATOM 550 OP1 DG A 18 3.164 2.574 -12.489 1.00 0.13 O ATOM 551 OP2 DG A 18 5.030 1.153 -11.456 1.00 0.16 O ATOM 552 O5' DG A 18 3.766 2.814 -10.066 1.00 0.09 O ATOM 553 C5' DG A 18 5.015 3.061 -9.413 1.00 0.10 C ATOM 554 C4' DG A 18 5.032 4.341 -8.579 1.00 0.08 C ATOM 555 O4' DG A 18 4.002 4.312 -7.557 1.00 0.11 O ATOM 556 C3' DG A 18 6.375 4.509 -7.872 1.00 0.10 C ATOM 557 O3' DG A 18 6.856 5.851 -8.002 1.00 0.09 O ATOM 558 C2' DG A 18 6.091 4.179 -6.440 1.00 0.15 C ATOM 559 C1' DG A 18 4.610 4.347 -6.242 1.00 0.14 C ATOM 560 N9 DG A 18 4.105 3.263 -5.396 1.00 0.13 N ATOM 561 C8 DG A 18 3.791 2.004 -5.744 1.00 0.09 C ATOM 562 N7 DG A 18 3.415 1.199 -4.813 1.00 0.09 N ATOM 563 C5 DG A 18 3.483 2.016 -3.685 1.00 0.10 C ATOM 564 C6 DG A 18 3.195 1.713 -2.330 1.00 0.13 C ATOM 565 O6 DG A 18 2.812 0.645 -1.854 1.00 0.20 O ATOM 566 N1 DG A 18 3.396 2.816 -1.510 1.00 0.12 N ATOM 567 C2 DG A 18 3.823 4.058 -1.937 1.00 0.14 C ATOM 568 N2 DG A 18 3.971 4.989 -0.993 1.00 0.17 N ATOM 569 N3 DG A 18 4.095 4.351 -3.215 1.00 0.15 N ATOM 570 C4 DG A 18 3.905 3.289 -4.032 1.00 0.12 C ATOM 0 H5' DG A 18 5.802 3.118 -10.165 1.00 0.10 H new ATOM 0 H5'' DG A 18 5.251 2.215 -8.768 1.00 0.10 H new ATOM 0 H4' DG A 18 4.856 5.168 -9.267 1.00 0.08 H new ATOM 0 H3' DG A 18 7.148 3.869 -8.297 1.00 0.10 H new ATOM 0 H2' DG A 18 6.399 3.159 -6.210 1.00 0.15 H new ATOM 0 H2'' DG A 18 6.648 4.838 -5.774 1.00 0.15 H new ATOM 0 H1' DG A 18 4.373 5.288 -5.746 1.00 0.14 H new ATOM 0 H8 DG A 18 3.852 1.678 -6.772 1.00 0.09 H new ATOM 0 H1 DG A 18 3.214 2.699 -0.513 1.00 0.12 H new ATOM 0 H21 DG A 18 4.284 5.926 -1.246 1.00 0.17 H new ATOM 0 H22 DG A 18 3.771 4.763 -0.019 1.00 0.17 H new ATOM 582 P DG A 19 8.215 6.306 -7.268 1.00 0.15 P ATOM 583 OP1 DG A 19 8.570 7.660 -7.747 1.00 0.22 O ATOM 584 OP2 DG A 19 9.195 5.202 -7.382 1.00 0.16 O ATOM 585 O5' DG A 19 7.758 6.418 -5.727 1.00 0.24 O ATOM 586 C5' DG A 19 6.975 7.535 -5.284 1.00 0.18 C ATOM 587 C4' DG A 19 7.205 7.865 -3.823 1.00 0.11 C ATOM 588 O4' DG A 19 6.515 6.935 -2.962 1.00 0.20 O ATOM 589 C3' DG A 19 8.690 7.814 -3.489 1.00 0.09 C ATOM 590 O3' DG A 19 9.196 9.113 -3.113 1.00 0.20 O ATOM 591 C2' DG A 19 8.811 6.816 -2.369 1.00 0.09 C ATOM 592 C1' DG A 19 7.403 6.482 -1.924 1.00 0.11 C ATOM 593 N9 DG A 19 7.238 5.034 -1.696 1.00 0.11 N ATOM 594 C8 DG A 19 7.125 4.028 -2.595 1.00 0.13 C ATOM 595 N7 DG A 19 6.936 2.837 -2.141 1.00 0.15 N ATOM 596 C5 DG A 19 6.922 3.055 -0.762 1.00 0.12 C ATOM 597 C6 DG A 19 6.750 2.129 0.302 1.00 0.14 C ATOM 598 O6 DG A 19 6.571 0.914 0.234 1.00 0.21 O ATOM 599 N1 DG A 19 6.800 2.760 1.539 1.00 0.12 N ATOM 600 C2 DG A 19 6.992 4.116 1.731 1.00 0.12 C ATOM 601 N2 DG A 19 7.018 4.537 2.994 1.00 0.15 N ATOM 602 N3 DG A 19 7.154 4.992 0.734 1.00 0.11 N ATOM 603 C4 DG A 19 7.108 4.399 -0.480 1.00 0.11 C ATOM 0 H5' DG A 19 5.918 7.319 -5.442 1.00 0.18 H new ATOM 0 H5'' DG A 19 7.216 8.407 -5.892 1.00 0.18 H new ATOM 0 H4' DG A 19 6.818 8.870 -3.657 1.00 0.11 H new ATOM 0 H3' DG A 19 9.287 7.518 -4.351 1.00 0.09 H new ATOM 0 H2' DG A 19 9.333 5.920 -2.705 1.00 0.09 H new ATOM 0 H2'' DG A 19 9.389 7.231 -1.543 1.00 0.09 H new ATOM 0 H1' DG A 19 7.182 6.973 -0.977 1.00 0.11 H new ATOM 0 H8 DG A 19 7.191 4.217 -3.656 1.00 0.13 H new ATOM 0 H1 DG A 19 6.686 2.178 2.369 1.00 0.12 H new ATOM 0 H21 DG A 19 7.156 5.527 3.199 1.00 0.15 H new ATOM 0 H22 DG A 19 6.900 3.870 3.756 1.00 0.15 H new ATOM 615 P DC A 20 9.035 9.706 -1.616 1.00 0.15 P ATOM 616 OP1 DC A 20 10.387 9.955 -1.068 1.00 0.18 O ATOM 617 OP2 DC A 20 8.083 8.853 -0.871 1.00 0.17 O ATOM 618 O5' DC A 20 8.330 11.128 -1.880 1.00 0.27 O ATOM 619 C5' DC A 20 7.125 11.172 -2.637 1.00 0.16 C ATOM 620 C4' DC A 20 6.523 12.566 -2.715 1.00 0.15 C ATOM 621 O4' DC A 20 7.447 13.497 -3.323 1.00 0.16 O ATOM 622 C3' DC A 20 5.253 12.532 -3.554 1.00 0.15 C ATOM 623 O3' DC A 20 4.110 12.883 -2.768 1.00 0.14 O ATOM 624 C2' DC A 20 5.468 13.528 -4.660 1.00 0.20 C ATOM 625 C1' DC A 20 6.816 14.182 -4.427 1.00 0.19 C ATOM 626 N1 DC A 20 7.654 14.097 -5.639 1.00 0.18 N ATOM 627 C2 DC A 20 7.929 15.272 -6.324 1.00 0.39 C ATOM 628 O2 DC A 20 7.480 16.341 -5.917 1.00 0.62 O ATOM 629 N3 DC A 20 8.699 15.202 -7.444 1.00 0.41 N ATOM 630 C4 DC A 20 9.181 14.028 -7.875 1.00 0.21 C ATOM 631 N4 DC A 20 9.932 13.993 -8.976 1.00 0.21 N ATOM 632 C5 DC A 20 8.900 12.815 -7.172 1.00 0.10 C ATOM 633 C6 DC A 20 8.136 12.896 -6.065 1.00 0.14 C ATOM 0 H5' DC A 20 6.398 10.493 -2.192 1.00 0.16 H new ATOM 0 H5'' DC A 20 7.323 10.811 -3.646 1.00 0.16 H new ATOM 0 H4' DC A 20 6.301 12.892 -1.699 1.00 0.15 H new ATOM 0 H3' DC A 20 5.061 11.533 -3.946 1.00 0.15 H new ATOM 0 H2' DC A 20 5.444 13.034 -5.631 1.00 0.20 H new ATOM 0 H2'' DC A 20 4.674 14.275 -4.663 1.00 0.20 H new ATOM 0 H1' DC A 20 6.689 15.240 -4.196 1.00 0.19 H new ATOM 0 H41 DC A 20 10.303 13.104 -9.312 1.00 0.21 H new ATOM 0 H42 DC A 20 10.135 14.855 -9.482 1.00 0.21 H new ATOM 0 H5 DC A 20 9.287 11.867 -7.516 1.00 0.10 H new ATOM 0 H6 DC A 20 7.903 11.999 -5.510 1.00 0.14 H new ATOM 645 P DG A 21 3.732 12.040 -1.448 1.00 0.11 P ATOM 646 OP1 DG A 21 2.520 12.640 -0.846 1.00 0.14 O ATOM 647 OP2 DG A 21 4.957 11.879 -0.633 1.00 0.10 O ATOM 648 O5' DG A 21 3.334 10.601 -2.049 1.00 0.15 O ATOM 649 C5' DG A 21 2.183 9.897 -1.561 1.00 0.13 C ATOM 650 C4' DG A 21 2.032 10.006 -0.050 1.00 0.14 C ATOM 651 O4' DG A 21 0.895 9.238 0.408 1.00 0.15 O ATOM 652 C3' DG A 21 3.276 9.484 0.668 1.00 0.20 C ATOM 653 O3' DG A 21 3.876 10.516 1.459 1.00 0.27 O ATOM 654 C2' DG A 21 2.795 8.358 1.538 1.00 0.21 C ATOM 655 C1' DG A 21 1.283 8.390 1.509 1.00 0.17 C ATOM 656 N9 DG A 21 0.735 7.031 1.356 1.00 0.11 N ATOM 657 C8 DG A 21 0.273 6.177 2.302 1.00 0.07 C ATOM 658 N7 DG A 21 -0.139 5.020 1.911 1.00 0.08 N ATOM 659 C5 DG A 21 0.066 5.093 0.531 1.00 0.06 C ATOM 660 C6 DG A 21 -0.190 4.127 -0.479 1.00 0.10 C ATOM 661 O6 DG A 21 -0.650 2.993 -0.350 1.00 0.12 O ATOM 662 N1 DG A 21 0.158 4.602 -1.737 1.00 0.19 N ATOM 663 C2 DG A 21 0.689 5.852 -1.997 1.00 0.28 C ATOM 664 N2 DG A 21 0.957 6.129 -3.271 1.00 0.36 N ATOM 665 N3 DG A 21 0.933 6.764 -1.050 1.00 0.28 N ATOM 666 C4 DG A 21 0.601 6.324 0.183 1.00 0.16 C ATOM 0 H5' DG A 21 2.258 8.846 -1.841 1.00 0.13 H new ATOM 0 H5'' DG A 21 1.288 10.292 -2.042 1.00 0.13 H new ATOM 0 H4' DG A 21 1.890 11.062 0.180 1.00 0.14 H new ATOM 0 H3' DG A 21 4.038 9.151 -0.037 1.00 0.20 H new ATOM 0 H2' DG A 21 3.167 7.401 1.171 1.00 0.21 H new ATOM 0 H2'' DG A 21 3.164 8.474 2.557 1.00 0.21 H new ATOM 0 H1' DG A 21 0.887 8.783 2.445 1.00 0.17 H new ATOM 0 H8 DG A 21 0.251 6.456 3.345 1.00 0.07 H new ATOM 0 H1 DG A 21 0.010 3.980 -2.532 1.00 0.19 H new ATOM 0 H21 DG A 21 1.350 7.036 -3.524 1.00 0.36 H new ATOM 0 H22 DG A 21 0.769 5.435 -3.994 1.00 0.36 H new ATOM 678 P DG A 22 5.268 10.254 2.226 1.00 0.23 P ATOM 679 OP1 DG A 22 5.701 11.526 2.846 1.00 0.31 O ATOM 680 OP2 DG A 22 6.176 9.537 1.304 1.00 0.30 O ATOM 681 O5' DG A 22 4.842 9.240 3.403 1.00 0.15 O ATOM 682 C5' DG A 22 4.194 9.725 4.587 1.00 0.15 C ATOM 683 C4' DG A 22 4.103 8.662 5.675 1.00 0.14 C ATOM 684 O4' DG A 22 3.350 7.517 5.209 1.00 0.13 O ATOM 685 C3' DG A 22 5.491 8.182 6.088 1.00 0.14 C ATOM 686 O3' DG A 22 5.709 8.410 7.486 1.00 0.17 O ATOM 687 C2' DG A 22 5.521 6.713 5.773 1.00 0.14 C ATOM 688 C1' DG A 22 4.115 6.307 5.397 1.00 0.12 C ATOM 689 N9 DG A 22 4.118 5.488 4.173 1.00 0.12 N ATOM 690 C8 DG A 22 4.458 5.830 2.910 1.00 0.14 C ATOM 691 N7 DG A 22 4.375 4.919 1.996 1.00 0.16 N ATOM 692 C5 DG A 22 3.923 3.819 2.735 1.00 0.09 C ATOM 693 C6 DG A 22 3.632 2.492 2.312 1.00 0.10 C ATOM 694 O6 DG A 22 3.714 2.016 1.184 1.00 0.16 O ATOM 695 N1 DG A 22 3.206 1.701 3.373 1.00 0.14 N ATOM 696 C2 DG A 22 3.075 2.130 4.681 1.00 0.22 C ATOM 697 N2 DG A 22 2.652 1.226 5.562 1.00 0.40 N ATOM 698 N3 DG A 22 3.348 3.374 5.084 1.00 0.22 N ATOM 699 C4 DG A 22 3.764 4.162 4.069 1.00 0.12 C ATOM 0 H5' DG A 22 3.191 10.069 4.334 1.00 0.15 H new ATOM 0 H5'' DG A 22 4.740 10.587 4.970 1.00 0.15 H new ATOM 0 H4' DG A 22 3.602 9.117 6.529 1.00 0.14 H new ATOM 0 H3' DG A 22 6.278 8.720 5.560 1.00 0.14 H new ATOM 0 H2' DG A 22 6.212 6.509 4.955 1.00 0.14 H new ATOM 0 H2'' DG A 22 5.869 6.142 6.634 1.00 0.14 H new ATOM 0 H1' DG A 22 3.670 5.699 6.184 1.00 0.12 H new ATOM 0 H8 DG A 22 4.788 6.831 2.672 1.00 0.14 H new ATOM 0 H1 DG A 22 2.972 0.729 3.171 1.00 0.14 H new ATOM 0 H21 DG A 22 2.536 1.484 6.542 1.00 0.40 H new ATOM 0 H22 DG A 22 2.444 0.275 5.257 1.00 0.40 H new ATOM 711 P DG A 23 7.046 7.870 8.208 1.00 0.11 P ATOM 712 OP1 DG A 23 7.224 8.619 9.473 1.00 0.15 O ATOM 713 OP2 DG A 23 8.135 7.844 7.206 1.00 0.19 O ATOM 714 O5' DG A 23 6.660 6.348 8.573 1.00 0.09 O ATOM 715 C5' DG A 23 5.860 6.058 9.729 1.00 0.11 C ATOM 716 C4' DG A 23 5.880 4.579 10.099 1.00 0.11 C ATOM 717 O4' DG A 23 5.303 3.776 9.048 1.00 0.10 O ATOM 718 C3' DG A 23 7.305 4.086 10.333 1.00 0.19 C ATOM 719 O3' DG A 23 7.469 3.616 11.676 1.00 0.26 O ATOM 720 C2' DG A 23 7.514 2.977 9.347 1.00 0.21 C ATOM 721 C1' DG A 23 6.157 2.645 8.783 1.00 0.12 C ATOM 722 N9 DG A 23 6.237 2.362 7.337 1.00 0.13 N ATOM 723 C8 DG A 23 6.565 3.189 6.313 1.00 0.14 C ATOM 724 N7 DG A 23 6.561 2.695 5.123 1.00 0.14 N ATOM 725 C5 DG A 23 6.186 1.373 5.361 1.00 0.12 C ATOM 726 C6 DG A 23 6.001 0.305 4.444 1.00 0.11 C ATOM 727 O6 DG A 23 6.135 0.322 3.221 1.00 0.11 O ATOM 728 N1 DG A 23 5.624 -0.865 5.095 1.00 0.15 N ATOM 729 C2 DG A 23 5.445 -0.994 6.459 1.00 0.18 C ATOM 730 N2 DG A 23 5.084 -2.202 6.892 1.00 0.24 N ATOM 731 N3 DG A 23 5.617 0.009 7.328 1.00 0.16 N ATOM 732 C4 DG A 23 5.986 1.158 6.716 1.00 0.13 C ATOM 0 H5' DG A 23 4.832 6.368 9.542 1.00 0.11 H new ATOM 0 H5'' DG A 23 6.222 6.645 10.573 1.00 0.11 H new ATOM 0 H4' DG A 23 5.297 4.478 11.014 1.00 0.11 H new ATOM 0 H3' DG A 23 8.034 4.885 10.198 1.00 0.19 H new ATOM 0 H2' DG A 23 8.198 3.285 8.556 1.00 0.21 H new ATOM 0 H2'' DG A 23 7.957 2.106 9.831 1.00 0.21 H new ATOM 0 HO3' DG A 23 8.389 3.303 11.803 1.00 0.26 H new ATOM 0 H1' DG A 23 5.756 1.745 9.250 1.00 0.12 H new ATOM 0 H8 DG A 23 6.820 4.224 6.489 1.00 0.14 H new ATOM 0 H1 DG A 23 5.467 -1.693 4.520 1.00 0.15 H new ATOM 0 H21 DG A 23 4.936 -2.363 7.888 1.00 0.24 H new ATOM 0 H22 DG A 23 4.956 -2.965 6.227 1.00 0.24 H new TER 745 DG A 23