USER MOD reduce.3.24.130724 H: found=0, std=0, add=257, rem=0, adj=4 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 180:sc= 0 USER MOD Single : A 15 DT C7 :methyl -30:sc= -0.472 (180deg=-2.02) USER MOD Single : A 16 DT C7 :methyl -30:sc=-0.00327 (180deg=-1.94!) USER MOD Single : A 23 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -1.608 2.932 7.346 1.00 0.13 O ATOM 2 C5' DG A 1 -2.430 1.997 6.632 1.00 0.14 C ATOM 3 C4' DG A 1 -2.575 0.673 7.367 1.00 0.11 C ATOM 4 O4' DG A 1 -3.398 -0.242 6.609 1.00 0.12 O ATOM 5 C3' DG A 1 -1.217 0.017 7.590 1.00 0.09 C ATOM 6 O3' DG A 1 -1.029 -0.292 8.976 1.00 0.11 O ATOM 7 C2' DG A 1 -1.228 -1.232 6.756 1.00 0.09 C ATOM 8 C1' DG A 1 -2.634 -1.403 6.219 1.00 0.09 C ATOM 9 N9 DG A 1 -2.610 -1.542 4.754 1.00 0.08 N ATOM 10 C8 DG A 1 -2.789 -2.643 3.985 1.00 0.07 C ATOM 11 N7 DG A 1 -2.701 -2.498 2.705 1.00 0.04 N ATOM 12 C5 DG A 1 -2.428 -1.132 2.592 1.00 0.07 C ATOM 13 C6 DG A 1 -2.219 -0.337 1.432 1.00 0.09 C ATOM 14 O6 DG A 1 -2.225 -0.688 0.255 1.00 0.13 O ATOM 15 N1 DG A 1 -1.976 0.990 1.763 1.00 0.13 N ATOM 16 C2 DG A 1 -1.939 1.494 3.046 1.00 0.11 C ATOM 17 N2 DG A 1 -1.689 2.797 3.162 1.00 0.16 N ATOM 18 N3 DG A 1 -2.134 0.755 4.140 1.00 0.09 N ATOM 19 C4 DG A 1 -2.372 -0.541 3.844 1.00 0.07 C ATOM 0 H5' DG A 1 -1.999 1.817 5.647 1.00 0.14 H new ATOM 0 H5'' DG A 1 -3.417 2.432 6.474 1.00 0.14 H new ATOM 0 H4' DG A 1 -3.040 0.889 8.329 1.00 0.11 H new ATOM 0 H3' DG A 1 -0.397 0.677 7.306 1.00 0.09 H new ATOM 0 H2' DG A 1 -0.511 -1.154 5.938 1.00 0.09 H new ATOM 0 H2'' DG A 1 -0.937 -2.096 7.354 1.00 0.09 H new ATOM 0 HO5' DG A 1 -1.542 3.766 6.836 1.00 0.13 H new ATOM 0 H1' DG A 1 -3.090 -2.306 6.626 1.00 0.09 H new ATOM 0 H8 DG A 1 -2.998 -3.606 4.426 1.00 0.07 H new ATOM 0 H1 DG A 1 -1.812 1.643 0.997 1.00 0.13 H new ATOM 0 H21 DG A 1 -1.649 3.228 4.085 1.00 0.16 H new ATOM 0 H22 DG A 1 -1.538 3.363 2.327 1.00 0.16 H new ATOM 32 P DG A 2 0.448 -0.495 9.583 1.00 0.13 P ATOM 33 OP1 DG A 2 0.361 -0.406 11.057 1.00 0.20 O ATOM 34 OP2 DG A 2 1.377 0.389 8.844 1.00 0.20 O ATOM 35 O5' DG A 2 0.781 -2.018 9.189 1.00 0.14 O ATOM 36 C5' DG A 2 -0.101 -3.078 9.583 1.00 0.19 C ATOM 37 C4' DG A 2 -0.027 -4.270 8.640 1.00 0.17 C ATOM 38 O4' DG A 2 -0.231 -3.851 7.267 1.00 0.18 O ATOM 39 C3' DG A 2 1.338 -4.951 8.727 1.00 0.12 C ATOM 40 O3' DG A 2 1.227 -6.298 9.219 1.00 0.07 O ATOM 41 C2' DG A 2 1.894 -4.924 7.331 1.00 0.14 C ATOM 42 C1' DG A 2 0.818 -4.373 6.421 1.00 0.14 C ATOM 43 N9 DG A 2 1.379 -3.322 5.555 1.00 0.14 N ATOM 44 C8 DG A 2 1.888 -2.123 5.905 1.00 0.18 C ATOM 45 N7 DG A 2 2.338 -1.363 4.968 1.00 0.20 N ATOM 46 C5 DG A 2 2.111 -2.143 3.834 1.00 0.18 C ATOM 47 C6 DG A 2 2.395 -1.861 2.473 1.00 0.24 C ATOM 48 O6 DG A 2 2.892 -0.841 1.997 1.00 0.34 O ATOM 49 N1 DG A 2 2.019 -2.913 1.645 1.00 0.22 N ATOM 50 C2 DG A 2 1.439 -4.089 2.068 1.00 0.17 C ATOM 51 N2 DG A 2 1.164 -4.982 1.110 1.00 0.23 N ATOM 52 N3 DG A 2 1.162 -4.364 3.352 1.00 0.14 N ATOM 53 C4 DG A 2 1.524 -3.351 4.179 1.00 0.13 C ATOM 0 H5' DG A 2 -1.124 -2.704 9.613 1.00 0.19 H new ATOM 0 H5'' DG A 2 0.150 -3.400 10.593 1.00 0.19 H new ATOM 0 H4' DG A 2 -0.810 -4.967 8.940 1.00 0.17 H new ATOM 0 H3' DG A 2 1.993 -4.435 9.429 1.00 0.12 H new ATOM 0 H2' DG A 2 2.788 -4.302 7.287 1.00 0.14 H new ATOM 0 H2'' DG A 2 2.186 -5.926 7.016 1.00 0.14 H new ATOM 0 H1' DG A 2 0.418 -5.148 5.768 1.00 0.14 H new ATOM 0 H8 DG A 2 1.917 -1.810 6.938 1.00 0.18 H new ATOM 0 H1 DG A 2 2.186 -2.805 0.645 1.00 0.22 H new ATOM 0 H21 DG A 2 0.734 -5.874 1.353 1.00 0.23 H new ATOM 0 H22 DG A 2 1.384 -4.770 0.137 1.00 0.23 H new ATOM 65 P DG A 3 0.133 -7.329 8.634 1.00 0.09 P ATOM 66 OP1 DG A 3 -1.179 -6.645 8.588 1.00 0.20 O ATOM 67 OP2 DG A 3 0.269 -8.609 9.364 1.00 0.15 O ATOM 68 O5' DG A 3 0.632 -7.559 7.124 1.00 0.14 O ATOM 69 C5' DG A 3 1.677 -8.497 6.836 1.00 0.08 C ATOM 70 C4' DG A 3 1.715 -8.881 5.369 1.00 0.10 C ATOM 71 O4' DG A 3 1.778 -7.698 4.539 1.00 0.09 O ATOM 72 C3' DG A 3 2.934 -9.743 5.063 1.00 0.12 C ATOM 73 O3' DG A 3 2.545 -10.959 4.412 1.00 0.13 O ATOM 74 C2' DG A 3 3.792 -8.903 4.162 1.00 0.13 C ATOM 75 C1' DG A 3 2.932 -7.760 3.679 1.00 0.09 C ATOM 76 N9 DG A 3 3.681 -6.499 3.705 1.00 0.07 N ATOM 77 C8 DG A 3 4.109 -5.769 4.756 1.00 0.09 C ATOM 78 N7 DG A 3 4.744 -4.672 4.504 1.00 0.10 N ATOM 79 C5 DG A 3 4.746 -4.664 3.104 1.00 0.11 C ATOM 80 C6 DG A 3 5.293 -3.720 2.192 1.00 0.16 C ATOM 81 O6 DG A 3 5.896 -2.679 2.441 1.00 0.22 O ATOM 82 N1 DG A 3 5.072 -4.100 0.874 1.00 0.14 N ATOM 83 C2 DG A 3 4.410 -5.244 0.478 1.00 0.09 C ATOM 84 N2 DG A 3 4.307 -5.444 -0.832 1.00 0.12 N ATOM 85 N3 DG A 3 3.894 -6.131 1.326 1.00 0.06 N ATOM 86 C4 DG A 3 4.095 -5.783 2.613 1.00 0.08 C ATOM 0 H5' DG A 3 1.535 -9.393 7.441 1.00 0.08 H new ATOM 0 H5'' DG A 3 2.637 -8.068 7.122 1.00 0.08 H new ATOM 0 H4' DG A 3 0.806 -9.443 5.155 1.00 0.10 H new ATOM 0 H3' DG A 3 3.464 -10.037 5.969 1.00 0.12 H new ATOM 0 H2' DG A 3 4.665 -8.530 4.698 1.00 0.13 H new ATOM 0 H2'' DG A 3 4.161 -9.491 3.321 1.00 0.13 H new ATOM 0 H1' DG A 3 2.623 -7.921 2.646 1.00 0.09 H new ATOM 0 H8 DG A 3 3.927 -6.090 5.771 1.00 0.09 H new ATOM 0 H1 DG A 3 5.427 -3.485 0.142 1.00 0.14 H new ATOM 0 H21 DG A 3 3.828 -6.272 -1.185 1.00 0.12 H new ATOM 0 H22 DG A 3 4.707 -4.769 -1.484 1.00 0.12 H new ATOM 98 P DC A 4 3.619 -12.126 4.136 1.00 0.14 P ATOM 99 OP1 DC A 4 2.882 -13.368 3.814 1.00 0.17 O ATOM 100 OP2 DC A 4 4.605 -12.119 5.240 1.00 0.19 O ATOM 101 O5' DC A 4 4.358 -11.618 2.798 1.00 0.12 O ATOM 102 C5' DC A 4 5.514 -12.299 2.303 1.00 0.13 C ATOM 103 C4' DC A 4 6.150 -11.545 1.137 1.00 0.12 C ATOM 104 O4' DC A 4 5.245 -11.489 0.012 1.00 0.12 O ATOM 105 C3' DC A 4 6.499 -10.116 1.539 1.00 0.11 C ATOM 106 O3' DC A 4 7.910 -9.887 1.448 1.00 0.12 O ATOM 107 C2' DC A 4 5.744 -9.229 0.590 1.00 0.11 C ATOM 108 C1' DC A 4 5.090 -10.126 -0.441 1.00 0.10 C ATOM 109 N1 DC A 4 3.658 -9.793 -0.610 1.00 0.12 N ATOM 110 C2 DC A 4 3.272 -9.198 -1.803 1.00 0.15 C ATOM 111 O2 DC A 4 4.111 -8.946 -2.665 1.00 0.16 O ATOM 112 N3 DC A 4 1.955 -8.909 -1.985 1.00 0.17 N ATOM 113 C4 DC A 4 1.051 -9.191 -1.036 1.00 0.13 C ATOM 114 N4 DC A 4 -0.232 -8.895 -1.248 1.00 0.17 N ATOM 115 C5 DC A 4 1.443 -9.804 0.195 1.00 0.10 C ATOM 116 C6 DC A 4 2.750 -10.085 0.367 1.00 0.10 C ATOM 0 H5' DC A 4 5.236 -13.303 1.981 1.00 0.13 H new ATOM 0 H5'' DC A 4 6.243 -12.412 3.106 1.00 0.13 H new ATOM 0 H4' DC A 4 7.057 -12.082 0.860 1.00 0.12 H new ATOM 0 H3' DC A 4 6.225 -9.914 2.575 1.00 0.11 H new ATOM 0 H2' DC A 4 4.993 -8.646 1.124 1.00 0.11 H new ATOM 0 H2'' DC A 4 6.417 -8.519 0.110 1.00 0.11 H new ATOM 0 H1' DC A 4 5.563 -9.986 -1.413 1.00 0.10 H new ATOM 0 H41 DC A 4 -0.929 -9.105 -0.533 1.00 0.17 H new ATOM 0 H42 DC A 4 -0.517 -8.459 -2.125 1.00 0.17 H new ATOM 0 H5 DC A 4 0.717 -10.034 0.961 1.00 0.10 H new ATOM 0 H6 DC A 4 3.082 -10.545 1.286 1.00 0.10 H new ATOM 128 P DG A 5 8.692 -10.074 0.053 1.00 0.11 P ATOM 129 OP1 DG A 5 7.698 -10.087 -1.043 1.00 0.20 O ATOM 130 OP2 DG A 5 9.641 -11.200 0.201 1.00 0.17 O ATOM 131 O5' DG A 5 9.540 -8.710 -0.052 1.00 0.16 O ATOM 132 C5' DG A 5 9.154 -7.676 -0.970 1.00 0.13 C ATOM 133 C4' DG A 5 9.113 -6.303 -0.316 1.00 0.06 C ATOM 134 O4' DG A 5 8.066 -6.229 0.676 1.00 0.09 O ATOM 135 C3' DG A 5 10.433 -5.993 0.374 1.00 0.09 C ATOM 136 O3' DG A 5 11.163 -4.991 -0.341 1.00 0.18 O ATOM 137 C2' DG A 5 10.066 -5.514 1.753 1.00 0.12 C ATOM 138 C1' DG A 5 8.554 -5.547 1.850 1.00 0.09 C ATOM 139 N9 DG A 5 8.116 -6.235 3.079 1.00 0.11 N ATOM 140 C8 DG A 5 7.934 -7.557 3.312 1.00 0.14 C ATOM 141 N7 DG A 5 7.539 -7.910 4.488 1.00 0.14 N ATOM 142 C5 DG A 5 7.439 -6.675 5.137 1.00 0.10 C ATOM 143 C6 DG A 5 7.049 -6.376 6.471 1.00 0.13 C ATOM 144 O6 DG A 5 6.708 -7.155 7.358 1.00 0.25 O ATOM 145 N1 DG A 5 7.084 -5.010 6.718 1.00 0.12 N ATOM 146 C2 DG A 5 7.449 -4.044 5.800 1.00 0.11 C ATOM 147 N2 DG A 5 7.419 -2.782 6.227 1.00 0.17 N ATOM 148 N3 DG A 5 7.819 -4.317 4.544 1.00 0.11 N ATOM 149 C4 DG A 5 7.791 -5.643 4.280 1.00 0.08 C ATOM 0 H5' DG A 5 8.172 -7.908 -1.382 1.00 0.13 H new ATOM 0 H5'' DG A 5 9.854 -7.656 -1.806 1.00 0.13 H new ATOM 0 H4' DG A 5 8.924 -5.580 -1.109 1.00 0.06 H new ATOM 0 H3' DG A 5 11.080 -6.869 0.414 1.00 0.09 H new ATOM 0 H2' DG A 5 10.515 -6.152 2.514 1.00 0.12 H new ATOM 0 H2'' DG A 5 10.441 -4.504 1.922 1.00 0.12 H new ATOM 0 H1' DG A 5 8.154 -4.534 1.899 1.00 0.09 H new ATOM 0 H8 DG A 5 8.113 -8.290 2.540 1.00 0.14 H new ATOM 0 H1 DG A 5 6.819 -4.695 7.651 1.00 0.12 H new ATOM 0 H21 DG A 5 7.678 -2.024 5.596 1.00 0.17 H new ATOM 0 H22 DG A 5 7.137 -2.574 7.185 1.00 0.17 H new ATOM 161 P DC A 6 11.421 -5.146 -1.923 1.00 0.18 P ATOM 162 OP1 DC A 6 11.724 -6.567 -2.206 1.00 0.27 O ATOM 163 OP2 DC A 6 12.369 -4.090 -2.342 1.00 0.28 O ATOM 164 O5' DC A 6 9.975 -4.805 -2.547 1.00 0.10 O ATOM 165 C5' DC A 6 9.791 -4.704 -3.964 1.00 0.12 C ATOM 166 C4' DC A 6 9.899 -3.256 -4.448 1.00 0.12 C ATOM 167 O4' DC A 6 9.128 -2.362 -3.611 1.00 0.11 O ATOM 168 C3' DC A 6 11.347 -2.762 -4.425 1.00 0.12 C ATOM 169 O3' DC A 6 11.877 -2.647 -5.754 1.00 0.13 O ATOM 170 C2' DC A 6 11.301 -1.420 -3.743 1.00 0.13 C ATOM 171 C1' DC A 6 9.843 -1.116 -3.473 1.00 0.12 C ATOM 172 N1 DC A 6 9.655 -0.519 -2.127 1.00 0.08 N ATOM 173 C2 DC A 6 9.513 0.862 -2.059 1.00 0.19 C ATOM 174 O2 DC A 6 9.558 1.535 -3.086 1.00 0.32 O ATOM 175 N3 DC A 6 9.330 1.434 -0.837 1.00 0.28 N ATOM 176 C4 DC A 6 9.282 0.688 0.273 1.00 0.18 C ATOM 177 N4 DC A 6 9.099 1.282 1.452 1.00 0.26 N ATOM 178 C5 DC A 6 9.425 -0.733 0.211 1.00 0.18 C ATOM 179 C6 DC A 6 9.611 -1.293 -1.001 1.00 0.22 C ATOM 0 H5' DC A 6 8.814 -5.106 -4.233 1.00 0.12 H new ATOM 0 H5'' DC A 6 10.538 -5.314 -4.472 1.00 0.12 H new ATOM 0 H4' DC A 6 9.514 -3.250 -5.468 1.00 0.12 H new ATOM 0 H3' DC A 6 12.000 -3.459 -3.900 1.00 0.12 H new ATOM 0 H2' DC A 6 11.870 -1.439 -2.814 1.00 0.13 H new ATOM 0 H2'' DC A 6 11.746 -0.650 -4.374 1.00 0.13 H new ATOM 0 H1' DC A 6 9.462 -0.378 -4.179 1.00 0.12 H new ATOM 0 H41 DC A 6 9.061 0.723 2.304 1.00 0.26 H new ATOM 0 H42 DC A 6 8.997 2.296 1.502 1.00 0.26 H new ATOM 0 H5 DC A 6 9.385 -1.338 1.105 1.00 0.18 H new ATOM 0 H6 DC A 6 9.726 -2.364 -1.083 1.00 0.22 H new ATOM 191 P DG A 7 11.146 -1.735 -6.863 1.00 0.09 P ATOM 192 OP1 DG A 7 12.077 -1.555 -8.000 1.00 0.11 O ATOM 193 OP2 DG A 7 10.571 -0.552 -6.185 1.00 0.10 O ATOM 194 O5' DG A 7 9.933 -2.676 -7.349 1.00 0.15 O ATOM 195 C5' DG A 7 8.709 -2.096 -7.820 1.00 0.21 C ATOM 196 C4' DG A 7 7.655 -3.141 -8.159 1.00 0.20 C ATOM 197 O4' DG A 7 7.350 -3.955 -6.999 1.00 0.14 O ATOM 198 C3' DG A 7 6.358 -2.472 -8.602 1.00 0.25 C ATOM 199 O3' DG A 7 5.788 -3.145 -9.732 1.00 0.28 O ATOM 200 C2' DG A 7 5.456 -2.587 -7.418 1.00 0.22 C ATOM 201 C1' DG A 7 5.964 -3.776 -6.633 1.00 0.14 C ATOM 202 N9 DG A 7 5.817 -3.570 -5.183 1.00 0.14 N ATOM 203 C8 DG A 7 5.351 -4.419 -4.239 1.00 0.13 C ATOM 204 N7 DG A 7 5.330 -4.001 -3.020 1.00 0.14 N ATOM 205 C5 DG A 7 5.842 -2.708 -3.151 1.00 0.13 C ATOM 206 C6 DG A 7 6.073 -1.716 -2.161 1.00 0.16 C ATOM 207 O6 DG A 7 5.867 -1.784 -0.951 1.00 0.20 O ATOM 208 N1 DG A 7 6.598 -0.556 -2.719 1.00 0.14 N ATOM 209 C2 DG A 7 6.868 -0.372 -4.063 1.00 0.12 C ATOM 210 N2 DG A 7 7.368 0.812 -4.411 1.00 0.12 N ATOM 211 N3 DG A 7 6.653 -1.302 -4.996 1.00 0.12 N ATOM 212 C4 DG A 7 6.142 -2.438 -4.475 1.00 0.13 C ATOM 0 H5' DG A 7 8.914 -1.493 -8.705 1.00 0.21 H new ATOM 0 H5'' DG A 7 8.315 -1.422 -7.059 1.00 0.21 H new ATOM 0 H4' DG A 7 8.059 -3.758 -8.961 1.00 0.20 H new ATOM 0 H3' DG A 7 6.517 -1.439 -8.912 1.00 0.25 H new ATOM 0 H2' DG A 7 5.483 -1.679 -6.815 1.00 0.22 H new ATOM 0 H2'' DG A 7 4.421 -2.734 -7.727 1.00 0.22 H new ATOM 0 H1' DG A 7 5.382 -4.667 -6.869 1.00 0.14 H new ATOM 0 H8 DG A 7 5.009 -5.410 -4.497 1.00 0.13 H new ATOM 0 H1 DG A 7 6.800 0.220 -2.088 1.00 0.14 H new ATOM 0 H21 DG A 7 7.587 1.006 -5.388 1.00 0.12 H new ATOM 0 H22 DG A 7 7.532 1.525 -3.700 1.00 0.12 H new ATOM 224 P DG A 8 5.663 -4.755 -9.763 1.00 0.13 P ATOM 225 OP1 DG A 8 7.015 -5.328 -9.580 1.00 0.31 O ATOM 226 OP2 DG A 8 4.860 -5.131 -10.948 1.00 0.14 O ATOM 227 O5' DG A 8 4.794 -5.084 -8.443 1.00 0.14 O ATOM 228 C5' DG A 8 3.360 -5.119 -8.496 1.00 0.10 C ATOM 229 C4' DG A 8 2.759 -6.171 -7.573 1.00 0.09 C ATOM 230 O4' DG A 8 3.188 -5.988 -6.200 1.00 0.15 O ATOM 231 C3' DG A 8 1.238 -6.106 -7.591 1.00 0.07 C ATOM 232 O3' DG A 8 0.678 -7.280 -8.190 1.00 0.09 O ATOM 233 C2' DG A 8 0.832 -5.988 -6.149 1.00 0.09 C ATOM 234 C1' DG A 8 2.071 -6.263 -5.332 1.00 0.07 C ATOM 235 N9 DG A 8 2.093 -5.434 -4.111 1.00 0.12 N ATOM 236 C8 DG A 8 1.761 -5.769 -2.838 1.00 0.16 C ATOM 237 N7 DG A 8 1.854 -4.851 -1.931 1.00 0.21 N ATOM 238 C5 DG A 8 2.305 -3.759 -2.683 1.00 0.19 C ATOM 239 C6 DG A 8 2.608 -2.434 -2.274 1.00 0.23 C ATOM 240 O6 DG A 8 2.538 -1.949 -1.146 1.00 0.26 O ATOM 241 N1 DG A 8 3.027 -1.654 -3.343 1.00 0.25 N ATOM 242 C2 DG A 8 3.144 -2.089 -4.648 1.00 0.24 C ATOM 243 N2 DG A 8 3.557 -1.187 -5.537 1.00 0.30 N ATOM 244 N3 DG A 8 2.863 -3.333 -5.042 1.00 0.20 N ATOM 245 C4 DG A 8 2.452 -4.112 -4.018 1.00 0.16 C ATOM 0 H5' DG A 8 3.044 -5.318 -9.520 1.00 0.10 H new ATOM 0 H5'' DG A 8 2.967 -4.139 -8.226 1.00 0.10 H new ATOM 0 H4' DG A 8 3.105 -7.136 -7.942 1.00 0.09 H new ATOM 0 H3' DG A 8 0.876 -5.266 -8.184 1.00 0.07 H new ATOM 0 H2' DG A 8 0.440 -4.993 -5.936 1.00 0.09 H new ATOM 0 H2'' DG A 8 0.043 -6.700 -5.909 1.00 0.09 H new ATOM 0 H1' DG A 8 2.105 -7.295 -4.983 1.00 0.07 H new ATOM 0 H8 DG A 8 1.431 -6.767 -2.591 1.00 0.16 H new ATOM 0 H1 DG A 8 3.268 -0.682 -3.149 1.00 0.25 H new ATOM 0 H21 DG A 8 3.663 -1.448 -6.517 1.00 0.30 H new ATOM 0 H22 DG A 8 3.767 -0.235 -5.237 1.00 0.30 H new ATOM 257 P DG A 9 0.837 -8.718 -7.485 1.00 0.09 P ATOM 258 OP1 DG A 9 2.182 -8.785 -6.870 1.00 0.16 O ATOM 259 OP2 DG A 9 0.417 -9.756 -8.453 1.00 0.10 O ATOM 260 O5' DG A 9 -0.256 -8.658 -6.304 1.00 0.10 O ATOM 261 C5' DG A 9 -0.451 -9.790 -5.446 1.00 0.10 C ATOM 262 C4' DG A 9 -1.479 -9.535 -4.351 1.00 0.13 C ATOM 263 O4' DG A 9 -1.105 -8.404 -3.536 1.00 0.15 O ATOM 264 C3' DG A 9 -2.859 -9.235 -4.929 1.00 0.14 C ATOM 265 O3' DG A 9 -3.723 -10.383 -4.887 1.00 0.15 O ATOM 266 C2' DG A 9 -3.404 -8.120 -4.080 1.00 0.18 C ATOM 267 C1' DG A 9 -2.295 -7.695 -3.138 1.00 0.14 C ATOM 268 N9 DG A 9 -2.093 -6.231 -3.180 1.00 0.15 N ATOM 269 C8 DG A 9 -1.917 -5.404 -4.239 1.00 0.19 C ATOM 270 N7 DG A 9 -1.744 -4.143 -3.996 1.00 0.20 N ATOM 271 C5 DG A 9 -1.820 -4.115 -2.598 1.00 0.14 C ATOM 272 C6 DG A 9 -1.713 -3.019 -1.701 1.00 0.15 C ATOM 273 O6 DG A 9 -1.526 -1.834 -1.964 1.00 0.25 O ATOM 274 N1 DG A 9 -1.851 -3.427 -0.380 1.00 0.10 N ATOM 275 C2 DG A 9 -2.064 -4.726 0.033 1.00 0.06 C ATOM 276 N2 DG A 9 -2.185 -4.919 1.346 1.00 0.07 N ATOM 277 N3 DG A 9 -2.163 -5.762 -0.802 1.00 0.07 N ATOM 278 C4 DG A 9 -2.033 -5.390 -2.095 1.00 0.10 C ATOM 0 H5' DG A 9 0.500 -10.060 -4.988 1.00 0.10 H new ATOM 0 H5'' DG A 9 -0.770 -10.643 -6.045 1.00 0.10 H new ATOM 0 H4' DG A 9 -1.512 -10.446 -3.754 1.00 0.13 H new ATOM 0 H3' DG A 9 -2.795 -8.960 -5.982 1.00 0.14 H new ATOM 0 H2' DG A 9 -3.723 -7.283 -4.701 1.00 0.18 H new ATOM 0 H2'' DG A 9 -4.278 -8.454 -3.521 1.00 0.18 H new ATOM 0 H1' DG A 9 -2.552 -7.938 -2.107 1.00 0.14 H new ATOM 0 H8 DG A 9 -1.921 -5.783 -5.250 1.00 0.19 H new ATOM 0 H1 DG A 9 -1.790 -2.709 0.342 1.00 0.10 H new ATOM 0 H21 DG A 9 -2.344 -5.858 1.711 1.00 0.07 H new ATOM 0 H22 DG A 9 -2.119 -4.128 1.986 1.00 0.07 H new ATOM 290 P DA A 10 -3.984 -11.200 -3.520 1.00 0.10 P ATOM 291 OP1 DA A 10 -2.686 -11.374 -2.830 1.00 0.19 O ATOM 292 OP2 DA A 10 -4.804 -12.388 -3.846 1.00 0.06 O ATOM 293 O5' DA A 10 -4.888 -10.194 -2.642 1.00 0.12 O ATOM 294 C5' DA A 10 -5.020 -10.413 -1.233 1.00 0.10 C ATOM 295 C4' DA A 10 -5.797 -9.296 -0.536 1.00 0.12 C ATOM 296 O4' DA A 10 -5.261 -8.002 -0.890 1.00 0.09 O ATOM 297 C3' DA A 10 -7.280 -9.312 -0.911 1.00 0.14 C ATOM 298 O3' DA A 10 -8.088 -9.483 0.260 1.00 0.17 O ATOM 299 C2' DA A 10 -7.542 -7.974 -1.545 1.00 0.14 C ATOM 300 C1' DA A 10 -6.339 -7.111 -1.230 1.00 0.10 C ATOM 301 N9 DA A 10 -5.967 -6.233 -2.359 1.00 0.09 N ATOM 302 C8 DA A 10 -5.915 -6.480 -3.693 1.00 0.13 C ATOM 303 N7 DA A 10 -5.534 -5.515 -4.464 1.00 0.17 N ATOM 304 C5 DA A 10 -5.298 -4.494 -3.538 1.00 0.16 C ATOM 305 C6 DA A 10 -4.863 -3.171 -3.675 1.00 0.21 C ATOM 306 N6 DA A 10 -4.569 -2.616 -4.849 1.00 0.27 N ATOM 307 N1 DA A 10 -4.739 -2.443 -2.552 1.00 0.22 N ATOM 308 C2 DA A 10 -5.024 -2.981 -1.364 1.00 0.17 C ATOM 309 N3 DA A 10 -5.443 -4.215 -1.122 1.00 0.10 N ATOM 310 C4 DA A 10 -5.559 -4.925 -2.259 1.00 0.11 C ATOM 0 H5' DA A 10 -4.029 -10.494 -0.787 1.00 0.10 H new ATOM 0 H5'' DA A 10 -5.525 -11.364 -1.062 1.00 0.10 H new ATOM 0 H4' DA A 10 -5.695 -9.471 0.535 1.00 0.12 H new ATOM 0 H3' DA A 10 -7.523 -10.133 -1.585 1.00 0.14 H new ATOM 0 H2' DA A 10 -7.677 -8.074 -2.622 1.00 0.14 H new ATOM 0 H2'' DA A 10 -8.455 -7.528 -1.149 1.00 0.14 H new ATOM 0 H1' DA A 10 -6.571 -6.441 -0.402 1.00 0.10 H new ATOM 0 H8 DA A 10 -6.182 -7.446 -4.095 1.00 0.13 H new ATOM 0 H61 DA A 10 -4.256 -1.646 -4.890 1.00 0.27 H new ATOM 0 H62 DA A 10 -4.657 -3.161 -5.707 1.00 0.27 H new ATOM 0 H2 DA A 10 -4.899 -2.339 -0.504 1.00 0.17 H new ATOM 322 P DG A 11 -9.631 -9.934 0.148 1.00 0.13 P ATOM 323 OP1 DG A 11 -10.093 -10.333 1.495 1.00 0.31 O ATOM 324 OP2 DG A 11 -9.753 -10.880 -0.984 1.00 0.30 O ATOM 325 O5' DG A 11 -10.381 -8.565 -0.257 1.00 0.20 O ATOM 326 C5' DG A 11 -10.376 -7.426 0.621 1.00 0.12 C ATOM 327 C4' DG A 11 -11.689 -7.262 1.390 1.00 0.10 C ATOM 328 O4' DG A 11 -12.779 -7.011 0.478 1.00 0.17 O ATOM 329 C3' DG A 11 -12.048 -8.508 2.217 1.00 0.11 C ATOM 330 O3' DG A 11 -11.970 -8.253 3.630 1.00 0.13 O ATOM 331 C2' DG A 11 -13.461 -8.846 1.828 1.00 0.19 C ATOM 332 C1' DG A 11 -13.936 -7.768 0.876 1.00 0.14 C ATOM 333 N9 DG A 11 -14.610 -8.359 -0.295 1.00 0.14 N ATOM 334 C8 DG A 11 -14.083 -8.822 -1.455 1.00 0.17 C ATOM 335 N7 DG A 11 -14.897 -9.300 -2.335 1.00 0.16 N ATOM 336 C5 DG A 11 -16.131 -9.142 -1.696 1.00 0.12 C ATOM 337 C6 DG A 11 -17.437 -9.478 -2.144 1.00 0.11 C ATOM 338 O6 DG A 11 -17.770 -9.989 -3.211 1.00 0.11 O ATOM 339 N1 DG A 11 -18.400 -9.154 -1.195 1.00 0.16 N ATOM 340 C2 DG A 11 -18.144 -8.578 0.032 1.00 0.18 C ATOM 341 N2 DG A 11 -19.205 -8.342 0.805 1.00 0.29 N ATOM 342 N3 DG A 11 -16.919 -8.260 0.462 1.00 0.15 N ATOM 343 C4 DG A 11 -15.964 -8.566 -0.446 1.00 0.13 C ATOM 0 H5' DG A 11 -10.187 -6.525 0.038 1.00 0.12 H new ATOM 0 H5'' DG A 11 -9.555 -7.524 1.331 1.00 0.12 H new ATOM 0 H4' DG A 11 -11.541 -6.420 2.066 1.00 0.10 H new ATOM 0 H3' DG A 11 -11.352 -9.323 2.018 1.00 0.11 H new ATOM 0 H2' DG A 11 -13.505 -9.826 1.352 1.00 0.19 H new ATOM 0 H2'' DG A 11 -14.102 -8.891 2.709 1.00 0.19 H new ATOM 0 H1' DG A 11 -14.665 -7.121 1.364 1.00 0.14 H new ATOM 0 H8 DG A 11 -13.019 -8.792 -1.636 1.00 0.17 H new ATOM 0 H1 DG A 11 -19.373 -9.358 -1.424 1.00 0.16 H new ATOM 0 H21 DG A 11 -19.082 -7.918 1.724 1.00 0.29 H new ATOM 0 H22 DG A 11 -20.139 -8.586 0.477 1.00 0.29 H new ATOM 355 P DG A 12 -10.816 -7.326 4.277 1.00 0.09 P ATOM 356 OP1 DG A 12 -9.887 -6.904 3.205 1.00 0.33 O ATOM 357 OP2 DG A 12 -10.291 -8.012 5.478 1.00 0.29 O ATOM 358 O5' DG A 12 -11.653 -6.035 4.759 1.00 0.13 O ATOM 359 C5' DG A 12 -11.098 -4.715 4.662 1.00 0.22 C ATOM 360 C4' DG A 12 -12.105 -3.639 5.053 1.00 0.17 C ATOM 361 O4' DG A 12 -12.574 -3.856 6.402 1.00 0.22 O ATOM 362 C3' DG A 12 -11.485 -2.245 4.985 1.00 0.20 C ATOM 363 O3' DG A 12 -12.279 -1.371 4.174 1.00 0.25 O ATOM 364 C2' DG A 12 -11.445 -1.748 6.403 1.00 0.20 C ATOM 365 C1' DG A 12 -12.166 -2.770 7.262 1.00 0.18 C ATOM 366 N9 DG A 12 -11.289 -3.265 8.345 1.00 0.16 N ATOM 367 C8 DG A 12 -10.011 -3.735 8.293 1.00 0.21 C ATOM 368 N7 DG A 12 -9.472 -4.117 9.401 1.00 0.13 N ATOM 369 C5 DG A 12 -10.501 -3.880 10.318 1.00 0.09 C ATOM 370 C6 DG A 12 -10.533 -4.096 11.723 1.00 0.18 C ATOM 371 O6 DG A 12 -9.647 -4.546 12.446 1.00 0.19 O ATOM 372 N1 DG A 12 -11.757 -3.726 12.267 1.00 0.27 N ATOM 373 C2 DG A 12 -12.821 -3.211 11.554 1.00 0.25 C ATOM 374 N2 DG A 12 -13.915 -2.915 12.257 1.00 0.32 N ATOM 375 N3 DG A 12 -12.799 -3.005 10.233 1.00 0.16 N ATOM 376 C4 DG A 12 -11.616 -3.359 9.680 1.00 0.10 C ATOM 0 H5' DG A 12 -10.758 -4.539 3.641 1.00 0.22 H new ATOM 0 H5'' DG A 12 -10.222 -4.642 5.306 1.00 0.22 H new ATOM 0 H4' DG A 12 -12.933 -3.702 4.347 1.00 0.17 H new ATOM 0 H3' DG A 12 -10.492 -2.275 4.536 1.00 0.20 H new ATOM 0 H2' DG A 12 -10.415 -1.624 6.737 1.00 0.20 H new ATOM 0 H2'' DG A 12 -11.926 -0.773 6.482 1.00 0.20 H new ATOM 0 H1' DG A 12 -13.034 -2.313 7.737 1.00 0.18 H new ATOM 0 H8 DG A 12 -9.470 -3.786 7.360 1.00 0.21 H new ATOM 0 H1 DG A 12 -11.879 -3.844 13.273 1.00 0.27 H new ATOM 0 H21 DG A 12 -14.735 -2.531 11.787 1.00 0.32 H new ATOM 0 H22 DG A 12 -13.932 -3.073 13.265 1.00 0.32 H new ATOM 388 P DA A 13 -12.114 -1.349 2.571 1.00 0.10 P ATOM 389 OP1 DA A 13 -13.111 -2.277 1.992 1.00 0.28 O ATOM 390 OP2 DA A 13 -10.681 -1.509 2.245 1.00 0.15 O ATOM 391 O5' DA A 13 -12.552 0.156 2.197 1.00 0.12 O ATOM 392 C5' DA A 13 -11.682 1.263 2.464 1.00 0.14 C ATOM 393 C4' DA A 13 -11.910 1.825 3.867 1.00 0.08 C ATOM 394 O4' DA A 13 -11.434 0.900 4.871 1.00 0.06 O ATOM 395 C3' DA A 13 -11.174 3.145 4.073 1.00 0.08 C ATOM 396 O3' DA A 13 -12.058 4.264 3.924 1.00 0.07 O ATOM 397 C2' DA A 13 -10.628 3.068 5.466 1.00 0.10 C ATOM 398 C1' DA A 13 -10.665 1.608 5.870 1.00 0.07 C ATOM 399 N9 DA A 13 -9.294 1.075 5.973 1.00 0.08 N ATOM 400 C8 DA A 13 -8.335 1.364 6.881 1.00 0.18 C ATOM 401 N7 DA A 13 -7.192 0.782 6.751 1.00 0.19 N ATOM 402 C5 DA A 13 -7.401 0.001 5.612 1.00 0.11 C ATOM 403 C6 DA A 13 -6.578 -0.882 4.906 1.00 0.14 C ATOM 404 N6 DA A 13 -5.318 -1.143 5.257 1.00 0.16 N ATOM 405 N1 DA A 13 -7.100 -1.485 3.826 1.00 0.23 N ATOM 406 C2 DA A 13 -8.358 -1.237 3.456 1.00 0.28 C ATOM 407 N3 DA A 13 -9.226 -0.420 4.050 1.00 0.23 N ATOM 408 C4 DA A 13 -8.679 0.172 5.130 1.00 0.11 C ATOM 0 H5' DA A 13 -11.850 2.046 1.725 1.00 0.14 H new ATOM 0 H5'' DA A 13 -10.644 0.945 2.362 1.00 0.14 H new ATOM 0 H4' DA A 13 -12.984 1.984 3.966 1.00 0.08 H new ATOM 0 H3' DA A 13 -10.387 3.291 3.333 1.00 0.08 H new ATOM 0 H2' DA A 13 -9.609 3.454 5.504 1.00 0.10 H new ATOM 0 H2'' DA A 13 -11.224 3.673 6.149 1.00 0.10 H new ATOM 0 H1' DA A 13 -11.130 1.484 6.848 1.00 0.07 H new ATOM 0 H8 DA A 13 -8.520 2.058 7.687 1.00 0.18 H new ATOM 0 H61 DA A 13 -4.760 -1.796 4.707 1.00 0.16 H new ATOM 0 H62 DA A 13 -4.912 -0.689 6.076 1.00 0.16 H new ATOM 0 H2 DA A 13 -8.711 -1.756 2.577 1.00 0.28 H new ATOM 420 P DA A 14 -11.665 5.501 2.968 1.00 0.12 P ATOM 421 OP1 DA A 14 -10.265 5.883 3.254 1.00 0.12 O ATOM 422 OP2 DA A 14 -12.740 6.515 3.054 1.00 0.18 O ATOM 423 O5' DA A 14 -11.718 4.833 1.505 1.00 0.11 O ATOM 424 C5' DA A 14 -10.851 5.278 0.457 1.00 0.08 C ATOM 425 C4' DA A 14 -9.528 4.522 0.478 1.00 0.09 C ATOM 426 O4' DA A 14 -9.772 3.112 0.655 1.00 0.09 O ATOM 427 C3' DA A 14 -8.754 4.708 -0.829 1.00 0.13 C ATOM 428 O3' DA A 14 -7.393 5.083 -0.573 1.00 0.21 O ATOM 429 C2' DA A 14 -8.825 3.378 -1.523 1.00 0.16 C ATOM 430 C1' DA A 14 -9.456 2.396 -0.556 1.00 0.13 C ATOM 431 N9 DA A 14 -10.664 1.783 -1.139 1.00 0.14 N ATOM 432 C8 DA A 14 -10.925 0.480 -1.402 1.00 0.24 C ATOM 433 N7 DA A 14 -12.070 0.192 -1.925 1.00 0.25 N ATOM 434 C5 DA A 14 -12.656 1.458 -2.028 1.00 0.14 C ATOM 435 C6 DA A 14 -13.898 1.889 -2.508 1.00 0.13 C ATOM 436 N6 DA A 14 -14.819 1.060 -2.997 1.00 0.18 N ATOM 437 N1 DA A 14 -14.153 3.210 -2.463 1.00 0.15 N ATOM 438 C2 DA A 14 -13.245 4.057 -1.978 1.00 0.18 C ATOM 439 N3 DA A 14 -12.041 3.758 -1.498 1.00 0.12 N ATOM 440 C4 DA A 14 -11.807 2.431 -1.552 1.00 0.08 C ATOM 0 H5' DA A 14 -10.664 6.346 0.565 1.00 0.08 H new ATOM 0 H5'' DA A 14 -11.339 5.136 -0.507 1.00 0.08 H new ATOM 0 H4' DA A 14 -8.939 4.921 1.304 1.00 0.09 H new ATOM 0 H3' DA A 14 -9.177 5.506 -1.439 1.00 0.13 H new ATOM 0 H2' DA A 14 -9.417 3.452 -2.435 1.00 0.16 H new ATOM 0 H2'' DA A 14 -7.829 3.044 -1.815 1.00 0.16 H new ATOM 0 H1' DA A 14 -8.762 1.583 -0.340 1.00 0.13 H new ATOM 0 H8 DA A 14 -10.201 -0.291 -1.182 1.00 0.24 H new ATOM 0 H61 DA A 14 -15.709 1.428 -3.334 1.00 0.18 H new ATOM 0 H62 DA A 14 -14.634 0.058 -3.034 1.00 0.18 H new ATOM 0 H2 DA A 14 -13.517 5.102 -1.974 1.00 0.18 H new ATOM 452 P DT A 15 -6.887 6.587 -0.871 1.00 0.20 P ATOM 453 OP1 DT A 15 -6.278 7.124 0.366 1.00 0.37 O ATOM 454 OP2 DT A 15 -7.990 7.324 -1.530 1.00 0.27 O ATOM 455 O5' DT A 15 -5.711 6.368 -1.956 1.00 0.16 O ATOM 456 C5' DT A 15 -5.966 5.647 -3.164 1.00 0.19 C ATOM 457 C4' DT A 15 -4.693 4.960 -3.691 1.00 0.17 C ATOM 458 O4' DT A 15 -4.165 4.056 -2.692 1.00 0.11 O ATOM 459 C3' DT A 15 -4.973 4.129 -4.946 1.00 0.19 C ATOM 460 O3' DT A 15 -3.885 4.211 -5.891 1.00 0.23 O ATOM 461 C2' DT A 15 -5.125 2.735 -4.425 1.00 0.16 C ATOM 462 C1' DT A 15 -4.364 2.686 -3.115 1.00 0.10 C ATOM 463 N1 DT A 15 -5.101 1.922 -2.097 1.00 0.10 N ATOM 464 C2 DT A 15 -5.440 0.620 -2.402 1.00 0.18 C ATOM 465 O2 DT A 15 -5.116 0.090 -3.462 1.00 0.25 O ATOM 466 N3 DT A 15 -6.155 -0.059 -1.436 1.00 0.23 N ATOM 467 C4 DT A 15 -6.551 0.445 -0.211 1.00 0.19 C ATOM 468 O4 DT A 15 -7.177 -0.255 0.582 1.00 0.29 O ATOM 469 C5 DT A 15 -6.155 1.816 0.015 1.00 0.12 C ATOM 470 C7 DT A 15 -6.590 2.527 1.289 1.00 0.14 C ATOM 471 C6 DT A 15 -5.454 2.496 -0.908 1.00 0.10 C ATOM 0 H5' DT A 15 -6.353 6.329 -3.921 1.00 0.19 H new ATOM 0 H5'' DT A 15 -6.738 4.898 -2.986 1.00 0.19 H new ATOM 0 H4' DT A 15 -3.983 5.754 -3.925 1.00 0.17 H new ATOM 0 H3' DT A 15 -5.852 4.479 -5.487 1.00 0.19 H new ATOM 0 H2' DT A 15 -6.176 2.489 -4.274 1.00 0.16 H new ATOM 0 H2'' DT A 15 -4.726 2.009 -5.134 1.00 0.16 H new ATOM 0 H1' DT A 15 -3.408 2.179 -3.248 1.00 0.10 H new ATOM 0 H3 DT A 15 -6.416 -1.023 -1.646 1.00 0.23 H new ATOM 0 H71 DT A 15 -7.546 2.124 1.622 1.00 0.14 H new ATOM 0 H72 DT A 15 -5.841 2.373 2.066 1.00 0.14 H new ATOM 0 H73 DT A 15 -6.695 3.594 1.093 1.00 0.14 H new ATOM 0 H6 DT A 15 -5.164 3.517 -0.706 1.00 0.10 H new ATOM 484 P DT A 16 -2.351 3.898 -5.482 1.00 0.17 P ATOM 485 OP1 DT A 16 -2.325 3.305 -4.132 1.00 0.29 O ATOM 486 OP2 DT A 16 -1.547 5.109 -5.763 1.00 0.30 O ATOM 487 O5' DT A 16 -1.919 2.756 -6.546 1.00 0.12 O ATOM 488 C5' DT A 16 -2.535 1.459 -6.540 1.00 0.24 C ATOM 489 C4' DT A 16 -3.438 1.255 -7.761 1.00 0.13 C ATOM 490 O4' DT A 16 -4.625 0.494 -7.415 1.00 0.13 O ATOM 491 C3' DT A 16 -3.888 2.591 -8.335 1.00 0.14 C ATOM 492 O3' DT A 16 -3.453 2.719 -9.693 1.00 0.09 O ATOM 493 C2' DT A 16 -5.388 2.609 -8.227 1.00 0.19 C ATOM 494 C1' DT A 16 -5.827 1.230 -7.757 1.00 0.13 C ATOM 495 N1 DT A 16 -6.750 1.297 -6.591 1.00 0.10 N ATOM 496 C2 DT A 16 -6.638 0.295 -5.642 1.00 0.14 C ATOM 497 O2 DT A 16 -5.810 -0.609 -5.740 1.00 0.20 O ATOM 498 N3 DT A 16 -7.515 0.361 -4.576 1.00 0.20 N ATOM 499 C4 DT A 16 -8.482 1.328 -4.373 1.00 0.19 C ATOM 500 O4 DT A 16 -9.211 1.288 -3.383 1.00 0.27 O ATOM 501 C5 DT A 16 -8.530 2.337 -5.406 1.00 0.11 C ATOM 502 C7 DT A 16 -9.531 3.485 -5.287 1.00 0.13 C ATOM 503 C6 DT A 16 -7.689 2.296 -6.461 1.00 0.11 C ATOM 0 H5' DT A 16 -3.122 1.339 -5.629 1.00 0.24 H new ATOM 0 H5'' DT A 16 -1.763 0.690 -6.526 1.00 0.24 H new ATOM 0 H4' DT A 16 -2.850 0.709 -8.499 1.00 0.13 H new ATOM 0 H3' DT A 16 -3.457 3.433 -7.793 1.00 0.14 H new ATOM 0 H2' DT A 16 -5.713 3.376 -7.524 1.00 0.19 H new ATOM 0 H2'' DT A 16 -5.839 2.848 -9.190 1.00 0.19 H new ATOM 0 H1' DT A 16 -6.383 0.733 -8.552 1.00 0.13 H new ATOM 0 H3 DT A 16 -7.442 -0.374 -3.872 1.00 0.20 H new ATOM 0 H71 DT A 16 -10.413 3.144 -4.744 1.00 0.13 H new ATOM 0 H72 DT A 16 -9.072 4.314 -4.749 1.00 0.13 H new ATOM 0 H73 DT A 16 -9.824 3.817 -6.283 1.00 0.13 H new ATOM 0 H6 DT A 16 -7.754 3.063 -7.219 1.00 0.11 H new ATOM 516 P DG A 17 -2.116 3.554 -10.028 1.00 0.13 P ATOM 517 OP1 DG A 17 -1.450 3.883 -8.747 1.00 0.24 O ATOM 518 OP2 DG A 17 -2.475 4.640 -10.967 1.00 0.18 O ATOM 519 O5' DG A 17 -1.188 2.495 -10.817 1.00 0.20 O ATOM 520 C5' DG A 17 -0.375 1.537 -10.113 1.00 0.17 C ATOM 521 C4' DG A 17 0.983 2.113 -9.734 1.00 0.13 C ATOM 522 O4' DG A 17 0.824 2.996 -8.603 1.00 0.10 O ATOM 523 C3' DG A 17 2.004 1.034 -9.338 1.00 0.10 C ATOM 524 O3' DG A 17 3.224 1.214 -10.089 1.00 0.10 O ATOM 525 C2' DG A 17 2.213 1.226 -7.867 1.00 0.10 C ATOM 526 C1' DG A 17 1.750 2.627 -7.567 1.00 0.07 C ATOM 527 N9 DG A 17 1.145 2.735 -6.232 1.00 0.08 N ATOM 528 C8 DG A 17 1.051 3.830 -5.459 1.00 0.09 C ATOM 529 N7 DG A 17 0.494 3.706 -4.305 1.00 0.10 N ATOM 530 C5 DG A 17 0.166 2.349 -4.288 1.00 0.09 C ATOM 531 C6 DG A 17 -0.471 1.585 -3.276 1.00 0.10 C ATOM 532 O6 DG A 17 -0.881 1.971 -2.182 1.00 0.12 O ATOM 533 N1 DG A 17 -0.612 0.252 -3.653 1.00 0.11 N ATOM 534 C2 DG A 17 -0.192 -0.284 -4.856 1.00 0.09 C ATOM 535 N2 DG A 17 -0.427 -1.590 -5.040 1.00 0.11 N ATOM 536 N3 DG A 17 0.412 0.435 -5.817 1.00 0.08 N ATOM 537 C4 DG A 17 0.560 1.738 -5.468 1.00 0.08 C ATOM 0 H5' DG A 17 -0.234 0.654 -10.736 1.00 0.17 H new ATOM 0 H5'' DG A 17 -0.895 1.212 -9.212 1.00 0.17 H new ATOM 0 H4' DG A 17 1.358 2.634 -10.615 1.00 0.13 H new ATOM 0 H3' DG A 17 1.664 0.021 -9.555 1.00 0.10 H new ATOM 0 H2' DG A 17 1.645 0.495 -7.292 1.00 0.10 H new ATOM 0 H2'' DG A 17 3.262 1.095 -7.601 1.00 0.10 H new ATOM 0 H1' DG A 17 2.600 3.309 -7.554 1.00 0.07 H new ATOM 0 H8 DG A 17 1.431 4.784 -5.795 1.00 0.09 H new ATOM 0 H1 DG A 17 -1.061 -0.379 -2.989 1.00 0.11 H new ATOM 0 H21 DG A 17 -0.140 -2.042 -5.908 1.00 0.11 H new ATOM 0 H22 DG A 17 -0.893 -2.132 -4.312 1.00 0.11 H new ATOM 549 P DG A 18 4.639 1.549 -9.381 1.00 0.10 P ATOM 550 OP1 DG A 18 5.611 1.903 -10.438 1.00 0.16 O ATOM 551 OP2 DG A 18 4.949 0.456 -8.432 1.00 0.17 O ATOM 552 O5' DG A 18 4.314 2.881 -8.527 1.00 0.12 O ATOM 553 C5' DG A 18 4.310 4.170 -9.159 1.00 0.09 C ATOM 554 C4' DG A 18 4.873 5.270 -8.269 1.00 0.09 C ATOM 555 O4' DG A 18 4.233 5.243 -6.977 1.00 0.12 O ATOM 556 C3' DG A 18 6.375 5.100 -8.052 1.00 0.06 C ATOM 557 O3' DG A 18 7.056 6.347 -8.256 1.00 0.06 O ATOM 558 C2' DG A 18 6.517 4.636 -6.633 1.00 0.11 C ATOM 559 C1' DG A 18 5.187 4.878 -5.958 1.00 0.10 C ATOM 560 N9 DG A 18 4.750 3.674 -5.238 1.00 0.11 N ATOM 561 C8 DG A 18 4.517 2.419 -5.701 1.00 0.11 C ATOM 562 N7 DG A 18 4.146 1.530 -4.840 1.00 0.13 N ATOM 563 C5 DG A 18 4.126 2.272 -3.652 1.00 0.13 C ATOM 564 C6 DG A 18 3.798 1.870 -2.328 1.00 0.15 C ATOM 565 O6 DG A 18 3.453 0.761 -1.931 1.00 0.23 O ATOM 566 N1 DG A 18 3.908 2.929 -1.434 1.00 0.15 N ATOM 567 C2 DG A 18 4.286 4.215 -1.766 1.00 0.14 C ATOM 568 N2 DG A 18 4.337 5.094 -0.769 1.00 0.19 N ATOM 569 N3 DG A 18 4.595 4.597 -3.006 1.00 0.13 N ATOM 570 C4 DG A 18 4.495 3.584 -3.893 1.00 0.13 C ATOM 0 H5' DG A 18 3.289 4.426 -9.443 1.00 0.09 H new ATOM 0 H5'' DG A 18 4.893 4.120 -10.078 1.00 0.09 H new ATOM 0 H4' DG A 18 4.684 6.218 -8.773 1.00 0.09 H new ATOM 0 H3' DG A 18 6.814 4.390 -8.753 1.00 0.06 H new ATOM 0 H2' DG A 18 6.782 3.579 -6.597 1.00 0.11 H new ATOM 0 H2'' DG A 18 7.313 5.182 -6.126 1.00 0.11 H new ATOM 0 H1' DG A 18 5.274 5.681 -5.226 1.00 0.10 H new ATOM 0 H8 DG A 18 4.637 2.174 -6.746 1.00 0.11 H new ATOM 0 H1 DG A 18 3.692 2.741 -0.455 1.00 0.15 H new ATOM 0 H21 DG A 18 4.610 6.059 -0.954 1.00 0.19 H new ATOM 0 H22 DG A 18 4.103 4.803 0.180 1.00 0.19 H new ATOM 582 P DG A 19 8.547 6.580 -7.690 1.00 0.10 P ATOM 583 OP1 DG A 19 9.003 7.919 -8.124 1.00 0.12 O ATOM 584 OP2 DG A 19 9.358 5.384 -8.012 1.00 0.15 O ATOM 585 O5' DG A 19 8.314 6.618 -6.094 1.00 0.15 O ATOM 586 C5' DG A 19 7.778 7.793 -5.466 1.00 0.15 C ATOM 587 C4' DG A 19 8.159 7.904 -4.000 1.00 0.12 C ATOM 588 O4' DG A 19 7.339 7.051 -3.174 1.00 0.11 O ATOM 589 C3' DG A 19 9.611 7.508 -3.790 1.00 0.14 C ATOM 590 O3' DG A 19 10.410 8.650 -3.449 1.00 0.20 O ATOM 591 C2' DG A 19 9.593 6.495 -2.676 1.00 0.09 C ATOM 592 C1' DG A 19 8.163 6.402 -2.186 1.00 0.06 C ATOM 593 N9 DG A 19 7.754 4.998 -1.997 1.00 0.08 N ATOM 594 C8 DG A 19 7.549 4.029 -2.919 1.00 0.07 C ATOM 595 N7 DG A 19 7.174 2.870 -2.495 1.00 0.11 N ATOM 596 C5 DG A 19 7.119 3.073 -1.114 1.00 0.12 C ATOM 597 C6 DG A 19 6.768 2.167 -0.076 1.00 0.17 C ATOM 598 O6 DG A 19 6.436 0.988 -0.176 1.00 0.21 O ATOM 599 N1 DG A 19 6.840 2.772 1.175 1.00 0.19 N ATOM 600 C2 DG A 19 7.206 4.087 1.399 1.00 0.18 C ATOM 601 N2 DG A 19 7.217 4.490 2.669 1.00 0.27 N ATOM 602 N3 DG A 19 7.538 4.944 0.425 1.00 0.14 N ATOM 603 C4 DG A 19 7.474 4.375 -0.800 1.00 0.10 C ATOM 0 H5' DG A 19 6.692 7.783 -5.554 1.00 0.15 H new ATOM 0 H5'' DG A 19 8.133 8.677 -5.997 1.00 0.15 H new ATOM 0 H4' DG A 19 8.006 8.944 -3.714 1.00 0.12 H new ATOM 0 H3' DG A 19 10.054 7.094 -4.696 1.00 0.14 H new ATOM 0 H2' DG A 19 9.943 5.526 -3.030 1.00 0.09 H new ATOM 0 H2'' DG A 19 10.259 6.798 -1.868 1.00 0.09 H new ATOM 0 H1' DG A 19 8.058 6.887 -1.216 1.00 0.06 H new ATOM 0 H8 DG A 19 7.694 4.219 -3.972 1.00 0.07 H new ATOM 0 H1 DG A 19 6.605 2.203 1.988 1.00 0.19 H new ATOM 0 H21 DG A 19 7.478 5.449 2.897 1.00 0.27 H new ATOM 0 H22 DG A 19 6.964 3.839 3.413 1.00 0.27 H new ATOM 615 P DC A 20 10.225 9.411 -2.039 1.00 0.12 P ATOM 616 OP1 DC A 20 11.157 10.560 -2.012 1.00 0.43 O ATOM 617 OP2 DC A 20 10.269 8.402 -0.956 1.00 0.50 O ATOM 618 O5' DC A 20 8.722 9.985 -2.131 1.00 0.46 O ATOM 619 C5' DC A 20 8.066 10.479 -0.958 1.00 0.31 C ATOM 620 C4' DC A 20 7.165 11.673 -1.271 1.00 0.26 C ATOM 621 O4' DC A 20 7.925 12.735 -1.888 1.00 0.38 O ATOM 622 C3' DC A 20 6.032 11.283 -2.216 1.00 0.25 C ATOM 623 O3' DC A 20 4.760 11.532 -1.607 1.00 0.18 O ATOM 624 C2' DC A 20 6.213 12.134 -3.442 1.00 0.36 C ATOM 625 C1' DC A 20 7.345 13.100 -3.160 1.00 0.31 C ATOM 626 N1 DC A 20 8.362 13.041 -4.230 1.00 0.23 N ATOM 627 C2 DC A 20 8.504 14.153 -5.048 1.00 0.22 C ATOM 628 O2 DC A 20 7.799 15.144 -4.870 1.00 0.26 O ATOM 629 N3 DC A 20 9.437 14.110 -6.038 1.00 0.21 N ATOM 630 C4 DC A 20 10.198 13.022 -6.219 1.00 0.19 C ATOM 631 N4 DC A 20 11.102 13.012 -7.198 1.00 0.27 N ATOM 632 C5 DC A 20 10.053 11.874 -5.378 1.00 0.20 C ATOM 633 C6 DC A 20 9.127 11.928 -4.402 1.00 0.23 C ATOM 0 H5' DC A 20 8.813 10.771 -0.220 1.00 0.31 H new ATOM 0 H5'' DC A 20 7.471 9.682 -0.512 1.00 0.31 H new ATOM 0 H4' DC A 20 6.745 12.012 -0.324 1.00 0.26 H new ATOM 0 H3' DC A 20 6.059 10.221 -2.460 1.00 0.25 H new ATOM 0 H2' DC A 20 6.444 11.514 -4.309 1.00 0.36 H new ATOM 0 H2'' DC A 20 5.295 12.675 -3.673 1.00 0.36 H new ATOM 0 H1' DC A 20 6.969 14.122 -3.127 1.00 0.31 H new ATOM 0 H41 DC A 20 11.686 12.189 -7.344 1.00 0.27 H new ATOM 0 H42 DC A 20 11.210 13.828 -7.801 1.00 0.27 H new ATOM 0 H5 DC A 20 10.664 10.995 -5.521 1.00 0.20 H new ATOM 0 H6 DC A 20 8.990 11.079 -3.749 1.00 0.23 H new ATOM 645 P DG A 21 3.392 11.259 -2.414 1.00 0.14 P ATOM 646 OP1 DG A 21 3.670 11.400 -3.860 1.00 0.12 O ATOM 647 OP2 DG A 21 2.318 12.063 -1.788 1.00 0.25 O ATOM 648 O5' DG A 21 3.102 9.706 -2.106 1.00 0.13 O ATOM 649 C5' DG A 21 1.875 9.307 -1.478 1.00 0.15 C ATOM 650 C4' DG A 21 1.773 9.796 -0.040 1.00 0.13 C ATOM 651 O4' DG A 21 0.529 9.357 0.555 1.00 0.16 O ATOM 652 C3' DG A 21 2.923 9.258 0.805 1.00 0.11 C ATOM 653 O3' DG A 21 3.625 10.327 1.448 1.00 0.16 O ATOM 654 C2' DG A 21 2.288 8.353 1.822 1.00 0.09 C ATOM 655 C1' DG A 21 0.787 8.533 1.712 1.00 0.12 C ATOM 656 N9 DG A 21 0.120 7.226 1.584 1.00 0.09 N ATOM 657 C8 DG A 21 -0.446 6.448 2.539 1.00 0.12 C ATOM 658 N7 DG A 21 -0.934 5.312 2.171 1.00 0.11 N ATOM 659 C5 DG A 21 -0.671 5.317 0.798 1.00 0.08 C ATOM 660 C6 DG A 21 -0.963 4.338 -0.190 1.00 0.12 C ATOM 661 O6 DG A 21 -1.517 3.251 -0.043 1.00 0.15 O ATOM 662 N1 DG A 21 -0.531 4.737 -1.448 1.00 0.14 N ATOM 663 C2 DG A 21 0.108 5.936 -1.725 1.00 0.12 C ATOM 664 N2 DG A 21 0.440 6.156 -2.995 1.00 0.15 N ATOM 665 N3 DG A 21 0.387 6.858 -0.800 1.00 0.08 N ATOM 666 C4 DG A 21 -0.026 6.488 0.432 1.00 0.06 C ATOM 0 H5' DG A 21 1.798 8.220 -1.495 1.00 0.15 H new ATOM 0 H5'' DG A 21 1.033 9.696 -2.052 1.00 0.15 H new ATOM 0 H4' DG A 21 1.816 10.885 -0.063 1.00 0.13 H new ATOM 0 H3' DG A 21 3.655 8.728 0.195 1.00 0.11 H new ATOM 0 H2' DG A 21 2.565 7.315 1.638 1.00 0.09 H new ATOM 0 H2'' DG A 21 2.632 8.602 2.826 1.00 0.09 H new ATOM 0 H1' DG A 21 0.393 9.011 2.609 1.00 0.12 H new ATOM 0 H8 DG A 21 -0.487 6.767 3.570 1.00 0.12 H new ATOM 0 H1 DG A 21 -0.696 4.100 -2.227 1.00 0.14 H new ATOM 0 H21 DG A 21 0.912 7.022 -3.256 1.00 0.15 H new ATOM 0 H22 DG A 21 0.222 5.459 -3.707 1.00 0.15 H new ATOM 678 P DG A 22 5.089 10.085 2.074 1.00 0.12 P ATOM 679 OP1 DG A 22 5.596 11.379 2.581 1.00 0.15 O ATOM 680 OP2 DG A 22 5.887 9.312 1.098 1.00 0.15 O ATOM 681 O5' DG A 22 4.784 9.134 3.339 1.00 0.22 O ATOM 682 C5' DG A 22 4.318 9.690 4.578 1.00 0.16 C ATOM 683 C4' DG A 22 4.264 8.655 5.694 1.00 0.13 C ATOM 684 O4' DG A 22 3.443 7.528 5.304 1.00 0.12 O ATOM 685 C3' DG A 22 5.660 8.132 6.027 1.00 0.14 C ATOM 686 O3' DG A 22 5.955 8.333 7.416 1.00 0.18 O ATOM 687 C2' DG A 22 5.631 6.667 5.690 1.00 0.14 C ATOM 688 C1' DG A 22 4.189 6.298 5.429 1.00 0.11 C ATOM 689 N9 DG A 22 4.076 5.482 4.208 1.00 0.13 N ATOM 690 C8 DG A 22 4.404 5.790 2.932 1.00 0.21 C ATOM 691 N7 DG A 22 4.229 4.880 2.035 1.00 0.26 N ATOM 692 C5 DG A 22 3.718 3.823 2.793 1.00 0.21 C ATOM 693 C6 DG A 22 3.319 2.521 2.388 1.00 0.22 C ATOM 694 O6 DG A 22 3.335 2.033 1.260 1.00 0.27 O ATOM 695 N1 DG A 22 2.864 1.770 3.466 1.00 0.16 N ATOM 696 C2 DG A 22 2.800 2.216 4.774 1.00 0.12 C ATOM 697 N2 DG A 22 2.331 1.354 5.674 1.00 0.14 N ATOM 698 N3 DG A 22 3.175 3.439 5.160 1.00 0.10 N ATOM 699 C4 DG A 22 3.621 4.187 4.127 1.00 0.12 C ATOM 0 H5' DG A 22 3.325 10.115 4.432 1.00 0.16 H new ATOM 0 H5'' DG A 22 4.974 10.508 4.876 1.00 0.16 H new ATOM 0 H4' DG A 22 3.838 9.147 6.568 1.00 0.13 H new ATOM 0 H3' DG A 22 6.435 8.656 5.467 1.00 0.14 H new ATOM 0 H2' DG A 22 6.246 6.461 4.814 1.00 0.14 H new ATOM 0 H2'' DG A 22 6.037 6.075 6.510 1.00 0.14 H new ATOM 0 H1' DG A 22 3.791 5.700 6.249 1.00 0.11 H new ATOM 0 H8 DG A 22 4.798 6.762 2.674 1.00 0.21 H new ATOM 0 H1 DG A 22 2.553 0.817 3.278 1.00 0.16 H new ATOM 0 H21 DG A 22 2.261 1.628 6.654 1.00 0.14 H new ATOM 0 H22 DG A 22 2.042 0.420 5.383 1.00 0.14 H new ATOM 711 P DG A 23 7.274 7.690 8.082 1.00 0.11 P ATOM 712 OP1 DG A 23 7.503 8.349 9.387 1.00 0.14 O ATOM 713 OP2 DG A 23 8.347 7.676 7.063 1.00 0.20 O ATOM 714 O5' DG A 23 6.821 6.167 8.358 1.00 0.09 O ATOM 715 C5' DG A 23 5.972 5.851 9.471 1.00 0.15 C ATOM 716 C4' DG A 23 5.920 4.357 9.764 1.00 0.08 C ATOM 717 O4' DG A 23 5.322 3.633 8.667 1.00 0.13 O ATOM 718 C3' DG A 23 7.319 3.787 9.987 1.00 0.10 C ATOM 719 O3' DG A 23 7.450 3.255 11.309 1.00 0.20 O ATOM 720 C2' DG A 23 7.484 2.711 8.957 1.00 0.16 C ATOM 721 C1' DG A 23 6.118 2.468 8.374 1.00 0.13 C ATOM 722 N9 DG A 23 6.195 2.224 6.920 1.00 0.09 N ATOM 723 C8 DG A 23 6.574 3.060 5.923 1.00 0.10 C ATOM 724 N7 DG A 23 6.557 2.600 4.718 1.00 0.08 N ATOM 725 C5 DG A 23 6.112 1.292 4.917 1.00 0.10 C ATOM 726 C6 DG A 23 5.882 0.259 3.971 1.00 0.18 C ATOM 727 O6 DG A 23 6.028 0.302 2.750 1.00 0.25 O ATOM 728 N1 DG A 23 5.439 -0.908 4.589 1.00 0.19 N ATOM 729 C2 DG A 23 5.240 -1.061 5.946 1.00 0.14 C ATOM 730 N2 DG A 23 4.810 -2.258 6.346 1.00 0.17 N ATOM 731 N3 DG A 23 5.455 -0.092 6.842 1.00 0.08 N ATOM 732 C4 DG A 23 5.887 1.052 6.265 1.00 0.06 C ATOM 0 H5' DG A 23 4.964 6.213 9.268 1.00 0.15 H new ATOM 0 H5'' DG A 23 6.328 6.379 10.356 1.00 0.15 H new ATOM 0 H4' DG A 23 5.320 4.238 10.666 1.00 0.08 H new ATOM 0 H3' DG A 23 8.086 4.556 9.890 1.00 0.10 H new ATOM 0 H2' DG A 23 8.187 3.019 8.183 1.00 0.16 H new ATOM 0 H2'' DG A 23 7.882 1.801 9.406 1.00 0.16 H new ATOM 0 HO3' DG A 23 8.353 2.894 11.428 1.00 0.20 H new ATOM 0 H1' DG A 23 5.667 1.577 8.810 1.00 0.13 H new ATOM 0 H8 DG A 23 6.879 4.075 6.130 1.00 0.10 H new ATOM 0 H1 DG A 23 5.247 -1.712 3.992 1.00 0.19 H new ATOM 0 H21 DG A 23 4.644 -2.435 7.337 1.00 0.17 H new ATOM 0 H22 DG A 23 4.647 -2.996 5.661 1.00 0.17 H new TER 745 DG A 23