USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 242 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 Set 1.1: A 5 DT C7 :methyl 150:sc= -8.33! (180deg=-6.92!) USER MOD Set 1.2: A 6 DT C7 :methyl 150:sc= -6.43! (180deg=-4.96!) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl -30:sc= -23.6! (180deg=-31.3!) USER MOD Single : A 7 DT C7 :methyl -30:sc= -4.82! (180deg=-6.52!) USER MOD Single : A 11 DT C7 :methyl -30:sc= 0 (180deg=-0.692) USER MOD Single : A 15 DT C7 :methyl -30:sc= -1.47 (180deg=-5.26!) USER MOD Single : A 16 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 17 DT C7 :methyl -30:sc= -0.0554 (180deg=-0.941) USER MOD Single : A 18 DT C7 :methyl -30:sc= -1.97 (180deg=-3.45!) USER MOD Single : A 21 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -3.913 -6.799 -7.003 1.00 0.53 O ATOM 2 C5' DG A 1 -4.177 -6.633 -5.608 1.00 0.41 C ATOM 3 C4' DG A 1 -5.573 -6.052 -5.361 1.00 0.30 C ATOM 4 O4' DG A 1 -5.765 -5.861 -3.953 1.00 0.28 O ATOM 5 C3' DG A 1 -5.819 -4.709 -6.045 1.00 0.28 C ATOM 6 O3' DG A 1 -7.151 -4.669 -6.604 1.00 0.30 O ATOM 7 C2' DG A 1 -5.673 -3.684 -4.929 1.00 0.23 C ATOM 8 C1' DG A 1 -6.041 -4.480 -3.683 1.00 0.21 C ATOM 9 N9 DG A 1 -5.281 -4.117 -2.472 1.00 0.18 N ATOM 10 C8 DG A 1 -5.754 -3.919 -1.200 1.00 0.19 C ATOM 11 N7 DG A 1 -4.824 -3.685 -0.320 1.00 0.18 N ATOM 12 C5 DG A 1 -3.649 -3.727 -1.059 1.00 0.16 C ATOM 13 C6 DG A 1 -2.311 -3.549 -0.633 1.00 0.15 C ATOM 14 O6 DG A 1 -1.902 -3.315 0.499 1.00 0.17 O ATOM 15 N1 DG A 1 -1.419 -3.673 -1.680 1.00 0.15 N ATOM 16 C2 DG A 1 -1.770 -3.927 -2.992 1.00 0.16 C ATOM 17 N2 DG A 1 -0.778 -3.971 -3.883 1.00 0.16 N ATOM 18 N3 DG A 1 -3.031 -4.097 -3.398 1.00 0.17 N ATOM 19 C4 DG A 1 -3.915 -3.985 -2.379 1.00 0.17 C ATOM 0 H5' DG A 1 -3.426 -5.974 -5.171 1.00 0.41 H new ATOM 0 H5'' DG A 1 -4.089 -7.595 -5.104 1.00 0.41 H new ATOM 0 H4' DG A 1 -6.273 -6.772 -5.785 1.00 0.30 H new ATOM 0 H3' DG A 1 -5.130 -4.524 -6.869 1.00 0.28 H new ATOM 0 H2' DG A 1 -4.658 -3.291 -4.872 1.00 0.23 H new ATOM 0 H2'' DG A 1 -6.337 -2.832 -5.074 1.00 0.23 H new ATOM 0 HO5' DG A 1 -3.014 -7.170 -7.124 1.00 0.53 H new ATOM 0 H1' DG A 1 -7.090 -4.265 -3.478 1.00 0.21 H new ATOM 0 H8 DG A 1 -6.804 -3.954 -0.951 1.00 0.19 H new ATOM 0 H1 DG A 1 -0.426 -3.569 -1.469 1.00 0.15 H new ATOM 0 H21 DG A 1 -0.982 -4.155 -4.865 1.00 0.16 H new ATOM 0 H22 DG A 1 0.185 -3.821 -3.582 1.00 0.16 H new ATOM 32 P DG A 2 -8.488 -4.945 -5.731 1.00 0.29 P ATOM 33 OP1 DG A 2 -8.267 -6.136 -4.881 1.00 0.31 O ATOM 34 OP2 DG A 2 -9.648 -4.914 -6.652 1.00 0.39 O ATOM 35 O5' DG A 2 -8.571 -3.646 -4.781 1.00 0.24 O ATOM 36 C5' DG A 2 -9.470 -3.606 -3.668 1.00 0.25 C ATOM 37 C4' DG A 2 -9.297 -2.327 -2.851 1.00 0.19 C ATOM 38 O4' DG A 2 -7.932 -2.200 -2.443 1.00 0.19 O ATOM 39 C3' DG A 2 -9.666 -1.042 -3.610 1.00 0.19 C ATOM 40 O3' DG A 2 -10.772 -0.373 -2.960 1.00 0.21 O ATOM 41 C2' DG A 2 -8.405 -0.171 -3.551 1.00 0.18 C ATOM 42 C1' DG A 2 -7.588 -0.821 -2.446 1.00 0.16 C ATOM 43 N9 DG A 2 -6.135 -0.729 -2.609 1.00 0.16 N ATOM 44 C8 DG A 2 -5.382 -0.814 -3.748 1.00 0.16 C ATOM 45 N7 DG A 2 -4.108 -0.672 -3.543 1.00 0.16 N ATOM 46 C5 DG A 2 -4.011 -0.484 -2.174 1.00 0.14 C ATOM 47 C6 DG A 2 -2.874 -0.275 -1.371 1.00 0.14 C ATOM 48 O6 DG A 2 -1.711 -0.203 -1.710 1.00 0.16 O ATOM 49 N1 DG A 2 -3.205 -0.132 -0.052 1.00 0.13 N ATOM 50 C2 DG A 2 -4.462 -0.177 0.470 1.00 0.14 C ATOM 51 N2 DG A 2 -4.564 -0.003 1.805 1.00 0.14 N ATOM 52 N3 DG A 2 -5.550 -0.376 -0.280 1.00 0.14 N ATOM 53 C4 DG A 2 -5.243 -0.519 -1.592 1.00 0.14 C ATOM 0 H5' DG A 2 -9.298 -4.472 -3.029 1.00 0.25 H new ATOM 0 H5'' DG A 2 -10.497 -3.673 -4.027 1.00 0.25 H new ATOM 0 H4' DG A 2 -9.980 -2.426 -2.007 1.00 0.19 H new ATOM 0 H3' DG A 2 -9.977 -1.245 -4.635 1.00 0.19 H new ATOM 0 H2' DG A 2 -7.870 -0.171 -4.501 1.00 0.18 H new ATOM 0 H2'' DG A 2 -8.643 0.867 -3.319 1.00 0.18 H new ATOM 0 H1' DG A 2 -7.822 -0.291 -1.523 1.00 0.16 H new ATOM 0 H8 DG A 2 -5.808 -0.983 -4.726 1.00 0.16 H new ATOM 0 H1 DG A 2 -2.438 0.023 0.603 1.00 0.13 H new ATOM 0 H21 DG A 2 -5.480 -0.026 2.254 1.00 0.14 H new ATOM 0 H22 DG A 2 -3.725 0.152 2.365 1.00 0.14 H new ATOM 65 P DG A 3 -10.836 -0.128 -1.357 1.00 0.20 P ATOM 66 OP1 DG A 3 -9.624 -0.697 -0.734 1.00 0.22 O ATOM 67 OP2 DG A 3 -12.167 -0.557 -0.877 1.00 0.24 O ATOM 68 O5' DG A 3 -10.756 1.472 -1.221 1.00 0.24 O ATOM 69 C5' DG A 3 -10.877 2.080 0.069 1.00 0.25 C ATOM 70 C4' DG A 3 -9.899 3.234 0.242 1.00 0.22 C ATOM 71 O4' DG A 3 -8.580 2.814 -0.126 1.00 0.20 O ATOM 72 C3' DG A 3 -10.225 4.475 -0.610 1.00 0.24 C ATOM 73 O3' DG A 3 -10.380 5.613 0.242 1.00 0.26 O ATOM 74 C2' DG A 3 -8.991 4.659 -1.485 1.00 0.23 C ATOM 75 C1' DG A 3 -7.933 3.963 -0.632 1.00 0.19 C ATOM 76 N9 DG A 3 -6.680 3.553 -1.312 1.00 0.18 N ATOM 77 C8 DG A 3 -6.445 3.184 -2.618 1.00 0.19 C ATOM 78 N7 DG A 3 -5.191 2.946 -2.880 1.00 0.18 N ATOM 79 C5 DG A 3 -4.550 3.163 -1.668 1.00 0.15 C ATOM 80 C6 DG A 3 -3.174 3.057 -1.336 1.00 0.14 C ATOM 81 O6 DG A 3 -2.240 2.754 -2.078 1.00 0.17 O ATOM 82 N1 DG A 3 -2.947 3.361 0.003 1.00 0.14 N ATOM 83 C2 DG A 3 -3.919 3.718 0.903 1.00 0.16 C ATOM 84 N2 DG A 3 -3.517 3.924 2.154 1.00 0.17 N ATOM 85 N3 DG A 3 -5.209 3.823 0.592 1.00 0.17 N ATOM 86 C4 DG A 3 -5.451 3.531 -0.707 1.00 0.16 C ATOM 0 H5' DG A 3 -10.698 1.332 0.842 1.00 0.25 H new ATOM 0 H5'' DG A 3 -11.896 2.443 0.206 1.00 0.25 H new ATOM 0 H4' DG A 3 -9.975 3.513 1.293 1.00 0.22 H new ATOM 0 H3' DG A 3 -11.143 4.364 -1.188 1.00 0.24 H new ATOM 0 H2' DG A 3 -9.105 4.194 -2.464 1.00 0.23 H new ATOM 0 H2'' DG A 3 -8.758 5.710 -1.657 1.00 0.23 H new ATOM 0 H1' DG A 3 -7.587 4.680 0.113 1.00 0.19 H new ATOM 0 H8 DG A 3 -7.228 3.100 -3.357 1.00 0.19 H new ATOM 0 H1 DG A 3 -1.986 3.315 0.341 1.00 0.14 H new ATOM 0 H21 DG A 3 -4.193 4.192 2.869 1.00 0.17 H new ATOM 0 H22 DG A 3 -2.533 3.814 2.398 1.00 0.17 H new ATOM 98 P DT A 4 -11.690 5.781 1.166 1.00 0.34 P ATOM 99 OP1 DT A 4 -12.133 4.437 1.603 1.00 0.40 O ATOM 100 OP2 DT A 4 -12.640 6.677 0.467 1.00 0.46 O ATOM 101 O5' DT A 4 -11.112 6.561 2.451 1.00 0.33 O ATOM 102 C5' DT A 4 -10.200 5.926 3.357 1.00 0.34 C ATOM 103 C4' DT A 4 -8.916 6.738 3.520 1.00 0.30 C ATOM 104 O4' DT A 4 -8.127 6.190 4.586 1.00 0.29 O ATOM 105 C3' DT A 4 -8.034 6.761 2.264 1.00 0.26 C ATOM 106 O3' DT A 4 -7.857 8.109 1.812 1.00 0.27 O ATOM 107 C2' DT A 4 -6.689 6.200 2.722 1.00 0.23 C ATOM 108 C1' DT A 4 -7.032 5.467 4.023 1.00 0.25 C ATOM 109 N1 DT A 4 -7.429 4.049 3.828 1.00 0.26 N ATOM 110 C2 DT A 4 -8.532 3.554 4.525 1.00 0.32 C ATOM 111 O2 DT A 4 -9.069 4.163 5.447 1.00 0.39 O ATOM 112 N3 DT A 4 -8.961 2.296 4.161 1.00 0.34 N ATOM 113 C4 DT A 4 -8.410 1.499 3.181 1.00 0.29 C ATOM 114 O4 DT A 4 -8.876 0.389 2.941 1.00 0.34 O ATOM 115 C5 DT A 4 -7.272 2.089 2.516 1.00 0.22 C ATOM 116 C7 DT A 4 -6.701 1.424 1.278 1.00 0.19 C ATOM 117 C6 DT A 4 -6.807 3.300 2.866 1.00 0.21 C ATOM 0 H5' DT A 4 -9.957 4.929 2.991 1.00 0.34 H new ATOM 0 H5'' DT A 4 -10.678 5.801 4.328 1.00 0.34 H new ATOM 0 H4' DT A 4 -9.239 7.758 3.727 1.00 0.30 H new ATOM 0 H3' DT A 4 -8.472 6.191 1.445 1.00 0.26 H new ATOM 0 H2' DT A 4 -6.263 5.524 1.981 1.00 0.23 H new ATOM 0 H2'' DT A 4 -5.959 6.992 2.888 1.00 0.23 H new ATOM 0 H1' DT A 4 -6.149 5.434 4.662 1.00 0.25 H new ATOM 0 H3 DT A 4 -9.763 1.919 4.665 1.00 0.34 H new ATOM 0 H71 DT A 4 -6.864 0.348 1.335 1.00 0.19 H new ATOM 0 H72 DT A 4 -7.196 1.820 0.391 1.00 0.19 H new ATOM 0 H73 DT A 4 -5.632 1.626 1.217 1.00 0.19 H new ATOM 0 H6 DT A 4 -5.925 3.690 2.379 1.00 0.21 H new ATOM 130 P DT A 5 -8.662 8.671 0.531 1.00 0.27 P ATOM 131 OP1 DT A 5 -8.283 10.087 0.339 1.00 0.31 O ATOM 132 OP2 DT A 5 -10.084 8.310 0.682 1.00 0.35 O ATOM 133 O5' DT A 5 -8.067 7.813 -0.694 1.00 0.26 O ATOM 134 C5' DT A 5 -7.443 8.455 -1.814 1.00 0.27 C ATOM 135 C4' DT A 5 -5.931 8.519 -1.638 1.00 0.22 C ATOM 136 O4' DT A 5 -5.599 9.539 -0.704 1.00 0.24 O ATOM 137 C3' DT A 5 -5.344 7.226 -1.087 1.00 0.22 C ATOM 138 O3' DT A 5 -4.925 6.388 -2.186 1.00 0.29 O ATOM 139 C2' DT A 5 -4.165 7.680 -0.207 1.00 0.21 C ATOM 140 C1' DT A 5 -4.355 9.201 -0.085 1.00 0.23 C ATOM 141 N1 DT A 5 -4.419 9.672 1.311 1.00 0.24 N ATOM 142 C2 DT A 5 -3.528 10.650 1.719 1.00 0.28 C ATOM 143 O2 DT A 5 -2.723 11.171 0.951 1.00 0.32 O ATOM 144 N3 DT A 5 -3.602 11.012 3.050 1.00 0.33 N ATOM 145 C4 DT A 5 -4.469 10.491 3.994 1.00 0.32 C ATOM 146 O4 DT A 5 -4.445 10.896 5.154 1.00 0.37 O ATOM 147 C5 DT A 5 -5.360 9.475 3.473 1.00 0.28 C ATOM 148 C7 DT A 5 -6.327 8.746 4.412 1.00 0.31 C ATOM 149 C6 DT A 5 -5.309 9.116 2.178 1.00 0.24 C ATOM 0 H5' DT A 5 -7.842 9.463 -1.928 1.00 0.27 H new ATOM 0 H5'' DT A 5 -7.683 7.912 -2.728 1.00 0.27 H new ATOM 0 H4' DT A 5 -5.521 8.710 -2.630 1.00 0.22 H new ATOM 0 H3' DT A 5 -6.050 6.632 -0.506 1.00 0.22 H new ATOM 0 H2' DT A 5 -4.186 7.196 0.769 1.00 0.21 H new ATOM 0 H2'' DT A 5 -3.207 7.433 -0.665 1.00 0.21 H new ATOM 0 H1' DT A 5 -3.494 9.673 -0.558 1.00 0.23 H new ATOM 0 H3 DT A 5 -2.955 11.733 3.368 1.00 0.33 H new ATOM 0 H71 DT A 5 -7.221 8.455 3.860 1.00 0.31 H new ATOM 0 H72 DT A 5 -5.843 7.856 4.813 1.00 0.31 H new ATOM 0 H73 DT A 5 -6.606 9.408 5.232 1.00 0.31 H new ATOM 0 H6 DT A 5 -5.994 8.364 1.815 1.00 0.24 H new ATOM 162 P DT A 6 -3.446 6.440 -2.831 1.00 0.26 P ATOM 163 OP1 DT A 6 -2.961 7.839 -2.805 1.00 0.29 O ATOM 164 OP2 DT A 6 -3.477 5.699 -4.111 1.00 0.39 O ATOM 165 O5' DT A 6 -2.599 5.573 -1.780 1.00 0.21 O ATOM 166 C5' DT A 6 -1.177 5.492 -1.854 1.00 0.19 C ATOM 167 C4' DT A 6 -0.517 6.695 -1.185 1.00 0.15 C ATOM 168 O4' DT A 6 -1.127 6.917 0.086 1.00 0.17 O ATOM 169 C3' DT A 6 0.980 6.508 -0.931 1.00 0.17 C ATOM 170 O3' DT A 6 1.740 7.399 -1.752 1.00 0.22 O ATOM 171 C2' DT A 6 1.174 6.867 0.544 1.00 0.19 C ATOM 172 C1' DT A 6 -0.149 7.503 0.931 1.00 0.17 C ATOM 173 N1 DT A 6 -0.554 7.274 2.336 1.00 0.18 N ATOM 174 C2 DT A 6 0.431 7.308 3.308 1.00 0.20 C ATOM 175 O2 DT A 6 1.611 7.502 3.042 1.00 0.26 O ATOM 176 N3 DT A 6 0.009 7.115 4.604 1.00 0.21 N ATOM 177 C4 DT A 6 -1.285 6.900 5.016 1.00 0.23 C ATOM 178 O4 DT A 6 -1.549 6.763 6.207 1.00 0.28 O ATOM 179 C5 DT A 6 -2.243 6.872 3.940 1.00 0.23 C ATOM 180 C7 DT A 6 -3.705 6.600 4.253 1.00 0.30 C ATOM 181 C6 DT A 6 -1.863 7.055 2.663 1.00 0.21 C ATOM 0 H5' DT A 6 -0.868 5.439 -2.898 1.00 0.19 H new ATOM 0 H5'' DT A 6 -0.837 4.574 -1.374 1.00 0.19 H new ATOM 0 H4' DT A 6 -0.649 7.532 -1.871 1.00 0.15 H new ATOM 0 H3' DT A 6 1.311 5.496 -1.162 1.00 0.17 H new ATOM 0 H2' DT A 6 1.387 5.984 1.147 1.00 0.19 H new ATOM 0 H2'' DT A 6 2.007 7.556 0.683 1.00 0.19 H new ATOM 0 H1' DT A 6 -0.049 8.583 0.823 1.00 0.17 H new ATOM 0 H3 DT A 6 0.726 7.133 5.329 1.00 0.21 H new ATOM 0 H71 DT A 6 -4.334 7.108 3.522 1.00 0.30 H new ATOM 0 H72 DT A 6 -3.893 5.527 4.210 1.00 0.30 H new ATOM 0 H73 DT A 6 -3.938 6.969 5.252 1.00 0.30 H new ATOM 0 H6 DT A 6 -2.607 7.028 1.880 1.00 0.21 H new ATOM 194 P DT A 7 3.310 7.618 -1.460 1.00 0.20 P ATOM 195 OP1 DT A 7 3.824 6.408 -0.784 1.00 0.20 O ATOM 196 OP2 DT A 7 3.469 8.941 -0.821 1.00 0.30 O ATOM 197 O5' DT A 7 3.945 7.678 -2.939 1.00 0.19 O ATOM 198 C5' DT A 7 4.302 6.476 -3.638 1.00 0.18 C ATOM 199 C4' DT A 7 4.318 6.695 -5.155 1.00 0.22 C ATOM 200 O4' DT A 7 2.976 6.852 -5.621 1.00 0.28 O ATOM 201 C3' DT A 7 5.132 7.907 -5.623 1.00 0.24 C ATOM 202 O3' DT A 7 6.011 7.498 -6.676 1.00 0.27 O ATOM 203 C2' DT A 7 4.113 8.907 -6.177 1.00 0.32 C ATOM 204 C1' DT A 7 2.801 8.123 -6.260 1.00 0.34 C ATOM 205 N1 DT A 7 1.660 8.789 -5.594 1.00 0.38 N ATOM 206 C2 DT A 7 0.537 9.056 -6.358 1.00 0.49 C ATOM 207 O2 DT A 7 0.477 8.794 -7.557 1.00 0.57 O ATOM 208 N3 DT A 7 -0.520 9.642 -5.695 1.00 0.53 N ATOM 209 C4 DT A 7 -0.559 9.979 -4.356 1.00 0.46 C ATOM 210 O4 DT A 7 -1.557 10.506 -3.876 1.00 0.53 O ATOM 211 C5 DT A 7 0.653 9.663 -3.635 1.00 0.36 C ATOM 212 C7 DT A 7 0.734 9.933 -2.134 1.00 0.32 C ATOM 213 C6 DT A 7 1.702 9.097 -4.259 1.00 0.32 C ATOM 0 H5' DT A 7 3.594 5.685 -3.390 1.00 0.18 H new ATOM 0 H5'' DT A 7 5.284 6.139 -3.307 1.00 0.18 H new ATOM 0 H4' DT A 7 4.805 5.814 -5.572 1.00 0.22 H new ATOM 0 H3' DT A 7 5.725 8.338 -4.816 1.00 0.24 H new ATOM 0 H2' DT A 7 4.015 9.774 -5.524 1.00 0.32 H new ATOM 0 H2'' DT A 7 4.415 9.278 -7.157 1.00 0.32 H new ATOM 0 H1' DT A 7 2.569 8.039 -7.322 1.00 0.34 H new ATOM 0 H3 DT A 7 -1.354 9.846 -6.246 1.00 0.53 H new ATOM 0 H71 DT A 7 0.100 10.783 -1.883 1.00 0.32 H new ATOM 0 H72 DT A 7 0.395 9.053 -1.587 1.00 0.32 H new ATOM 0 H73 DT A 7 1.765 10.155 -1.859 1.00 0.32 H new ATOM 0 H6 DT A 7 2.597 8.880 -3.695 1.00 0.32 H new ATOM 226 P DG A 8 7.601 7.729 -6.553 1.00 0.33 P ATOM 227 OP1 DG A 8 7.829 9.057 -5.939 1.00 0.43 O ATOM 228 OP2 DG A 8 8.217 7.409 -7.861 1.00 0.44 O ATOM 229 O5' DG A 8 8.046 6.599 -5.492 1.00 0.29 O ATOM 230 C5' DG A 8 8.136 5.219 -5.877 1.00 0.26 C ATOM 231 C4' DG A 8 8.676 4.352 -4.735 1.00 0.19 C ATOM 232 O4' DG A 8 7.905 4.593 -3.550 1.00 0.19 O ATOM 233 C3' DG A 8 8.632 2.832 -5.004 1.00 0.18 C ATOM 234 O3' DG A 8 9.876 2.188 -4.623 1.00 0.18 O ATOM 235 C2' DG A 8 7.504 2.335 -4.110 1.00 0.17 C ATOM 236 C1' DG A 8 7.557 3.337 -2.971 1.00 0.15 C ATOM 237 N9 DG A 8 6.308 3.514 -2.222 1.00 0.15 N ATOM 238 C8 DG A 8 6.161 3.759 -0.884 1.00 0.16 C ATOM 239 N7 DG A 8 4.927 3.822 -0.489 1.00 0.16 N ATOM 240 C5 DG A 8 4.200 3.605 -1.653 1.00 0.14 C ATOM 241 C6 DG A 8 2.805 3.559 -1.849 1.00 0.13 C ATOM 242 O6 DG A 8 1.914 3.688 -1.024 1.00 0.15 O ATOM 243 N1 DG A 8 2.490 3.321 -3.166 1.00 0.13 N ATOM 244 C2 DG A 8 3.389 3.146 -4.188 1.00 0.13 C ATOM 245 N2 DG A 8 2.873 2.944 -5.403 1.00 0.14 N ATOM 246 N3 DG A 8 4.703 3.186 -4.014 1.00 0.13 N ATOM 247 C4 DG A 8 5.037 3.419 -2.721 1.00 0.13 C ATOM 0 H5' DG A 8 8.787 5.124 -6.746 1.00 0.26 H new ATOM 0 H5'' DG A 8 7.152 4.858 -6.175 1.00 0.26 H new ATOM 0 H4' DG A 8 9.723 4.637 -4.629 1.00 0.19 H new ATOM 0 H3' DG A 8 8.483 2.611 -6.061 1.00 0.18 H new ATOM 0 H2' DG A 8 6.541 2.345 -4.621 1.00 0.17 H new ATOM 0 H2'' DG A 8 7.672 1.314 -3.767 1.00 0.17 H new ATOM 0 H1' DG A 8 8.277 2.955 -2.247 1.00 0.15 H new ATOM 0 H8 DG A 8 6.999 3.889 -0.215 1.00 0.16 H new ATOM 0 H1 DG A 8 1.500 3.270 -3.405 1.00 0.13 H new ATOM 0 H21 DG A 8 3.491 2.807 -6.203 1.00 0.14 H new ATOM 0 H22 DG A 8 1.861 2.926 -5.531 1.00 0.14 H new ATOM 259 P DG A 9 10.869 2.756 -3.470 1.00 0.19 P ATOM 260 OP1 DG A 9 11.082 4.201 -3.708 1.00 0.24 O ATOM 261 OP2 DG A 9 12.039 1.851 -3.392 1.00 0.25 O ATOM 262 O5' DG A 9 10.010 2.586 -2.114 1.00 0.19 O ATOM 263 C5' DG A 9 9.701 1.287 -1.604 1.00 0.17 C ATOM 264 C4' DG A 9 9.239 1.333 -0.149 1.00 0.15 C ATOM 265 O4' DG A 9 7.840 1.652 -0.058 1.00 0.14 O ATOM 266 C3' DG A 9 9.424 -0.004 0.581 1.00 0.15 C ATOM 267 O3' DG A 9 10.468 0.090 1.585 1.00 0.17 O ATOM 268 C2' DG A 9 8.063 -0.257 1.223 1.00 0.14 C ATOM 269 C1' DG A 9 7.440 1.120 1.191 1.00 0.13 C ATOM 270 N9 DG A 9 5.963 1.129 1.337 1.00 0.12 N ATOM 271 C8 DG A 9 5.265 1.297 2.496 1.00 0.13 C ATOM 272 N7 DG A 9 3.966 1.194 2.370 1.00 0.13 N ATOM 273 C5 DG A 9 3.791 0.940 1.006 1.00 0.11 C ATOM 274 C6 DG A 9 2.592 0.737 0.265 1.00 0.12 C ATOM 275 O6 DG A 9 1.436 0.727 0.685 1.00 0.14 O ATOM 276 N1 DG A 9 2.853 0.515 -1.088 1.00 0.11 N ATOM 277 C2 DG A 9 4.111 0.487 -1.651 1.00 0.11 C ATOM 278 N2 DG A 9 4.173 0.261 -2.961 1.00 0.13 N ATOM 279 N3 DG A 9 5.239 0.678 -0.956 1.00 0.11 N ATOM 280 C4 DG A 9 5.008 0.899 0.362 1.00 0.11 C ATOM 0 H5' DG A 9 10.581 0.648 -1.684 1.00 0.17 H new ATOM 0 H5'' DG A 9 8.922 0.834 -2.217 1.00 0.17 H new ATOM 0 H4' DG A 9 9.859 2.099 0.317 1.00 0.15 H new ATOM 0 H3' DG A 9 9.731 -0.810 -0.085 1.00 0.15 H new ATOM 0 H2' DG A 9 7.476 -0.984 0.662 1.00 0.14 H new ATOM 0 H2'' DG A 9 8.156 -0.639 2.240 1.00 0.14 H new ATOM 0 H1' DG A 9 7.776 1.711 2.043 1.00 0.13 H new ATOM 0 H8 DG A 9 5.745 1.499 3.442 1.00 0.13 H new ATOM 0 H1 DG A 9 2.055 0.362 -1.705 1.00 0.11 H new ATOM 0 H21 DG A 9 5.078 0.230 -3.431 1.00 0.13 H new ATOM 0 H22 DG A 9 3.316 0.119 -3.495 1.00 0.13 H new ATOM 292 P DG A 10 10.550 1.287 2.678 1.00 0.19 P ATOM 293 OP1 DG A 10 10.273 2.572 1.995 1.00 0.22 O ATOM 294 OP2 DG A 10 11.801 1.124 3.453 1.00 0.24 O ATOM 295 O5' DG A 10 9.316 0.966 3.655 1.00 0.19 O ATOM 296 C5' DG A 10 9.354 -0.156 4.542 1.00 0.17 C ATOM 297 C4' DG A 10 8.010 -0.348 5.233 1.00 0.16 C ATOM 298 O4' DG A 10 6.994 -0.539 4.250 1.00 0.15 O ATOM 299 C3' DG A 10 7.951 -1.546 6.189 1.00 0.20 C ATOM 300 O3' DG A 10 7.386 -1.116 7.433 1.00 0.24 O ATOM 301 C2' DG A 10 6.997 -2.524 5.502 1.00 0.18 C ATOM 302 C1' DG A 10 6.129 -1.569 4.699 1.00 0.15 C ATOM 303 N9 DG A 10 5.452 -2.121 3.509 1.00 0.14 N ATOM 304 C8 DG A 10 5.962 -2.414 2.267 1.00 0.14 C ATOM 305 N7 DG A 10 5.056 -2.719 1.376 1.00 0.15 N ATOM 306 C5 DG A 10 3.860 -2.629 2.088 1.00 0.13 C ATOM 307 C6 DG A 10 2.522 -2.845 1.667 1.00 0.13 C ATOM 308 O6 DG A 10 2.110 -3.150 0.557 1.00 0.17 O ATOM 309 N1 DG A 10 1.629 -2.650 2.700 1.00 0.12 N ATOM 310 C2 DG A 10 1.968 -2.294 3.980 1.00 0.12 C ATOM 311 N2 DG A 10 0.975 -2.166 4.844 1.00 0.13 N ATOM 312 N3 DG A 10 3.210 -2.090 4.384 1.00 0.12 N ATOM 313 C4 DG A 10 4.103 -2.273 3.390 1.00 0.12 C ATOM 0 H5' DG A 10 10.134 -0.008 5.289 1.00 0.17 H new ATOM 0 H5'' DG A 10 9.613 -1.056 3.985 1.00 0.17 H new ATOM 0 H4' DG A 10 7.860 0.554 5.827 1.00 0.16 H new ATOM 0 H3' DG A 10 8.927 -1.986 6.392 1.00 0.20 H new ATOM 0 H2' DG A 10 7.524 -3.236 4.866 1.00 0.18 H new ATOM 0 H2'' DG A 10 6.416 -3.105 6.218 1.00 0.18 H new ATOM 0 H1' DG A 10 5.322 -1.261 5.363 1.00 0.15 H new ATOM 0 H8 DG A 10 7.019 -2.394 2.047 1.00 0.14 H new ATOM 0 H1 DG A 10 0.638 -2.781 2.496 1.00 0.12 H new ATOM 0 H21 DG A 10 1.170 -1.903 5.810 1.00 0.13 H new ATOM 0 H22 DG A 10 0.014 -2.330 4.544 1.00 0.13 H new ATOM 325 P DT A 11 8.215 -0.174 8.447 1.00 0.22 P ATOM 326 OP1 DT A 11 9.369 0.403 7.718 1.00 0.31 O ATOM 327 OP2 DT A 11 8.438 -0.932 9.693 1.00 0.34 O ATOM 328 O5' DT A 11 7.168 1.012 8.755 1.00 0.28 O ATOM 329 C5' DT A 11 7.012 2.101 7.837 1.00 0.30 C ATOM 330 C4' DT A 11 6.981 3.444 8.560 1.00 0.27 C ATOM 331 O4' DT A 11 8.086 3.526 9.468 1.00 0.40 O ATOM 332 C3' DT A 11 7.075 4.648 7.627 1.00 0.25 C ATOM 333 O3' DT A 11 5.751 5.097 7.297 1.00 0.25 O ATOM 334 C2' DT A 11 7.786 5.694 8.474 1.00 0.39 C ATOM 335 C1' DT A 11 8.679 4.829 9.392 1.00 0.44 C ATOM 336 N1 DT A 11 10.067 4.654 8.898 1.00 0.49 N ATOM 337 C2 DT A 11 10.998 5.620 9.249 1.00 0.61 C ATOM 338 O2 DT A 11 10.705 6.600 9.931 1.00 0.72 O ATOM 339 N3 DT A 11 12.285 5.420 8.789 1.00 0.70 N ATOM 340 C4 DT A 11 12.723 4.358 8.022 1.00 0.67 C ATOM 341 O4 DT A 11 13.899 4.284 7.670 1.00 0.79 O ATOM 342 C5 DT A 11 11.687 3.398 7.701 1.00 0.57 C ATOM 343 C7 DT A 11 12.027 2.176 6.852 1.00 0.68 C ATOM 344 C6 DT A 11 10.422 3.569 8.139 1.00 0.50 C ATOM 0 H5' DT A 11 6.090 1.971 7.270 1.00 0.30 H new ATOM 0 H5'' DT A 11 7.832 2.093 7.119 1.00 0.30 H new ATOM 0 H4' DT A 11 6.018 3.483 9.069 1.00 0.27 H new ATOM 0 H3' DT A 11 7.591 4.437 6.690 1.00 0.25 H new ATOM 0 H2' DT A 11 8.374 6.379 7.864 1.00 0.39 H new ATOM 0 H2'' DT A 11 7.083 6.300 9.045 1.00 0.39 H new ATOM 0 H1' DT A 11 8.740 5.342 10.352 1.00 0.44 H new ATOM 0 H3 DT A 11 12.979 6.124 9.040 1.00 0.70 H new ATOM 0 H71 DT A 11 12.840 2.422 6.169 1.00 0.68 H new ATOM 0 H72 DT A 11 12.334 1.356 7.501 1.00 0.68 H new ATOM 0 H73 DT A 11 11.150 1.876 6.279 1.00 0.68 H new ATOM 0 H6 DT A 11 9.672 2.834 7.886 1.00 0.50 H new ATOM 357 P DG A 12 5.507 6.249 6.193 1.00 0.20 P ATOM 358 OP1 DG A 12 4.863 5.626 5.017 1.00 0.28 O ATOM 359 OP2 DG A 12 6.775 6.993 6.021 1.00 0.28 O ATOM 360 O5' DG A 12 4.431 7.220 6.911 1.00 0.17 O ATOM 361 C5' DG A 12 3.024 7.112 6.627 1.00 0.16 C ATOM 362 C4' DG A 12 2.292 6.249 7.638 1.00 0.13 C ATOM 363 O4' DG A 12 1.047 5.854 7.075 1.00 0.14 O ATOM 364 C3' DG A 12 3.018 4.964 8.021 1.00 0.13 C ATOM 365 O3' DG A 12 2.579 4.551 9.328 1.00 0.15 O ATOM 366 C2' DG A 12 2.534 4.008 6.945 1.00 0.16 C ATOM 367 C1' DG A 12 1.089 4.455 6.802 1.00 0.14 C ATOM 368 N9 DG A 12 0.475 4.270 5.483 1.00 0.15 N ATOM 369 C8 DG A 12 -0.847 4.193 5.222 1.00 0.16 C ATOM 370 N7 DG A 12 -1.141 4.029 3.961 1.00 0.17 N ATOM 371 C5 DG A 12 0.101 4.006 3.341 1.00 0.15 C ATOM 372 C6 DG A 12 0.428 3.860 1.972 1.00 0.15 C ATOM 373 O6 DG A 12 -0.328 3.701 1.023 1.00 0.19 O ATOM 374 N1 DG A 12 1.794 3.902 1.772 1.00 0.14 N ATOM 375 C2 DG A 12 2.734 4.056 2.758 1.00 0.13 C ATOM 376 N2 DG A 12 4.001 4.095 2.371 1.00 0.15 N ATOM 377 N3 DG A 12 2.432 4.188 4.047 1.00 0.14 N ATOM 378 C4 DG A 12 1.102 4.156 4.266 1.00 0.14 C ATOM 0 H5' DG A 12 2.889 6.692 5.630 1.00 0.16 H new ATOM 0 H5'' DG A 12 2.581 8.108 6.616 1.00 0.16 H new ATOM 0 H4' DG A 12 2.200 6.860 8.536 1.00 0.13 H new ATOM 0 H3' DG A 12 4.104 5.037 8.072 1.00 0.13 H new ATOM 0 H2' DG A 12 3.094 4.113 6.016 1.00 0.16 H new ATOM 0 H2'' DG A 12 2.616 2.965 7.250 1.00 0.16 H new ATOM 0 H1' DG A 12 0.525 3.826 7.491 1.00 0.14 H new ATOM 0 H8 DG A 12 -1.600 4.261 5.993 1.00 0.16 H new ATOM 0 H1 DG A 12 2.131 3.811 0.813 1.00 0.14 H new ATOM 0 H21 DG A 12 4.742 4.208 3.063 1.00 0.15 H new ATOM 0 H22 DG A 12 4.235 4.012 1.382 1.00 0.15 H new ATOM 390 P DG A 13 2.654 3.013 9.812 1.00 0.16 P ATOM 391 OP1 DG A 13 2.727 2.994 11.291 1.00 0.25 O ATOM 392 OP2 DG A 13 3.687 2.313 9.016 1.00 0.20 O ATOM 393 O5' DG A 13 1.204 2.451 9.375 1.00 0.17 O ATOM 394 C5' DG A 13 0.012 3.043 9.911 1.00 0.17 C ATOM 395 C4' DG A 13 -1.245 2.233 9.586 1.00 0.14 C ATOM 396 O4' DG A 13 -1.586 2.350 8.202 1.00 0.14 O ATOM 397 C3' DG A 13 -1.127 0.730 9.879 1.00 0.16 C ATOM 398 O3' DG A 13 -1.936 0.403 11.020 1.00 0.19 O ATOM 399 C2' DG A 13 -1.697 0.057 8.623 1.00 0.15 C ATOM 400 C1' DG A 13 -2.378 1.212 7.907 1.00 0.12 C ATOM 401 N9 DG A 13 -2.498 1.064 6.436 1.00 0.12 N ATOM 402 C8 DG A 13 -3.649 0.908 5.694 1.00 0.13 C ATOM 403 N7 DG A 13 -3.454 0.825 4.414 1.00 0.14 N ATOM 404 C5 DG A 13 -2.082 0.936 4.288 1.00 0.12 C ATOM 405 C6 DG A 13 -1.313 0.923 3.126 1.00 0.12 C ATOM 406 O6 DG A 13 -1.685 0.871 1.993 1.00 0.17 O ATOM 407 N1 DG A 13 0.008 1.049 3.371 1.00 0.10 N ATOM 408 C2 DG A 13 0.582 1.183 4.613 1.00 0.10 C ATOM 409 N2 DG A 13 1.914 1.294 4.639 1.00 0.11 N ATOM 410 N3 DG A 13 -0.136 1.208 5.752 1.00 0.11 N ATOM 411 C4 DG A 13 -1.472 1.077 5.508 1.00 0.11 C ATOM 0 H5' DG A 13 -0.098 4.052 9.514 1.00 0.17 H new ATOM 0 H5'' DG A 13 0.111 3.135 10.993 1.00 0.17 H new ATOM 0 H4' DG A 13 -2.008 2.658 10.239 1.00 0.14 H new ATOM 0 H3' DG A 13 -0.106 0.415 10.096 1.00 0.16 H new ATOM 0 H2' DG A 13 -0.913 -0.392 8.013 1.00 0.15 H new ATOM 0 H2'' DG A 13 -2.401 -0.737 8.873 1.00 0.15 H new ATOM 0 H1' DG A 13 -3.409 1.275 8.255 1.00 0.12 H new ATOM 0 H8 DG A 13 -4.631 0.859 6.141 1.00 0.13 H new ATOM 0 H1 DG A 13 0.634 1.044 2.566 1.00 0.10 H new ATOM 0 H21 DG A 13 2.400 1.396 5.530 1.00 0.11 H new ATOM 0 H22 DG A 13 2.444 1.276 3.768 1.00 0.11 H new ATOM 423 P DG A 14 -1.766 -1.006 11.784 1.00 0.23 P ATOM 424 OP1 DG A 14 -2.355 -0.872 13.134 1.00 0.33 O ATOM 425 OP2 DG A 14 -0.361 -1.451 11.633 1.00 0.28 O ATOM 426 O5' DG A 14 -2.700 -1.988 10.921 1.00 0.23 O ATOM 427 C5' DG A 14 -4.116 -2.017 11.131 1.00 0.22 C ATOM 428 C4' DG A 14 -4.817 -2.793 10.027 1.00 0.21 C ATOM 429 O4' DG A 14 -4.595 -2.136 8.784 1.00 0.19 O ATOM 430 C3' DG A 14 -4.306 -4.219 9.867 1.00 0.21 C ATOM 431 O3' DG A 14 -5.155 -5.119 10.588 1.00 0.25 O ATOM 432 C2' DG A 14 -4.407 -4.499 8.368 1.00 0.19 C ATOM 433 C1' DG A 14 -4.601 -3.106 7.737 1.00 0.17 C ATOM 434 N9 DG A 14 -3.521 -2.759 6.809 1.00 0.15 N ATOM 435 C8 DG A 14 -2.221 -2.458 7.092 1.00 0.13 C ATOM 436 N7 DG A 14 -1.490 -2.239 6.047 1.00 0.13 N ATOM 437 C5 DG A 14 -2.367 -2.411 4.990 1.00 0.12 C ATOM 438 C6 DG A 14 -2.135 -2.309 3.602 1.00 0.13 C ATOM 439 O6 DG A 14 -1.097 -2.031 3.028 1.00 0.17 O ATOM 440 N1 DG A 14 -3.274 -2.566 2.877 1.00 0.13 N ATOM 441 C2 DG A 14 -4.498 -2.879 3.418 1.00 0.15 C ATOM 442 N2 DG A 14 -5.482 -3.106 2.553 1.00 0.17 N ATOM 443 N3 DG A 14 -4.726 -2.972 4.727 1.00 0.16 N ATOM 444 C4 DG A 14 -3.614 -2.727 5.448 1.00 0.14 C ATOM 0 H5' DG A 14 -4.503 -0.998 11.166 1.00 0.22 H new ATOM 0 H5'' DG A 14 -4.334 -2.474 12.096 1.00 0.22 H new ATOM 0 H4' DG A 14 -5.870 -2.832 10.306 1.00 0.21 H new ATOM 0 H3' DG A 14 -3.292 -4.346 10.247 1.00 0.21 H new ATOM 0 H2' DG A 14 -3.507 -4.985 7.992 1.00 0.19 H new ATOM 0 H2'' DG A 14 -5.244 -5.159 8.141 1.00 0.19 H new ATOM 0 H1' DG A 14 -5.541 -3.120 7.185 1.00 0.17 H new ATOM 0 H8 DG A 14 -1.836 -2.407 8.100 1.00 0.13 H new ATOM 0 H1 DG A 14 -3.206 -2.521 1.860 1.00 0.13 H new ATOM 0 H21 DG A 14 -6.414 -3.343 2.892 1.00 0.17 H new ATOM 0 H22 DG A 14 -5.304 -3.043 1.551 1.00 0.17 H new ATOM 456 P DT A 15 -4.801 -6.690 10.656 1.00 0.30 P ATOM 457 OP1 DT A 15 -5.671 -7.323 11.671 1.00 0.39 O ATOM 458 OP2 DT A 15 -3.329 -6.834 10.747 1.00 0.32 O ATOM 459 O5' DT A 15 -5.273 -7.205 9.205 1.00 0.31 O ATOM 460 C5' DT A 15 -4.460 -8.085 8.418 1.00 0.31 C ATOM 461 C4' DT A 15 -4.815 -7.972 6.936 1.00 0.31 C ATOM 462 O4' DT A 15 -4.293 -6.766 6.396 1.00 0.29 O ATOM 463 C3' DT A 15 -4.231 -9.063 6.052 1.00 0.29 C ATOM 464 O3' DT A 15 -5.114 -10.192 5.991 1.00 0.35 O ATOM 465 C2' DT A 15 -4.180 -8.396 4.675 1.00 0.26 C ATOM 466 C1' DT A 15 -4.335 -6.921 4.978 1.00 0.27 C ATOM 467 N1 DT A 15 -3.275 -6.134 4.347 1.00 0.24 N ATOM 468 C2 DT A 15 -3.522 -5.643 3.085 1.00 0.24 C ATOM 469 O2 DT A 15 -4.628 -5.721 2.560 1.00 0.29 O ATOM 470 N3 DT A 15 -2.460 -5.041 2.452 1.00 0.23 N ATOM 471 C4 DT A 15 -1.194 -4.877 2.966 1.00 0.20 C ATOM 472 O4 DT A 15 -0.309 -4.345 2.301 1.00 0.23 O ATOM 473 C5 DT A 15 -1.037 -5.399 4.299 1.00 0.20 C ATOM 474 C7 DT A 15 0.287 -5.195 5.010 1.00 0.20 C ATOM 475 C6 DT A 15 -2.061 -6.007 4.935 1.00 0.23 C ATOM 0 H5' DT A 15 -4.600 -9.113 8.753 1.00 0.31 H new ATOM 0 H5'' DT A 15 -3.407 -7.843 8.564 1.00 0.31 H new ATOM 0 H4' DT A 15 -5.903 -8.036 6.927 1.00 0.31 H new ATOM 0 H3' DT A 15 -3.269 -9.428 6.411 1.00 0.29 H new ATOM 0 H2' DT A 15 -3.239 -8.602 4.166 1.00 0.26 H new ATOM 0 H2'' DT A 15 -4.979 -8.757 4.027 1.00 0.26 H new ATOM 0 H1' DT A 15 -5.282 -6.558 4.577 1.00 0.27 H new ATOM 0 H3 DT A 15 -2.626 -4.682 1.512 1.00 0.23 H new ATOM 0 H71 DT A 15 1.092 -5.156 4.276 1.00 0.20 H new ATOM 0 H72 DT A 15 0.260 -4.259 5.569 1.00 0.20 H new ATOM 0 H73 DT A 15 0.462 -6.023 5.697 1.00 0.20 H new ATOM 0 H6 DT A 15 -1.910 -6.399 5.930 1.00 0.23 H new ATOM 488 P DT A 16 -4.771 -11.491 5.079 1.00 0.39 P ATOM 489 OP1 DT A 16 -6.019 -11.916 4.407 1.00 0.50 O ATOM 490 OP2 DT A 16 -4.024 -12.458 5.913 1.00 0.49 O ATOM 491 O5' DT A 16 -3.759 -10.928 3.950 1.00 0.32 O ATOM 492 C5' DT A 16 -4.184 -10.677 2.596 1.00 0.31 C ATOM 493 C4' DT A 16 -2.974 -10.393 1.693 1.00 0.27 C ATOM 494 O4' DT A 16 -2.080 -9.489 2.355 1.00 0.25 O ATOM 495 C3' DT A 16 -2.183 -11.651 1.326 1.00 0.28 C ATOM 496 O3' DT A 16 -2.120 -11.765 -0.109 1.00 0.30 O ATOM 497 C2' DT A 16 -0.761 -11.427 1.907 1.00 0.27 C ATOM 498 C1' DT A 16 -0.725 -9.930 2.192 1.00 0.25 C ATOM 499 N1 DT A 16 -0.003 -9.571 3.429 1.00 0.26 N ATOM 500 C2 DT A 16 1.060 -8.693 3.321 1.00 0.27 C ATOM 501 O2 DT A 16 1.424 -8.229 2.244 1.00 0.26 O ATOM 502 N3 DT A 16 1.696 -8.365 4.500 1.00 0.31 N ATOM 503 C4 DT A 16 1.372 -8.831 5.760 1.00 0.34 C ATOM 504 O4 DT A 16 2.012 -8.468 6.741 1.00 0.40 O ATOM 505 C5 DT A 16 0.251 -9.745 5.779 1.00 0.32 C ATOM 506 C7 DT A 16 -0.211 -10.343 7.106 1.00 0.38 C ATOM 507 C6 DT A 16 -0.388 -10.081 4.641 1.00 0.29 C ATOM 0 H5' DT A 16 -4.867 -9.828 2.575 1.00 0.31 H new ATOM 0 H5'' DT A 16 -4.734 -11.538 2.216 1.00 0.31 H new ATOM 0 H4' DT A 16 -3.375 -9.966 0.774 1.00 0.27 H new ATOM 0 H3' DT A 16 -2.637 -12.561 1.718 1.00 0.28 H new ATOM 0 H2' DT A 16 -0.601 -12.012 2.813 1.00 0.27 H new ATOM 0 H2'' DT A 16 0.013 -11.719 1.198 1.00 0.27 H new ATOM 0 H1' DT A 16 -0.203 -9.460 1.359 1.00 0.25 H new ATOM 0 H3 DT A 16 2.481 -7.716 4.436 1.00 0.31 H new ATOM 0 H71 DT A 16 -1.282 -10.539 7.063 1.00 0.38 H new ATOM 0 H72 DT A 16 0.321 -11.276 7.290 1.00 0.38 H new ATOM 0 H73 DT A 16 -0.002 -9.641 7.914 1.00 0.38 H new ATOM 0 H6 DT A 16 -1.221 -10.767 4.685 1.00 0.29 H new ATOM 520 P DT A 17 -1.367 -10.680 -1.043 1.00 0.24 P ATOM 521 OP1 DT A 17 -0.095 -11.279 -1.505 1.00 0.31 O ATOM 522 OP2 DT A 17 -1.353 -9.375 -0.353 1.00 0.33 O ATOM 523 O5' DT A 17 -2.364 -10.561 -2.307 1.00 0.22 O ATOM 524 C5' DT A 17 -2.103 -11.243 -3.542 1.00 0.21 C ATOM 525 C4' DT A 17 -1.403 -10.347 -4.569 1.00 0.19 C ATOM 526 O4' DT A 17 -2.189 -9.161 -4.820 1.00 0.21 O ATOM 527 C3' DT A 17 -0.015 -9.894 -4.133 1.00 0.17 C ATOM 528 O3' DT A 17 0.992 -10.607 -4.865 1.00 0.20 O ATOM 529 C2' DT A 17 0.022 -8.416 -4.492 1.00 0.17 C ATOM 530 C1' DT A 17 -1.444 -8.012 -4.395 1.00 0.19 C ATOM 531 N1 DT A 17 -1.926 -7.654 -3.042 1.00 0.18 N ATOM 532 C2 DT A 17 -1.130 -6.842 -2.248 1.00 0.20 C ATOM 533 O2 DT A 17 -0.070 -6.363 -2.631 1.00 0.22 O ATOM 534 N3 DT A 17 -1.627 -6.544 -1.003 1.00 0.25 N ATOM 535 C4 DT A 17 -2.832 -6.964 -0.485 1.00 0.28 C ATOM 536 O4 DT A 17 -3.170 -6.631 0.637 1.00 0.36 O ATOM 537 C5 DT A 17 -3.601 -7.797 -1.376 1.00 0.25 C ATOM 538 C7 DT A 17 -4.957 -8.323 -0.914 1.00 0.28 C ATOM 539 C6 DT A 17 -3.135 -8.113 -2.601 1.00 0.21 C ATOM 0 H5' DT A 17 -3.043 -11.604 -3.960 1.00 0.21 H new ATOM 0 H5'' DT A 17 -1.484 -12.119 -3.346 1.00 0.21 H new ATOM 0 H4' DT A 17 -1.300 -10.958 -5.466 1.00 0.19 H new ATOM 0 H3' DT A 17 0.174 -10.076 -3.075 1.00 0.17 H new ATOM 0 H2' DT A 17 0.645 -7.847 -3.802 1.00 0.17 H new ATOM 0 H2'' DT A 17 0.422 -8.252 -5.493 1.00 0.17 H new ATOM 0 H1' DT A 17 -1.571 -7.113 -4.999 1.00 0.19 H new ATOM 0 H3 DT A 17 -1.048 -5.955 -0.404 1.00 0.25 H new ATOM 0 H71 DT A 17 -4.949 -8.448 0.169 1.00 0.28 H new ATOM 0 H72 DT A 17 -5.736 -7.613 -1.191 1.00 0.28 H new ATOM 0 H73 DT A 17 -5.156 -9.284 -1.389 1.00 0.28 H new ATOM 0 H6 DT A 17 -3.730 -8.742 -3.247 1.00 0.21 H new ATOM 552 P DT A 18 2.533 -10.144 -4.788 1.00 0.22 P ATOM 553 OP1 DT A 18 3.326 -11.049 -5.650 1.00 0.30 O ATOM 554 OP2 DT A 18 2.898 -9.962 -3.365 1.00 0.24 O ATOM 555 O5' DT A 18 2.456 -8.686 -5.490 1.00 0.21 O ATOM 556 C5' DT A 18 3.409 -7.652 -5.207 1.00 0.19 C ATOM 557 C4' DT A 18 4.758 -7.958 -5.885 1.00 0.21 C ATOM 558 O4' DT A 18 4.611 -9.111 -6.733 1.00 0.25 O ATOM 559 C3' DT A 18 5.273 -6.847 -6.788 1.00 0.23 C ATOM 560 O3' DT A 18 6.697 -6.948 -6.936 1.00 0.30 O ATOM 561 C2' DT A 18 4.596 -7.158 -8.114 1.00 0.28 C ATOM 562 C1' DT A 18 4.552 -8.687 -8.109 1.00 0.28 C ATOM 563 N1 DT A 18 3.329 -9.263 -8.736 1.00 0.31 N ATOM 564 C2 DT A 18 3.400 -9.597 -10.079 1.00 0.45 C ATOM 565 O2 DT A 18 4.429 -9.463 -10.735 1.00 0.54 O ATOM 566 N3 DT A 18 2.242 -10.099 -10.645 1.00 0.54 N ATOM 567 C4 DT A 18 1.035 -10.294 -10.004 1.00 0.48 C ATOM 568 O4 DT A 18 0.069 -10.745 -10.614 1.00 0.59 O ATOM 569 C5 DT A 18 1.047 -9.922 -8.606 1.00 0.33 C ATOM 570 C7 DT A 18 -0.224 -10.067 -7.766 1.00 0.31 C ATOM 571 C6 DT A 18 2.161 -9.436 -8.027 1.00 0.27 C ATOM 0 H5' DT A 18 3.549 -7.564 -4.130 1.00 0.19 H new ATOM 0 H5'' DT A 18 3.028 -6.693 -5.558 1.00 0.19 H new ATOM 0 H4' DT A 18 5.463 -8.099 -5.066 1.00 0.21 H new ATOM 0 H3' DT A 18 5.065 -5.847 -6.408 1.00 0.23 H new ATOM 0 H2' DT A 18 3.598 -6.723 -8.173 1.00 0.28 H new ATOM 0 H2'' DT A 18 5.163 -6.771 -8.960 1.00 0.28 H new ATOM 0 H1' DT A 18 5.393 -9.044 -8.703 1.00 0.28 H new ATOM 0 H3 DT A 18 2.284 -10.350 -11.633 1.00 0.54 H new ATOM 0 H71 DT A 18 -1.098 -9.936 -8.403 1.00 0.31 H new ATOM 0 H72 DT A 18 -0.250 -11.058 -7.314 1.00 0.31 H new ATOM 0 H73 DT A 18 -0.230 -9.310 -6.982 1.00 0.31 H new ATOM 0 H6 DT A 18 2.138 -9.175 -6.979 1.00 0.27 H new ATOM 584 P DG A 19 7.682 -6.962 -5.655 1.00 0.32 P ATOM 585 OP1 DG A 19 9.040 -6.596 -6.116 1.00 0.42 O ATOM 586 OP2 DG A 19 7.473 -8.233 -4.925 1.00 0.40 O ATOM 587 O5' DG A 19 7.116 -5.760 -4.736 1.00 0.27 O ATOM 588 C5' DG A 19 7.490 -4.389 -4.960 1.00 0.25 C ATOM 589 C4' DG A 19 7.134 -3.920 -6.368 1.00 0.17 C ATOM 590 O4' DG A 19 5.817 -4.352 -6.692 1.00 0.16 O ATOM 591 C3' DG A 19 7.179 -2.408 -6.552 1.00 0.16 C ATOM 592 O3' DG A 19 7.712 -2.071 -7.846 1.00 0.19 O ATOM 593 C2' DG A 19 5.737 -1.966 -6.471 1.00 0.13 C ATOM 594 C1' DG A 19 4.932 -3.238 -6.738 1.00 0.13 C ATOM 595 N9 DG A 19 3.851 -3.484 -5.767 1.00 0.14 N ATOM 596 C8 DG A 19 2.537 -3.787 -6.013 1.00 0.15 C ATOM 597 N7 DG A 19 1.801 -3.864 -4.943 1.00 0.16 N ATOM 598 C5 DG A 19 2.691 -3.602 -3.910 1.00 0.14 C ATOM 599 C6 DG A 19 2.466 -3.549 -2.514 1.00 0.13 C ATOM 600 O6 DG A 19 1.412 -3.696 -1.904 1.00 0.15 O ATOM 601 N1 DG A 19 3.629 -3.262 -1.826 1.00 0.12 N ATOM 602 C2 DG A 19 4.857 -3.041 -2.395 1.00 0.13 C ATOM 603 N2 DG A 19 5.850 -2.769 -1.555 1.00 0.14 N ATOM 604 N3 DG A 19 5.077 -3.087 -3.708 1.00 0.14 N ATOM 605 C4 DG A 19 3.950 -3.372 -4.402 1.00 0.13 C ATOM 0 H5' DG A 19 8.562 -4.275 -4.801 1.00 0.25 H new ATOM 0 H5'' DG A 19 6.990 -3.753 -4.229 1.00 0.25 H new ATOM 0 H4' DG A 19 7.889 -4.355 -7.023 1.00 0.17 H new ATOM 0 H3' DG A 19 7.812 -1.928 -5.805 1.00 0.16 H new ATOM 0 H2' DG A 19 5.505 -1.547 -5.492 1.00 0.13 H new ATOM 0 H2'' DG A 19 5.516 -1.194 -7.208 1.00 0.13 H new ATOM 0 H1' DG A 19 4.465 -3.106 -7.714 1.00 0.13 H new ATOM 0 H8 DG A 19 2.147 -3.948 -7.007 1.00 0.15 H new ATOM 0 H1 DG A 19 3.569 -3.210 -0.809 1.00 0.12 H new ATOM 0 H21 DG A 19 6.789 -2.595 -1.914 1.00 0.14 H new ATOM 0 H22 DG A 19 5.674 -2.735 -0.551 1.00 0.14 H new ATOM 617 P DG A 20 7.087 -2.656 -9.221 1.00 0.22 P ATOM 618 OP1 DG A 20 7.134 -4.133 -9.168 1.00 0.28 O ATOM 619 OP2 DG A 20 7.734 -1.949 -10.348 1.00 0.34 O ATOM 620 O5' DG A 20 5.539 -2.193 -9.172 1.00 0.22 O ATOM 621 C5' DG A 20 4.586 -2.766 -10.073 1.00 0.19 C ATOM 622 C4' DG A 20 3.223 -2.083 -9.995 1.00 0.16 C ATOM 623 O4' DG A 20 2.740 -2.080 -8.658 1.00 0.15 O ATOM 624 C3' DG A 20 3.237 -0.629 -10.442 1.00 0.17 C ATOM 625 O3' DG A 20 2.824 -0.548 -11.810 1.00 0.21 O ATOM 626 C2' DG A 20 2.199 0.056 -9.545 1.00 0.16 C ATOM 627 C1' DG A 20 1.756 -1.053 -8.570 1.00 0.14 C ATOM 628 N9 DG A 20 1.689 -0.638 -7.156 1.00 0.13 N ATOM 629 C8 DG A 20 2.707 -0.291 -6.327 1.00 0.13 C ATOM 630 N7 DG A 20 2.372 -0.136 -5.094 1.00 0.13 N ATOM 631 C5 DG A 20 1.023 -0.380 -5.094 1.00 0.13 C ATOM 632 C6 DG A 20 0.128 -0.347 -4.021 1.00 0.12 C ATOM 633 O6 DG A 20 0.388 -0.119 -2.835 1.00 0.14 O ATOM 634 N1 DG A 20 -1.165 -0.639 -4.444 1.00 0.12 N ATOM 635 C2 DG A 20 -1.523 -0.924 -5.750 1.00 0.13 C ATOM 636 N2 DG A 20 -2.810 -1.116 -5.996 1.00 0.14 N ATOM 637 N3 DG A 20 -0.662 -0.963 -6.758 1.00 0.13 N ATOM 638 C4 DG A 20 0.586 -0.681 -6.357 1.00 0.13 C ATOM 0 H5' DG A 20 4.471 -3.826 -9.849 1.00 0.19 H new ATOM 0 H5'' DG A 20 4.966 -2.695 -11.092 1.00 0.19 H new ATOM 0 H4' DG A 20 2.588 -2.660 -10.668 1.00 0.16 H new ATOM 0 H3' DG A 20 4.223 -0.171 -10.364 1.00 0.17 H new ATOM 0 H2' DG A 20 2.629 0.905 -9.014 1.00 0.16 H new ATOM 0 H2'' DG A 20 1.358 0.436 -10.126 1.00 0.16 H new ATOM 0 H1' DG A 20 0.749 -1.356 -8.856 1.00 0.14 H new ATOM 0 H8 DG A 20 3.720 -0.155 -6.676 1.00 0.13 H new ATOM 0 H1 DG A 20 -1.903 -0.643 -3.740 1.00 0.12 H new ATOM 0 H21 DG A 20 -3.122 -1.329 -6.944 1.00 0.14 H new ATOM 0 H22 DG A 20 -3.489 -1.051 -5.238 1.00 0.14 H new ATOM 650 P DG A 21 2.939 0.844 -12.609 1.00 0.24 P ATOM 651 OP1 DG A 21 2.857 0.551 -14.058 1.00 0.30 O ATOM 652 OP2 DG A 21 4.098 1.596 -12.075 1.00 0.28 O ATOM 653 O5' DG A 21 1.596 1.612 -12.172 1.00 0.23 O ATOM 654 C5' DG A 21 0.373 1.408 -12.889 1.00 0.30 C ATOM 655 C4' DG A 21 -0.778 2.177 -12.252 1.00 0.28 C ATOM 656 O4' DG A 21 -1.029 1.672 -10.945 1.00 0.23 O ATOM 657 C3' DG A 21 -0.512 3.663 -12.085 1.00 0.31 C ATOM 658 O3' DG A 21 -0.831 4.395 -13.272 1.00 0.43 O ATOM 659 C2' DG A 21 -1.437 4.035 -10.937 1.00 0.26 C ATOM 660 C1' DG A 21 -1.547 2.734 -10.139 1.00 0.20 C ATOM 661 N9 DG A 21 -0.802 2.737 -8.869 1.00 0.14 N ATOM 662 C8 DG A 21 0.552 2.743 -8.655 1.00 0.14 C ATOM 663 N7 DG A 21 0.889 2.693 -7.397 1.00 0.14 N ATOM 664 C5 DG A 21 -0.332 2.658 -6.737 1.00 0.11 C ATOM 665 C6 DG A 21 -0.612 2.599 -5.354 1.00 0.11 C ATOM 666 O6 DG A 21 0.162 2.555 -4.430 1.00 0.17 O ATOM 667 N1 DG A 21 -1.957 2.582 -5.105 1.00 0.11 N ATOM 668 C2 DG A 21 -2.938 2.626 -6.067 1.00 0.14 C ATOM 669 N2 DG A 21 -4.192 2.650 -5.643 1.00 0.18 N ATOM 670 N3 DG A 21 -2.687 2.675 -7.370 1.00 0.15 N ATOM 671 C4 DG A 21 -1.365 2.688 -7.629 1.00 0.12 C ATOM 0 H5' DG A 21 0.135 0.345 -12.910 1.00 0.30 H new ATOM 0 H5'' DG A 21 0.498 1.728 -13.924 1.00 0.30 H new ATOM 0 H4' DG A 21 -1.619 2.044 -12.932 1.00 0.28 H new ATOM 0 H3' DG A 21 0.536 3.894 -11.893 1.00 0.31 H new ATOM 0 H2' DG A 21 -1.024 4.844 -10.334 1.00 0.26 H new ATOM 0 H2'' DG A 21 -2.410 4.370 -11.297 1.00 0.26 H new ATOM 0 HO3' DG A 21 -0.649 5.347 -13.128 1.00 0.43 H new ATOM 0 H1' DG A 21 -2.601 2.611 -9.890 1.00 0.20 H new ATOM 0 H8 DG A 21 1.274 2.785 -9.457 1.00 0.14 H new ATOM 0 H1 DG A 21 -2.255 2.533 -4.131 1.00 0.11 H new ATOM 0 H21 DG A 21 -4.957 2.683 -6.316 1.00 0.18 H new ATOM 0 H22 DG A 21 -4.393 2.636 -4.643 1.00 0.18 H new TER 684 DG A 21