USER MOD reduce.3.24.130724 H: found=0, std=0, add=249, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 274 hydrogens (25 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT O5' : rot -44:sc= 1.31 USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 19 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 23 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 25 DA O3' : rot -40:sc= 0.0152 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 4 5.464 -10.663 -10.583 1.00 0.90 O ATOM 2 C5' DT A 4 6.134 -11.712 -9.877 1.00 0.78 C ATOM 3 C4' DT A 4 7.634 -11.517 -9.882 1.00 0.67 C ATOM 4 O4' DT A 4 8.161 -11.877 -8.580 1.00 0.71 O ATOM 5 C3' DT A 4 8.393 -12.372 -10.903 1.00 0.64 C ATOM 6 O3' DT A 4 9.426 -11.600 -11.527 1.00 0.69 O ATOM 7 C2' DT A 4 8.992 -13.490 -10.067 1.00 0.64 C ATOM 8 C1' DT A 4 9.211 -12.817 -8.725 1.00 0.63 C ATOM 9 N1 DT A 4 9.168 -13.733 -7.567 1.00 0.65 N ATOM 10 C2 DT A 4 7.963 -14.318 -7.242 1.00 0.78 C ATOM 11 O2 DT A 4 6.933 -14.114 -7.864 1.00 0.87 O ATOM 12 N3 DT A 4 8.008 -15.154 -6.157 1.00 0.88 N ATOM 13 C4 DT A 4 9.110 -15.457 -5.382 1.00 0.82 C ATOM 14 O4 DT A 4 8.996 -16.229 -4.434 1.00 0.94 O ATOM 15 C5 DT A 4 10.340 -14.810 -5.779 1.00 0.68 C ATOM 16 C7 DT A 4 11.586 -15.081 -4.995 1.00 0.72 C ATOM 17 C6 DT A 4 10.313 -13.989 -6.839 1.00 0.64 C ATOM 0 H5' DT A 4 5.890 -12.672 -10.333 1.00 0.78 H new ATOM 0 H5'' DT A 4 5.774 -11.747 -8.849 1.00 0.78 H new ATOM 0 H4' DT A 4 7.783 -10.470 -10.145 1.00 0.67 H new ATOM 0 H3' DT A 4 7.756 -12.743 -11.706 1.00 0.64 H new ATOM 0 H2' DT A 4 8.318 -14.343 -9.988 1.00 0.64 H new ATOM 0 H2'' DT A 4 9.925 -13.859 -10.493 1.00 0.64 H new ATOM 0 HO5' DT A 4 5.848 -9.799 -10.326 1.00 0.90 H new ATOM 0 H1' DT A 4 10.210 -12.380 -8.727 1.00 0.63 H new ATOM 0 H3 DT A 4 7.131 -15.602 -5.893 1.00 0.88 H new ATOM 0 H71 DT A 4 12.453 -14.999 -5.650 1.00 0.72 H new ATOM 0 H72 DT A 4 11.672 -14.355 -4.186 1.00 0.72 H new ATOM 0 H73 DT A 4 11.541 -16.087 -4.577 1.00 0.72 H new ATOM 0 H6 DT A 4 11.231 -13.505 -7.138 1.00 0.64 H new ATOM 31 P DG A 5 9.183 -10.975 -12.989 1.00 0.60 P ATOM 32 OP1 DG A 5 7.756 -10.571 -13.070 1.00 0.99 O ATOM 33 OP2 DG A 5 9.736 -11.917 -13.995 1.00 0.79 O ATOM 34 O5' DG A 5 10.075 -9.653 -12.998 1.00 0.63 O ATOM 35 C5' DG A 5 9.480 -8.365 -13.165 1.00 0.56 C ATOM 36 C4' DG A 5 10.548 -7.325 -13.417 1.00 0.50 C ATOM 37 O4' DG A 5 11.587 -7.459 -12.413 1.00 0.52 O ATOM 38 C3' DG A 5 11.257 -7.445 -14.768 1.00 0.57 C ATOM 39 O3' DG A 5 11.597 -6.147 -15.270 1.00 0.58 O ATOM 40 C2' DG A 5 12.510 -8.232 -14.435 1.00 0.67 C ATOM 41 C1' DG A 5 12.831 -7.753 -13.030 1.00 0.63 C ATOM 42 N9 DG A 5 13.526 -8.737 -12.201 1.00 0.76 N ATOM 43 C8 DG A 5 12.957 -9.655 -11.353 1.00 0.79 C ATOM 44 N7 DG A 5 13.832 -10.406 -10.743 1.00 0.94 N ATOM 45 C5 DG A 5 15.057 -9.955 -11.217 1.00 1.04 C ATOM 46 C6 DG A 5 16.374 -10.388 -10.915 1.00 1.28 C ATOM 47 O6 DG A 5 16.729 -11.286 -10.142 1.00 1.38 O ATOM 48 N1 DG A 5 17.335 -9.662 -11.617 1.00 1.42 N ATOM 49 C2 DG A 5 17.049 -8.646 -12.499 1.00 1.36 C ATOM 50 N2 DG A 5 18.105 -8.060 -13.083 1.00 1.59 N ATOM 51 N3 DG A 5 15.826 -8.233 -12.789 1.00 1.12 N ATOM 52 C4 DG A 5 14.886 -8.927 -12.117 1.00 0.96 C ATOM 0 H5' DG A 5 8.909 -8.102 -12.275 1.00 0.56 H new ATOM 0 H5'' DG A 5 8.778 -8.386 -13.999 1.00 0.56 H new ATOM 0 H4' DG A 5 10.022 -6.371 -13.390 1.00 0.50 H new ATOM 0 H3' DG A 5 10.645 -7.920 -15.535 1.00 0.57 H new ATOM 0 H2' DG A 5 12.335 -9.307 -14.468 1.00 0.67 H new ATOM 0 H2'' DG A 5 13.321 -8.019 -15.132 1.00 0.67 H new ATOM 0 H1' DG A 5 13.502 -6.898 -13.114 1.00 0.63 H new ATOM 0 H8 DG A 5 11.891 -9.746 -11.206 1.00 0.79 H new ATOM 0 H1 DG A 5 18.315 -9.900 -11.467 1.00 1.42 H new ATOM 0 H21 DG A 5 17.963 -7.299 -13.748 1.00 1.59 H new ATOM 0 H22 DG A 5 19.050 -8.375 -12.862 1.00 1.59 H new ATOM 64 P DA A 6 10.722 -5.483 -16.447 1.00 0.61 P ATOM 65 OP1 DA A 6 9.983 -6.577 -17.127 1.00 0.66 O ATOM 66 OP2 DA A 6 11.609 -4.594 -17.241 1.00 0.74 O ATOM 67 O5' DA A 6 9.664 -4.575 -15.676 1.00 0.65 O ATOM 68 C5' DA A 6 10.080 -3.425 -14.939 1.00 0.52 C ATOM 69 C4' DA A 6 8.953 -2.933 -14.061 1.00 0.49 C ATOM 70 O4' DA A 6 8.275 -4.069 -13.482 1.00 0.51 O ATOM 71 C3' DA A 6 9.390 -2.080 -12.876 1.00 0.52 C ATOM 72 O3' DA A 6 9.395 -0.695 -13.238 1.00 0.58 O ATOM 73 C2' DA A 6 8.321 -2.356 -11.832 1.00 0.53 C ATOM 74 C1' DA A 6 7.841 -3.767 -12.162 1.00 0.50 C ATOM 75 N9 DA A 6 8.362 -4.811 -11.275 1.00 0.46 N ATOM 76 C8 DA A 6 9.616 -4.901 -10.723 1.00 0.52 C ATOM 77 N7 DA A 6 9.792 -5.969 -9.985 1.00 0.56 N ATOM 78 C5 DA A 6 8.573 -6.627 -10.053 1.00 0.51 C ATOM 79 C6 DA A 6 8.112 -7.827 -9.485 1.00 0.58 C ATOM 80 N6 DA A 6 8.860 -8.613 -8.706 1.00 0.70 N ATOM 81 N1 DA A 6 6.841 -8.200 -9.750 1.00 0.62 N ATOM 82 C2 DA A 6 6.093 -7.416 -10.535 1.00 0.61 C ATOM 83 N3 DA A 6 6.413 -6.268 -11.128 1.00 0.54 N ATOM 84 C4 DA A 6 7.682 -5.925 -10.844 1.00 0.47 C ATOM 0 H5' DA A 6 10.387 -2.636 -15.625 1.00 0.52 H new ATOM 0 H5'' DA A 6 10.947 -3.671 -14.326 1.00 0.52 H new ATOM 0 H4' DA A 6 8.333 -2.324 -14.719 1.00 0.49 H new ATOM 0 H3' DA A 6 10.396 -2.311 -12.526 1.00 0.52 H new ATOM 0 H2' DA A 6 8.725 -2.298 -10.821 1.00 0.53 H new ATOM 0 H2'' DA A 6 7.508 -1.633 -11.892 1.00 0.53 H new ATOM 0 H1' DA A 6 6.757 -3.767 -12.043 1.00 0.50 H new ATOM 0 H8 DA A 6 10.386 -4.160 -10.882 1.00 0.52 H new ATOM 0 H61 DA A 6 8.468 -9.473 -8.323 1.00 0.70 H new ATOM 0 H62 DA A 6 9.823 -8.353 -8.494 1.00 0.70 H new ATOM 0 H2 DA A 6 5.086 -7.764 -10.713 1.00 0.61 H new ATOM 96 P DG A 7 10.375 0.328 -12.478 1.00 0.88 P ATOM 97 OP1 DG A 7 11.662 0.342 -13.220 1.00 1.28 O ATOM 98 OP2 DG A 7 10.367 -0.005 -11.031 1.00 1.14 O ATOM 99 O5' DG A 7 9.677 1.748 -12.673 1.00 0.78 O ATOM 100 C5' DG A 7 9.040 2.416 -11.582 1.00 0.64 C ATOM 101 C4' DG A 7 7.557 2.122 -11.585 1.00 0.60 C ATOM 102 O4' DG A 7 7.345 0.746 -11.177 1.00 0.50 O ATOM 103 C3' DG A 7 6.730 2.976 -10.620 1.00 0.67 C ATOM 104 O3' DG A 7 5.444 3.262 -11.184 1.00 0.81 O ATOM 105 C2' DG A 7 6.595 2.086 -9.400 1.00 0.67 C ATOM 106 C1' DG A 7 6.530 0.702 -10.016 1.00 0.54 C ATOM 107 N9 DG A 7 7.030 -0.365 -9.153 1.00 0.43 N ATOM 108 C8 DG A 7 8.325 -0.558 -8.741 1.00 0.40 C ATOM 109 N7 DG A 7 8.471 -1.599 -7.968 1.00 0.36 N ATOM 110 C5 DG A 7 7.190 -2.126 -7.862 1.00 0.36 C ATOM 111 C6 DG A 7 6.721 -3.261 -7.152 1.00 0.40 C ATOM 112 O6 DG A 7 7.370 -4.046 -6.451 1.00 0.46 O ATOM 113 N1 DG A 7 5.349 -3.444 -7.311 1.00 0.44 N ATOM 114 C2 DG A 7 4.538 -2.627 -8.065 1.00 0.45 C ATOM 115 N2 DG A 7 3.236 -2.952 -8.102 1.00 0.53 N ATOM 116 N3 DG A 7 4.964 -1.567 -8.732 1.00 0.45 N ATOM 117 C4 DG A 7 6.290 -1.377 -8.587 1.00 0.39 C ATOM 0 H5' DG A 7 9.205 3.491 -11.657 1.00 0.64 H new ATOM 0 H5'' DG A 7 9.481 2.091 -10.640 1.00 0.64 H new ATOM 0 H4' DG A 7 7.229 2.340 -12.601 1.00 0.60 H new ATOM 0 H3' DG A 7 7.186 3.941 -10.396 1.00 0.67 H new ATOM 0 H2' DG A 7 7.444 2.191 -8.724 1.00 0.67 H new ATOM 0 H2'' DG A 7 5.699 2.318 -8.825 1.00 0.67 H new ATOM 0 H1' DG A 7 5.483 0.469 -10.211 1.00 0.54 H new ATOM 0 H8 DG A 7 9.142 0.088 -9.028 1.00 0.40 H new ATOM 0 H1 DG A 7 4.917 -4.237 -6.837 1.00 0.44 H new ATOM 0 H21 DG A 7 2.584 -2.385 -8.644 1.00 0.53 H new ATOM 0 H22 DG A 7 2.899 -3.766 -7.588 1.00 0.53 H new ATOM 129 P DG A 8 4.420 4.226 -10.403 1.00 0.87 P ATOM 130 OP1 DG A 8 3.830 5.151 -11.404 1.00 1.01 O ATOM 131 OP2 DG A 8 5.114 4.781 -9.213 1.00 1.01 O ATOM 132 O5' DG A 8 3.271 3.242 -9.898 1.00 0.88 O ATOM 133 C5' DG A 8 2.276 2.750 -10.797 1.00 0.99 C ATOM 134 C4' DG A 8 1.120 2.155 -10.025 1.00 0.79 C ATOM 135 O4' DG A 8 1.606 1.050 -9.219 1.00 0.71 O ATOM 136 C3' DG A 8 0.430 3.118 -9.053 1.00 0.71 C ATOM 137 O3' DG A 8 -0.986 2.907 -9.068 1.00 0.64 O ATOM 138 C2' DG A 8 1.015 2.743 -7.703 1.00 0.62 C ATOM 139 C1' DG A 8 1.266 1.254 -7.857 1.00 0.57 C ATOM 140 N9 DG A 8 2.361 0.739 -7.038 1.00 0.51 N ATOM 141 C8 DG A 8 3.666 1.165 -7.042 1.00 0.55 C ATOM 142 N7 DG A 8 4.424 0.514 -6.205 1.00 0.53 N ATOM 143 C5 DG A 8 3.568 -0.399 -5.608 1.00 0.45 C ATOM 144 C6 DG A 8 3.824 -1.377 -4.615 1.00 0.42 C ATOM 145 O6 DG A 8 4.895 -1.634 -4.053 1.00 0.48 O ATOM 146 N1 DG A 8 2.676 -2.097 -4.286 1.00 0.38 N ATOM 147 C2 DG A 8 1.439 -1.889 -4.854 1.00 0.38 C ATOM 148 N2 DG A 8 0.445 -2.675 -4.409 1.00 0.42 N ATOM 149 N3 DG A 8 1.189 -0.979 -5.782 1.00 0.42 N ATOM 150 C4 DG A 8 2.291 -0.275 -6.109 1.00 0.44 C ATOM 0 H5' DG A 8 2.710 1.996 -11.454 1.00 0.99 H new ATOM 0 H5'' DG A 8 1.919 3.560 -11.434 1.00 0.99 H new ATOM 0 H4' DG A 8 0.394 1.864 -10.784 1.00 0.79 H new ATOM 0 H3' DG A 8 0.587 4.167 -9.304 1.00 0.71 H new ATOM 0 H2' DG A 8 1.934 3.290 -7.493 1.00 0.62 H new ATOM 0 H2'' DG A 8 0.324 2.956 -6.888 1.00 0.62 H new ATOM 0 H1' DG A 8 0.369 0.726 -7.532 1.00 0.57 H new ATOM 0 H8 DG A 8 4.029 1.961 -7.676 1.00 0.55 H new ATOM 0 H1 DG A 8 2.758 -2.826 -3.578 1.00 0.38 H new ATOM 0 H21 DG A 8 -0.496 -2.572 -4.789 1.00 0.42 H new ATOM 0 H22 DG A 8 0.631 -3.375 -3.691 1.00 0.42 H new ATOM 162 P DG A 9 -1.941 3.800 -8.131 1.00 0.66 P ATOM 163 OP1 DG A 9 -3.185 4.073 -8.895 1.00 0.72 O ATOM 164 OP2 DG A 9 -1.146 4.935 -7.595 1.00 0.75 O ATOM 165 O5' DG A 9 -2.307 2.830 -6.921 1.00 0.69 O ATOM 166 C5' DG A 9 -2.738 1.490 -7.162 1.00 0.70 C ATOM 167 C4' DG A 9 -3.297 0.882 -5.896 1.00 0.43 C ATOM 168 O4' DG A 9 -2.212 0.295 -5.133 1.00 0.49 O ATOM 169 C3' DG A 9 -3.992 1.873 -4.953 1.00 0.56 C ATOM 170 O3' DG A 9 -5.167 1.282 -4.384 1.00 0.59 O ATOM 171 C2' DG A 9 -2.953 2.132 -3.877 1.00 0.60 C ATOM 172 C1' DG A 9 -2.214 0.808 -3.811 1.00 0.40 C ATOM 173 N9 DG A 9 -0.825 0.909 -3.364 1.00 0.46 N ATOM 174 C8 DG A 9 0.133 1.779 -3.827 1.00 0.58 C ATOM 175 N7 DG A 9 1.289 1.635 -3.241 1.00 0.64 N ATOM 176 C5 DG A 9 1.084 0.605 -2.332 1.00 0.54 C ATOM 177 C6 DG A 9 1.980 0.007 -1.411 1.00 0.55 C ATOM 178 O6 DG A 9 3.169 0.281 -1.214 1.00 0.66 O ATOM 179 N1 DG A 9 1.371 -1.006 -0.674 1.00 0.45 N ATOM 180 C2 DG A 9 0.056 -1.389 -0.816 1.00 0.37 C ATOM 181 N2 DG A 9 -0.357 -2.387 -0.018 1.00 0.34 N ATOM 182 N3 DG A 9 -0.791 -0.838 -1.673 1.00 0.36 N ATOM 183 C4 DG A 9 -0.213 0.146 -2.394 1.00 0.43 C ATOM 0 H5' DG A 9 -1.902 0.891 -7.522 1.00 0.70 H new ATOM 0 H5'' DG A 9 -3.497 1.480 -7.944 1.00 0.70 H new ATOM 0 H4' DG A 9 -4.041 0.162 -6.235 1.00 0.43 H new ATOM 0 H3' DG A 9 -4.318 2.783 -5.457 1.00 0.56 H new ATOM 0 H2' DG A 9 -2.289 2.955 -4.143 1.00 0.60 H new ATOM 0 H2'' DG A 9 -3.412 2.389 -2.922 1.00 0.60 H new ATOM 0 H1' DG A 9 -2.720 0.176 -3.081 1.00 0.40 H new ATOM 0 H8 DG A 9 -0.053 2.510 -4.600 1.00 0.58 H new ATOM 0 H1 DG A 9 1.937 -1.497 0.018 1.00 0.45 H new ATOM 0 H21 DG A 9 -1.320 -2.719 -0.073 1.00 0.34 H new ATOM 0 H22 DG A 9 0.292 -2.813 0.643 1.00 0.34 H new ATOM 195 P DT A 10 -6.475 1.053 -5.293 1.00 0.77 P ATOM 196 OP1 DT A 10 -6.414 2.023 -6.416 1.00 0.80 O ATOM 197 OP2 DT A 10 -7.664 1.037 -4.403 1.00 1.24 O ATOM 198 O5' DT A 10 -6.278 -0.411 -5.892 1.00 0.73 O ATOM 199 C5' DT A 10 -6.389 -1.570 -5.063 1.00 0.93 C ATOM 200 C4' DT A 10 -5.128 -1.755 -4.249 1.00 0.62 C ATOM 201 O4' DT A 10 -5.489 -1.984 -2.872 1.00 0.51 O ATOM 202 C3' DT A 10 -4.256 -2.951 -4.664 1.00 0.66 C ATOM 203 O3' DT A 10 -2.989 -2.491 -5.150 1.00 0.64 O ATOM 204 C2' DT A 10 -4.071 -3.766 -3.384 1.00 0.77 C ATOM 205 C1' DT A 10 -4.525 -2.826 -2.283 1.00 0.39 C ATOM 206 N1 DT A 10 -5.149 -3.496 -1.125 1.00 0.41 N ATOM 207 C2 DT A 10 -4.354 -3.793 -0.041 1.00 0.51 C ATOM 208 O2 DT A 10 -3.166 -3.518 0.009 1.00 0.76 O ATOM 209 N3 DT A 10 -5.005 -4.422 0.989 1.00 0.59 N ATOM 210 C4 DT A 10 -6.340 -4.771 1.042 1.00 0.71 C ATOM 211 O4 DT A 10 -6.785 -5.333 2.040 1.00 0.87 O ATOM 212 C5 DT A 10 -7.115 -4.428 -0.129 1.00 0.85 C ATOM 213 C7 DT A 10 -8.573 -4.770 -0.160 1.00 1.28 C ATOM 214 C6 DT A 10 -6.492 -3.814 -1.145 1.00 0.69 C ATOM 0 H5' DT A 10 -6.564 -2.451 -5.680 1.00 0.93 H new ATOM 0 H5'' DT A 10 -7.247 -1.470 -4.399 1.00 0.93 H new ATOM 0 H4' DT A 10 -4.551 -0.845 -4.413 1.00 0.62 H new ATOM 0 H3' DT A 10 -4.711 -3.539 -5.462 1.00 0.66 H new ATOM 0 H2' DT A 10 -4.668 -4.678 -3.402 1.00 0.77 H new ATOM 0 H2'' DT A 10 -3.032 -4.067 -3.249 1.00 0.77 H new ATOM 0 H1' DT A 10 -3.648 -2.309 -1.893 1.00 0.39 H new ATOM 0 H3 DT A 10 -4.441 -4.658 1.806 1.00 0.59 H new ATOM 0 H71 DT A 10 -9.104 -4.043 -0.774 1.00 1.28 H new ATOM 0 H72 DT A 10 -8.704 -5.766 -0.583 1.00 1.28 H new ATOM 0 H73 DT A 10 -8.973 -4.750 0.854 1.00 1.28 H new ATOM 0 H6 DT A 10 -7.069 -3.556 -2.021 1.00 0.69 H new ATOM 227 P DG A 11 -2.628 -2.644 -6.710 1.00 0.55 P ATOM 228 OP1 DG A 11 -1.325 -1.966 -6.931 1.00 0.65 O ATOM 229 OP2 DG A 11 -3.812 -2.234 -7.507 1.00 0.79 O ATOM 230 O5' DG A 11 -2.409 -4.212 -6.903 1.00 0.72 O ATOM 231 C5' DG A 11 -3.364 -5.011 -7.603 1.00 0.69 C ATOM 232 C4' DG A 11 -3.308 -6.440 -7.112 1.00 0.60 C ATOM 233 O4' DG A 11 -1.971 -6.961 -7.312 1.00 0.67 O ATOM 234 C3' DG A 11 -3.594 -6.620 -5.623 1.00 0.51 C ATOM 235 O3' DG A 11 -4.175 -7.907 -5.380 1.00 0.53 O ATOM 236 C2' DG A 11 -2.214 -6.526 -5.002 1.00 0.51 C ATOM 237 C1' DG A 11 -1.333 -7.175 -6.058 1.00 0.57 C ATOM 238 N9 DG A 11 0.017 -6.621 -6.142 1.00 0.57 N ATOM 239 C8 DG A 11 0.426 -5.548 -6.896 1.00 0.60 C ATOM 240 N7 DG A 11 1.699 -5.289 -6.777 1.00 0.61 N ATOM 241 C5 DG A 11 2.161 -6.250 -5.889 1.00 0.58 C ATOM 242 C6 DG A 11 3.464 -6.472 -5.377 1.00 0.59 C ATOM 243 O6 DG A 11 4.498 -5.840 -5.619 1.00 0.63 O ATOM 244 N1 DG A 11 3.502 -7.555 -4.500 1.00 0.56 N ATOM 245 C2 DG A 11 2.409 -8.322 -4.165 1.00 0.55 C ATOM 246 N2 DG A 11 2.633 -9.325 -3.301 1.00 0.55 N ATOM 247 N3 DG A 11 1.188 -8.124 -4.637 1.00 0.55 N ATOM 248 C4 DG A 11 1.137 -7.080 -5.487 1.00 0.55 C ATOM 0 H5' DG A 11 -3.162 -4.978 -8.674 1.00 0.69 H new ATOM 0 H5'' DG A 11 -4.365 -4.607 -7.455 1.00 0.69 H new ATOM 0 H4' DG A 11 -4.081 -6.958 -7.679 1.00 0.60 H new ATOM 0 H3' DG A 11 -4.297 -5.890 -5.221 1.00 0.51 H new ATOM 0 H2' DG A 11 -1.924 -5.493 -4.811 1.00 0.51 H new ATOM 0 H2'' DG A 11 -2.161 -7.053 -4.049 1.00 0.51 H new ATOM 0 H1' DG A 11 -1.219 -8.225 -5.790 1.00 0.57 H new ATOM 0 H8 DG A 11 -0.240 -4.976 -7.525 1.00 0.60 H new ATOM 0 H1 DG A 11 4.399 -7.795 -4.079 1.00 0.56 H new ATOM 0 H21 DG A 11 1.865 -9.930 -3.012 1.00 0.55 H new ATOM 0 H22 DG A 11 3.572 -9.481 -2.933 1.00 0.55 H new ATOM 260 P DG A 12 -5.074 -8.148 -4.067 1.00 0.51 P ATOM 261 OP1 DG A 12 -5.820 -9.415 -4.268 1.00 0.65 O ATOM 262 OP2 DG A 12 -5.819 -6.897 -3.773 1.00 0.53 O ATOM 263 O5' DG A 12 -4.006 -8.381 -2.907 1.00 0.74 O ATOM 264 C5' DG A 12 -4.343 -8.148 -1.540 1.00 0.47 C ATOM 265 C4' DG A 12 -3.134 -8.374 -0.661 1.00 0.43 C ATOM 266 O4' DG A 12 -1.956 -7.942 -1.363 1.00 0.41 O ATOM 267 C3' DG A 12 -3.134 -7.587 0.653 1.00 0.46 C ATOM 268 O3' DG A 12 -3.505 -8.443 1.739 1.00 0.55 O ATOM 269 C2' DG A 12 -1.691 -7.106 0.821 1.00 0.46 C ATOM 270 C1' DG A 12 -0.962 -7.610 -0.419 1.00 0.37 C ATOM 271 N9 DG A 12 -0.069 -6.629 -1.030 1.00 0.35 N ATOM 272 C8 DG A 12 -0.413 -5.625 -1.901 1.00 0.38 C ATOM 273 N7 DG A 12 0.600 -4.891 -2.268 1.00 0.39 N ATOM 274 C5 DG A 12 1.683 -5.445 -1.598 1.00 0.36 C ATOM 275 C6 DG A 12 3.051 -5.073 -1.603 1.00 0.41 C ATOM 276 O6 DG A 12 3.590 -4.148 -2.222 1.00 0.47 O ATOM 277 N1 DG A 12 3.818 -5.900 -0.784 1.00 0.44 N ATOM 278 C2 DG A 12 3.316 -6.954 -0.056 1.00 0.45 C ATOM 279 N2 DG A 12 4.204 -7.652 0.669 1.00 0.55 N ATOM 280 N3 DG A 12 2.041 -7.310 -0.044 1.00 0.40 N ATOM 281 C4 DG A 12 1.288 -6.518 -0.832 1.00 0.35 C ATOM 0 H5' DG A 12 -5.151 -8.814 -1.238 1.00 0.47 H new ATOM 0 H5'' DG A 12 -4.707 -7.128 -1.416 1.00 0.47 H new ATOM 0 H4' DG A 12 -3.156 -9.438 -0.427 1.00 0.43 H new ATOM 0 H3' DG A 12 -3.844 -6.760 0.642 1.00 0.46 H new ATOM 0 H2' DG A 12 -1.643 -6.019 0.893 1.00 0.46 H new ATOM 0 H2'' DG A 12 -1.245 -7.506 1.731 1.00 0.46 H new ATOM 0 H1' DG A 12 -0.336 -8.450 -0.119 1.00 0.37 H new ATOM 0 H8 DG A 12 -1.422 -5.460 -2.248 1.00 0.38 H new ATOM 0 H1 DG A 12 4.818 -5.711 -0.720 1.00 0.44 H new ATOM 0 H21 DG A 12 3.893 -8.445 1.230 1.00 0.55 H new ATOM 0 H22 DG A 12 5.190 -7.389 0.659 1.00 0.55 H new ATOM 293 P DG A 13 -3.637 -7.840 3.225 1.00 0.67 P ATOM 294 OP1 DG A 13 -4.674 -8.631 3.935 1.00 0.85 O ATOM 295 OP2 DG A 13 -3.782 -6.366 3.120 1.00 0.77 O ATOM 296 O5' DG A 13 -2.227 -8.159 3.896 1.00 0.66 O ATOM 297 C5' DG A 13 -1.876 -7.609 5.165 1.00 0.61 C ATOM 298 C4' DG A 13 -0.417 -7.871 5.460 1.00 0.42 C ATOM 299 O4' DG A 13 0.384 -7.389 4.350 1.00 0.35 O ATOM 300 C3' DG A 13 0.124 -7.166 6.710 1.00 0.41 C ATOM 301 O3' DG A 13 1.019 -8.029 7.421 1.00 0.41 O ATOM 302 C2' DG A 13 0.871 -5.970 6.149 1.00 0.38 C ATOM 303 C1' DG A 13 1.382 -6.501 4.823 1.00 0.29 C ATOM 304 N9 DG A 13 1.601 -5.476 3.804 1.00 0.30 N ATOM 305 C8 DG A 13 0.665 -4.930 2.961 1.00 0.32 C ATOM 306 N7 DG A 13 1.158 -4.027 2.158 1.00 0.37 N ATOM 307 C5 DG A 13 2.505 -3.975 2.491 1.00 0.35 C ATOM 308 C6 DG A 13 3.550 -3.179 1.958 1.00 0.40 C ATOM 309 O6 DG A 13 3.485 -2.334 1.058 1.00 0.47 O ATOM 310 N1 DG A 13 4.770 -3.436 2.580 1.00 0.39 N ATOM 311 C2 DG A 13 4.949 -4.353 3.591 1.00 0.36 C ATOM 312 N2 DG A 13 6.197 -4.471 4.071 1.00 0.39 N ATOM 313 N3 DG A 13 3.981 -5.101 4.097 1.00 0.33 N ATOM 314 C4 DG A 13 2.795 -4.862 3.504 1.00 0.32 C ATOM 0 H5' DG A 13 -2.497 -8.049 5.945 1.00 0.61 H new ATOM 0 H5'' DG A 13 -2.069 -6.536 5.171 1.00 0.61 H new ATOM 0 H4' DG A 13 -0.349 -8.947 5.622 1.00 0.42 H new ATOM 0 H3' DG A 13 -0.659 -6.885 7.415 1.00 0.41 H new ATOM 0 H2' DG A 13 0.217 -5.108 6.017 1.00 0.38 H new ATOM 0 H2'' DG A 13 1.685 -5.656 6.802 1.00 0.38 H new ATOM 0 H1' DG A 13 2.354 -6.964 4.994 1.00 0.29 H new ATOM 0 H8 DG A 13 -0.376 -5.219 2.962 1.00 0.32 H new ATOM 0 H1 DG A 13 5.585 -2.910 2.265 1.00 0.39 H new ATOM 0 H21 DG A 13 6.394 -5.134 4.821 1.00 0.39 H new ATOM 0 H22 DG A 13 6.948 -3.898 3.686 1.00 0.39 H new ATOM 326 P DT A 14 0.456 -9.002 8.571 1.00 0.47 P ATOM 327 OP1 DT A 14 -0.670 -8.300 9.238 1.00 0.76 O ATOM 328 OP2 DT A 14 1.606 -9.478 9.382 1.00 0.78 O ATOM 329 O5' DT A 14 -0.139 -10.244 7.770 1.00 0.65 O ATOM 330 C5' DT A 14 -0.280 -11.521 8.391 1.00 1.38 C ATOM 331 C4' DT A 14 -0.600 -12.573 7.354 1.00 1.33 C ATOM 332 O4' DT A 14 -0.468 -13.885 7.952 1.00 1.42 O ATOM 333 C3' DT A 14 -2.021 -12.515 6.797 1.00 1.42 C ATOM 334 O3' DT A 14 -2.041 -12.962 5.437 1.00 1.38 O ATOM 335 C2' DT A 14 -2.783 -13.476 7.690 1.00 1.57 C ATOM 336 C1' DT A 14 -1.735 -14.525 8.032 1.00 1.41 C ATOM 337 N1 DT A 14 -1.868 -15.095 9.386 1.00 1.50 N ATOM 338 C2 DT A 14 -2.374 -16.370 9.511 1.00 1.51 C ATOM 339 O2 DT A 14 -2.717 -17.049 8.557 1.00 1.55 O ATOM 340 N3 DT A 14 -2.465 -16.826 10.802 1.00 1.62 N ATOM 341 C4 DT A 14 -2.109 -16.149 11.951 1.00 1.87 C ATOM 342 O4 DT A 14 -2.248 -16.689 13.046 1.00 2.06 O ATOM 343 C5 DT A 14 -1.586 -14.817 11.747 1.00 1.98 C ATOM 344 C7 DT A 14 -1.175 -14.008 12.939 1.00 2.44 C ATOM 345 C6 DT A 14 -1.491 -14.357 10.490 1.00 1.74 C ATOM 0 H5' DT A 14 -1.072 -11.484 9.139 1.00 1.38 H new ATOM 0 H5'' DT A 14 0.640 -11.783 8.914 1.00 1.38 H new ATOM 0 H4' DT A 14 0.097 -12.382 6.538 1.00 1.33 H new ATOM 0 H3' DT A 14 -2.444 -11.510 6.794 1.00 1.42 H new ATOM 0 H2' DT A 14 -3.166 -12.981 8.583 1.00 1.57 H new ATOM 0 H2'' DT A 14 -3.639 -13.913 7.176 1.00 1.57 H new ATOM 0 H1' DT A 14 -1.858 -15.352 7.333 1.00 1.41 H new ATOM 0 H3 DT A 14 -2.836 -17.768 10.926 1.00 1.62 H new ATOM 0 H71 DT A 14 -0.367 -13.332 12.659 1.00 2.44 H new ATOM 0 H72 DT A 14 -2.026 -13.428 13.296 1.00 2.44 H new ATOM 0 H73 DT A 14 -0.833 -14.675 13.731 1.00 2.44 H new ATOM 0 H6 DT A 14 -1.101 -13.362 10.335 1.00 1.74 H new ATOM 358 P DA A 15 -3.315 -12.646 4.508 1.00 1.36 P ATOM 359 OP1 DA A 15 -3.699 -11.231 4.744 1.00 1.46 O ATOM 360 OP2 DA A 15 -4.318 -13.722 4.710 1.00 1.58 O ATOM 361 O5' DA A 15 -2.747 -12.764 3.023 1.00 1.37 O ATOM 362 C5' DA A 15 -1.805 -11.817 2.519 1.00 1.03 C ATOM 363 C4' DA A 15 -0.800 -12.508 1.626 1.00 0.63 C ATOM 364 O4' DA A 15 -1.508 -13.248 0.599 1.00 0.62 O ATOM 365 C3' DA A 15 0.151 -11.569 0.882 1.00 0.84 C ATOM 366 O3' DA A 15 1.435 -12.182 0.725 1.00 0.82 O ATOM 367 C2' DA A 15 -0.523 -11.392 -0.465 1.00 1.00 C ATOM 368 C1' DA A 15 -1.173 -12.746 -0.687 1.00 0.71 C ATOM 369 N9 DA A 15 -2.399 -12.704 -1.488 1.00 0.81 N ATOM 370 C8 DA A 15 -3.665 -12.372 -1.072 1.00 1.22 C ATOM 371 N7 DA A 15 -4.564 -12.425 -2.024 1.00 1.24 N ATOM 372 C5 DA A 15 -3.844 -12.819 -3.143 1.00 0.82 C ATOM 373 C6 DA A 15 -4.222 -13.057 -4.476 1.00 0.73 C ATOM 374 N6 DA A 15 -5.472 -12.929 -4.926 1.00 0.91 N ATOM 375 N1 DA A 15 -3.258 -13.438 -5.343 1.00 0.73 N ATOM 376 C2 DA A 15 -2.004 -13.567 -4.892 1.00 0.82 C ATOM 377 N3 DA A 15 -1.526 -13.372 -3.665 1.00 0.68 N ATOM 378 C4 DA A 15 -2.508 -12.994 -2.828 1.00 0.63 C ATOM 0 H5' DA A 15 -1.292 -11.328 3.347 1.00 1.03 H new ATOM 0 H5'' DA A 15 -2.324 -11.038 1.961 1.00 1.03 H new ATOM 0 H4' DA A 15 -0.209 -13.131 2.297 1.00 0.63 H new ATOM 0 H3' DA A 15 0.323 -10.627 1.403 1.00 0.84 H new ATOM 0 H2' DA A 15 -1.258 -10.587 -0.449 1.00 1.00 H new ATOM 0 H2'' DA A 15 0.195 -11.153 -1.250 1.00 1.00 H new ATOM 0 H1' DA A 15 -0.468 -13.367 -1.239 1.00 0.71 H new ATOM 0 H8 DA A 15 -3.898 -12.093 -0.055 1.00 1.22 H new ATOM 0 H61 DA A 15 -5.683 -13.116 -5.906 1.00 0.91 H new ATOM 0 H62 DA A 15 -6.216 -12.644 -4.290 1.00 0.91 H new ATOM 0 H2 DA A 15 -1.276 -13.873 -5.629 1.00 0.82 H new ATOM 390 P DG A 16 2.577 -11.947 1.833 1.00 0.92 P ATOM 391 OP1 DG A 16 2.072 -12.500 3.115 1.00 0.98 O ATOM 392 OP2 DG A 16 3.009 -10.527 1.765 1.00 1.04 O ATOM 393 O5' DG A 16 3.784 -12.861 1.335 1.00 1.02 O ATOM 394 C5' DG A 16 4.444 -13.766 2.221 1.00 0.91 C ATOM 395 C4' DG A 16 5.928 -13.483 2.243 1.00 0.64 C ATOM 396 O4' DG A 16 6.341 -13.018 0.932 1.00 0.54 O ATOM 397 C3' DG A 16 6.361 -12.395 3.229 1.00 0.40 C ATOM 398 O3' DG A 16 7.634 -12.719 3.801 1.00 0.53 O ATOM 399 C2' DG A 16 6.464 -11.156 2.360 1.00 0.40 C ATOM 400 C1' DG A 16 6.923 -11.727 1.031 1.00 0.45 C ATOM 401 N9 DG A 16 6.509 -10.950 -0.136 1.00 0.46 N ATOM 402 C8 DG A 16 5.288 -10.986 -0.766 1.00 0.54 C ATOM 403 N7 DG A 16 5.210 -10.174 -1.784 1.00 0.57 N ATOM 404 C5 DG A 16 6.456 -9.563 -1.830 1.00 0.50 C ATOM 405 C6 DG A 16 6.965 -8.586 -2.722 1.00 0.52 C ATOM 406 O6 DG A 16 6.391 -8.047 -3.674 1.00 0.60 O ATOM 407 N1 DG A 16 8.279 -8.237 -2.418 1.00 0.48 N ATOM 408 C2 DG A 16 9.004 -8.771 -1.377 1.00 0.46 C ATOM 409 N2 DG A 16 10.255 -8.309 -1.226 1.00 0.52 N ATOM 410 N3 DG A 16 8.539 -9.683 -0.538 1.00 0.44 N ATOM 411 C4 DG A 16 7.268 -10.031 -0.821 1.00 0.44 C ATOM 0 H5' DG A 16 4.267 -14.793 1.902 1.00 0.91 H new ATOM 0 H5'' DG A 16 4.033 -13.668 3.226 1.00 0.91 H new ATOM 0 H4' DG A 16 6.390 -14.422 2.548 1.00 0.64 H new ATOM 0 H3' DG A 16 5.672 -12.272 4.065 1.00 0.40 H new ATOM 0 H2' DG A 16 5.507 -10.641 2.272 1.00 0.40 H new ATOM 0 H2'' DG A 16 7.178 -10.437 2.761 1.00 0.40 H new ATOM 0 H1' DG A 16 8.013 -11.725 1.023 1.00 0.45 H new ATOM 0 H8 DG A 16 4.475 -11.623 -0.450 1.00 0.54 H new ATOM 0 H1 DG A 16 8.734 -7.539 -3.006 1.00 0.48 H new ATOM 0 H21 DG A 16 10.843 -8.666 -0.473 1.00 0.52 H new ATOM 0 H22 DG A 16 10.618 -7.601 -1.865 1.00 0.52 H new ATOM 423 P DG A 17 8.186 -11.880 5.057 1.00 0.54 P ATOM 424 OP1 DG A 17 9.082 -12.777 5.831 1.00 0.94 O ATOM 425 OP2 DG A 17 7.032 -11.235 5.734 1.00 0.65 O ATOM 426 O5' DG A 17 9.080 -10.738 4.395 1.00 0.58 O ATOM 427 C5' DG A 17 10.273 -11.061 3.680 1.00 0.51 C ATOM 428 C4' DG A 17 11.137 -9.831 3.521 1.00 0.40 C ATOM 429 O4' DG A 17 10.672 -9.070 2.376 1.00 0.42 O ATOM 430 C3' DG A 17 11.108 -8.863 4.711 1.00 0.38 C ATOM 431 O3' DG A 17 12.417 -8.332 4.950 1.00 0.46 O ATOM 432 C2' DG A 17 10.161 -7.768 4.254 1.00 0.38 C ATOM 433 C1' DG A 17 10.415 -7.730 2.760 1.00 0.36 C ATOM 434 N9 DG A 17 9.293 -7.235 1.964 1.00 0.37 N ATOM 435 C8 DG A 17 8.010 -7.725 1.940 1.00 0.36 C ATOM 436 N7 DG A 17 7.223 -7.074 1.127 1.00 0.40 N ATOM 437 C5 DG A 17 8.038 -6.091 0.580 1.00 0.43 C ATOM 438 C6 DG A 17 7.743 -5.079 -0.369 1.00 0.49 C ATOM 439 O6 DG A 17 6.666 -4.846 -0.929 1.00 0.52 O ATOM 440 N1 DG A 17 8.857 -4.291 -0.653 1.00 0.54 N ATOM 441 C2 DG A 17 10.098 -4.468 -0.085 1.00 0.55 C ATOM 442 N2 DG A 17 11.057 -3.614 -0.474 1.00 0.64 N ATOM 443 N3 DG A 17 10.384 -5.408 0.801 1.00 0.50 N ATOM 444 C4 DG A 17 9.316 -6.177 1.085 1.00 0.43 C ATOM 0 H5' DG A 17 10.020 -11.465 2.700 1.00 0.51 H new ATOM 0 H5'' DG A 17 10.825 -11.836 4.211 1.00 0.51 H new ATOM 0 H4' DG A 17 12.153 -10.212 3.419 1.00 0.40 H new ATOM 0 H3' DG A 17 10.792 -9.335 5.642 1.00 0.38 H new ATOM 0 H2' DG A 17 9.122 -8.005 4.485 1.00 0.38 H new ATOM 0 H2'' DG A 17 10.383 -6.813 4.729 1.00 0.38 H new ATOM 0 H1' DG A 17 11.238 -7.040 2.574 1.00 0.36 H new ATOM 0 H8 DG A 17 7.685 -8.566 2.535 1.00 0.36 H new ATOM 0 H1 DG A 17 8.745 -3.533 -1.326 1.00 0.54 H new ATOM 0 H21 DG A 17 11.998 -3.694 -0.089 1.00 0.64 H new ATOM 0 H22 DG A 17 10.845 -2.885 -1.155 1.00 0.64 H new ATOM 456 P DG A 18 12.693 -7.435 6.257 1.00 0.51 P ATOM 457 OP1 DG A 18 13.937 -7.943 6.889 1.00 0.70 O ATOM 458 OP2 DG A 18 11.441 -7.368 7.053 1.00 0.52 O ATOM 459 O5' DG A 18 12.992 -5.984 5.670 1.00 0.52 O ATOM 460 C5' DG A 18 14.143 -5.741 4.862 1.00 0.62 C ATOM 461 C4' DG A 18 14.087 -4.349 4.276 1.00 0.42 C ATOM 462 O4' DG A 18 12.902 -4.224 3.471 1.00 0.46 O ATOM 463 C3' DG A 18 13.995 -3.218 5.303 1.00 0.39 C ATOM 464 O3' DG A 18 15.285 -2.622 5.503 1.00 0.52 O ATOM 465 C2' DG A 18 13.017 -2.211 4.689 1.00 0.46 C ATOM 466 C1' DG A 18 12.558 -2.858 3.386 1.00 0.38 C ATOM 467 N9 DG A 18 11.119 -2.771 3.142 1.00 0.30 N ATOM 468 C8 DG A 18 10.129 -3.505 3.748 1.00 0.30 C ATOM 469 N7 DG A 18 8.932 -3.210 3.321 1.00 0.32 N ATOM 470 C5 DG A 18 9.144 -2.219 2.372 1.00 0.29 C ATOM 471 C6 DG A 18 8.219 -1.508 1.567 1.00 0.33 C ATOM 472 O6 DG A 18 6.989 -1.624 1.533 1.00 0.39 O ATOM 473 N1 DG A 18 8.851 -0.586 0.736 1.00 0.38 N ATOM 474 C2 DG A 18 10.212 -0.383 0.694 1.00 0.43 C ATOM 475 N2 DG A 18 10.646 0.548 -0.169 1.00 0.55 N ATOM 476 N3 DG A 18 11.085 -1.040 1.440 1.00 0.41 N ATOM 477 C4 DG A 18 10.487 -1.936 2.250 1.00 0.30 C ATOM 0 H5' DG A 18 14.196 -6.478 4.061 1.00 0.62 H new ATOM 0 H5'' DG A 18 15.047 -5.855 5.461 1.00 0.62 H new ATOM 0 H4' DG A 18 15.022 -4.244 3.725 1.00 0.42 H new ATOM 0 H3' DG A 18 13.659 -3.567 6.279 1.00 0.39 H new ATOM 0 H2' DG A 18 12.175 -2.021 5.355 1.00 0.46 H new ATOM 0 H2'' DG A 18 13.501 -1.252 4.505 1.00 0.46 H new ATOM 0 H1' DG A 18 13.040 -2.326 2.566 1.00 0.38 H new ATOM 0 H8 DG A 18 10.322 -4.252 4.503 1.00 0.30 H new ATOM 0 H1 DG A 18 8.267 -0.024 0.117 1.00 0.38 H new ATOM 0 H21 DG A 18 11.644 0.745 -0.247 1.00 0.55 H new ATOM 0 H22 DG A 18 9.978 1.059 -0.747 1.00 0.55 H new ATOM 489 P DT A 19 15.918 -1.645 4.389 1.00 0.59 P ATOM 490 OP1 DT A 19 15.676 -0.249 4.833 1.00 1.17 O ATOM 491 OP2 DT A 19 15.442 -2.082 3.052 1.00 0.87 O ATOM 492 O5' DT A 19 17.484 -1.927 4.479 1.00 0.80 O ATOM 493 C5' DT A 19 18.358 -1.576 3.405 1.00 0.96 C ATOM 494 C4' DT A 19 19.349 -2.689 3.155 1.00 0.89 C ATOM 495 O4' DT A 19 20.108 -2.930 4.367 1.00 0.86 O ATOM 496 C3' DT A 19 18.725 -4.035 2.781 1.00 1.00 C ATOM 497 O3' DT A 19 19.570 -4.740 1.865 1.00 1.23 O ATOM 498 C2' DT A 19 18.652 -4.764 4.109 1.00 0.86 C ATOM 499 C1' DT A 19 19.889 -4.255 4.830 1.00 0.84 C ATOM 500 N1 DT A 19 19.762 -4.210 6.300 1.00 0.95 N ATOM 501 C2 DT A 19 20.120 -5.329 7.019 1.00 1.09 C ATOM 502 O2 DT A 19 20.535 -6.352 6.498 1.00 1.16 O ATOM 503 N3 DT A 19 19.974 -5.209 8.377 1.00 1.25 N ATOM 504 C4 DT A 19 19.516 -4.107 9.071 1.00 1.29 C ATOM 505 O4 DT A 19 19.438 -4.146 10.296 1.00 1.48 O ATOM 506 C5 DT A 19 19.157 -2.968 8.256 1.00 1.18 C ATOM 507 C7 DT A 19 18.649 -1.729 8.925 1.00 1.35 C ATOM 508 C6 DT A 19 19.295 -3.071 6.925 1.00 1.02 C ATOM 0 H5' DT A 19 18.888 -0.654 3.644 1.00 0.96 H new ATOM 0 H5'' DT A 19 17.778 -1.385 2.502 1.00 0.96 H new ATOM 0 H4' DT A 19 19.950 -2.345 2.313 1.00 0.89 H new ATOM 0 H3' DT A 19 17.756 -3.940 2.291 1.00 1.00 H new ATOM 0 H2' DT A 19 17.738 -4.526 4.653 1.00 0.86 H new ATOM 0 H2'' DT A 19 18.674 -5.846 3.980 1.00 0.86 H new ATOM 0 H1' DT A 19 20.706 -4.944 4.616 1.00 0.84 H new ATOM 0 H3 DT A 19 20.232 -6.023 8.935 1.00 1.25 H new ATOM 0 H71 DT A 19 18.921 -0.857 8.330 1.00 1.35 H new ATOM 0 H72 DT A 19 17.564 -1.783 9.015 1.00 1.35 H new ATOM 0 H73 DT A 19 19.092 -1.644 9.917 1.00 1.35 H new ATOM 0 H6 DT A 19 19.028 -2.222 6.313 1.00 1.02 H new ATOM 521 P DG A 20 18.938 -5.840 0.876 1.00 1.47 P ATOM 522 OP1 DG A 20 17.903 -6.582 1.640 1.00 1.96 O ATOM 523 OP2 DG A 20 20.052 -6.584 0.235 1.00 2.32 O ATOM 524 O5' DG A 20 18.204 -4.976 -0.243 1.00 0.89 O ATOM 525 C5' DG A 20 17.215 -5.560 -1.092 1.00 0.80 C ATOM 526 C4' DG A 20 16.931 -4.650 -2.264 1.00 0.65 C ATOM 527 O4' DG A 20 15.840 -5.208 -3.043 1.00 0.59 O ATOM 528 C3' DG A 20 16.494 -3.228 -1.886 1.00 0.64 C ATOM 529 O3' DG A 20 17.077 -2.273 -2.782 1.00 0.69 O ATOM 530 C2' DG A 20 14.988 -3.268 -2.056 1.00 0.55 C ATOM 531 C1' DG A 20 14.828 -4.232 -3.214 1.00 0.54 C ATOM 532 N9 DG A 20 13.535 -4.911 -3.265 1.00 0.53 N ATOM 533 C8 DG A 20 13.165 -6.049 -2.590 1.00 0.63 C ATOM 534 N7 DG A 20 11.940 -6.423 -2.842 1.00 0.63 N ATOM 535 C5 DG A 20 11.471 -5.472 -3.739 1.00 0.55 C ATOM 536 C6 DG A 20 10.208 -5.351 -4.371 1.00 0.56 C ATOM 537 O6 DG A 20 9.221 -6.085 -4.254 1.00 0.64 O ATOM 538 N1 DG A 20 10.149 -4.239 -5.210 1.00 0.50 N ATOM 539 C2 DG A 20 11.188 -3.359 -5.407 1.00 0.44 C ATOM 540 N2 DG A 20 10.951 -2.335 -6.241 1.00 0.47 N ATOM 541 N3 DG A 20 12.371 -3.463 -4.823 1.00 0.43 N ATOM 542 C4 DG A 20 12.442 -4.534 -4.009 1.00 0.48 C ATOM 0 H5' DG A 20 16.299 -5.736 -0.528 1.00 0.80 H new ATOM 0 H5'' DG A 20 17.560 -6.530 -1.450 1.00 0.80 H new ATOM 0 H4' DG A 20 17.875 -4.583 -2.805 1.00 0.65 H new ATOM 0 H3' DG A 20 16.802 -2.935 -0.882 1.00 0.64 H new ATOM 0 H2' DG A 20 14.485 -3.623 -1.157 1.00 0.55 H new ATOM 0 H2'' DG A 20 14.577 -2.285 -2.284 1.00 0.55 H new ATOM 0 H1' DG A 20 14.899 -3.666 -4.143 1.00 0.54 H new ATOM 0 H8 DG A 20 13.822 -6.581 -1.918 1.00 0.63 H new ATOM 0 H1 DG A 20 9.277 -4.066 -5.711 1.00 0.50 H new ATOM 0 H21 DG A 20 11.683 -1.649 -6.427 1.00 0.47 H new ATOM 0 H22 DG A 20 10.039 -2.243 -6.689 1.00 0.47 H new ATOM 554 P DG A 21 16.864 -0.698 -2.526 1.00 0.79 P ATOM 555 OP1 DG A 21 18.080 0.000 -3.015 1.00 0.96 O ATOM 556 OP2 DG A 21 16.427 -0.508 -1.119 1.00 1.03 O ATOM 557 O5' DG A 21 15.649 -0.309 -3.484 1.00 0.70 O ATOM 558 C5' DG A 21 15.806 -0.295 -4.904 1.00 0.55 C ATOM 559 C4' DG A 21 14.827 0.671 -5.533 1.00 0.48 C ATOM 560 O4' DG A 21 13.500 0.083 -5.514 1.00 0.49 O ATOM 561 C3' DG A 21 14.699 2.020 -4.819 1.00 0.51 C ATOM 562 O3' DG A 21 14.524 3.072 -5.775 1.00 0.65 O ATOM 563 C2' DG A 21 13.451 1.853 -3.971 1.00 0.53 C ATOM 564 C1' DG A 21 12.597 0.936 -4.828 1.00 0.49 C ATOM 565 N9 DG A 21 11.667 0.096 -4.075 1.00 0.47 N ATOM 566 C8 DG A 21 11.968 -0.737 -3.027 1.00 0.54 C ATOM 567 N7 DG A 21 10.931 -1.374 -2.559 1.00 0.53 N ATOM 568 C5 DG A 21 9.877 -0.934 -3.346 1.00 0.45 C ATOM 569 C6 DG A 21 8.502 -1.277 -3.308 1.00 0.43 C ATOM 570 O6 DG A 21 7.932 -2.069 -2.549 1.00 0.47 O ATOM 571 N1 DG A 21 7.771 -0.601 -4.284 1.00 0.44 N ATOM 572 C2 DG A 21 8.313 0.294 -5.179 1.00 0.49 C ATOM 573 N2 DG A 21 7.458 0.856 -6.047 1.00 0.58 N ATOM 574 N3 DG A 21 9.594 0.620 -5.224 1.00 0.47 N ATOM 575 C4 DG A 21 10.313 -0.026 -4.286 1.00 0.44 C ATOM 0 H5' DG A 21 15.646 -1.296 -5.304 1.00 0.55 H new ATOM 0 H5'' DG A 21 16.826 -0.008 -5.161 1.00 0.55 H new ATOM 0 H4' DG A 21 15.219 0.853 -6.534 1.00 0.48 H new ATOM 0 H3' DG A 21 15.579 2.282 -4.231 1.00 0.51 H new ATOM 0 H2' DG A 21 13.675 1.410 -3.001 1.00 0.53 H new ATOM 0 H2'' DG A 21 12.958 2.806 -3.780 1.00 0.53 H new ATOM 0 H1' DG A 21 11.983 1.559 -5.478 1.00 0.49 H new ATOM 0 H8 DG A 21 12.965 -0.854 -2.629 1.00 0.54 H new ATOM 0 H1 DG A 21 6.769 -0.781 -4.339 1.00 0.44 H new ATOM 0 H21 DG A 21 7.798 1.527 -6.735 1.00 0.58 H new ATOM 0 H22 DG A 21 6.468 0.612 -6.018 1.00 0.58 H new ATOM 587 P DG A 22 14.513 4.607 -5.292 1.00 0.75 P ATOM 588 OP1 DG A 22 15.485 5.345 -6.138 1.00 1.13 O ATOM 589 OP2 DG A 22 14.658 4.635 -3.814 1.00 1.17 O ATOM 590 O5' DG A 22 13.048 5.114 -5.664 1.00 0.79 O ATOM 591 C5' DG A 22 12.287 5.907 -4.753 1.00 0.50 C ATOM 592 C4' DG A 22 10.848 5.983 -5.207 1.00 0.31 C ATOM 593 O4' DG A 22 10.291 4.652 -5.245 1.00 0.41 O ATOM 594 C3' DG A 22 9.923 6.770 -4.289 1.00 0.24 C ATOM 595 O3' DG A 22 9.910 8.152 -4.661 1.00 0.42 O ATOM 596 C2' DG A 22 8.566 6.133 -4.543 1.00 0.39 C ATOM 597 C1' DG A 22 8.906 4.693 -4.924 1.00 0.39 C ATOM 598 N9 DG A 22 8.663 3.716 -3.863 1.00 0.36 N ATOM 599 C8 DG A 22 9.597 3.135 -3.040 1.00 0.37 C ATOM 600 N7 DG A 22 9.081 2.295 -2.186 1.00 0.39 N ATOM 601 C5 DG A 22 7.720 2.320 -2.462 1.00 0.39 C ATOM 602 C6 DG A 22 6.651 1.612 -1.859 1.00 0.45 C ATOM 603 O6 DG A 22 6.701 0.798 -0.930 1.00 0.45 O ATOM 604 N1 DG A 22 5.424 1.928 -2.439 1.00 0.57 N ATOM 605 C2 DG A 22 5.261 2.820 -3.474 1.00 0.64 C ATOM 606 N2 DG A 22 4.003 2.999 -3.910 1.00 0.82 N ATOM 607 N3 DG A 22 6.252 3.488 -4.045 1.00 0.56 N ATOM 608 C4 DG A 22 7.445 3.191 -3.493 1.00 0.42 C ATOM 0 H5' DG A 22 12.710 6.910 -4.690 1.00 0.50 H new ATOM 0 H5'' DG A 22 12.339 5.476 -3.753 1.00 0.50 H new ATOM 0 H4' DG A 22 10.893 6.485 -6.174 1.00 0.31 H new ATOM 0 H3' DG A 22 10.222 6.740 -3.241 1.00 0.24 H new ATOM 0 H2' DG A 22 7.933 6.174 -3.657 1.00 0.39 H new ATOM 0 H2'' DG A 22 8.028 6.642 -5.343 1.00 0.39 H new ATOM 0 H1' DG A 22 8.256 4.420 -5.756 1.00 0.39 H new ATOM 0 H8 DG A 22 10.654 3.352 -3.095 1.00 0.37 H new ATOM 0 H1 DG A 22 4.591 1.467 -2.072 1.00 0.57 H new ATOM 0 H21 DG A 22 3.816 3.647 -4.675 1.00 0.82 H new ATOM 0 H22 DG A 22 3.235 2.487 -3.476 1.00 0.82 H new ATOM 620 P DT A 23 9.510 9.269 -3.576 1.00 0.85 P ATOM 621 OP1 DT A 23 9.513 10.583 -4.268 1.00 1.40 O ATOM 622 OP2 DT A 23 10.355 9.073 -2.370 1.00 1.37 O ATOM 623 O5' DT A 23 8.004 8.914 -3.195 1.00 0.54 O ATOM 624 C5' DT A 23 7.297 9.669 -2.211 1.00 0.54 C ATOM 625 C4' DT A 23 5.810 9.441 -2.350 1.00 0.48 C ATOM 626 O4' DT A 23 5.544 8.015 -2.295 1.00 0.50 O ATOM 627 C3' DT A 23 4.955 10.073 -1.246 1.00 0.46 C ATOM 628 O3' DT A 23 3.739 10.593 -1.798 1.00 0.54 O ATOM 629 C2' DT A 23 4.667 8.910 -0.314 1.00 0.42 C ATOM 630 C1' DT A 23 4.601 7.737 -1.273 1.00 0.43 C ATOM 631 N1 DT A 23 4.946 6.434 -0.670 1.00 0.47 N ATOM 632 C2 DT A 23 3.924 5.549 -0.406 1.00 0.56 C ATOM 633 O2 DT A 23 2.753 5.791 -0.648 1.00 0.64 O ATOM 634 N3 DT A 23 4.325 4.364 0.156 1.00 0.63 N ATOM 635 C4 DT A 23 5.612 3.984 0.472 1.00 0.63 C ATOM 636 O4 DT A 23 5.815 2.882 0.974 1.00 0.74 O ATOM 637 C5 DT A 23 6.636 4.959 0.168 1.00 0.57 C ATOM 638 C7 DT A 23 8.063 4.632 0.481 1.00 0.67 C ATOM 639 C6 DT A 23 6.261 6.124 -0.382 1.00 0.50 C ATOM 0 H5' DT A 23 7.522 10.729 -2.324 1.00 0.54 H new ATOM 0 H5'' DT A 23 7.626 9.378 -1.213 1.00 0.54 H new ATOM 0 H4' DT A 23 5.539 9.908 -3.297 1.00 0.48 H new ATOM 0 H3' DT A 23 5.446 10.907 -0.744 1.00 0.46 H new ATOM 0 H2' DT A 23 5.452 8.782 0.432 1.00 0.42 H new ATOM 0 H2'' DT A 23 3.731 9.045 0.228 1.00 0.42 H new ATOM 0 H1' DT A 23 3.573 7.642 -1.622 1.00 0.43 H new ATOM 0 H3 DT A 23 3.589 3.689 0.363 1.00 0.63 H new ATOM 0 H71 DT A 23 8.717 5.141 -0.227 1.00 0.67 H new ATOM 0 H72 DT A 23 8.298 4.961 1.493 1.00 0.67 H new ATOM 0 H73 DT A 23 8.215 3.555 0.406 1.00 0.67 H new ATOM 0 H6 DT A 23 7.023 6.854 -0.610 1.00 0.50 H new ATOM 652 P DA A 24 2.646 11.274 -0.834 1.00 0.60 P ATOM 653 OP1 DA A 24 1.961 12.333 -1.618 1.00 0.83 O ATOM 654 OP2 DA A 24 3.307 11.624 0.450 1.00 0.61 O ATOM 655 O5' DA A 24 1.597 10.106 -0.558 1.00 0.64 O ATOM 656 C5' DA A 24 0.827 10.073 0.645 1.00 0.62 C ATOM 657 C4' DA A 24 0.509 8.643 1.017 1.00 0.61 C ATOM 658 O4' DA A 24 1.742 7.957 1.354 1.00 0.58 O ATOM 659 C3' DA A 24 -0.405 8.482 2.235 1.00 0.64 C ATOM 660 O3' DA A 24 -1.275 7.357 2.061 1.00 0.76 O ATOM 661 C2' DA A 24 0.568 8.229 3.370 1.00 0.60 C ATOM 662 C1' DA A 24 1.672 7.450 2.677 1.00 0.57 C ATOM 663 N9 DA A 24 2.994 7.592 3.290 1.00 0.53 N ATOM 664 C8 DA A 24 3.922 8.582 3.072 1.00 0.53 C ATOM 665 N7 DA A 24 5.022 8.437 3.771 1.00 0.57 N ATOM 666 C5 DA A 24 4.805 7.275 4.498 1.00 0.59 C ATOM 667 C6 DA A 24 5.596 6.579 5.429 1.00 0.68 C ATOM 668 N6 DA A 24 6.817 6.971 5.804 1.00 0.77 N ATOM 669 N1 DA A 24 5.084 5.453 5.971 1.00 0.74 N ATOM 670 C2 DA A 24 3.860 5.059 5.595 1.00 0.72 C ATOM 671 N3 DA A 24 3.022 5.627 4.731 1.00 0.65 N ATOM 672 C4 DA A 24 3.560 6.744 4.211 1.00 0.57 C ATOM 0 H5' DA A 24 -0.096 10.636 0.511 1.00 0.62 H new ATOM 0 H5'' DA A 24 1.379 10.553 1.453 1.00 0.62 H new ATOM 0 H4' DA A 24 -0.006 8.234 0.148 1.00 0.61 H new ATOM 0 H3' DA A 24 -1.048 9.345 2.406 1.00 0.64 H new ATOM 0 H2' DA A 24 0.936 9.158 3.805 1.00 0.60 H new ATOM 0 H2'' DA A 24 0.112 7.657 4.178 1.00 0.60 H new ATOM 0 H1' DA A 24 1.425 6.390 2.740 1.00 0.57 H new ATOM 0 H8 DA A 24 3.760 9.403 2.389 1.00 0.53 H new ATOM 0 H61 DA A 24 7.342 6.422 6.485 1.00 0.77 H new ATOM 0 H62 DA A 24 7.224 7.819 5.409 1.00 0.77 H new ATOM 0 H2 DA A 24 3.503 4.152 6.059 1.00 0.72 H new ATOM 684 P DA A 25 -2.692 7.542 1.323 1.00 0.57 P ATOM 685 OP1 DA A 25 -2.445 8.286 0.062 1.00 1.02 O ATOM 686 OP2 DA A 25 -3.665 8.076 2.311 1.00 0.79 O ATOM 687 O5' DA A 25 -3.127 6.056 0.946 1.00 0.60 O ATOM 688 C5' DA A 25 -2.184 5.130 0.401 1.00 0.62 C ATOM 689 C4' DA A 25 -2.427 3.748 0.964 1.00 0.60 C ATOM 690 O4' DA A 25 -1.498 2.814 0.374 1.00 0.58 O ATOM 691 C3' DA A 25 -2.201 3.614 2.462 1.00 0.76 C ATOM 692 O3' DA A 25 -3.377 3.982 3.189 1.00 0.94 O ATOM 693 C2' DA A 25 -1.902 2.134 2.618 1.00 0.74 C ATOM 694 C1' DA A 25 -1.200 1.779 1.307 1.00 0.64 C ATOM 695 N9 DA A 25 0.258 1.673 1.414 1.00 0.55 N ATOM 696 C8 DA A 25 1.207 2.408 0.747 1.00 0.53 C ATOM 697 N7 DA A 25 2.439 2.083 1.053 1.00 0.52 N ATOM 698 C5 DA A 25 2.294 1.064 1.984 1.00 0.51 C ATOM 699 C6 DA A 25 3.230 0.293 2.697 1.00 0.54 C ATOM 700 N6 DA A 25 4.554 0.437 2.584 1.00 0.60 N ATOM 701 N1 DA A 25 2.754 -0.642 3.548 1.00 0.57 N ATOM 702 C2 DA A 25 1.428 -0.784 3.669 1.00 0.60 C ATOM 703 N3 DA A 25 0.451 -0.120 3.055 1.00 0.59 N ATOM 704 C4 DA A 25 0.956 0.801 2.216 1.00 0.54 C ATOM 0 H5' DA A 25 -1.169 5.453 0.634 1.00 0.62 H new ATOM 0 H5'' DA A 25 -2.270 5.109 -0.685 1.00 0.62 H new ATOM 0 H4' DA A 25 -3.475 3.551 0.740 1.00 0.60 H new ATOM 0 H3' DA A 25 -1.409 4.258 2.845 1.00 0.76 H new ATOM 0 H2' DA A 25 -1.265 1.941 3.481 1.00 0.74 H new ATOM 0 H2'' DA A 25 -2.813 1.552 2.757 1.00 0.74 H new ATOM 0 HO3' DA A 25 -3.793 4.761 2.765 1.00 0.94 H new ATOM 0 H1' DA A 25 -1.562 0.797 1.002 1.00 0.64 H new ATOM 0 H8 DA A 25 0.961 3.183 0.036 1.00 0.53 H new ATOM 0 H61 DA A 25 5.180 -0.155 3.130 1.00 0.60 H new ATOM 0 H62 DA A 25 4.938 1.139 1.952 1.00 0.60 H new ATOM 0 H2 DA A 25 1.105 -1.546 4.363 1.00 0.60 H new TER 717 DA A 25 HETATM 718 C17 BO6 A 101 13.786 -7.189 -6.066 1.00 0.50 C HETATM 719 C18 BO6 A 101 14.619 -6.225 -6.627 1.00 0.54 C HETATM 720 N19 BO6 A 101 14.141 -5.395 -7.641 1.00 0.52 N HETATM 721 C31 BO6 A 101 15.026 -4.370 -8.240 1.00 0.61 C HETATM 722 C20 BO6 A 101 12.828 -5.534 -8.090 1.00 0.48 C HETATM 723 C21 BO6 A 101 11.998 -6.499 -7.527 1.00 0.48 C HETATM 724 C16 BO6 A 101 12.465 -7.335 -6.512 1.00 0.46 C HETATM 725 C15 BO6 A 101 11.662 -8.306 -5.926 1.00 0.50 C HETATM 726 C14 BO6 A 101 12.185 -9.665 -5.446 1.00 0.48 C HETATM 727 C7 BO6 A 101 11.463 -10.513 -4.610 1.00 0.41 C HETATM 728 C6 BO6 A 101 10.134 -10.783 -4.911 1.00 0.39 C HETATM 729 C8 BO6 A 101 12.016 -11.097 -3.493 1.00 0.41 C HETATM 730 C9 BO6 A 101 11.241 -11.932 -2.707 1.00 0.42 C HETATM 731 C2 BO6 A 101 9.963 -12.167 -3.032 1.00 0.41 C HETATM 732 N1 BO6 A 101 9.032 -12.916 -2.447 1.00 0.46 N HETATM 733 C3 BO6 A 101 9.413 -11.598 -4.124 1.00 0.38 C HETATM 734 C4 BO6 A 101 8.147 -12.002 -4.201 1.00 0.40 C HETATM 735 C10 BO6 A 101 7.178 -11.727 -5.090 1.00 0.43 C HETATM 736 C5 BO6 A 101 7.911 -12.823 -3.157 1.00 0.46 C HETATM 737 C13 BO6 A 101 6.706 -13.381 -2.984 1.00 0.53 C HETATM 738 C12 BO6 A 101 5.684 -13.121 -3.880 1.00 0.54 C HETATM 739 C11 BO6 A 101 5.915 -12.286 -4.946 1.00 0.49 C HETATM 740 C22 BO6 A 101 4.925 -11.989 -5.876 1.00 0.54 C HETATM 741 C23 BO6 A 101 4.645 -10.571 -6.388 1.00 0.55 C HETATM 742 C24 BO6 A 101 3.498 -10.218 -7.092 1.00 0.58 C HETATM 743 C25 BO6 A 101 2.274 -10.795 -6.725 1.00 0.60 C HETATM 744 C26 BO6 A 101 1.105 -10.466 -7.405 1.00 0.64 C HETATM 745 N27 BO6 A 101 1.144 -9.556 -8.460 1.00 0.66 N HETATM 746 C30 BO6 A 101 -0.100 -9.205 -9.185 1.00 0.73 C HETATM 747 C28 BO6 A 101 2.356 -8.977 -8.832 1.00 0.65 C HETATM 748 C29 BO6 A 101 3.524 -9.307 -8.152 1.00 0.61 C