USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 276 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=-0.00214 USER MOD Single : A 5 DT C7 :methyl -30:sc= 0 (180deg=-0.00302) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.154) USER MOD Single : A 12 DC O3' : rot -41:sc= 0.255 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 5 DT C7 :methyl -30:sc= 0 (180deg=-0.00307) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl -30:sc= 0 (180deg=-0.145) USER MOD Single : B 12 DC O3' : rot -40:sc= 0.238 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.555 5.925 8.767 1.00 0.82 O ATOM 2 C5' DG A 1 0.185 6.206 9.108 1.00 0.76 C ATOM 3 C4' DG A 1 -0.804 5.527 8.161 1.00 0.63 C ATOM 4 O4' DG A 1 -0.614 5.959 6.810 1.00 0.59 O ATOM 5 C3' DG A 1 -0.709 4.044 8.044 1.00 0.54 C ATOM 6 O3' DG A 1 -1.212 3.173 9.089 1.00 0.60 O ATOM 7 C2' DG A 1 -1.359 3.780 6.670 1.00 0.47 C ATOM 8 C1' DG A 1 -1.537 5.171 6.040 1.00 0.53 C ATOM 9 N9 DG A 1 -1.042 5.154 4.651 1.00 0.48 N ATOM 10 C8 DG A 1 0.240 5.189 4.176 1.00 0.48 C ATOM 11 N7 DG A 1 0.345 5.121 2.868 1.00 0.45 N ATOM 12 C5 DG A 1 -0.988 5.039 2.476 1.00 0.42 C ATOM 13 C6 DG A 1 -1.553 4.939 1.199 1.00 0.44 C ATOM 14 O6 DG A 1 -0.981 4.909 0.135 1.00 0.49 O ATOM 15 N1 DG A 1 -2.921 4.875 1.227 1.00 0.46 N ATOM 16 C2 DG A 1 -3.670 4.906 2.372 1.00 0.50 C ATOM 17 N2 DG A 1 -4.974 4.838 2.288 1.00 0.58 N ATOM 18 N3 DG A 1 -3.158 4.999 3.572 1.00 0.50 N ATOM 19 C4 DG A 1 -1.820 5.059 3.556 1.00 0.45 C ATOM 0 H5' DG A 1 0.022 7.284 9.087 1.00 0.76 H new ATOM 0 H5'' DG A 1 -0.008 5.874 10.128 1.00 0.76 H new ATOM 0 H4' DG A 1 -1.754 5.807 8.615 1.00 0.63 H new ATOM 0 H3' DG A 1 0.338 3.763 8.159 1.00 0.54 H new ATOM 0 H2' DG A 1 -0.727 3.144 6.050 1.00 0.47 H new ATOM 0 H2'' DG A 1 -2.316 3.270 6.778 1.00 0.47 H new ATOM 0 HO5' DG A 1 2.149 6.381 9.398 1.00 0.82 H new ATOM 0 H1' DG A 1 -2.570 5.519 6.037 1.00 0.53 H new ATOM 0 H8 DG A 1 1.099 5.267 4.826 1.00 0.48 H new ATOM 0 H1 DG A 1 -3.413 4.799 0.337 1.00 0.46 H new ATOM 0 H21 DG A 1 -5.541 4.860 3.135 1.00 0.58 H new ATOM 0 H22 DG A 1 -5.423 4.763 1.375 1.00 0.58 H new ATOM 32 P DG A 2 -2.690 3.351 9.744 1.00 0.54 P ATOM 33 OP1 DG A 2 -2.663 4.452 10.735 1.00 0.65 O ATOM 34 OP2 DG A 2 -3.207 2.022 10.133 1.00 0.67 O ATOM 35 O5' DG A 2 -3.478 3.876 8.433 1.00 0.71 O ATOM 36 C5' DG A 2 -4.869 3.761 8.140 1.00 0.74 C ATOM 37 C4' DG A 2 -5.173 2.686 7.108 1.00 0.70 C ATOM 38 O4' DG A 2 -4.582 2.947 5.829 1.00 0.66 O ATOM 39 C3' DG A 2 -4.619 1.278 7.406 1.00 0.64 C ATOM 40 O3' DG A 2 -5.284 0.294 8.210 1.00 0.74 O ATOM 41 C2' DG A 2 -4.344 0.704 6.030 1.00 0.62 C ATOM 42 C1' DG A 2 -4.949 1.755 5.116 1.00 0.64 C ATOM 43 N9 DG A 2 -4.405 1.741 3.750 1.00 0.56 N ATOM 44 C8 DG A 2 -5.058 1.717 2.549 1.00 0.54 C ATOM 45 N7 DG A 2 -4.253 1.721 1.517 1.00 0.46 N ATOM 46 C5 DG A 2 -2.982 1.744 2.084 1.00 0.42 C ATOM 47 C6 DG A 2 -1.690 1.758 1.483 1.00 0.41 C ATOM 48 O6 DG A 2 -1.424 1.760 0.289 1.00 0.45 O ATOM 49 N1 DG A 2 -0.684 1.783 2.435 1.00 0.41 N ATOM 50 C2 DG A 2 -0.915 1.794 3.790 1.00 0.43 C ATOM 51 N2 DG A 2 0.108 1.806 4.591 1.00 0.48 N ATOM 52 N3 DG A 2 -2.101 1.783 4.345 1.00 0.47 N ATOM 53 C4 DG A 2 -3.085 1.758 3.442 1.00 0.47 C ATOM 0 H5' DG A 2 -5.238 4.720 7.777 1.00 0.74 H new ATOM 0 H5'' DG A 2 -5.411 3.538 9.059 1.00 0.74 H new ATOM 0 H4' DG A 2 -6.262 2.713 7.131 1.00 0.70 H new ATOM 0 H3' DG A 2 -3.799 1.472 8.097 1.00 0.64 H new ATOM 0 H2' DG A 2 -3.277 0.573 5.849 1.00 0.62 H new ATOM 0 H2'' DG A 2 -4.812 -0.271 5.895 1.00 0.62 H new ATOM 0 H1' DG A 2 -6.016 1.621 4.940 1.00 0.64 H new ATOM 0 H8 DG A 2 -6.134 1.697 2.460 1.00 0.54 H new ATOM 0 H1 DG A 2 0.283 1.794 2.112 1.00 0.41 H new ATOM 0 H21 DG A 2 -0.035 1.814 5.601 1.00 0.48 H new ATOM 0 H22 DG A 2 1.054 1.807 4.210 1.00 0.48 H new ATOM 65 P DG A 3 -6.769 -0.274 7.917 1.00 0.76 P ATOM 66 OP1 DG A 3 -7.753 0.803 8.179 1.00 0.83 O ATOM 67 OP2 DG A 3 -6.890 -1.556 8.647 1.00 0.87 O ATOM 68 O5' DG A 3 -6.840 -0.628 6.327 1.00 0.78 O ATOM 69 C5' DG A 3 -7.970 -0.232 5.508 1.00 0.76 C ATOM 70 C4' DG A 3 -8.076 -0.863 4.105 1.00 0.67 C ATOM 71 O4' DG A 3 -6.940 -0.584 3.259 1.00 0.63 O ATOM 72 C3' DG A 3 -8.385 -2.340 3.890 1.00 0.66 C ATOM 73 O3' DG A 3 -9.397 -2.513 2.883 1.00 0.79 O ATOM 74 C2' DG A 3 -7.042 -2.844 3.425 1.00 0.60 C ATOM 75 C1' DG A 3 -6.695 -1.727 2.427 1.00 0.61 C ATOM 76 N9 DG A 3 -5.269 -1.761 2.055 1.00 0.57 N ATOM 77 C8 DG A 3 -4.202 -1.807 2.914 1.00 0.59 C ATOM 78 N7 DG A 3 -3.073 -1.852 2.312 1.00 0.56 N ATOM 79 C5 DG A 3 -3.358 -1.836 0.984 1.00 0.49 C ATOM 80 C6 DG A 3 -2.458 -1.871 -0.084 1.00 0.46 C ATOM 81 O6 DG A 3 -1.235 -1.918 -0.011 1.00 0.52 O ATOM 82 N1 DG A 3 -3.114 -1.837 -1.282 1.00 0.43 N ATOM 83 C2 DG A 3 -4.477 -1.776 -1.421 1.00 0.43 C ATOM 84 N2 DG A 3 -4.937 -1.745 -2.653 1.00 0.46 N ATOM 85 N3 DG A 3 -5.338 -1.742 -0.404 1.00 0.48 N ATOM 86 C4 DG A 3 -4.706 -1.777 0.786 1.00 0.50 C ATOM 0 H5' DG A 3 -7.939 0.851 5.390 1.00 0.76 H new ATOM 0 H5'' DG A 3 -8.883 -0.468 6.055 1.00 0.76 H new ATOM 0 H4' DG A 3 -8.999 -0.345 3.847 1.00 0.67 H new ATOM 0 H3' DG A 3 -8.778 -2.859 4.765 1.00 0.66 H new ATOM 0 H2' DG A 3 -6.318 -2.923 4.236 1.00 0.60 H new ATOM 0 H2'' DG A 3 -7.101 -3.825 2.954 1.00 0.60 H new ATOM 0 H1' DG A 3 -7.245 -1.772 1.487 1.00 0.61 H new ATOM 0 H8 DG A 3 -4.303 -1.805 3.989 1.00 0.59 H new ATOM 0 H1 DG A 3 -2.551 -1.858 -2.132 1.00 0.43 H new ATOM 0 H21 DG A 3 -5.942 -1.699 -2.821 1.00 0.46 H new ATOM 0 H22 DG A 3 -4.289 -1.766 -3.440 1.00 0.46 H new ATOM 98 P DC A 4 -10.162 -3.891 2.539 1.00 0.73 P ATOM 99 OP1 DC A 4 -11.581 -3.584 2.268 1.00 1.03 O ATOM 100 OP2 DC A 4 -9.783 -4.901 3.557 1.00 1.30 O ATOM 101 O5' DC A 4 -9.403 -4.205 1.163 1.00 0.95 O ATOM 102 C5' DC A 4 -9.719 -3.695 -0.150 1.00 0.59 C ATOM 103 C4' DC A 4 -8.837 -4.404 -1.170 1.00 0.51 C ATOM 104 O4' DC A 4 -7.523 -3.843 -1.277 1.00 0.59 O ATOM 105 C3' DC A 4 -8.437 -5.824 -0.761 1.00 0.47 C ATOM 106 O3' DC A 4 -9.390 -6.892 -0.613 1.00 0.57 O ATOM 107 C2' DC A 4 -7.426 -6.127 -1.860 1.00 0.58 C ATOM 108 C1' DC A 4 -6.694 -4.794 -1.985 1.00 0.60 C ATOM 109 N1 DC A 4 -5.324 -4.880 -1.444 1.00 0.51 N ATOM 110 C2 DC A 4 -4.276 -4.874 -2.353 1.00 0.45 C ATOM 111 O2 DC A 4 -4.458 -4.841 -3.567 1.00 0.53 O ATOM 112 N3 DC A 4 -3.021 -4.930 -1.874 1.00 0.41 N ATOM 113 C4 DC A 4 -2.796 -4.994 -0.568 1.00 0.42 C ATOM 114 N4 DC A 4 -1.510 -5.031 -0.271 1.00 0.40 N ATOM 115 C5 DC A 4 -3.858 -5.009 0.397 1.00 0.50 C ATOM 116 C6 DC A 4 -5.112 -4.950 -0.100 1.00 0.55 C ATOM 0 H5' DC A 4 -9.552 -2.619 -0.188 1.00 0.59 H new ATOM 0 H5'' DC A 4 -10.772 -3.863 -0.378 1.00 0.59 H new ATOM 0 H4' DC A 4 -9.458 -4.331 -2.063 1.00 0.51 H new ATOM 0 H3' DC A 4 -8.130 -5.808 0.285 1.00 0.47 H new ATOM 0 H2' DC A 4 -6.753 -6.939 -1.584 1.00 0.58 H new ATOM 0 H2'' DC A 4 -7.910 -6.417 -2.793 1.00 0.58 H new ATOM 0 H1' DC A 4 -6.557 -4.490 -3.023 1.00 0.60 H new ATOM 0 H41 DC A 4 -1.213 -5.081 0.703 1.00 0.40 H new ATOM 0 H42 DC A 4 -0.814 -5.010 -1.016 1.00 0.40 H new ATOM 0 H5 DC A 4 -3.666 -5.064 1.458 1.00 0.50 H new ATOM 0 H6 DC A 4 -5.955 -4.958 0.575 1.00 0.55 H new ATOM 128 P DT A 5 -10.535 -7.292 -1.686 1.00 0.74 P ATOM 129 OP1 DT A 5 -10.965 -6.057 -2.376 1.00 0.76 O ATOM 130 OP2 DT A 5 -11.548 -8.108 -0.978 1.00 0.94 O ATOM 131 O5' DT A 5 -9.779 -8.262 -2.755 1.00 0.91 O ATOM 132 C5' DT A 5 -9.575 -7.959 -4.158 1.00 1.01 C ATOM 133 C4' DT A 5 -8.319 -8.639 -4.757 1.00 1.03 C ATOM 134 O4' DT A 5 -7.279 -8.236 -3.889 1.00 0.94 O ATOM 135 C3' DT A 5 -8.194 -10.166 -4.961 1.00 1.07 C ATOM 136 O3' DT A 5 -7.279 -10.800 -5.899 1.00 1.05 O ATOM 137 C2' DT A 5 -7.655 -10.534 -3.611 1.00 0.98 C ATOM 138 C1' DT A 5 -6.622 -9.408 -3.478 1.00 0.85 C ATOM 139 N1 DT A 5 -6.087 -9.101 -2.139 1.00 0.80 N ATOM 140 C2 DT A 5 -4.755 -8.749 -2.006 1.00 0.89 C ATOM 141 O2 DT A 5 -3.992 -8.669 -2.960 1.00 1.01 O ATOM 142 N3 DT A 5 -4.324 -8.471 -0.725 1.00 0.91 N ATOM 143 C4 DT A 5 -5.109 -8.514 0.412 1.00 0.88 C ATOM 144 O4 DT A 5 -4.635 -8.238 1.509 1.00 0.99 O ATOM 145 C5 DT A 5 -6.483 -8.892 0.166 1.00 0.80 C ATOM 146 C7 DT A 5 -7.517 -9.001 1.283 1.00 0.85 C ATOM 147 C6 DT A 5 -6.908 -9.161 -1.062 1.00 0.75 C ATOM 0 H5' DT A 5 -9.488 -6.879 -4.280 1.00 1.01 H new ATOM 0 H5'' DT A 5 -10.453 -8.274 -4.722 1.00 1.01 H new ATOM 0 H4' DT A 5 -8.326 -8.322 -5.800 1.00 1.03 H new ATOM 0 H3' DT A 5 -9.151 -10.490 -5.370 1.00 1.07 H new ATOM 0 H2' DT A 5 -8.414 -10.509 -2.829 1.00 0.98 H new ATOM 0 H2'' DT A 5 -7.207 -11.527 -3.589 1.00 0.98 H new ATOM 0 H1' DT A 5 -5.765 -9.747 -4.060 1.00 0.85 H new ATOM 0 H3 DT A 5 -3.344 -8.212 -0.607 1.00 0.91 H new ATOM 0 H71 DT A 5 -7.021 -9.286 2.211 1.00 0.85 H new ATOM 0 H72 DT A 5 -8.012 -8.039 1.416 1.00 0.85 H new ATOM 0 H73 DT A 5 -8.258 -9.756 1.021 1.00 0.85 H new ATOM 0 H6 DT A 5 -7.942 -9.437 -1.208 1.00 0.75 H new ATOM 160 P DT A 6 -6.242 -10.118 -6.936 1.00 1.07 P ATOM 161 OP1 DT A 6 -6.914 -8.889 -7.411 1.00 1.14 O ATOM 162 OP2 DT A 6 -5.810 -11.139 -7.916 1.00 1.11 O ATOM 163 O5' DT A 6 -4.984 -9.679 -6.004 1.00 1.07 O ATOM 164 C5' DT A 6 -3.866 -10.448 -5.477 1.00 1.04 C ATOM 165 C4' DT A 6 -4.044 -11.948 -5.256 1.00 0.94 C ATOM 166 O4' DT A 6 -5.297 -12.149 -4.606 1.00 1.00 O ATOM 167 C3' DT A 6 -4.125 -12.899 -6.416 1.00 0.84 C ATOM 168 O3' DT A 6 -2.917 -13.407 -6.988 1.00 0.83 O ATOM 169 C2' DT A 6 -4.810 -14.115 -5.770 1.00 0.93 C ATOM 170 C1' DT A 6 -5.593 -13.544 -4.583 1.00 1.02 C ATOM 171 N1 DT A 6 -7.045 -13.816 -4.492 1.00 1.08 N ATOM 172 C2 DT A 6 -7.509 -14.528 -3.395 1.00 1.37 C ATOM 173 O2 DT A 6 -6.778 -14.964 -2.507 1.00 1.55 O ATOM 174 N3 DT A 6 -8.863 -14.743 -3.347 1.00 1.53 N ATOM 175 C4 DT A 6 -9.781 -14.318 -4.280 1.00 1.45 C ATOM 176 O4 DT A 6 -10.967 -14.577 -4.122 1.00 1.69 O ATOM 177 C5 DT A 6 -9.218 -13.584 -5.393 1.00 1.18 C ATOM 178 C7 DT A 6 -10.120 -13.056 -6.513 1.00 1.24 C ATOM 179 C6 DT A 6 -7.897 -13.369 -5.445 1.00 1.01 C ATOM 0 H5' DT A 6 -3.582 -10.005 -4.522 1.00 1.04 H new ATOM 0 H5'' DT A 6 -3.023 -10.312 -6.155 1.00 1.04 H new ATOM 0 H4' DT A 6 -3.118 -12.185 -4.733 1.00 0.94 H new ATOM 0 H3' DT A 6 -4.597 -12.365 -7.241 1.00 0.84 H new ATOM 0 H2' DT A 6 -5.473 -14.616 -6.476 1.00 0.93 H new ATOM 0 H2'' DT A 6 -4.078 -14.853 -5.442 1.00 0.93 H new ATOM 0 H1' DT A 6 -5.269 -14.065 -3.682 1.00 1.02 H new ATOM 0 H3 DT A 6 -9.222 -15.265 -2.548 1.00 1.53 H new ATOM 0 H71 DT A 6 -9.686 -12.148 -6.932 1.00 1.24 H new ATOM 0 H72 DT A 6 -10.208 -13.810 -7.295 1.00 1.24 H new ATOM 0 H73 DT A 6 -11.108 -12.834 -6.110 1.00 1.24 H new ATOM 0 H6 DT A 6 -7.495 -12.816 -6.281 1.00 1.01 H new ATOM 192 P DT A 7 -1.791 -12.439 -7.602 1.00 0.76 P ATOM 193 OP1 DT A 7 -2.472 -11.324 -8.298 1.00 0.86 O ATOM 194 OP2 DT A 7 -0.797 -13.272 -8.318 1.00 0.80 O ATOM 195 O5' DT A 7 -1.081 -11.873 -6.252 1.00 0.77 O ATOM 196 C5' DT A 7 -0.177 -12.660 -5.437 1.00 0.71 C ATOM 197 C4' DT A 7 0.263 -11.925 -4.133 1.00 0.73 C ATOM 198 O4' DT A 7 -0.919 -11.765 -3.314 1.00 0.84 O ATOM 199 C3' DT A 7 1.206 -12.629 -3.141 1.00 0.73 C ATOM 200 O3' DT A 7 2.644 -12.644 -3.332 1.00 0.74 O ATOM 201 C2' DT A 7 0.798 -12.061 -1.742 1.00 0.79 C ATOM 202 C1' DT A 7 -0.568 -11.344 -1.976 1.00 0.87 C ATOM 203 N1 DT A 7 -1.663 -11.791 -1.078 1.00 0.98 N ATOM 204 C2 DT A 7 -2.236 -10.847 -0.229 1.00 1.17 C ATOM 205 O2 DT A 7 -1.866 -9.679 -0.163 1.00 1.26 O ATOM 206 N3 DT A 7 -3.269 -11.284 0.564 1.00 1.31 N ATOM 207 C4 DT A 7 -3.784 -12.557 0.590 1.00 1.28 C ATOM 208 O4 DT A 7 -4.712 -12.820 1.347 1.00 1.45 O ATOM 209 C5 DT A 7 -3.132 -13.475 -0.323 1.00 1.08 C ATOM 210 C7 DT A 7 -3.586 -14.918 -0.474 1.00 1.09 C ATOM 211 C6 DT A 7 -2.120 -13.077 -1.101 1.00 0.97 C ATOM 0 H5' DT A 7 0.707 -12.910 -6.023 1.00 0.71 H new ATOM 0 H5'' DT A 7 -0.660 -13.600 -5.172 1.00 0.71 H new ATOM 0 H4' DT A 7 0.781 -11.053 -4.532 1.00 0.73 H new ATOM 0 H3' DT A 7 1.051 -13.697 -3.297 1.00 0.73 H new ATOM 0 H2' DT A 7 0.703 -12.859 -1.005 1.00 0.79 H new ATOM 0 H2'' DT A 7 1.548 -11.366 -1.365 1.00 0.79 H new ATOM 0 H1' DT A 7 -0.461 -10.273 -1.802 1.00 0.87 H new ATOM 0 H3 DT A 7 -3.693 -10.600 1.191 1.00 1.31 H new ATOM 0 H71 DT A 7 -3.381 -15.260 -1.489 1.00 1.09 H new ATOM 0 H72 DT A 7 -3.047 -15.545 0.236 1.00 1.09 H new ATOM 0 H73 DT A 7 -4.656 -14.985 -0.278 1.00 1.09 H new ATOM 0 H6 DT A 7 -1.653 -13.790 -1.764 1.00 0.97 H new ATOM 224 P DT A 8 3.722 -11.553 -2.779 1.00 0.74 P ATOM 225 OP1 DT A 8 5.003 -11.753 -3.491 1.00 0.89 O ATOM 226 OP2 DT A 8 3.709 -11.593 -1.296 1.00 0.81 O ATOM 227 O5' DT A 8 3.052 -10.149 -3.244 1.00 0.70 O ATOM 228 C5' DT A 8 2.915 -9.701 -4.607 1.00 0.81 C ATOM 229 C4' DT A 8 3.993 -8.681 -5.003 1.00 0.76 C ATOM 230 O4' DT A 8 4.013 -7.659 -3.990 1.00 0.79 O ATOM 231 C3' DT A 8 5.438 -9.178 -5.020 1.00 0.69 C ATOM 232 O3' DT A 8 6.019 -9.713 -6.216 1.00 0.76 O ATOM 233 C2' DT A 8 6.221 -7.910 -4.783 1.00 0.73 C ATOM 234 C1' DT A 8 5.368 -7.403 -3.596 1.00 0.74 C ATOM 235 N1 DT A 8 5.680 -7.869 -2.203 1.00 0.70 N ATOM 236 C2 DT A 8 7.016 -7.846 -1.814 1.00 0.77 C ATOM 237 O2 DT A 8 7.938 -7.454 -2.521 1.00 0.83 O ATOM 238 N3 DT A 8 7.289 -8.277 -0.541 1.00 0.81 N ATOM 239 C4 DT A 8 6.381 -8.723 0.388 1.00 0.79 C ATOM 240 O4 DT A 8 6.780 -9.080 1.494 1.00 0.89 O ATOM 241 C5 DT A 8 5.006 -8.720 -0.073 1.00 0.71 C ATOM 242 C7 DT A 8 3.875 -9.187 0.868 1.00 0.73 C ATOM 243 C6 DT A 8 4.705 -8.304 -1.326 1.00 0.69 C ATOM 0 H5' DT A 8 1.930 -9.254 -4.742 1.00 0.81 H new ATOM 0 H5'' DT A 8 2.970 -10.560 -5.276 1.00 0.81 H new ATOM 0 H4' DT A 8 3.719 -8.384 -6.015 1.00 0.76 H new ATOM 0 H3' DT A 8 5.460 -10.012 -4.319 1.00 0.69 H new ATOM 0 H2' DT A 8 7.264 -8.088 -4.521 1.00 0.73 H new ATOM 0 H2'' DT A 8 6.218 -7.234 -5.638 1.00 0.73 H new ATOM 0 H1' DT A 8 5.607 -6.350 -3.449 1.00 0.74 H new ATOM 0 H3 DT A 8 8.268 -8.265 -0.254 1.00 0.81 H new ATOM 0 H71 DT A 8 4.262 -9.936 1.559 1.00 0.73 H new ATOM 0 H72 DT A 8 3.496 -8.335 1.432 1.00 0.73 H new ATOM 0 H73 DT A 8 3.067 -9.621 0.279 1.00 0.73 H new ATOM 0 H6 DT A 8 3.674 -8.312 -1.649 1.00 0.69 H new ATOM 256 P DG A 9 5.244 -10.605 -7.317 1.00 0.79 P ATOM 257 OP1 DG A 9 4.578 -11.727 -6.618 1.00 0.86 O ATOM 258 OP2 DG A 9 6.189 -10.888 -8.424 1.00 0.88 O ATOM 259 O5' DG A 9 4.091 -9.617 -7.885 1.00 0.83 O ATOM 260 C5' DG A 9 4.345 -8.474 -8.716 1.00 0.86 C ATOM 261 C4' DG A 9 3.037 -7.727 -9.096 1.00 0.86 C ATOM 262 O4' DG A 9 2.288 -7.338 -7.940 1.00 0.83 O ATOM 263 C3' DG A 9 3.031 -6.506 -10.033 1.00 0.92 C ATOM 264 O3' DG A 9 2.167 -6.495 -11.180 1.00 1.08 O ATOM 265 C2' DG A 9 2.734 -5.344 -9.074 1.00 0.86 C ATOM 266 C1' DG A 9 1.718 -6.045 -8.137 1.00 0.79 C ATOM 267 N9 DG A 9 1.660 -5.594 -6.748 1.00 0.69 N ATOM 268 C8 DG A 9 2.679 -5.184 -5.934 1.00 0.66 C ATOM 269 N7 DG A 9 2.304 -4.887 -4.719 1.00 0.58 N ATOM 270 C5 DG A 9 0.931 -5.118 -4.745 1.00 0.56 C ATOM 271 C6 DG A 9 -0.028 -4.973 -3.723 1.00 0.50 C ATOM 272 O6 DG A 9 0.135 -4.622 -2.563 1.00 0.48 O ATOM 273 N1 DG A 9 -1.288 -5.306 -4.154 1.00 0.52 N ATOM 274 C2 DG A 9 -1.603 -5.737 -5.422 1.00 0.60 C ATOM 275 N2 DG A 9 -2.869 -6.018 -5.662 1.00 0.66 N ATOM 276 N3 DG A 9 -0.713 -5.882 -6.395 1.00 0.67 N ATOM 277 C4 DG A 9 0.533 -5.551 -5.980 1.00 0.63 C ATOM 0 H5' DG A 9 4.857 -8.793 -9.624 1.00 0.86 H new ATOM 0 H5'' DG A 9 5.015 -7.790 -8.196 1.00 0.86 H new ATOM 0 H4' DG A 9 2.607 -8.525 -9.702 1.00 0.86 H new ATOM 0 H3' DG A 9 3.986 -6.471 -10.558 1.00 0.92 H new ATOM 0 H2' DG A 9 3.623 -4.998 -8.546 1.00 0.86 H new ATOM 0 H2'' DG A 9 2.308 -4.479 -9.582 1.00 0.86 H new ATOM 0 H1' DG A 9 0.742 -5.905 -8.602 1.00 0.79 H new ATOM 0 H8 DG A 9 3.704 -5.112 -6.267 1.00 0.66 H new ATOM 0 H1 DG A 9 -2.051 -5.228 -3.481 1.00 0.52 H new ATOM 0 H21 DG A 9 -3.153 -6.341 -6.587 1.00 0.66 H new ATOM 0 H22 DG A 9 -3.564 -5.912 -4.923 1.00 0.66 H new ATOM 289 P DG A 10 0.576 -6.264 -11.363 1.00 0.90 P ATOM 290 OP1 DG A 10 -0.139 -7.543 -11.193 1.00 1.33 O ATOM 291 OP2 DG A 10 0.416 -5.504 -12.626 1.00 1.27 O ATOM 292 O5' DG A 10 0.151 -5.237 -10.177 1.00 0.93 O ATOM 293 C5' DG A 10 -0.379 -3.929 -10.444 1.00 0.85 C ATOM 294 C4' DG A 10 -1.901 -3.879 -10.326 1.00 0.59 C ATOM 295 O4' DG A 10 -2.308 -4.101 -8.964 1.00 0.54 O ATOM 296 C3' DG A 10 -2.618 -2.587 -10.728 1.00 0.64 C ATOM 297 O3' DG A 10 -3.994 -2.753 -11.113 1.00 0.74 O ATOM 298 C2' DG A 10 -2.499 -1.853 -9.403 1.00 0.60 C ATOM 299 C1' DG A 10 -3.059 -2.963 -8.526 1.00 0.48 C ATOM 300 N9 DG A 10 -2.856 -2.713 -7.094 1.00 0.45 N ATOM 301 C8 DG A 10 -3.793 -2.633 -6.103 1.00 0.44 C ATOM 302 N7 DG A 10 -3.291 -2.375 -4.930 1.00 0.44 N ATOM 303 C5 DG A 10 -1.923 -2.280 -5.167 1.00 0.46 C ATOM 304 C6 DG A 10 -0.863 -2.016 -4.273 1.00 0.49 C ATOM 305 O6 DG A 10 -0.939 -1.808 -3.070 1.00 0.53 O ATOM 306 N1 DG A 10 0.355 -2.008 -4.911 1.00 0.51 N ATOM 307 C2 DG A 10 0.542 -2.225 -6.249 1.00 0.53 C ATOM 308 N2 DG A 10 1.795 -2.169 -6.656 1.00 0.59 N ATOM 309 N3 DG A 10 -0.443 -2.474 -7.103 1.00 0.51 N ATOM 310 C4 DG A 10 -1.649 -2.487 -6.488 1.00 0.47 C ATOM 0 H5' DG A 10 -0.085 -3.619 -11.447 1.00 0.85 H new ATOM 0 H5'' DG A 10 0.060 -3.214 -9.748 1.00 0.85 H new ATOM 0 H4' DG A 10 -2.189 -4.651 -11.039 1.00 0.59 H new ATOM 0 H3' DG A 10 -2.201 -2.102 -11.611 1.00 0.64 H new ATOM 0 H2' DG A 10 -1.473 -1.583 -9.152 1.00 0.60 H new ATOM 0 H2'' DG A 10 -3.088 -0.937 -9.365 1.00 0.60 H new ATOM 0 H1' DG A 10 -4.139 -3.073 -8.624 1.00 0.48 H new ATOM 0 H8 DG A 10 -4.850 -2.771 -6.276 1.00 0.44 H new ATOM 0 H1 DG A 10 1.183 -1.826 -4.343 1.00 0.51 H new ATOM 0 H21 DG A 10 2.019 -2.320 -7.640 1.00 0.59 H new ATOM 0 H22 DG A 10 2.540 -1.975 -5.987 1.00 0.59 H new ATOM 322 P DG A 11 -5.017 -1.528 -11.383 1.00 0.93 P ATOM 323 OP1 DG A 11 -6.199 -2.048 -12.104 1.00 1.28 O ATOM 324 OP2 DG A 11 -4.275 -0.362 -11.916 1.00 1.28 O ATOM 325 O5' DG A 11 -5.458 -1.221 -9.867 1.00 0.77 O ATOM 326 C5' DG A 11 -6.125 -0.015 -9.499 1.00 0.66 C ATOM 327 C4' DG A 11 -6.732 -0.095 -8.089 1.00 0.47 C ATOM 328 O4' DG A 11 -5.680 -0.392 -7.144 1.00 0.44 O ATOM 329 C3' DG A 11 -7.381 1.213 -7.576 1.00 0.60 C ATOM 330 O3' DG A 11 -8.160 1.311 -6.349 1.00 0.82 O ATOM 331 C2' DG A 11 -6.082 1.847 -7.168 1.00 0.56 C ATOM 332 C1' DG A 11 -5.600 0.741 -6.284 1.00 0.44 C ATOM 333 N9 DG A 11 -4.260 0.937 -5.760 1.00 0.37 N ATOM 334 C8 DG A 11 -3.088 1.004 -6.433 1.00 0.38 C ATOM 335 N7 DG A 11 -2.051 1.188 -5.663 1.00 0.36 N ATOM 336 C5 DG A 11 -2.598 1.249 -4.386 1.00 0.33 C ATOM 337 C6 DG A 11 -1.982 1.436 -3.127 1.00 0.35 C ATOM 338 O6 DG A 11 -0.794 1.591 -2.882 1.00 0.39 O ATOM 339 N1 DG A 11 -2.907 1.434 -2.098 1.00 0.36 N ATOM 340 C2 DG A 11 -4.263 1.273 -2.261 1.00 0.38 C ATOM 341 N2 DG A 11 -5.045 1.319 -1.202 1.00 0.47 N ATOM 342 N3 DG A 11 -4.839 1.096 -3.437 1.00 0.37 N ATOM 343 C4 DG A 11 -3.951 1.094 -4.447 1.00 0.34 C ATOM 0 H5' DG A 11 -6.914 0.197 -10.221 1.00 0.66 H new ATOM 0 H5'' DG A 11 -5.421 0.816 -9.543 1.00 0.66 H new ATOM 0 H4' DG A 11 -7.507 -0.857 -8.164 1.00 0.47 H new ATOM 0 H3' DG A 11 -8.097 1.553 -8.324 1.00 0.60 H new ATOM 0 H2' DG A 11 -5.418 2.043 -8.010 1.00 0.56 H new ATOM 0 H2'' DG A 11 -6.214 2.791 -6.640 1.00 0.56 H new ATOM 0 H1' DG A 11 -6.194 0.655 -5.374 1.00 0.44 H new ATOM 0 H8 DG A 11 -3.018 0.914 -7.507 1.00 0.38 H new ATOM 0 H1 DG A 11 -2.557 1.561 -1.148 1.00 0.36 H new ATOM 0 H21 DG A 11 -6.053 1.201 -1.307 1.00 0.47 H new ATOM 0 H22 DG A 11 -4.643 1.472 -0.277 1.00 0.47 H new ATOM 355 P DC A 12 -9.382 0.323 -5.993 1.00 1.54 P ATOM 356 OP1 DC A 12 -8.880 -1.057 -6.017 1.00 2.29 O ATOM 357 OP2 DC A 12 -10.515 0.723 -6.856 1.00 2.23 O ATOM 358 O5' DC A 12 -9.760 0.711 -4.447 1.00 1.27 O ATOM 359 C5' DC A 12 -8.785 1.007 -3.433 1.00 1.06 C ATOM 360 C4' DC A 12 -8.941 2.474 -2.988 1.00 0.80 C ATOM 361 O4' DC A 12 -7.780 2.841 -2.228 1.00 0.73 O ATOM 362 C3' DC A 12 -8.894 3.426 -4.160 1.00 0.84 C ATOM 363 O3' DC A 12 -10.117 3.521 -4.865 1.00 1.13 O ATOM 364 C2' DC A 12 -8.424 4.743 -3.565 1.00 0.69 C ATOM 365 C1' DC A 12 -7.458 4.231 -2.442 1.00 0.55 C ATOM 366 N1 DC A 12 -5.974 4.322 -2.579 1.00 0.48 N ATOM 367 C2 DC A 12 -5.284 4.463 -1.398 1.00 0.53 C ATOM 368 O2 DC A 12 -5.888 4.552 -0.342 1.00 0.68 O ATOM 369 N3 DC A 12 -3.931 4.509 -1.427 1.00 0.50 N ATOM 370 C4 DC A 12 -3.256 4.418 -2.571 1.00 0.40 C ATOM 371 N4 DC A 12 -1.933 4.477 -2.483 1.00 0.38 N ATOM 372 C5 DC A 12 -3.950 4.273 -3.800 1.00 0.41 C ATOM 373 C6 DC A 12 -5.288 4.236 -3.753 1.00 0.46 C ATOM 0 H5' DC A 12 -7.780 0.837 -3.818 1.00 1.06 H new ATOM 0 H5'' DC A 12 -8.916 0.341 -2.581 1.00 1.06 H new ATOM 0 H4' DC A 12 -9.887 2.540 -2.450 1.00 0.80 H new ATOM 0 H3' DC A 12 -8.214 3.074 -4.936 1.00 0.84 H new ATOM 0 H2' DC A 12 -7.912 5.368 -4.297 1.00 0.69 H new ATOM 0 H2'' DC A 12 -9.248 5.333 -3.164 1.00 0.69 H new ATOM 0 HO3' DC A 12 -10.515 2.630 -4.951 1.00 1.13 H new ATOM 0 H1' DC A 12 -7.647 4.937 -1.633 1.00 0.55 H new ATOM 0 H41 DC A 12 -1.362 4.413 -3.326 1.00 0.38 H new ATOM 0 H42 DC A 12 -1.487 4.587 -1.572 1.00 0.38 H new ATOM 0 H5 DC A 12 -3.420 4.195 -4.738 1.00 0.41 H new ATOM 0 H6 DC A 12 -5.841 4.135 -4.675 1.00 0.46 H new TER 386 DC A 12 ATOM 387 O5' DG B 1 -3.892 -6.081 8.004 1.00 0.83 O ATOM 388 C5' DG B 1 -2.680 -6.359 8.734 1.00 0.76 C ATOM 389 C4' DG B 1 -1.456 -5.689 8.116 1.00 0.63 C ATOM 390 O4' DG B 1 -1.237 -6.132 6.773 1.00 0.60 O ATOM 391 C3' DG B 1 -1.510 -4.205 7.962 1.00 0.54 C ATOM 392 O3' DG B 1 -1.335 -3.324 9.101 1.00 0.60 O ATOM 393 C2' DG B 1 -0.483 -3.954 6.836 1.00 0.47 C ATOM 394 C1' DG B 1 -0.126 -5.350 6.304 1.00 0.53 C ATOM 395 N9 DG B 1 -0.190 -5.350 4.830 1.00 0.48 N ATOM 396 C8 DG B 1 -1.273 -5.390 3.998 1.00 0.47 C ATOM 397 N7 DG B 1 -0.988 -5.334 2.717 1.00 0.44 N ATOM 398 C5 DG B 1 0.402 -5.254 2.735 1.00 0.42 C ATOM 399 C6 DG B 1 1.320 -5.167 1.682 1.00 0.43 C ATOM 400 O6 DG B 1 1.087 -5.145 0.494 1.00 0.48 O ATOM 401 N1 DG B 1 2.619 -5.099 2.112 1.00 0.46 N ATOM 402 C2 DG B 1 2.996 -5.119 3.426 1.00 0.50 C ATOM 403 N2 DG B 1 4.266 -5.048 3.731 1.00 0.59 N ATOM 404 N3 DG B 1 2.152 -5.200 4.423 1.00 0.49 N ATOM 405 C4 DG B 1 0.878 -5.262 4.011 1.00 0.45 C ATOM 0 H5' DG B 1 -2.521 -7.437 8.769 1.00 0.76 H new ATOM 0 H5'' DG B 1 -2.794 -6.020 9.764 1.00 0.76 H new ATOM 0 H4' DG B 1 -0.684 -5.966 8.834 1.00 0.63 H new ATOM 0 H3' DG B 1 -2.544 -3.923 7.762 1.00 0.54 H new ATOM 0 H2' DG B 1 -0.905 -3.328 6.050 1.00 0.47 H new ATOM 0 H2'' DG B 1 0.400 -3.438 7.215 1.00 0.47 H new ATOM 0 HO5' DG B 1 -4.646 -6.533 8.437 1.00 0.83 H new ATOM 0 H1' DG B 1 0.862 -5.694 6.611 1.00 0.53 H new ATOM 0 H8 DG B 1 -2.286 -5.462 4.366 1.00 0.47 H new ATOM 0 H1 DG B 1 3.352 -5.029 1.406 1.00 0.46 H new ATOM 0 H21 DG B 1 4.557 -5.062 4.708 1.00 0.59 H new ATOM 0 H22 DG B 1 4.965 -4.978 2.991 1.00 0.59 H new ATOM 418 P DG B 2 -0.117 -3.494 10.164 1.00 0.54 P ATOM 419 OP1 DG B 2 -0.438 -4.585 11.113 1.00 0.64 O ATOM 420 OP2 DG B 2 0.264 -2.161 10.677 1.00 0.67 O ATOM 421 O5' DG B 2 1.021 -4.030 9.150 1.00 0.71 O ATOM 422 C5' DG B 2 2.437 -3.916 9.282 1.00 0.75 C ATOM 423 C4' DG B 2 3.034 -2.850 8.375 1.00 0.71 C ATOM 424 O4' DG B 2 2.847 -3.125 6.980 1.00 0.66 O ATOM 425 C3' DG B 2 2.418 -1.440 8.481 1.00 0.66 C ATOM 426 O3' DG B 2 2.818 -0.448 9.437 1.00 0.75 O ATOM 427 C2' DG B 2 2.565 -0.879 7.080 1.00 0.62 C ATOM 428 C1' DG B 2 3.410 -1.939 6.397 1.00 0.63 C ATOM 429 N9 DG B 2 3.294 -1.941 4.930 1.00 0.55 N ATOM 430 C8 DG B 2 4.274 -1.927 3.974 1.00 0.54 C ATOM 431 N7 DG B 2 3.809 -1.937 2.752 1.00 0.47 N ATOM 432 C5 DG B 2 2.427 -1.960 2.919 1.00 0.43 C ATOM 433 C6 DG B 2 1.371 -1.983 1.963 1.00 0.41 C ATOM 434 O6 DG B 2 1.468 -1.994 0.743 1.00 0.45 O ATOM 435 N1 DG B 2 0.128 -1.999 2.576 1.00 0.41 N ATOM 436 C2 DG B 2 -0.051 -1.995 3.936 1.00 0.43 C ATOM 437 N2 DG B 2 -1.264 -2.002 4.401 1.00 0.49 N ATOM 438 N3 DG B 2 0.918 -1.977 4.818 1.00 0.47 N ATOM 439 C4 DG B 2 2.125 -1.962 4.246 1.00 0.47 C ATOM 0 H5' DG B 2 2.896 -4.878 9.054 1.00 0.75 H new ATOM 0 H5'' DG B 2 2.682 -3.683 10.318 1.00 0.75 H new ATOM 0 H4' DG B 2 4.068 -2.875 8.720 1.00 0.71 H new ATOM 0 H3' DG B 2 1.428 -1.628 8.898 1.00 0.66 H new ATOM 0 H2' DG B 2 1.600 -0.750 6.590 1.00 0.62 H new ATOM 0 H2'' DG B 2 3.055 0.094 7.081 1.00 0.62 H new ATOM 0 H1' DG B 2 4.482 -1.805 6.544 1.00 0.63 H new ATOM 0 H8 DG B 2 5.329 -1.909 4.207 1.00 0.54 H new ATOM 0 H1 DG B 2 -0.701 -2.015 1.982 1.00 0.41 H new ATOM 0 H21 DG B 2 -1.424 -1.999 5.408 1.00 0.49 H new ATOM 0 H22 DG B 2 -2.056 -2.010 3.759 1.00 0.49 H new ATOM 451 P DG B 3 4.324 0.119 9.591 1.00 0.76 P ATOM 452 OP1 DG B 3 5.186 -0.954 10.142 1.00 0.82 O ATOM 453 OP2 DG B 3 4.225 1.408 10.311 1.00 0.86 O ATOM 454 O5' DG B 3 4.862 0.459 8.089 1.00 0.78 O ATOM 455 C5' DG B 3 6.183 0.056 7.645 1.00 0.75 C ATOM 456 C4' DG B 3 6.700 0.676 6.330 1.00 0.66 C ATOM 457 O4' DG B 3 5.865 0.384 5.190 1.00 0.64 O ATOM 458 C3' DG B 3 7.059 2.155 6.198 1.00 0.66 C ATOM 459 O3' DG B 3 8.325 2.316 5.536 1.00 0.80 O ATOM 460 C2' DG B 3 5.906 2.652 5.342 1.00 0.61 C ATOM 461 C1' DG B 3 5.877 1.518 4.312 1.00 0.62 C ATOM 462 N9 DG B 3 4.625 1.547 3.532 1.00 0.57 N ATOM 463 C8 DG B 3 3.357 1.603 4.040 1.00 0.59 C ATOM 464 N7 DG B 3 2.451 1.640 3.131 1.00 0.56 N ATOM 465 C5 DG B 3 3.116 1.609 1.946 1.00 0.49 C ATOM 466 C6 DG B 3 2.571 1.633 0.659 1.00 0.45 C ATOM 467 O6 DG B 3 1.381 1.679 0.367 1.00 0.51 O ATOM 468 N1 DG B 3 3.554 1.590 -0.292 1.00 0.42 N ATOM 469 C2 DG B 3 4.896 1.530 -0.021 1.00 0.43 C ATOM 470 N2 DG B 3 5.700 1.486 -1.062 1.00 0.47 N ATOM 471 N3 DG B 3 5.419 1.507 1.204 1.00 0.48 N ATOM 472 C4 DG B 3 4.463 1.550 2.154 1.00 0.50 C ATOM 0 H5' DG B 3 6.186 -1.028 7.532 1.00 0.75 H new ATOM 0 H5'' DG B 3 6.894 0.297 8.435 1.00 0.75 H new ATOM 0 H4' DG B 3 7.660 0.161 6.364 1.00 0.66 H new ATOM 0 H3' DG B 3 7.173 2.688 7.142 1.00 0.66 H new ATOM 0 H2' DG B 3 4.973 2.740 5.899 1.00 0.61 H new ATOM 0 H2'' DG B 3 6.102 3.626 4.893 1.00 0.61 H new ATOM 0 H1' DG B 3 6.686 1.548 3.582 1.00 0.62 H new ATOM 0 H8 DG B 3 3.140 1.615 5.098 1.00 0.59 H new ATOM 0 H1 DG B 3 3.268 1.604 -1.271 1.00 0.42 H new ATOM 0 H21 DG B 3 6.710 1.440 -0.925 1.00 0.47 H new ATOM 0 H22 DG B 3 5.313 1.497 -2.006 1.00 0.47 H new ATOM 484 P DC B 4 9.158 3.692 5.422 1.00 0.73 P ATOM 485 OP1 DC B 4 10.594 3.383 5.585 1.00 1.02 O ATOM 486 OP2 DC B 4 8.499 4.709 6.272 1.00 1.31 O ATOM 487 O5' DC B 4 8.843 3.990 3.880 1.00 0.95 O ATOM 488 C5' DC B 4 9.532 3.469 2.724 1.00 0.59 C ATOM 489 C4' DC B 4 8.991 4.166 1.483 1.00 0.51 C ATOM 490 O4' DC B 4 7.767 3.602 0.996 1.00 0.59 O ATOM 491 C3' DC B 4 8.490 5.590 1.741 1.00 0.47 C ATOM 492 O3' DC B 4 9.358 6.660 2.154 1.00 0.57 O ATOM 493 C2' DC B 4 7.849 5.880 0.390 1.00 0.58 C ATOM 494 C1' DC B 4 7.185 4.545 0.067 1.00 0.60 C ATOM 495 N1 DC B 4 5.718 4.633 0.179 1.00 0.51 N ATOM 496 C2 DC B 4 4.983 4.618 -1.001 1.00 0.46 C ATOM 497 O2 DC B 4 5.516 4.575 -2.106 1.00 0.54 O ATOM 498 N3 DC B 4 3.644 4.678 -0.913 1.00 0.41 N ATOM 499 C4 DC B 4 3.040 4.753 0.268 1.00 0.41 C ATOM 500 N4 DC B 4 1.727 4.791 0.170 1.00 0.40 N ATOM 501 C5 DC B 4 3.777 4.774 1.505 1.00 0.50 C ATOM 502 C6 DC B 4 5.117 4.713 1.401 1.00 0.54 C ATOM 0 H5' DC B 4 9.383 2.392 2.648 1.00 0.59 H new ATOM 0 H5'' DC B 4 10.605 3.637 2.815 1.00 0.59 H new ATOM 0 H4' DC B 4 9.848 4.085 0.815 1.00 0.51 H new ATOM 0 H3' DC B 4 7.887 5.585 2.649 1.00 0.47 H new ATOM 0 H2' DC B 4 7.126 6.693 0.447 1.00 0.58 H new ATOM 0 H2'' DC B 4 8.587 6.162 -0.361 1.00 0.58 H new ATOM 0 H1' DC B 4 7.359 4.232 -0.962 1.00 0.60 H new ATOM 0 H41 DC B 4 1.154 4.849 1.012 1.00 0.40 H new ATOM 0 H42 DC B 4 1.283 4.762 -0.748 1.00 0.40 H new ATOM 0 H5 DC B 4 3.282 4.835 2.463 1.00 0.50 H new ATOM 0 H6 DC B 4 5.723 4.728 2.295 1.00 0.54 H new ATOM 514 P DT B 5 10.769 7.052 1.463 1.00 0.74 P ATOM 515 OP1 DT B 5 11.383 5.811 0.943 1.00 0.77 O ATOM 516 OP2 DT B 5 11.529 7.876 2.432 1.00 0.93 O ATOM 517 O5' DT B 5 10.366 8.011 0.209 1.00 0.91 O ATOM 518 C5' DT B 5 10.582 7.692 -1.189 1.00 1.01 C ATOM 519 C4' DT B 5 9.559 8.368 -2.137 1.00 1.03 C ATOM 520 O4' DT B 5 8.313 7.970 -1.606 1.00 0.95 O ATOM 521 C3' DT B 5 9.503 9.894 -2.384 1.00 1.07 C ATOM 522 O3' DT B 5 8.908 10.515 -3.557 1.00 1.06 O ATOM 523 C2' DT B 5 8.590 10.271 -1.258 1.00 0.98 C ATOM 524 C1' DT B 5 7.566 9.142 -1.426 1.00 0.84 C ATOM 525 N1 DT B 5 6.656 8.850 -0.302 1.00 0.80 N ATOM 526 C2 DT B 5 5.344 8.497 -0.565 1.00 0.89 C ATOM 527 O2 DT B 5 4.896 8.406 -1.701 1.00 1.01 O ATOM 528 N3 DT B 5 4.554 8.230 0.534 1.00 0.92 N ATOM 529 C4 DT B 5 4.966 8.286 1.852 1.00 0.88 C ATOM 530 O4 DT B 5 4.190 8.018 2.762 1.00 0.99 O ATOM 531 C5 DT B 5 6.353 8.662 2.020 1.00 0.80 C ATOM 532 C7 DT B 5 7.010 8.784 3.391 1.00 0.85 C ATOM 533 C6 DT B 5 7.121 8.921 0.969 1.00 0.75 C ATOM 0 H5' DT B 5 10.529 6.611 -1.320 1.00 1.01 H new ATOM 0 H5'' DT B 5 11.588 7.999 -1.473 1.00 1.01 H new ATOM 0 H4' DT B 5 9.870 8.046 -3.131 1.00 1.03 H new ATOM 0 H3' DT B 5 10.538 10.218 -2.495 1.00 1.07 H new ATOM 0 H2' DT B 5 9.084 10.256 -0.287 1.00 0.98 H new ATOM 0 H2'' DT B 5 8.153 11.263 -1.378 1.00 0.98 H new ATOM 0 H1' DT B 5 6.924 9.470 -2.243 1.00 0.84 H new ATOM 0 H3 DT B 5 3.584 7.969 0.359 1.00 0.92 H new ATOM 0 H71 DT B 5 6.263 9.079 4.128 1.00 0.85 H new ATOM 0 H72 DT B 5 7.440 7.824 3.675 1.00 0.85 H new ATOM 0 H73 DT B 5 7.797 9.537 3.352 1.00 0.85 H new ATOM 0 H6 DT B 5 8.152 9.198 1.132 1.00 0.75 H new ATOM 546 P DT B 6 8.223 9.822 -4.848 1.00 1.06 P ATOM 547 OP1 DT B 6 9.005 8.588 -5.091 1.00 1.14 O ATOM 548 OP2 DT B 6 8.102 10.833 -5.922 1.00 1.10 O ATOM 549 O5' DT B 6 6.745 9.390 -4.326 1.00 1.08 O ATOM 550 C5' DT B 6 5.523 10.161 -4.157 1.00 1.04 C ATOM 551 C4' DT B 6 5.631 11.664 -3.910 1.00 0.94 C ATOM 552 O4' DT B 6 6.635 11.873 -2.921 1.00 0.99 O ATOM 553 C3' DT B 6 6.051 12.604 -5.004 1.00 0.85 C ATOM 554 O3' DT B 6 5.067 13.106 -5.912 1.00 0.82 O ATOM 555 C2' DT B 6 6.517 13.828 -4.194 1.00 0.93 C ATOM 556 C1' DT B 6 6.913 13.268 -2.822 1.00 1.02 C ATOM 557 N1 DT B 6 8.275 13.542 -2.309 1.00 1.09 N ATOM 558 C2 DT B 6 8.392 14.268 -1.131 1.00 1.37 C ATOM 559 O2 DT B 6 7.433 14.709 -0.505 1.00 1.55 O ATOM 560 N3 DT B 6 9.673 14.482 -0.691 1.00 1.53 N ATOM 561 C4 DT B 6 10.826 14.053 -1.307 1.00 1.44 C ATOM 562 O4 DT B 6 11.913 14.316 -0.805 1.00 1.69 O ATOM 563 C5 DT B 6 10.614 13.309 -2.525 1.00 1.18 C ATOM 564 C7 DT B 6 11.805 12.766 -3.322 1.00 1.24 C ATOM 565 C6 DT B 6 9.372 13.089 -2.968 1.00 1.02 C ATOM 0 H5' DT B 6 4.972 9.728 -3.322 1.00 1.04 H new ATOM 0 H5'' DT B 6 4.915 10.016 -5.050 1.00 1.04 H new ATOM 0 H4' DT B 6 4.592 11.905 -3.687 1.00 0.94 H new ATOM 0 H3' DT B 6 6.743 12.063 -5.649 1.00 0.85 H new ATOM 0 H2' DT B 6 7.360 14.323 -4.676 1.00 0.93 H new ATOM 0 H2'' DT B 6 5.722 14.568 -4.104 1.00 0.93 H new ATOM 0 H1' DT B 6 6.338 13.796 -2.061 1.00 1.02 H new ATOM 0 H3 DT B 6 9.781 15.009 0.175 1.00 1.53 H new ATOM 0 H71 DT B 6 11.510 11.854 -3.840 1.00 1.24 H new ATOM 0 H72 DT B 6 12.125 13.511 -4.051 1.00 1.24 H new ATOM 0 H73 DT B 6 12.628 12.547 -2.642 1.00 1.24 H new ATOM 0 H6 DT B 6 9.237 12.531 -3.883 1.00 1.02 H new ATOM 578 P DT B 7 4.171 12.130 -6.821 1.00 0.77 P ATOM 579 OP1 DT B 7 5.027 11.008 -7.274 1.00 0.86 O ATOM 580 OP2 DT B 7 3.434 12.954 -7.807 1.00 0.80 O ATOM 581 O5' DT B 7 3.093 11.575 -5.737 1.00 0.76 O ATOM 582 C5' DT B 7 1.991 12.368 -5.231 1.00 0.70 C ATOM 583 C4' DT B 7 1.183 11.645 -4.111 1.00 0.73 C ATOM 584 O4' DT B 7 2.069 11.493 -2.977 1.00 0.83 O ATOM 585 C3' DT B 7 -0.009 12.358 -3.446 1.00 0.73 C ATOM 586 O3' DT B 7 -1.327 12.367 -4.055 1.00 0.74 O ATOM 587 C2' DT B 7 -0.033 11.800 -1.987 1.00 0.78 C ATOM 588 C1' DT B 7 1.337 11.091 -1.797 1.00 0.87 C ATOM 589 N1 DT B 7 2.119 11.543 -0.620 1.00 0.98 N ATOM 590 C2 DT B 7 2.415 10.609 0.369 1.00 1.17 C ATOM 591 O2 DT B 7 2.041 9.439 0.333 1.00 1.26 O ATOM 592 N3 DT B 7 3.168 11.053 1.428 1.00 1.32 N ATOM 593 C4 DT B 7 3.654 12.328 1.591 1.00 1.27 C ATOM 594 O4 DT B 7 4.317 12.600 2.587 1.00 1.44 O ATOM 595 C5 DT B 7 3.302 13.238 0.517 1.00 1.08 C ATOM 596 C7 DT B 7 3.785 14.679 0.497 1.00 1.10 C ATOM 597 C6 DT B 7 2.564 12.831 -0.518 1.00 0.97 C ATOM 0 H5' DT B 7 1.320 12.614 -6.054 1.00 0.70 H new ATOM 0 H5'' DT B 7 2.377 13.310 -4.842 1.00 0.70 H new ATOM 0 H4' DT B 7 0.804 10.771 -4.640 1.00 0.73 H new ATOM 0 H3' DT B 7 0.186 13.425 -3.554 1.00 0.73 H new ATOM 0 H2' DT B 7 -0.165 12.602 -1.261 1.00 0.78 H new ATOM 0 H2'' DT B 7 -0.859 11.103 -1.846 1.00 0.78 H new ATOM 0 H1' DT B 7 1.181 10.023 -1.648 1.00 0.87 H new ATOM 0 H3 DT B 7 3.386 10.376 2.159 1.00 1.32 H new ATOM 0 H71 DT B 7 3.890 15.013 -0.535 1.00 1.10 H new ATOM 0 H72 DT B 7 3.062 15.312 1.011 1.00 1.10 H new ATOM 0 H73 DT B 7 4.749 14.747 1.000 1.00 1.10 H new ATOM 0 H6 DT B 7 2.312 13.538 -1.295 1.00 0.97 H new ATOM 610 P DT B 8 -2.522 11.280 -3.835 1.00 0.74 P ATOM 611 OP1 DT B 8 -3.536 11.472 -4.896 1.00 0.89 O ATOM 612 OP2 DT B 8 -2.948 11.335 -2.416 1.00 0.81 O ATOM 613 O5' DT B 8 -1.746 9.873 -4.069 1.00 0.70 O ATOM 614 C5' DT B 8 -1.213 9.412 -5.325 1.00 0.80 C ATOM 615 C4' DT B 8 -2.127 8.387 -6.012 1.00 0.76 C ATOM 616 O4' DT B 8 -2.448 7.374 -5.040 1.00 0.78 O ATOM 617 C3' DT B 8 -3.503 8.880 -6.461 1.00 0.69 C ATOM 618 O3' DT B 8 -3.703 9.404 -7.780 1.00 0.76 O ATOM 619 C2' DT B 8 -4.321 7.615 -6.455 1.00 0.72 C ATOM 620 C1' DT B 8 -3.859 7.119 -5.063 1.00 0.74 C ATOM 621 N1 DT B 8 -4.569 7.596 -3.830 1.00 0.69 N ATOM 622 C2 DT B 8 -5.959 7.579 -3.852 1.00 0.76 C ATOM 623 O2 DT B 8 -6.632 7.178 -4.797 1.00 0.83 O ATOM 624 N3 DT B 8 -6.597 8.021 -2.720 1.00 0.81 N ATOM 625 C4 DT B 8 -6.002 8.478 -1.569 1.00 0.78 C ATOM 626 O4 DT B 8 -6.710 8.844 -0.635 1.00 0.89 O ATOM 627 C5 DT B 8 -4.552 8.470 -1.603 1.00 0.71 C ATOM 628 C7 DT B 8 -3.750 8.947 -0.373 1.00 0.73 C ATOM 629 C6 DT B 8 -3.897 8.039 -2.707 1.00 0.68 C ATOM 0 H5' DT B 8 -0.233 8.965 -5.158 1.00 0.80 H new ATOM 0 H5'' DT B 8 -1.066 10.264 -5.988 1.00 0.80 H new ATOM 0 H4' DT B 8 -1.565 8.082 -6.895 1.00 0.76 H new ATOM 0 H3' DT B 8 -3.732 9.720 -5.805 1.00 0.69 H new ATOM 0 H2' DT B 8 -5.394 7.794 -6.516 1.00 0.72 H new ATOM 0 H2'' DT B 8 -4.066 6.931 -7.264 1.00 0.72 H new ATOM 0 H1' DT B 8 -4.133 6.067 -4.984 1.00 0.74 H new ATOM 0 H3 DT B 8 -7.617 8.009 -2.735 1.00 0.81 H new ATOM 0 H71 DT B 8 -4.323 9.703 0.164 1.00 0.73 H new ATOM 0 H72 DT B 8 -3.558 8.101 0.286 1.00 0.73 H new ATOM 0 H73 DT B 8 -2.802 9.375 -0.700 1.00 0.73 H new ATOM 0 H6 DT B 8 -2.817 8.042 -2.710 1.00 0.68 H new ATOM 642 P DG B 9 -2.637 10.287 -8.611 1.00 0.79 P ATOM 643 OP1 DG B 9 -2.205 11.417 -7.757 1.00 0.87 O ATOM 644 OP2 DG B 9 -3.211 10.557 -9.951 1.00 0.88 O ATOM 645 O5' DG B 9 -1.368 9.296 -8.804 1.00 0.83 O ATOM 646 C5' DG B 9 -1.366 8.144 -9.663 1.00 0.86 C ATOM 647 C4' DG B 9 -0.006 7.396 -9.630 1.00 0.87 C ATOM 648 O4' DG B 9 0.368 7.019 -8.302 1.00 0.82 O ATOM 649 C3' DG B 9 0.275 6.166 -10.512 1.00 0.92 C ATOM 650 O3' DG B 9 1.441 6.145 -11.352 1.00 1.08 O ATOM 651 C2' DG B 9 0.275 5.014 -9.497 1.00 0.87 C ATOM 652 C1' DG B 9 0.969 5.724 -8.309 1.00 0.80 C ATOM 653 N9 DG B 9 0.612 5.289 -6.960 1.00 0.69 N ATOM 654 C8 DG B 9 -0.601 4.882 -6.481 1.00 0.65 C ATOM 655 N7 DG B 9 -0.602 4.595 -5.205 1.00 0.58 N ATOM 656 C5 DG B 9 0.716 4.833 -4.826 1.00 0.55 C ATOM 657 C6 DG B 9 1.330 4.700 -3.566 1.00 0.50 C ATOM 658 O6 DG B 9 0.832 4.357 -2.502 1.00 0.47 O ATOM 659 N1 DG B 9 2.663 5.028 -3.608 1.00 0.52 N ATOM 660 C2 DG B 9 3.338 5.445 -4.731 1.00 0.61 C ATOM 661 N2 DG B 9 4.618 5.732 -4.588 1.00 0.66 N ATOM 662 N3 DG B 9 2.776 5.581 -5.925 1.00 0.67 N ATOM 663 C4 DG B 9 1.462 5.255 -5.893 1.00 0.63 C ATOM 0 H5' DG B 9 -1.585 8.454 -10.685 1.00 0.86 H new ATOM 0 H5'' DG B 9 -2.161 7.464 -9.359 1.00 0.86 H new ATOM 0 H4' DG B 9 0.585 8.190 -10.087 1.00 0.87 H new ATOM 0 H3' DG B 9 -0.483 6.125 -11.295 1.00 0.92 H new ATOM 0 H2' DG B 9 -0.730 4.671 -9.252 1.00 0.87 H new ATOM 0 H2'' DG B 9 0.831 4.145 -9.849 1.00 0.87 H new ATOM 0 H1' DG B 9 2.038 5.579 -8.463 1.00 0.80 H new ATOM 0 H8 DG B 9 -1.482 4.804 -7.101 1.00 0.65 H new ATOM 0 H1 DG B 9 3.193 4.957 -2.739 1.00 0.52 H new ATOM 0 H21 DG B 9 5.163 6.046 -5.391 1.00 0.66 H new ATOM 0 H22 DG B 9 5.062 5.640 -3.674 1.00 0.66 H new ATOM 675 P DG B 10 3.014 5.914 -11.056 1.00 0.90 P ATOM 676 OP1 DG B 10 3.648 7.197 -10.693 1.00 1.33 O ATOM 677 OP2 DG B 10 3.539 5.143 -12.207 1.00 1.27 O ATOM 678 O5' DG B 10 3.068 4.900 -9.786 1.00 0.93 O ATOM 679 C5' DG B 10 3.649 3.591 -9.871 1.00 0.86 C ATOM 680 C4' DG B 10 5.070 3.543 -9.310 1.00 0.59 C ATOM 681 O4' DG B 10 5.057 3.779 -7.891 1.00 0.54 O ATOM 682 C3' DG B 10 5.872 2.248 -9.470 1.00 0.64 C ATOM 683 O3' DG B 10 7.300 2.414 -9.431 1.00 0.74 O ATOM 684 C2' DG B 10 5.366 1.529 -8.231 1.00 0.61 C ATOM 685 C1' DG B 10 5.643 2.647 -7.238 1.00 0.48 C ATOM 686 N9 DG B 10 5.026 2.409 -5.928 1.00 0.45 N ATOM 687 C8 DG B 10 5.628 2.341 -4.704 1.00 0.44 C ATOM 688 N7 DG B 10 4.800 2.093 -3.730 1.00 0.44 N ATOM 689 C5 DG B 10 3.564 1.994 -4.360 1.00 0.46 C ATOM 690 C6 DG B 10 2.286 1.736 -3.817 1.00 0.49 C ATOM 691 O6 DG B 10 2.005 1.540 -2.643 1.00 0.53 O ATOM 692 N1 DG B 10 1.311 1.720 -4.785 1.00 0.52 N ATOM 693 C2 DG B 10 1.529 1.926 -6.121 1.00 0.53 C ATOM 694 N2 DG B 10 0.453 1.862 -6.879 1.00 0.59 N ATOM 695 N3 DG B 10 2.722 2.168 -6.648 1.00 0.50 N ATOM 696 C4 DG B 10 3.693 2.187 -5.704 1.00 0.47 C ATOM 0 H5' DG B 10 3.662 3.270 -10.913 1.00 0.86 H new ATOM 0 H5'' DG B 10 3.023 2.883 -9.327 1.00 0.86 H new ATOM 0 H4' DG B 10 5.558 4.307 -9.915 1.00 0.59 H new ATOM 0 H3' DG B 10 5.734 1.753 -10.431 1.00 0.64 H new ATOM 0 H2' DG B 10 4.311 1.260 -8.291 1.00 0.61 H new ATOM 0 H2'' DG B 10 5.916 0.614 -8.011 1.00 0.61 H new ATOM 0 H1' DG B 10 6.703 2.759 -7.011 1.00 0.48 H new ATOM 0 H8 DG B 10 6.689 2.480 -4.558 1.00 0.44 H new ATOM 0 H1 DG B 10 0.352 1.541 -4.486 1.00 0.52 H new ATOM 0 H21 DG B 10 0.529 2.004 -7.886 1.00 0.59 H new ATOM 0 H22 DG B 10 -0.456 1.670 -6.459 1.00 0.59 H new ATOM 708 P DG B 11 8.355 1.187 -9.376 1.00 0.93 P ATOM 709 OP1 DG B 11 9.699 1.702 -9.720 1.00 1.28 O ATOM 710 OP2 DG B 11 7.804 0.016 -10.094 1.00 1.28 O ATOM 711 O5' DG B 11 8.328 0.895 -7.795 1.00 0.77 O ATOM 712 C5' DG B 11 8.859 -0.305 -7.234 1.00 0.65 C ATOM 713 C4' DG B 11 9.018 -0.212 -5.708 1.00 0.47 C ATOM 714 O4' DG B 11 7.735 0.092 -5.121 1.00 0.43 O ATOM 715 C3' DG B 11 9.487 -1.512 -5.014 1.00 0.61 C ATOM 716 O3' DG B 11 9.868 -1.598 -3.610 1.00 0.81 O ATOM 717 C2' DG B 11 8.127 -2.147 -5.000 1.00 0.57 C ATOM 718 C1' DG B 11 7.403 -1.030 -4.313 1.00 0.43 C ATOM 719 N9 DG B 11 5.968 -1.224 -4.205 1.00 0.38 N ATOM 720 C8 DG B 11 5.046 -1.300 -5.193 1.00 0.38 C ATOM 721 N7 DG B 11 3.828 -1.478 -4.763 1.00 0.37 N ATOM 722 C5 DG B 11 3.973 -1.528 -3.380 1.00 0.34 C ATOM 723 C6 DG B 11 3.013 -1.703 -2.359 1.00 0.35 C ATOM 724 O6 DG B 11 1.805 -1.857 -2.473 1.00 0.40 O ATOM 725 N1 DG B 11 3.592 -1.691 -1.102 1.00 0.36 N ATOM 726 C2 DG B 11 4.936 -1.527 -0.858 1.00 0.38 C ATOM 727 N2 DG B 11 5.370 -1.563 0.385 1.00 0.47 N ATOM 728 N3 DG B 11 5.833 -1.361 -1.813 1.00 0.38 N ATOM 729 C4 DG B 11 5.284 -1.371 -3.042 1.00 0.35 C ATOM 0 H5' DG B 11 9.828 -0.518 -7.686 1.00 0.65 H new ATOM 0 H5'' DG B 11 8.203 -1.140 -7.479 1.00 0.65 H new ATOM 0 H4' DG B 11 9.780 0.552 -5.556 1.00 0.47 H new ATOM 0 H3' DG B 11 10.393 -1.855 -5.515 1.00 0.61 H new ATOM 0 H2' DG B 11 7.742 -2.357 -5.998 1.00 0.57 H new ATOM 0 H2'' DG B 11 8.097 -3.083 -4.443 1.00 0.57 H new ATOM 0 H1' DG B 11 7.700 -0.931 -3.269 1.00 0.43 H new ATOM 0 H8 DG B 11 5.296 -1.221 -6.241 1.00 0.38 H new ATOM 0 H1 DG B 11 2.977 -1.813 -0.297 1.00 0.36 H new ATOM 0 H21 DG B 11 6.364 -1.443 0.582 1.00 0.47 H new ATOM 0 H22 DG B 11 4.712 -1.711 1.151 1.00 0.47 H new ATOM 741 P DC B 12 10.931 -0.604 -2.918 1.00 1.54 P ATOM 742 OP1 DC B 12 10.460 0.773 -3.104 1.00 2.28 O ATOM 743 OP2 DC B 12 12.268 -1.012 -3.405 1.00 2.23 O ATOM 744 O5' DC B 12 10.833 -0.978 -1.328 1.00 1.27 O ATOM 745 C5' DC B 12 9.603 -1.264 -0.642 1.00 1.06 C ATOM 746 C4' DC B 12 9.619 -2.728 -0.159 1.00 0.81 C ATOM 747 O4' DC B 12 8.284 -3.090 0.226 1.00 0.74 O ATOM 748 C3' DC B 12 9.919 -3.691 -1.281 1.00 0.85 C ATOM 749 O3' DC B 12 11.296 -3.798 -1.594 1.00 1.15 O ATOM 750 C2' DC B 12 9.291 -5.005 -0.842 1.00 0.68 C ATOM 751 C1' DC B 12 8.038 -4.483 -0.059 1.00 0.55 C ATOM 752 N1 DC B 12 6.659 -4.577 -0.628 1.00 0.49 N ATOM 753 C2 DC B 12 5.652 -4.708 0.296 1.00 0.53 C ATOM 754 O2 DC B 12 5.917 -4.786 1.487 1.00 0.67 O ATOM 755 N3 DC B 12 4.369 -4.755 -0.130 1.00 0.49 N ATOM 756 C4 DC B 12 4.063 -4.677 -1.423 1.00 0.40 C ATOM 757 N4 DC B 12 2.769 -4.738 -1.727 1.00 0.37 N ATOM 758 C5 DC B 12 5.088 -4.543 -2.392 1.00 0.41 C ATOM 759 C6 DC B 12 6.354 -4.503 -1.952 1.00 0.46 C ATOM 0 H5' DC B 12 8.755 -1.097 -1.306 1.00 1.06 H new ATOM 0 H5'' DC B 12 9.481 -0.590 0.206 1.00 1.06 H new ATOM 0 H4' DC B 12 10.364 -2.788 0.634 1.00 0.81 H new ATOM 0 H3' DC B 12 9.500 -3.341 -2.224 1.00 0.85 H new ATOM 0 H2' DC B 12 9.017 -5.635 -1.688 1.00 0.68 H new ATOM 0 H2'' DC B 12 9.958 -5.592 -0.211 1.00 0.68 H new ATOM 0 HO3' DC B 12 11.710 -2.911 -1.554 1.00 1.15 H new ATOM 0 H1' DC B 12 7.980 -5.180 0.777 1.00 0.55 H new ATOM 0 H41 DC B 12 2.471 -4.684 -2.701 1.00 0.37 H new ATOM 0 H42 DC B 12 2.075 -4.839 -0.986 1.00 0.37 H new ATOM 0 H5 DC B 12 4.858 -4.476 -3.445 1.00 0.41 H new ATOM 0 H6 DC B 12 7.155 -4.409 -2.670 1.00 0.46 H new TER 772 DC B 12