USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 196 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl -30:sc= 0 (180deg=-0.0232) USER MOD Single : A 4 DT C7 :methyl 150:sc= -3.16! (180deg=-3.16!) USER MOD Single : A 5 DT C7 :methyl 150:sc= -8.51! (180deg=-8.51!) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl -30:sc= -19.2! (180deg=-23.3!) USER MOD Single : A 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DT C7 :methyl -30:sc= -2.24! (180deg=-3.05!) USER MOD Single : A 17 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.709 -2.710 -9.451 1.00 0.46 O ATOM 2 C5' DG A 1 -0.155 -2.869 -8.322 1.00 0.37 C ATOM 3 C4' DG A 1 -1.626 -2.729 -8.711 1.00 0.28 C ATOM 4 O4' DG A 1 -2.437 -3.026 -7.569 1.00 0.26 O ATOM 5 C3' DG A 1 -2.020 -1.329 -9.167 1.00 0.23 C ATOM 6 O3' DG A 1 -3.194 -1.407 -10.001 1.00 0.26 O ATOM 7 C2' DG A 1 -2.352 -0.659 -7.845 1.00 0.19 C ATOM 8 C1' DG A 1 -3.016 -1.804 -7.090 1.00 0.17 C ATOM 9 N9 DG A 1 -2.843 -1.766 -5.623 1.00 0.16 N ATOM 10 C8 DG A 1 -3.811 -1.800 -4.666 1.00 0.16 C ATOM 11 N7 DG A 1 -3.383 -1.765 -3.443 1.00 0.17 N ATOM 12 C5 DG A 1 -2.001 -1.703 -3.590 1.00 0.15 C ATOM 13 C6 DG A 1 -0.990 -1.645 -2.597 1.00 0.17 C ATOM 14 O6 DG A 1 -1.122 -1.629 -1.386 1.00 0.20 O ATOM 15 N1 DG A 1 0.272 -1.594 -3.150 1.00 0.16 N ATOM 16 C2 DG A 1 0.541 -1.595 -4.498 1.00 0.16 C ATOM 17 N2 DG A 1 1.823 -1.515 -4.835 1.00 0.18 N ATOM 18 N3 DG A 1 -0.404 -1.650 -5.447 1.00 0.16 N ATOM 19 C4 DG A 1 -1.653 -1.702 -4.922 1.00 0.15 C ATOM 0 H5' DG A 1 0.094 -2.124 -7.566 1.00 0.37 H new ATOM 0 H5'' DG A 1 0.011 -3.848 -7.872 1.00 0.37 H new ATOM 0 H4' DG A 1 -1.779 -3.415 -9.544 1.00 0.28 H new ATOM 0 H3' DG A 1 -1.260 -0.807 -9.748 1.00 0.23 H new ATOM 0 H2' DG A 1 -1.461 -0.292 -7.335 1.00 0.19 H new ATOM 0 H2'' DG A 1 -3.021 0.192 -7.972 1.00 0.19 H new ATOM 0 HO5' DG A 1 1.642 -2.804 -9.165 1.00 0.46 H new ATOM 0 H1' DG A 1 -4.087 -1.720 -7.273 1.00 0.17 H new ATOM 0 H8 DG A 1 -4.862 -1.852 -4.909 1.00 0.16 H new ATOM 0 H1 DG A 1 1.066 -1.552 -2.511 1.00 0.16 H new ATOM 0 H21 DG A 1 2.092 -1.511 -5.819 1.00 0.18 H new ATOM 0 H22 DG A 1 2.538 -1.458 -4.110 1.00 0.18 H new ATOM 31 P DG A 2 -3.778 -0.107 -10.764 1.00 0.31 P ATOM 32 OP1 DG A 2 -4.802 -0.556 -11.736 1.00 0.45 O ATOM 33 OP2 DG A 2 -2.630 0.708 -11.223 1.00 0.39 O ATOM 34 O5' DG A 2 -4.513 0.688 -9.576 1.00 0.31 O ATOM 35 C5' DG A 2 -5.631 0.113 -8.891 1.00 0.28 C ATOM 36 C4' DG A 2 -5.974 0.903 -7.633 1.00 0.24 C ATOM 37 O4' DG A 2 -5.045 0.592 -6.581 1.00 0.27 O ATOM 38 C3' DG A 2 -5.929 2.427 -7.837 1.00 0.22 C ATOM 39 O3' DG A 2 -7.195 2.997 -7.478 1.00 0.28 O ATOM 40 C2' DG A 2 -4.853 2.893 -6.861 1.00 0.18 C ATOM 41 C1' DG A 2 -4.871 1.784 -5.831 1.00 0.20 C ATOM 42 N9 DG A 2 -3.645 1.680 -5.012 1.00 0.18 N ATOM 43 C8 DG A 2 -2.335 1.802 -5.385 1.00 0.18 C ATOM 44 N7 DG A 2 -1.477 1.766 -4.412 1.00 0.17 N ATOM 45 C5 DG A 2 -2.282 1.600 -3.288 1.00 0.16 C ATOM 46 C6 DG A 2 -1.919 1.495 -1.921 1.00 0.16 C ATOM 47 O6 DG A 2 -0.792 1.542 -1.431 1.00 0.18 O ATOM 48 N1 DG A 2 -3.033 1.334 -1.109 1.00 0.16 N ATOM 49 C2 DG A 2 -4.334 1.282 -1.551 1.00 0.16 C ATOM 50 N2 DG A 2 -5.276 1.116 -0.623 1.00 0.18 N ATOM 51 N3 DG A 2 -4.680 1.385 -2.838 1.00 0.17 N ATOM 52 C4 DG A 2 -3.608 1.541 -3.647 1.00 0.16 C ATOM 0 H5' DG A 2 -5.405 -0.920 -8.625 1.00 0.28 H new ATOM 0 H5'' DG A 2 -6.495 0.089 -9.555 1.00 0.28 H new ATOM 0 H4' DG A 2 -6.993 0.613 -7.377 1.00 0.24 H new ATOM 0 H3' DG A 2 -5.721 2.717 -8.867 1.00 0.22 H new ATOM 0 H2' DG A 2 -3.879 2.990 -7.341 1.00 0.18 H new ATOM 0 H2'' DG A 2 -5.090 3.862 -6.423 1.00 0.18 H new ATOM 0 H1' DG A 2 -5.664 1.980 -5.109 1.00 0.20 H new ATOM 0 H8 DG A 2 -2.036 1.920 -6.416 1.00 0.18 H new ATOM 0 H1 DG A 2 -2.874 1.247 -0.105 1.00 0.16 H new ATOM 0 H21 DG A 2 -6.258 1.070 -0.895 1.00 0.18 H new ATOM 0 H22 DG A 2 -5.015 1.034 0.360 1.00 0.18 H new ATOM 64 P DT A 3 -7.551 4.533 -7.834 1.00 0.34 P ATOM 65 OP1 DT A 3 -9.021 4.675 -7.818 1.00 0.53 O ATOM 66 OP2 DT A 3 -6.785 4.922 -9.038 1.00 0.43 O ATOM 67 O5' DT A 3 -6.946 5.344 -6.573 1.00 0.29 O ATOM 68 C5' DT A 3 -7.104 4.850 -5.235 1.00 0.27 C ATOM 69 C4' DT A 3 -6.424 5.752 -4.198 1.00 0.24 C ATOM 70 O4' DT A 3 -5.186 6.265 -4.722 1.00 0.26 O ATOM 71 C3' DT A 3 -7.264 6.958 -3.770 1.00 0.24 C ATOM 72 O3' DT A 3 -7.055 7.208 -2.374 1.00 0.28 O ATOM 73 C2' DT A 3 -6.673 8.107 -4.584 1.00 0.29 C ATOM 74 C1' DT A 3 -5.210 7.700 -4.671 1.00 0.30 C ATOM 75 N1 DT A 3 -4.519 8.204 -5.877 1.00 0.37 N ATOM 76 C2 DT A 3 -3.463 9.079 -5.695 1.00 0.57 C ATOM 77 O2 DT A 3 -3.094 9.442 -4.582 1.00 0.70 O ATOM 78 N3 DT A 3 -2.845 9.532 -6.844 1.00 0.69 N ATOM 79 C4 DT A 3 -3.183 9.192 -8.140 1.00 0.65 C ATOM 80 O4 DT A 3 -2.561 9.660 -9.089 1.00 0.81 O ATOM 81 C5 DT A 3 -4.296 8.271 -8.236 1.00 0.50 C ATOM 82 C7 DT A 3 -4.776 7.809 -9.610 1.00 0.59 C ATOM 83 C6 DT A 3 -4.917 7.814 -7.129 1.00 0.36 C ATOM 0 H5' DT A 3 -6.686 3.845 -5.169 1.00 0.27 H new ATOM 0 H5'' DT A 3 -8.166 4.769 -5.003 1.00 0.27 H new ATOM 0 H4' DT A 3 -6.273 5.115 -3.327 1.00 0.24 H new ATOM 0 H3' DT A 3 -8.333 6.821 -3.929 1.00 0.24 H new ATOM 0 H2' DT A 3 -7.134 8.191 -5.568 1.00 0.29 H new ATOM 0 H2'' DT A 3 -6.802 9.069 -4.088 1.00 0.29 H new ATOM 0 H1' DT A 3 -4.692 8.124 -3.810 1.00 0.30 H new ATOM 0 H3 DT A 3 -2.065 10.179 -6.725 1.00 0.69 H new ATOM 0 H71 DT A 3 -4.589 8.593 -10.343 1.00 0.59 H new ATOM 0 H72 DT A 3 -4.238 6.906 -9.899 1.00 0.59 H new ATOM 0 H73 DT A 3 -5.844 7.597 -9.570 1.00 0.59 H new ATOM 0 H6 DT A 3 -5.744 7.127 -7.231 1.00 0.36 H new ATOM 96 P DT A 4 -7.516 6.143 -1.256 1.00 0.26 P ATOM 97 OP1 DT A 4 -8.928 5.781 -1.513 1.00 0.36 O ATOM 98 OP2 DT A 4 -7.121 6.671 0.068 1.00 0.35 O ATOM 99 O5' DT A 4 -6.597 4.861 -1.591 1.00 0.19 O ATOM 100 C5' DT A 4 -6.221 3.938 -0.564 1.00 0.20 C ATOM 101 C4' DT A 4 -4.799 4.183 -0.081 1.00 0.18 C ATOM 102 O4' DT A 4 -3.865 3.906 -1.129 1.00 0.19 O ATOM 103 C3' DT A 4 -4.559 5.624 0.364 1.00 0.15 C ATOM 104 O3' DT A 4 -4.220 5.628 1.757 1.00 0.17 O ATOM 105 C2' DT A 4 -3.365 6.080 -0.494 1.00 0.14 C ATOM 106 C1' DT A 4 -2.750 4.750 -0.904 1.00 0.16 C ATOM 107 N1 DT A 4 -1.947 4.808 -2.141 1.00 0.18 N ATOM 108 C2 DT A 4 -0.553 4.829 -2.040 1.00 0.19 C ATOM 109 O2 DT A 4 0.081 4.711 -0.966 1.00 0.21 O ATOM 110 N3 DT A 4 0.113 4.989 -3.230 1.00 0.21 N ATOM 111 C4 DT A 4 -0.435 5.126 -4.481 1.00 0.21 C ATOM 112 O4 DT A 4 0.288 5.291 -5.462 1.00 0.24 O ATOM 113 C5 DT A 4 -1.873 5.082 -4.497 1.00 0.20 C ATOM 114 C7 DT A 4 -2.610 5.230 -5.823 1.00 0.21 C ATOM 115 C6 DT A 4 -2.573 4.924 -3.356 1.00 0.18 C ATOM 0 H5' DT A 4 -6.307 2.919 -0.941 1.00 0.20 H new ATOM 0 H5'' DT A 4 -6.911 4.026 0.275 1.00 0.20 H new ATOM 0 H4' DT A 4 -4.659 3.520 0.773 1.00 0.18 H new ATOM 0 H3' DT A 4 -5.424 6.276 0.240 1.00 0.15 H new ATOM 0 H2' DT A 4 -3.682 6.667 -1.356 1.00 0.14 H new ATOM 0 H2'' DT A 4 -2.666 6.696 0.072 1.00 0.14 H new ATOM 0 H1' DT A 4 -2.061 4.412 -0.130 1.00 0.16 H new ATOM 0 H3 DT A 4 1.132 5.008 -3.179 1.00 0.21 H new ATOM 0 H71 DT A 4 -3.548 4.676 -5.782 1.00 0.21 H new ATOM 0 H72 DT A 4 -2.818 6.284 -6.008 1.00 0.21 H new ATOM 0 H73 DT A 4 -1.991 4.836 -6.629 1.00 0.21 H new ATOM 0 H6 DT A 4 -3.652 4.888 -3.399 1.00 0.18 H new ATOM 128 P DT A 5 -5.397 5.709 2.860 1.00 0.18 P ATOM 129 OP1 DT A 5 -6.614 5.074 2.302 1.00 0.22 O ATOM 130 OP2 DT A 5 -5.461 7.104 3.352 1.00 0.23 O ATOM 131 O5' DT A 5 -4.860 4.778 4.049 1.00 0.19 O ATOM 132 C5' DT A 5 -3.967 5.287 5.039 1.00 0.19 C ATOM 133 C4' DT A 5 -2.752 4.387 5.189 1.00 0.16 C ATOM 134 O4' DT A 5 -1.922 4.499 4.022 1.00 0.18 O ATOM 135 C3' DT A 5 -1.881 4.710 6.404 1.00 0.17 C ATOM 136 O3' DT A 5 -1.558 3.482 7.065 1.00 0.22 O ATOM 137 C2' DT A 5 -0.608 5.321 5.787 1.00 0.18 C ATOM 138 C1' DT A 5 -0.566 4.631 4.447 1.00 0.16 C ATOM 139 N1 DT A 5 0.181 5.384 3.425 1.00 0.17 N ATOM 140 C2 DT A 5 1.550 5.415 3.552 1.00 0.18 C ATOM 141 O2 DT A 5 2.135 4.842 4.463 1.00 0.22 O ATOM 142 N3 DT A 5 2.233 6.120 2.588 1.00 0.19 N ATOM 143 C4 DT A 5 1.682 6.785 1.521 1.00 0.20 C ATOM 144 O4 DT A 5 2.396 7.383 0.722 1.00 0.25 O ATOM 145 C5 DT A 5 0.243 6.698 1.458 1.00 0.18 C ATOM 146 C7 DT A 5 -0.479 7.331 0.278 1.00 0.20 C ATOM 147 C6 DT A 5 -0.456 6.020 2.400 1.00 0.16 C ATOM 0 H5' DT A 5 -4.485 5.367 5.995 1.00 0.19 H new ATOM 0 H5'' DT A 5 -3.648 6.292 4.764 1.00 0.19 H new ATOM 0 H4' DT A 5 -3.149 3.381 5.322 1.00 0.16 H new ATOM 0 H3' DT A 5 -2.356 5.373 7.127 1.00 0.17 H new ATOM 0 H2' DT A 5 -0.678 6.404 5.689 1.00 0.18 H new ATOM 0 H2'' DT A 5 0.279 5.112 6.385 1.00 0.18 H new ATOM 0 H1' DT A 5 -0.053 3.676 4.559 1.00 0.16 H new ATOM 0 H3 DT A 5 3.249 6.152 2.675 1.00 0.19 H new ATOM 0 H71 DT A 5 -1.394 6.776 0.071 1.00 0.20 H new ATOM 0 H72 DT A 5 -0.728 8.365 0.516 1.00 0.20 H new ATOM 0 H73 DT A 5 0.167 7.306 -0.600 1.00 0.20 H new ATOM 0 H6 DT A 5 -1.534 5.983 2.338 1.00 0.16 H new ATOM 160 P DG A 6 -2.544 2.863 8.181 1.00 0.25 P ATOM 161 OP1 DG A 6 -2.530 3.766 9.354 1.00 0.33 O ATOM 162 OP2 DG A 6 -2.204 1.435 8.347 1.00 0.31 O ATOM 163 O5' DG A 6 -3.995 2.946 7.482 1.00 0.22 O ATOM 164 C5' DG A 6 -5.168 3.257 8.247 1.00 0.27 C ATOM 165 C4' DG A 6 -6.358 2.377 7.855 1.00 0.23 C ATOM 166 O4' DG A 6 -6.494 2.365 6.428 1.00 0.22 O ATOM 167 C3' DG A 6 -6.247 0.921 8.316 1.00 0.22 C ATOM 168 O3' DG A 6 -7.530 0.442 8.790 1.00 0.22 O ATOM 169 C2' DG A 6 -5.842 0.159 7.045 1.00 0.24 C ATOM 170 C1' DG A 6 -6.457 1.015 5.948 1.00 0.21 C ATOM 171 N9 DG A 6 -5.703 1.024 4.684 1.00 0.21 N ATOM 172 C8 DG A 6 -6.177 1.083 3.404 1.00 0.23 C ATOM 173 N7 DG A 6 -5.267 1.154 2.481 1.00 0.22 N ATOM 174 C5 DG A 6 -4.080 1.137 3.211 1.00 0.20 C ATOM 175 C6 DG A 6 -2.743 1.190 2.763 1.00 0.20 C ATOM 176 O6 DG A 6 -2.338 1.286 1.616 1.00 0.23 O ATOM 177 N1 DG A 6 -1.845 1.142 3.815 1.00 0.19 N ATOM 178 C2 DG A 6 -2.184 1.057 5.141 1.00 0.20 C ATOM 179 N2 DG A 6 -1.174 1.015 6.011 1.00 0.23 N ATOM 180 N3 DG A 6 -3.440 1.010 5.572 1.00 0.20 N ATOM 181 C4 DG A 6 -4.336 1.054 4.557 1.00 0.20 C ATOM 0 H5' DG A 6 -5.429 4.305 8.101 1.00 0.27 H new ATOM 0 H5'' DG A 6 -4.954 3.126 9.308 1.00 0.27 H new ATOM 0 H4' DG A 6 -7.221 2.816 8.356 1.00 0.23 H new ATOM 0 H3' DG A 6 -5.538 0.794 9.134 1.00 0.22 H new ATOM 0 H2' DG A 6 -4.759 0.083 6.943 1.00 0.24 H new ATOM 0 H2'' DG A 6 -6.235 -0.858 7.037 1.00 0.24 H new ATOM 0 H1' DG A 6 -7.437 0.591 5.731 1.00 0.21 H new ATOM 0 H8 DG A 6 -7.233 1.071 3.176 1.00 0.23 H new ATOM 0 H1 DG A 6 -0.852 1.172 3.586 1.00 0.19 H new ATOM 0 H21 DG A 6 -1.365 0.952 7.011 1.00 0.23 H new ATOM 0 H22 DG A 6 -0.211 1.046 5.676 1.00 0.23 H new ATOM 193 P DG A 7 -8.944 0.831 8.092 1.00 0.23 P ATOM 194 OP1 DG A 7 -8.980 2.291 7.865 1.00 0.26 O ATOM 195 OP2 DG A 7 -10.026 0.190 8.873 1.00 0.31 O ATOM 196 O5' DG A 7 -8.866 0.105 6.664 1.00 0.24 O ATOM 197 C5' DG A 7 -8.930 -1.317 6.572 1.00 0.22 C ATOM 198 C4' DG A 7 -8.787 -1.780 5.130 1.00 0.19 C ATOM 199 O4' DG A 7 -7.543 -1.312 4.587 1.00 0.16 O ATOM 200 C3' DG A 7 -8.812 -3.304 4.964 1.00 0.19 C ATOM 201 O3' DG A 7 -9.832 -3.679 4.014 1.00 0.22 O ATOM 202 C2' DG A 7 -7.418 -3.639 4.409 1.00 0.18 C ATOM 203 C1' DG A 7 -7.024 -2.338 3.749 1.00 0.16 C ATOM 204 N9 DG A 7 -5.578 -2.169 3.642 1.00 0.16 N ATOM 205 C8 DG A 7 -4.653 -2.212 4.627 1.00 0.16 C ATOM 206 N7 DG A 7 -3.428 -2.092 4.241 1.00 0.16 N ATOM 207 C5 DG A 7 -3.544 -1.961 2.873 1.00 0.14 C ATOM 208 C6 DG A 7 -2.537 -1.803 1.909 1.00 0.15 C ATOM 209 O6 DG A 7 -1.328 -1.722 2.100 1.00 0.17 O ATOM 210 N1 DG A 7 -3.069 -1.717 0.635 1.00 0.15 N ATOM 211 C2 DG A 7 -4.410 -1.771 0.334 1.00 0.14 C ATOM 212 N2 DG A 7 -4.736 -1.713 -0.952 1.00 0.16 N ATOM 213 N3 DG A 7 -5.366 -1.914 1.248 1.00 0.15 N ATOM 214 C4 DG A 7 -4.861 -2.005 2.491 1.00 0.15 C ATOM 0 H5' DG A 7 -9.879 -1.668 6.977 1.00 0.22 H new ATOM 0 H5'' DG A 7 -8.140 -1.760 7.179 1.00 0.22 H new ATOM 0 H4' DG A 7 -9.648 -1.366 4.605 1.00 0.19 H new ATOM 0 H3' DG A 7 -9.033 -3.830 5.893 1.00 0.19 H new ATOM 0 H2' DG A 7 -6.722 -3.924 5.198 1.00 0.18 H new ATOM 0 H2'' DG A 7 -7.449 -4.465 3.698 1.00 0.18 H new ATOM 0 H1' DG A 7 -7.414 -2.312 2.731 1.00 0.16 H new ATOM 0 H8 DG A 7 -4.921 -2.338 5.666 1.00 0.16 H new ATOM 0 H1 DG A 7 -2.417 -1.605 -0.141 1.00 0.15 H new ATOM 0 H21 DG A 7 -5.716 -1.749 -1.232 1.00 0.16 H new ATOM 0 H22 DG A 7 -4.006 -1.632 -1.660 1.00 0.16 H new ATOM 226 P DT A 8 -9.975 -2.982 2.559 1.00 0.23 P ATOM 227 OP1 DT A 8 -9.765 -1.524 2.702 1.00 0.27 O ATOM 228 OP2 DT A 8 -11.220 -3.482 1.936 1.00 0.29 O ATOM 229 O5' DT A 8 -8.727 -3.588 1.746 1.00 0.22 O ATOM 230 C5' DT A 8 -8.619 -4.997 1.512 1.00 0.21 C ATOM 231 C4' DT A 8 -7.231 -5.373 0.988 1.00 0.18 C ATOM 232 O4' DT A 8 -6.245 -4.842 1.864 1.00 0.18 O ATOM 233 C3' DT A 8 -6.990 -6.882 0.904 1.00 0.19 C ATOM 234 O3' DT A 8 -6.936 -7.267 -0.477 1.00 0.23 O ATOM 235 C2' DT A 8 -5.606 -7.102 1.570 1.00 0.20 C ATOM 236 C1' DT A 8 -5.104 -5.679 1.805 1.00 0.18 C ATOM 237 N1 DT A 8 -4.346 -5.473 3.057 1.00 0.21 N ATOM 238 C2 DT A 8 -3.038 -5.051 2.934 1.00 0.24 C ATOM 239 O2 DT A 8 -2.551 -4.755 1.849 1.00 0.26 O ATOM 240 N3 DT A 8 -2.330 -4.911 4.107 1.00 0.30 N ATOM 241 C4 DT A 8 -2.812 -5.136 5.382 1.00 0.35 C ATOM 242 O4 DT A 8 -2.088 -4.973 6.362 1.00 0.43 O ATOM 243 C5 DT A 8 -4.195 -5.561 5.422 1.00 0.34 C ATOM 244 C7 DT A 8 -4.863 -5.830 6.768 1.00 0.45 C ATOM 245 C6 DT A 8 -4.906 -5.715 4.286 1.00 0.28 C ATOM 0 H5' DT A 8 -9.377 -5.307 0.793 1.00 0.21 H new ATOM 0 H5'' DT A 8 -8.818 -5.537 2.438 1.00 0.21 H new ATOM 0 H4' DT A 8 -7.169 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C2' DT A 9 -3.108 -11.060 -1.387 1.00 0.25 C ATOM 268 C1' DT A 9 -2.258 -9.959 -0.800 1.00 0.23 C ATOM 269 N1 DT A 9 -2.076 -10.018 0.665 1.00 0.23 N ATOM 270 C2 DT A 9 -0.810 -9.751 1.156 1.00 0.26 C ATOM 271 O2 DT A 9 0.136 -9.488 0.419 1.00 0.28 O ATOM 272 N3 DT A 9 -0.668 -9.798 2.527 1.00 0.30 N ATOM 273 C4 DT A 9 -1.662 -10.093 3.439 1.00 0.33 C ATOM 274 O4 DT A 9 -1.412 -10.133 4.644 1.00 0.40 O ATOM 275 C5 DT A 9 -2.953 -10.355 2.839 1.00 0.31 C ATOM 276 C7 DT A 9 -4.154 -10.657 3.730 1.00 0.37 C ATOM 277 C6 DT A 9 -3.119 -10.311 1.501 1.00 0.26 C ATOM 0 H5' DT A 9 -5.050 -7.426 -1.905 1.00 0.23 H new ATOM 0 H5'' DT A 9 -5.465 -8.379 -3.316 1.00 0.23 H new ATOM 0 H4' DT A 9 -3.151 -8.369 -3.204 1.00 0.23 H new ATOM 0 H3' DT A 9 -4.330 -10.877 -3.214 1.00 0.26 H new ATOM 0 H2' DT A 9 -3.994 -11.267 -0.787 1.00 0.25 H new ATOM 0 H2'' DT A 9 -2.563 -11.999 -1.485 1.00 0.25 H new ATOM 0 H1' DT A 9 -1.251 -10.041 -1.209 1.00 0.23 H new ATOM 0 H3 DT A 9 0.258 -9.596 2.903 1.00 0.30 H new ATOM 0 H71 DT A 9 -5.065 -10.313 3.241 1.00 0.37 H new ATOM 0 H72 DT A 9 -4.218 -11.731 3.902 1.00 0.37 H new ATOM 0 H73 DT A 9 -4.038 -10.143 4.684 1.00 0.37 H new ATOM 0 H6 DT A 9 -4.094 -10.511 1.081 1.00 0.26 H new ATOM 290 P DT A 10 -2.477 -10.289 -5.209 1.00 0.35 P ATOM 291 OP1 DT A 10 -3.873 -10.559 -5.614 1.00 0.50 O ATOM 292 OP2 DT A 10 -1.365 -10.967 -5.912 1.00 0.50 O ATOM 293 O5' DT A 10 -2.228 -8.697 -5.288 1.00 0.30 O ATOM 294 C5' DT A 10 -1.010 -8.168 -5.832 1.00 0.31 C ATOM 295 C4' DT A 10 -0.333 -7.214 -4.854 1.00 0.28 C ATOM 296 O4' DT A 10 -1.181 -6.087 -4.638 1.00 0.29 O ATOM 297 C3' DT A 10 -0.042 -7.849 -3.494 1.00 0.29 C ATOM 298 O3' DT A 10 1.380 -7.935 -3.284 1.00 0.35 O ATOM 299 C2' DT A 10 -0.685 -6.917 -2.466 1.00 0.25 C ATOM 300 C1' DT A 10 -1.130 -5.702 -3.267 1.00 0.24 C ATOM 301 N1 DT A 10 -2.486 -5.224 -2.892 1.00 0.22 N ATOM 302 C2 DT A 10 -2.656 -4.761 -1.602 1.00 0.22 C ATOM 303 O2 DT A 10 -1.718 -4.641 -0.820 1.00 0.28 O ATOM 304 N3 DT A 10 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-3.239 1.00 0.34 P ATOM 323 OP1 DT A 11 1.838 -5.645 -4.231 1.00 0.36 O ATOM 324 OP2 DT A 11 3.735 -7.082 -3.297 1.00 0.48 O ATOM 325 O5' DT A 11 2.058 -6.026 -1.768 1.00 0.30 O ATOM 326 C5' DT A 11 2.387 -4.665 -1.478 1.00 0.29 C ATOM 327 C4' DT A 11 3.369 -4.549 -0.308 1.00 0.31 C ATOM 328 O4' DT A 11 2.647 -4.487 0.926 1.00 0.32 O ATOM 329 C3' DT A 11 4.347 -5.708 -0.184 1.00 0.34 C ATOM 330 O3' DT A 11 5.554 -5.236 0.427 1.00 0.41 O ATOM 331 C2' DT A 11 3.626 -6.658 0.759 1.00 0.34 C ATOM 332 C1' DT A 11 2.881 -5.690 1.673 1.00 0.32 C ATOM 333 N1 DT A 11 1.572 -6.179 2.131 1.00 0.29 N ATOM 334 C2 DT A 11 1.418 -6.426 3.482 1.00 0.31 C ATOM 335 O2 DT A 11 2.322 -6.243 4.292 1.00 0.39 O ATOM 336 N3 DT A 11 0.178 -6.878 3.876 1.00 0.29 N ATOM 337 C4 DT A 11 -0.905 -7.100 3.050 1.00 0.26 C ATOM 338 O4 DT A 11 -1.971 -7.497 3.516 1.00 0.28 O ATOM 339 C5 DT A 11 -0.649 -6.814 1.656 1.00 0.24 C ATOM 340 C7 DT A 11 -1.753 -7.007 0.626 1.00 0.23 C ATOM 341 C6 DT A 11 0.552 -6.374 1.248 1.00 0.26 C ATOM 0 H5' DT A 11 1.476 -4.114 -1.243 1.00 0.29 H new ATOM 0 H5'' DT A 11 2.821 -4.200 -2.363 1.00 0.29 H new ATOM 0 H4' DT A 11 3.942 -3.645 -0.513 1.00 0.31 H new ATOM 0 H3' DT A 11 4.617 -6.167 -1.135 1.00 0.34 H new ATOM 0 H2' DT A 11 2.946 -7.323 0.227 1.00 0.34 H new ATOM 0 H2'' DT A 11 4.321 -7.289 1.313 1.00 0.34 H new ATOM 0 H1' DT A 11 3.500 -5.549 2.559 1.00 0.32 H new ATOM 0 H3 DT A 11 0.048 -7.066 4.870 1.00 0.29 H new ATOM 0 H71 DT A 11 -2.418 -7.807 0.951 1.00 0.23 H new ATOM 0 H72 DT A 11 -2.320 -6.082 0.523 1.00 0.23 H new ATOM 0 H73 DT A 11 -1.312 -7.271 -0.335 1.00 0.23 H new ATOM 0 H6 DT A 11 0.713 -6.171 0.200 1.00 0.26 H new ATOM 354 P DG A 12 6.869 -6.163 0.509 1.00 0.45 P ATOM 355 OP1 DG A 12 6.670 -7.336 -0.370 1.00 0.56 O ATOM 356 OP2 DG A 12 7.210 -6.361 1.936 1.00 0.60 O ATOM 357 O5' DG A 12 7.997 -5.223 -0.157 1.00 0.39 O ATOM 358 C5' DG A 12 8.238 -3.898 0.336 1.00 0.37 C ATOM 359 C4' DG A 12 8.581 -2.936 -0.800 1.00 0.24 C ATOM 360 O4' DG A 12 7.445 -2.803 -1.662 1.00 0.29 O ATOM 361 C3' DG A 12 8.985 -1.537 -0.333 1.00 0.23 C ATOM 362 O3' DG A 12 10.178 -1.104 -1.026 1.00 0.28 O ATOM 363 C2' DG A 12 7.799 -0.634 -0.714 1.00 0.21 C ATOM 364 C1' DG A 12 7.086 -1.424 -1.807 1.00 0.21 C ATOM 365 N9 DG A 12 5.609 -1.361 -1.755 1.00 0.18 N ATOM 366 C8 DG A 12 4.718 -1.326 -2.791 1.00 0.20 C ATOM 367 N7 DG A 12 3.468 -1.345 -2.450 1.00 0.20 N ATOM 368 C5 DG A 12 3.520 -1.397 -1.060 1.00 0.18 C ATOM 369 C6 DG A 12 2.462 -1.445 -0.118 1.00 0.19 C ATOM 370 O6 DG A 12 1.255 -1.454 -0.342 1.00 0.22 O ATOM 371 N1 DG A 12 2.937 -1.495 1.186 1.00 0.17 N ATOM 372 C2 DG A 12 4.273 -1.494 1.539 1.00 0.16 C ATOM 373 N2 DG A 12 4.547 -1.521 2.841 1.00 0.17 N ATOM 374 N3 DG A 12 5.269 -1.451 0.655 1.00 0.16 N ATOM 375 C4 DG A 12 4.824 -1.405 -0.622 1.00 0.16 C ATOM 0 H5' DG A 12 9.056 -3.919 1.057 1.00 0.37 H new ATOM 0 H5'' DG A 12 7.356 -3.539 0.865 1.00 0.37 H new ATOM 0 H4' DG A 12 9.442 -3.368 -1.311 1.00 0.24 H new ATOM 0 H3' DG A 12 9.202 -1.508 0.735 1.00 0.23 H new ATOM 0 H2' DG A 12 7.146 -0.449 0.139 1.00 0.21 H new ATOM 0 H2'' DG A 12 8.135 0.338 -1.075 1.00 0.21 H new ATOM 0 H1' DG A 12 7.397 -0.978 -2.752 1.00 0.21 H new ATOM 0 H8 DG A 12 5.034 -1.285 -3.823 1.00 0.20 H new ATOM 0 H1 DG A 12 2.249 -1.535 1.938 1.00 0.17 H new ATOM 0 H21 DG A 12 5.516 -1.522 3.158 1.00 0.17 H new ATOM 0 H22 DG A 12 3.788 -1.541 3.522 1.00 0.17 H new ATOM 387 P DG A 13 10.419 -1.331 -2.613 1.00 0.33 P ATOM 388 OP1 DG A 13 10.141 -2.747 -2.939 1.00 0.47 O ATOM 389 OP2 DG A 13 11.733 -0.745 -2.962 1.00 0.54 O ATOM 390 O5' DG A 13 9.284 -0.422 -3.295 1.00 0.34 O ATOM 391 C5' DG A 13 9.123 -0.394 -4.716 1.00 0.32 C ATOM 392 C4' DG A 13 8.329 0.830 -5.148 1.00 0.28 C ATOM 393 O4' DG A 13 7.082 0.836 -4.457 1.00 0.29 O ATOM 394 C3' DG A 13 9.036 2.151 -4.845 1.00 0.28 C ATOM 395 O3' DG A 13 9.271 2.848 -6.076 1.00 0.36 O ATOM 396 C2' DG A 13 8.035 2.953 -3.985 1.00 0.30 C ATOM 397 C1' DG A 13 6.734 2.176 -4.137 1.00 0.24 C ATOM 398 N9 DG A 13 5.909 2.127 -2.915 1.00 0.20 N ATOM 399 C8 DG A 13 6.298 2.111 -1.606 1.00 0.21 C ATOM 400 N7 DG A 13 5.329 2.027 -0.744 1.00 0.21 N ATOM 401 C5 DG A 13 4.192 1.985 -1.550 1.00 0.18 C ATOM 402 C6 DG A 13 2.822 1.893 -1.186 1.00 0.19 C ATOM 403 O6 DG A 13 2.346 1.831 -0.054 1.00 0.22 O ATOM 404 N1 DG A 13 1.995 1.882 -2.308 1.00 0.18 N ATOM 405 C2 DG A 13 2.442 1.948 -3.613 1.00 0.18 C ATOM 406 N2 DG A 13 1.519 1.938 -4.568 1.00 0.20 N ATOM 407 N3 DG A 13 3.727 2.032 -3.952 1.00 0.19 N ATOM 408 C4 DG A 13 4.541 2.046 -2.878 1.00 0.18 C ATOM 0 H5' DG A 13 8.613 -1.299 -5.046 1.00 0.32 H new ATOM 0 H5'' DG A 13 10.101 -0.386 -5.197 1.00 0.32 H new ATOM 0 H4' DG A 13 8.206 0.759 -6.229 1.00 0.28 H new ATOM 0 H3' DG A 13 9.992 2.008 -4.341 1.00 0.28 H new ATOM 0 H2' DG A 13 8.352 3.005 -2.943 1.00 0.30 H new ATOM 0 H2'' DG A 13 7.934 3.979 -4.339 1.00 0.30 H new ATOM 0 H1' DG A 13 6.146 2.683 -4.902 1.00 0.24 H new ATOM 0 H8 DG A 13 7.335 2.164 -1.309 1.00 0.21 H new ATOM 0 H1 DG A 13 0.988 1.821 -2.154 1.00 0.18 H new ATOM 0 H21 DG A 13 1.798 1.985 -5.548 1.00 0.20 H new ATOM 0 H22 DG A 13 0.531 1.883 -4.321 1.00 0.20 H new ATOM 420 P DT A 14 10.647 3.656 -6.307 1.00 0.41 P ATOM 421 OP1 DT A 14 10.598 4.266 -7.655 1.00 0.58 O ATOM 422 OP2 DT A 14 11.772 2.770 -5.936 1.00 0.59 O ATOM 423 O5' DT A 14 10.549 4.838 -5.215 1.00 0.64 O ATOM 424 C5' DT A 14 11.722 5.528 -4.761 1.00 0.43 C ATOM 425 C4' DT A 14 11.385 6.522 -3.649 1.00 0.33 C ATOM 426 O4' DT A 14 10.478 7.510 -4.148 1.00 0.48 O ATOM 427 C3' DT A 14 10.740 5.891 -2.435 1.00 0.33 C ATOM 428 O3' DT A 14 11.093 6.640 -1.268 1.00 0.38 O ATOM 429 C2' DT A 14 9.270 6.042 -2.735 1.00 0.32 C ATOM 430 C1' DT A 14 9.229 7.377 -3.469 1.00 0.40 C ATOM 431 N1 DT A 14 8.160 7.500 -4.482 1.00 0.44 N ATOM 432 C2 DT A 14 7.175 8.449 -4.262 1.00 0.46 C ATOM 433 O2 DT A 14 7.159 9.159 -3.259 1.00 0.50 O ATOM 434 N3 DT A 14 6.202 8.552 -5.234 1.00 0.54 N ATOM 435 C4 DT A 14 6.124 7.802 -6.392 1.00 0.63 C ATOM 436 O4 DT A 14 5.209 7.985 -7.193 1.00 0.75 O ATOM 437 C5 DT A 14 7.192 6.836 -6.541 1.00 0.63 C ATOM 438 C7 DT A 14 7.229 5.937 -7.776 1.00 0.81 C ATOM 439 C6 DT A 14 8.156 6.716 -5.605 1.00 0.53 C ATOM 0 H5' DT A 14 12.183 6.056 -5.596 1.00 0.43 H new ATOM 0 H5'' DT A 14 12.453 4.806 -4.397 1.00 0.43 H new ATOM 0 H4' DT A 14 12.338 6.950 -3.339 1.00 0.33 H new ATOM 0 H3' DT A 14 11.039 4.859 -2.251 1.00 0.33 H new ATOM 0 H2' DT A 14 8.894 5.226 -3.352 1.00 0.32 H new ATOM 0 H2'' DT A 14 8.668 6.058 -1.826 1.00 0.32 H new ATOM 0 H1' DT A 14 9.033 8.146 -2.722 1.00 0.40 H new ATOM 0 H3 DT A 14 5.471 9.247 -5.084 1.00 0.54 H new ATOM 0 H71 DT A 14 8.263 5.688 -8.014 1.00 0.81 H new ATOM 0 H72 DT A 14 6.672 5.021 -7.576 1.00 0.81 H new ATOM 0 H73 DT A 14 6.778 6.459 -8.620 1.00 0.81 H new ATOM 0 H6 DT A 14 8.941 5.987 -5.744 1.00 0.53 H new ATOM 452 P DT A 15 10.678 6.122 0.195 1.00 0.41 P ATOM 453 OP1 DT A 15 11.635 6.684 1.173 1.00 0.58 O ATOM 454 OP2 DT A 15 10.467 4.659 0.131 1.00 0.52 O ATOM 455 O5' DT A 15 9.250 6.833 0.421 1.00 0.31 O ATOM 456 C5' DT A 15 8.880 7.329 1.712 1.00 0.33 C ATOM 457 C4' DT A 15 7.996 6.338 2.464 1.00 0.27 C ATOM 458 O4' DT A 15 6.677 6.337 1.894 1.00 0.26 O ATOM 459 C3' DT A 15 8.502 4.893 2.424 1.00 0.25 C ATOM 460 O3' DT A 15 8.264 4.288 3.697 1.00 0.30 O ATOM 461 C2' DT A 15 7.623 4.249 1.362 1.00 0.23 C ATOM 462 C1' DT A 15 6.317 4.989 1.588 1.00 0.22 C ATOM 463 N1 DT A 15 5.399 5.026 0.431 1.00 0.20 N ATOM 464 C2 DT A 15 4.058 4.755 0.678 1.00 0.18 C ATOM 465 O2 DT A 15 3.665 4.370 1.775 1.00 0.19 O ATOM 466 N3 DT A 15 3.198 4.879 -0.402 1.00 0.17 N ATOM 467 C4 DT A 15 3.583 5.228 -1.682 1.00 0.20 C ATOM 468 O4 DT A 15 2.772 5.319 -2.571 1.00 0.25 O ATOM 469 C5 DT A 15 4.986 5.475 -1.850 1.00 0.24 C ATOM 470 C7 DT A 15 5.489 5.851 -3.235 1.00 0.30 C ATOM 471 C6 DT A 15 5.844 5.376 -0.820 1.00 0.23 C ATOM 0 H5' DT A 15 8.352 8.276 1.601 1.00 0.33 H new ATOM 0 H5'' DT A 15 9.778 7.531 2.295 1.00 0.33 H new ATOM 0 H4' DT A 15 8.005 6.672 3.501 1.00 0.27 H new ATOM 0 H3' DT A 15 9.566 4.797 2.207 1.00 0.25 H new ATOM 0 H2' DT A 15 8.014 4.398 0.356 1.00 0.23 H new ATOM 0 H2'' DT A 15 7.519 3.174 1.507 1.00 0.23 H new ATOM 0 H1' DT A 15 5.779 4.461 2.375 1.00 0.22 H new ATOM 0 H3 DT A 15 2.207 4.699 -0.240 1.00 0.17 H new ATOM 0 H71 DT A 15 4.854 5.388 -3.991 1.00 0.30 H new ATOM 0 H72 DT A 15 5.460 6.934 -3.351 1.00 0.30 H new ATOM 0 H73 DT A 15 6.514 5.500 -3.358 1.00 0.30 H new ATOM 0 H6 DT A 15 6.894 5.574 -0.978 1.00 0.23 H new ATOM 484 P DG A 16 8.728 2.783 4.016 1.00 0.33 P ATOM 485 OP1 DG A 16 10.177 2.675 3.749 1.00 0.41 O ATOM 486 OP2 DG A 16 7.781 1.857 3.358 1.00 0.46 O ATOM 487 O5' DG A 16 8.498 2.711 5.604 1.00 0.49 O ATOM 488 C5' DG A 16 7.303 3.250 6.174 1.00 0.49 C ATOM 489 C4' DG A 16 6.918 2.530 7.458 1.00 0.30 C ATOM 490 O4' DG A 16 5.498 2.591 7.616 1.00 0.35 O ATOM 491 C3' DG A 16 7.301 1.057 7.472 1.00 0.29 C ATOM 492 O3' DG A 16 7.538 0.644 8.824 1.00 0.36 O ATOM 493 C2' DG A 16 6.058 0.389 6.923 1.00 0.25 C ATOM 494 C1' DG A 16 4.963 1.270 7.503 1.00 0.26 C ATOM 495 N9 DG A 16 3.746 1.351 6.679 1.00 0.22 N ATOM 496 C8 DG A 16 2.448 1.306 7.080 1.00 0.24 C ATOM 497 N7 DG A 16 1.573 1.390 6.125 1.00 0.23 N ATOM 498 C5 DG A 16 2.360 1.502 4.980 1.00 0.19 C ATOM 499 C6 DG A 16 1.974 1.628 3.619 1.00 0.20 C ATOM 500 O6 DG A 16 0.843 1.639 3.152 1.00 0.23 O ATOM 501 N1 DG A 16 3.074 1.718 2.779 1.00 0.19 N ATOM 502 C2 DG A 16 4.392 1.681 3.198 1.00 0.19 C ATOM 503 N2 DG A 16 5.327 1.755 2.254 1.00 0.21 N ATOM 504 N3 DG A 16 4.755 1.563 4.476 1.00 0.20 N ATOM 505 C4 DG A 16 3.693 1.479 5.310 1.00 0.19 C ATOM 0 H5' DG A 16 6.488 3.171 5.454 1.00 0.49 H new ATOM 0 H5'' DG A 16 7.444 4.311 6.380 1.00 0.49 H new ATOM 0 H4' DG A 16 7.459 3.031 8.261 1.00 0.30 H new ATOM 0 H3' DG A 16 8.201 0.820 6.905 1.00 0.29 H new ATOM 0 H2' DG A 16 6.044 0.380 5.833 1.00 0.25 H new ATOM 0 H2'' DG A 16 5.969 -0.647 7.251 1.00 0.25 H new ATOM 0 H1' DG A 16 4.668 0.829 8.455 1.00 0.26 H new ATOM 0 H8 DG A 16 2.165 1.208 8.118 1.00 0.24 H new ATOM 0 H1 DG A 16 2.898 1.819 1.779 1.00 0.19 H new ATOM 0 H21 DG A 16 6.314 1.732 2.511 1.00 0.21 H new ATOM 0 H22 DG A 16 5.057 1.835 1.274 1.00 0.21 H new ATOM 517 P DG A 17 7.601 -0.915 9.219 1.00 0.45 P ATOM 518 OP1 DG A 17 8.320 -1.035 10.507 1.00 0.61 O ATOM 519 OP2 DG A 17 8.069 -1.679 8.042 1.00 0.54 O ATOM 520 O5' DG A 17 6.052 -1.274 9.474 1.00 0.36 O ATOM 521 C5' DG A 17 5.349 -0.709 10.585 1.00 0.33 C ATOM 522 C4' DG A 17 3.922 -1.237 10.664 1.00 0.28 C ATOM 523 O4' DG A 17 3.217 -0.876 9.466 1.00 0.26 O ATOM 524 C3' DG A 17 3.837 -2.761 10.807 1.00 0.29 C ATOM 525 O3' DG A 17 2.862 -3.138 11.789 1.00 0.38 O ATOM 526 C2' DG A 17 3.425 -3.216 9.417 1.00 0.26 C ATOM 527 C1' DG A 17 2.589 -2.043 8.944 1.00 0.22 C ATOM 528 N9 DG A 17 2.504 -1.911 7.478 1.00 0.21 N ATOM 529 C8 DG A 17 3.504 -1.817 6.557 1.00 0.23 C ATOM 530 N7 DG A 17 3.109 -1.745 5.320 1.00 0.22 N ATOM 531 C5 DG A 17 1.721 -1.796 5.428 1.00 0.20 C ATOM 532 C6 DG A 17 0.726 -1.762 4.414 1.00 0.19 C ATOM 533 O6 DG A 17 0.890 -1.685 3.200 1.00 0.19 O ATOM 534 N1 DG A 17 -0.558 -1.839 4.957 1.00 0.18 N ATOM 535 C2 DG A 17 -0.830 -1.933 6.315 1.00 0.19 C ATOM 536 N2 DG A 17 -2.106 -1.983 6.675 1.00 0.20 N ATOM 537 N3 DG A 17 0.108 -1.967 7.256 1.00 0.19 N ATOM 538 C4 DG A 17 1.349 -1.896 6.747 1.00 0.20 C ATOM 0 H5' DG A 17 5.333 0.377 10.493 1.00 0.33 H new ATOM 0 H5'' DG A 17 5.877 -0.943 11.509 1.00 0.33 H new ATOM 0 H4' DG A 17 3.483 -0.791 11.556 1.00 0.28 H new ATOM 0 H3' DG A 17 4.771 -3.211 11.144 1.00 0.29 H new ATOM 0 H2' DG A 17 4.286 -3.391 8.772 1.00 0.26 H new ATOM 0 H2'' DG A 17 2.852 -4.143 9.443 1.00 0.26 H new ATOM 0 HO3' DG A 17 2.828 -4.115 11.858 1.00 0.38 H new ATOM 0 H1' DG A 17 1.566 -2.191 9.290 1.00 0.22 H new ATOM 0 H8 DG A 17 4.548 -1.803 6.834 1.00 0.23 H new ATOM 0 H1 DG A 17 -1.349 -1.825 4.313 1.00 0.18 H new ATOM 0 H21 DG A 17 -2.355 -2.052 7.662 1.00 0.20 H new ATOM 0 H22 DG A 17 -2.838 -1.952 5.965 1.00 0.20 H new TER 550 DG A 17