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= -0.01 USER MOD Single : A 5 DT C7 :methyl -30:sc= 0 (180deg=-0.102) USER MOD Single : A 6 DT C7 :methyl -30:sc= 0 (180deg=-0.342) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.0944 (180deg=-0.0944) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DC O3' : rot -92:sc= 1.23 USER MOD Single : B 1 DG O5' : rot 180:sc= -0.0115 USER MOD Single : B 5 DT C7 :methyl -30:sc= 0 (180deg=-0.11) USER MOD Single : B 6 DT C7 :methyl -30:sc= 0 (180deg=-0.385) USER MOD Single : B 7 DT C7 :methyl 150:sc= -0.119 (180deg=-0.119) USER MOD Single : B 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 12 DC O3' : rot -106:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.285 5.945 8.732 1.00 1.06 O ATOM 2 C5' DG A 1 -0.081 6.282 8.943 1.00 0.95 C ATOM 3 C4' DG A 1 -1.063 5.514 8.034 1.00 0.72 C ATOM 4 O4' DG A 1 -0.890 5.870 6.658 1.00 0.75 O ATOM 5 C3' DG A 1 -0.951 4.022 8.003 1.00 0.54 C ATOM 6 O3' DG A 1 -1.463 3.192 9.090 1.00 0.59 O ATOM 7 C2' DG A 1 -1.593 3.663 6.643 1.00 0.52 C ATOM 8 C1' DG A 1 -1.824 5.028 5.966 1.00 0.62 C ATOM 9 N9 DG A 1 -1.372 4.977 4.573 1.00 0.57 N ATOM 10 C8 DG A 1 -0.087 4.983 4.099 1.00 0.62 C ATOM 11 N7 DG A 1 0.006 4.896 2.797 1.00 0.63 N ATOM 12 C5 DG A 1 -1.330 4.830 2.405 1.00 0.55 C ATOM 13 C6 DG A 1 -1.883 4.730 1.123 1.00 0.54 C ATOM 14 O6 DG A 1 -1.289 4.673 0.071 1.00 0.62 O ATOM 15 N1 DG A 1 -3.253 4.694 1.131 1.00 0.53 N ATOM 16 C2 DG A 1 -4.023 4.749 2.255 1.00 0.56 C ATOM 17 N2 DG A 1 -5.322 4.707 2.097 1.00 0.67 N ATOM 18 N3 DG A 1 -3.523 4.844 3.473 1.00 0.56 N ATOM 19 C4 DG A 1 -2.172 4.881 3.478 1.00 0.53 C ATOM 0 H5' DG A 1 -0.210 7.352 8.779 1.00 0.95 H new ATOM 0 H5'' DG A 1 -0.337 6.086 9.984 1.00 0.95 H new ATOM 0 H4' DG A 1 -2.014 5.800 8.483 1.00 0.72 H new ATOM 0 H3' DG A 1 0.101 3.776 8.146 1.00 0.54 H new ATOM 0 H2' DG A 1 -0.937 3.028 6.047 1.00 0.52 H new ATOM 0 H2'' DG A 1 -2.529 3.120 6.775 1.00 0.52 H new ATOM 0 HO5' DG A 1 1.849 6.469 9.339 1.00 1.06 H new ATOM 0 H1' DG A 1 -2.867 5.342 5.993 1.00 0.62 H new ATOM 0 H8 DG A 1 0.776 5.054 4.745 1.00 0.62 H new ATOM 0 H1 DG A 1 -3.730 4.621 0.233 1.00 0.53 H new ATOM 0 H21 DG A 1 -5.936 4.745 2.910 1.00 0.67 H new ATOM 0 H22 DG A 1 -5.720 4.636 1.160 1.00 0.67 H new ATOM 32 P DG A 2 -3.010 3.218 9.599 1.00 0.96 P ATOM 33 OP1 DG A 2 -3.191 4.298 10.593 1.00 1.67 O ATOM 34 OP2 DG A 2 -3.393 1.830 9.924 1.00 1.47 O ATOM 35 O5' DG A 2 -3.696 3.652 8.231 1.00 0.63 O ATOM 36 C5' DG A 2 -5.063 3.973 8.030 1.00 0.67 C ATOM 37 C4' DG A 2 -5.644 3.068 6.976 1.00 0.63 C ATOM 38 O4' DG A 2 -5.016 3.133 5.691 1.00 0.58 O ATOM 39 C3' DG A 2 -5.603 1.586 7.311 1.00 0.62 C ATOM 40 O3' DG A 2 -6.967 1.246 7.585 1.00 0.78 O ATOM 41 C2' DG A 2 -5.042 0.932 6.067 1.00 0.66 C ATOM 42 C1' DG A 2 -5.500 1.943 5.047 1.00 0.59 C ATOM 43 N9 DG A 2 -4.895 1.764 3.722 1.00 0.54 N ATOM 44 C8 DG A 2 -5.520 1.666 2.521 1.00 0.59 C ATOM 45 N7 DG A 2 -4.706 1.534 1.520 1.00 0.57 N ATOM 46 C5 DG A 2 -3.448 1.540 2.095 1.00 0.50 C ATOM 47 C6 DG A 2 -2.168 1.430 1.498 1.00 0.49 C ATOM 48 O6 DG A 2 -1.899 1.305 0.312 1.00 0.55 O ATOM 49 N1 DG A 2 -1.170 1.485 2.441 1.00 0.46 N ATOM 50 C2 DG A 2 -1.383 1.624 3.777 1.00 0.44 C ATOM 51 N2 DG A 2 -0.313 1.630 4.526 1.00 0.48 N ATOM 52 N3 DG A 2 -2.567 1.729 4.347 1.00 0.45 N ATOM 53 C4 DG A 2 -3.558 1.680 3.446 1.00 0.48 C ATOM 0 H5' DG A 2 -5.161 5.015 7.724 1.00 0.67 H new ATOM 0 H5'' DG A 2 -5.614 3.862 8.964 1.00 0.67 H new ATOM 0 H4' DG A 2 -6.661 3.460 6.949 1.00 0.63 H new ATOM 0 H3' DG A 2 -4.994 1.281 8.162 1.00 0.62 H new ATOM 0 H2' DG A 2 -3.958 0.826 6.099 1.00 0.66 H new ATOM 0 H2'' DG A 2 -5.454 -0.062 5.890 1.00 0.66 H new ATOM 0 H1' DG A 2 -6.566 1.907 4.822 1.00 0.59 H new ATOM 0 H8 DG A 2 -6.594 1.695 2.410 1.00 0.59 H new ATOM 0 H1 DG A 2 -0.205 1.417 2.117 1.00 0.46 H new ATOM 0 H21 DG A 2 -0.399 1.731 5.537 1.00 0.48 H new ATOM 0 H22 DG A 2 0.609 1.534 4.099 1.00 0.48 H new ATOM 65 P DG A 3 -7.677 -0.185 7.550 1.00 1.70 P ATOM 66 OP1 DG A 3 -9.105 0.092 7.786 1.00 2.52 O ATOM 67 OP2 DG A 3 -6.929 -1.123 8.406 1.00 2.49 O ATOM 68 O5' DG A 3 -7.554 -0.684 6.024 1.00 1.35 O ATOM 69 C5' DG A 3 -8.563 -0.356 5.013 1.00 1.26 C ATOM 70 C4' DG A 3 -8.425 -1.030 3.640 1.00 0.98 C ATOM 71 O4' DG A 3 -7.158 -0.646 3.074 1.00 0.86 O ATOM 72 C3' DG A 3 -8.562 -2.545 3.390 1.00 0.82 C ATOM 73 O3' DG A 3 -9.094 -2.894 2.088 1.00 0.89 O ATOM 74 C2' DG A 3 -7.115 -2.910 3.294 1.00 0.71 C ATOM 75 C1' DG A 3 -6.673 -1.781 2.379 1.00 0.71 C ATOM 76 N9 DG A 3 -5.227 -1.743 2.221 1.00 0.61 N ATOM 77 C8 DG A 3 -4.259 -1.745 3.187 1.00 0.59 C ATOM 78 N7 DG A 3 -3.059 -1.725 2.698 1.00 0.52 N ATOM 79 C5 DG A 3 -3.241 -1.712 1.328 1.00 0.49 C ATOM 80 C6 DG A 3 -2.287 -1.690 0.293 1.00 0.46 C ATOM 81 O6 DG A 3 -1.069 -1.692 0.415 1.00 0.43 O ATOM 82 N1 DG A 3 -2.884 -1.683 -0.953 1.00 0.50 N ATOM 83 C2 DG A 3 -4.240 -1.694 -1.171 1.00 0.54 C ATOM 84 N2 DG A 3 -4.681 -1.696 -2.410 1.00 0.61 N ATOM 85 N3 DG A 3 -5.137 -1.712 -0.192 1.00 0.57 N ATOM 86 C4 DG A 3 -4.566 -1.721 1.027 1.00 0.55 C ATOM 0 H5' DG A 3 -8.552 0.723 4.862 1.00 1.26 H new ATOM 0 H5'' DG A 3 -9.542 -0.611 5.418 1.00 1.26 H new ATOM 0 H4' DG A 3 -9.350 -0.665 3.193 1.00 0.98 H new ATOM 0 H3' DG A 3 -9.205 -3.010 4.137 1.00 0.82 H new ATOM 0 H2' DG A 3 -6.608 -2.899 4.259 1.00 0.71 H new ATOM 0 H2'' DG A 3 -6.953 -3.897 2.861 1.00 0.71 H new ATOM 0 H1' DG A 3 -7.046 -1.868 1.359 1.00 0.71 H new ATOM 0 H8 DG A 3 -4.472 -1.762 4.246 1.00 0.59 H new ATOM 0 H1 DG A 3 -2.274 -1.669 -1.770 1.00 0.50 H new ATOM 0 H21 DG A 3 -5.684 -1.704 -2.594 1.00 0.61 H new ATOM 0 H22 DG A 3 -4.020 -1.689 -3.187 1.00 0.61 H new ATOM 98 P DC A 4 -10.459 -3.693 1.749 1.00 1.00 P ATOM 99 OP1 DC A 4 -11.584 -2.887 2.264 1.00 1.63 O ATOM 100 OP2 DC A 4 -10.291 -5.099 2.169 1.00 1.45 O ATOM 101 O5' DC A 4 -10.460 -3.613 0.124 1.00 0.82 O ATOM 102 C5' DC A 4 -9.297 -3.146 -0.605 1.00 0.73 C ATOM 103 C4' DC A 4 -8.594 -4.243 -1.393 1.00 0.62 C ATOM 104 O4' DC A 4 -7.256 -3.742 -1.625 1.00 0.63 O ATOM 105 C3' DC A 4 -8.262 -5.573 -0.693 1.00 0.62 C ATOM 106 O3' DC A 4 -9.257 -6.616 -0.544 1.00 0.73 O ATOM 107 C2' DC A 4 -7.193 -6.090 -1.644 1.00 0.62 C ATOM 108 C1' DC A 4 -6.402 -4.836 -2.002 1.00 0.63 C ATOM 109 N1 DC A 4 -5.037 -4.817 -1.425 1.00 0.59 N ATOM 110 C2 DC A 4 -3.987 -4.747 -2.326 1.00 0.57 C ATOM 111 O2 DC A 4 -4.179 -4.704 -3.536 1.00 0.62 O ATOM 112 N3 DC A 4 -2.731 -4.737 -1.844 1.00 0.55 N ATOM 113 C4 DC A 4 -2.496 -4.792 -0.535 1.00 0.55 C ATOM 114 N4 DC A 4 -1.215 -4.794 -0.236 1.00 0.54 N ATOM 115 C5 DC A 4 -3.559 -4.863 0.424 1.00 0.60 C ATOM 116 C6 DC A 4 -4.810 -4.873 -0.078 1.00 0.62 C ATOM 0 H5' DC A 4 -8.590 -2.705 0.098 1.00 0.73 H new ATOM 0 H5'' DC A 4 -9.601 -2.355 -1.290 1.00 0.73 H new ATOM 0 H4' DC A 4 -9.280 -4.448 -2.215 1.00 0.62 H new ATOM 0 H3' DC A 4 -8.048 -5.363 0.355 1.00 0.62 H new ATOM 0 H2' DC A 4 -6.562 -6.841 -1.169 1.00 0.62 H new ATOM 0 H2'' DC A 4 -7.631 -6.554 -2.527 1.00 0.62 H new ATOM 0 H1' DC A 4 -6.172 -4.778 -3.066 1.00 0.63 H new ATOM 0 H41 DC A 4 -0.919 -4.834 0.739 1.00 0.54 H new ATOM 0 H42 DC A 4 -0.518 -4.756 -0.979 1.00 0.54 H new ATOM 0 H5 DC A 4 -3.369 -4.906 1.486 1.00 0.60 H new ATOM 0 H6 DC A 4 -5.651 -4.926 0.598 1.00 0.62 H new ATOM 128 P DT A 5 -10.375 -7.094 -1.637 1.00 0.80 P ATOM 129 OP1 DT A 5 -10.935 -5.873 -2.259 1.00 0.95 O ATOM 130 OP2 DT A 5 -11.288 -8.036 -0.950 1.00 1.06 O ATOM 131 O5' DT A 5 -9.603 -7.940 -2.805 1.00 0.74 O ATOM 132 C5' DT A 5 -9.508 -7.476 -4.178 1.00 0.93 C ATOM 133 C4' DT A 5 -8.292 -8.035 -4.956 1.00 0.97 C ATOM 134 O4' DT A 5 -7.217 -7.792 -4.081 1.00 0.82 O ATOM 135 C3' DT A 5 -8.165 -9.482 -5.486 1.00 1.13 C ATOM 136 O3' DT A 5 -7.216 -9.770 -6.548 1.00 1.40 O ATOM 137 C2' DT A 5 -7.581 -10.132 -4.254 1.00 1.04 C ATOM 138 C1' DT A 5 -6.620 -9.028 -3.874 1.00 0.86 C ATOM 139 N1 DT A 5 -6.100 -9.039 -2.507 1.00 0.85 N ATOM 140 C2 DT A 5 -4.747 -8.977 -2.284 1.00 0.99 C ATOM 141 O2 DT A 5 -3.920 -8.896 -3.170 1.00 1.08 O ATOM 142 N3 DT A 5 -4.323 -8.992 -0.986 1.00 1.14 N ATOM 143 C4 DT A 5 -5.135 -9.064 0.112 1.00 1.20 C ATOM 144 O4 DT A 5 -4.659 -9.067 1.244 1.00 1.44 O ATOM 145 C5 DT A 5 -6.532 -9.124 -0.214 1.00 1.04 C ATOM 146 C7 DT A 5 -7.586 -9.185 0.876 1.00 1.18 C ATOM 147 C6 DT A 5 -6.962 -9.110 -1.477 1.00 0.86 C ATOM 0 H5' DT A 5 -9.456 -6.387 -4.179 1.00 0.93 H new ATOM 0 H5'' DT A 5 -10.421 -7.752 -4.706 1.00 0.93 H new ATOM 0 H4' DT A 5 -8.367 -7.538 -5.923 1.00 0.97 H new ATOM 0 H3' DT A 5 -9.120 -9.788 -5.912 1.00 1.13 H new ATOM 0 H2' DT A 5 -8.326 -10.332 -3.484 1.00 1.04 H new ATOM 0 H2'' DT A 5 -7.081 -11.077 -4.467 1.00 1.04 H new ATOM 0 H1' DT A 5 -5.762 -9.213 -4.520 1.00 0.86 H new ATOM 0 H3 DT A 5 -3.317 -8.946 -0.822 1.00 1.14 H new ATOM 0 H71 DT A 5 -7.176 -9.691 1.750 1.00 1.18 H new ATOM 0 H72 DT A 5 -7.886 -8.173 1.149 1.00 1.18 H new ATOM 0 H73 DT A 5 -8.454 -9.735 0.512 1.00 1.18 H new ATOM 0 H6 DT A 5 -8.022 -9.157 -1.676 1.00 0.86 H new ATOM 160 P DT A 6 -6.759 -8.870 -7.826 1.00 1.63 P ATOM 161 OP1 DT A 6 -7.055 -7.455 -7.509 1.00 1.52 O ATOM 162 OP2 DT A 6 -7.330 -9.494 -9.043 1.00 2.03 O ATOM 163 O5' DT A 6 -5.134 -9.013 -7.886 1.00 1.68 O ATOM 164 C5' DT A 6 -4.320 -8.510 -6.798 1.00 1.56 C ATOM 165 C4' DT A 6 -3.863 -9.622 -5.827 1.00 1.51 C ATOM 166 O4' DT A 6 -4.978 -10.485 -5.772 1.00 1.54 O ATOM 167 C3' DT A 6 -2.777 -10.617 -6.219 1.00 1.66 C ATOM 168 O3' DT A 6 -1.543 -10.436 -5.505 1.00 1.46 O ATOM 169 C2' DT A 6 -3.351 -12.029 -5.932 1.00 1.92 C ATOM 170 C1' DT A 6 -4.662 -11.757 -5.251 1.00 1.71 C ATOM 171 N1 DT A 6 -5.741 -12.676 -5.674 1.00 1.84 N ATOM 172 C2 DT A 6 -6.061 -13.766 -4.895 1.00 1.98 C ATOM 173 O2 DT A 6 -5.463 -14.026 -3.860 1.00 2.00 O ATOM 174 N3 DT A 6 -7.096 -14.552 -5.344 1.00 2.14 N ATOM 175 C4 DT A 6 -7.823 -14.339 -6.494 1.00 2.20 C ATOM 176 O4 DT A 6 -8.730 -15.110 -6.788 1.00 2.39 O ATOM 177 C5 DT A 6 -7.420 -13.179 -7.249 1.00 2.10 C ATOM 178 C7 DT A 6 -8.144 -12.793 -8.533 1.00 2.26 C ATOM 179 C6 DT A 6 -6.415 -12.413 -6.818 1.00 1.92 C ATOM 0 H5' DT A 6 -4.885 -7.760 -6.244 1.00 1.56 H new ATOM 0 H5'' DT A 6 -3.443 -8.009 -7.208 1.00 1.56 H new ATOM 0 H4' DT A 6 -3.484 -9.069 -4.968 1.00 1.51 H new ATOM 0 H3' DT A 6 -2.526 -10.470 -7.270 1.00 1.66 H new ATOM 0 H2' DT A 6 -3.489 -12.598 -6.851 1.00 1.92 H new ATOM 0 H2'' DT A 6 -2.683 -12.609 -5.295 1.00 1.92 H new ATOM 0 H1' DT A 6 -4.583 -11.854 -4.168 1.00 1.71 H new ATOM 0 H3 DT A 6 -7.347 -15.362 -4.777 1.00 2.14 H new ATOM 0 H71 DT A 6 -8.533 -13.690 -9.015 1.00 2.26 H new ATOM 0 H72 DT A 6 -8.969 -12.121 -8.297 1.00 2.26 H new ATOM 0 H73 DT A 6 -7.449 -12.291 -9.206 1.00 2.26 H new ATOM 0 H6 DT A 6 -6.129 -11.552 -7.404 1.00 1.92 H new ATOM 192 P DT A 7 -0.641 -9.095 -5.712 1.00 1.33 P ATOM 193 OP1 DT A 7 -1.539 -7.969 -6.044 1.00 1.57 O ATOM 194 OP2 DT A 7 0.466 -9.450 -6.623 1.00 1.76 O ATOM 195 O5' DT A 7 -0.009 -8.794 -4.271 1.00 0.96 O ATOM 196 C5' DT A 7 -0.893 -8.491 -3.198 1.00 0.93 C ATOM 197 C4' DT A 7 -0.205 -8.729 -1.854 1.00 0.70 C ATOM 198 O4' DT A 7 -1.262 -9.099 -0.950 1.00 0.93 O ATOM 199 C3' DT A 7 0.715 -9.968 -1.820 1.00 0.76 C ATOM 200 O3' DT A 7 2.130 -9.862 -1.966 1.00 0.68 O ATOM 201 C2' DT A 7 0.539 -10.604 -0.440 1.00 1.02 C ATOM 202 C1' DT A 7 -0.745 -9.931 0.113 1.00 1.23 C ATOM 203 N1 DT A 7 -1.799 -10.917 0.374 1.00 1.70 N ATOM 204 C2 DT A 7 -2.374 -10.917 1.616 1.00 2.18 C ATOM 205 O2 DT A 7 -2.010 -10.170 2.521 1.00 2.31 O ATOM 206 N3 DT A 7 -3.380 -11.819 1.806 1.00 2.66 N ATOM 207 C4 DT A 7 -3.859 -12.714 0.886 1.00 2.77 C ATOM 208 O4 DT A 7 -4.780 -13.473 1.198 1.00 3.29 O ATOM 209 C5 DT A 7 -3.206 -12.659 -0.387 1.00 2.37 C ATOM 210 C7 DT A 7 -3.609 -13.564 -1.534 1.00 2.67 C ATOM 211 C6 DT A 7 -2.222 -11.789 -0.593 1.00 1.88 C ATOM 0 H5' DT A 7 -1.787 -9.110 -3.270 1.00 0.93 H new ATOM 0 H5'' DT A 7 -1.217 -7.453 -3.268 1.00 0.93 H new ATOM 0 H4' DT A 7 0.377 -7.835 -1.628 1.00 0.70 H new ATOM 0 H3' DT A 7 0.392 -10.499 -2.715 1.00 0.76 H new ATOM 0 H2' DT A 7 0.426 -11.686 -0.509 1.00 1.02 H new ATOM 0 H2'' DT A 7 1.399 -10.413 0.202 1.00 1.02 H new ATOM 0 H1' DT A 7 -0.495 -9.398 1.031 1.00 1.23 H new ATOM 0 H3 DT A 7 -3.820 -11.828 2.726 1.00 2.66 H new ATOM 0 H71 DT A 7 -3.419 -13.058 -2.481 1.00 2.67 H new ATOM 0 H72 DT A 7 -3.028 -14.485 -1.492 1.00 2.67 H new ATOM 0 H73 DT A 7 -4.670 -13.800 -1.455 1.00 2.67 H new ATOM 0 H6 DT A 7 -1.739 -11.769 -1.559 1.00 1.88 H new ATOM 224 P DT A 8 2.975 -11.159 -2.447 1.00 0.64 P ATOM 225 OP1 DT A 8 2.062 -12.305 -2.664 1.00 0.79 O ATOM 226 OP2 DT A 8 4.125 -11.306 -1.526 1.00 0.88 O ATOM 227 O5' DT A 8 3.534 -10.686 -3.888 1.00 0.68 O ATOM 228 C5' DT A 8 2.903 -9.612 -4.614 1.00 0.67 C ATOM 229 C4' DT A 8 3.764 -8.321 -4.636 1.00 0.56 C ATOM 230 O4' DT A 8 4.165 -7.949 -3.294 1.00 0.47 O ATOM 231 C3' DT A 8 5.107 -8.301 -5.389 1.00 0.64 C ATOM 232 O3' DT A 8 5.618 -6.958 -5.547 1.00 0.78 O ATOM 233 C2' DT A 8 5.977 -8.982 -4.331 1.00 0.57 C ATOM 234 C1' DT A 8 5.609 -8.021 -3.197 1.00 0.44 C ATOM 235 N1 DT A 8 6.080 -8.332 -1.823 1.00 0.46 N ATOM 236 C2 DT A 8 7.433 -8.380 -1.599 1.00 0.66 C ATOM 237 O2 DT A 8 8.266 -8.162 -2.468 1.00 0.79 O ATOM 238 N3 DT A 8 7.836 -8.671 -0.322 1.00 0.80 N ATOM 239 C4 DT A 8 7.019 -8.919 0.756 1.00 0.75 C ATOM 240 O4 DT A 8 7.518 -9.176 1.848 1.00 0.92 O ATOM 241 C5 DT A 8 5.612 -8.848 0.452 1.00 0.56 C ATOM 242 C7 DT A 8 4.561 -9.074 1.561 1.00 0.63 C ATOM 243 C6 DT A 8 5.208 -8.564 -0.801 1.00 0.45 C ATOM 0 H5' DT A 8 1.936 -9.392 -4.162 1.00 0.67 H new ATOM 0 H5'' DT A 8 2.711 -9.934 -5.638 1.00 0.67 H new ATOM 0 H4' DT A 8 3.071 -7.665 -5.162 1.00 0.56 H new ATOM 0 H3' DT A 8 5.060 -8.739 -6.386 1.00 0.64 H new ATOM 0 H2' DT A 8 5.695 -10.016 -4.135 1.00 0.57 H new ATOM 0 H2'' DT A 8 7.039 -8.982 -4.575 1.00 0.57 H new ATOM 0 H1' DT A 8 6.136 -7.077 -3.338 1.00 0.44 H new ATOM 0 H3 DT A 8 8.841 -8.707 -0.154 1.00 0.80 H new ATOM 0 H71 DT A 8 3.664 -8.497 1.335 1.00 0.63 H new ATOM 0 H72 DT A 8 4.308 -10.133 1.612 1.00 0.63 H new ATOM 0 H73 DT A 8 4.968 -8.751 2.519 1.00 0.63 H new ATOM 0 H6 DT A 8 4.148 -8.518 -1.005 1.00 0.45 H new ATOM 256 P DG A 9 6.353 -6.301 -6.815 1.00 0.43 P ATOM 257 OP1 DG A 9 7.138 -7.346 -7.506 1.00 0.63 O ATOM 258 OP2 DG A 9 6.998 -5.056 -6.358 1.00 0.58 O ATOM 259 O5' DG A 9 5.101 -5.884 -7.739 1.00 0.52 O ATOM 260 C5' DG A 9 4.537 -6.727 -8.754 1.00 0.55 C ATOM 261 C4' DG A 9 3.319 -6.072 -9.449 1.00 0.51 C ATOM 262 O4' DG A 9 2.235 -5.922 -8.539 1.00 0.54 O ATOM 263 C3' DG A 9 3.413 -4.704 -10.135 1.00 0.48 C ATOM 264 O3' DG A 9 2.413 -4.423 -11.143 1.00 0.55 O ATOM 265 C2' DG A 9 3.266 -3.818 -8.896 1.00 0.47 C ATOM 266 C1' DG A 9 2.059 -4.535 -8.233 1.00 0.47 C ATOM 267 N9 DG A 9 2.029 -4.570 -6.757 1.00 0.42 N ATOM 268 C8 DG A 9 3.064 -4.593 -5.852 1.00 0.41 C ATOM 269 N7 DG A 9 2.682 -4.663 -4.602 1.00 0.43 N ATOM 270 C5 DG A 9 1.296 -4.685 -4.695 1.00 0.43 C ATOM 271 C6 DG A 9 0.323 -4.753 -3.680 1.00 0.49 C ATOM 272 O6 DG A 9 0.524 -4.818 -2.477 1.00 0.54 O ATOM 273 N1 DG A 9 -0.968 -4.751 -4.181 1.00 0.49 N ATOM 274 C2 DG A 9 -1.269 -4.696 -5.515 1.00 0.46 C ATOM 275 N2 DG A 9 -2.545 -4.698 -5.852 1.00 0.50 N ATOM 276 N3 DG A 9 -0.359 -4.632 -6.481 1.00 0.43 N ATOM 277 C4 DG A 9 0.897 -4.630 -5.997 1.00 0.41 C ATOM 0 H5' DG A 9 4.233 -7.674 -8.309 1.00 0.55 H new ATOM 0 H5'' DG A 9 5.299 -6.955 -9.499 1.00 0.55 H new ATOM 0 H4' DG A 9 3.210 -6.796 -10.257 1.00 0.51 H new ATOM 0 H3' DG A 9 4.316 -4.577 -10.732 1.00 0.48 H new ATOM 0 H2' DG A 9 4.156 -3.821 -8.267 1.00 0.47 H new ATOM 0 H2'' DG A 9 3.055 -2.778 -9.144 1.00 0.47 H new ATOM 0 H1' DG A 9 1.178 -4.003 -8.592 1.00 0.47 H new ATOM 0 H8 DG A 9 4.102 -4.556 -6.147 1.00 0.41 H new ATOM 0 H1 DG A 9 -1.741 -4.793 -3.516 1.00 0.49 H new ATOM 0 H21 DG A 9 -2.813 -4.658 -6.835 1.00 0.50 H new ATOM 0 H22 DG A 9 -3.263 -4.740 -5.129 1.00 0.50 H new ATOM 289 P DG A 10 1.908 -2.952 -11.575 1.00 0.63 P ATOM 290 OP1 DG A 10 1.213 -3.045 -12.879 1.00 0.85 O ATOM 291 OP2 DG A 10 3.014 -1.995 -11.373 1.00 0.75 O ATOM 292 O5' DG A 10 0.799 -2.718 -10.432 1.00 0.82 O ATOM 293 C5' DG A 10 0.021 -1.520 -10.405 1.00 0.76 C ATOM 294 C4' DG A 10 -1.483 -1.773 -10.251 1.00 0.50 C ATOM 295 O4' DG A 10 -1.754 -2.351 -8.959 1.00 0.56 O ATOM 296 C3' DG A 10 -2.298 -0.459 -10.298 1.00 0.45 C ATOM 297 O3' DG A 10 -3.679 -0.250 -10.676 1.00 0.65 O ATOM 298 C2' DG A 10 -2.208 -0.118 -8.847 1.00 0.46 C ATOM 299 C1' DG A 10 -2.616 -1.456 -8.255 1.00 0.45 C ATOM 300 N9 DG A 10 -2.417 -1.523 -6.801 1.00 0.39 N ATOM 301 C8 DG A 10 -3.373 -1.569 -5.825 1.00 0.40 C ATOM 302 N7 DG A 10 -2.885 -1.629 -4.624 1.00 0.41 N ATOM 303 C5 DG A 10 -1.514 -1.621 -4.809 1.00 0.36 C ATOM 304 C6 DG A 10 -0.478 -1.668 -3.855 1.00 0.35 C ATOM 305 O6 DG A 10 -0.606 -1.718 -2.636 1.00 0.43 O ATOM 306 N1 DG A 10 0.770 -1.649 -4.441 1.00 0.29 N ATOM 307 C2 DG A 10 0.988 -1.585 -5.796 1.00 0.27 C ATOM 308 N2 DG A 10 2.233 -1.576 -6.229 1.00 0.28 N ATOM 309 N3 DG A 10 0.016 -1.534 -6.701 1.00 0.32 N ATOM 310 C4 DG A 10 -1.211 -1.557 -6.136 1.00 0.35 C ATOM 0 H5' DG A 10 0.195 -0.962 -11.325 1.00 0.76 H new ATOM 0 H5'' DG A 10 0.362 -0.893 -9.582 1.00 0.76 H new ATOM 0 H4' DG A 10 -1.768 -2.431 -11.072 1.00 0.50 H new ATOM 0 H3' DG A 10 -1.879 0.085 -11.144 1.00 0.45 H new ATOM 0 H2' DG A 10 -1.204 0.185 -8.548 1.00 0.46 H new ATOM 0 H2'' DG A 10 -2.882 0.690 -8.563 1.00 0.46 H new ATOM 0 H1' DG A 10 -3.678 -1.676 -8.368 1.00 0.45 H new ATOM 0 H8 DG A 10 -4.433 -1.557 -6.033 1.00 0.40 H new ATOM 0 H1 DG A 10 1.585 -1.685 -3.828 1.00 0.29 H new ATOM 0 H21 DG A 10 2.425 -1.529 -7.230 1.00 0.28 H new ATOM 0 H22 DG A 10 3.005 -1.616 -5.563 1.00 0.28 H new ATOM 322 P DG A 11 -4.982 -1.205 -10.761 1.00 0.56 P ATOM 323 OP1 DG A 11 -4.615 -2.572 -10.330 1.00 0.89 O ATOM 324 OP2 DG A 11 -5.609 -0.998 -12.090 1.00 0.95 O ATOM 325 O5' DG A 11 -5.909 -0.570 -9.620 1.00 1.13 O ATOM 326 C5' DG A 11 -6.255 0.810 -9.471 1.00 0.78 C ATOM 327 C4' DG A 11 -7.027 0.925 -8.165 1.00 0.53 C ATOM 328 O4' DG A 11 -6.137 0.711 -7.048 1.00 0.64 O ATOM 329 C3' DG A 11 -7.728 2.246 -7.836 1.00 0.44 C ATOM 330 O3' DG A 11 -8.727 2.213 -6.790 1.00 0.56 O ATOM 331 C2' DG A 11 -6.526 2.948 -7.246 1.00 0.40 C ATOM 332 C1' DG A 11 -6.136 1.900 -6.248 1.00 0.44 C ATOM 333 N9 DG A 11 -4.814 1.975 -5.642 1.00 0.40 N ATOM 334 C8 DG A 11 -3.614 2.169 -6.250 1.00 0.39 C ATOM 335 N7 DG A 11 -2.601 2.095 -5.437 1.00 0.41 N ATOM 336 C5 DG A 11 -3.184 1.843 -4.202 1.00 0.40 C ATOM 337 C6 DG A 11 -2.588 1.665 -2.936 1.00 0.43 C ATOM 338 O6 DG A 11 -1.395 1.686 -2.663 1.00 0.47 O ATOM 339 N1 DG A 11 -3.537 1.434 -1.962 1.00 0.49 N ATOM 340 C2 DG A 11 -4.890 1.378 -2.169 1.00 0.56 C ATOM 341 N2 DG A 11 -5.635 1.152 -1.105 1.00 0.70 N ATOM 342 N3 DG A 11 -5.457 1.543 -3.356 1.00 0.53 N ATOM 343 C4 DG A 11 -4.541 1.771 -4.322 1.00 0.42 C ATOM 0 H5' DG A 11 -6.861 1.151 -10.311 1.00 0.78 H new ATOM 0 H5'' DG A 11 -5.361 1.434 -9.449 1.00 0.78 H new ATOM 0 H4' DG A 11 -7.806 0.178 -8.317 1.00 0.53 H new ATOM 0 H3' DG A 11 -8.265 2.649 -8.695 1.00 0.44 H new ATOM 0 H2' DG A 11 -5.746 3.145 -7.981 1.00 0.40 H new ATOM 0 H2'' DG A 11 -6.777 3.903 -6.783 1.00 0.40 H new ATOM 0 H1' DG A 11 -6.815 1.983 -5.400 1.00 0.44 H new ATOM 0 H8 DG A 11 -3.511 2.366 -7.307 1.00 0.39 H new ATOM 0 H1 DG A 11 -3.204 1.293 -1.008 1.00 0.49 H new ATOM 0 H21 DG A 11 -6.650 1.099 -1.195 1.00 0.70 H new ATOM 0 H22 DG A 11 -5.197 1.030 -0.192 1.00 0.70 H new ATOM 355 P DC A 12 -10.321 2.411 -6.922 1.00 0.58 P ATOM 356 OP1 DC A 12 -10.860 1.363 -7.820 1.00 1.00 O ATOM 357 OP2 DC A 12 -10.593 3.845 -7.166 1.00 0.99 O ATOM 358 O5' DC A 12 -10.781 2.083 -5.390 1.00 0.63 O ATOM 359 C5' DC A 12 -9.827 2.074 -4.297 1.00 0.59 C ATOM 360 C4' DC A 12 -9.694 3.405 -3.524 1.00 0.62 C ATOM 361 O4' DC A 12 -8.438 3.334 -2.811 1.00 0.67 O ATOM 362 C3' DC A 12 -9.491 4.631 -4.382 1.00 0.65 C ATOM 363 O3' DC A 12 -10.693 5.137 -4.956 1.00 0.74 O ATOM 364 C2' DC A 12 -8.786 5.616 -3.441 1.00 0.67 C ATOM 365 C1' DC A 12 -7.906 4.653 -2.560 1.00 0.64 C ATOM 366 N1 DC A 12 -6.407 4.669 -2.662 1.00 0.56 N ATOM 367 C2 DC A 12 -5.724 4.384 -1.495 1.00 0.67 C ATOM 368 O2 DC A 12 -6.332 4.138 -0.460 1.00 0.85 O ATOM 369 N3 DC A 12 -4.369 4.373 -1.506 1.00 0.63 N ATOM 370 C4 DC A 12 -3.675 4.621 -2.616 1.00 0.47 C ATOM 371 N4 DC A 12 -2.351 4.576 -2.510 1.00 0.46 N ATOM 372 C5 DC A 12 -4.354 4.914 -3.831 1.00 0.39 C ATOM 373 C6 DC A 12 -5.701 4.932 -3.808 1.00 0.43 C ATOM 0 H5' DC A 12 -8.848 1.804 -4.693 1.00 0.59 H new ATOM 0 H5'' DC A 12 -10.113 1.292 -3.594 1.00 0.59 H new ATOM 0 H4' DC A 12 -10.613 3.504 -2.947 1.00 0.62 H new ATOM 0 H3' DC A 12 -8.899 4.419 -5.272 1.00 0.65 H new ATOM 0 H2' DC A 12 -8.179 6.338 -3.987 1.00 0.67 H new ATOM 0 H2'' DC A 12 -9.495 6.185 -2.840 1.00 0.67 H new ATOM 0 HO3' DC A 12 -10.825 4.739 -5.842 1.00 0.74 H new ATOM 0 H1' DC A 12 -7.996 5.024 -1.539 1.00 0.64 H new ATOM 0 H41 DC A 12 -1.768 4.757 -3.327 1.00 0.46 H new ATOM 0 H42 DC A 12 -1.918 4.360 -1.612 1.00 0.46 H new ATOM 0 H5 DC A 12 -3.808 5.115 -4.741 1.00 0.39 H new ATOM 0 H6 DC A 12 -6.239 5.160 -4.716 1.00 0.43 H new TER 386 DC A 12 ATOM 387 O5' DG B 1 -3.618 -6.092 8.033 1.00 1.07 O ATOM 388 C5' DG B 1 -2.380 -6.437 8.655 1.00 0.96 C ATOM 389 C4' DG B 1 -1.165 -5.673 8.073 1.00 0.73 C ATOM 390 O4' DG B 1 -0.931 -6.044 6.711 1.00 0.76 O ATOM 391 C3' DG B 1 -1.267 -4.184 7.994 1.00 0.53 C ATOM 392 O3' DG B 1 -1.098 -3.343 9.174 1.00 0.58 O ATOM 393 C2' DG B 1 -0.250 -3.836 6.882 1.00 0.51 C ATOM 394 C1' DG B 1 0.168 -5.209 6.316 1.00 0.62 C ATOM 395 N9 DG B 1 0.147 -5.171 4.850 1.00 0.58 N ATOM 396 C8 DG B 1 -0.941 -5.183 4.018 1.00 0.63 C ATOM 397 N7 DG B 1 -0.644 -5.109 2.746 1.00 0.63 N ATOM 398 C5 DG B 1 0.749 -5.046 2.765 1.00 0.55 C ATOM 399 C6 DG B 1 1.656 -4.956 1.704 1.00 0.55 C ATOM 400 O6 DG B 1 1.400 -4.910 0.522 1.00 0.63 O ATOM 401 N1 DG B 1 2.963 -4.918 2.115 1.00 0.54 N ATOM 402 C2 DG B 1 3.366 -4.962 3.418 1.00 0.56 C ATOM 403 N2 DG B 1 4.654 -4.919 3.650 1.00 0.67 N ATOM 404 N3 DG B 1 2.528 -5.047 4.434 1.00 0.56 N ATOM 405 C4 DG B 1 1.236 -5.085 4.038 1.00 0.53 C ATOM 0 H5' DG B 1 -2.213 -7.508 8.545 1.00 0.96 H new ATOM 0 H5'' DG B 1 -2.450 -6.234 9.724 1.00 0.96 H new ATOM 0 H4' DG B 1 -0.386 -5.948 8.784 1.00 0.73 H new ATOM 0 H3' DG B 1 -2.315 -3.942 7.816 1.00 0.53 H new ATOM 0 H2' DG B 1 -0.699 -3.207 6.113 1.00 0.51 H new ATOM 0 H2'' DG B 1 0.606 -3.291 7.280 1.00 0.51 H new ATOM 0 HO5' DG B 1 -4.344 -6.607 8.442 1.00 1.07 H new ATOM 0 H1' DG B 1 1.156 -5.523 6.652 1.00 0.62 H new ATOM 0 H8 DG B 1 -1.956 -5.248 4.381 1.00 0.63 H new ATOM 0 H1 DG B 1 3.685 -4.852 1.397 1.00 0.54 H new ATOM 0 H21 DG B 1 5.001 -4.949 4.609 1.00 0.67 H new ATOM 0 H22 DG B 1 5.310 -4.855 2.872 1.00 0.67 H new ATOM 418 P DG B 2 0.230 -3.362 10.119 1.00 0.96 P ATOM 419 OP1 DG B 2 0.107 -4.433 11.131 1.00 1.66 O ATOM 420 OP2 DG B 2 0.503 -1.970 10.530 1.00 1.48 O ATOM 421 O5' DG B 2 1.289 -3.809 9.020 1.00 0.63 O ATOM 422 C5' DG B 2 2.653 -4.128 9.237 1.00 0.67 C ATOM 423 C4' DG B 2 3.521 -3.235 8.391 1.00 0.62 C ATOM 424 O4' DG B 2 3.301 -3.312 6.978 1.00 0.58 O ATOM 425 C3' DG B 2 3.386 -1.749 8.684 1.00 0.61 C ATOM 426 O3' DG B 2 4.607 -1.404 9.346 1.00 0.79 O ATOM 427 C2' DG B 2 3.220 -1.107 7.324 1.00 0.66 C ATOM 428 C1' DG B 2 3.955 -2.128 6.494 1.00 0.59 C ATOM 429 N9 DG B 2 3.770 -1.961 5.048 1.00 0.54 N ATOM 430 C8 DG B 2 4.723 -1.874 4.084 1.00 0.60 C ATOM 431 N7 DG B 2 4.240 -1.752 2.887 1.00 0.57 N ATOM 432 C5 DG B 2 2.869 -1.756 3.064 1.00 0.50 C ATOM 433 C6 DG B 2 1.822 -1.652 2.114 1.00 0.49 C ATOM 434 O6 DG B 2 1.915 -1.539 0.901 1.00 0.55 O ATOM 435 N1 DG B 2 0.591 -1.700 2.722 1.00 0.46 N ATOM 436 C2 DG B 2 0.399 -1.826 4.062 1.00 0.44 C ATOM 437 N2 DG B 2 -0.844 -1.827 4.461 1.00 0.49 N ATOM 438 N3 DG B 2 1.361 -1.925 4.956 1.00 0.45 N ATOM 439 C4 DG B 2 2.575 -1.881 4.389 1.00 0.48 C ATOM 0 H5' DG B 2 2.837 -5.173 8.988 1.00 0.67 H new ATOM 0 H5'' DG B 2 2.903 -4.003 10.291 1.00 0.67 H new ATOM 0 H4' DG B 2 4.499 -3.629 8.668 1.00 0.62 H new ATOM 0 H3' DG B 2 2.553 -1.437 9.314 1.00 0.61 H new ATOM 0 H2' DG B 2 2.175 -1.000 7.033 1.00 0.66 H new ATOM 0 H2'' DG B 2 3.669 -0.116 7.268 1.00 0.66 H new ATOM 0 H1' DG B 2 5.040 -2.095 6.593 1.00 0.59 H new ATOM 0 H8 DG B 2 5.782 -1.904 4.295 1.00 0.60 H new ATOM 0 H1 DG B 2 -0.235 -1.637 2.127 1.00 0.46 H new ATOM 0 H21 DG B 2 -1.061 -1.918 5.453 1.00 0.49 H new ATOM 0 H22 DG B 2 -1.598 -1.737 3.780 1.00 0.49 H new ATOM 451 P DG B 3 5.298 0.027 9.508 1.00 1.70 P ATOM 452 OP1 DG B 3 6.592 -0.246 10.159 1.00 2.52 O ATOM 453 OP2 DG B 3 4.332 0.973 10.097 1.00 2.49 O ATOM 454 O5' DG B 3 5.633 0.511 8.011 1.00 1.34 O ATOM 455 C5' DG B 3 6.897 0.177 7.346 1.00 1.27 C ATOM 456 C4' DG B 3 7.171 0.837 5.987 1.00 0.98 C ATOM 457 O4' DG B 3 6.126 0.446 5.076 1.00 0.87 O ATOM 458 C3' DG B 3 7.378 2.350 5.774 1.00 0.82 C ATOM 459 O3' DG B 3 8.271 2.685 4.684 1.00 0.89 O ATOM 460 C2' DG B 3 6.023 2.710 5.250 1.00 0.70 C ATOM 461 C1' DG B 3 5.870 1.573 4.256 1.00 0.72 C ATOM 462 N9 DG B 3 4.535 1.533 3.679 1.00 0.62 N ATOM 463 C8 DG B 3 3.325 1.542 4.316 1.00 0.60 C ATOM 464 N7 DG B 3 2.323 1.514 3.495 1.00 0.52 N ATOM 465 C5 DG B 3 2.902 1.489 2.240 1.00 0.49 C ATOM 466 C6 DG B 3 2.298 1.456 0.968 1.00 0.46 C ATOM 467 O6 DG B 3 1.096 1.457 0.724 1.00 0.43 O ATOM 468 N1 DG B 3 3.234 1.438 -0.045 1.00 0.50 N ATOM 469 C2 DG B 3 4.595 1.449 0.148 1.00 0.54 C ATOM 470 N2 DG B 3 5.383 1.440 -0.905 1.00 0.62 N ATOM 471 N3 DG B 3 5.164 1.477 1.348 1.00 0.57 N ATOM 472 C4 DG B 3 4.257 1.497 2.342 1.00 0.55 C ATOM 0 H5' DG B 3 6.932 -0.904 7.210 1.00 1.27 H new ATOM 0 H5'' DG B 3 7.713 0.440 8.020 1.00 1.27 H new ATOM 0 H4' DG B 3 8.185 0.468 5.836 1.00 0.98 H new ATOM 0 H3' DG B 3 7.772 2.825 6.673 1.00 0.82 H new ATOM 0 H2' DG B 3 5.254 2.706 6.022 1.00 0.70 H new ATOM 0 H2'' DG B 3 5.997 3.693 4.779 1.00 0.70 H new ATOM 0 H1' DG B 3 6.528 1.649 3.390 1.00 0.72 H new ATOM 0 H8 DG B 3 3.216 1.570 5.390 1.00 0.60 H new ATOM 0 H1 DG B 3 2.892 1.415 -1.006 1.00 0.50 H new ATOM 0 H21 DG B 3 6.396 1.448 -0.784 1.00 0.62 H new ATOM 0 H22 DG B 3 4.981 1.425 -1.842 1.00 0.62 H new ATOM 484 P DC B 4 9.676 3.483 4.757 1.00 0.99 P ATOM 485 OP1 DC B 4 10.598 2.683 5.589 1.00 1.63 O ATOM 486 OP2 DC B 4 9.394 4.894 5.094 1.00 1.45 O ATOM 487 O5' DC B 4 10.159 3.389 3.205 1.00 0.82 O ATOM 488 C5' DC B 4 9.261 2.912 2.169 1.00 0.73 C ATOM 489 C4' DC B 4 8.824 4.002 1.198 1.00 0.63 C ATOM 490 O4' DC B 4 7.613 3.497 0.586 1.00 0.63 O ATOM 491 C3' DC B 4 8.302 5.337 1.757 1.00 0.62 C ATOM 492 O3' DC B 4 9.210 6.384 2.183 1.00 0.72 O ATOM 493 C2' DC B 4 7.562 5.844 0.528 1.00 0.61 C ATOM 494 C1' DC B 4 6.912 4.587 -0.037 1.00 0.62 C ATOM 495 N1 DC B 4 5.436 4.569 0.110 1.00 0.58 N ATOM 496 C2 DC B 4 4.699 4.491 -1.058 1.00 0.57 C ATOM 497 O2 DC B 4 5.240 4.437 -2.158 1.00 0.62 O ATOM 498 N3 DC B 4 3.357 4.483 -0.970 1.00 0.55 N ATOM 499 C4 DC B 4 2.745 4.550 0.210 1.00 0.55 C ATOM 500 N4 DC B 4 1.434 4.553 0.118 1.00 0.54 N ATOM 501 C5 DC B 4 3.479 4.632 1.440 1.00 0.60 C ATOM 502 C6 DC B 4 4.821 4.639 1.331 1.00 0.62 C ATOM 0 H5' DC B 4 8.378 2.477 2.636 1.00 0.73 H new ATOM 0 H5'' DC B 4 9.752 2.115 1.611 1.00 0.73 H new ATOM 0 H4' DC B 4 9.723 4.201 0.614 1.00 0.63 H new ATOM 0 H3' DC B 4 7.788 5.136 2.697 1.00 0.62 H new ATOM 0 H2' DC B 4 6.819 6.598 0.789 1.00 0.61 H new ATOM 0 H2'' DC B 4 8.242 6.302 -0.190 1.00 0.61 H new ATOM 0 H1' DC B 4 7.009 4.521 -1.121 1.00 0.62 H new ATOM 0 H41 DC B 4 0.864 4.602 0.962 1.00 0.54 H new ATOM 0 H42 DC B 4 0.987 4.507 -0.798 1.00 0.54 H new ATOM 0 H5 DC B 4 2.984 4.685 2.398 1.00 0.60 H new ATOM 0 H6 DC B 4 5.424 4.701 2.225 1.00 0.62 H new ATOM 514 P DT B 5 10.602 6.853 1.465 1.00 0.80 P ATOM 515 OP1 DT B 5 11.319 5.627 1.048 1.00 0.95 O ATOM 516 OP2 DT B 5 11.273 7.802 2.381 1.00 1.06 O ATOM 517 O5' DT B 5 10.211 7.688 0.114 1.00 0.74 O ATOM 518 C5' DT B 5 10.526 7.211 -1.220 1.00 0.93 C ATOM 519 C4' DT B 5 9.600 7.759 -2.330 1.00 0.97 C ATOM 520 O4' DT B 5 8.308 7.521 -1.818 1.00 0.82 O ATOM 521 C3' DT B 5 9.631 9.200 -2.889 1.00 1.13 C ATOM 522 O3' DT B 5 9.040 9.477 -4.187 1.00 1.40 O ATOM 523 C2' DT B 5 8.712 9.864 -1.892 1.00 1.04 C ATOM 524 C1' DT B 5 7.678 8.761 -1.799 1.00 0.87 C ATOM 525 N1 DT B 5 6.776 8.788 -0.648 1.00 0.85 N ATOM 526 C2 DT B 5 5.419 8.724 -0.837 1.00 0.99 C ATOM 527 O2 DT B 5 4.890 8.633 -1.932 1.00 1.08 O ATOM 528 N3 DT B 5 4.635 8.749 0.278 1.00 1.14 N ATOM 529 C4 DT B 5 5.085 8.826 1.566 1.00 1.20 C ATOM 530 O4 DT B 5 4.294 8.841 2.504 1.00 1.44 O ATOM 531 C5 DT B 5 6.519 8.887 1.675 1.00 1.04 C ATOM 532 C7 DT B 5 7.209 8.962 3.026 1.00 1.18 C ATOM 533 C6 DT B 5 7.295 8.866 0.591 1.00 0.86 C ATOM 0 H5' DT B 5 10.474 6.122 -1.225 1.00 0.93 H new ATOM 0 H5'' DT B 5 11.555 7.482 -1.456 1.00 0.93 H new ATOM 0 H4' DT B 5 9.968 7.252 -3.222 1.00 0.97 H new ATOM 0 H3' DT B 5 10.670 9.503 -3.018 1.00 1.13 H new ATOM 0 H2' DT B 5 9.198 10.074 -0.939 1.00 1.04 H new ATOM 0 H2'' DT B 5 8.299 10.806 -2.254 1.00 1.04 H new ATOM 0 H1' DT B 5 7.045 8.938 -2.668 1.00 0.87 H new ATOM 0 H3 DT B 5 3.625 8.707 0.139 1.00 1.14 H new ATOM 0 H71 DT B 5 6.562 9.476 3.737 1.00 1.18 H new ATOM 0 H72 DT B 5 7.415 7.954 3.386 1.00 1.18 H new ATOM 0 H73 DT B 5 8.146 9.510 2.926 1.00 1.18 H new ATOM 0 H6 DT B 5 8.367 8.913 0.710 1.00 0.86 H new ATOM 546 P DT B 6 8.979 8.565 -5.532 1.00 1.63 P ATOM 547 OP1 DT B 6 9.166 7.154 -5.129 1.00 1.52 O ATOM 548 OP2 DT B 6 9.886 9.178 -6.532 1.00 2.04 O ATOM 549 O5' DT B 6 7.446 8.705 -6.072 1.00 1.67 O ATOM 550 C5' DT B 6 6.345 8.212 -5.268 1.00 1.56 C ATOM 551 C4' DT B 6 5.624 9.332 -4.488 1.00 1.51 C ATOM 552 O4' DT B 6 6.673 10.199 -4.116 1.00 1.54 O ATOM 553 C3' DT B 6 4.702 10.320 -5.190 1.00 1.66 C ATOM 554 O3' DT B 6 3.313 10.145 -4.872 1.00 1.46 O ATOM 555 C2' DT B 6 5.168 11.738 -4.763 1.00 1.90 C ATOM 556 C1' DT B 6 6.220 11.474 -3.719 1.00 1.71 C ATOM 557 N1 DT B 6 7.376 12.392 -3.811 1.00 1.84 N ATOM 558 C2 DT B 6 7.452 13.488 -2.983 1.00 1.97 C ATOM 559 O2 DT B 6 6.569 13.757 -2.171 1.00 1.99 O ATOM 560 N3 DT B 6 8.572 14.271 -3.116 1.00 2.13 N ATOM 561 C4 DT B 6 9.609 14.049 -3.997 1.00 2.19 C ATOM 562 O4 DT B 6 10.560 14.817 -4.016 1.00 2.38 O ATOM 563 C5 DT B 6 9.448 12.880 -4.831 1.00 2.09 C ATOM 564 C7 DT B 6 10.513 12.475 -5.855 1.00 2.26 C ATOM 565 C6 DT B 6 8.358 12.122 -4.705 1.00 1.92 C ATOM 0 H5' DT B 6 6.720 7.469 -4.564 1.00 1.56 H new ATOM 0 H5'' DT B 6 5.628 7.706 -5.914 1.00 1.56 H new ATOM 0 H4' DT B 6 5.009 8.785 -3.774 1.00 1.51 H new ATOM 0 H3' DT B 6 4.772 10.160 -6.266 1.00 1.66 H new ATOM 0 H2' DT B 6 5.574 12.296 -5.607 1.00 1.90 H new ATOM 0 H2'' DT B 6 4.343 12.325 -4.359 1.00 1.90 H new ATOM 0 H1' DT B 6 5.826 11.579 -2.708 1.00 1.71 H new ATOM 0 H3 DT B 6 8.643 15.088 -2.510 1.00 2.13 H new ATOM 0 H71 DT B 6 11.027 13.365 -6.217 1.00 2.26 H new ATOM 0 H72 DT B 6 11.234 11.806 -5.385 1.00 2.26 H new ATOM 0 H73 DT B 6 10.037 11.965 -6.693 1.00 2.26 H new ATOM 0 H6 DT B 6 8.253 11.256 -5.342 1.00 1.92 H new ATOM 578 P DT B 7 2.511 8.802 -5.323 1.00 1.34 P ATOM 579 OP1 DT B 7 3.466 7.675 -5.364 1.00 1.56 O ATOM 580 OP2 DT B 7 1.724 9.148 -6.525 1.00 1.76 O ATOM 581 O5' DT B 7 1.480 8.513 -4.132 1.00 0.96 O ATOM 582 C5' DT B 7 2.010 8.223 -2.841 1.00 0.93 C ATOM 583 C4' DT B 7 0.954 8.471 -1.763 1.00 0.70 C ATOM 584 O4' DT B 7 1.696 8.851 -0.591 1.00 0.93 O ATOM 585 C3' DT B 7 0.066 9.708 -2.015 1.00 0.76 C ATOM 586 O3' DT B 7 -1.243 9.600 -2.572 1.00 0.68 O ATOM 587 C2' DT B 7 -0.169 10.354 -0.649 1.00 1.01 C ATOM 588 C1' DT B 7 0.892 9.697 0.260 1.00 1.23 C ATOM 589 N1 DT B 7 1.820 10.684 0.814 1.00 1.71 N ATOM 590 C2 DT B 7 2.002 10.695 2.170 1.00 2.18 C ATOM 591 O2 DT B 7 1.386 9.956 2.934 1.00 2.31 O ATOM 592 N3 DT B 7 2.906 11.601 2.640 1.00 2.66 N ATOM 593 C4 DT B 7 3.642 12.487 1.896 1.00 2.77 C ATOM 594 O4 DT B 7 4.427 13.251 2.458 1.00 3.29 O ATOM 595 C5 DT B 7 3.393 12.420 0.488 1.00 2.37 C ATOM 596 C7 DT B 7 4.120 13.317 -0.496 1.00 2.67 C ATOM 597 C6 DT B 7 2.514 11.547 0.008 1.00 1.88 C ATOM 0 H5' DT B 7 2.885 8.845 -2.652 1.00 0.93 H new ATOM 0 H5'' DT B 7 2.342 7.186 -2.802 1.00 0.93 H new ATOM 0 H4' DT B 7 0.331 7.578 -1.710 1.00 0.70 H new ATOM 0 H3' DT B 7 0.637 10.232 -2.782 1.00 0.76 H new ATOM 0 H2' DT B 7 -0.044 11.436 -0.692 1.00 1.01 H new ATOM 0 H2'' DT B 7 -1.179 10.164 -0.286 1.00 1.01 H new ATOM 0 H1' DT B 7 0.382 9.176 1.070 1.00 1.23 H new ATOM 0 H3 DT B 7 3.050 11.622 3.650 1.00 2.66 H new ATOM 0 H71 DT B 7 4.218 12.804 -1.453 1.00 2.67 H new ATOM 0 H72 DT B 7 3.555 14.238 -0.635 1.00 2.67 H new ATOM 0 H73 DT B 7 5.111 13.554 -0.109 1.00 2.67 H new ATOM 0 H6 DT B 7 2.340 11.517 -1.057 1.00 1.88 H new ATOM 610 P DT B 8 -1.906 10.893 -3.293 1.00 0.64 P ATOM 611 OP1 DT B 8 -0.968 12.037 -3.241 1.00 0.78 O ATOM 612 OP2 DT B 8 -3.277 11.046 -2.755 1.00 0.88 O ATOM 613 O5' DT B 8 -2.014 10.404 -4.830 1.00 0.68 O ATOM 614 C5' DT B 8 -1.199 9.324 -5.328 1.00 0.67 C ATOM 615 C4' DT B 8 -2.016 8.033 -5.592 1.00 0.57 C ATOM 616 O4' DT B 8 -2.795 7.673 -4.425 1.00 0.46 O ATOM 617 C3' DT B 8 -3.076 8.001 -6.707 1.00 0.64 C ATOM 618 O3' DT B 8 -3.521 6.656 -6.997 1.00 0.78 O ATOM 619 C2' DT B 8 -4.220 8.695 -5.961 1.00 0.57 C ATOM 620 C1' DT B 8 -4.206 7.743 -4.759 1.00 0.44 C ATOM 621 N1 DT B 8 -5.065 8.066 -3.590 1.00 0.46 N ATOM 622 C2 DT B 8 -6.423 8.114 -3.779 1.00 0.67 C ATOM 623 O2 DT B 8 -6.960 7.885 -4.857 1.00 0.80 O ATOM 624 N3 DT B 8 -7.180 8.416 -2.681 1.00 0.81 N ATOM 625 C4 DT B 8 -6.718 8.675 -1.410 1.00 0.75 C ATOM 626 O4 DT B 8 -7.517 8.941 -0.521 1.00 0.92 O ATOM 627 C5 DT B 8 -5.282 8.605 -1.278 1.00 0.57 C ATOM 628 C7 DT B 8 -4.593 8.849 0.091 1.00 0.63 C ATOM 629 C6 DT B 8 -4.534 8.309 -2.358 1.00 0.46 C ATOM 0 H5' DT B 8 -0.409 9.109 -4.609 1.00 0.67 H new ATOM 0 H5'' DT B 8 -0.713 9.637 -6.252 1.00 0.67 H new ATOM 0 H4' DT B 8 -1.198 7.375 -5.886 1.00 0.57 H new ATOM 0 H3' DT B 8 -2.735 8.427 -7.651 1.00 0.64 H new ATOM 0 H2' DT B 8 -4.005 9.731 -5.700 1.00 0.57 H new ATOM 0 H2'' DT B 8 -5.163 8.693 -6.508 1.00 0.57 H new ATOM 0 H1' DT B 8 -4.667 6.796 -5.038 1.00 0.44 H new ATOM 0 H3 DT B 8 -8.190 8.453 -2.817 1.00 0.81 H new ATOM 0 H71 DT B 8 -3.671 8.271 0.142 1.00 0.63 H new ATOM 0 H72 DT B 8 -4.363 9.909 0.199 1.00 0.63 H new ATOM 0 H73 DT B 8 -5.261 8.539 0.895 1.00 0.63 H new ATOM 0 H6 DT B 8 -3.461 8.262 -2.243 1.00 0.46 H new ATOM 642 P DG B 9 -3.848 5.988 -8.418 1.00 0.43 P ATOM 643 OP1 DG B 9 -4.393 7.025 -9.320 1.00 0.64 O ATOM 644 OP2 DG B 9 -4.603 4.747 -8.161 1.00 0.58 O ATOM 645 O5' DG B 9 -2.381 5.565 -8.927 1.00 0.52 O ATOM 646 C5' DG B 9 -1.540 6.398 -9.740 1.00 0.55 C ATOM 647 C4' DG B 9 -0.172 5.739 -10.035 1.00 0.51 C ATOM 648 O4' DG B 9 0.595 5.598 -8.844 1.00 0.54 O ATOM 649 C3' DG B 9 -0.061 4.364 -10.706 1.00 0.48 C ATOM 650 O3' DG B 9 1.192 4.075 -11.371 1.00 0.55 O ATOM 651 C2' DG B 9 -0.290 3.491 -9.471 1.00 0.46 C ATOM 652 C1' DG B 9 0.669 4.215 -8.488 1.00 0.47 C ATOM 653 N9 DG B 9 0.262 4.264 -7.068 1.00 0.42 N ATOM 654 C8 DG B 9 -0.993 4.293 -6.510 1.00 0.40 C ATOM 655 N7 DG B 9 -0.999 4.376 -5.203 1.00 0.42 N ATOM 656 C5 DG B 9 0.353 4.399 -4.884 1.00 0.43 C ATOM 657 C6 DG B 9 0.983 4.478 -3.626 1.00 0.48 C ATOM 658 O6 DG B 9 0.435 4.554 -2.537 1.00 0.54 O ATOM 659 N1 DG B 9 2.364 4.473 -3.725 1.00 0.49 N ATOM 660 C2 DG B 9 3.046 4.405 -4.908 1.00 0.46 C ATOM 661 N2 DG B 9 4.364 4.407 -4.854 1.00 0.50 N ATOM 662 N3 DG B 9 2.461 4.332 -6.100 1.00 0.43 N ATOM 663 C4 DG B 9 1.119 4.332 -6.010 1.00 0.41 C ATOM 0 H5' DG B 9 -1.381 7.351 -9.236 1.00 0.55 H new ATOM 0 H5'' DG B 9 -2.047 6.615 -10.680 1.00 0.55 H new ATOM 0 H4' DG B 9 0.173 6.457 -10.779 1.00 0.51 H new ATOM 0 H3' DG B 9 -0.747 4.230 -11.543 1.00 0.48 H new ATOM 0 H2' DG B 9 -1.326 3.501 -9.134 1.00 0.46 H new ATOM 0 H2'' DG B 9 -0.018 2.448 -9.635 1.00 0.46 H new ATOM 0 H1' DG B 9 1.615 3.680 -8.567 1.00 0.47 H new ATOM 0 H8 DG B 9 -1.897 4.251 -7.099 1.00 0.40 H new ATOM 0 H1 DG B 9 2.906 4.523 -2.862 1.00 0.49 H new ATOM 0 H21 DG B 9 4.910 4.357 -5.714 1.00 0.50 H new ATOM 0 H22 DG B 9 4.837 4.458 -3.952 1.00 0.50 H new ATOM 675 P DG B 10 1.800 2.601 -11.619 1.00 0.63 P ATOM 676 OP1 DG B 10 2.849 2.682 -12.661 1.00 0.85 O ATOM 677 OP2 DG B 10 0.682 1.643 -11.744 1.00 0.75 O ATOM 678 O5' DG B 10 2.521 2.379 -10.198 1.00 0.82 O ATOM 679 C5' DG B 10 3.255 1.182 -9.931 1.00 0.76 C ATOM 680 C4' DG B 10 4.645 1.439 -9.342 1.00 0.50 C ATOM 681 O4' DG B 10 4.524 2.029 -8.032 1.00 0.57 O ATOM 682 C3' DG B 10 5.436 0.125 -9.134 1.00 0.45 C ATOM 683 O3' DG B 10 6.867 -0.086 -9.084 1.00 0.65 O ATOM 684 C2' DG B 10 4.920 -0.201 -7.771 1.00 0.45 C ATOM 685 C1' DG B 10 5.138 1.142 -7.098 1.00 0.45 C ATOM 686 N9 DG B 10 4.517 1.223 -5.769 1.00 0.40 N ATOM 687 C8 DG B 10 5.143 1.280 -4.553 1.00 0.40 C ATOM 688 N7 DG B 10 4.321 1.349 -3.551 1.00 0.41 N ATOM 689 C5 DG B 10 3.066 1.338 -4.134 1.00 0.36 C ATOM 690 C6 DG B 10 1.794 1.392 -3.528 1.00 0.35 C ATOM 691 O6 DG B 10 1.556 1.454 -2.326 1.00 0.42 O ATOM 692 N1 DG B 10 0.774 1.367 -4.457 1.00 0.30 N ATOM 693 C2 DG B 10 0.967 1.290 -5.815 1.00 0.28 C ATOM 694 N2 DG B 10 -0.093 1.273 -6.597 1.00 0.28 N ATOM 695 N3 DG B 10 2.164 1.230 -6.391 1.00 0.32 N ATOM 696 C4 DG B 10 3.169 1.260 -5.490 1.00 0.35 C ATOM 0 H5' DG B 10 3.360 0.615 -10.856 1.00 0.76 H new ATOM 0 H5'' DG B 10 2.685 0.562 -9.240 1.00 0.76 H new ATOM 0 H4' DG B 10 5.160 2.090 -10.048 1.00 0.50 H new ATOM 0 H3' DG B 10 5.285 -0.428 -10.061 1.00 0.45 H new ATOM 0 H2' DG B 10 3.872 -0.501 -7.780 1.00 0.45 H new ATOM 0 H2'' DG B 10 5.478 -1.006 -7.292 1.00 0.45 H new ATOM 0 H1' DG B 10 6.186 1.361 -6.895 1.00 0.45 H new ATOM 0 H8 DG B 10 6.217 1.269 -4.439 1.00 0.40 H new ATOM 0 H1 DG B 10 -0.185 1.408 -4.113 1.00 0.30 H new ATOM 0 H21 DG B 10 0.021 1.216 -7.609 1.00 0.28 H new ATOM 0 H22 DG B 10 -1.027 1.316 -6.190 1.00 0.28 H new ATOM 708 P DG B 11 8.138 0.871 -8.789 1.00 0.55 P ATOM 709 OP1 DG B 11 7.663 2.241 -8.498 1.00 0.89 O ATOM 710 OP2 DG B 11 9.130 0.652 -9.873 1.00 0.95 O ATOM 711 O5' DG B 11 8.687 0.247 -7.420 1.00 1.13 O ATOM 712 C5' DG B 11 8.967 -1.132 -7.161 1.00 0.77 C ATOM 713 C4' DG B 11 9.323 -1.233 -5.685 1.00 0.53 C ATOM 714 O4' DG B 11 8.142 -1.008 -4.884 1.00 0.65 O ATOM 715 C3' DG B 11 9.891 -2.549 -5.150 1.00 0.44 C ATOM 716 O3' DG B 11 10.537 -2.504 -3.857 1.00 0.56 O ATOM 717 C2' DG B 11 8.569 -3.247 -4.933 1.00 0.40 C ATOM 718 C1' DG B 11 7.901 -2.189 -4.109 1.00 0.45 C ATOM 719 N9 DG B 11 6.460 -2.261 -3.918 1.00 0.40 N ATOM 720 C8 DG B 11 5.493 -2.463 -4.852 1.00 0.40 C ATOM 721 N7 DG B 11 4.285 -2.382 -4.377 1.00 0.42 N ATOM 722 C5 DG B 11 4.477 -2.117 -3.026 1.00 0.40 C ATOM 723 C6 DG B 11 3.534 -1.929 -1.994 1.00 0.43 C ATOM 724 O6 DG B 11 2.314 -1.949 -2.087 1.00 0.47 O ATOM 725 N1 DG B 11 4.154 -1.689 -0.787 1.00 0.49 N ATOM 726 C2 DG B 11 5.507 -1.631 -0.584 1.00 0.55 C ATOM 727 N2 DG B 11 5.903 -1.394 0.650 1.00 0.70 N ATOM 728 N3 DG B 11 6.399 -1.806 -1.550 1.00 0.53 N ATOM 729 C4 DG B 11 5.811 -2.045 -2.741 1.00 0.42 C ATOM 0 H5' DG B 11 9.790 -1.484 -7.783 1.00 0.77 H new ATOM 0 H5'' DG B 11 8.103 -1.754 -7.395 1.00 0.77 H new ATOM 0 H4' DG B 11 10.116 -0.489 -5.608 1.00 0.53 H new ATOM 0 H3' DG B 11 10.656 -2.960 -5.809 1.00 0.44 H new ATOM 0 H2' DG B 11 8.042 -3.456 -5.864 1.00 0.40 H new ATOM 0 H2'' DG B 11 8.671 -4.195 -4.405 1.00 0.40 H new ATOM 0 H1' DG B 11 8.298 -2.261 -3.096 1.00 0.45 H new ATOM 0 H8 DG B 11 5.708 -2.671 -5.890 1.00 0.40 H new ATOM 0 H1 DG B 11 3.554 -1.542 0.025 1.00 0.49 H new ATOM 0 H21 DG B 11 6.899 -1.339 0.864 1.00 0.70 H new ATOM 0 H22 DG B 11 5.214 -1.265 1.391 1.00 0.70 H new ATOM 741 P DC B 12 12.100 -2.702 -3.511 1.00 0.58 P ATOM 742 OP1 DC B 12 12.881 -1.662 -4.218 1.00 0.99 O ATOM 743 OP2 DC B 12 12.428 -4.138 -3.649 1.00 0.99 O ATOM 744 O5' DC B 12 12.086 -2.358 -1.913 1.00 0.62 O ATOM 745 C5' DC B 12 10.852 -2.340 -1.150 1.00 0.60 C ATOM 746 C4' DC B 12 10.494 -3.664 -0.440 1.00 0.62 C ATOM 747 O4' DC B 12 9.083 -3.589 -0.131 1.00 0.68 O ATOM 748 C3' DC B 12 10.552 -4.899 -1.308 1.00 0.64 C ATOM 749 O3' DC B 12 11.869 -5.409 -1.497 1.00 0.76 O ATOM 750 C2' DC B 12 9.599 -5.877 -0.607 1.00 0.67 C ATOM 751 C1' DC B 12 8.498 -4.906 -0.035 1.00 0.64 C ATOM 752 N1 DC B 12 7.098 -4.924 -0.576 1.00 0.56 N ATOM 753 C2 DC B 12 6.099 -4.630 0.335 1.00 0.67 C ATOM 754 O2 DC B 12 6.376 -4.373 1.500 1.00 0.85 O ATOM 755 N3 DC B 12 4.809 -4.619 -0.076 1.00 0.62 N ATOM 756 C4 DC B 12 4.473 -4.881 -1.339 1.00 0.47 C ATOM 757 N4 DC B 12 3.176 -4.835 -1.628 1.00 0.46 N ATOM 758 C5 DC B 12 5.481 -5.184 -2.297 1.00 0.39 C ATOM 759 C6 DC B 12 6.759 -5.200 -1.877 1.00 0.44 C ATOM 0 H5' DC B 12 10.034 -2.074 -1.820 1.00 0.60 H new ATOM 0 H5'' DC B 12 10.920 -1.552 -0.400 1.00 0.60 H new ATOM 0 H4' DC B 12 11.202 -3.756 0.384 1.00 0.62 H new ATOM 0 H3' DC B 12 10.249 -4.696 -2.335 1.00 0.64 H new ATOM 0 H2' DC B 12 9.180 -6.606 -1.300 1.00 0.67 H new ATOM 0 H2'' DC B 12 10.098 -6.438 0.183 1.00 0.67 H new ATOM 0 HO3' DC B 12 12.172 -5.203 -2.406 1.00 0.76 H new ATOM 0 H1' DC B 12 8.280 -5.267 0.970 1.00 0.64 H new ATOM 0 H41 DC B 12 2.858 -5.026 -2.578 1.00 0.46 H new ATOM 0 H42 DC B 12 2.499 -4.608 -0.900 1.00 0.46 H new ATOM 0 H5 DC B 12 5.229 -5.394 -3.326 1.00 0.39 H new ATOM 0 H6 DC B 12 7.541 -5.437 -2.584 1.00 0.44 H new TER 772 DC B 12