USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 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 21:sc= 0.901 USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.0158 (180deg=-0.0295) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= -2.91! (180deg=-2.91!) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DC O3' : rot -91:sc= 0.745 USER MOD Single : B 1 DG O5' : rot 21:sc= 1.02 USER MOD Single : B 5 DT C7 :methyl -30:sc= -0.013 (180deg=-0.0298) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT C7 :methyl 150:sc= -2.65! (180deg=-2.65!) USER MOD Single : B 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 12 DC O3' : rot -93:sc= 0.733 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.204 5.848 10.077 1.00 0.89 O ATOM 2 C5' DG A 1 0.275 6.437 8.787 1.00 0.79 C ATOM 3 C4' DG A 1 -0.562 5.589 7.854 1.00 0.62 C ATOM 4 O4' DG A 1 -0.491 5.986 6.500 1.00 0.65 O ATOM 5 C3' DG A 1 -0.103 4.175 7.782 1.00 0.59 C ATOM 6 O3' DG A 1 -0.291 3.428 8.988 1.00 0.76 O ATOM 7 C2' DG A 1 -0.710 3.648 6.472 1.00 0.59 C ATOM 8 C1' DG A 1 -1.216 4.946 5.845 1.00 0.58 C ATOM 9 N9 DG A 1 -0.796 5.000 4.456 1.00 0.57 N ATOM 10 C8 DG A 1 0.456 5.159 3.926 1.00 0.62 C ATOM 11 N7 DG A 1 0.490 5.141 2.619 1.00 0.60 N ATOM 12 C5 DG A 1 -0.852 4.958 2.296 1.00 0.52 C ATOM 13 C6 DG A 1 -1.460 4.857 1.051 1.00 0.48 C ATOM 14 O6 DG A 1 -0.903 4.900 -0.024 1.00 0.51 O ATOM 15 N1 DG A 1 -2.824 4.677 1.130 1.00 0.42 N ATOM 16 C2 DG A 1 -3.522 4.604 2.302 1.00 0.42 C ATOM 17 N2 DG A 1 -4.824 4.439 2.240 1.00 0.45 N ATOM 18 N3 DG A 1 -2.961 4.697 3.493 1.00 0.47 N ATOM 19 C4 DG A 1 -1.627 4.874 3.409 1.00 0.50 C ATOM 0 H5' DG A 1 1.308 6.481 8.442 1.00 0.79 H new ATOM 0 H5'' DG A 1 -0.097 7.461 8.812 1.00 0.79 H new ATOM 0 H4' DG A 1 -1.558 5.708 8.280 1.00 0.62 H new ATOM 0 H3' DG A 1 0.980 4.065 7.732 1.00 0.59 H new ATOM 0 H2' DG A 1 0.029 3.148 5.846 1.00 0.59 H new ATOM 0 H2'' DG A 1 -1.514 2.934 6.648 1.00 0.59 H new ATOM 0 HO5' DG A 1 -0.061 4.908 9.993 1.00 0.89 H new ATOM 0 H1' DG A 1 -2.300 5.026 5.929 1.00 0.58 H new ATOM 0 H8 DG A 1 1.339 5.288 4.534 1.00 0.62 H new ATOM 0 H1 DG A 1 -3.346 4.593 0.258 1.00 0.42 H new ATOM 0 H21 DG A 1 -5.372 4.381 3.098 1.00 0.45 H new ATOM 0 H22 DG A 1 -5.287 4.369 1.334 1.00 0.45 H new ATOM 32 P DG A 2 -1.324 2.252 9.318 1.00 0.60 P ATOM 33 OP1 DG A 2 -1.950 2.638 10.597 1.00 1.18 O ATOM 34 OP2 DG A 2 -0.545 1.001 9.217 1.00 0.88 O ATOM 35 O5' DG A 2 -2.503 2.236 8.186 1.00 0.53 O ATOM 36 C5' DG A 2 -3.751 2.988 8.281 1.00 0.55 C ATOM 37 C4' DG A 2 -4.854 2.546 7.304 1.00 0.50 C ATOM 38 O4' DG A 2 -4.473 2.734 5.930 1.00 0.49 O ATOM 39 C3' DG A 2 -5.250 1.059 7.397 1.00 0.53 C ATOM 40 O3' DG A 2 -6.613 0.595 7.628 1.00 0.63 O ATOM 41 C2' DG A 2 -4.734 0.539 6.086 1.00 0.51 C ATOM 42 C1' DG A 2 -5.084 1.685 5.168 1.00 0.47 C ATOM 43 N9 DG A 2 -4.517 1.635 3.805 1.00 0.45 N ATOM 44 C8 DG A 2 -5.148 1.664 2.592 1.00 0.45 C ATOM 45 N7 DG A 2 -4.337 1.632 1.568 1.00 0.45 N ATOM 46 C5 DG A 2 -3.075 1.580 2.153 1.00 0.44 C ATOM 47 C6 DG A 2 -1.787 1.530 1.556 1.00 0.45 C ATOM 48 O6 DG A 2 -1.521 1.533 0.364 1.00 0.50 O ATOM 49 N1 DG A 2 -0.794 1.488 2.514 1.00 0.43 N ATOM 50 C2 DG A 2 -1.027 1.491 3.857 1.00 0.43 C ATOM 51 N2 DG A 2 0.018 1.421 4.635 1.00 0.43 N ATOM 52 N3 DG A 2 -2.211 1.536 4.426 1.00 0.43 N ATOM 53 C4 DG A 2 -3.189 1.580 3.513 1.00 0.43 C ATOM 0 H5' DG A 2 -3.536 4.043 8.109 1.00 0.55 H new ATOM 0 H5'' DG A 2 -4.132 2.902 9.298 1.00 0.55 H new ATOM 0 H4' DG A 2 -5.691 3.177 7.604 1.00 0.50 H new ATOM 0 H3' DG A 2 -4.843 0.694 8.340 1.00 0.53 H new ATOM 0 H2' DG A 2 -3.662 0.344 6.112 1.00 0.51 H new ATOM 0 H2'' DG A 2 -5.220 -0.391 5.790 1.00 0.51 H new ATOM 0 H1' DG A 2 -6.149 1.748 4.946 1.00 0.47 H new ATOM 0 H8 DG A 2 -6.222 1.709 2.489 1.00 0.45 H new ATOM 0 H1 DG A 2 0.175 1.452 2.197 1.00 0.43 H new ATOM 0 H21 DG A 2 -0.100 1.420 5.648 1.00 0.43 H new ATOM 0 H22 DG A 2 0.953 1.368 4.230 1.00 0.43 H new ATOM 65 P DG A 3 -7.974 0.947 6.810 1.00 0.63 P ATOM 66 OP1 DG A 3 -7.799 2.314 6.263 1.00 0.64 O ATOM 67 OP2 DG A 3 -9.114 0.659 7.709 1.00 0.82 O ATOM 68 O5' DG A 3 -8.025 -0.110 5.557 1.00 0.64 O ATOM 69 C5' DG A 3 -8.909 0.093 4.432 1.00 0.51 C ATOM 70 C4' DG A 3 -8.613 -0.709 3.138 1.00 0.46 C ATOM 71 O4' DG A 3 -7.255 -0.485 2.728 1.00 0.52 O ATOM 72 C3' DG A 3 -8.823 -2.248 2.932 1.00 0.48 C ATOM 73 O3' DG A 3 -9.218 -2.767 1.623 1.00 0.59 O ATOM 74 C2' DG A 3 -7.407 -2.727 3.051 1.00 0.47 C ATOM 75 C1' DG A 3 -6.805 -1.694 2.135 1.00 0.47 C ATOM 76 N9 DG A 3 -5.356 -1.748 2.037 1.00 0.47 N ATOM 77 C8 DG A 3 -4.401 -1.858 2.997 1.00 0.52 C ATOM 78 N7 DG A 3 -3.195 -1.854 2.514 1.00 0.50 N ATOM 79 C5 DG A 3 -3.369 -1.735 1.151 1.00 0.46 C ATOM 80 C6 DG A 3 -2.426 -1.685 0.102 1.00 0.49 C ATOM 81 O6 DG A 3 -1.203 -1.715 0.188 1.00 0.54 O ATOM 82 N1 DG A 3 -3.054 -1.569 -1.127 1.00 0.53 N ATOM 83 C2 DG A 3 -4.415 -1.515 -1.313 1.00 0.53 C ATOM 84 N2 DG A 3 -4.895 -1.439 -2.533 1.00 0.63 N ATOM 85 N3 DG A 3 -5.288 -1.559 -0.325 1.00 0.48 N ATOM 86 C4 DG A 3 -4.694 -1.671 0.865 1.00 0.45 C ATOM 0 H5' DG A 3 -8.897 1.154 4.181 1.00 0.51 H new ATOM 0 H5'' DG A 3 -9.923 -0.147 4.753 1.00 0.51 H new ATOM 0 H4' DG A 3 -9.449 -0.293 2.576 1.00 0.46 H new ATOM 0 H3' DG A 3 -9.622 -2.552 3.608 1.00 0.48 H new ATOM 0 H2' DG A 3 -7.019 -2.681 4.069 1.00 0.47 H new ATOM 0 H2'' DG A 3 -7.266 -3.750 2.702 1.00 0.47 H new ATOM 0 H1' DG A 3 -7.109 -1.833 1.097 1.00 0.47 H new ATOM 0 H8 DG A 3 -4.621 -1.940 4.051 1.00 0.52 H new ATOM 0 H1 DG A 3 -2.462 -1.520 -1.956 1.00 0.53 H new ATOM 0 H21 DG A 3 -5.903 -1.398 -2.683 1.00 0.63 H new ATOM 0 H22 DG A 3 -4.260 -1.421 -3.331 1.00 0.63 H new ATOM 98 P DC A 4 -9.861 -1.941 0.374 1.00 0.54 P ATOM 99 OP1 DC A 4 -8.776 -1.300 -0.399 1.00 0.95 O ATOM 100 OP2 DC A 4 -10.973 -1.127 0.919 1.00 0.80 O ATOM 101 O5' DC A 4 -10.495 -3.154 -0.513 1.00 0.46 O ATOM 102 C5' DC A 4 -10.074 -4.537 -0.376 1.00 0.44 C ATOM 103 C4' DC A 4 -8.988 -4.951 -1.382 1.00 0.42 C ATOM 104 O4' DC A 4 -7.796 -4.142 -1.301 1.00 0.48 O ATOM 105 C3' DC A 4 -8.312 -6.301 -1.161 1.00 0.53 C ATOM 106 O3' DC A 4 -8.975 -7.587 -1.202 1.00 0.82 O ATOM 107 C2' DC A 4 -7.202 -6.211 -2.220 1.00 0.59 C ATOM 108 C1' DC A 4 -6.784 -4.739 -2.147 1.00 0.53 C ATOM 109 N1 DC A 4 -5.393 -4.711 -1.633 1.00 0.49 N ATOM 110 C2 DC A 4 -4.362 -4.613 -2.558 1.00 0.62 C ATOM 111 O2 DC A 4 -4.597 -4.530 -3.759 1.00 0.78 O ATOM 112 N3 DC A 4 -3.085 -4.616 -2.107 1.00 0.61 N ATOM 113 C4 DC A 4 -2.821 -4.714 -0.804 1.00 0.48 C ATOM 114 N4 DC A 4 -1.529 -4.736 -0.497 1.00 0.49 N ATOM 115 C5 DC A 4 -3.878 -4.813 0.167 1.00 0.42 C ATOM 116 C6 DC A 4 -5.135 -4.808 -0.304 1.00 0.41 C ATOM 0 H5' DC A 4 -10.941 -5.186 -0.502 1.00 0.44 H new ATOM 0 H5'' DC A 4 -9.700 -4.696 0.636 1.00 0.44 H new ATOM 0 H4' DC A 4 -9.586 -4.893 -2.291 1.00 0.42 H new ATOM 0 H3' DC A 4 -8.091 -6.369 -0.096 1.00 0.53 H new ATOM 0 H2' DC A 4 -6.371 -6.879 -1.993 1.00 0.59 H new ATOM 0 H2'' DC A 4 -7.566 -6.480 -3.212 1.00 0.59 H new ATOM 0 H1' DC A 4 -6.748 -4.179 -3.081 1.00 0.53 H new ATOM 0 H41 DC A 4 -1.238 -4.809 0.478 1.00 0.49 H new ATOM 0 H42 DC A 4 -0.828 -4.680 -1.236 1.00 0.49 H new ATOM 0 H5 DC A 4 -3.670 -4.888 1.224 1.00 0.42 H new ATOM 0 H6 DC A 4 -5.959 -4.883 0.390 1.00 0.41 H new ATOM 128 P DT A 5 -9.942 -8.210 -2.332 1.00 1.13 P ATOM 129 OP1 DT A 5 -10.541 -7.102 -3.105 1.00 1.32 O ATOM 130 OP2 DT A 5 -10.817 -9.193 -1.658 1.00 1.64 O ATOM 131 O5' DT A 5 -8.944 -9.032 -3.293 1.00 1.27 O ATOM 132 C5' DT A 5 -8.736 -8.681 -4.675 1.00 1.39 C ATOM 133 C4' DT A 5 -7.311 -8.975 -5.116 1.00 1.34 C ATOM 134 O4' DT A 5 -6.487 -8.306 -4.179 1.00 1.15 O ATOM 135 C3' DT A 5 -6.763 -10.397 -5.218 1.00 1.40 C ATOM 136 O3' DT A 5 -5.539 -10.506 -5.968 1.00 1.49 O ATOM 137 C2' DT A 5 -6.398 -10.598 -3.795 1.00 1.11 C ATOM 138 C1' DT A 5 -5.638 -9.295 -3.661 1.00 0.96 C ATOM 139 N1 DT A 5 -5.301 -8.910 -2.300 1.00 0.76 N ATOM 140 C2 DT A 5 -4.090 -8.312 -2.076 1.00 0.71 C ATOM 141 O2 DT A 5 -3.283 -8.066 -2.959 1.00 0.87 O ATOM 142 N3 DT A 5 -3.826 -7.969 -0.782 1.00 0.63 N ATOM 143 C4 DT A 5 -4.660 -8.167 0.296 1.00 0.67 C ATOM 144 O4 DT A 5 -4.305 -7.808 1.414 1.00 0.75 O ATOM 145 C5 DT A 5 -5.914 -8.803 -0.035 1.00 0.74 C ATOM 146 C7 DT A 5 -6.970 -9.120 1.009 1.00 0.91 C ATOM 147 C6 DT A 5 -6.184 -9.141 -1.290 1.00 0.78 C ATOM 0 H5' DT A 5 -8.951 -7.622 -4.819 1.00 1.39 H new ATOM 0 H5'' DT A 5 -9.434 -9.236 -5.302 1.00 1.39 H new ATOM 0 H4' DT A 5 -7.315 -8.662 -6.160 1.00 1.34 H new ATOM 0 H3' DT A 5 -7.463 -11.080 -5.698 1.00 1.40 H new ATOM 0 H2' DT A 5 -7.258 -10.672 -3.130 1.00 1.11 H new ATOM 0 H2'' DT A 5 -5.784 -11.482 -3.622 1.00 1.11 H new ATOM 0 H1' DT A 5 -4.687 -9.414 -4.180 1.00 0.96 H new ATOM 0 H3 DT A 5 -2.927 -7.524 -0.596 1.00 0.63 H new ATOM 0 H71 DT A 5 -6.488 -9.311 1.968 1.00 0.91 H new ATOM 0 H72 DT A 5 -7.650 -8.274 1.107 1.00 0.91 H new ATOM 0 H73 DT A 5 -7.531 -10.003 0.703 1.00 0.91 H new ATOM 0 H6 DT A 5 -7.129 -9.612 -1.516 1.00 0.78 H new ATOM 160 P DT A 6 -5.511 -11.133 -7.431 1.00 1.90 P ATOM 161 OP1 DT A 6 -5.440 -10.013 -8.392 1.00 2.20 O ATOM 162 OP2 DT A 6 -6.605 -12.127 -7.524 1.00 2.09 O ATOM 163 O5' DT A 6 -4.069 -11.890 -7.439 1.00 1.93 O ATOM 164 C5' DT A 6 -3.730 -13.092 -6.727 1.00 1.81 C ATOM 165 C4' DT A 6 -4.002 -13.029 -5.261 1.00 1.37 C ATOM 166 O4' DT A 6 -5.354 -12.904 -4.974 1.00 1.48 O ATOM 167 C3' DT A 6 -3.675 -14.319 -4.536 1.00 1.37 C ATOM 168 O3' DT A 6 -3.029 -14.203 -3.259 1.00 1.20 O ATOM 169 C2' DT A 6 -5.015 -14.961 -4.250 1.00 1.69 C ATOM 170 C1' DT A 6 -5.613 -13.690 -3.836 1.00 1.56 C ATOM 171 N1 DT A 6 -7.019 -13.628 -3.649 1.00 2.00 N ATOM 172 C2 DT A 6 -7.504 -13.634 -2.376 1.00 2.22 C ATOM 173 O2 DT A 6 -6.797 -13.752 -1.389 1.00 2.13 O ATOM 174 N3 DT A 6 -8.843 -13.508 -2.275 1.00 2.70 N ATOM 175 C4 DT A 6 -9.718 -13.382 -3.319 1.00 2.99 C ATOM 176 O4 DT A 6 -10.915 -13.258 -3.110 1.00 3.45 O ATOM 177 C5 DT A 6 -9.096 -13.397 -4.609 1.00 2.81 C ATOM 178 C7 DT A 6 -9.874 -13.243 -5.850 1.00 3.27 C ATOM 179 C6 DT A 6 -7.802 -13.517 -4.730 1.00 2.35 C ATOM 0 H5' DT A 6 -2.672 -13.306 -6.881 1.00 1.81 H new ATOM 0 H5'' DT A 6 -4.289 -13.924 -7.154 1.00 1.81 H new ATOM 0 H4' DT A 6 -3.394 -12.181 -4.947 1.00 1.37 H new ATOM 0 H3' DT A 6 -2.979 -14.861 -5.177 1.00 1.37 H new ATOM 0 H2' DT A 6 -5.488 -15.416 -5.120 1.00 1.69 H new ATOM 0 H2'' DT A 6 -4.990 -15.720 -3.468 1.00 1.69 H new ATOM 0 H1' DT A 6 -5.209 -13.420 -2.860 1.00 1.56 H new ATOM 0 H3 DT A 6 -9.239 -13.507 -1.335 1.00 2.70 H new ATOM 0 H71 DT A 6 -9.256 -12.764 -6.610 1.00 3.27 H new ATOM 0 H72 DT A 6 -10.191 -14.224 -6.205 1.00 3.27 H new ATOM 0 H73 DT A 6 -10.752 -12.627 -5.655 1.00 3.27 H new ATOM 0 H6 DT A 6 -7.357 -13.527 -5.714 1.00 2.35 H new ATOM 192 P DT A 7 -2.140 -15.458 -2.806 1.00 1.30 P ATOM 193 OP1 DT A 7 -2.416 -16.612 -3.685 1.00 1.59 O ATOM 194 OP2 DT A 7 -2.250 -15.567 -1.338 1.00 1.89 O ATOM 195 O5' DT A 7 -0.674 -14.937 -3.124 1.00 1.27 O ATOM 196 C5' DT A 7 -0.325 -14.050 -4.202 1.00 1.31 C ATOM 197 C4' DT A 7 0.109 -12.698 -3.608 1.00 1.08 C ATOM 198 O4' DT A 7 -1.009 -12.055 -2.975 1.00 0.87 O ATOM 199 C3' DT A 7 1.204 -12.749 -2.508 1.00 0.99 C ATOM 200 O3' DT A 7 2.307 -11.863 -2.635 1.00 1.12 O ATOM 201 C2' DT A 7 0.583 -12.186 -1.287 1.00 1.02 C ATOM 202 C1' DT A 7 -0.587 -11.352 -1.807 1.00 0.82 C ATOM 203 N1 DT A 7 -1.640 -11.464 -0.802 1.00 0.83 N ATOM 204 C2 DT A 7 -1.978 -10.353 -0.073 1.00 0.88 C ATOM 205 O2 DT A 7 -1.441 -9.269 -0.230 1.00 0.91 O ATOM 206 N3 DT A 7 -2.950 -10.522 0.866 1.00 1.05 N ATOM 207 C4 DT A 7 -3.617 -11.697 1.140 1.00 1.24 C ATOM 208 O4 DT A 7 -4.481 -11.719 2.013 1.00 1.48 O ATOM 209 C5 DT A 7 -3.200 -12.821 0.329 1.00 1.21 C ATOM 210 C7 DT A 7 -3.869 -14.176 0.476 1.00 1.54 C ATOM 211 C6 DT A 7 -2.243 -12.667 -0.591 1.00 0.99 C ATOM 0 H5' DT A 7 -1.176 -13.914 -4.870 1.00 1.31 H new ATOM 0 H5'' DT A 7 0.482 -14.478 -4.797 1.00 1.31 H new ATOM 0 H4' DT A 7 0.512 -12.172 -4.474 1.00 1.08 H new ATOM 0 H3' DT A 7 1.551 -13.782 -2.535 1.00 0.99 H new ATOM 0 H2' DT A 7 0.242 -12.974 -0.615 1.00 1.02 H new ATOM 0 H2'' DT A 7 1.290 -11.574 -0.728 1.00 1.02 H new ATOM 0 H1' DT A 7 -0.351 -10.306 -2.004 1.00 0.82 H new ATOM 0 H3 DT A 7 -3.208 -9.704 1.417 1.00 1.05 H new ATOM 0 H71 DT A 7 -3.841 -14.701 -0.479 1.00 1.54 H new ATOM 0 H72 DT A 7 -3.341 -14.763 1.228 1.00 1.54 H new ATOM 0 H73 DT A 7 -4.905 -14.039 0.784 1.00 1.54 H new ATOM 0 H6 DT A 7 -1.940 -13.518 -1.182 1.00 0.99 H new ATOM 224 P DT A 8 3.492 -12.189 -3.654 1.00 1.34 P ATOM 225 OP1 DT A 8 3.069 -13.242 -4.603 1.00 1.89 O ATOM 226 OP2 DT A 8 4.741 -12.324 -2.881 1.00 1.83 O ATOM 227 O5' DT A 8 3.675 -10.823 -4.456 1.00 1.12 O ATOM 228 C5' DT A 8 2.677 -9.920 -4.972 1.00 1.02 C ATOM 229 C4' DT A 8 3.287 -8.507 -4.919 1.00 0.76 C ATOM 230 O4' DT A 8 3.564 -8.145 -3.558 1.00 0.68 O ATOM 231 C3' DT A 8 4.652 -8.257 -5.607 1.00 0.68 C ATOM 232 O3' DT A 8 4.947 -6.856 -5.809 1.00 0.61 O ATOM 233 C2' DT A 8 5.594 -8.756 -4.503 1.00 0.65 C ATOM 234 C1' DT A 8 4.977 -7.920 -3.399 1.00 0.57 C ATOM 235 N1 DT A 8 5.420 -8.220 -2.019 1.00 0.59 N ATOM 236 C2 DT A 8 6.772 -8.182 -1.742 1.00 0.75 C ATOM 237 O2 DT A 8 7.630 -7.889 -2.562 1.00 0.86 O ATOM 238 N3 DT A 8 7.131 -8.478 -0.456 1.00 0.89 N ATOM 239 C4 DT A 8 6.277 -8.805 0.580 1.00 0.88 C ATOM 240 O4 DT A 8 6.744 -9.057 1.684 1.00 1.11 O ATOM 241 C5 DT A 8 4.873 -8.823 0.221 1.00 0.73 C ATOM 242 C7 DT A 8 3.786 -9.144 1.258 1.00 0.82 C ATOM 243 C6 DT A 8 4.509 -8.537 -1.043 1.00 0.60 C ATOM 0 H5' DT A 8 1.765 -9.970 -4.377 1.00 1.02 H new ATOM 0 H5'' DT A 8 2.406 -10.186 -5.994 1.00 1.02 H new ATOM 0 H4' DT A 8 2.522 -7.939 -5.449 1.00 0.76 H new ATOM 0 H3' DT A 8 4.713 -8.721 -6.591 1.00 0.68 H new ATOM 0 H2' DT A 8 5.528 -9.829 -4.326 1.00 0.65 H new ATOM 0 H2'' DT A 8 6.643 -8.527 -4.689 1.00 0.65 H new ATOM 0 H1' DT A 8 5.291 -6.882 -3.506 1.00 0.57 H new ATOM 0 H3 DT A 8 8.128 -8.455 -0.240 1.00 0.89 H new ATOM 0 H71 DT A 8 2.867 -8.620 0.995 1.00 0.82 H new ATOM 0 H72 DT A 8 3.601 -10.218 1.271 1.00 0.82 H new ATOM 0 H73 DT A 8 4.118 -8.821 2.245 1.00 0.82 H new ATOM 0 H6 DT A 8 3.460 -8.558 -1.299 1.00 0.60 H new ATOM 256 P DG A 9 6.022 -6.297 -6.873 1.00 0.65 P ATOM 257 OP1 DG A 9 6.914 -7.422 -7.247 1.00 0.82 O ATOM 258 OP2 DG A 9 6.572 -5.040 -6.322 1.00 0.76 O ATOM 259 O5' DG A 9 5.055 -5.934 -8.117 1.00 0.74 O ATOM 260 C5' DG A 9 4.476 -6.930 -8.986 1.00 0.72 C ATOM 261 C4' DG A 9 3.095 -6.538 -9.552 1.00 0.66 C ATOM 262 O4' DG A 9 2.151 -6.466 -8.488 1.00 0.60 O ATOM 263 C3' DG A 9 2.881 -5.247 -10.369 1.00 0.73 C ATOM 264 O3' DG A 9 1.838 -5.127 -11.374 1.00 0.84 O ATOM 265 C2' DG A 9 2.657 -4.270 -9.220 1.00 0.66 C ATOM 266 C1' DG A 9 1.695 -5.121 -8.367 1.00 0.53 C ATOM 267 N9 DG A 9 1.718 -4.876 -6.925 1.00 0.48 N ATOM 268 C8 DG A 9 2.760 -4.656 -6.068 1.00 0.51 C ATOM 269 N7 DG A 9 2.407 -4.511 -4.816 1.00 0.52 N ATOM 270 C5 DG A 9 1.025 -4.647 -4.875 1.00 0.49 C ATOM 271 C6 DG A 9 0.071 -4.586 -3.850 1.00 0.54 C ATOM 272 O6 DG A 9 0.261 -4.406 -2.668 1.00 0.61 O ATOM 273 N1 DG A 9 -1.213 -4.771 -4.319 1.00 0.58 N ATOM 274 C2 DG A 9 -1.545 -4.993 -5.628 1.00 0.55 C ATOM 275 N2 DG A 9 -2.829 -5.130 -5.894 1.00 0.65 N ATOM 276 N3 DG A 9 -0.643 -5.054 -6.604 1.00 0.50 N ATOM 277 C4 DG A 9 0.611 -4.870 -6.152 1.00 0.47 C ATOM 0 H5' DG A 9 4.380 -7.866 -8.436 1.00 0.72 H new ATOM 0 H5'' DG A 9 5.158 -7.116 -9.815 1.00 0.72 H new ATOM 0 H4' DG A 9 2.978 -7.334 -10.287 1.00 0.66 H new ATOM 0 H3' DG A 9 3.720 -5.116 -11.053 1.00 0.73 H new ATOM 0 H2' DG A 9 3.578 -4.020 -8.694 1.00 0.66 H new ATOM 0 H2'' DG A 9 2.212 -3.330 -9.547 1.00 0.66 H new ATOM 0 H1' DG A 9 0.694 -4.887 -8.730 1.00 0.53 H new ATOM 0 H8 DG A 9 3.788 -4.606 -6.396 1.00 0.51 H new ATOM 0 H1 DG A 9 -1.972 -4.740 -3.639 1.00 0.58 H new ATOM 0 H21 DG A 9 -3.136 -5.297 -6.852 1.00 0.65 H new ATOM 0 H22 DG A 9 -3.515 -5.069 -5.142 1.00 0.65 H new ATOM 289 P DG A 10 0.340 -5.737 -11.357 1.00 1.02 P ATOM 290 OP1 DG A 10 0.421 -7.148 -10.916 1.00 1.15 O ATOM 291 OP2 DG A 10 -0.316 -5.390 -12.639 1.00 1.29 O ATOM 292 O5' DG A 10 -0.335 -4.848 -10.194 1.00 0.97 O ATOM 293 C5' DG A 10 -0.704 -3.481 -10.427 1.00 0.82 C ATOM 294 C4' DG A 10 -2.212 -3.314 -10.315 1.00 0.68 C ATOM 295 O4' DG A 10 -2.596 -3.543 -8.949 1.00 0.74 O ATOM 296 C3' DG A 10 -2.828 -1.955 -10.664 1.00 0.62 C ATOM 297 O3' DG A 10 -4.241 -1.951 -10.943 1.00 0.71 O ATOM 298 C2' DG A 10 -2.605 -1.272 -9.338 1.00 0.61 C ATOM 299 C1' DG A 10 -3.218 -2.352 -8.471 1.00 0.64 C ATOM 300 N9 DG A 10 -2.952 -2.150 -7.048 1.00 0.61 N ATOM 301 C8 DG A 10 -3.848 -2.114 -6.027 1.00 0.66 C ATOM 302 N7 DG A 10 -3.308 -1.919 -4.864 1.00 0.64 N ATOM 303 C5 DG A 10 -1.956 -1.818 -5.138 1.00 0.56 C ATOM 304 C6 DG A 10 -0.883 -1.605 -4.258 1.00 0.51 C ATOM 305 O6 DG A 10 -0.957 -1.467 -3.043 1.00 0.54 O ATOM 306 N1 DG A 10 0.323 -1.567 -4.928 1.00 0.46 N ATOM 307 C2 DG A 10 0.475 -1.719 -6.279 1.00 0.45 C ATOM 308 N2 DG A 10 1.718 -1.680 -6.712 1.00 0.44 N ATOM 309 N3 DG A 10 -0.536 -1.917 -7.117 1.00 0.49 N ATOM 310 C4 DG A 10 -1.724 -1.957 -6.474 1.00 0.54 C ATOM 0 H5' DG A 10 -0.370 -3.171 -11.417 1.00 0.82 H new ATOM 0 H5'' DG A 10 -0.205 -2.835 -9.705 1.00 0.82 H new ATOM 0 H4' DG A 10 -2.581 -4.021 -11.058 1.00 0.68 H new ATOM 0 H3' DG A 10 -2.400 -1.527 -11.570 1.00 0.62 H new ATOM 0 H2' DG A 10 -1.553 -1.091 -9.119 1.00 0.61 H new ATOM 0 H2'' DG A 10 -3.117 -0.313 -9.257 1.00 0.61 H new ATOM 0 H1' DG A 10 -4.306 -2.369 -8.541 1.00 0.64 H new ATOM 0 H8 DG A 10 -4.911 -2.236 -6.171 1.00 0.66 H new ATOM 0 H1 DG A 10 1.165 -1.414 -4.373 1.00 0.46 H new ATOM 0 H21 DG A 10 1.915 -1.786 -7.707 1.00 0.44 H new ATOM 0 H22 DG A 10 2.484 -1.544 -6.052 1.00 0.44 H new ATOM 322 P DG A 11 -5.071 -0.612 -11.309 1.00 0.87 P ATOM 323 OP1 DG A 11 -6.325 -1.031 -11.974 1.00 1.08 O ATOM 324 OP2 DG A 11 -4.170 0.355 -11.979 1.00 1.05 O ATOM 325 O5' DG A 11 -5.489 0.039 -9.868 1.00 0.72 O ATOM 326 C5' DG A 11 -6.682 -0.381 -9.168 1.00 0.73 C ATOM 327 C4' DG A 11 -6.998 0.317 -7.824 1.00 0.65 C ATOM 328 O4' DG A 11 -5.909 0.180 -6.896 1.00 0.59 O ATOM 329 C3' DG A 11 -7.424 1.804 -7.712 1.00 0.61 C ATOM 330 O3' DG A 11 -8.315 2.167 -6.609 1.00 0.68 O ATOM 331 C2' DG A 11 -6.078 2.400 -7.380 1.00 0.56 C ATOM 332 C1' DG A 11 -5.701 1.456 -6.274 1.00 0.53 C ATOM 333 N9 DG A 11 -4.321 1.490 -5.783 1.00 0.48 N ATOM 334 C8 DG A 11 -3.154 1.450 -6.477 1.00 0.49 C ATOM 335 N7 DG A 11 -2.083 1.424 -5.728 1.00 0.47 N ATOM 336 C5 DG A 11 -2.602 1.461 -4.434 1.00 0.43 C ATOM 337 C6 DG A 11 -1.954 1.456 -3.168 1.00 0.45 C ATOM 338 O6 DG A 11 -0.759 1.406 -2.909 1.00 0.49 O ATOM 339 N1 DG A 11 -2.857 1.501 -2.132 1.00 0.46 N ATOM 340 C2 DG A 11 -4.214 1.545 -2.283 1.00 0.47 C ATOM 341 N2 DG A 11 -4.990 1.610 -1.225 1.00 0.56 N ATOM 342 N3 DG A 11 -4.827 1.551 -3.450 1.00 0.46 N ATOM 343 C4 DG A 11 -3.964 1.504 -4.477 1.00 0.43 C ATOM 0 H5' DG A 11 -6.605 -1.452 -8.982 1.00 0.73 H new ATOM 0 H5'' DG A 11 -7.533 -0.234 -9.833 1.00 0.73 H new ATOM 0 H4' DG A 11 -7.917 -0.234 -7.622 1.00 0.65 H new ATOM 0 H3' DG A 11 -7.974 2.115 -8.600 1.00 0.61 H new ATOM 0 H2' DG A 11 -5.382 2.373 -8.218 1.00 0.56 H new ATOM 0 H2'' DG A 11 -6.141 3.437 -7.051 1.00 0.56 H new ATOM 0 H1' DG A 11 -6.281 1.709 -5.387 1.00 0.53 H new ATOM 0 H8 DG A 11 -3.114 1.440 -7.556 1.00 0.49 H new ATOM 0 H1 DG A 11 -2.487 1.502 -1.182 1.00 0.46 H new ATOM 0 H21 DG A 11 -6.003 1.643 -1.337 1.00 0.56 H new ATOM 0 H22 DG A 11 -4.579 1.628 -0.292 1.00 0.56 H new ATOM 355 P DC A 12 -9.887 1.760 -6.502 1.00 0.49 P ATOM 356 OP1 DC A 12 -10.047 0.431 -7.128 1.00 0.70 O ATOM 357 OP2 DC A 12 -10.683 2.909 -6.992 1.00 0.84 O ATOM 358 O5' DC A 12 -10.200 1.615 -4.916 1.00 0.52 O ATOM 359 C5' DC A 12 -9.184 1.754 -3.902 1.00 0.49 C ATOM 360 C4' DC A 12 -9.174 3.158 -3.267 1.00 0.50 C ATOM 361 O4' DC A 12 -7.910 3.282 -2.595 1.00 0.52 O ATOM 362 C3' DC A 12 -9.152 4.300 -4.263 1.00 0.47 C ATOM 363 O3' DC A 12 -10.451 4.663 -4.722 1.00 0.58 O ATOM 364 C2' DC A 12 -8.437 5.436 -3.514 1.00 0.48 C ATOM 365 C1' DC A 12 -7.498 4.655 -2.512 1.00 0.51 C ATOM 366 N1 DC A 12 -6.010 4.670 -2.655 1.00 0.46 N ATOM 367 C2 DC A 12 -5.290 4.603 -1.471 1.00 0.50 C ATOM 368 O2 DC A 12 -5.850 4.567 -0.384 1.00 0.61 O ATOM 369 N3 DC A 12 -3.941 4.574 -1.527 1.00 0.46 N ATOM 370 C4 DC A 12 -3.295 4.611 -2.687 1.00 0.41 C ATOM 371 N4 DC A 12 -1.973 4.561 -2.599 1.00 0.41 N ATOM 372 C5 DC A 12 -4.007 4.684 -3.922 1.00 0.40 C ATOM 373 C6 DC A 12 -5.350 4.712 -3.858 1.00 0.43 C ATOM 0 H5' DC A 12 -8.207 1.550 -4.340 1.00 0.49 H new ATOM 0 H5'' DC A 12 -9.347 1.008 -3.124 1.00 0.49 H new ATOM 0 H4' DC A 12 -10.074 3.230 -2.657 1.00 0.50 H new ATOM 0 H3' DC A 12 -8.635 4.031 -5.184 1.00 0.47 H new ATOM 0 H2' DC A 12 -7.867 6.071 -4.191 1.00 0.48 H new ATOM 0 H2'' DC A 12 -9.142 6.081 -2.989 1.00 0.48 H new ATOM 0 HO3' DC A 12 -10.664 4.158 -5.534 1.00 0.58 H new ATOM 0 H1' DC A 12 -7.634 5.193 -1.574 1.00 0.51 H new ATOM 0 H41 DC A 12 -1.404 4.585 -3.445 1.00 0.41 H new ATOM 0 H42 DC A 12 -1.525 4.499 -1.685 1.00 0.41 H new ATOM 0 H5 DC A 12 -3.488 4.715 -4.869 1.00 0.40 H new ATOM 0 H6 DC A 12 -5.922 4.769 -4.773 1.00 0.43 H new TER 386 DC A 12 ATOM 387 O5' DG B 1 -2.984 -5.992 9.652 1.00 0.91 O ATOM 388 C5' DG B 1 -2.674 -6.593 8.404 1.00 0.81 C ATOM 389 C4' DG B 1 -1.596 -5.753 7.753 1.00 0.62 C ATOM 390 O4' DG B 1 -1.260 -6.164 6.443 1.00 0.65 O ATOM 391 C3' DG B 1 -2.009 -4.340 7.534 1.00 0.59 C ATOM 392 O3' DG B 1 -2.186 -3.584 8.735 1.00 0.77 O ATOM 393 C2' DG B 1 -1.043 -3.827 6.455 1.00 0.58 C ATOM 394 C1' DG B 1 -0.375 -5.128 6.021 1.00 0.59 C ATOM 395 N9 DG B 1 -0.367 -5.198 4.569 1.00 0.57 N ATOM 396 C8 DG B 1 -1.405 -5.365 3.696 1.00 0.62 C ATOM 397 N7 DG B 1 -1.049 -5.358 2.436 1.00 0.60 N ATOM 398 C5 DG B 1 0.326 -5.175 2.522 1.00 0.52 C ATOM 399 C6 DG B 1 1.276 -5.083 1.511 1.00 0.48 C ATOM 400 O6 DG B 1 1.058 -5.139 0.323 1.00 0.51 O ATOM 401 N1 DG B 1 2.555 -4.902 1.990 1.00 0.42 N ATOM 402 C2 DG B 1 2.876 -4.816 3.313 1.00 0.42 C ATOM 403 N2 DG B 1 4.138 -4.652 3.637 1.00 0.44 N ATOM 404 N3 DG B 1 1.986 -4.900 4.286 1.00 0.47 N ATOM 405 C4 DG B 1 0.739 -5.077 3.814 1.00 0.50 C ATOM 0 H5' DG B 1 -3.559 -6.640 7.770 1.00 0.81 H new ATOM 0 H5'' DG B 1 -2.329 -7.617 8.546 1.00 0.81 H new ATOM 0 H4' DG B 1 -0.773 -5.867 8.458 1.00 0.62 H new ATOM 0 H3' DG B 1 -3.028 -4.227 7.163 1.00 0.59 H new ATOM 0 H2' DG B 1 -1.565 -3.337 5.633 1.00 0.58 H new ATOM 0 H2'' DG B 1 -0.326 -3.108 6.851 1.00 0.58 H new ATOM 0 HO5' DG B 1 -2.704 -5.053 9.641 1.00 0.91 H new ATOM 0 H1' DG B 1 0.636 -5.203 6.423 1.00 0.59 H new ATOM 0 H8 DG B 1 -2.428 -5.492 4.017 1.00 0.62 H new ATOM 0 H1 DG B 1 3.312 -4.827 1.310 1.00 0.42 H new ATOM 0 H21 DG B 1 4.408 -4.584 4.618 1.00 0.44 H new ATOM 0 H22 DG B 1 4.848 -4.592 2.907 1.00 0.44 H new ATOM 418 P DG B 2 -1.295 -2.403 9.342 1.00 0.61 P ATOM 419 OP1 DG B 2 -1.076 -2.774 10.754 1.00 1.18 O ATOM 420 OP2 DG B 2 -2.008 -1.154 9.005 1.00 0.89 O ATOM 421 O5' DG B 2 0.167 -2.395 8.611 1.00 0.55 O ATOM 422 C5' DG B 2 1.331 -3.146 9.077 1.00 0.55 C ATOM 423 C4' DG B 2 2.672 -2.710 8.465 1.00 0.49 C ATOM 424 O4' DG B 2 2.713 -2.911 7.043 1.00 0.49 O ATOM 425 C3' DG B 2 3.024 -1.222 8.660 1.00 0.53 C ATOM 426 O3' DG B 2 4.259 -0.752 9.278 1.00 0.63 O ATOM 427 C2' DG B 2 2.918 -0.714 7.247 1.00 0.52 C ATOM 428 C1' DG B 2 3.526 -1.870 6.486 1.00 0.47 C ATOM 429 N9 DG B 2 3.386 -1.832 5.017 1.00 0.45 N ATOM 430 C8 DG B 2 4.347 -1.871 4.044 1.00 0.45 C ATOM 431 N7 DG B 2 3.873 -1.851 2.826 1.00 0.44 N ATOM 432 C5 DG B 2 2.496 -1.796 3.010 1.00 0.43 C ATOM 433 C6 DG B 2 1.442 -1.752 2.062 1.00 0.45 C ATOM 434 O6 DG B 2 1.541 -1.768 0.841 1.00 0.51 O ATOM 435 N1 DG B 2 0.211 -1.702 2.679 1.00 0.42 N ATOM 436 C2 DG B 2 0.038 -1.694 4.032 1.00 0.42 C ATOM 437 N2 DG B 2 -1.191 -1.619 4.466 1.00 0.44 N ATOM 438 N3 DG B 2 1.000 -1.732 4.925 1.00 0.43 N ATOM 439 C4 DG B 2 2.204 -1.782 4.342 1.00 0.43 C ATOM 0 H5' DG B 2 1.175 -4.202 8.858 1.00 0.55 H new ATOM 0 H5'' DG B 2 1.396 -3.052 10.161 1.00 0.55 H new ATOM 0 H4' DG B 2 3.384 -3.336 9.003 1.00 0.49 H new ATOM 0 H3' DG B 2 2.359 -0.851 9.439 1.00 0.53 H new ATOM 0 H2' DG B 2 1.886 -0.522 6.953 1.00 0.52 H new ATOM 0 H2'' DG B 2 3.469 0.214 7.099 1.00 0.52 H new ATOM 0 H1' DG B 2 4.609 -1.935 6.591 1.00 0.47 H new ATOM 0 H8 DG B 2 5.404 -1.914 4.263 1.00 0.45 H new ATOM 0 H1 DG B 2 -0.620 -1.669 2.089 1.00 0.42 H new ATOM 0 H21 DG B 2 -1.378 -1.609 5.469 1.00 0.44 H new ATOM 0 H22 DG B 2 -1.964 -1.570 3.802 1.00 0.44 H new ATOM 451 P DG B 3 5.802 -1.110 8.902 1.00 0.64 P ATOM 452 OP1 DG B 3 5.794 -2.482 8.339 1.00 0.64 O ATOM 453 OP2 DG B 3 6.625 -0.810 10.094 1.00 0.83 O ATOM 454 O5' DG B 3 6.222 -0.066 7.709 1.00 0.64 O ATOM 455 C5' DG B 3 7.399 -0.273 6.899 1.00 0.50 C ATOM 456 C4' DG B 3 7.498 0.512 5.565 1.00 0.46 C ATOM 457 O4' DG B 3 6.321 0.281 4.776 1.00 0.52 O ATOM 458 C3' DG B 3 7.763 2.051 5.417 1.00 0.48 C ATOM 459 O3' DG B 3 8.528 2.557 4.277 1.00 0.60 O ATOM 460 C2' DG B 3 6.374 2.527 5.109 1.00 0.47 C ATOM 461 C1' DG B 3 6.069 1.484 4.065 1.00 0.46 C ATOM 462 N9 DG B 3 4.714 1.536 3.543 1.00 0.46 N ATOM 463 C8 DG B 3 3.518 1.652 4.176 1.00 0.51 C ATOM 464 N7 DG B 3 2.508 1.644 3.358 1.00 0.50 N ATOM 465 C5 DG B 3 3.078 1.513 2.108 1.00 0.46 C ATOM 466 C6 DG B 3 2.487 1.447 0.830 1.00 0.49 C ATOM 467 O6 DG B 3 1.294 1.479 0.548 1.00 0.54 O ATOM 468 N1 DG B 3 3.449 1.324 -0.160 1.00 0.52 N ATOM 469 C2 DG B 3 4.804 1.271 0.067 1.00 0.52 C ATOM 470 N2 DG B 3 5.626 1.185 -0.956 1.00 0.63 N ATOM 471 N3 DG B 3 5.345 1.323 1.267 1.00 0.47 N ATOM 472 C4 DG B 3 4.427 1.447 2.229 1.00 0.44 C ATOM 0 H5' DG B 3 7.466 -1.336 6.669 1.00 0.50 H new ATOM 0 H5'' DG B 3 8.271 -0.022 7.503 1.00 0.50 H new ATOM 0 H4' DG B 3 8.460 0.089 5.274 1.00 0.46 H new ATOM 0 H3' DG B 3 8.327 2.365 6.295 1.00 0.48 H new ATOM 0 H2' DG B 3 5.703 2.489 5.967 1.00 0.47 H new ATOM 0 H2'' DG B 3 6.341 3.546 4.724 1.00 0.47 H new ATOM 0 H1' DG B 3 6.667 1.613 3.163 1.00 0.46 H new ATOM 0 H8 DG B 3 3.417 1.742 5.248 1.00 0.51 H new ATOM 0 H1 DG B 3 3.129 1.269 -1.127 1.00 0.52 H new ATOM 0 H21 DG B 3 6.633 1.145 -0.799 1.00 0.63 H new ATOM 0 H22 DG B 3 5.256 1.158 -1.906 1.00 0.63 H new ATOM 484 P DC B 4 9.509 1.720 3.284 1.00 0.54 P ATOM 485 OP1 DC B 4 8.701 1.071 2.230 1.00 0.96 O ATOM 486 OP2 DC B 4 10.408 0.914 4.139 1.00 0.79 O ATOM 487 O5' DC B 4 10.377 2.925 2.613 1.00 0.45 O ATOM 488 C5' DC B 4 9.939 4.310 2.604 1.00 0.43 C ATOM 489 C4' DC B 4 9.199 4.715 1.320 1.00 0.42 C ATOM 490 O4' DC B 4 8.036 3.904 1.049 1.00 0.47 O ATOM 491 C3' DC B 4 8.487 6.064 1.318 1.00 0.54 C ATOM 492 O3' DC B 4 9.135 7.349 1.463 1.00 0.81 O ATOM 493 C2' DC B 4 7.738 5.963 -0.019 1.00 0.58 C ATOM 494 C1' DC B 4 7.320 4.494 -0.063 1.00 0.53 C ATOM 495 N1 DC B 4 5.839 4.464 0.017 1.00 0.49 N ATOM 496 C2 DC B 4 5.126 4.355 -1.170 1.00 0.62 C ATOM 497 O2 DC B 4 5.705 4.260 -2.246 1.00 0.78 O ATOM 498 N3 DC B 4 3.772 4.361 -1.114 1.00 0.61 N ATOM 499 C4 DC B 4 3.135 4.470 0.051 1.00 0.48 C ATOM 500 N4 DC B 4 1.811 4.492 -0.038 1.00 0.49 N ATOM 501 C5 DC B 4 3.859 4.579 1.290 1.00 0.42 C ATOM 502 C6 DC B 4 5.201 4.574 1.211 1.00 0.41 C ATOM 0 H5' DC B 4 10.807 4.957 2.732 1.00 0.43 H new ATOM 0 H5'' DC B 4 9.285 4.481 3.459 1.00 0.43 H new ATOM 0 H4' DC B 4 10.041 4.652 0.631 1.00 0.42 H new ATOM 0 H3' DC B 4 7.959 6.140 2.269 1.00 0.54 H new ATOM 0 H2' DC B 4 6.876 6.630 -0.051 1.00 0.58 H new ATOM 0 H2'' DC B 4 8.377 6.227 -0.862 1.00 0.58 H new ATOM 0 H1' DC B 4 7.564 3.929 -0.963 1.00 0.53 H new ATOM 0 H41 DC B 4 1.244 4.573 0.806 1.00 0.49 H new ATOM 0 H42 DC B 4 1.360 4.428 -0.951 1.00 0.49 H new ATOM 0 H5 DC B 4 3.348 4.661 2.238 1.00 0.42 H new ATOM 0 H6 DC B 4 5.784 4.659 2.116 1.00 0.41 H new ATOM 514 P DT B 5 10.394 7.963 0.663 1.00 1.13 P ATOM 515 OP1 DT B 5 11.194 6.849 0.111 1.00 1.33 O ATOM 516 OP2 DT B 5 11.032 8.956 1.557 1.00 1.64 O ATOM 517 O5' DT B 5 9.726 8.775 -0.559 1.00 1.26 O ATOM 518 C5' DT B 5 9.934 8.412 -1.938 1.00 1.38 C ATOM 519 C4' DT B 5 8.705 8.694 -2.782 1.00 1.35 C ATOM 520 O4' DT B 5 7.637 8.037 -2.126 1.00 1.15 O ATOM 521 C3' DT B 5 8.214 10.115 -3.058 1.00 1.41 C ATOM 522 O3' DT B 5 7.264 10.217 -4.134 1.00 1.49 O ATOM 523 C2' DT B 5 7.445 10.333 -1.806 1.00 1.12 C ATOM 524 C1' DT B 5 6.675 9.031 -1.888 1.00 0.96 C ATOM 525 N1 DT B 5 5.953 8.655 -0.684 1.00 0.77 N ATOM 526 C2 DT B 5 4.729 8.058 -0.825 1.00 0.71 C ATOM 527 O2 DT B 5 4.217 7.802 -1.904 1.00 0.86 O ATOM 528 N3 DT B 5 4.093 7.726 0.337 1.00 0.63 N ATOM 529 C4 DT B 5 4.571 7.938 1.612 1.00 0.66 C ATOM 530 O4 DT B 5 3.901 7.588 2.579 1.00 0.75 O ATOM 531 C5 DT B 5 5.869 8.570 1.661 1.00 0.74 C ATOM 532 C7 DT B 5 6.567 8.900 2.966 1.00 0.91 C ATOM 533 C6 DT B 5 6.497 8.900 0.540 1.00 0.78 C ATOM 0 H5' DT B 5 10.185 7.353 -2.002 1.00 1.38 H new ATOM 0 H5'' DT B 5 10.784 8.966 -2.336 1.00 1.38 H new ATOM 0 H4' DT B 5 9.019 8.364 -3.772 1.00 1.35 H new ATOM 0 H3' DT B 5 9.028 10.791 -3.320 1.00 1.41 H new ATOM 0 H2' DT B 5 8.071 10.415 -0.917 1.00 1.12 H new ATOM 0 H2'' DT B 5 6.810 11.219 -1.832 1.00 1.12 H new ATOM 0 H1' DT B 5 5.917 9.148 -2.663 1.00 0.96 H new ATOM 0 H3 DT B 5 3.180 7.280 0.253 1.00 0.63 H new ATOM 0 H71 DT B 5 5.822 9.103 3.736 1.00 0.91 H new ATOM 0 H72 DT B 5 7.185 8.056 3.272 1.00 0.91 H new ATOM 0 H73 DT B 5 7.197 9.779 2.830 1.00 0.91 H new ATOM 0 H6 DT B 5 7.465 9.375 0.600 1.00 0.78 H new ATOM 546 P DT B 6 7.671 10.830 -5.548 1.00 1.90 P ATOM 547 OP1 DT B 6 7.886 9.701 -6.475 1.00 2.20 O ATOM 548 OP2 DT B 6 8.745 11.827 -5.321 1.00 2.09 O ATOM 549 O5' DT B 6 6.297 11.584 -5.987 1.00 1.93 O ATOM 550 C5' DT B 6 5.765 12.794 -5.420 1.00 1.82 C ATOM 551 C4' DT B 6 5.591 12.744 -3.937 1.00 1.37 C ATOM 552 O4' DT B 6 6.798 12.626 -3.262 1.00 1.48 O ATOM 553 C3' DT B 6 5.067 14.041 -3.353 1.00 1.37 C ATOM 554 O3' DT B 6 4.072 13.936 -2.324 1.00 1.20 O ATOM 555 C2' DT B 6 6.264 14.688 -2.692 1.00 1.70 C ATOM 556 C1' DT B 6 6.711 13.422 -2.106 1.00 1.56 C ATOM 557 N1 DT B 6 7.998 13.363 -1.511 1.00 2.00 N ATOM 558 C2 DT B 6 8.084 13.383 -0.151 1.00 2.21 C ATOM 559 O2 DT B 6 7.116 13.509 0.582 1.00 2.12 O ATOM 560 N3 DT B 6 9.333 13.259 0.342 1.00 2.70 N ATOM 561 C4 DT B 6 10.479 13.127 -0.397 1.00 2.99 C ATOM 562 O4 DT B 6 11.559 13.007 0.159 1.00 3.44 O ATOM 563 C5 DT B 6 10.267 13.126 -1.814 1.00 2.81 C ATOM 564 C7 DT B 6 11.374 12.959 -2.765 1.00 3.27 C ATOM 565 C6 DT B 6 9.066 13.245 -2.312 1.00 2.35 C ATOM 0 H5' DT B 6 4.801 13.006 -5.882 1.00 1.82 H new ATOM 0 H5'' DT B 6 6.428 13.622 -5.670 1.00 1.82 H new ATOM 0 H4' DT B 6 4.917 11.897 -3.810 1.00 1.37 H new ATOM 0 H3' DT B 6 4.592 14.577 -4.175 1.00 1.37 H new ATOM 0 H2' DT B 6 6.974 15.134 -3.389 1.00 1.70 H new ATOM 0 H2'' DT B 6 6.011 15.455 -1.960 1.00 1.70 H new ATOM 0 H1' DT B 6 6.037 13.161 -1.290 1.00 1.56 H new ATOM 0 H3 DT B 6 9.434 13.264 1.357 1.00 2.70 H new ATOM 0 H71 DT B 6 11.007 12.471 -3.668 1.00 3.27 H new ATOM 0 H72 DT B 6 11.784 13.936 -3.021 1.00 3.27 H new ATOM 0 H73 DT B 6 12.153 12.346 -2.312 1.00 3.27 H new ATOM 0 H6 DT B 6 8.931 13.248 -3.384 1.00 2.35 H new ATOM 578 P DT B 7 3.090 15.194 -2.165 1.00 1.31 P ATOM 579 OP1 DT B 7 3.615 16.340 -2.934 1.00 1.59 O ATOM 580 OP2 DT B 7 2.761 15.317 -0.732 1.00 1.89 O ATOM 581 O5' DT B 7 1.782 14.667 -2.898 1.00 1.26 O ATOM 582 C5' DT B 7 1.765 13.770 -4.020 1.00 1.31 C ATOM 583 C4' DT B 7 1.174 12.424 -3.570 1.00 1.07 C ATOM 584 O4' DT B 7 2.056 11.789 -2.629 1.00 0.87 O ATOM 585 C3' DT B 7 -0.195 12.480 -2.842 1.00 0.98 C ATOM 586 O3' DT B 7 -1.214 11.592 -3.281 1.00 1.12 O ATOM 587 C2' DT B 7 0.033 11.931 -1.487 1.00 1.01 C ATOM 588 C1' DT B 7 1.307 11.090 -1.636 1.00 0.82 C ATOM 589 N1 DT B 7 2.004 11.217 -0.359 1.00 0.83 N ATOM 590 C2 DT B 7 2.117 10.115 0.447 1.00 0.88 C ATOM 591 O2 DT B 7 1.659 9.026 0.145 1.00 0.90 O ATOM 592 N3 DT B 7 2.766 10.292 1.630 1.00 1.05 N ATOM 593 C4 DT B 7 3.318 11.472 2.077 1.00 1.24 C ATOM 594 O4 DT B 7 3.890 11.507 3.162 1.00 1.48 O ATOM 595 C5 DT B 7 3.173 12.595 1.169 1.00 1.21 C ATOM 596 C7 DT B 7 3.830 13.966 1.494 1.00 1.53 C ATOM 597 C6 DT B 7 2.523 12.423 0.004 1.00 0.99 C ATOM 0 H5' DT B 7 2.775 13.629 -4.405 1.00 1.31 H new ATOM 0 H5'' DT B 7 1.170 14.191 -4.831 1.00 1.31 H new ATOM 0 H4' DT B 7 1.043 11.891 -4.512 1.00 1.07 H new ATOM 0 H3' DT B 7 -0.515 13.513 -2.980 1.00 0.98 H new ATOM 0 H2' DT B 7 0.163 12.725 -0.751 1.00 1.01 H new ATOM 0 H2'' DT B 7 -0.809 11.324 -1.156 1.00 1.01 H new ATOM 0 H1' DT B 7 1.147 10.043 -1.893 1.00 0.82 H new ATOM 0 H3 DT B 7 2.851 9.479 2.240 1.00 1.05 H new ATOM 0 H71 DT B 7 4.084 14.477 0.565 1.00 1.53 H new ATOM 0 H72 DT B 7 3.132 14.578 2.066 1.00 1.53 H new ATOM 0 H73 DT B 7 4.736 13.806 2.079 1.00 1.53 H new ATOM 0 H6 DT B 7 2.409 13.265 -0.663 1.00 0.99 H new ATOM 610 P DT B 8 -2.044 11.908 -4.609 1.00 1.35 P ATOM 611 OP1 DT B 8 -1.358 12.953 -5.401 1.00 1.89 O ATOM 612 OP2 DT B 8 -3.466 12.047 -4.241 1.00 1.84 O ATOM 613 O5' DT B 8 -1.984 10.533 -5.417 1.00 1.12 O ATOM 614 C5' DT B 8 -0.878 9.626 -5.605 1.00 1.02 C ATOM 615 C4' DT B 8 -1.480 8.213 -5.722 1.00 0.76 C ATOM 616 O4' DT B 8 -2.145 7.865 -4.499 1.00 0.68 O ATOM 617 C3' DT B 8 -2.579 7.955 -6.780 1.00 0.68 C ATOM 618 O3' DT B 8 -2.804 6.551 -7.047 1.00 0.61 O ATOM 619 C2' DT B 8 -3.806 8.463 -6.010 1.00 0.65 C ATOM 620 C1' DT B 8 -3.541 7.640 -4.763 1.00 0.57 C ATOM 621 N1 DT B 8 -4.372 7.954 -3.580 1.00 0.59 N ATOM 622 C2 DT B 8 -5.746 7.912 -3.712 1.00 0.75 C ATOM 623 O2 DT B 8 -6.325 7.612 -4.747 1.00 0.86 O ATOM 624 N3 DT B 8 -6.471 8.218 -2.595 1.00 0.89 N ATOM 625 C4 DT B 8 -5.962 8.558 -1.358 1.00 0.88 C ATOM 626 O4 DT B 8 -6.732 8.820 -0.441 1.00 1.10 O ATOM 627 C5 DT B 8 -4.515 8.575 -1.287 1.00 0.72 C ATOM 628 C7 DT B 8 -3.783 8.909 0.022 1.00 0.82 C ATOM 629 C6 DT B 8 -3.790 8.280 -2.382 1.00 0.60 C ATOM 0 H5' DT B 8 -0.184 9.683 -4.766 1.00 1.02 H new ATOM 0 H5'' DT B 8 -0.315 9.883 -6.503 1.00 1.02 H new ATOM 0 H4' DT B 8 -0.595 7.639 -5.998 1.00 0.76 H new ATOM 0 H3' DT B 8 -2.344 8.410 -7.742 1.00 0.68 H new ATOM 0 H2' DT B 8 -3.796 9.539 -5.833 1.00 0.65 H new ATOM 0 H2'' DT B 8 -4.754 8.228 -6.495 1.00 0.65 H new ATOM 0 H1' DT B 8 -3.808 6.600 -4.947 1.00 0.57 H new ATOM 0 H3 DT B 8 -7.487 8.193 -2.684 1.00 0.89 H new ATOM 0 H71 DT B 8 -2.828 8.385 0.049 1.00 0.82 H new ATOM 0 H72 DT B 8 -3.609 9.984 0.078 1.00 0.82 H new ATOM 0 H73 DT B 8 -4.392 8.596 0.870 1.00 0.82 H new ATOM 0 H6 DT B 8 -2.712 8.301 -2.315 1.00 0.60 H new ATOM 642 P DG B 9 -3.516 5.983 -8.376 1.00 0.65 P ATOM 643 OP1 DG B 9 -4.257 7.100 -9.008 1.00 0.82 O ATOM 644 OP2 DG B 9 -4.207 4.728 -8.000 1.00 0.77 O ATOM 645 O5' DG B 9 -2.225 5.608 -9.276 1.00 0.75 O ATOM 646 C5' DG B 9 -1.414 6.596 -9.943 1.00 0.72 C ATOM 647 C4' DG B 9 0.073 6.202 -10.071 1.00 0.66 C ATOM 648 O4' DG B 9 0.659 6.140 -8.775 1.00 0.60 O ATOM 649 C3' DG B 9 0.517 4.903 -10.777 1.00 0.72 C ATOM 650 O3' DG B 9 1.810 4.775 -11.427 1.00 0.84 O ATOM 651 C2' DG B 9 0.390 3.937 -9.603 1.00 0.67 C ATOM 652 C1' DG B 9 1.057 4.797 -8.514 1.00 0.54 C ATOM 653 N9 DG B 9 0.609 4.568 -7.140 1.00 0.48 N ATOM 654 C8 DG B 9 -0.642 4.353 -6.626 1.00 0.51 C ATOM 655 N7 DG B 9 -0.672 4.221 -5.324 1.00 0.51 N ATOM 656 C5 DG B 9 0.664 4.357 -4.973 1.00 0.48 C ATOM 657 C6 DG B 9 1.275 4.308 -3.716 1.00 0.54 C ATOM 658 O6 DG B 9 0.741 4.139 -2.634 1.00 0.61 O ATOM 659 N1 DG B 9 2.638 4.491 -3.781 1.00 0.57 N ATOM 660 C2 DG B 9 3.343 4.701 -4.939 1.00 0.55 C ATOM 661 N2 DG B 9 4.648 4.838 -4.813 1.00 0.64 N ATOM 662 N3 DG B 9 2.771 4.750 -6.137 1.00 0.49 N ATOM 663 C4 DG B 9 1.439 4.570 -6.074 1.00 0.46 C ATOM 0 H5' DG B 9 -1.485 7.538 -9.398 1.00 0.72 H new ATOM 0 H5'' DG B 9 -1.820 6.773 -10.939 1.00 0.72 H new ATOM 0 H4' DG B 9 0.405 6.993 -10.744 1.00 0.66 H new ATOM 0 H3' DG B 9 -0.082 4.764 -11.677 1.00 0.72 H new ATOM 0 H2' DG B 9 -0.646 3.691 -9.370 1.00 0.67 H new ATOM 0 H2'' DG B 9 0.911 2.995 -9.774 1.00 0.67 H new ATOM 0 H1' DG B 9 2.120 4.560 -8.565 1.00 0.54 H new ATOM 0 H8 DG B 9 -1.527 4.297 -7.242 1.00 0.51 H new ATOM 0 H1 DG B 9 3.161 4.469 -2.906 1.00 0.57 H new ATOM 0 H21 DG B 9 5.226 4.996 -5.638 1.00 0.64 H new ATOM 0 H22 DG B 9 5.080 4.786 -3.890 1.00 0.64 H new ATOM 675 P DG B 10 3.236 5.389 -10.973 1.00 1.02 P ATOM 676 OP1 DG B 10 3.030 6.803 -10.591 1.00 1.14 O ATOM 677 OP2 DG B 10 4.242 5.030 -12.003 1.00 1.30 O ATOM 678 O5' DG B 10 3.537 4.511 -9.656 1.00 0.96 O ATOM 679 C5' DG B 10 3.958 3.142 -9.757 1.00 0.82 C ATOM 680 C4' DG B 10 5.364 2.979 -9.201 1.00 0.68 C ATOM 681 O4' DG B 10 5.328 3.222 -7.785 1.00 0.73 O ATOM 682 C3' DG B 10 6.052 1.617 -9.338 1.00 0.63 C ATOM 683 O3' DG B 10 7.485 1.614 -9.189 1.00 0.70 O ATOM 684 C2' DG B 10 5.448 0.946 -8.133 1.00 0.62 C ATOM 685 C1' DG B 10 5.778 2.035 -7.133 1.00 0.64 C ATOM 686 N9 DG B 10 5.102 1.848 -5.850 1.00 0.61 N ATOM 687 C8 DG B 10 5.659 1.823 -4.610 1.00 0.67 C ATOM 688 N7 DG B 10 4.798 1.637 -3.657 1.00 0.64 N ATOM 689 C5 DG B 10 3.586 1.533 -4.317 1.00 0.55 C ATOM 690 C6 DG B 10 2.302 1.326 -3.792 1.00 0.51 C ATOM 691 O6 DG B 10 2.012 1.198 -2.608 1.00 0.53 O ATOM 692 N1 DG B 10 1.347 1.281 -4.789 1.00 0.46 N ATOM 693 C2 DG B 10 1.601 1.419 -6.125 1.00 0.45 C ATOM 694 N2 DG B 10 0.541 1.371 -6.906 1.00 0.44 N ATOM 695 N3 DG B 10 2.815 1.610 -6.630 1.00 0.48 N ATOM 696 C4 DG B 10 3.759 1.657 -5.665 1.00 0.53 C ATOM 0 H5' DG B 10 3.932 2.823 -10.799 1.00 0.82 H new ATOM 0 H5'' DG B 10 3.267 2.501 -9.210 1.00 0.82 H new ATOM 0 H4' DG B 10 5.937 3.680 -9.808 1.00 0.68 H new ATOM 0 H3' DG B 10 5.908 1.178 -10.325 1.00 0.63 H new ATOM 0 H2' DG B 10 4.378 0.764 -8.233 1.00 0.62 H new ATOM 0 H2'' DG B 10 5.913 -0.011 -7.896 1.00 0.62 H new ATOM 0 H1' DG B 10 6.838 2.051 -6.878 1.00 0.64 H new ATOM 0 H8 DG B 10 6.718 1.946 -4.435 1.00 0.67 H new ATOM 0 H1 DG B 10 0.378 1.133 -4.507 1.00 0.46 H new ATOM 0 H21 DG B 10 0.647 1.466 -7.916 1.00 0.44 H new ATOM 0 H22 DG B 10 -0.386 1.239 -6.501 1.00 0.44 H new ATOM 708 P DG B 11 8.385 0.273 -9.280 1.00 0.87 P ATOM 709 OP1 DG B 11 9.780 0.687 -9.549 1.00 1.08 O ATOM 710 OP2 DG B 11 7.722 -0.702 -10.177 1.00 1.05 O ATOM 711 O5' DG B 11 8.357 -0.363 -7.773 1.00 0.72 O ATOM 712 C5' DG B 11 9.293 0.062 -6.756 1.00 0.73 C ATOM 713 C4' DG B 11 9.194 -0.620 -5.371 1.00 0.65 C ATOM 714 O4' DG B 11 7.878 -0.476 -4.813 1.00 0.60 O ATOM 715 C3' DG B 11 9.565 -2.105 -5.127 1.00 0.61 C ATOM 716 O3' DG B 11 10.093 -2.455 -3.806 1.00 0.68 O ATOM 717 C2' DG B 11 8.183 -2.704 -5.193 1.00 0.55 C ATOM 718 C1' DG B 11 7.498 -1.744 -4.265 1.00 0.54 C ATOM 719 N9 DG B 11 6.033 -1.777 -4.203 1.00 0.48 N ATOM 720 C8 DG B 11 5.123 -1.747 -5.212 1.00 0.48 C ATOM 721 N7 DG B 11 3.878 -1.716 -4.810 1.00 0.46 N ATOM 722 C5 DG B 11 3.991 -1.738 -3.421 1.00 0.43 C ATOM 723 C6 DG B 11 2.997 -1.725 -2.404 1.00 0.44 C ATOM 724 O6 DG B 11 1.782 -1.672 -2.513 1.00 0.48 O ATOM 725 N1 DG B 11 3.556 -1.757 -1.149 1.00 0.46 N ATOM 726 C2 DG B 11 4.895 -1.802 -0.890 1.00 0.47 C ATOM 727 N2 DG B 11 5.324 -1.854 0.350 1.00 0.56 N ATOM 728 N3 DG B 11 5.826 -1.814 -1.823 1.00 0.46 N ATOM 729 C4 DG B 11 5.306 -1.781 -3.059 1.00 0.44 C ATOM 0 H5' DG B 11 9.171 1.136 -6.613 1.00 0.73 H new ATOM 0 H5'' DG B 11 10.301 -0.096 -7.138 1.00 0.73 H new ATOM 0 H4' DG B 11 10.009 -0.065 -4.906 1.00 0.65 H new ATOM 0 H3' DG B 11 10.348 -2.422 -5.816 1.00 0.61 H new ATOM 0 H2' DG B 11 7.763 -2.697 -6.199 1.00 0.55 H new ATOM 0 H2'' DG B 11 8.148 -3.735 -4.841 1.00 0.55 H new ATOM 0 H1' DG B 11 7.793 -1.982 -3.243 1.00 0.54 H new ATOM 0 H8 DG B 11 5.403 -1.749 -6.255 1.00 0.48 H new ATOM 0 H1 DG B 11 2.922 -1.746 -0.350 1.00 0.46 H new ATOM 0 H21 DG B 11 6.325 -1.888 0.542 1.00 0.56 H new ATOM 0 H22 DG B 11 4.656 -1.861 1.121 1.00 0.56 H new ATOM 741 P DC B 12 11.563 -2.046 -3.243 1.00 0.49 P ATOM 742 OP1 DC B 12 11.901 -0.720 -3.806 1.00 0.69 O ATOM 743 OP2 DC B 12 12.466 -3.197 -3.465 1.00 0.86 O ATOM 744 O5' DC B 12 11.394 -1.886 -1.637 1.00 0.53 O ATOM 745 C5' DC B 12 10.121 -2.015 -0.967 1.00 0.49 C ATOM 746 C4' DC B 12 9.922 -3.416 -0.348 1.00 0.49 C ATOM 747 O4' DC B 12 8.516 -3.533 -0.079 1.00 0.51 O ATOM 748 C3' DC B 12 10.193 -4.569 -1.296 1.00 0.48 C ATOM 749 O3' DC B 12 11.569 -4.926 -1.347 1.00 0.59 O ATOM 750 C2' DC B 12 9.290 -5.695 -0.782 1.00 0.49 C ATOM 751 C1' DC B 12 8.098 -4.908 -0.109 1.00 0.51 C ATOM 752 N1 DC B 12 6.719 -4.923 -0.684 1.00 0.46 N ATOM 753 C2 DC B 12 5.681 -4.848 0.233 1.00 0.50 C ATOM 754 O2 DC B 12 5.893 -4.801 1.435 1.00 0.62 O ATOM 755 N3 DC B 12 4.409 -4.824 -0.221 1.00 0.46 N ATOM 756 C4 DC B 12 4.133 -4.873 -1.522 1.00 0.41 C ATOM 757 N4 DC B 12 2.846 -4.813 -1.827 1.00 0.41 N ATOM 758 C5 DC B 12 5.180 -4.957 -2.488 1.00 0.42 C ATOM 759 C6 DC B 12 6.442 -4.981 -2.028 1.00 0.44 C ATOM 0 H5' DC B 12 9.318 -1.817 -1.677 1.00 0.49 H new ATOM 0 H5'' DC B 12 10.047 -1.261 -0.184 1.00 0.49 H new ATOM 0 H4' DC B 12 10.602 -3.482 0.501 1.00 0.49 H new ATOM 0 H3' DC B 12 9.970 -4.316 -2.332 1.00 0.48 H new ATOM 0 H2' DC B 12 8.944 -6.338 -1.592 1.00 0.49 H new ATOM 0 H2'' DC B 12 9.808 -6.334 -0.067 1.00 0.49 H new ATOM 0 HO3' DC B 12 12.003 -4.451 -2.086 1.00 0.59 H new ATOM 0 H1' DC B 12 7.952 -5.441 0.831 1.00 0.51 H new ATOM 0 H41 DC B 12 2.551 -4.845 -2.803 1.00 0.41 H new ATOM 0 H42 DC B 12 2.149 -4.735 -1.086 1.00 0.41 H new ATOM 0 H5 DC B 12 4.967 -5.000 -3.546 1.00 0.42 H new ATOM 0 H6 DC B 12 7.258 -5.047 -2.732 1.00 0.44 H new TER 772 DC B 12