USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=4 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 DA O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl 150:sc=-0.00172 (180deg=-0.00172) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.122 (180deg=-0.122) USER MOD Single : A 7 DT C7 :methyl 150:sc= -4.01! (180deg=-4.01!) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DA O5' : rot 180:sc= 0 USER MOD Single : B 5 DT C7 :methyl 150:sc=-0.00148 (180deg=-0.00148) USER MOD Single : B 6 DT C7 :methyl 150:sc= -0.143 (180deg=-0.143) USER MOD Single : B 7 DT C7 :methyl 150:sc= -3.97! (180deg=-3.97!) USER MOD Single : B 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 12 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 13.181 9.377 0.990 1.00 0.40 O ATOM 2 C5' DA A 1 12.107 8.607 1.537 1.00 0.00 C ATOM 3 C4' DA A 1 11.137 9.496 2.331 1.00 0.00 C ATOM 4 O4' DA A 1 10.491 10.457 1.459 1.00 0.00 O ATOM 5 C3' DA A 1 10.041 8.682 3.022 1.00 0.00 C ATOM 6 O3' DA A 1 10.025 8.976 4.427 1.00 0.00 O ATOM 7 C2' DA A 1 8.746 9.108 2.371 1.00 0.00 C ATOM 8 C1' DA A 1 9.055 10.372 1.603 1.00 0.00 C ATOM 9 N9 DA A 1 8.381 10.356 0.297 1.00 0.00 N ATOM 10 C8 DA A 1 7.255 10.990 -0.056 1.00 0.00 C ATOM 11 N7 DA A 1 6.826 10.834 -1.264 1.00 0.00 N ATOM 12 C5 DA A 1 7.797 9.977 -1.795 1.00 0.00 C ATOM 13 C6 DA A 1 7.962 9.397 -3.058 1.00 0.00 C ATOM 14 N6 DA A 1 7.119 9.603 -4.072 1.00 0.00 N ATOM 15 N1 DA A 1 9.030 8.601 -3.239 1.00 0.00 N ATOM 16 C2 DA A 1 9.889 8.386 -2.241 1.00 0.00 C ATOM 17 N3 DA A 1 9.831 8.885 -1.006 1.00 0.00 N ATOM 18 C4 DA A 1 8.752 9.679 -0.849 1.00 0.00 C ATOM 0 H5' DA A 1 12.507 7.829 2.187 1.00 0.00 H new ATOM 0 H5'' DA A 1 11.569 8.105 0.733 1.00 0.00 H new ATOM 0 H4' DA A 1 11.738 10.003 3.086 1.00 0.00 H new ATOM 0 H3' DA A 1 10.201 7.609 2.921 1.00 0.00 H new ATOM 0 H2' DA A 1 8.371 8.330 1.706 1.00 0.00 H new ATOM 0 H2'' DA A 1 7.974 9.287 3.120 1.00 0.00 H new ATOM 0 HO5' DA A 1 13.785 8.788 0.491 1.00 0.40 H new ATOM 0 H1' DA A 1 8.688 11.249 2.137 1.00 0.00 H new ATOM 0 H8 DA A 1 6.722 11.612 0.648 1.00 0.00 H new ATOM 0 H61 DA A 1 7.286 9.155 -4.973 1.00 0.00 H new ATOM 0 H62 DA A 1 6.308 10.208 -3.946 1.00 0.00 H new ATOM 0 H2 DA A 1 10.724 7.736 -2.458 1.00 0.00 H new ATOM 31 P DA A 2 9.038 8.194 5.436 1.00 0.00 P ATOM 32 OP1 DA A 2 9.412 8.557 6.820 1.00 0.00 O ATOM 33 OP2 DA A 2 9.004 6.771 5.033 1.00 0.00 O ATOM 34 O5' DA A 2 7.606 8.844 5.111 1.00 0.00 O ATOM 35 C5' DA A 2 7.280 10.177 5.522 1.00 0.00 C ATOM 36 C4' DA A 2 5.900 10.579 5.001 1.00 0.00 C ATOM 37 O4' DA A 2 5.895 10.591 3.557 1.00 0.00 O ATOM 38 C3' DA A 2 4.803 9.607 5.464 1.00 0.00 C ATOM 39 O3' DA A 2 3.877 10.254 6.349 1.00 0.00 O ATOM 40 C2' DA A 2 4.115 9.141 4.210 1.00 0.00 C ATOM 41 C1' DA A 2 4.716 9.928 3.062 1.00 0.00 C ATOM 42 N9 DA A 2 5.037 9.037 1.934 1.00 0.00 N ATOM 43 C8 DA A 2 5.712 7.860 1.911 1.00 0.00 C ATOM 44 N7 DA A 2 5.834 7.267 0.774 1.00 0.00 N ATOM 45 C5 DA A 2 5.157 8.149 -0.074 1.00 0.00 C ATOM 46 C6 DA A 2 4.898 8.129 -1.446 1.00 0.00 C ATOM 47 N6 DA A 2 5.300 7.146 -2.242 1.00 0.00 N ATOM 48 N1 DA A 2 4.201 9.155 -1.961 1.00 0.00 N ATOM 49 C2 DA A 2 3.780 10.148 -1.174 1.00 0.00 C ATOM 50 N3 DA A 2 3.971 10.268 0.136 1.00 0.00 N ATOM 51 C4 DA A 2 4.672 9.227 0.625 1.00 0.00 C ATOM 0 H5' DA A 2 8.032 10.872 5.149 1.00 0.00 H new ATOM 0 H5'' DA A 2 7.297 10.242 6.610 1.00 0.00 H new ATOM 0 H4' DA A 2 5.693 11.571 5.401 1.00 0.00 H new ATOM 0 H3' DA A 2 5.223 8.771 6.024 1.00 0.00 H new ATOM 0 H2' DA A 2 4.262 8.071 4.064 1.00 0.00 H new ATOM 0 H2'' DA A 2 3.040 9.310 4.273 1.00 0.00 H new ATOM 0 H1' DA A 2 4.005 10.665 2.690 1.00 0.00 H new ATOM 0 H8 DA A 2 6.131 7.437 2.812 1.00 0.00 H new ATOM 0 H61 DA A 2 5.086 7.177 -3.239 1.00 0.00 H new ATOM 0 H62 DA A 2 5.823 6.360 -1.857 1.00 0.00 H new ATOM 0 H2 DA A 2 3.224 10.940 -1.654 1.00 0.00 H new ATOM 63 P DG A 3 3.320 9.499 7.664 1.00 0.00 P ATOM 64 OP1 DG A 3 3.624 10.341 8.841 1.00 0.00 O ATOM 65 OP2 DG A 3 3.776 8.091 7.629 1.00 0.00 O ATOM 66 O5' DG A 3 1.727 9.514 7.436 1.00 0.00 O ATOM 67 C5' DG A 3 1.196 9.396 6.118 1.00 0.00 C ATOM 68 C4' DG A 3 -0.305 9.627 6.074 1.00 0.00 C ATOM 69 O4' DG A 3 -0.806 9.446 4.727 1.00 0.00 O ATOM 70 C3' DG A 3 -1.021 8.644 6.982 1.00 0.00 C ATOM 71 O3' DG A 3 -1.995 9.331 7.785 1.00 0.00 O ATOM 72 C2' DG A 3 -1.667 7.661 6.035 1.00 0.00 C ATOM 73 C1' DG A 3 -1.791 8.397 4.712 1.00 0.00 C ATOM 74 N9 DG A 3 -1.595 7.495 3.565 1.00 0.00 N ATOM 75 C8 DG A 3 -2.312 7.410 2.426 1.00 0.00 C ATOM 76 N7 DG A 3 -1.953 6.530 1.557 1.00 0.00 N ATOM 77 C5 DG A 3 -0.855 5.942 2.182 1.00 0.00 C ATOM 78 C6 DG A 3 -0.013 4.895 1.730 1.00 0.00 C ATOM 79 O6 DG A 3 -0.080 4.278 0.670 1.00 0.00 O ATOM 80 N1 DG A 3 0.979 4.599 2.658 1.00 0.00 N ATOM 81 C2 DG A 3 1.140 5.237 3.877 1.00 0.00 C ATOM 82 N2 DG A 3 2.161 4.836 4.643 1.00 0.00 N ATOM 83 N3 DG A 3 0.346 6.222 4.304 1.00 0.00 N ATOM 84 C4 DG A 3 -0.624 6.526 3.415 1.00 0.00 C ATOM 0 H5' DG A 3 1.419 8.403 5.727 1.00 0.00 H new ATOM 0 H5'' DG A 3 1.691 10.115 5.465 1.00 0.00 H new ATOM 0 H4' DG A 3 -0.493 10.647 6.408 1.00 0.00 H new ATOM 0 H3' DG A 3 -0.354 8.144 7.684 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.061 6.761 5.929 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.644 7.346 6.402 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.794 8.808 4.598 1.00 0.00 H new ATOM 0 H8 DG A 3 -3.158 8.058 2.249 1.00 0.00 H new ATOM 0 H1 DG A 3 1.638 3.856 2.424 1.00 0.00 H new ATOM 0 H21 DG A 3 2.322 5.275 5.550 1.00 0.00 H new ATOM 0 H22 DG A 3 2.779 4.091 4.320 1.00 0.00 H new ATOM 96 P DG A 4 -3.203 8.546 8.505 1.00 0.00 P ATOM 97 OP1 DG A 4 -3.891 9.490 9.413 1.00 0.00 O ATOM 98 OP2 DG A 4 -2.681 7.264 9.032 1.00 0.00 O ATOM 99 O5' DG A 4 -4.186 8.222 7.267 1.00 0.00 O ATOM 100 C5' DG A 4 -4.944 9.265 6.640 1.00 0.00 C ATOM 101 C4' DG A 4 -5.773 8.740 5.471 1.00 0.00 C ATOM 102 O4' DG A 4 -4.956 8.056 4.502 1.00 0.00 O ATOM 103 C3' DG A 4 -6.830 7.759 5.947 1.00 0.00 C ATOM 104 O3' DG A 4 -8.125 8.371 5.979 1.00 0.00 O ATOM 105 C2' DG A 4 -6.791 6.622 4.954 1.00 0.00 C ATOM 106 C1' DG A 4 -5.730 6.989 3.930 1.00 0.00 C ATOM 107 N9 DG A 4 -4.884 5.826 3.616 1.00 0.00 N ATOM 108 C8 DG A 4 -4.087 5.109 4.440 1.00 0.00 C ATOM 109 N7 DG A 4 -3.454 4.104 3.939 1.00 0.00 N ATOM 110 C5 DG A 4 -3.874 4.142 2.606 1.00 0.00 C ATOM 111 C6 DG A 4 -3.534 3.288 1.529 1.00 0.00 C ATOM 112 O6 DG A 4 -2.783 2.320 1.545 1.00 0.00 O ATOM 113 N1 DG A 4 -4.173 3.662 0.357 1.00 0.00 N ATOM 114 C2 DG A 4 -5.037 4.729 0.227 1.00 0.00 C ATOM 115 N2 DG A 4 -5.559 4.922 -0.989 1.00 0.00 N ATOM 116 N3 DG A 4 -5.363 5.544 1.239 1.00 0.00 N ATOM 117 C4 DG A 4 -4.750 5.194 2.396 1.00 0.00 C ATOM 0 H5' DG A 4 -4.268 10.043 6.285 1.00 0.00 H new ATOM 0 H5'' DG A 4 -5.604 9.727 7.375 1.00 0.00 H new ATOM 0 H4' DG A 4 -6.239 9.613 5.014 1.00 0.00 H new ATOM 0 H3' DG A 4 -6.635 7.416 6.963 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.546 5.682 5.448 1.00 0.00 H new ATOM 0 H2'' DG A 4 -7.762 6.488 4.477 1.00 0.00 H new ATOM 0 H1' DG A 4 -6.184 7.305 2.991 1.00 0.00 H new ATOM 0 H8 DG A 4 -3.984 5.370 5.483 1.00 0.00 H new ATOM 0 H1 DG A 4 -3.989 3.103 -0.476 1.00 0.00 H new ATOM 0 H21 DG A 4 -6.205 5.695 -1.150 1.00 0.00 H new ATOM 0 H22 DG A 4 -5.311 4.297 -1.756 1.00 0.00 H new ATOM 129 P DT A 5 -9.308 7.743 6.875 1.00 0.00 P ATOM 130 OP1 DT A 5 -10.264 8.828 7.193 1.00 0.00 O ATOM 131 OP2 DT A 5 -8.695 6.960 7.972 1.00 0.00 O ATOM 132 O5' DT A 5 -10.022 6.722 5.854 1.00 0.00 O ATOM 133 C5' DT A 5 -10.968 7.227 4.906 1.00 0.00 C ATOM 134 C4' DT A 5 -11.053 6.369 3.652 1.00 0.00 C ATOM 135 O4' DT A 5 -9.742 5.915 3.237 1.00 0.00 O ATOM 136 C3' DT A 5 -11.924 5.133 3.886 1.00 0.00 C ATOM 137 O3' DT A 5 -13.060 5.112 3.007 1.00 0.00 O ATOM 138 C2' DT A 5 -11.022 3.967 3.561 1.00 0.00 C ATOM 139 C1' DT A 5 -9.878 4.572 2.764 1.00 0.00 C ATOM 140 N1 DT A 5 -8.644 3.789 2.902 1.00 0.00 N ATOM 141 C2 DT A 5 -8.070 3.340 1.731 1.00 0.00 C ATOM 142 O2 DT A 5 -8.549 3.590 0.628 1.00 0.00 O ATOM 143 N3 DT A 5 -6.934 2.586 1.865 1.00 0.00 N ATOM 144 C4 DT A 5 -6.321 2.243 3.050 1.00 0.00 C ATOM 145 O4 DT A 5 -5.309 1.561 3.043 1.00 0.00 O ATOM 146 C5 DT A 5 -6.988 2.755 4.230 1.00 0.00 C ATOM 147 C7 DT A 5 -6.422 2.442 5.613 1.00 0.00 C ATOM 148 C6 DT A 5 -8.109 3.498 4.123 1.00 0.00 C ATOM 0 H5' DT A 5 -10.691 8.244 4.628 1.00 0.00 H new ATOM 0 H5'' DT A 5 -11.952 7.281 5.373 1.00 0.00 H new ATOM 0 H4' DT A 5 -11.493 6.995 2.876 1.00 0.00 H new ATOM 0 H3' DT A 5 -12.314 5.111 4.903 1.00 0.00 H new ATOM 0 H2' DT A 5 -10.660 3.482 4.468 1.00 0.00 H new ATOM 0 H2'' DT A 5 -11.549 3.208 2.983 1.00 0.00 H new ATOM 0 H1' DT A 5 -10.084 4.564 1.694 1.00 0.00 H new ATOM 0 H3 DT A 5 -6.501 2.246 1.006 1.00 0.00 H new ATOM 0 H71 DT A 5 -6.658 3.258 6.296 1.00 0.00 H new ATOM 0 H72 DT A 5 -6.863 1.517 5.986 1.00 0.00 H new ATOM 0 H73 DT A 5 -5.340 2.327 5.546 1.00 0.00 H new ATOM 0 H6 DT A 5 -8.590 3.868 5.017 1.00 0.00 H new ATOM 161 P DT A 6 -14.165 6.283 3.000 1.00 0.00 P ATOM 162 OP1 DT A 6 -13.498 7.568 3.309 1.00 0.00 O ATOM 163 OP2 DT A 6 -15.324 5.837 3.806 1.00 0.00 O ATOM 164 O5' DT A 6 -14.604 6.307 1.450 1.00 0.00 O ATOM 165 C5' DT A 6 -15.616 5.420 0.949 1.00 0.00 C ATOM 166 C4' DT A 6 -15.067 4.476 -0.136 1.00 0.00 C ATOM 167 O4' DT A 6 -14.305 5.224 -1.122 1.00 0.00 O ATOM 168 C3' DT A 6 -14.144 3.409 0.457 1.00 0.00 C ATOM 169 O3' DT A 6 -14.525 2.103 -0.001 1.00 0.00 O ATOM 170 C2' DT A 6 -12.763 3.758 -0.039 1.00 0.00 C ATOM 171 C1' DT A 6 -12.964 4.692 -1.227 1.00 0.00 C ATOM 172 N1 DT A 6 -11.955 5.776 -1.242 1.00 0.00 N ATOM 173 C2 DT A 6 -11.063 5.790 -2.302 1.00 0.00 C ATOM 174 O2 DT A 6 -11.083 4.937 -3.187 1.00 0.00 O ATOM 175 N3 DT A 6 -10.142 6.818 -2.309 1.00 0.00 N ATOM 176 C4 DT A 6 -10.031 7.821 -1.364 1.00 0.00 C ATOM 177 O4 DT A 6 -9.164 8.687 -1.471 1.00 0.00 O ATOM 178 C5 DT A 6 -10.999 7.730 -0.294 1.00 0.00 C ATOM 179 C7 DT A 6 -10.993 8.784 0.810 1.00 0.00 C ATOM 180 C6 DT A 6 -11.912 6.735 -0.260 1.00 0.00 C ATOM 0 H5' DT A 6 -16.440 6.004 0.539 1.00 0.00 H new ATOM 0 H5'' DT A 6 -16.022 4.831 1.771 1.00 0.00 H new ATOM 0 H4' DT A 6 -15.929 3.995 -0.599 1.00 0.00 H new ATOM 0 H3' DT A 6 -14.193 3.389 1.546 1.00 0.00 H new ATOM 0 H2' DT A 6 -12.179 4.243 0.743 1.00 0.00 H new ATOM 0 H2'' DT A 6 -12.217 2.862 -0.335 1.00 0.00 H new ATOM 0 H1' DT A 6 -12.837 4.150 -2.164 1.00 0.00 H new ATOM 0 H3 DT A 6 -9.480 6.840 -3.085 1.00 0.00 H new ATOM 0 H71 DT A 6 -12.004 8.913 1.195 1.00 0.00 H new ATOM 0 H72 DT A 6 -10.336 8.461 1.618 1.00 0.00 H new ATOM 0 H73 DT A 6 -10.634 9.731 0.407 1.00 0.00 H new ATOM 0 H6 DT A 6 -12.621 6.693 0.554 1.00 0.00 H new ATOM 193 P DT A 7 -14.496 0.825 0.986 1.00 0.00 P ATOM 194 OP1 DT A 7 -15.881 0.312 1.109 1.00 0.00 O ATOM 195 OP2 DT A 7 -13.730 1.186 2.199 1.00 0.00 O ATOM 196 O5' DT A 7 -13.632 -0.255 0.160 1.00 0.00 O ATOM 197 C5' DT A 7 -13.384 -0.074 -1.235 1.00 0.00 C ATOM 198 C4' DT A 7 -11.878 -0.103 -1.548 1.00 0.00 C ATOM 199 O4' DT A 7 -11.098 0.595 -0.535 1.00 0.00 O ATOM 200 C3' DT A 7 -11.373 -1.535 -1.585 1.00 0.00 C ATOM 201 O3' DT A 7 -10.621 -1.734 -2.776 1.00 0.00 O ATOM 202 C2' DT A 7 -10.497 -1.688 -0.370 1.00 0.00 C ATOM 203 C1' DT A 7 -10.065 -0.290 -0.022 1.00 0.00 C ATOM 204 N1 DT A 7 -9.893 -0.149 1.437 1.00 0.00 N ATOM 205 C2 DT A 7 -8.605 -0.180 1.938 1.00 0.00 C ATOM 206 O2 DT A 7 -7.621 -0.262 1.211 1.00 0.00 O ATOM 207 N3 DT A 7 -8.480 -0.093 3.309 1.00 0.00 N ATOM 208 C4 DT A 7 -9.517 0.036 4.216 1.00 0.00 C ATOM 209 O4 DT A 7 -9.287 0.136 5.422 1.00 0.00 O ATOM 210 C5 DT A 7 -10.830 0.064 3.603 1.00 0.00 C ATOM 211 C7 DT A 7 -12.067 0.204 4.489 1.00 0.00 C ATOM 212 C6 DT A 7 -10.974 -0.029 2.260 1.00 0.00 C ATOM 0 H5' DT A 7 -13.806 0.877 -1.560 1.00 0.00 H new ATOM 0 H5'' DT A 7 -13.889 -0.857 -1.800 1.00 0.00 H new ATOM 0 H4' DT A 7 -11.756 0.388 -2.513 1.00 0.00 H new ATOM 0 H3' DT A 7 -12.183 -2.265 -1.579 1.00 0.00 H new ATOM 0 H2' DT A 7 -11.042 -2.149 0.454 1.00 0.00 H new ATOM 0 H2'' DT A 7 -9.638 -2.325 -0.580 1.00 0.00 H new ATOM 0 H1' DT A 7 -9.100 -0.043 -0.465 1.00 0.00 H new ATOM 0 H3 DT A 7 -7.534 -0.127 3.690 1.00 0.00 H new ATOM 0 H71 DT A 7 -12.852 0.723 3.939 1.00 0.00 H new ATOM 0 H72 DT A 7 -12.420 -0.785 4.779 1.00 0.00 H new ATOM 0 H73 DT A 7 -11.812 0.775 5.382 1.00 0.00 H new ATOM 0 H6 DT A 7 -11.965 -0.008 1.832 1.00 0.00 H new ATOM 225 P DT A 8 -11.347 -2.165 -4.139 1.00 0.00 P ATOM 226 OP1 DT A 8 -10.802 -1.340 -5.237 1.00 0.00 O ATOM 227 OP2 DT A 8 -12.805 -2.214 -3.901 1.00 0.00 O ATOM 228 O5' DT A 8 -10.809 -3.668 -4.300 1.00 0.00 O ATOM 229 C5' DT A 8 -9.642 -4.081 -3.576 1.00 0.00 C ATOM 230 C4' DT A 8 -8.829 -5.103 -4.352 1.00 0.00 C ATOM 231 O4' DT A 8 -9.615 -6.294 -4.587 1.00 0.00 O ATOM 232 C3' DT A 8 -8.397 -4.546 -5.703 1.00 0.00 C ATOM 233 O3' DT A 8 -7.006 -4.778 -5.916 1.00 0.00 O ATOM 234 C2' DT A 8 -9.213 -5.301 -6.727 1.00 0.00 C ATOM 235 C1' DT A 8 -9.729 -6.542 -6.003 1.00 0.00 C ATOM 236 N1 DT A 8 -11.127 -6.865 -6.380 1.00 0.00 N ATOM 237 C2 DT A 8 -11.360 -8.121 -6.915 1.00 0.00 C ATOM 238 O2 DT A 8 -10.460 -8.944 -7.083 1.00 0.00 O ATOM 239 N3 DT A 8 -12.668 -8.406 -7.251 1.00 0.00 N ATOM 240 C4 DT A 8 -13.752 -7.561 -7.104 1.00 0.00 C ATOM 241 O4 DT A 8 -14.876 -7.924 -7.439 1.00 0.00 O ATOM 242 C5 DT A 8 -13.421 -6.273 -6.540 1.00 0.00 C ATOM 243 C7 DT A 8 -14.522 -5.239 -6.325 1.00 0.00 C ATOM 244 C6 DT A 8 -12.155 -5.966 -6.201 1.00 0.00 C ATOM 0 H5' DT A 8 -9.940 -4.506 -2.618 1.00 0.00 H new ATOM 0 H5'' DT A 8 -9.022 -3.211 -3.360 1.00 0.00 H new ATOM 0 H4' DT A 8 -7.948 -5.341 -3.756 1.00 0.00 H new ATOM 0 H3' DT A 8 -8.556 -3.469 -5.766 1.00 0.00 H new ATOM 0 H2' DT A 8 -10.037 -4.692 -7.098 1.00 0.00 H new ATOM 0 H2'' DT A 8 -8.605 -5.574 -7.589 1.00 0.00 H new ATOM 0 H1' DT A 8 -9.135 -7.410 -6.290 1.00 0.00 H new ATOM 0 H3 DT A 8 -12.852 -9.328 -7.646 1.00 0.00 H new ATOM 0 H71 DT A 8 -14.267 -4.608 -5.473 1.00 0.00 H new ATOM 0 H72 DT A 8 -14.620 -4.621 -7.218 1.00 0.00 H new ATOM 0 H73 DT A 8 -15.466 -5.748 -6.130 1.00 0.00 H new ATOM 0 H6 DT A 8 -11.941 -4.995 -5.780 1.00 0.00 H new ATOM 257 P DA A 9 -6.237 -4.087 -7.147 1.00 0.00 P ATOM 258 OP1 DA A 9 -7.147 -3.100 -7.778 1.00 0.00 O ATOM 259 OP2 DA A 9 -5.620 -5.152 -7.969 1.00 0.00 O ATOM 260 O5' DA A 9 -5.069 -3.283 -6.391 1.00 0.00 O ATOM 261 C5' DA A 9 -5.386 -2.137 -5.600 1.00 0.00 C ATOM 262 C4' DA A 9 -4.699 -2.176 -4.234 1.00 0.00 C ATOM 263 O4' DA A 9 -4.830 -0.910 -3.562 1.00 0.00 O ATOM 264 C3' DA A 9 -5.293 -3.246 -3.320 1.00 0.00 C ATOM 265 O3' DA A 9 -4.236 -4.062 -2.804 1.00 0.00 O ATOM 266 C2' DA A 9 -5.974 -2.485 -2.202 1.00 0.00 C ATOM 267 C1' DA A 9 -5.352 -1.104 -2.238 1.00 0.00 C ATOM 268 N9 DA A 9 -6.322 -0.064 -1.911 1.00 0.00 N ATOM 269 C8 DA A 9 -6.317 0.767 -0.860 1.00 0.00 C ATOM 270 N7 DA A 9 -7.258 1.639 -0.782 1.00 0.00 N ATOM 271 C5 DA A 9 -7.998 1.356 -1.935 1.00 0.00 C ATOM 272 C6 DA A 9 -9.156 1.917 -2.473 1.00 0.00 C ATOM 273 N6 DA A 9 -9.801 2.928 -1.894 1.00 0.00 N ATOM 274 N1 DA A 9 -9.624 1.400 -3.624 1.00 0.00 N ATOM 275 C2 DA A 9 -8.990 0.383 -4.211 1.00 0.00 C ATOM 276 N3 DA A 9 -7.880 -0.225 -3.788 1.00 0.00 N ATOM 277 C4 DA A 9 -7.435 0.315 -2.632 1.00 0.00 C ATOM 0 H5' DA A 9 -6.466 -2.080 -5.461 1.00 0.00 H new ATOM 0 H5'' DA A 9 -5.084 -1.235 -6.132 1.00 0.00 H new ATOM 0 H4' DA A 9 -3.652 -2.407 -4.428 1.00 0.00 H new ATOM 0 H3' DA A 9 -5.994 -3.901 -3.838 1.00 0.00 H new ATOM 0 H2' DA A 9 -7.052 -2.437 -2.356 1.00 0.00 H new ATOM 0 H2'' DA A 9 -5.810 -2.967 -1.238 1.00 0.00 H new ATOM 0 H1' DA A 9 -4.562 -1.033 -1.490 1.00 0.00 H new ATOM 0 H8 DA A 9 -5.548 0.706 -0.104 1.00 0.00 H new ATOM 0 H61 DA A 9 -10.645 3.307 -2.323 1.00 0.00 H new ATOM 0 H62 DA A 9 -9.451 3.323 -1.021 1.00 0.00 H new ATOM 0 H2 DA A 9 -9.422 0.012 -5.128 1.00 0.00 H new ATOM 289 P DA A 10 -4.518 -5.522 -2.202 1.00 0.00 P ATOM 290 OP1 DA A 10 -4.946 -6.402 -3.312 1.00 0.00 O ATOM 291 OP2 DA A 10 -5.388 -5.368 -1.013 1.00 0.00 O ATOM 292 O5' DA A 10 -3.058 -5.979 -1.704 1.00 0.00 O ATOM 293 C5' DA A 10 -1.875 -5.526 -2.376 1.00 0.00 C ATOM 294 C4' DA A 10 -0.763 -5.142 -1.348 1.00 0.00 C ATOM 295 O4' DA A 10 -0.944 -3.796 -0.840 1.00 0.00 O ATOM 296 C3' DA A 10 -0.745 -6.079 -0.125 1.00 0.00 C ATOM 297 O3' DA A 10 0.538 -6.704 0.007 1.00 0.00 O ATOM 298 C2' DA A 10 -1.018 -5.181 1.071 1.00 0.00 C ATOM 299 C1' DA A 10 -0.729 -3.787 0.592 1.00 0.00 C ATOM 300 N9 DA A 10 -1.582 -2.784 1.246 1.00 0.00 N ATOM 301 C8 DA A 10 -2.370 -1.864 0.672 1.00 0.00 C ATOM 302 N7 DA A 10 -2.957 -1.006 1.441 1.00 0.00 N ATOM 303 C5 DA A 10 -2.500 -1.407 2.701 1.00 0.00 C ATOM 304 C6 DA A 10 -2.730 -0.924 3.995 1.00 0.00 C ATOM 305 N6 DA A 10 -3.492 0.132 4.255 1.00 0.00 N ATOM 306 N1 DA A 10 -2.128 -1.560 5.011 1.00 0.00 N ATOM 307 C2 DA A 10 -1.341 -2.610 4.773 1.00 0.00 C ATOM 308 N3 DA A 10 -1.047 -3.148 3.593 1.00 0.00 N ATOM 309 C4 DA A 10 -1.664 -2.495 2.591 1.00 0.00 C ATOM 0 H5' DA A 10 -2.113 -4.664 -2.999 1.00 0.00 H new ATOM 0 H5'' DA A 10 -1.507 -6.308 -3.041 1.00 0.00 H new ATOM 0 H4' DA A 10 0.173 -5.226 -1.900 1.00 0.00 H new ATOM 0 H3' DA A 10 -1.482 -6.877 -0.214 1.00 0.00 H new ATOM 0 H2' DA A 10 -2.051 -5.276 1.407 1.00 0.00 H new ATOM 0 H2'' DA A 10 -0.383 -5.447 1.916 1.00 0.00 H new ATOM 0 H1' DA A 10 0.294 -3.507 0.842 1.00 0.00 H new ATOM 0 H8 DA A 10 -2.510 -1.840 -0.399 1.00 0.00 H new ATOM 0 H61 DA A 10 -3.625 0.440 5.218 1.00 0.00 H new ATOM 0 H62 DA A 10 -3.944 0.635 3.491 1.00 0.00 H new ATOM 0 H2 DA A 10 -0.891 -3.076 5.637 1.00 0.00 H new ATOM 321 P DG A 11 1.137 -7.635 -1.167 1.00 0.00 P ATOM 322 OP1 DG A 11 0.015 -8.379 -1.784 1.00 0.00 O ATOM 323 OP2 DG A 11 2.293 -8.375 -0.616 1.00 0.00 O ATOM 324 O5' DG A 11 1.686 -6.562 -2.242 1.00 0.00 O ATOM 325 C5' DG A 11 2.025 -6.991 -3.564 1.00 0.00 C ATOM 326 C4' DG A 11 2.415 -5.834 -4.484 1.00 0.00 C ATOM 327 O4' DG A 11 1.362 -4.842 -4.573 1.00 0.00 O ATOM 328 C3' DG A 11 3.680 -5.106 -3.992 1.00 0.00 C ATOM 329 O3' DG A 11 4.674 -5.009 -5.020 1.00 0.00 O ATOM 330 C2' DG A 11 3.203 -3.713 -3.694 1.00 0.00 C ATOM 331 C1' DG A 11 1.997 -3.558 -4.583 1.00 0.00 C ATOM 332 N9 DG A 11 1.108 -2.468 -4.161 1.00 0.00 N ATOM 333 C8 DG A 11 0.280 -1.759 -4.936 1.00 0.00 C ATOM 334 N7 DG A 11 -0.447 -0.852 -4.377 1.00 0.00 N ATOM 335 C5 DG A 11 -0.054 -0.957 -3.042 1.00 0.00 C ATOM 336 C6 DG A 11 -0.488 -0.217 -1.910 1.00 0.00 C ATOM 337 O6 DG A 11 -1.334 0.673 -1.864 1.00 0.00 O ATOM 338 N1 DG A 11 0.166 -0.628 -0.756 1.00 0.00 N ATOM 339 C2 DG A 11 1.119 -1.634 -0.700 1.00 0.00 C ATOM 340 N2 DG A 11 1.646 -1.889 0.492 1.00 0.00 N ATOM 341 N3 DG A 11 1.529 -2.336 -1.761 1.00 0.00 N ATOM 342 C4 DG A 11 0.906 -1.950 -2.896 1.00 0.00 C ATOM 0 H5' DG A 11 1.177 -7.522 -3.997 1.00 0.00 H new ATOM 0 H5'' DG A 11 2.851 -7.700 -3.510 1.00 0.00 H new ATOM 0 H4' DG A 11 2.597 -6.288 -5.458 1.00 0.00 H new ATOM 0 H3' DG A 11 4.128 -5.631 -3.149 1.00 0.00 H new ATOM 0 H2' DG A 11 2.944 -3.594 -2.642 1.00 0.00 H new ATOM 0 H2'' DG A 11 3.967 -2.970 -3.921 1.00 0.00 H new ATOM 0 H1' DG A 11 2.280 -3.264 -5.594 1.00 0.00 H new ATOM 0 H8 DG A 11 0.222 -1.941 -5.999 1.00 0.00 H new ATOM 0 H1 DG A 11 -0.072 -0.155 0.116 1.00 0.00 H new ATOM 0 H21 DG A 11 2.352 -2.619 0.592 1.00 0.00 H new ATOM 0 H22 DG A 11 1.345 -1.355 1.307 1.00 0.00 H new ATOM 354 P DG A 12 5.280 -6.283 -5.786 1.00 0.00 P ATOM 355 OP1 DG A 12 4.389 -7.443 -5.568 1.00 0.00 O ATOM 356 OP2 DG A 12 6.722 -6.383 -5.465 1.00 0.00 O ATOM 357 O5' DG A 12 5.135 -5.807 -7.321 1.00 0.00 O ATOM 358 C5' DG A 12 3.926 -5.177 -7.785 1.00 0.00 C ATOM 359 C4' DG A 12 4.147 -3.734 -8.254 1.00 0.00 C ATOM 360 O4' DG A 12 3.464 -2.792 -7.408 1.00 0.00 O ATOM 361 C3' DG A 12 5.614 -3.355 -8.253 1.00 0.00 C ATOM 362 O3' DG A 12 6.147 -3.378 -9.578 1.00 0.00 O ATOM 363 C2' DG A 12 5.680 -1.971 -7.662 1.00 0.00 C ATOM 364 C1' DG A 12 4.237 -1.582 -7.347 1.00 0.00 C ATOM 365 N9 DG A 12 4.065 -0.921 -6.027 1.00 0.00 N ATOM 366 C8 DG A 12 4.761 -1.040 -4.855 1.00 0.00 C ATOM 367 N7 DG A 12 4.301 -0.416 -3.822 1.00 0.00 N ATOM 368 C5 DG A 12 3.167 0.205 -4.346 1.00 0.00 C ATOM 369 C6 DG A 12 2.221 1.041 -3.709 1.00 0.00 C ATOM 370 O6 DG A 12 2.196 1.408 -2.539 1.00 0.00 O ATOM 371 N1 DG A 12 1.229 1.452 -4.588 1.00 0.00 N ATOM 372 C2 DG A 12 1.155 1.107 -5.925 1.00 0.00 C ATOM 373 N2 DG A 12 0.123 1.600 -6.611 1.00 0.00 N ATOM 374 N3 DG A 12 2.045 0.323 -6.535 1.00 0.00 N ATOM 375 C4 DG A 12 3.019 -0.094 -5.693 1.00 0.00 C ATOM 0 H5' DG A 12 3.188 -5.184 -6.983 1.00 0.00 H new ATOM 0 H5'' DG A 12 3.510 -5.761 -8.606 1.00 0.00 H new ATOM 0 H4' DG A 12 3.751 -3.693 -9.269 1.00 0.00 H new ATOM 0 H3' DG A 12 6.210 -4.060 -7.674 1.00 0.00 H new ATOM 0 H2' DG A 12 6.293 -1.960 -6.761 1.00 0.00 H new ATOM 0 H2'' DG A 12 6.130 -1.268 -8.363 1.00 0.00 H new ATOM 0 HO3' DG A 12 7.094 -3.129 -9.554 1.00 0.00 H new ATOM 0 H1' DG A 12 3.906 -0.841 -8.074 1.00 0.00 H new ATOM 0 H8 DG A 12 5.661 -1.634 -4.796 1.00 0.00 H new ATOM 0 H1 DG A 12 0.496 2.057 -4.218 1.00 0.00 H new ATOM 0 H21 DG A 12 0.017 1.379 -7.601 1.00 0.00 H new ATOM 0 H22 DG A 12 -0.560 2.198 -6.145 1.00 0.00 H new TER 388 DG A 12 ATOM 389 O5' DA B 1 -12.950 -2.419 7.614 1.00 0.00 O ATOM 390 C5' DA B 1 -11.825 -1.552 7.438 1.00 0.00 C ATOM 391 C4' DA B 1 -10.632 -2.016 8.287 1.00 0.00 C ATOM 392 O4' DA B 1 -10.163 -3.316 7.852 1.00 0.00 O ATOM 393 C3' DA B 1 -9.453 -1.043 8.204 1.00 0.00 C ATOM 394 O3' DA B 1 -9.066 -0.629 9.523 1.00 0.00 O ATOM 395 C2' DA B 1 -8.338 -1.811 7.534 1.00 0.00 C ATOM 396 C1' DA B 1 -8.746 -3.266 7.571 1.00 0.00 C ATOM 397 N9 DA B 1 -8.424 -3.920 6.296 1.00 0.00 N ATOM 398 C8 DA B 1 -7.383 -4.716 6.019 1.00 0.00 C ATOM 399 N7 DA B 1 -7.282 -5.186 4.820 1.00 0.00 N ATOM 400 C5 DA B 1 -8.409 -4.627 4.207 1.00 0.00 C ATOM 401 C6 DA B 1 -8.923 -4.713 2.907 1.00 0.00 C ATOM 402 N6 DA B 1 -8.350 -5.434 1.941 1.00 0.00 N ATOM 403 N1 DA B 1 -10.053 -4.034 2.643 1.00 0.00 N ATOM 404 C2 DA B 1 -10.646 -3.312 3.595 1.00 0.00 C ATOM 405 N3 DA B 1 -10.247 -3.162 4.859 1.00 0.00 N ATOM 406 C4 DA B 1 -9.114 -3.851 5.100 1.00 0.00 C ATOM 0 H5' DA B 1 -12.099 -0.534 7.716 1.00 0.00 H new ATOM 0 H5'' DA B 1 -11.540 -1.530 6.386 1.00 0.00 H new ATOM 0 H4' DA B 1 -10.991 -2.062 9.315 1.00 0.00 H new ATOM 0 H3' DA B 1 -9.703 -0.141 7.646 1.00 0.00 H new ATOM 0 H2' DA B 1 -8.195 -1.473 6.508 1.00 0.00 H new ATOM 0 H2'' DA B 1 -7.393 -1.658 8.055 1.00 0.00 H new ATOM 0 HO5' DA B 1 -13.697 -2.102 7.064 1.00 0.00 H new ATOM 0 H1' DA B 1 -8.200 -3.803 8.347 1.00 0.00 H new ATOM 0 H8 DA B 1 -6.650 -4.958 6.775 1.00 0.00 H new ATOM 0 H61 DA B 1 -8.767 -5.462 1.010 1.00 0.00 H new ATOM 0 H62 DA B 1 -7.496 -5.957 2.133 1.00 0.00 H new ATOM 0 H2 DA B 1 -11.549 -2.791 3.311 1.00 0.00 H new ATOM 419 P DA B 2 -7.911 0.475 9.750 1.00 0.00 P ATOM 420 OP1 DA B 2 -7.901 0.842 11.183 1.00 0.00 O ATOM 421 OP2 DA B 2 -8.072 1.525 8.721 1.00 0.00 O ATOM 422 O5' DA B 2 -6.567 -0.344 9.428 1.00 0.00 O ATOM 423 C5' DA B 2 -6.062 -1.336 10.331 1.00 0.00 C ATOM 424 C4' DA B 2 -4.834 -2.027 9.738 1.00 0.00 C ATOM 425 O4' DA B 2 -5.190 -2.727 8.527 1.00 0.00 O ATOM 426 C3' DA B 2 -3.722 -1.025 9.387 1.00 0.00 C ATOM 427 O3' DA B 2 -2.563 -1.229 10.209 1.00 0.00 O ATOM 428 C2' DA B 2 -3.401 -1.262 7.937 1.00 0.00 C ATOM 429 C1' DA B 2 -4.219 -2.460 7.497 1.00 0.00 C ATOM 430 N9 DA B 2 -4.869 -2.200 6.202 1.00 0.00 N ATOM 431 C8 DA B 2 -5.604 -1.136 5.789 1.00 0.00 C ATOM 432 N7 DA B 2 -6.046 -1.152 4.580 1.00 0.00 N ATOM 433 C5 DA B 2 -5.548 -2.374 4.118 1.00 0.00 C ATOM 434 C6 DA B 2 -5.643 -3.029 2.890 1.00 0.00 C ATOM 435 N6 DA B 2 -6.294 -2.524 1.850 1.00 0.00 N ATOM 436 N1 DA B 2 -5.032 -4.221 2.772 1.00 0.00 N ATOM 437 C2 DA B 2 -4.364 -4.740 3.803 1.00 0.00 C ATOM 438 N3 DA B 2 -4.211 -4.207 5.011 1.00 0.00 N ATOM 439 C4 DA B 2 -4.833 -3.015 5.100 1.00 0.00 C ATOM 0 H5' DA B 2 -6.836 -2.074 10.539 1.00 0.00 H new ATOM 0 H5'' DA B 2 -5.801 -0.871 11.282 1.00 0.00 H new ATOM 0 H4' DA B 2 -4.469 -2.719 10.497 1.00 0.00 H new ATOM 0 H3' DA B 2 -4.043 0.002 9.563 1.00 0.00 H new ATOM 0 H2' DA B 2 -3.647 -0.385 7.338 1.00 0.00 H new ATOM 0 H2'' DA B 2 -2.336 -1.451 7.803 1.00 0.00 H new ATOM 0 H1' DA B 2 -3.578 -3.330 7.357 1.00 0.00 H new ATOM 0 H8 DA B 2 -5.810 -0.307 6.450 1.00 0.00 H new ATOM 0 H61 DA B 2 -6.334 -3.043 0.973 1.00 0.00 H new ATOM 0 H62 DA B 2 -6.754 -1.617 1.928 1.00 0.00 H new ATOM 0 H2 DA B 2 -3.896 -5.699 3.638 1.00 0.00 H new ATOM 451 P DG B 3 -1.744 0.025 10.815 1.00 0.00 P ATOM 452 OP1 DG B 3 -1.688 -0.129 12.285 1.00 0.00 O ATOM 453 OP2 DG B 3 -2.285 1.272 10.226 1.00 0.00 O ATOM 454 O5' DG B 3 -0.261 -0.201 10.230 1.00 0.00 O ATOM 455 C5' DG B 3 -0.087 -0.761 8.931 1.00 0.00 C ATOM 456 C4' DG B 3 1.367 -1.083 8.629 1.00 0.00 C ATOM 457 O4' DG B 3 1.500 -1.601 7.282 1.00 0.00 O ATOM 458 C3' DG B 3 2.222 0.165 8.742 1.00 0.00 C ATOM 459 O3' DG B 3 3.408 -0.114 9.502 1.00 0.00 O ATOM 460 C2' DG B 3 2.544 0.531 7.313 1.00 0.00 C ATOM 461 C1' DG B 3 2.380 -0.753 6.521 1.00 0.00 C ATOM 462 N9 DG B 3 1.843 -0.499 5.174 1.00 0.00 N ATOM 463 C8 DG B 3 2.244 -1.018 3.994 1.00 0.00 C ATOM 464 N7 DG B 3 1.623 -0.639 2.932 1.00 0.00 N ATOM 465 C5 DG B 3 0.680 0.247 3.451 1.00 0.00 C ATOM 466 C6 DG B 3 -0.314 1.002 2.782 1.00 0.00 C ATOM 467 O6 DG B 3 -0.555 1.031 1.578 1.00 0.00 O ATOM 468 N1 DG B 3 -1.059 1.769 3.671 1.00 0.00 N ATOM 469 C2 DG B 3 -0.867 1.804 5.041 1.00 0.00 C ATOM 470 N2 DG B 3 -1.687 2.590 5.751 1.00 0.00 N ATOM 471 N3 DG B 3 0.072 1.094 5.674 1.00 0.00 N ATOM 472 C4 DG B 3 0.805 0.341 4.827 1.00 0.00 C ATOM 0 H5' DG B 3 -0.464 -0.063 8.184 1.00 0.00 H new ATOM 0 H5'' DG B 3 -0.683 -1.670 8.847 1.00 0.00 H new ATOM 0 H4' DG B 3 1.699 -1.829 9.351 1.00 0.00 H new ATOM 0 H3' DG B 3 1.720 0.982 9.261 1.00 0.00 H new ATOM 0 H2' DG B 3 1.873 1.308 6.946 1.00 0.00 H new ATOM 0 H2'' DG B 3 3.559 0.919 7.226 1.00 0.00 H new ATOM 0 H1' DG B 3 3.347 -1.232 6.370 1.00 0.00 H new ATOM 0 H8 DG B 3 3.057 -1.727 3.943 1.00 0.00 H new ATOM 0 H1 DG B 3 -1.803 2.350 3.284 1.00 0.00 H new ATOM 0 H21 DG B 3 -1.586 2.650 6.764 1.00 0.00 H new ATOM 0 H22 DG B 3 -2.413 3.129 5.278 1.00 0.00 H new ATOM 484 P DG B 4 4.705 0.839 9.429 1.00 0.00 P ATOM 485 OP1 DG B 4 5.660 0.402 10.473 1.00 0.00 O ATOM 486 OP2 DG B 4 4.249 2.247 9.391 1.00 0.00 O ATOM 487 O5' DG B 4 5.323 0.466 7.987 1.00 0.00 O ATOM 488 C5' DG B 4 5.965 -0.797 7.766 1.00 0.00 C ATOM 489 C4' DG B 4 6.438 -0.950 6.323 1.00 0.00 C ATOM 490 O4' DG B 4 5.361 -0.762 5.387 1.00 0.00 O ATOM 491 C3' DG B 4 7.515 0.069 5.989 1.00 0.00 C ATOM 492 O3' DG B 4 8.812 -0.536 5.985 1.00 0.00 O ATOM 493 C2' DG B 4 7.154 0.591 4.620 1.00 0.00 C ATOM 494 C1' DG B 4 5.896 -0.151 4.200 1.00 0.00 C ATOM 495 N9 DG B 4 4.924 0.773 3.592 1.00 0.00 N ATOM 496 C8 DG B 4 4.314 1.847 4.143 1.00 0.00 C ATOM 497 N7 DG B 4 3.511 2.528 3.399 1.00 0.00 N ATOM 498 C5 DG B 4 3.585 1.830 2.191 1.00 0.00 C ATOM 499 C6 DG B 4 2.931 2.085 0.961 1.00 0.00 C ATOM 500 O6 DG B 4 2.146 2.989 0.700 1.00 0.00 O ATOM 501 N1 DG B 4 3.278 1.155 -0.007 1.00 0.00 N ATOM 502 C2 DG B 4 4.150 0.101 0.177 1.00 0.00 C ATOM 503 N2 DG B 4 4.361 -0.682 -0.885 1.00 0.00 N ATOM 504 N3 DG B 4 4.772 -0.149 1.337 1.00 0.00 N ATOM 505 C4 DG B 4 4.448 0.751 2.297 1.00 0.00 C ATOM 0 H5' DG B 4 5.273 -1.603 8.009 1.00 0.00 H new ATOM 0 H5'' DG B 4 6.817 -0.894 8.439 1.00 0.00 H new ATOM 0 H4' DG B 4 6.831 -1.963 6.238 1.00 0.00 H new ATOM 0 H3' DG B 4 7.560 0.869 6.728 1.00 0.00 H new ATOM 0 H2' DG B 4 6.980 1.667 4.647 1.00 0.00 H new ATOM 0 H2'' DG B 4 7.964 0.417 3.911 1.00 0.00 H new ATOM 0 H1' DG B 4 6.119 -0.907 3.447 1.00 0.00 H new ATOM 0 H8 DG B 4 4.493 2.125 5.171 1.00 0.00 H new ATOM 0 H1 DG B 4 2.855 1.258 -0.929 1.00 0.00 H new ATOM 0 H21 DG B 4 4.995 -1.478 -0.814 1.00 0.00 H new ATOM 0 H22 DG B 4 3.888 -0.484 -1.767 1.00 0.00 H new ATOM 517 P DT B 5 10.138 0.364 6.142 1.00 0.00 P ATOM 518 OP1 DT B 5 11.214 -0.496 6.688 1.00 0.00 O ATOM 519 OP2 DT B 5 9.772 1.615 6.844 1.00 0.00 O ATOM 520 O5' DT B 5 10.507 0.724 4.614 1.00 0.00 O ATOM 521 C5' DT B 5 11.215 -0.232 3.821 1.00 0.00 C ATOM 522 C4' DT B 5 10.928 -0.086 2.334 1.00 0.00 C ATOM 523 O4' DT B 5 9.527 0.197 2.097 1.00 0.00 O ATOM 524 C3' DT B 5 11.746 1.052 1.720 1.00 0.00 C ATOM 525 O3' DT B 5 12.622 0.576 0.686 1.00 0.00 O ATOM 526 C2' DT B 5 10.717 1.975 1.116 1.00 0.00 C ATOM 527 C1' DT B 5 9.452 1.138 1.022 1.00 0.00 C ATOM 528 N1 DT B 5 8.243 1.970 1.073 1.00 0.00 N ATOM 529 C2 DT B 5 7.365 1.841 0.018 1.00 0.00 C ATOM 530 O2 DT B 5 7.568 1.063 -0.911 1.00 0.00 O ATOM 531 N3 DT B 5 6.252 2.639 0.054 1.00 0.00 N ATOM 532 C4 DT B 5 5.936 3.545 1.041 1.00 0.00 C ATOM 533 O4 DT B 5 4.912 4.205 0.963 1.00 0.00 O ATOM 534 C5 DT B 5 6.909 3.619 2.112 1.00 0.00 C ATOM 535 C7 DT B 5 6.690 4.592 3.268 1.00 0.00 C ATOM 536 C6 DT B 5 8.013 2.844 2.097 1.00 0.00 C ATOM 0 H5' DT B 5 10.944 -1.238 4.143 1.00 0.00 H new ATOM 0 H5'' DT B 5 12.285 -0.120 3.993 1.00 0.00 H new ATOM 0 H4' DT B 5 11.202 -1.034 1.870 1.00 0.00 H new ATOM 0 H3' DT B 5 12.377 1.534 2.467 1.00 0.00 H new ATOM 0 H2' DT B 5 10.563 2.857 1.738 1.00 0.00 H new ATOM 0 H2'' DT B 5 11.031 2.329 0.134 1.00 0.00 H new ATOM 0 H1' DT B 5 9.383 0.620 0.066 1.00 0.00 H new ATOM 0 H3 DT B 5 5.596 2.554 -0.723 1.00 0.00 H new ATOM 0 H71 DT B 5 7.143 4.189 4.174 1.00 0.00 H new ATOM 0 H72 DT B 5 7.149 5.551 3.028 1.00 0.00 H new ATOM 0 H73 DT B 5 5.621 4.732 3.428 1.00 0.00 H new ATOM 0 H6 DT B 5 8.725 2.916 2.906 1.00 0.00 H new ATOM 549 P DT B 6 13.764 -0.525 0.963 1.00 0.00 P ATOM 550 OP1 DT B 6 13.280 -1.459 2.005 1.00 0.00 O ATOM 551 OP2 DT B 6 15.055 0.175 1.137 1.00 0.00 O ATOM 552 O5' DT B 6 13.800 -1.317 -0.439 1.00 0.00 O ATOM 553 C5' DT B 6 14.594 -0.847 -1.540 1.00 0.00 C ATOM 554 C4' DT B 6 13.729 -0.502 -2.766 1.00 0.00 C ATOM 555 O4' DT B 6 12.795 -1.580 -3.047 1.00 0.00 O ATOM 556 C3' DT B 6 12.917 0.776 -2.547 1.00 0.00 C ATOM 557 O3' DT B 6 13.084 1.676 -3.653 1.00 0.00 O ATOM 558 C2' DT B 6 11.482 0.323 -2.451 1.00 0.00 C ATOM 559 C1' DT B 6 11.439 -1.077 -3.054 1.00 0.00 C ATOM 560 N1 DT B 6 10.531 -1.968 -2.293 1.00 0.00 N ATOM 561 C2 DT B 6 9.405 -2.429 -2.955 1.00 0.00 C ATOM 562 O2 DT B 6 9.147 -2.106 -4.113 1.00 0.00 O ATOM 563 N3 DT B 6 8.580 -3.272 -2.238 1.00 0.00 N ATOM 564 C4 DT B 6 8.776 -3.691 -0.936 1.00 0.00 C ATOM 565 O4 DT B 6 7.968 -4.446 -0.395 1.00 0.00 O ATOM 566 C5 DT B 6 9.973 -3.163 -0.322 1.00 0.00 C ATOM 567 C7 DT B 6 10.313 -3.557 1.113 1.00 0.00 C ATOM 568 C6 DT B 6 10.798 -2.335 -0.999 1.00 0.00 C ATOM 0 H5' DT B 6 15.323 -1.610 -1.813 1.00 0.00 H new ATOM 0 H5'' DT B 6 15.156 0.035 -1.232 1.00 0.00 H new ATOM 0 H4' DT B 6 14.414 -0.356 -3.602 1.00 0.00 H new ATOM 0 H3' DT B 6 13.237 1.311 -1.653 1.00 0.00 H new ATOM 0 H2' DT B 6 11.146 0.311 -1.414 1.00 0.00 H new ATOM 0 H2'' DT B 6 10.822 1.001 -2.993 1.00 0.00 H new ATOM 0 H1' DT B 6 11.046 -1.043 -4.070 1.00 0.00 H new ATOM 0 H3 DT B 6 7.747 -3.618 -2.714 1.00 0.00 H new ATOM 0 H71 DT B 6 11.395 -3.552 1.245 1.00 0.00 H new ATOM 0 H72 DT B 6 9.860 -2.845 1.803 1.00 0.00 H new ATOM 0 H73 DT B 6 9.927 -4.556 1.317 1.00 0.00 H new ATOM 0 H6 DT B 6 11.684 -1.955 -0.512 1.00 0.00 H new ATOM 581 P DT B 7 13.221 3.269 -3.426 1.00 0.00 P ATOM 582 OP1 DT B 7 14.556 3.687 -3.914 1.00 0.00 O ATOM 583 OP2 DT B 7 12.809 3.583 -2.040 1.00 0.00 O ATOM 584 O5' DT B 7 12.110 3.875 -4.420 1.00 0.00 O ATOM 585 C5' DT B 7 11.531 3.067 -5.445 1.00 0.00 C ATOM 586 C4' DT B 7 9.996 3.039 -5.344 1.00 0.00 C ATOM 587 O4' DT B 7 9.542 2.964 -3.962 1.00 0.00 O ATOM 588 C3' DT B 7 9.406 4.309 -5.935 1.00 0.00 C ATOM 589 O3' DT B 7 8.367 3.962 -6.843 1.00 0.00 O ATOM 590 C2' DT B 7 8.854 5.081 -4.765 1.00 0.00 C ATOM 591 C1' DT B 7 8.615 4.051 -3.695 1.00 0.00 C ATOM 592 N1 DT B 7 8.824 4.637 -2.356 1.00 0.00 N ATOM 593 C2 DT B 7 7.704 4.987 -1.626 1.00 0.00 C ATOM 594 O2 DT B 7 6.567 4.775 -2.031 1.00 0.00 O ATOM 595 N3 DT B 7 7.934 5.576 -0.399 1.00 0.00 N ATOM 596 C4 DT B 7 9.171 5.829 0.165 1.00 0.00 C ATOM 597 O4 DT B 7 9.258 6.334 1.285 1.00 0.00 O ATOM 598 C5 DT B 7 10.287 5.425 -0.667 1.00 0.00 C ATOM 599 C7 DT B 7 11.712 5.646 -0.164 1.00 0.00 C ATOM 600 C6 DT B 7 10.083 4.855 -1.878 1.00 0.00 C ATOM 0 H5' DT B 7 11.920 2.051 -5.372 1.00 0.00 H new ATOM 0 H5'' DT B 7 11.825 3.451 -6.422 1.00 0.00 H new ATOM 0 H4' DT B 7 9.668 2.154 -5.889 1.00 0.00 H new ATOM 0 H3' DT B 7 10.142 4.898 -6.483 1.00 0.00 H new ATOM 0 H2' DT B 7 9.557 5.843 -4.429 1.00 0.00 H new ATOM 0 H2'' DT B 7 7.930 5.594 -5.032 1.00 0.00 H new ATOM 0 H1' DT B 7 7.588 3.686 -3.708 1.00 0.00 H new ATOM 0 H3 DT B 7 7.114 5.850 0.143 1.00 0.00 H new ATOM 0 H71 DT B 7 12.366 4.877 -0.575 1.00 0.00 H new ATOM 0 H72 DT B 7 12.062 6.628 -0.482 1.00 0.00 H new ATOM 0 H73 DT B 7 11.726 5.590 0.924 1.00 0.00 H new ATOM 0 H6 DT B 7 10.934 4.567 -2.478 1.00 0.00 H new ATOM 613 P DT B 8 8.698 3.640 -8.379 1.00 0.00 P ATOM 614 OP1 DT B 8 7.950 2.428 -8.771 1.00 0.00 O ATOM 615 OP2 DT B 8 10.163 3.702 -8.568 1.00 0.00 O ATOM 616 O5' DT B 8 8.040 4.914 -9.099 1.00 0.00 O ATOM 617 C5' DT B 8 7.068 5.699 -8.394 1.00 0.00 C ATOM 618 C4' DT B 8 6.021 6.275 -9.332 1.00 0.00 C ATOM 619 O4' DT B 8 6.643 7.154 -10.295 1.00 0.00 O ATOM 620 C3' DT B 8 5.302 5.168 -10.092 1.00 0.00 C ATOM 621 O3' DT B 8 3.890 5.362 -10.034 1.00 0.00 O ATOM 622 C2' DT B 8 5.784 5.287 -11.520 1.00 0.00 C ATOM 623 C1' DT B 8 6.382 6.686 -11.634 1.00 0.00 C ATOM 624 N1 DT B 8 7.617 6.698 -12.456 1.00 0.00 N ATOM 625 C2 DT B 8 7.624 7.528 -13.567 1.00 0.00 C ATOM 626 O2 DT B 8 6.660 8.227 -13.876 1.00 0.00 O ATOM 627 N3 DT B 8 8.786 7.531 -14.313 1.00 0.00 N ATOM 628 C4 DT B 8 9.924 6.791 -14.058 1.00 0.00 C ATOM 629 O4 DT B 8 10.902 6.876 -14.795 1.00 0.00 O ATOM 630 C5 DT B 8 9.830 5.955 -12.884 1.00 0.00 C ATOM 631 C7 DT B 8 11.015 5.080 -12.485 1.00 0.00 C ATOM 632 C6 DT B 8 8.713 5.930 -12.135 1.00 0.00 C ATOM 0 H5' DT B 8 7.569 6.510 -7.866 1.00 0.00 H new ATOM 0 H5'' DT B 8 6.580 5.082 -7.640 1.00 0.00 H new ATOM 0 H4' DT B 8 5.303 6.826 -8.725 1.00 0.00 H new ATOM 0 H3' DT B 8 5.510 4.185 -9.669 1.00 0.00 H new ATOM 0 H2' DT B 8 6.527 4.523 -11.748 1.00 0.00 H new ATOM 0 H2'' DT B 8 4.963 5.153 -12.224 1.00 0.00 H new ATOM 0 H1' DT B 8 5.679 7.347 -12.142 1.00 0.00 H new ATOM 0 H3 DT B 8 8.806 8.139 -15.132 1.00 0.00 H new ATOM 0 H71 DT B 8 11.024 4.952 -11.403 1.00 0.00 H new ATOM 0 H72 DT B 8 10.926 4.106 -12.965 1.00 0.00 H new ATOM 0 H73 DT B 8 11.942 5.557 -12.802 1.00 0.00 H new ATOM 0 H6 DT B 8 8.675 5.294 -11.263 1.00 0.00 H new ATOM 645 P DA B 9 2.883 4.216 -10.547 1.00 0.00 P ATOM 646 OP1 DA B 9 3.667 2.991 -10.834 1.00 0.00 O ATOM 647 OP2 DA B 9 2.011 4.796 -11.592 1.00 0.00 O ATOM 648 O5' DA B 9 1.996 3.950 -9.232 1.00 0.00 O ATOM 649 C5' DA B 9 2.577 3.305 -8.099 1.00 0.00 C ATOM 650 C4' DA B 9 2.253 4.037 -6.795 1.00 0.00 C ATOM 651 O4' DA B 9 2.631 3.242 -5.657 1.00 0.00 O ATOM 652 C3' DA B 9 2.987 5.372 -6.686 1.00 0.00 C ATOM 653 O3' DA B 9 2.042 6.403 -6.377 1.00 0.00 O ATOM 654 C2' DA B 9 3.975 5.197 -5.553 1.00 0.00 C ATOM 655 C1' DA B 9 3.454 4.011 -4.767 1.00 0.00 C ATOM 656 N9 DA B 9 4.541 3.193 -4.238 1.00 0.00 N ATOM 657 C8 DA B 9 4.856 2.968 -2.953 1.00 0.00 C ATOM 658 N7 DA B 9 5.840 2.182 -2.707 1.00 0.00 N ATOM 659 C5 DA B 9 6.247 1.830 -3.999 1.00 0.00 C ATOM 660 C6 DA B 9 7.267 1.004 -4.474 1.00 0.00 C ATOM 661 N6 DA B 9 8.101 0.354 -3.665 1.00 0.00 N ATOM 662 N1 DA B 9 7.396 0.877 -5.807 1.00 0.00 N ATOM 663 C2 DA B 9 6.570 1.527 -6.628 1.00 0.00 C ATOM 664 N3 DA B 9 5.565 2.334 -6.285 1.00 0.00 N ATOM 665 C4 DA B 9 5.459 2.443 -4.943 1.00 0.00 C ATOM 0 H5' DA B 9 3.658 3.253 -8.226 1.00 0.00 H new ATOM 0 H5'' DA B 9 2.213 2.279 -8.039 1.00 0.00 H new ATOM 0 H4' DA B 9 1.177 4.214 -6.806 1.00 0.00 H new ATOM 0 H3' DA B 9 3.492 5.651 -7.611 1.00 0.00 H new ATOM 0 H2' DA B 9 4.981 5.011 -5.930 1.00 0.00 H new ATOM 0 H2'' DA B 9 4.028 6.091 -4.932 1.00 0.00 H new ATOM 0 H1' DA B 9 2.883 4.358 -3.906 1.00 0.00 H new ATOM 0 H8 DA B 9 4.300 3.433 -2.153 1.00 0.00 H new ATOM 0 H61 DA B 9 8.832 -0.239 -4.057 1.00 0.00 H new ATOM 0 H62 DA B 9 8.008 0.449 -2.654 1.00 0.00 H new ATOM 0 H2 DA B 9 6.733 1.384 -7.686 1.00 0.00 H new ATOM 677 P DA B 10 2.370 7.950 -6.641 1.00 0.00 P ATOM 678 OP1 DA B 10 2.446 8.163 -8.103 1.00 0.00 O ATOM 679 OP2 DA B 10 3.518 8.328 -5.784 1.00 0.00 O ATOM 680 O5' DA B 10 1.054 8.684 -6.073 1.00 0.00 O ATOM 681 C5' DA B 10 -0.227 8.043 -6.125 1.00 0.00 C ATOM 682 C4' DA B 10 -1.018 8.271 -4.798 1.00 0.00 C ATOM 683 O4' DA B 10 -0.628 7.324 -3.771 1.00 0.00 O ATOM 684 C3' DA B 10 -0.789 9.677 -4.211 1.00 0.00 C ATOM 685 O3' DA B 10 -2.036 10.371 -4.077 1.00 0.00 O ATOM 686 C2' DA B 10 -0.167 9.446 -2.844 1.00 0.00 C ATOM 687 C1' DA B 10 -0.476 8.014 -2.508 1.00 0.00 C ATOM 688 N9 DA B 10 0.577 7.393 -1.693 1.00 0.00 N ATOM 689 C8 DA B 10 1.255 6.262 -1.932 1.00 0.00 C ATOM 690 N7 DA B 10 2.070 5.840 -1.023 1.00 0.00 N ATOM 691 C5 DA B 10 1.919 6.824 -0.039 1.00 0.00 C ATOM 692 C6 DA B 10 2.497 7.004 1.223 1.00 0.00 C ATOM 693 N6 DA B 10 3.368 6.155 1.756 1.00 0.00 N ATOM 694 N1 DA B 10 2.129 8.086 1.925 1.00 0.00 N ATOM 695 C2 DA B 10 1.241 8.944 1.421 1.00 0.00 C ATOM 696 N3 DA B 10 0.625 8.869 0.244 1.00 0.00 N ATOM 697 C4 DA B 10 1.014 7.778 -0.443 1.00 0.00 C ATOM 0 H5' DA B 10 -0.097 6.974 -6.297 1.00 0.00 H new ATOM 0 H5'' DA B 10 -0.800 8.433 -6.966 1.00 0.00 H new ATOM 0 H4' DA B 10 -2.066 8.142 -5.069 1.00 0.00 H new ATOM 0 H3' DA B 10 -0.151 10.285 -4.852 1.00 0.00 H new ATOM 0 H2' DA B 10 0.908 9.622 -2.866 1.00 0.00 H new ATOM 0 H2'' DA B 10 -0.586 10.124 -2.101 1.00 0.00 H new ATOM 0 H1' DA B 10 -1.383 7.955 -1.907 1.00 0.00 H new ATOM 0 H8 DA B 10 1.124 5.720 -2.857 1.00 0.00 H new ATOM 0 H61 DA B 10 3.757 6.337 2.681 1.00 0.00 H new ATOM 0 H62 DA B 10 3.648 5.320 1.240 1.00 0.00 H new ATOM 0 H2 DA B 10 0.994 9.796 2.038 1.00 0.00 H new ATOM 709 P DG B 11 -2.970 10.664 -5.360 1.00 0.00 P ATOM 710 OP1 DG B 11 -2.091 10.948 -6.517 1.00 0.00 O ATOM 711 OP2 DG B 11 -3.997 11.650 -4.961 1.00 0.00 O ATOM 712 O5' DG B 11 -3.700 9.246 -5.615 1.00 0.00 O ATOM 713 C5' DG B 11 -4.388 9.011 -6.847 1.00 0.00 C ATOM 714 C4' DG B 11 -4.919 7.583 -6.970 1.00 0.00 C ATOM 715 O4' DG B 11 -3.860 6.603 -6.835 1.00 0.00 O ATOM 716 C3' DG B 11 -5.969 7.264 -5.891 1.00 0.00 C ATOM 717 O3' DG B 11 -7.182 6.751 -6.459 1.00 0.00 O ATOM 718 C2' DG B 11 -5.344 6.154 -5.092 1.00 0.00 C ATOM 719 C1' DG B 11 -4.392 5.515 -6.069 1.00 0.00 C ATOM 720 N9 DG B 11 -3.356 4.705 -5.416 1.00 0.00 N ATOM 721 C8 DG B 11 -2.705 3.659 -5.936 1.00 0.00 C ATOM 722 N7 DG B 11 -1.803 3.085 -5.215 1.00 0.00 N ATOM 723 C5 DG B 11 -1.854 3.842 -4.044 1.00 0.00 C ATOM 724 C6 DG B 11 -1.104 3.707 -2.845 1.00 0.00 C ATOM 725 O6 DG B 11 -0.216 2.894 -2.593 1.00 0.00 O ATOM 726 N1 DG B 11 -1.472 4.661 -1.907 1.00 0.00 N ATOM 727 C2 DG B 11 -2.444 5.631 -2.101 1.00 0.00 C ATOM 728 N2 DG B 11 -2.671 6.458 -1.089 1.00 0.00 N ATOM 729 N3 DG B 11 -3.151 5.765 -3.227 1.00 0.00 N ATOM 730 C4 DG B 11 -2.811 4.844 -4.154 1.00 0.00 C ATOM 0 H5' DG B 11 -3.713 9.215 -7.678 1.00 0.00 H new ATOM 0 H5'' DG B 11 -5.219 9.711 -6.932 1.00 0.00 H new ATOM 0 H4' DG B 11 -5.368 7.525 -7.962 1.00 0.00 H new ATOM 0 H3' DG B 11 -6.223 8.158 -5.322 1.00 0.00 H new ATOM 0 H2' DG B 11 -4.823 6.535 -4.214 1.00 0.00 H new ATOM 0 H2'' DG B 11 -6.091 5.445 -4.736 1.00 0.00 H new ATOM 0 H1' DG B 11 -4.901 4.793 -6.708 1.00 0.00 H new ATOM 0 H8 DG B 11 -2.928 3.305 -6.932 1.00 0.00 H new ATOM 0 H1 DG B 11 -0.992 4.648 -1.007 1.00 0.00 H new ATOM 0 H21 DG B 11 -3.375 7.191 -1.177 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.141 6.361 -0.223 1.00 0.00 H new ATOM 742 P DG B 12 -8.043 7.540 -7.562 1.00 0.00 P ATOM 743 OP1 DG B 12 -7.203 8.602 -8.155 1.00 0.00 O ATOM 744 OP2 DG B 12 -9.361 7.874 -6.977 1.00 0.00 O ATOM 745 O5' DG B 12 -8.257 6.379 -8.663 1.00 0.00 O ATOM 746 C5' DG B 12 -7.163 5.527 -9.054 1.00 0.00 C ATOM 747 C4' DG B 12 -7.401 4.052 -8.703 1.00 0.00 C ATOM 748 O4' DG B 12 -6.468 3.588 -7.712 1.00 0.00 O ATOM 749 C3' DG B 12 -8.793 3.817 -8.153 1.00 0.00 C ATOM 750 O3' DG B 12 -9.641 3.238 -9.145 1.00 0.00 O ATOM 751 C2' DG B 12 -8.617 2.892 -6.977 1.00 0.00 C ATOM 752 C1' DG B 12 -7.120 2.608 -6.889 1.00 0.00 C ATOM 753 N9 DG B 12 -6.579 2.649 -5.505 1.00 0.00 N ATOM 754 C8 DG B 12 -6.965 3.360 -4.400 1.00 0.00 C ATOM 755 N7 DG B 12 -6.221 3.278 -3.347 1.00 0.00 N ATOM 756 C5 DG B 12 -5.217 2.409 -3.777 1.00 0.00 C ATOM 757 C6 DG B 12 -4.087 1.920 -3.078 1.00 0.00 C ATOM 758 O6 DG B 12 -3.747 2.158 -1.924 1.00 0.00 O ATOM 759 N1 DG B 12 -3.324 1.076 -3.869 1.00 0.00 N ATOM 760 C2 DG B 12 -3.611 0.733 -5.178 1.00 0.00 C ATOM 761 N2 DG B 12 -2.754 -0.093 -5.779 1.00 0.00 N ATOM 762 N3 DG B 12 -4.675 1.186 -5.843 1.00 0.00 N ATOM 763 C4 DG B 12 -5.431 2.017 -5.089 1.00 0.00 C ATOM 0 H5' DG B 12 -6.250 5.869 -8.566 1.00 0.00 H new ATOM 0 H5'' DG B 12 -7.004 5.619 -10.128 1.00 0.00 H new ATOM 0 H4' DG B 12 -7.271 3.504 -9.636 1.00 0.00 H new ATOM 0 H3' DG B 12 -9.270 4.750 -7.854 1.00 0.00 H new ATOM 0 H2' DG B 12 -8.982 3.353 -6.059 1.00 0.00 H new ATOM 0 H2'' DG B 12 -9.182 1.970 -7.117 1.00 0.00 H new ATOM 0 HO3' DG B 12 -10.534 3.093 -8.768 1.00 0.00 H new ATOM 0 H1' DG B 12 -6.935 1.590 -7.230 1.00 0.00 H new ATOM 0 H8 DG B 12 -7.858 3.967 -4.409 1.00 0.00 H new ATOM 0 H1 DG B 12 -2.483 0.676 -3.453 1.00 0.00 H new ATOM 0 H21 DG B 12 -2.915 -0.381 -6.744 1.00 0.00 H new ATOM 0 H22 DG B 12 -1.938 -0.437 -5.273 1.00 0.00 H new TER 776 DG B 12