USER MOD reduce.3.24.130724 H: found=0, std=0, add=170, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 170 hydrogens (30 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 27:sc= 0.0123 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DA O5' : rot 24:sc= 0.0039 USER MOD Single : B 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -4.980 9.480 -11.975 1.00 10.00 O ATOM 2 C5' DA A 1 -6.093 8.799 -12.512 1.00 10.00 C ATOM 3 C4' DA A 1 -6.111 7.340 -12.045 1.00 10.00 C ATOM 4 O4' DA A 1 -4.903 6.685 -12.395 1.00 10.00 O ATOM 5 C3' DA A 1 -6.223 7.192 -10.529 1.00 10.00 C ATOM 6 O3' DA A 1 -7.572 7.285 -10.103 1.00 10.00 O ATOM 7 C2' DA A 1 -5.621 5.807 -10.315 1.00 10.00 C ATOM 8 C1' DA A 1 -4.728 5.571 -11.534 1.00 10.00 C ATOM 9 N9 DA A 1 -3.314 5.427 -11.143 1.00 10.00 N ATOM 10 C8 DA A 1 -2.442 6.427 -10.844 1.00 10.00 C ATOM 11 N7 DA A 1 -1.225 6.035 -10.590 1.00 10.00 N ATOM 12 C5 DA A 1 -1.303 4.652 -10.721 1.00 10.00 C ATOM 13 C6 DA A 1 -0.354 3.617 -10.581 1.00 10.00 C ATOM 14 N6 DA A 1 0.930 3.845 -10.279 1.00 10.00 N ATOM 15 N1 DA A 1 -0.765 2.346 -10.747 1.00 10.00 N ATOM 16 C2 DA A 1 -2.043 2.110 -11.037 1.00 10.00 C ATOM 17 N3 DA A 1 -3.028 2.990 -11.203 1.00 10.00 N ATOM 18 C4 DA A 1 -2.585 4.266 -11.031 1.00 10.00 C ATOM 0 H5' DA A 1 -6.059 8.837 -13.601 1.00 10.00 H new ATOM 0 H5'' DA A 1 -7.013 9.296 -12.204 1.00 10.00 H new ATOM 0 H4' DA A 1 -6.984 6.905 -12.532 1.00 10.00 H new ATOM 0 H3' DA A 1 -5.719 7.969 -9.954 1.00 10.00 H new ATOM 0 H2' DA A 1 -5.046 5.765 -9.390 1.00 10.00 H new ATOM 0 H2'' DA A 1 -6.398 5.046 -10.242 1.00 10.00 H new ATOM 0 HO5' DA A 1 -4.259 8.840 -11.799 1.00 10.00 H new ATOM 0 H1' DA A 1 -5.006 4.644 -12.036 1.00 10.00 H new ATOM 0 H8 DA A 1 -2.735 7.466 -10.819 1.00 10.00 H new ATOM 0 H61 DA A 1 1.579 3.063 -10.188 1.00 10.00 H new ATOM 0 H62 DA A 1 1.259 4.800 -10.140 1.00 10.00 H new ATOM 0 H2 DA A 1 -2.315 1.071 -11.152 1.00 10.00 H new ATOM 31 P DT A 2 -7.966 7.434 -8.541 1.00 10.00 P ATOM 32 OP1 DT A 2 -9.429 7.640 -8.457 1.00 10.00 O ATOM 33 OP2 DT A 2 -7.051 8.423 -7.929 1.00 10.00 O ATOM 34 O5' DT A 2 -7.622 5.987 -7.920 1.00 10.00 O ATOM 35 C5' DT A 2 -8.480 4.874 -8.095 1.00 10.00 C ATOM 36 C4' DT A 2 -7.792 3.614 -7.562 1.00 10.00 C ATOM 37 O4' DT A 2 -6.530 3.465 -8.182 1.00 10.00 O ATOM 38 C3' DT A 2 -7.537 3.666 -6.053 1.00 10.00 C ATOM 39 O3' DT A 2 -8.604 3.028 -5.367 1.00 10.00 O ATOM 40 C2' DT A 2 -6.201 2.945 -5.895 1.00 10.00 C ATOM 41 C1' DT A 2 -5.678 2.738 -7.320 1.00 10.00 C ATOM 42 N1 DT A 2 -4.296 3.257 -7.449 1.00 10.00 N ATOM 43 C2 DT A 2 -3.254 2.390 -7.770 1.00 10.00 C ATOM 44 O2 DT A 2 -3.416 1.196 -8.013 1.00 10.00 O ATOM 45 N3 DT A 2 -1.986 2.951 -7.800 1.00 10.00 N ATOM 46 C4 DT A 2 -1.673 4.280 -7.553 1.00 10.00 C ATOM 47 O4 DT A 2 -0.497 4.638 -7.546 1.00 10.00 O ATOM 48 C5 DT A 2 -2.826 5.129 -7.301 1.00 10.00 C ATOM 49 C7 DT A 2 -2.654 6.623 -7.108 1.00 10.00 C ATOM 50 C6 DT A 2 -4.070 4.592 -7.242 1.00 10.00 C ATOM 0 H5' DT A 2 -8.723 4.750 -9.150 1.00 10.00 H new ATOM 0 H5'' DT A 2 -9.420 5.039 -7.569 1.00 10.00 H new ATOM 0 H4' DT A 2 -8.465 2.785 -7.781 1.00 10.00 H new ATOM 0 H3' DT A 2 -7.492 4.671 -5.634 1.00 10.00 H new ATOM 0 H2' DT A 2 -5.503 3.537 -5.303 1.00 10.00 H new ATOM 0 H2'' DT A 2 -6.327 1.992 -5.381 1.00 10.00 H new ATOM 0 H1' DT A 2 -5.666 1.677 -7.568 1.00 10.00 H new ATOM 0 H3 DT A 2 -1.210 2.328 -8.025 1.00 10.00 H new ATOM 0 H71 DT A 2 -3.549 7.140 -7.455 1.00 10.00 H new ATOM 0 H72 DT A 2 -2.498 6.838 -6.051 1.00 10.00 H new ATOM 0 H73 DT A 2 -1.792 6.967 -7.679 1.00 10.00 H new ATOM 0 H6 DT A 2 -4.909 5.237 -7.025 1.00 10.00 H new ATOM 63 P DG A 3 -8.633 2.836 -3.759 1.00 10.00 P ATOM 64 OP1 DG A 3 -10.048 2.822 -3.328 1.00 10.00 O ATOM 65 OP2 DG A 3 -7.695 3.808 -3.154 1.00 10.00 O ATOM 66 O5' DG A 3 -8.028 1.354 -3.524 1.00 10.00 O ATOM 67 C5' DG A 3 -8.663 0.194 -4.036 1.00 10.00 C ATOM 68 C4' DG A 3 -7.979 -1.083 -3.520 1.00 10.00 C ATOM 69 O4' DG A 3 -6.560 -0.956 -3.516 1.00 10.00 O ATOM 70 C3' DG A 3 -8.412 -1.434 -2.095 1.00 10.00 C ATOM 71 O3' DG A 3 -8.513 -2.847 -2.016 1.00 10.00 O ATOM 72 C2' DG A 3 -7.273 -0.857 -1.263 1.00 10.00 C ATOM 73 C1' DG A 3 -6.070 -1.059 -2.184 1.00 10.00 C ATOM 74 N9 DG A 3 -4.993 -0.062 -1.971 1.00 10.00 N ATOM 75 C8 DG A 3 -5.102 1.296 -1.807 1.00 10.00 C ATOM 76 N7 DG A 3 -3.963 1.907 -1.623 1.00 10.00 N ATOM 77 C5 DG A 3 -3.023 0.886 -1.686 1.00 10.00 C ATOM 78 C6 DG A 3 -1.604 0.931 -1.518 1.00 10.00 C ATOM 79 O6 DG A 3 -0.905 1.914 -1.277 1.00 10.00 O ATOM 80 N1 DG A 3 -1.009 -0.321 -1.649 1.00 10.00 N ATOM 81 C2 DG A 3 -1.706 -1.489 -1.900 1.00 10.00 C ATOM 82 N2 DG A 3 -0.996 -2.618 -1.983 1.00 10.00 N ATOM 83 N3 DG A 3 -3.042 -1.538 -2.030 1.00 10.00 N ATOM 84 C4 DG A 3 -3.642 -0.322 -1.914 1.00 10.00 C ATOM 0 H5' DG A 3 -8.635 0.211 -5.126 1.00 10.00 H new ATOM 0 H5'' DG A 3 -9.713 0.191 -3.744 1.00 10.00 H new ATOM 0 H4' DG A 3 -8.286 -1.873 -4.205 1.00 10.00 H new ATOM 0 H3' DG A 3 -9.375 -1.045 -1.764 1.00 10.00 H new ATOM 0 H2' DG A 3 -7.433 0.195 -1.026 1.00 10.00 H new ATOM 0 H2'' DG A 3 -7.154 -1.382 -0.315 1.00 10.00 H new ATOM 0 H1' DG A 3 -5.621 -2.030 -1.974 1.00 10.00 H new ATOM 0 H8 DG A 3 -6.049 1.815 -1.828 1.00 10.00 H new ATOM 0 H1 DG A 3 0.005 -0.381 -1.554 1.00 10.00 H new ATOM 0 H21 DG A 3 -1.467 -3.504 -2.167 1.00 10.00 H new ATOM 0 H22 DG A 3 0.017 -2.594 -1.863 1.00 10.00 H new ATOM 96 P DC A 4 -9.007 -3.615 -0.686 1.00 10.00 P ATOM 97 OP1 DC A 4 -9.781 -4.807 -1.098 1.00 10.00 O ATOM 98 OP2 DC A 4 -9.608 -2.628 0.239 1.00 10.00 O ATOM 99 O5' DC A 4 -7.608 -4.107 -0.061 1.00 10.00 O ATOM 100 C5' DC A 4 -6.918 -5.229 -0.581 1.00 10.00 C ATOM 101 C4' DC A 4 -5.552 -5.348 0.099 1.00 10.00 C ATOM 102 O4' DC A 4 -4.806 -4.177 -0.156 1.00 10.00 O ATOM 103 C3' DC A 4 -5.659 -5.486 1.624 1.00 10.00 C ATOM 104 O3' DC A 4 -5.451 -6.834 2.018 1.00 10.00 O ATOM 105 C2' DC A 4 -4.580 -4.546 2.147 1.00 10.00 C ATOM 106 C1' DC A 4 -3.875 -4.027 0.892 1.00 10.00 C ATOM 107 N1 DC A 4 -3.551 -2.592 1.062 1.00 10.00 N ATOM 108 C2 DC A 4 -2.225 -2.177 1.202 1.00 10.00 C ATOM 109 O2 DC A 4 -1.293 -2.979 1.192 1.00 10.00 O ATOM 110 N3 DC A 4 -1.980 -0.843 1.354 1.00 10.00 N ATOM 111 C4 DC A 4 -2.986 0.046 1.398 1.00 10.00 C ATOM 112 N4 DC A 4 -2.690 1.344 1.516 1.00 10.00 N ATOM 113 C5 DC A 4 -4.356 -0.371 1.287 1.00 10.00 C ATOM 114 C6 DC A 4 -4.580 -1.690 1.120 1.00 10.00 C ATOM 0 H5' DC A 4 -6.792 -5.124 -1.659 1.00 10.00 H new ATOM 0 H5'' DC A 4 -7.499 -6.136 -0.415 1.00 10.00 H new ATOM 0 H4' DC A 4 -5.077 -6.242 -0.304 1.00 10.00 H new ATOM 0 H3' DC A 4 -6.641 -5.228 2.020 1.00 10.00 H new ATOM 0 H2' DC A 4 -5.013 -3.729 2.725 1.00 10.00 H new ATOM 0 H2'' DC A 4 -3.885 -5.068 2.804 1.00 10.00 H new ATOM 0 H1' DC A 4 -2.948 -4.565 0.695 1.00 10.00 H new ATOM 0 H41 DC A 4 -3.438 2.037 1.551 1.00 10.00 H new ATOM 0 H42 DC A 4 -1.716 1.642 1.571 1.00 10.00 H new ATOM 0 H5 DC A 4 -5.169 0.339 1.335 1.00 10.00 H new ATOM 0 H6 DC A 4 -5.596 -2.044 1.030 1.00 10.00 H new ATOM 126 P DA A 5 -5.818 -7.373 3.501 1.00 10.00 P ATOM 127 OP1 DA A 5 -5.866 -8.851 3.440 1.00 10.00 O ATOM 128 OP2 DA A 5 -7.002 -6.630 3.986 1.00 10.00 O ATOM 129 O5' DA A 5 -4.563 -6.955 4.431 1.00 10.00 O ATOM 130 C5' DA A 5 -3.303 -7.593 4.320 1.00 10.00 C ATOM 131 C4' DA A 5 -2.401 -7.201 5.496 1.00 10.00 C ATOM 132 O4' DA A 5 -2.255 -5.793 5.605 1.00 10.00 O ATOM 133 C3' DA A 5 -2.948 -7.702 6.841 1.00 10.00 C ATOM 134 O3' DA A 5 -2.173 -8.802 7.291 1.00 10.00 O ATOM 135 C2' DA A 5 -2.860 -6.468 7.745 1.00 10.00 C ATOM 136 C1' DA A 5 -1.978 -5.499 6.962 1.00 10.00 C ATOM 137 N9 DA A 5 -2.288 -4.091 7.279 1.00 10.00 N ATOM 138 C8 DA A 5 -3.499 -3.475 7.159 1.00 10.00 C ATOM 139 N7 DA A 5 -3.484 -2.192 7.391 1.00 10.00 N ATOM 140 C5 DA A 5 -2.150 -1.937 7.688 1.00 10.00 C ATOM 141 C6 DA A 5 -1.443 -0.751 7.978 1.00 10.00 C ATOM 142 N6 DA A 5 -2.030 0.450 8.015 1.00 10.00 N ATOM 143 N1 DA A 5 -0.119 -0.834 8.211 1.00 10.00 N ATOM 144 C2 DA A 5 0.472 -2.026 8.159 1.00 10.00 C ATOM 145 N3 DA A 5 -0.076 -3.209 7.890 1.00 10.00 N ATOM 146 C4 DA A 5 -1.412 -3.096 7.653 1.00 10.00 C ATOM 0 H5' DA A 5 -2.828 -7.313 3.380 1.00 10.00 H new ATOM 0 H5'' DA A 5 -3.436 -8.675 4.300 1.00 10.00 H new ATOM 0 H4' DA A 5 -1.440 -7.669 5.284 1.00 10.00 H new ATOM 0 H3' DA A 5 -3.969 -8.081 6.807 1.00 10.00 H new ATOM 0 H2' DA A 5 -3.845 -6.044 7.938 1.00 10.00 H new ATOM 0 H2'' DA A 5 -2.423 -6.713 8.713 1.00 10.00 H new ATOM 0 H1' DA A 5 -0.923 -5.618 7.209 1.00 10.00 H new ATOM 0 H8 DA A 5 -4.400 -4.008 6.893 1.00 10.00 H new ATOM 0 H61 DA A 5 -1.478 1.281 8.229 1.00 10.00 H new ATOM 0 H62 DA A 5 -3.029 0.535 7.829 1.00 10.00 H new ATOM 0 H2 DA A 5 1.533 -2.034 8.361 1.00 10.00 H new ATOM 158 P DT A 6 -2.522 -9.619 8.644 1.00 10.00 P ATOM 159 OP1 DT A 6 -1.901 -10.959 8.550 1.00 10.00 O ATOM 160 OP2 DT A 6 -3.970 -9.495 8.917 1.00 10.00 O ATOM 161 O5' DT A 6 -1.726 -8.777 9.762 1.00 10.00 O ATOM 162 C5' DT A 6 -0.314 -8.762 9.791 1.00 10.00 C ATOM 163 C4' DT A 6 0.204 -7.686 10.746 1.00 10.00 C ATOM 164 O4' DT A 6 -0.123 -6.395 10.272 1.00 10.00 O ATOM 165 C3' DT A 6 -0.389 -7.742 12.154 1.00 10.00 C ATOM 166 O3' DT A 6 0.336 -8.617 12.991 1.00 10.00 O ATOM 167 C2' DT A 6 -0.282 -6.292 12.626 1.00 10.00 C ATOM 168 C1' DT A 6 0.043 -5.497 11.353 1.00 10.00 C ATOM 169 N1 DT A 6 -0.851 -4.320 11.187 1.00 10.00 N ATOM 170 C2 DT A 6 -0.294 -3.042 11.235 1.00 10.00 C ATOM 171 O2 DT A 6 0.905 -2.830 11.397 1.00 10.00 O ATOM 172 N3 DT A 6 -1.178 -1.984 11.087 1.00 10.00 N ATOM 173 C4 DT A 6 -2.548 -2.080 10.900 1.00 10.00 C ATOM 174 O4 DT A 6 -3.220 -1.059 10.771 1.00 10.00 O ATOM 175 C5 DT A 6 -3.051 -3.442 10.866 1.00 10.00 C ATOM 176 C7 DT A 6 -4.538 -3.680 10.688 1.00 10.00 C ATOM 177 C6 DT A 6 -2.204 -4.494 11.008 1.00 10.00 C ATOM 0 H5' DT A 6 0.072 -8.579 8.788 1.00 10.00 H new ATOM 0 H5'' DT A 6 0.057 -9.738 10.102 1.00 10.00 H new ATOM 0 H4' DT A 6 1.276 -7.880 10.790 1.00 10.00 H new ATOM 0 H3' DT A 6 -1.409 -8.125 12.174 1.00 10.00 H new ATOM 0 H2' DT A 6 -1.213 -5.952 13.079 1.00 10.00 H new ATOM 0 H2'' DT A 6 0.499 -6.176 13.377 1.00 10.00 H new ATOM 0 HO3' DT A 6 -0.069 -8.627 13.883 1.00 10.00 H new ATOM 0 H1' DT A 6 1.058 -5.103 11.404 1.00 10.00 H new ATOM 0 H3 DT A 6 -0.782 -1.045 11.119 1.00 10.00 H new ATOM 0 H71 DT A 6 -4.696 -4.626 10.170 1.00 10.00 H new ATOM 0 H72 DT A 6 -5.020 -3.716 11.665 1.00 10.00 H new ATOM 0 H73 DT A 6 -4.969 -2.869 10.101 1.00 10.00 H new ATOM 0 H6 DT A 6 -2.604 -5.497 10.980 1.00 10.00 H new TER 191 DT A 6 ATOM 192 O5' DA B 1 2.685 8.179 13.561 1.00 10.00 O ATOM 193 C5' DA B 1 3.958 7.721 13.966 1.00 10.00 C ATOM 194 C4' DA B 1 4.317 6.407 13.265 1.00 10.00 C ATOM 195 O4' DA B 1 3.347 5.408 13.529 1.00 10.00 O ATOM 196 C3' DA B 1 4.369 6.527 11.743 1.00 10.00 C ATOM 197 O3' DA B 1 5.621 7.035 11.316 1.00 10.00 O ATOM 198 C2' DA B 1 4.129 5.083 11.315 1.00 10.00 C ATOM 199 C1' DA B 1 3.411 4.434 12.498 1.00 10.00 C ATOM 200 N9 DA B 1 2.061 3.988 12.115 1.00 10.00 N ATOM 201 C8 DA B 1 0.941 4.755 12.020 1.00 10.00 C ATOM 202 N7 DA B 1 -0.144 4.102 11.709 1.00 10.00 N ATOM 203 C5 DA B 1 0.302 2.791 11.571 1.00 10.00 C ATOM 204 C6 DA B 1 -0.349 1.581 11.247 1.00 10.00 C ATOM 205 N6 DA B 1 -1.665 1.499 11.016 1.00 10.00 N ATOM 206 N1 DA B 1 0.395 0.463 11.157 1.00 10.00 N ATOM 207 C2 DA B 1 1.706 0.532 11.380 1.00 10.00 C ATOM 208 N3 DA B 1 2.432 1.600 11.703 1.00 10.00 N ATOM 209 C4 DA B 1 1.657 2.716 11.786 1.00 10.00 C ATOM 0 H5' DA B 1 3.970 7.576 15.046 1.00 10.00 H new ATOM 0 H5'' DA B 1 4.710 8.476 13.738 1.00 10.00 H new ATOM 0 H4' DA B 1 5.301 6.150 13.657 1.00 10.00 H new ATOM 0 H3' DA B 1 3.648 7.221 11.311 1.00 10.00 H new ATOM 0 H2' DA B 1 3.522 5.035 10.411 1.00 10.00 H new ATOM 0 H2'' DA B 1 5.068 4.575 11.096 1.00 10.00 H new ATOM 0 HO5' DA B 1 2.150 7.421 13.246 1.00 10.00 H new ATOM 0 H1' DA B 1 3.950 3.549 12.835 1.00 10.00 H new ATOM 0 H8 DA B 1 0.950 5.822 12.189 1.00 10.00 H new ATOM 0 H61 DA B 1 -2.087 0.600 10.785 1.00 10.00 H new ATOM 0 H62 DA B 1 -2.245 2.336 11.071 1.00 10.00 H new ATOM 0 H2 DA B 1 2.249 -0.397 11.287 1.00 10.00 H new ATOM 222 P DT B 2 5.878 7.504 9.790 1.00 10.00 P ATOM 223 OP1 DT B 2 7.225 8.113 9.720 1.00 10.00 O ATOM 224 OP2 DT B 2 4.700 8.279 9.341 1.00 10.00 O ATOM 225 O5' DT B 2 5.905 6.120 8.964 1.00 10.00 O ATOM 226 C5' DT B 2 7.039 5.270 8.962 1.00 10.00 C ATOM 227 C4' DT B 2 6.691 3.970 8.229 1.00 10.00 C ATOM 228 O4' DT B 2 5.546 3.385 8.815 1.00 10.00 O ATOM 229 C3' DT B 2 6.363 4.197 6.751 1.00 10.00 C ATOM 230 O3' DT B 2 7.529 3.989 5.966 1.00 10.00 O ATOM 231 C2' DT B 2 5.258 3.182 6.473 1.00 10.00 C ATOM 232 C1' DT B 2 4.874 2.611 7.841 1.00 10.00 C ATOM 233 N1 DT B 2 3.412 2.719 8.060 1.00 10.00 N ATOM 234 C2 DT B 2 2.644 1.567 8.223 1.00 10.00 C ATOM 235 O2 DT B 2 3.119 0.434 8.254 1.00 10.00 O ATOM 236 N3 DT B 2 1.275 1.763 8.349 1.00 10.00 N ATOM 237 C4 DT B 2 0.623 2.989 8.349 1.00 10.00 C ATOM 238 O4 DT B 2 -0.602 3.030 8.426 1.00 10.00 O ATOM 239 C5 DT B 2 1.506 4.139 8.242 1.00 10.00 C ATOM 240 C7 DT B 2 0.947 5.546 8.327 1.00 10.00 C ATOM 241 C6 DT B 2 2.842 3.963 8.093 1.00 10.00 C ATOM 0 H5' DT B 2 7.348 5.054 9.985 1.00 10.00 H new ATOM 0 H5'' DT B 2 7.878 5.764 8.473 1.00 10.00 H new ATOM 0 H4' DT B 2 7.569 3.329 8.309 1.00 10.00 H new ATOM 0 H3' DT B 2 6.036 5.208 6.508 1.00 10.00 H new ATOM 0 H2' DT B 2 4.403 3.655 5.991 1.00 10.00 H new ATOM 0 H2'' DT B 2 5.607 2.396 5.803 1.00 10.00 H new ATOM 0 H1' DT B 2 5.150 1.558 7.901 1.00 10.00 H new ATOM 0 H3 DT B 2 0.695 0.930 8.451 1.00 10.00 H new ATOM 0 H71 DT B 2 1.699 6.211 8.752 1.00 10.00 H new ATOM 0 H72 DT B 2 0.679 5.892 7.329 1.00 10.00 H new ATOM 0 H73 DT B 2 0.061 5.548 8.962 1.00 10.00 H new ATOM 0 H6 DT B 2 3.476 4.832 7.997 1.00 10.00 H new ATOM 254 P DG B 3 7.534 4.095 4.350 1.00 10.00 P ATOM 255 OP1 DG B 3 8.877 4.552 3.928 1.00 10.00 O ATOM 256 OP2 DG B 3 6.337 4.855 3.925 1.00 10.00 O ATOM 257 O5' DG B 3 7.351 2.568 3.852 1.00 10.00 O ATOM 258 C5' DG B 3 8.299 1.558 4.156 1.00 10.00 C ATOM 259 C4' DG B 3 7.983 0.266 3.386 1.00 10.00 C ATOM 260 O4' DG B 3 6.592 -0.033 3.435 1.00 10.00 O ATOM 261 C3' DG B 3 8.389 0.366 1.912 1.00 10.00 C ATOM 262 O3' DG B 3 8.919 -0.888 1.514 1.00 10.00 O ATOM 263 C2' DG B 3 7.063 0.699 1.241 1.00 10.00 C ATOM 264 C1' DG B 3 6.056 -0.047 2.119 1.00 10.00 C ATOM 265 N9 DG B 3 4.710 0.578 2.115 1.00 10.00 N ATOM 266 C8 DG B 3 4.391 1.908 2.235 1.00 10.00 C ATOM 267 N7 DG B 3 3.114 2.164 2.168 1.00 10.00 N ATOM 268 C5 DG B 3 2.534 0.912 2.009 1.00 10.00 C ATOM 269 C6 DG B 3 1.161 0.557 1.850 1.00 10.00 C ATOM 270 O6 DG B 3 0.190 1.308 1.819 1.00 10.00 O ATOM 271 N1 DG B 3 0.969 -0.813 1.727 1.00 10.00 N ATOM 272 C2 DG B 3 1.991 -1.744 1.752 1.00 10.00 C ATOM 273 N2 DG B 3 1.639 -3.026 1.615 1.00 10.00 N ATOM 274 N3 DG B 3 3.289 -1.412 1.874 1.00 10.00 N ATOM 275 C4 DG B 3 3.497 -0.071 2.000 1.00 10.00 C ATOM 0 H5' DG B 3 8.294 1.359 5.228 1.00 10.00 H new ATOM 0 H5'' DG B 3 9.301 1.904 3.900 1.00 10.00 H new ATOM 0 H4' DG B 3 8.558 -0.524 3.870 1.00 10.00 H new ATOM 0 H3' DG B 3 9.156 1.102 1.670 1.00 10.00 H new ATOM 0 H2' DG B 3 6.873 1.772 1.226 1.00 10.00 H new ATOM 0 H2'' DG B 3 7.033 0.356 0.207 1.00 10.00 H new ATOM 0 H1' DG B 3 5.915 -1.057 1.735 1.00 10.00 H new ATOM 0 H8 DG B 3 5.136 2.678 2.373 1.00 10.00 H new ATOM 0 H1 DG B 3 0.015 -1.154 1.611 1.00 10.00 H new ATOM 0 H21 DG B 3 2.353 -3.755 1.626 1.00 10.00 H new ATOM 0 H22 DG B 3 0.657 -3.276 1.499 1.00 10.00 H new ATOM 287 P DC B 4 9.518 -1.154 0.036 1.00 10.00 P ATOM 288 OP1 DC B 4 10.692 -2.045 0.163 1.00 10.00 O ATOM 289 OP2 DC B 4 9.650 0.142 -0.666 1.00 10.00 O ATOM 290 O5' DC B 4 8.324 -1.982 -0.658 1.00 10.00 O ATOM 291 C5' DC B 4 8.102 -3.347 -0.352 1.00 10.00 C ATOM 292 C4' DC B 4 6.776 -3.806 -0.964 1.00 10.00 C ATOM 293 O4' DC B 4 5.728 -2.996 -0.471 1.00 10.00 O ATOM 294 C3' DC B 4 6.718 -3.699 -2.492 1.00 10.00 C ATOM 295 O3' DC B 4 7.072 -4.931 -3.107 1.00 10.00 O ATOM 296 C2' DC B 4 5.372 -3.048 -2.801 1.00 10.00 C ATOM 297 C1' DC B 4 4.691 -2.966 -1.434 1.00 10.00 C ATOM 298 N1 DC B 4 3.971 -1.673 -1.327 1.00 10.00 N ATOM 299 C2 DC B 4 2.577 -1.636 -1.385 1.00 10.00 C ATOM 300 O2 DC B 4 1.915 -2.662 -1.517 1.00 10.00 O ATOM 301 N3 DC B 4 1.958 -0.421 -1.293 1.00 10.00 N ATOM 302 C4 DC B 4 2.672 0.711 -1.183 1.00 10.00 C ATOM 303 N4 DC B 4 2.022 1.873 -1.088 1.00 10.00 N ATOM 304 C5 DC B 4 4.106 0.692 -1.164 1.00 10.00 C ATOM 305 C6 DC B 4 4.700 -0.516 -1.237 1.00 10.00 C ATOM 0 H5' DC B 4 8.083 -3.489 0.729 1.00 10.00 H new ATOM 0 H5'' DC B 4 8.921 -3.954 -0.738 1.00 10.00 H new ATOM 0 H4' DC B 4 6.679 -4.856 -0.688 1.00 10.00 H new ATOM 0 H3' DC B 4 7.469 -3.055 -2.949 1.00 10.00 H new ATOM 0 H2' DC B 4 5.497 -2.061 -3.247 1.00 10.00 H new ATOM 0 H2'' DC B 4 4.790 -3.644 -3.504 1.00 10.00 H new ATOM 0 H1' DC B 4 3.982 -3.781 -1.289 1.00 10.00 H new ATOM 0 H41 DC B 4 2.545 2.745 -1.004 1.00 10.00 H new ATOM 0 H42 DC B 4 1.002 1.889 -1.100 1.00 10.00 H new ATOM 0 H5 DC B 4 4.683 1.602 -1.094 1.00 10.00 H new ATOM 0 H6 DC B 4 5.778 -0.573 -1.224 1.00 10.00 H new ATOM 317 P DA B 5 6.027 -6.053 -3.626 1.00 10.00 P ATOM 318 OP1 DA B 5 5.003 -6.216 -2.570 1.00 10.00 O ATOM 319 OP2 DA B 5 6.815 -7.231 -4.054 1.00 10.00 O ATOM 320 O5' DA B 5 5.298 -5.459 -4.942 1.00 10.00 O ATOM 321 C5' DA B 5 4.003 -5.913 -5.291 1.00 10.00 C ATOM 322 C4' DA B 5 3.438 -5.282 -6.568 1.00 10.00 C ATOM 323 O4' DA B 5 3.069 -3.924 -6.388 1.00 10.00 O ATOM 324 C3' DA B 5 4.364 -5.306 -7.792 1.00 10.00 C ATOM 325 O3' DA B 5 4.095 -6.458 -8.575 1.00 10.00 O ATOM 326 C2' DA B 5 4.049 -3.976 -8.497 1.00 10.00 C ATOM 327 C1' DA B 5 2.914 -3.361 -7.679 1.00 10.00 C ATOM 328 N9 DA B 5 2.937 -1.886 -7.651 1.00 10.00 N ATOM 329 C8 DA B 5 3.984 -1.071 -7.336 1.00 10.00 C ATOM 330 N7 DA B 5 3.688 0.199 -7.283 1.00 10.00 N ATOM 331 C5 DA B 5 2.332 0.227 -7.594 1.00 10.00 C ATOM 332 C6 DA B 5 1.381 1.267 -7.673 1.00 10.00 C ATOM 333 N6 DA B 5 1.675 2.549 -7.426 1.00 10.00 N ATOM 334 N1 DA B 5 0.114 0.951 -7.998 1.00 10.00 N ATOM 335 C2 DA B 5 -0.199 -0.321 -8.234 1.00 10.00 C ATOM 336 N3 DA B 5 0.596 -1.386 -8.185 1.00 10.00 N ATOM 337 C4 DA B 5 1.869 -1.041 -7.849 1.00 10.00 C ATOM 0 H5' DA B 5 3.323 -5.705 -4.465 1.00 10.00 H new ATOM 0 H5'' DA B 5 4.031 -6.995 -5.416 1.00 10.00 H new ATOM 0 H4' DA B 5 2.578 -5.922 -6.765 1.00 10.00 H new ATOM 0 H3' DA B 5 5.428 -5.379 -7.565 1.00 10.00 H new ATOM 0 H2' DA B 5 4.921 -3.323 -8.517 1.00 10.00 H new ATOM 0 H2'' DA B 5 3.748 -4.138 -9.532 1.00 10.00 H new ATOM 0 H1' DA B 5 1.943 -3.585 -8.121 1.00 10.00 H new ATOM 0 H8 DA B 5 4.979 -1.446 -7.146 1.00 10.00 H new ATOM 0 H61 DA B 5 0.949 3.262 -7.498 1.00 10.00 H new ATOM 0 H62 DA B 5 2.625 2.813 -7.166 1.00 10.00 H new ATOM 0 H2 DA B 5 -1.228 -0.512 -8.499 1.00 10.00 H new ATOM 349 P DT B 6 4.864 -6.770 -9.964 1.00 10.00 P ATOM 350 OP1 DT B 6 4.762 -8.221 -10.237 1.00 10.00 O ATOM 351 OP2 DT B 6 6.191 -6.117 -9.932 1.00 10.00 O ATOM 352 O5' DT B 6 3.947 -5.994 -11.038 1.00 10.00 O ATOM 353 C5' DT B 6 2.628 -6.421 -11.315 1.00 10.00 C ATOM 354 C4' DT B 6 1.856 -5.346 -12.083 1.00 10.00 C ATOM 355 O4' DT B 6 1.695 -4.182 -11.297 1.00 10.00 O ATOM 356 C3' DT B 6 2.548 -4.852 -13.352 1.00 10.00 C ATOM 357 O3' DT B 6 2.287 -5.690 -14.457 1.00 10.00 O ATOM 358 C2' DT B 6 1.939 -3.462 -13.536 1.00 10.00 C ATOM 359 C1' DT B 6 1.323 -3.131 -12.169 1.00 10.00 C ATOM 360 N1 DT B 6 1.814 -1.829 -11.642 1.00 10.00 N ATOM 361 C2 DT B 6 0.900 -0.793 -11.442 1.00 10.00 C ATOM 362 O2 DT B 6 -0.308 -0.908 -11.635 1.00 10.00 O ATOM 363 N3 DT B 6 1.428 0.414 -11.007 1.00 10.00 N ATOM 364 C4 DT B 6 2.766 0.678 -10.752 1.00 10.00 C ATOM 365 O4 DT B 6 3.109 1.797 -10.378 1.00 10.00 O ATOM 366 C5 DT B 6 3.648 -0.457 -10.960 1.00 10.00 C ATOM 367 C7 DT B 6 5.136 -0.301 -10.711 1.00 10.00 C ATOM 368 C6 DT B 6 3.154 -1.646 -11.391 1.00 10.00 C ATOM 0 H5' DT B 6 2.112 -6.649 -10.382 1.00 10.00 H new ATOM 0 H5'' DT B 6 2.654 -7.342 -11.898 1.00 10.00 H new ATOM 0 H4' DT B 6 0.918 -5.840 -12.336 1.00 10.00 H new ATOM 0 H3' DT B 6 3.635 -4.844 -13.276 1.00 10.00 H new ATOM 0 H2' DT B 6 2.696 -2.731 -13.818 1.00 10.00 H new ATOM 0 H2'' DT B 6 1.185 -3.460 -14.323 1.00 10.00 H new ATOM 0 HO3' DT B 6 2.746 -5.339 -15.249 1.00 10.00 H new ATOM 0 H1' DT B 6 0.240 -3.040 -12.256 1.00 10.00 H new ATOM 0 H3 DT B 6 0.770 1.180 -10.861 1.00 10.00 H new ATOM 0 H71 DT B 6 5.553 -1.256 -10.391 1.00 10.00 H new ATOM 0 H72 DT B 6 5.627 0.020 -11.630 1.00 10.00 H new ATOM 0 H73 DT B 6 5.298 0.445 -9.933 1.00 10.00 H new ATOM 0 H6 DT B 6 3.833 -2.472 -11.541 1.00 10.00 H new TER 382 DT B 6 HETATM 383 O11 NF A 7 1.548 2.994 -3.856 1.00 10.00 O HETATM 384 C11 NF A 7 0.588 2.339 -4.162 1.00 10.00 C HETATM 385 N21 NF A 7 -0.675 2.930 -4.275 1.00 10.00 N HETATM 386 C12 NF A 7 -0.786 4.407 -4.133 1.00 10.00 C HETATM 387 C31 NF A 7 -1.841 2.223 -4.587 1.00 10.00 C HETATM 388 O31 NF A 7 -2.900 2.785 -4.644 1.00 10.00 O HETATM 389 CX3 NF A 7 -1.724 0.751 -4.836 1.00 10.00 C HETATM 390 CXD NF A 7 -0.460 0.114 -4.752 1.00 10.00 C HETATM 391 CXT NF A 7 0.699 0.867 -4.425 1.00 10.00 C HETATM 392 C91 NF A 7 1.928 0.247 -4.350 1.00 10.00 C HETATM 393 C81 NF A 7 2.048 -1.133 -4.577 1.00 10.00 C HETATM 394 C71 NF A 7 0.921 -1.903 -4.895 1.00 10.00 C HETATM 395 CXN NF A 7 -0.356 -1.285 -4.992 1.00 10.00 C HETATM 396 C61 NF A 7 -1.532 -2.017 -5.321 1.00 10.00 C HETATM 397 C51 NF A 7 -2.768 -1.362 -5.391 1.00 10.00 C HETATM 398 C41 NF A 7 -2.848 0.016 -5.144 1.00 10.00 C HETATM 399 C22 NF A 7 -1.346 4.886 -2.791 1.00 10.00 C HETATM 400 N32 NF A 7 -0.404 4.692 -1.672 1.00 10.00 N HETATM 401 C42 NF A 7 -0.872 5.318 -0.414 1.00 10.00 C HETATM 402 C52 NF A 7 0.280 5.632 0.550 1.00 10.00 C HETATM 403 C62 NF A 7 0.765 4.420 1.363 1.00 10.00 C HETATM 404 N72 NF A 7 -0.139 4.001 2.465 1.00 10.00 N HETATM 405 C82 NF A 7 0.159 4.541 3.813 1.00 10.00 C HETATM 406 O13 NF A 7 -2.455 1.827 4.511 1.00 10.00 O HETATM 407 C13 NF A 7 -1.348 1.390 4.672 1.00 10.00 C HETATM 408 N23 NF A 7 -0.254 2.244 4.865 1.00 10.00 N HETATM 409 C92 NF A 7 -0.496 3.715 4.929 1.00 10.00 C HETATM 410 C33 NF A 7 1.052 1.790 5.083 1.00 10.00 C HETATM 411 O33 NF A 7 1.946 2.568 5.277 1.00 10.00 O HETATM 412 CX5 NF A 7 1.300 0.312 5.056 1.00 10.00 C HETATM 413 CXF NF A 7 0.223 -0.584 4.843 1.00 10.00 C HETATM 414 CXV NF A 7 -1.094 -0.086 4.664 1.00 10.00 C HETATM 415 C93 NF A 7 -2.144 -0.958 4.483 1.00 10.00 C HETATM 416 C83 NF A 7 -1.923 -2.343 4.440 1.00 10.00 C HETATM 417 C73 NF A 7 -0.631 -2.864 4.581 1.00 10.00 C HETATM 418 CXP NF A 7 0.465 -1.986 4.805 1.00 10.00 C HETATM 419 C63 NF A 7 1.795 -2.461 4.993 1.00 10.00 C HETATM 420 C53 NF A 7 2.839 -1.551 5.207 1.00 10.00 C HETATM 421 C43 NF A 7 2.577 -0.173 5.234 1.00 10.00 C HETATM 0 H922 NF A 7 -0.136 4.084 5.889 1.00 10.00 H new HETATM 0 H912 NF A 7 -1.572 3.890 4.904 1.00 10.00 H new HETATM 0 H822 NF A 7 1.238 4.560 3.964 1.00 10.00 H new HETATM 0 H812 NF A 7 -0.190 5.572 3.874 1.00 10.00 H new HETATM 0 H722 NF A 7 -1.090 4.272 2.217 1.00 10.00 H new HETATM 0 H712 NF A 7 -0.124 2.983 2.520 1.00 10.00 H new HETATM 0 H622 NF A 7 0.901 3.578 0.685 1.00 10.00 H new HETATM 0 H612 NF A 7 1.743 4.652 1.784 1.00 10.00 H new HETATM 0 H522 NF A 7 1.118 6.033 -0.020 1.00 10.00 H new HETATM 0 H512 NF A 7 -0.040 6.414 1.239 1.00 10.00 H new HETATM 0 H422 NF A 7 -1.407 6.238 -0.647 1.00 10.00 H new HETATM 0 H412 NF A 7 -1.581 4.652 0.077 1.00 10.00 H new HETATM 0 H322 NF A 7 -0.265 3.693 -1.519 1.00 10.00 H new HETATM 0 H312 NF A 7 0.503 5.084 -1.925 1.00 10.00 H new HETATM 0 H222 NF A 7 -1.600 5.943 -2.866 1.00 10.00 H new HETATM 0 H212 NF A 7 -2.271 4.350 -2.577 1.00 10.00 H new HETATM 0 H122 NF A 7 0.201 4.846 -4.276 1.00 10.00 H new HETATM 0 H112 NF A 7 -1.422 4.787 -4.932 1.00 10.00 H new HETATM 0 H93 NF A 7 -3.156 -0.569 4.372 1.00 10.00 H new HETATM 0 H91 NF A 7 2.815 0.834 -4.112 1.00 10.00 H new HETATM 0 H83 NF A 7 -2.765 -3.020 4.295 1.00 10.00 H new HETATM 0 H81 NF A 7 3.026 -1.610 -4.505 1.00 10.00 H new HETATM 0 H73 NF A 7 -0.466 -3.940 4.519 1.00 10.00 H new HETATM 0 H71 NF A 7 1.023 -2.974 -5.068 1.00 10.00 H new HETATM 0 H63 NF A 7 2.000 -3.531 4.970 1.00 10.00 H new HETATM 0 H61 NF A 7 -1.470 -3.087 -5.518 1.00 10.00 H new HETATM 0 H53 NF A 7 3.856 -1.914 5.353 1.00 10.00 H new HETATM 0 H51 NF A 7 -3.669 -1.924 -5.638 1.00 10.00 H new HETATM 0 H43 NF A 7 3.397 0.525 5.399 1.00 10.00 H new HETATM 0 H41 NF A 7 -3.816 0.514 -5.197 1.00 10.00 H new