USER MOD reduce.3.24.130724 H: found=0, std=0, add=170, rem=0, adj=5 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 24:sc= 0.00311 USER MOD Single : A 2 DT C7 :methyl 150:sc= -0.0134 (180deg=-0.0134) 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 26:sc= 0.00265 USER MOD Single : B 2 DT C7 :methyl -30:sc= -0.0819 (180deg=-0.101) 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 -4.387 12.847 -7.670 1.00 10.00 O ATOM 2 C5' DA A 1 -5.739 13.045 -7.315 1.00 10.00 C ATOM 3 C4' DA A 1 -6.350 11.762 -6.742 1.00 10.00 C ATOM 4 O4' DA A 1 -6.251 10.693 -7.667 1.00 10.00 O ATOM 5 C3' DA A 1 -5.645 11.268 -5.480 1.00 10.00 C ATOM 6 O3' DA A 1 -6.119 11.944 -4.329 1.00 10.00 O ATOM 7 C2' DA A 1 -6.002 9.786 -5.492 1.00 10.00 C ATOM 8 C1' DA A 1 -6.327 9.470 -6.952 1.00 10.00 C ATOM 9 N9 DA A 1 -5.385 8.479 -7.501 1.00 10.00 N ATOM 10 C8 DA A 1 -4.128 8.713 -7.967 1.00 10.00 C ATOM 11 N7 DA A 1 -3.530 7.671 -8.473 1.00 10.00 N ATOM 12 C5 DA A 1 -4.466 6.655 -8.307 1.00 10.00 C ATOM 13 C6 DA A 1 -4.467 5.282 -8.635 1.00 10.00 C ATOM 14 N6 DA A 1 -3.450 4.681 -9.264 1.00 10.00 N ATOM 15 N1 DA A 1 -5.541 4.546 -8.292 1.00 10.00 N ATOM 16 C2 DA A 1 -6.561 5.133 -7.670 1.00 10.00 C ATOM 17 N3 DA A 1 -6.690 6.411 -7.324 1.00 10.00 N ATOM 18 C4 DA A 1 -5.591 7.132 -7.678 1.00 10.00 C ATOM 0 H5' DA A 1 -6.306 13.362 -8.190 1.00 10.00 H new ATOM 0 H5'' DA A 1 -5.812 13.847 -6.580 1.00 10.00 H new ATOM 0 H4' DA A 1 -7.383 12.029 -6.519 1.00 10.00 H new ATOM 0 H3' DA A 1 -4.570 11.447 -5.458 1.00 10.00 H new ATOM 0 H2' DA A 1 -5.173 9.177 -5.131 1.00 10.00 H new ATOM 0 H2'' DA A 1 -6.854 9.580 -4.844 1.00 10.00 H new ATOM 0 HO5' DA A 1 -4.231 11.895 -7.845 1.00 10.00 H new ATOM 0 H1' DA A 1 -7.322 9.034 -7.038 1.00 10.00 H new ATOM 0 H8 DA A 1 -3.662 9.686 -7.921 1.00 10.00 H new ATOM 0 H61 DA A 1 -3.500 3.685 -9.478 1.00 10.00 H new ATOM 0 H62 DA A 1 -2.625 5.219 -9.529 1.00 10.00 H new ATOM 0 H2 DA A 1 -7.390 4.490 -7.414 1.00 10.00 H new ATOM 31 P DT A 2 -5.387 11.804 -2.894 1.00 10.00 P ATOM 32 OP1 DT A 2 -6.048 12.733 -1.951 1.00 10.00 O ATOM 33 OP2 DT A 2 -3.926 11.899 -3.113 1.00 10.00 O ATOM 34 O5' DT A 2 -5.722 10.295 -2.437 1.00 10.00 O ATOM 35 C5' DT A 2 -6.978 9.938 -1.887 1.00 10.00 C ATOM 36 C4' DT A 2 -7.034 8.417 -1.707 1.00 10.00 C ATOM 37 O4' DT A 2 -6.756 7.780 -2.939 1.00 10.00 O ATOM 38 C3' DT A 2 -5.996 7.906 -0.705 1.00 10.00 C ATOM 39 O3' DT A 2 -6.581 7.793 0.584 1.00 10.00 O ATOM 40 C2' DT A 2 -5.572 6.563 -1.290 1.00 10.00 C ATOM 41 C1' DT A 2 -6.205 6.503 -2.683 1.00 10.00 C ATOM 42 N1 DT A 2 -5.179 6.198 -3.708 1.00 10.00 N ATOM 43 C2 DT A 2 -5.258 5.019 -4.448 1.00 10.00 C ATOM 44 O2 DT A 2 -6.175 4.209 -4.334 1.00 10.00 O ATOM 45 N3 DT A 2 -4.218 4.790 -5.339 1.00 10.00 N ATOM 46 C4 DT A 2 -3.128 5.624 -5.553 1.00 10.00 C ATOM 47 O4 DT A 2 -2.241 5.284 -6.331 1.00 10.00 O ATOM 48 C5 DT A 2 -3.155 6.856 -4.782 1.00 10.00 C ATOM 49 C7 DT A 2 -2.066 7.897 -4.957 1.00 10.00 C ATOM 50 C6 DT A 2 -4.152 7.085 -3.894 1.00 10.00 C ATOM 0 H5' DT A 2 -7.783 10.269 -2.543 1.00 10.00 H new ATOM 0 H5'' DT A 2 -7.123 10.436 -0.928 1.00 10.00 H new ATOM 0 H4' DT A 2 -8.035 8.188 -1.340 1.00 10.00 H new ATOM 0 H3' DT A 2 -5.140 8.566 -0.567 1.00 10.00 H new ATOM 0 H2' DT A 2 -4.486 6.486 -1.349 1.00 10.00 H new ATOM 0 H2'' DT A 2 -5.916 5.738 -0.667 1.00 10.00 H new ATOM 0 H1' DT A 2 -6.964 5.722 -2.722 1.00 10.00 H new ATOM 0 H3 DT A 2 -4.258 3.930 -5.887 1.00 10.00 H new ATOM 0 H71 DT A 2 -2.475 8.888 -4.761 1.00 10.00 H new ATOM 0 H72 DT A 2 -1.254 7.695 -4.258 1.00 10.00 H new ATOM 0 H73 DT A 2 -1.685 7.857 -5.977 1.00 10.00 H new ATOM 0 H6 DT A 2 -4.137 7.996 -3.314 1.00 10.00 H new ATOM 63 P DG A 3 -5.762 7.261 1.875 1.00 10.00 P ATOM 64 OP1 DG A 3 -6.337 7.906 3.076 1.00 10.00 O ATOM 65 OP2 DG A 3 -4.314 7.394 1.598 1.00 10.00 O ATOM 66 O5' DG A 3 -6.104 5.682 1.947 1.00 10.00 O ATOM 67 C5' DG A 3 -7.418 5.201 2.175 1.00 10.00 C ATOM 68 C4' DG A 3 -7.402 3.685 2.429 1.00 10.00 C ATOM 69 O4' DG A 3 -6.541 3.011 1.517 1.00 10.00 O ATOM 70 C3' DG A 3 -6.926 3.351 3.845 1.00 10.00 C ATOM 71 O3' DG A 3 -7.682 2.245 4.313 1.00 10.00 O ATOM 72 C2' DG A 3 -5.458 3.021 3.616 1.00 10.00 C ATOM 73 C1' DG A 3 -5.483 2.380 2.228 1.00 10.00 C ATOM 74 N9 DG A 3 -4.208 2.552 1.487 1.00 10.00 N ATOM 75 C8 DG A 3 -3.460 3.692 1.325 1.00 10.00 C ATOM 76 N7 DG A 3 -2.375 3.528 0.621 1.00 10.00 N ATOM 77 C5 DG A 3 -2.404 2.183 0.276 1.00 10.00 C ATOM 78 C6 DG A 3 -1.467 1.414 -0.476 1.00 10.00 C ATOM 79 O6 DG A 3 -0.405 1.793 -0.963 1.00 10.00 O ATOM 80 N1 DG A 3 -1.874 0.095 -0.648 1.00 10.00 N ATOM 81 C2 DG A 3 -3.048 -0.429 -0.138 1.00 10.00 C ATOM 82 N2 DG A 3 -3.300 -1.716 -0.393 1.00 10.00 N ATOM 83 N3 DG A 3 -3.913 0.284 0.604 1.00 10.00 N ATOM 84 C4 DG A 3 -3.538 1.582 0.773 1.00 10.00 C ATOM 0 H5' DG A 3 -8.048 5.424 1.314 1.00 10.00 H new ATOM 0 H5'' DG A 3 -7.856 5.714 3.031 1.00 10.00 H new ATOM 0 H4' DG A 3 -8.430 3.350 2.293 1.00 10.00 H new ATOM 0 H3' DG A 3 -7.047 4.133 4.595 1.00 10.00 H new ATOM 0 H2' DG A 3 -4.832 3.913 3.641 1.00 10.00 H new ATOM 0 H2'' DG A 3 -5.071 2.338 4.373 1.00 10.00 H new ATOM 0 H1' DG A 3 -5.627 1.304 2.328 1.00 10.00 H new ATOM 0 H8 DG A 3 -3.746 4.645 1.746 1.00 10.00 H new ATOM 0 H1 DG A 3 -1.268 -0.525 -1.185 1.00 10.00 H new ATOM 0 H21 DG A 3 -4.153 -2.149 -0.039 1.00 10.00 H new ATOM 0 H22 DG A 3 -2.639 -2.266 -0.942 1.00 10.00 H new ATOM 96 P DC A 4 -7.538 1.659 5.813 1.00 10.00 P ATOM 97 OP1 DC A 4 -8.883 1.257 6.283 1.00 10.00 O ATOM 98 OP2 DC A 4 -6.728 2.602 6.616 1.00 10.00 O ATOM 99 O5' DC A 4 -6.665 0.327 5.573 1.00 10.00 O ATOM 100 C5' DC A 4 -7.248 -0.862 5.066 1.00 10.00 C ATOM 101 C4' DC A 4 -6.144 -1.870 4.740 1.00 10.00 C ATOM 102 O4' DC A 4 -5.267 -1.277 3.807 1.00 10.00 O ATOM 103 C3' DC A 4 -5.309 -2.263 5.967 1.00 10.00 C ATOM 104 O3' DC A 4 -5.617 -3.586 6.377 1.00 10.00 O ATOM 105 C2' DC A 4 -3.867 -2.123 5.493 1.00 10.00 C ATOM 106 C1' DC A 4 -3.987 -1.833 3.997 1.00 10.00 C ATOM 107 N1 DC A 4 -2.966 -0.838 3.606 1.00 10.00 N ATOM 108 C2 DC A 4 -1.915 -1.203 2.764 1.00 10.00 C ATOM 109 O2 DC A 4 -1.814 -2.344 2.319 1.00 10.00 O ATOM 110 N3 DC A 4 -0.986 -0.255 2.448 1.00 10.00 N ATOM 111 C4 DC A 4 -1.070 0.985 2.952 1.00 10.00 C ATOM 112 N4 DC A 4 -0.117 1.861 2.639 1.00 10.00 N ATOM 113 C5 DC A 4 -2.136 1.374 3.828 1.00 10.00 C ATOM 114 C6 DC A 4 -3.052 0.429 4.122 1.00 10.00 C ATOM 0 H5' DC A 4 -7.830 -0.642 4.171 1.00 10.00 H new ATOM 0 H5'' DC A 4 -7.936 -1.284 5.799 1.00 10.00 H new ATOM 0 H4' DC A 4 -6.628 -2.768 4.357 1.00 10.00 H new ATOM 0 H3' DC A 4 -5.506 -1.641 6.840 1.00 10.00 H new ATOM 0 H2' DC A 4 -3.354 -1.315 6.015 1.00 10.00 H new ATOM 0 H2'' DC A 4 -3.298 -3.034 5.677 1.00 10.00 H new ATOM 0 H1' DC A 4 -3.844 -2.735 3.402 1.00 10.00 H new ATOM 0 H41 DC A 4 -0.156 2.811 3.008 1.00 10.00 H new ATOM 0 H42 DC A 4 0.652 1.582 2.030 1.00 10.00 H new ATOM 0 H5 DC A 4 -2.202 2.373 4.232 1.00 10.00 H new ATOM 0 H6 DC A 4 -3.872 0.676 4.779 1.00 10.00 H new ATOM 126 P DA A 5 -5.168 -4.179 7.817 1.00 10.00 P ATOM 127 OP1 DA A 5 -5.956 -5.407 8.060 1.00 10.00 O ATOM 128 OP2 DA A 5 -5.218 -3.079 8.805 1.00 10.00 O ATOM 129 O5' DA A 5 -3.619 -4.609 7.641 1.00 10.00 O ATOM 130 C5' DA A 5 -3.238 -5.739 6.876 1.00 10.00 C ATOM 131 C4' DA A 5 -1.752 -6.052 7.089 1.00 10.00 C ATOM 132 O4' DA A 5 -0.921 -4.933 6.811 1.00 10.00 O ATOM 133 C3' DA A 5 -1.453 -6.485 8.533 1.00 10.00 C ATOM 134 O3' DA A 5 -1.207 -7.882 8.569 1.00 10.00 O ATOM 135 C2' DA A 5 -0.240 -5.631 8.918 1.00 10.00 C ATOM 136 C1' DA A 5 0.256 -5.078 7.586 1.00 10.00 C ATOM 137 N9 DA A 5 0.961 -3.791 7.747 1.00 10.00 N ATOM 138 C8 DA A 5 0.467 -2.651 8.309 1.00 10.00 C ATOM 139 N7 DA A 5 1.251 -1.614 8.219 1.00 10.00 N ATOM 140 C5 DA A 5 2.360 -2.110 7.544 1.00 10.00 C ATOM 141 C6 DA A 5 3.548 -1.507 7.081 1.00 10.00 C ATOM 142 N6 DA A 5 3.804 -0.203 7.235 1.00 10.00 N ATOM 143 N1 DA A 5 4.450 -2.275 6.441 1.00 10.00 N ATOM 144 C2 DA A 5 4.188 -3.569 6.266 1.00 10.00 C ATOM 145 N3 DA A 5 3.107 -4.251 6.640 1.00 10.00 N ATOM 146 C4 DA A 5 2.211 -3.450 7.281 1.00 10.00 C ATOM 0 H5' DA A 5 -3.429 -5.552 5.819 1.00 10.00 H new ATOM 0 H5'' DA A 5 -3.842 -6.600 7.162 1.00 10.00 H new ATOM 0 H4' DA A 5 -1.535 -6.865 6.396 1.00 10.00 H new ATOM 0 H3' DA A 5 -2.271 -6.330 9.237 1.00 10.00 H new ATOM 0 H2' DA A 5 -0.516 -4.831 9.605 1.00 10.00 H new ATOM 0 H2'' DA A 5 0.527 -6.226 9.414 1.00 10.00 H new ATOM 0 H1' DA A 5 0.987 -5.737 7.117 1.00 10.00 H new ATOM 0 H8 DA A 5 -0.499 -2.611 8.791 1.00 10.00 H new ATOM 0 H61 DA A 5 4.677 0.190 6.884 1.00 10.00 H new ATOM 0 H62 DA A 5 3.126 0.398 7.704 1.00 10.00 H new ATOM 0 H2 DA A 5 4.950 -4.139 5.755 1.00 10.00 H new ATOM 158 P DT A 6 -0.938 -8.683 9.949 1.00 10.00 P ATOM 159 OP1 DT A 6 -1.239 -10.114 9.721 1.00 10.00 O ATOM 160 OP2 DT A 6 -1.597 -7.960 11.059 1.00 10.00 O ATOM 161 O5' DT A 6 0.655 -8.529 10.125 1.00 10.00 O ATOM 162 C5' DT A 6 1.548 -9.177 9.243 1.00 10.00 C ATOM 163 C4' DT A 6 2.978 -8.666 9.434 1.00 10.00 C ATOM 164 O4' DT A 6 3.088 -7.311 9.046 1.00 10.00 O ATOM 165 C3' DT A 6 3.479 -8.695 10.878 1.00 10.00 C ATOM 166 O3' DT A 6 4.039 -9.947 11.211 1.00 10.00 O ATOM 167 C2' DT A 6 4.529 -7.584 10.894 1.00 10.00 C ATOM 168 C1' DT A 6 4.302 -6.821 9.582 1.00 10.00 C ATOM 169 N1 DT A 6 4.219 -5.352 9.801 1.00 10.00 N ATOM 170 C2 DT A 6 5.211 -4.535 9.259 1.00 10.00 C ATOM 171 O2 DT A 6 6.151 -4.961 8.592 1.00 10.00 O ATOM 172 N3 DT A 6 5.090 -3.177 9.511 1.00 10.00 N ATOM 173 C4 DT A 6 4.086 -2.565 10.244 1.00 10.00 C ATOM 174 O4 DT A 6 4.088 -1.343 10.378 1.00 10.00 O ATOM 175 C5 DT A 6 3.098 -3.483 10.783 1.00 10.00 C ATOM 176 C7 DT A 6 1.964 -2.940 11.630 1.00 10.00 C ATOM 177 C6 DT A 6 3.196 -4.818 10.549 1.00 10.00 C ATOM 0 H5' DT A 6 1.233 -9.009 8.213 1.00 10.00 H new ATOM 0 H5'' DT A 6 1.517 -10.253 9.414 1.00 10.00 H new ATOM 0 H4' DT A 6 3.571 -9.345 8.822 1.00 10.00 H new ATOM 0 H3' DT A 6 2.686 -8.547 11.611 1.00 10.00 H new ATOM 0 H2' DT A 6 4.404 -6.932 11.759 1.00 10.00 H new ATOM 0 H2'' DT A 6 5.538 -7.993 10.946 1.00 10.00 H new ATOM 0 HO3' DT A 6 4.350 -9.929 12.140 1.00 10.00 H new ATOM 0 H1' DT A 6 5.139 -6.978 8.901 1.00 10.00 H new ATOM 0 H3 DT A 6 5.810 -2.570 9.119 1.00 10.00 H new ATOM 0 H71 DT A 6 1.085 -3.573 11.511 1.00 10.00 H new ATOM 0 H72 DT A 6 2.265 -2.930 12.678 1.00 10.00 H new ATOM 0 H73 DT A 6 1.726 -1.925 11.312 1.00 10.00 H new ATOM 0 H6 DT A 6 2.449 -5.479 10.963 1.00 10.00 H new TER 191 DT A 6 ATOM 192 O5' DA B 1 13.749 3.418 6.866 1.00 10.00 O ATOM 193 C5' DA B 1 14.612 2.334 6.594 1.00 10.00 C ATOM 194 C4' DA B 1 13.819 1.092 6.174 1.00 10.00 C ATOM 195 O4' DA B 1 12.885 0.722 7.174 1.00 10.00 O ATOM 196 C3' DA B 1 12.990 1.303 4.909 1.00 10.00 C ATOM 197 O3' DA B 1 13.775 1.122 3.744 1.00 10.00 O ATOM 198 C2' DA B 1 11.911 0.237 5.069 1.00 10.00 C ATOM 199 C1' DA B 1 11.860 -0.051 6.568 1.00 10.00 C ATOM 200 N9 DA B 1 10.540 0.292 7.124 1.00 10.00 N ATOM 201 C8 DA B 1 10.096 1.527 7.483 1.00 10.00 C ATOM 202 N7 DA B 1 8.909 1.544 8.023 1.00 10.00 N ATOM 203 C5 DA B 1 8.527 0.206 7.996 1.00 10.00 C ATOM 204 C6 DA B 1 7.367 -0.476 8.424 1.00 10.00 C ATOM 205 N6 DA B 1 6.342 0.134 9.033 1.00 10.00 N ATOM 206 N1 DA B 1 7.290 -1.802 8.202 1.00 10.00 N ATOM 207 C2 DA B 1 8.305 -2.423 7.605 1.00 10.00 C ATOM 208 N3 DA B 1 9.452 -1.903 7.177 1.00 10.00 N ATOM 209 C4 DA B 1 9.503 -0.563 7.408 1.00 10.00 C ATOM 0 H5' DA B 1 15.207 2.108 7.479 1.00 10.00 H new ATOM 0 H5'' DA B 1 15.309 2.609 5.803 1.00 10.00 H new ATOM 0 H4' DA B 1 14.579 0.329 6.006 1.00 10.00 H new ATOM 0 H3' DA B 1 12.584 2.308 4.794 1.00 10.00 H new ATOM 0 H2' DA B 1 10.948 0.592 4.702 1.00 10.00 H new ATOM 0 H2'' DA B 1 12.156 -0.661 4.503 1.00 10.00 H new ATOM 0 HO5' DA B 1 12.871 3.077 7.138 1.00 10.00 H new ATOM 0 H1' DA B 1 12.015 -1.112 6.763 1.00 10.00 H new ATOM 0 H8 DA B 1 10.680 2.423 7.333 1.00 10.00 H new ATOM 0 H61 DA B 1 5.526 -0.406 9.322 1.00 10.00 H new ATOM 0 H62 DA B 1 6.377 1.138 9.207 1.00 10.00 H new ATOM 0 H2 DA B 1 8.181 -3.484 7.448 1.00 10.00 H new ATOM 222 P DT B 2 13.229 1.518 2.275 1.00 10.00 P ATOM 223 OP1 DT B 2 14.330 1.315 1.308 1.00 10.00 O ATOM 224 OP2 DT B 2 12.575 2.842 2.371 1.00 10.00 O ATOM 225 O5' DT B 2 12.086 0.420 1.979 1.00 10.00 O ATOM 226 C5' DT B 2 12.397 -0.894 1.548 1.00 10.00 C ATOM 227 C4' DT B 2 11.113 -1.730 1.507 1.00 10.00 C ATOM 228 O4' DT B 2 10.465 -1.679 2.764 1.00 10.00 O ATOM 229 C3' DT B 2 10.107 -1.208 0.478 1.00 10.00 C ATOM 230 O3' DT B 2 10.268 -1.895 -0.753 1.00 10.00 O ATOM 231 C2' DT B 2 8.756 -1.463 1.139 1.00 10.00 C ATOM 232 C1' DT B 2 9.078 -1.887 2.575 1.00 10.00 C ATOM 233 N1 DT B 2 8.317 -1.059 3.540 1.00 10.00 N ATOM 234 C2 DT B 2 7.354 -1.649 4.356 1.00 10.00 C ATOM 235 O2 DT B 2 7.112 -2.854 4.356 1.00 10.00 O ATOM 236 N3 DT B 2 6.654 -0.788 5.189 1.00 10.00 N ATOM 237 C4 DT B 2 6.827 0.587 5.274 1.00 10.00 C ATOM 238 O4 DT B 2 6.106 1.248 6.017 1.00 10.00 O ATOM 239 C5 DT B 2 7.879 1.113 4.420 1.00 10.00 C ATOM 240 C7 DT B 2 8.226 2.589 4.442 1.00 10.00 C ATOM 241 C6 DT B 2 8.561 0.287 3.589 1.00 10.00 C ATOM 0 H5' DT B 2 13.120 -1.350 2.225 1.00 10.00 H new ATOM 0 H5'' DT B 2 12.858 -0.866 0.561 1.00 10.00 H new ATOM 0 H4' DT B 2 11.417 -2.742 1.241 1.00 10.00 H new ATOM 0 H3' DT B 2 10.229 -0.155 0.225 1.00 10.00 H new ATOM 0 H2' DT B 2 8.136 -0.567 1.124 1.00 10.00 H new ATOM 0 H2'' DT B 2 8.203 -2.242 0.614 1.00 10.00 H new ATOM 0 H1' DT B 2 8.806 -2.930 2.737 1.00 10.00 H new ATOM 0 H3 DT B 2 5.947 -1.204 5.795 1.00 10.00 H new ATOM 0 H71 DT B 2 7.337 3.168 4.691 1.00 10.00 H new ATOM 0 H72 DT B 2 8.998 2.770 5.189 1.00 10.00 H new ATOM 0 H73 DT B 2 8.592 2.891 3.461 1.00 10.00 H new ATOM 0 H6 DT B 2 9.321 0.704 2.945 1.00 10.00 H new ATOM 254 P DG B 3 9.379 -1.562 -2.064 1.00 10.00 P ATOM 255 OP1 DG B 3 10.183 -1.908 -3.257 1.00 10.00 O ATOM 256 OP2 DG B 3 8.833 -0.193 -1.924 1.00 10.00 O ATOM 257 O5' DG B 3 8.139 -2.596 -1.984 1.00 10.00 O ATOM 258 C5' DG B 3 8.319 -3.998 -2.096 1.00 10.00 C ATOM 259 C4' DG B 3 6.959 -4.701 -2.221 1.00 10.00 C ATOM 260 O4' DG B 3 6.002 -4.162 -1.314 1.00 10.00 O ATOM 261 C3' DG B 3 6.388 -4.568 -3.634 1.00 10.00 C ATOM 262 O3' DG B 3 5.800 -5.813 -3.976 1.00 10.00 O ATOM 263 C2' DG B 3 5.379 -3.439 -3.472 1.00 10.00 C ATOM 264 C1' DG B 3 4.893 -3.641 -2.037 1.00 10.00 C ATOM 265 N9 DG B 3 4.420 -2.388 -1.400 1.00 10.00 N ATOM 266 C8 DG B 3 5.023 -1.154 -1.384 1.00 10.00 C ATOM 267 N7 DG B 3 4.350 -0.235 -0.750 1.00 10.00 N ATOM 268 C5 DG B 3 3.226 -0.907 -0.284 1.00 10.00 C ATOM 269 C6 DG B 3 2.116 -0.420 0.471 1.00 10.00 C ATOM 270 O6 DG B 3 1.915 0.727 0.861 1.00 10.00 O ATOM 271 N1 DG B 3 1.196 -1.420 0.775 1.00 10.00 N ATOM 272 C2 DG B 3 1.323 -2.738 0.377 1.00 10.00 C ATOM 273 N2 DG B 3 0.351 -3.580 0.741 1.00 10.00 N ATOM 274 N3 DG B 3 2.350 -3.191 -0.363 1.00 10.00 N ATOM 275 C4 DG B 3 3.269 -2.231 -0.657 1.00 10.00 C ATOM 0 H5' DG B 3 8.852 -4.374 -1.223 1.00 10.00 H new ATOM 0 H5'' DG B 3 8.935 -4.224 -2.967 1.00 10.00 H new ATOM 0 H4' DG B 3 7.141 -5.750 -1.987 1.00 10.00 H new ATOM 0 H3' DG B 3 7.098 -4.343 -4.430 1.00 10.00 H new ATOM 0 H2' DG B 3 5.838 -2.460 -3.612 1.00 10.00 H new ATOM 0 H2'' DG B 3 4.564 -3.515 -4.192 1.00 10.00 H new ATOM 0 H1' DG B 3 4.035 -4.314 -2.036 1.00 10.00 H new ATOM 0 H8 DG B 3 5.975 -0.961 -1.857 1.00 10.00 H new ATOM 0 H1 DG B 3 0.377 -1.164 1.326 1.00 10.00 H new ATOM 0 H21 DG B 3 0.400 -4.562 0.471 1.00 10.00 H new ATOM 0 H22 DG B 3 -0.440 -3.240 1.289 1.00 10.00 H new ATOM 287 P DC B 4 5.158 -6.110 -5.427 1.00 10.00 P ATOM 288 OP1 DC B 4 5.454 -7.515 -5.787 1.00 10.00 O ATOM 289 OP2 DC B 4 5.536 -5.016 -6.349 1.00 10.00 O ATOM 290 O5' DC B 4 3.586 -5.985 -5.114 1.00 10.00 O ATOM 291 C5' DC B 4 2.879 -7.013 -4.441 1.00 10.00 C ATOM 292 C4' DC B 4 1.467 -6.523 -4.115 1.00 10.00 C ATOM 293 O4' DC B 4 1.567 -5.372 -3.303 1.00 10.00 O ATOM 294 C3' DC B 4 0.676 -6.128 -5.370 1.00 10.00 C ATOM 295 O3' DC B 4 -0.296 -7.115 -5.680 1.00 10.00 O ATOM 296 C2' DC B 4 0.048 -4.792 -4.994 1.00 10.00 C ATOM 297 C1' DC B 4 0.422 -4.581 -3.525 1.00 10.00 C ATOM 298 N1 DC B 4 0.764 -3.157 -3.295 1.00 10.00 N ATOM 299 C2 DC B 4 -0.055 -2.354 -2.500 1.00 10.00 C ATOM 300 O2 DC B 4 -1.081 -2.793 -1.985 1.00 10.00 O ATOM 301 N3 DC B 4 0.311 -1.053 -2.304 1.00 10.00 N ATOM 302 C4 DC B 4 1.415 -0.549 -2.879 1.00 10.00 C ATOM 303 N4 DC B 4 1.741 0.723 -2.632 1.00 10.00 N ATOM 304 C5 DC B 4 2.252 -1.358 -3.719 1.00 10.00 C ATOM 305 C6 DC B 4 1.884 -2.643 -3.892 1.00 10.00 C ATOM 0 H5' DC B 4 3.401 -7.290 -3.525 1.00 10.00 H new ATOM 0 H5'' DC B 4 2.832 -7.906 -5.064 1.00 10.00 H new ATOM 0 H4' DC B 4 0.946 -7.342 -3.619 1.00 10.00 H new ATOM 0 H3' DC B 4 1.292 -6.048 -6.266 1.00 10.00 H new ATOM 0 H2' DC B 4 0.431 -3.985 -5.619 1.00 10.00 H new ATOM 0 H2'' DC B 4 -1.034 -4.812 -5.127 1.00 10.00 H new ATOM 0 H1' DC B 4 -0.399 -4.850 -2.860 1.00 10.00 H new ATOM 0 H41 DC B 4 2.575 1.128 -3.058 1.00 10.00 H new ATOM 0 H42 DC B 4 1.156 1.289 -2.018 1.00 10.00 H new ATOM 0 H5 DC B 4 3.136 -0.955 -4.191 1.00 10.00 H new ATOM 0 H6 DC B 4 2.488 -3.284 -4.517 1.00 10.00 H new ATOM 317 P DA B 5 -1.056 -7.171 -7.112 1.00 10.00 P ATOM 318 OP1 DA B 5 -1.674 -8.510 -7.236 1.00 10.00 O ATOM 319 OP2 DA B 5 -0.113 -6.711 -8.155 1.00 10.00 O ATOM 320 O5' DA B 5 -2.248 -6.082 -7.016 1.00 10.00 O ATOM 321 C5' DA B 5 -3.401 -6.301 -6.220 1.00 10.00 C ATOM 322 C4' DA B 5 -4.465 -5.237 -6.513 1.00 10.00 C ATOM 323 O4' DA B 5 -3.958 -3.921 -6.347 1.00 10.00 O ATOM 324 C3' DA B 5 -5.015 -5.332 -7.945 1.00 10.00 C ATOM 325 O3' DA B 5 -6.333 -5.855 -7.913 1.00 10.00 O ATOM 326 C2' DA B 5 -4.934 -3.889 -8.454 1.00 10.00 C ATOM 327 C1' DA B 5 -4.707 -3.066 -7.190 1.00 10.00 C ATOM 328 N9 DA B 5 -3.978 -1.812 -7.466 1.00 10.00 N ATOM 329 C8 DA B 5 -2.758 -1.692 -8.065 1.00 10.00 C ATOM 330 N7 DA B 5 -2.273 -0.483 -8.079 1.00 10.00 N ATOM 331 C5 DA B 5 -3.254 0.262 -7.434 1.00 10.00 C ATOM 332 C6 DA B 5 -3.335 1.620 -7.065 1.00 10.00 C ATOM 333 N6 DA B 5 -2.353 2.493 -7.314 1.00 10.00 N ATOM 334 N1 DA B 5 -4.435 2.045 -6.415 1.00 10.00 N ATOM 335 C2 DA B 5 -5.403 1.170 -6.146 1.00 10.00 C ATOM 336 N3 DA B 5 -5.444 -0.131 -6.429 1.00 10.00 N ATOM 337 C4 DA B 5 -4.317 -0.534 -7.080 1.00 10.00 C ATOM 0 H5' DA B 5 -3.132 -6.274 -5.164 1.00 10.00 H new ATOM 0 H5'' DA B 5 -3.805 -7.293 -6.420 1.00 10.00 H new ATOM 0 H4' DA B 5 -5.262 -5.433 -5.796 1.00 10.00 H new ATOM 0 H3' DA B 5 -4.466 -6.004 -8.604 1.00 10.00 H new ATOM 0 H2' DA B 5 -4.118 -3.762 -9.165 1.00 10.00 H new ATOM 0 H2'' DA B 5 -5.851 -3.593 -8.964 1.00 10.00 H new ATOM 0 H1' DA B 5 -5.647 -2.749 -6.738 1.00 10.00 H new ATOM 0 H8 DA B 5 -2.235 -2.534 -8.494 1.00 10.00 H new ATOM 0 H61 DA B 5 -2.453 3.467 -7.030 1.00 10.00 H new ATOM 0 H62 DA B 5 -1.504 2.184 -7.788 1.00 10.00 H new ATOM 0 H2 DA B 5 -6.266 1.567 -5.632 1.00 10.00 H new ATOM 349 P DT B 6 -7.190 -6.143 -9.255 1.00 10.00 P ATOM 350 OP1 DT B 6 -8.243 -7.130 -8.930 1.00 10.00 O ATOM 351 OP2 DT B 6 -6.256 -6.403 -10.373 1.00 10.00 O ATOM 352 O5' DT B 6 -7.902 -4.722 -9.517 1.00 10.00 O ATOM 353 C5' DT B 6 -8.893 -4.233 -8.636 1.00 10.00 C ATOM 354 C4' DT B 6 -9.211 -2.764 -8.924 1.00 10.00 C ATOM 355 O4' DT B 6 -8.101 -1.938 -8.631 1.00 10.00 O ATOM 356 C3' DT B 6 -9.546 -2.456 -10.383 1.00 10.00 C ATOM 357 O3' DT B 6 -10.917 -2.652 -10.656 1.00 10.00 O ATOM 358 C2' DT B 6 -9.147 -0.986 -10.519 1.00 10.00 C ATOM 359 C1' DT B 6 -8.335 -0.688 -9.252 1.00 10.00 C ATOM 360 N1 DT B 6 -7.046 -0.014 -9.565 1.00 10.00 N ATOM 361 C2 DT B 6 -6.846 1.294 -9.124 1.00 10.00 C ATOM 362 O2 DT B 6 -7.678 1.925 -8.475 1.00 10.00 O ATOM 363 N3 DT B 6 -5.632 1.874 -9.458 1.00 10.00 N ATOM 364 C4 DT B 6 -4.612 1.279 -10.183 1.00 10.00 C ATOM 365 O4 DT B 6 -3.573 1.901 -10.398 1.00 10.00 O ATOM 366 C5 DT B 6 -4.899 -0.077 -10.615 1.00 10.00 C ATOM 367 C7 DT B 6 -3.872 -0.828 -11.439 1.00 10.00 C ATOM 368 C6 DT B 6 -6.082 -0.666 -10.298 1.00 10.00 C ATOM 0 H5' DT B 6 -8.553 -4.339 -7.606 1.00 10.00 H new ATOM 0 H5'' DT B 6 -9.799 -4.831 -8.735 1.00 10.00 H new ATOM 0 H4' DT B 6 -10.080 -2.568 -8.296 1.00 10.00 H new ATOM 0 H3' DT B 6 -9.031 -3.108 -11.089 1.00 10.00 H new ATOM 0 H2' DT B 6 -8.555 -0.817 -11.418 1.00 10.00 H new ATOM 0 H2'' DT B 6 -10.024 -0.342 -10.589 1.00 10.00 H new ATOM 0 HO3' DT B 6 -11.096 -2.444 -11.597 1.00 10.00 H new ATOM 0 H1' DT B 6 -8.883 -0.007 -8.601 1.00 10.00 H new ATOM 0 H3 DT B 6 -5.475 2.830 -9.140 1.00 10.00 H new ATOM 0 H71 DT B 6 -3.954 -1.896 -11.238 1.00 10.00 H new ATOM 0 H72 DT B 6 -4.050 -0.644 -12.498 1.00 10.00 H new ATOM 0 H73 DT B 6 -2.872 -0.485 -11.174 1.00 10.00 H new ATOM 0 H6 DT B 6 -6.271 -1.676 -10.631 1.00 10.00 H new TER 382 DT B 6 HETATM 383 O11 NF A 7 0.208 2.240 -4.741 1.00 10.00 O HETATM 384 C11 NF A 7 -0.861 2.249 -4.193 1.00 10.00 C HETATM 385 N21 NF A 7 -1.326 3.396 -3.539 1.00 10.00 N HETATM 386 C12 NF A 7 -0.445 4.596 -3.518 1.00 10.00 C HETATM 387 C31 NF A 7 -2.568 3.475 -2.900 1.00 10.00 C HETATM 388 O31 NF A 7 -2.912 4.490 -2.358 1.00 10.00 O HETATM 389 CX3 NF A 7 -3.436 2.254 -2.892 1.00 10.00 C HETATM 390 CXD NF A 7 -2.991 1.065 -3.522 1.00 10.00 C HETATM 391 CXT NF A 7 -1.734 1.033 -4.179 1.00 10.00 C HETATM 392 C91 NF A 7 -1.311 -0.116 -4.810 1.00 10.00 C HETATM 393 C81 NF A 7 -2.101 -1.274 -4.788 1.00 10.00 C HETATM 394 C71 NF A 7 -3.334 -1.284 -4.123 1.00 10.00 C HETATM 395 CXN NF A 7 -3.807 -0.100 -3.492 1.00 10.00 C HETATM 396 C61 NF A 7 -5.069 -0.040 -2.834 1.00 10.00 C HETATM 397 C51 NF A 7 -5.487 1.153 -2.229 1.00 10.00 C HETATM 398 C41 NF A 7 -4.662 2.287 -2.264 1.00 10.00 C HETATM 399 C22 NF A 7 0.394 4.744 -2.242 1.00 10.00 C HETATM 400 N32 NF A 7 -0.443 5.154 -1.096 1.00 10.00 N HETATM 401 C42 NF A 7 0.269 5.648 0.102 1.00 10.00 C HETATM 402 C52 NF A 7 0.819 4.523 0.990 1.00 10.00 C HETATM 403 C62 NF A 7 2.311 4.221 0.814 1.00 10.00 C HETATM 404 N72 NF A 7 2.755 3.256 1.841 1.00 10.00 N HETATM 405 C82 NF A 7 4.202 2.985 1.886 1.00 10.00 C HETATM 406 O13 NF A 7 2.248 1.805 4.515 1.00 10.00 O HETATM 407 C13 NF A 7 2.761 0.823 4.050 1.00 10.00 C HETATM 408 N23 NF A 7 3.960 0.915 3.335 1.00 10.00 N HETATM 409 C92 NF A 7 4.588 2.257 3.179 1.00 10.00 C HETATM 410 C33 NF A 7 4.606 -0.182 2.755 1.00 10.00 C HETATM 411 O33 NF A 7 5.632 -0.038 2.149 1.00 10.00 O HETATM 412 CX5 NF A 7 3.969 -1.531 2.903 1.00 10.00 C HETATM 413 CXF NF A 7 2.743 -1.665 3.605 1.00 10.00 C HETATM 414 CXV NF A 7 2.127 -0.528 4.191 1.00 10.00 C HETATM 415 C93 NF A 7 0.947 -0.663 4.889 1.00 10.00 C HETATM 416 C83 NF A 7 0.317 -1.914 4.999 1.00 10.00 C HETATM 417 C73 NF A 7 0.890 -3.050 4.412 1.00 10.00 C HETATM 418 CXP NF A 7 2.128 -2.944 3.717 1.00 10.00 C HETATM 419 C63 NF A 7 2.773 -4.071 3.131 1.00 10.00 C HETATM 420 C53 NF A 7 3.991 -3.909 2.455 1.00 10.00 C HETATM 421 C43 NF A 7 4.574 -2.637 2.347 1.00 10.00 C HETATM 0 H922 NF A 7 5.672 2.144 3.210 1.00 10.00 H new HETATM 0 H912 NF A 7 4.308 2.878 4.030 1.00 10.00 H new HETATM 0 H822 NF A 7 4.489 2.381 1.025 1.00 10.00 H new HETATM 0 H812 NF A 7 4.753 3.923 1.815 1.00 10.00 H new HETATM 0 H722 NF A 7 2.464 3.602 2.755 1.00 10.00 H new HETATM 0 H712 NF A 7 2.267 2.374 1.686 1.00 10.00 H new HETATM 0 H622 NF A 7 2.494 3.816 -0.181 1.00 10.00 H new HETATM 0 H612 NF A 7 2.889 5.142 0.894 1.00 10.00 H new HETATM 0 H522 NF A 7 0.638 4.784 2.033 1.00 10.00 H new HETATM 0 H512 NF A 7 0.254 3.613 0.787 1.00 10.00 H new HETATM 0 H422 NF A 7 1.093 6.289 -0.212 1.00 10.00 H new HETATM 0 H412 NF A 7 -0.409 6.266 0.690 1.00 10.00 H new HETATM 0 H322 NF A 7 -1.080 5.885 -1.412 1.00 10.00 H new HETATM 0 H312 NF A 7 -1.017 4.357 -0.820 1.00 10.00 H new HETATM 0 H222 NF A 7 0.886 3.798 -2.016 1.00 10.00 H new HETATM 0 H212 NF A 7 1.180 5.482 -2.404 1.00 10.00 H new HETATM 0 H122 NF A 7 0.226 4.554 -4.376 1.00 10.00 H new HETATM 0 H112 NF A 7 -1.062 5.487 -3.638 1.00 10.00 H new HETATM 0 H93 NF A 7 0.497 0.210 5.361 1.00 10.00 H new HETATM 0 H91 NF A 7 -0.354 -0.125 -5.331 1.00 10.00 H new HETATM 0 H83 NF A 7 -0.623 -2.001 5.544 1.00 10.00 H new HETATM 0 H81 NF A 7 -1.753 -2.175 -5.293 1.00 10.00 H new HETATM 0 H73 NF A 7 0.388 -4.015 4.487 1.00 10.00 H new HETATM 0 H71 NF A 7 -3.929 -2.196 -4.089 1.00 10.00 H new HETATM 0 H63 NF A 7 2.320 -5.059 3.208 1.00 10.00 H new HETATM 0 H61 NF A 7 -5.709 -0.922 -2.801 1.00 10.00 H new HETATM 0 H53 NF A 7 4.486 -4.773 2.012 1.00 10.00 H new HETATM 0 H51 NF A 7 -6.455 1.200 -1.730 1.00 10.00 H new HETATM 0 H43 NF A 7 5.519 -2.522 1.816 1.00 10.00 H new HETATM 0 H41 NF A 7 -4.996 3.208 -1.787 1.00 10.00 H new