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 22:sc= 0.00306 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.0233 (180deg=-0.0422) 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= 0.0045 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 -8.806 11.453 -6.448 1.00 10.00 O ATOM 2 C5' DA A 1 -10.167 11.127 -6.257 1.00 10.00 C ATOM 3 C4' DA A 1 -10.357 9.622 -6.039 1.00 10.00 C ATOM 4 O4' DA A 1 -9.817 8.878 -7.118 1.00 10.00 O ATOM 5 C3' DA A 1 -9.656 9.086 -4.792 1.00 10.00 C ATOM 6 O3' DA A 1 -10.424 9.309 -3.622 1.00 10.00 O ATOM 7 C2' DA A 1 -9.517 7.609 -5.144 1.00 10.00 C ATOM 8 C1' DA A 1 -9.561 7.555 -6.670 1.00 10.00 C ATOM 9 N9 DA A 1 -8.287 7.043 -7.205 1.00 10.00 N ATOM 10 C8 DA A 1 -7.137 7.744 -7.393 1.00 10.00 C ATOM 11 N7 DA A 1 -6.155 7.056 -7.906 1.00 10.00 N ATOM 12 C5 DA A 1 -6.699 5.783 -8.048 1.00 10.00 C ATOM 13 C6 DA A 1 -6.178 4.560 -8.525 1.00 10.00 C ATOM 14 N6 DA A 1 -4.932 4.432 -8.998 1.00 10.00 N ATOM 15 N1 DA A 1 -6.968 3.470 -8.480 1.00 10.00 N ATOM 16 C2 DA A 1 -8.205 3.583 -7.999 1.00 10.00 C ATOM 17 N3 DA A 1 -8.813 4.671 -7.534 1.00 10.00 N ATOM 18 C4 DA A 1 -7.993 5.756 -7.588 1.00 10.00 C ATOM 0 H5' DA A 1 -10.744 11.446 -7.125 1.00 10.00 H new ATOM 0 H5'' DA A 1 -10.556 11.673 -5.397 1.00 10.00 H new ATOM 0 H4' DA A 1 -11.436 9.503 -5.941 1.00 10.00 H new ATOM 0 H3' DA A 1 -8.706 9.567 -4.561 1.00 10.00 H new ATOM 0 H2' DA A 1 -8.582 7.200 -4.762 1.00 10.00 H new ATOM 0 H2'' DA A 1 -10.324 7.022 -4.706 1.00 10.00 H new ATOM 0 HO5' DA A 1 -8.318 10.657 -6.745 1.00 10.00 H new ATOM 0 H1' DA A 1 -10.340 6.878 -7.020 1.00 10.00 H new ATOM 0 H8 DA A 1 -7.044 8.789 -7.137 1.00 10.00 H new ATOM 0 H61 DA A 1 -4.604 3.526 -9.331 1.00 10.00 H new ATOM 0 H62 DA A 1 -4.311 5.241 -9.025 1.00 10.00 H new ATOM 0 H2 DA A 1 -8.789 2.675 -7.985 1.00 10.00 H new ATOM 31 P DT A 2 -9.824 9.055 -2.140 1.00 10.00 P ATOM 32 OP1 DT A 2 -10.814 9.545 -1.156 1.00 10.00 O ATOM 33 OP2 DT A 2 -8.440 9.579 -2.108 1.00 10.00 O ATOM 34 O5' DT A 2 -9.747 7.449 -2.020 1.00 10.00 O ATOM 35 C5' DT A 2 -10.903 6.658 -1.812 1.00 10.00 C ATOM 36 C4' DT A 2 -10.541 5.178 -1.977 1.00 10.00 C ATOM 37 O4' DT A 2 -9.835 4.970 -3.183 1.00 10.00 O ATOM 38 C3' DT A 2 -9.661 4.613 -0.865 1.00 10.00 C ATOM 39 O3' DT A 2 -10.497 4.059 0.150 1.00 10.00 O ATOM 40 C2' DT A 2 -8.624 3.730 -1.548 1.00 10.00 C ATOM 41 C1' DT A 2 -8.954 3.869 -3.031 1.00 10.00 C ATOM 42 N1 DT A 2 -7.718 4.153 -3.790 1.00 10.00 N ATOM 43 C2 DT A 2 -7.210 3.206 -4.675 1.00 10.00 C ATOM 44 O2 DT A 2 -7.713 2.098 -4.843 1.00 10.00 O ATOM 45 N3 DT A 2 -6.072 3.582 -5.374 1.00 10.00 N ATOM 46 C4 DT A 2 -5.410 4.797 -5.263 1.00 10.00 C ATOM 47 O4 DT A 2 -4.395 4.999 -5.925 1.00 10.00 O ATOM 48 C5 DT A 2 -6.006 5.724 -4.313 1.00 10.00 C ATOM 49 C7 DT A 2 -5.421 7.110 -4.116 1.00 10.00 C ATOM 50 C6 DT A 2 -7.107 5.365 -3.607 1.00 10.00 C ATOM 0 H5' DT A 2 -11.680 6.936 -2.524 1.00 10.00 H new ATOM 0 H5'' DT A 2 -11.305 6.837 -0.815 1.00 10.00 H new ATOM 0 H4' DT A 2 -11.502 4.665 -1.957 1.00 10.00 H new ATOM 0 H3' DT A 2 -9.076 5.339 -0.300 1.00 10.00 H new ATOM 0 H2' DT A 2 -7.609 4.062 -1.330 1.00 10.00 H new ATOM 0 H2'' DT A 2 -8.698 2.694 -1.216 1.00 10.00 H new ATOM 0 H1' DT A 2 -9.407 2.948 -3.400 1.00 10.00 H new ATOM 0 H3 DT A 2 -5.686 2.903 -6.030 1.00 10.00 H new ATOM 0 H71 DT A 2 -4.348 7.082 -4.306 1.00 10.00 H new ATOM 0 H72 DT A 2 -5.894 7.806 -4.808 1.00 10.00 H new ATOM 0 H73 DT A 2 -5.600 7.438 -3.092 1.00 10.00 H new ATOM 0 H6 DT A 2 -7.513 6.054 -2.881 1.00 10.00 H new ATOM 63 P DG A 3 -10.907 2.489 0.214 1.00 10.00 P ATOM 64 OP1 DG A 3 -11.203 2.037 -1.164 1.00 10.00 O ATOM 65 OP2 DG A 3 -11.962 2.374 1.245 1.00 10.00 O ATOM 66 O5' DG A 3 -9.629 1.651 0.740 1.00 10.00 O ATOM 67 C5' DG A 3 -9.825 0.365 1.298 1.00 10.00 C ATOM 68 C4' DG A 3 -8.525 -0.339 1.703 1.00 10.00 C ATOM 69 O4' DG A 3 -7.415 -0.051 0.864 1.00 10.00 O ATOM 70 C3' DG A 3 -8.107 -0.061 3.152 1.00 10.00 C ATOM 71 O3' DG A 3 -8.370 -1.257 3.872 1.00 10.00 O ATOM 72 C2' DG A 3 -6.630 0.326 3.019 1.00 10.00 C ATOM 73 C1' DG A 3 -6.235 -0.196 1.639 1.00 10.00 C ATOM 74 N9 DG A 3 -5.126 0.568 1.027 1.00 10.00 N ATOM 75 C8 DG A 3 -4.985 1.926 0.915 1.00 10.00 C ATOM 76 N7 DG A 3 -3.862 2.306 0.369 1.00 10.00 N ATOM 77 C5 DG A 3 -3.230 1.110 0.049 1.00 10.00 C ATOM 78 C6 DG A 3 -1.982 0.878 -0.605 1.00 10.00 C ATOM 79 O6 DG A 3 -1.169 1.713 -0.992 1.00 10.00 O ATOM 80 N1 DG A 3 -1.728 -0.475 -0.810 1.00 10.00 N ATOM 81 C2 DG A 3 -2.577 -1.494 -0.420 1.00 10.00 C ATOM 82 N2 DG A 3 -2.195 -2.746 -0.689 1.00 10.00 N ATOM 83 N3 DG A 3 -3.739 -1.279 0.218 1.00 10.00 N ATOM 84 C4 DG A 3 -4.012 0.040 0.415 1.00 10.00 C ATOM 0 H5' DG A 3 -10.354 -0.257 0.576 1.00 10.00 H new ATOM 0 H5'' DG A 3 -10.467 0.453 2.174 1.00 10.00 H new ATOM 0 H4' DG A 3 -8.782 -1.392 1.590 1.00 10.00 H new ATOM 0 H3' DG A 3 -8.627 0.731 3.691 1.00 10.00 H new ATOM 0 H2' DG A 3 -6.492 1.405 3.092 1.00 10.00 H new ATOM 0 H2'' DG A 3 -6.026 -0.127 3.805 1.00 10.00 H new ATOM 0 H1' DG A 3 -5.871 -1.222 1.699 1.00 10.00 H new ATOM 0 H8 DG A 3 -5.739 2.623 1.250 1.00 10.00 H new ATOM 0 H1 DG A 3 -0.859 -0.731 -1.278 1.00 10.00 H new ATOM 0 H21 DG A 3 -2.790 -3.530 -0.420 1.00 10.00 H new ATOM 0 H22 DG A 3 -1.309 -2.918 -1.164 1.00 10.00 H new ATOM 96 P DC A 4 -7.830 -1.555 5.359 1.00 10.00 P ATOM 97 OP1 DC A 4 -8.785 -2.465 6.030 1.00 10.00 O ATOM 98 OP2 DC A 4 -7.448 -0.277 6.000 1.00 10.00 O ATOM 99 O5' DC A 4 -6.491 -2.384 5.015 1.00 10.00 O ATOM 100 C5' DC A 4 -6.552 -3.666 4.412 1.00 10.00 C ATOM 101 C4' DC A 4 -5.137 -4.177 4.121 1.00 10.00 C ATOM 102 O4' DC A 4 -4.486 -3.299 3.226 1.00 10.00 O ATOM 103 C3' DC A 4 -4.288 -4.258 5.394 1.00 10.00 C ATOM 104 O3' DC A 4 -4.119 -5.615 5.775 1.00 10.00 O ATOM 105 C2' DC A 4 -2.982 -3.580 5.005 1.00 10.00 C ATOM 106 C1' DC A 4 -3.101 -3.320 3.503 1.00 10.00 C ATOM 107 N1 DC A 4 -2.527 -1.987 3.199 1.00 10.00 N ATOM 108 C2 DC A 4 -1.313 -1.870 2.518 1.00 10.00 C ATOM 109 O2 DC A 4 -0.697 -2.859 2.128 1.00 10.00 O ATOM 110 N3 DC A 4 -0.816 -0.616 2.296 1.00 10.00 N ATOM 111 C4 DC A 4 -1.471 0.477 2.720 1.00 10.00 C ATOM 112 N4 DC A 4 -0.931 1.679 2.493 1.00 10.00 N ATOM 113 C5 DC A 4 -2.723 0.369 3.417 1.00 10.00 C ATOM 114 C6 DC A 4 -3.194 -0.875 3.638 1.00 10.00 C ATOM 0 H5' DC A 4 -7.126 -3.615 3.487 1.00 10.00 H new ATOM 0 H5'' DC A 4 -7.071 -4.362 5.071 1.00 10.00 H new ATOM 0 H4' DC A 4 -5.238 -5.174 3.693 1.00 10.00 H new ATOM 0 H3' DC A 4 -4.736 -3.773 6.261 1.00 10.00 H new ATOM 0 H2' DC A 4 -2.841 -2.650 5.556 1.00 10.00 H new ATOM 0 H2'' DC A 4 -2.126 -4.216 5.228 1.00 10.00 H new ATOM 0 H1' DC A 4 -2.579 -4.074 2.914 1.00 10.00 H new ATOM 0 H41 DC A 4 -1.412 2.522 2.807 1.00 10.00 H new ATOM 0 H42 DC A 4 -0.038 1.753 2.006 1.00 10.00 H new ATOM 0 H5 DC A 4 -3.262 1.244 3.749 1.00 10.00 H new ATOM 0 H6 DC A 4 -4.123 -0.997 4.176 1.00 10.00 H new ATOM 126 P DA A 5 -3.537 -6.051 7.222 1.00 10.00 P ATOM 127 OP1 DA A 5 -3.907 -7.466 7.446 1.00 10.00 O ATOM 128 OP2 DA A 5 -3.939 -5.029 8.214 1.00 10.00 O ATOM 129 O5' DA A 5 -1.931 -5.977 7.065 1.00 10.00 O ATOM 130 C5' DA A 5 -1.217 -6.878 6.236 1.00 10.00 C ATOM 131 C4' DA A 5 0.286 -6.746 6.502 1.00 10.00 C ATOM 132 O4' DA A 5 0.727 -5.404 6.367 1.00 10.00 O ATOM 133 C3' DA A 5 0.656 -7.204 7.921 1.00 10.00 C ATOM 134 O3' DA A 5 1.329 -8.450 7.861 1.00 10.00 O ATOM 135 C2' DA A 5 1.517 -6.055 8.452 1.00 10.00 C ATOM 136 C1' DA A 5 1.853 -5.240 7.207 1.00 10.00 C ATOM 137 N9 DA A 5 2.072 -3.816 7.527 1.00 10.00 N ATOM 138 C8 DA A 5 1.188 -2.973 8.133 1.00 10.00 C ATOM 139 N7 DA A 5 1.581 -1.732 8.207 1.00 10.00 N ATOM 140 C5 DA A 5 2.833 -1.757 7.602 1.00 10.00 C ATOM 141 C6 DA A 5 3.782 -0.752 7.322 1.00 10.00 C ATOM 142 N6 DA A 5 3.586 0.535 7.631 1.00 10.00 N ATOM 143 N1 DA A 5 4.928 -1.105 6.709 1.00 10.00 N ATOM 144 C2 DA A 5 5.123 -2.383 6.391 1.00 10.00 C ATOM 145 N3 DA A 5 4.310 -3.419 6.592 1.00 10.00 N ATOM 146 C4 DA A 5 3.159 -3.033 7.209 1.00 10.00 C ATOM 0 H5' DA A 5 -1.430 -6.669 5.188 1.00 10.00 H new ATOM 0 H5'' DA A 5 -1.542 -7.900 6.430 1.00 10.00 H new ATOM 0 H4' DA A 5 0.772 -7.381 5.761 1.00 10.00 H new ATOM 0 H3' DA A 5 -0.193 -7.385 8.581 1.00 10.00 H new ATOM 0 H2' DA A 5 0.977 -5.458 9.186 1.00 10.00 H new ATOM 0 H2'' DA A 5 2.418 -6.425 8.942 1.00 10.00 H new ATOM 0 H1' DA A 5 2.778 -5.575 6.739 1.00 10.00 H new ATOM 0 H8 DA A 5 0.237 -3.307 8.521 1.00 10.00 H new ATOM 0 H61 DA A 5 4.301 1.227 7.409 1.00 10.00 H new ATOM 0 H62 DA A 5 2.721 0.824 8.089 1.00 10.00 H new ATOM 0 H2 DA A 5 6.062 -2.609 5.907 1.00 10.00 H new ATOM 158 P DT A 6 1.763 -9.268 9.188 1.00 10.00 P ATOM 159 OP1 DT A 6 1.940 -10.690 8.819 1.00 10.00 O ATOM 160 OP2 DT A 6 0.851 -8.904 10.295 1.00 10.00 O ATOM 161 O5' DT A 6 3.214 -8.650 9.509 1.00 10.00 O ATOM 162 C5' DT A 6 4.314 -8.906 8.662 1.00 10.00 C ATOM 163 C4' DT A 6 5.496 -8.001 9.013 1.00 10.00 C ATOM 164 O4' DT A 6 5.187 -6.649 8.743 1.00 10.00 O ATOM 165 C3' DT A 6 5.898 -8.020 10.488 1.00 10.00 C ATOM 166 O3' DT A 6 6.812 -9.059 10.766 1.00 10.00 O ATOM 167 C2' DT A 6 6.533 -6.643 10.683 1.00 10.00 C ATOM 168 C1' DT A 6 6.141 -5.857 9.424 1.00 10.00 C ATOM 169 N1 DT A 6 5.564 -4.527 9.752 1.00 10.00 N ATOM 170 C2 DT A 6 6.247 -3.381 9.348 1.00 10.00 C ATOM 171 O2 DT A 6 7.303 -3.408 8.720 1.00 10.00 O ATOM 172 N3 DT A 6 5.668 -2.170 9.693 1.00 10.00 N ATOM 173 C4 DT A 6 4.487 -1.996 10.397 1.00 10.00 C ATOM 174 O4 DT A 6 4.078 -0.861 10.632 1.00 10.00 O ATOM 175 C5 DT A 6 3.838 -3.235 10.786 1.00 10.00 C ATOM 176 C7 DT A 6 2.549 -3.178 11.583 1.00 10.00 C ATOM 177 C6 DT A 6 4.386 -4.434 10.458 1.00 10.00 C ATOM 0 H5' DT A 6 4.024 -8.745 7.624 1.00 10.00 H new ATOM 0 H5'' DT A 6 4.612 -9.951 8.752 1.00 10.00 H new ATOM 0 H4' DT A 6 6.310 -8.395 8.405 1.00 10.00 H new ATOM 0 H3' DT A 6 5.059 -8.206 11.159 1.00 10.00 H new ATOM 0 H2' DT A 6 6.160 -6.158 11.585 1.00 10.00 H new ATOM 0 H2'' DT A 6 7.616 -6.716 10.784 1.00 10.00 H new ATOM 0 HO3' DT A 6 7.049 -9.041 11.717 1.00 10.00 H new ATOM 0 H1' DT A 6 7.023 -5.664 8.813 1.00 10.00 H new ATOM 0 H3 DT A 6 6.159 -1.325 9.400 1.00 10.00 H new ATOM 0 H71 DT A 6 1.937 -4.049 11.349 1.00 10.00 H new ATOM 0 H72 DT A 6 2.780 -3.173 12.648 1.00 10.00 H new ATOM 0 H73 DT A 6 2.002 -2.271 11.326 1.00 10.00 H new ATOM 0 H6 DT A 6 3.883 -5.341 10.760 1.00 10.00 H new TER 191 DT A 6 ATOM 192 O5' DA B 1 12.081 6.938 8.601 1.00 10.00 O ATOM 193 C5' DA B 1 13.227 6.213 8.206 1.00 10.00 C ATOM 194 C4' DA B 1 12.837 4.882 7.555 1.00 10.00 C ATOM 195 O4' DA B 1 12.052 4.095 8.433 1.00 10.00 O ATOM 196 C3' DA B 1 11.985 5.050 6.298 1.00 10.00 C ATOM 197 O3' DA B 1 12.790 5.311 5.161 1.00 10.00 O ATOM 198 C2' DA B 1 11.277 3.701 6.229 1.00 10.00 C ATOM 199 C1' DA B 1 11.305 3.167 7.661 1.00 10.00 C ATOM 200 N9 DA B 1 9.940 3.012 8.192 1.00 10.00 N ATOM 201 C8 DA B 1 9.142 3.987 8.705 1.00 10.00 C ATOM 202 N7 DA B 1 7.993 3.570 9.159 1.00 10.00 N ATOM 203 C5 DA B 1 8.028 2.202 8.906 1.00 10.00 C ATOM 204 C6 DA B 1 7.110 1.154 9.140 1.00 10.00 C ATOM 205 N6 DA B 1 5.926 1.338 9.737 1.00 10.00 N ATOM 206 N1 DA B 1 7.439 -0.083 8.723 1.00 10.00 N ATOM 207 C2 DA B 1 8.609 -0.279 8.120 1.00 10.00 C ATOM 208 N3 DA B 1 9.559 0.614 7.855 1.00 10.00 N ATOM 209 C4 DA B 1 9.202 1.856 8.282 1.00 10.00 C ATOM 0 H5' DA B 1 13.860 6.026 9.073 1.00 10.00 H new ATOM 0 H5'' DA B 1 13.814 6.807 7.505 1.00 10.00 H new ATOM 0 H4' DA B 1 13.789 4.412 7.308 1.00 10.00 H new ATOM 0 H3' DA B 1 11.296 5.894 6.324 1.00 10.00 H new ATOM 0 H2' DA B 1 10.254 3.810 5.868 1.00 10.00 H new ATOM 0 H2'' DA B 1 11.786 3.022 5.545 1.00 10.00 H new ATOM 0 HO5' DA B 1 11.334 6.319 8.738 1.00 10.00 H new ATOM 0 H1' DA B 1 11.766 2.180 7.697 1.00 10.00 H new ATOM 0 H8 DA B 1 9.437 5.025 8.734 1.00 10.00 H new ATOM 0 H61 DA B 1 5.299 0.546 9.882 1.00 10.00 H new ATOM 0 H62 DA B 1 5.650 2.270 10.047 1.00 10.00 H new ATOM 0 H2 DA B 1 8.813 -1.292 7.806 1.00 10.00 H new ATOM 222 P DT B 2 12.150 5.778 3.751 1.00 10.00 P ATOM 223 OP1 DT B 2 13.262 6.088 2.826 1.00 10.00 O ATOM 224 OP2 DT B 2 11.124 6.807 4.032 1.00 10.00 O ATOM 225 O5' DT B 2 11.396 4.459 3.213 1.00 10.00 O ATOM 226 C5' DT B 2 12.096 3.393 2.596 1.00 10.00 C ATOM 227 C4' DT B 2 11.130 2.229 2.347 1.00 10.00 C ATOM 228 O4' DT B 2 10.500 1.863 3.558 1.00 10.00 O ATOM 229 C3' DT B 2 10.014 2.587 1.361 1.00 10.00 C ATOM 230 O3' DT B 2 10.390 2.188 0.051 1.00 10.00 O ATOM 231 C2' DT B 2 8.806 1.826 1.901 1.00 10.00 C ATOM 232 C1' DT B 2 9.244 1.283 3.265 1.00 10.00 C ATOM 233 N1 DT B 2 8.270 1.674 4.311 1.00 10.00 N ATOM 234 C2 DT B 2 7.543 0.696 4.987 1.00 10.00 C ATOM 235 O2 DT B 2 7.700 -0.509 4.808 1.00 10.00 O ATOM 236 N3 DT B 2 6.601 1.160 5.895 1.00 10.00 N ATOM 237 C4 DT B 2 6.337 2.491 6.188 1.00 10.00 C ATOM 238 O4 DT B 2 5.435 2.777 6.972 1.00 10.00 O ATOM 239 C5 DT B 2 7.186 3.440 5.488 1.00 10.00 C ATOM 240 C7 DT B 2 7.076 4.926 5.770 1.00 10.00 C ATOM 241 C6 DT B 2 8.092 3.005 4.579 1.00 10.00 C ATOM 0 H5' DT B 2 12.920 3.068 3.232 1.00 10.00 H new ATOM 0 H5'' DT B 2 12.532 3.726 1.654 1.00 10.00 H new ATOM 0 H4' DT B 2 11.730 1.419 1.933 1.00 10.00 H new ATOM 0 H3' DT B 2 9.801 3.653 1.282 1.00 10.00 H new ATOM 0 H2' DT B 2 7.940 2.481 1.998 1.00 10.00 H new ATOM 0 H2'' DT B 2 8.519 1.017 1.230 1.00 10.00 H new ATOM 0 H1' DT B 2 9.302 0.195 3.241 1.00 10.00 H new ATOM 0 H3 DT B 2 6.052 0.459 6.393 1.00 10.00 H new ATOM 0 H71 DT B 2 8.045 5.399 5.612 1.00 10.00 H new ATOM 0 H72 DT B 2 6.342 5.370 5.098 1.00 10.00 H new ATOM 0 H73 DT B 2 6.762 5.078 6.803 1.00 10.00 H new ATOM 0 H6 DT B 2 8.692 3.730 4.050 1.00 10.00 H new ATOM 254 P DG B 3 9.428 2.380 -1.237 1.00 10.00 P ATOM 255 OP1 DG B 3 10.291 2.580 -2.423 1.00 10.00 O ATOM 256 OP2 DG B 3 8.396 3.388 -0.907 1.00 10.00 O ATOM 257 O5' DG B 3 8.689 0.951 -1.397 1.00 10.00 O ATOM 258 C5' DG B 3 9.407 -0.244 -1.652 1.00 10.00 C ATOM 259 C4' DG B 3 8.447 -1.390 -2.003 1.00 10.00 C ATOM 260 O4' DG B 3 7.322 -1.412 -1.131 1.00 10.00 O ATOM 261 C3' DG B 3 7.923 -1.272 -3.436 1.00 10.00 C ATOM 262 O3' DG B 3 7.854 -2.579 -3.984 1.00 10.00 O ATOM 263 C2' DG B 3 6.556 -0.632 -3.225 1.00 10.00 C ATOM 264 C1' DG B 3 6.128 -1.217 -1.878 1.00 10.00 C ATOM 265 N9 DG B 3 5.206 -0.333 -1.123 1.00 10.00 N ATOM 266 C8 DG B 3 5.307 1.019 -0.903 1.00 10.00 C ATOM 267 N7 DG B 3 4.337 1.524 -0.193 1.00 10.00 N ATOM 268 C5 DG B 3 3.538 0.427 0.099 1.00 10.00 C ATOM 269 C6 DG B 3 2.324 0.358 0.846 1.00 10.00 C ATOM 270 O6 DG B 3 1.736 1.278 1.406 1.00 10.00 O ATOM 271 N1 DG B 3 1.810 -0.931 0.921 1.00 10.00 N ATOM 272 C2 DG B 3 2.415 -2.040 0.359 1.00 10.00 C ATOM 273 N2 DG B 3 1.800 -3.215 0.534 1.00 10.00 N ATOM 274 N3 DG B 3 3.555 -1.979 -0.352 1.00 10.00 N ATOM 275 C4 DG B 3 4.067 -0.719 -0.448 1.00 10.00 C ATOM 0 H5' DG B 3 9.998 -0.513 -0.776 1.00 10.00 H new ATOM 0 H5'' DG B 3 10.107 -0.085 -2.472 1.00 10.00 H new ATOM 0 H4' DG B 3 9.024 -2.308 -1.895 1.00 10.00 H new ATOM 0 H3' DG B 3 8.530 -0.690 -4.129 1.00 10.00 H new ATOM 0 H2' DG B 3 6.616 0.456 -3.195 1.00 10.00 H new ATOM 0 H2'' DG B 3 5.858 -0.891 -4.021 1.00 10.00 H new ATOM 0 H1' DG B 3 5.579 -2.143 -2.047 1.00 10.00 H new ATOM 0 H8 DG B 3 6.122 1.614 -1.286 1.00 10.00 H new ATOM 0 H1 DG B 3 0.932 -1.067 1.422 1.00 10.00 H new ATOM 0 H21 DG B 3 2.203 -4.065 0.140 1.00 10.00 H new ATOM 0 H22 DG B 3 0.928 -3.261 1.061 1.00 10.00 H new ATOM 287 P DC B 4 7.440 -2.862 -5.520 1.00 10.00 P ATOM 288 OP1 DC B 4 8.265 -3.982 -6.024 1.00 10.00 O ATOM 289 OP2 DC B 4 7.416 -1.576 -6.252 1.00 10.00 O ATOM 290 O5' DC B 4 5.924 -3.378 -5.361 1.00 10.00 O ATOM 291 C5' DC B 4 5.631 -4.696 -4.930 1.00 10.00 C ATOM 292 C4' DC B 4 4.130 -4.817 -4.657 1.00 10.00 C ATOM 293 O4' DC B 4 3.775 -3.869 -3.673 1.00 10.00 O ATOM 294 C3' DC B 4 3.272 -4.526 -5.896 1.00 10.00 C ATOM 295 O3' DC B 4 2.771 -5.733 -6.450 1.00 10.00 O ATOM 296 C2' DC B 4 2.161 -3.629 -5.361 1.00 10.00 C ATOM 297 C1' DC B 4 2.416 -3.543 -3.856 1.00 10.00 C ATOM 298 N1 DC B 4 2.180 -2.155 -3.391 1.00 10.00 N ATOM 299 C2 DC B 4 1.081 -1.862 -2.584 1.00 10.00 C ATOM 300 O2 DC B 4 0.300 -2.739 -2.223 1.00 10.00 O ATOM 301 N3 DC B 4 0.888 -0.567 -2.202 1.00 10.00 N ATOM 302 C4 DC B 4 1.720 0.406 -2.604 1.00 10.00 C ATOM 303 N4 DC B 4 1.495 1.652 -2.182 1.00 10.00 N ATOM 304 C5 DC B 4 2.844 0.123 -3.451 1.00 10.00 C ATOM 305 C6 DC B 4 3.026 -1.163 -3.813 1.00 10.00 C ATOM 0 H5' DC B 4 6.196 -4.930 -4.028 1.00 10.00 H new ATOM 0 H5'' DC B 4 5.933 -5.415 -5.691 1.00 10.00 H new ATOM 0 H4' DC B 4 3.944 -5.844 -4.342 1.00 10.00 H new ATOM 0 H3' DC B 4 3.824 -4.049 -6.706 1.00 10.00 H new ATOM 0 H2' DC B 4 2.192 -2.643 -5.824 1.00 10.00 H new ATOM 0 H2'' DC B 4 1.178 -4.049 -5.572 1.00 10.00 H new ATOM 0 H1' DC B 4 1.759 -4.211 -3.299 1.00 10.00 H new ATOM 0 H41 DC B 4 2.113 2.409 -2.474 1.00 10.00 H new ATOM 0 H42 DC B 4 0.705 1.847 -1.568 1.00 10.00 H new ATOM 0 H5 DC B 4 3.513 0.904 -3.783 1.00 10.00 H new ATOM 0 H6 DC B 4 3.859 -1.418 -4.451 1.00 10.00 H new ATOM 317 P DA B 5 2.087 -5.801 -7.919 1.00 10.00 P ATOM 318 OP1 DA B 5 2.051 -7.223 -8.329 1.00 10.00 O ATOM 319 OP2 DA B 5 2.763 -4.814 -8.790 1.00 10.00 O ATOM 320 O5' DA B 5 0.560 -5.306 -7.712 1.00 10.00 O ATOM 321 C5' DA B 5 -0.403 -6.104 -7.045 1.00 10.00 C ATOM 322 C4' DA B 5 -1.804 -5.504 -7.214 1.00 10.00 C ATOM 323 O4' DA B 5 -1.856 -4.137 -6.827 1.00 10.00 O ATOM 324 C3' DA B 5 -2.295 -5.580 -8.669 1.00 10.00 C ATOM 325 O3' DA B 5 -3.320 -6.556 -8.765 1.00 10.00 O ATOM 326 C2' DA B 5 -2.768 -4.153 -8.957 1.00 10.00 C ATOM 327 C1' DA B 5 -2.893 -3.525 -7.574 1.00 10.00 C ATOM 328 N9 DA B 5 -2.742 -2.057 -7.629 1.00 10.00 N ATOM 329 C8 DA B 5 -1.670 -1.362 -8.105 1.00 10.00 C ATOM 330 N7 DA B 5 -1.759 -0.067 -7.985 1.00 10.00 N ATOM 331 C5 DA B 5 -2.999 0.113 -7.381 1.00 10.00 C ATOM 332 C6 DA B 5 -3.696 1.260 -6.947 1.00 10.00 C ATOM 333 N6 DA B 5 -3.199 2.497 -7.062 1.00 10.00 N ATOM 334 N1 DA B 5 -4.908 1.098 -6.385 1.00 10.00 N ATOM 335 C2 DA B 5 -5.403 -0.133 -6.258 1.00 10.00 C ATOM 336 N3 DA B 5 -4.849 -1.288 -6.622 1.00 10.00 N ATOM 337 C4 DA B 5 -3.623 -1.096 -7.182 1.00 10.00 C ATOM 0 H5' DA B 5 -0.156 -6.174 -5.986 1.00 10.00 H new ATOM 0 H5'' DA B 5 -0.384 -7.118 -7.444 1.00 10.00 H new ATOM 0 H4' DA B 5 -2.445 -6.102 -6.566 1.00 10.00 H new ATOM 0 H3' DA B 5 -1.545 -5.889 -9.397 1.00 10.00 H new ATOM 0 H2' DA B 5 -2.054 -3.613 -9.579 1.00 10.00 H new ATOM 0 H2'' DA B 5 -3.721 -4.147 -9.487 1.00 10.00 H new ATOM 0 H1' DA B 5 -3.874 -3.686 -7.127 1.00 10.00 H new ATOM 0 H8 DA B 5 -0.813 -1.847 -8.548 1.00 10.00 H new ATOM 0 H61 DA B 5 -3.740 3.297 -6.734 1.00 10.00 H new ATOM 0 H62 DA B 5 -2.279 2.640 -7.478 1.00 10.00 H new ATOM 0 H2 DA B 5 -6.379 -0.203 -5.801 1.00 10.00 H new ATOM 349 P DT B 6 -4.018 -6.950 -10.170 1.00 10.00 P ATOM 350 OP1 DT B 6 -4.614 -8.298 -10.030 1.00 10.00 O ATOM 351 OP2 DT B 6 -3.068 -6.677 -11.271 1.00 10.00 O ATOM 352 O5' DT B 6 -5.218 -5.880 -10.265 1.00 10.00 O ATOM 353 C5' DT B 6 -6.308 -5.929 -9.368 1.00 10.00 C ATOM 354 C4' DT B 6 -7.188 -4.685 -9.510 1.00 10.00 C ATOM 355 O4' DT B 6 -6.494 -3.527 -9.090 1.00 10.00 O ATOM 356 C3' DT B 6 -7.627 -4.379 -10.942 1.00 10.00 C ATOM 357 O3' DT B 6 -8.818 -5.058 -11.281 1.00 10.00 O ATOM 358 C2' DT B 6 -7.825 -2.864 -10.918 1.00 10.00 C ATOM 359 C1' DT B 6 -7.203 -2.410 -9.592 1.00 10.00 C ATOM 360 N1 DT B 6 -6.286 -1.256 -9.788 1.00 10.00 N ATOM 361 C2 DT B 6 -6.645 -0.015 -9.262 1.00 10.00 C ATOM 362 O2 DT B 6 -7.684 0.181 -8.637 1.00 10.00 O ATOM 363 N3 DT B 6 -5.750 1.022 -9.479 1.00 10.00 N ATOM 364 C4 DT B 6 -4.548 0.938 -10.164 1.00 10.00 C ATOM 365 O4 DT B 6 -3.832 1.931 -10.266 1.00 10.00 O ATOM 366 C5 DT B 6 -4.261 -0.379 -10.705 1.00 10.00 C ATOM 367 C7 DT B 6 -2.992 -0.591 -11.507 1.00 10.00 C ATOM 368 C6 DT B 6 -5.123 -1.410 -10.505 1.00 10.00 C ATOM 0 H5' DT B 6 -5.939 -6.004 -8.345 1.00 10.00 H new ATOM 0 H5'' DT B 6 -6.902 -6.823 -9.559 1.00 10.00 H new ATOM 0 H4' DT B 6 -8.060 -4.916 -8.898 1.00 10.00 H new ATOM 0 H3' DT B 6 -6.906 -4.706 -11.691 1.00 10.00 H new ATOM 0 H2' DT B 6 -7.337 -2.387 -11.768 1.00 10.00 H new ATOM 0 H2'' DT B 6 -8.882 -2.602 -10.970 1.00 10.00 H new ATOM 0 HO3' DT B 6 -9.069 -4.837 -12.202 1.00 10.00 H new ATOM 0 H1' DT B 6 -7.974 -2.075 -8.898 1.00 10.00 H new ATOM 0 H3 DT B 6 -6.000 1.934 -9.098 1.00 10.00 H new ATOM 0 H71 DT B 6 -2.652 -1.619 -11.385 1.00 10.00 H new ATOM 0 H72 DT B 6 -3.191 -0.398 -12.561 1.00 10.00 H new ATOM 0 H73 DT B 6 -2.219 0.091 -11.153 1.00 10.00 H new ATOM 0 H6 DT B 6 -4.888 -2.378 -10.921 1.00 10.00 H new TER 382 DT B 6 HETATM 383 O11 NF A 7 -0.901 2.822 -4.407 1.00 10.00 O HETATM 384 C11 NF A 7 -1.908 2.313 -3.992 1.00 10.00 C HETATM 385 N21 NF A 7 -2.904 3.090 -3.389 1.00 10.00 N HETATM 386 C12 NF A 7 -2.660 4.555 -3.269 1.00 10.00 C HETATM 387 C31 NF A 7 -4.104 2.567 -2.891 1.00 10.00 C HETATM 388 O31 NF A 7 -4.926 3.283 -2.385 1.00 10.00 O HETATM 389 CX3 NF A 7 -4.319 1.087 -2.993 1.00 10.00 C HETATM 390 CXD NF A 7 -3.319 0.262 -3.570 1.00 10.00 C HETATM 391 CXT NF A 7 -2.123 0.836 -4.073 1.00 10.00 C HETATM 392 C91 NF A 7 -1.154 0.038 -4.640 1.00 10.00 C HETATM 393 C81 NF A 7 -1.332 -1.351 -4.721 1.00 10.00 C HETATM 394 C71 NF A 7 -2.494 -1.951 -4.219 1.00 10.00 C HETATM 395 CXN NF A 7 -3.516 -1.146 -3.640 1.00 10.00 C HETATM 396 C61 NF A 7 -4.726 -1.698 -3.132 1.00 10.00 C HETATM 397 C51 NF A 7 -5.701 -0.857 -2.577 1.00 10.00 C HETATM 398 C41 NF A 7 -5.486 0.529 -2.517 1.00 10.00 C HETATM 399 C22 NF A 7 -1.836 4.967 -2.045 1.00 10.00 C HETATM 400 N32 NF A 7 -0.524 4.291 -2.025 1.00 10.00 N HETATM 401 C42 NF A 7 0.532 4.875 -1.170 1.00 10.00 C HETATM 402 C52 NF A 7 0.612 4.231 0.222 1.00 10.00 C HETATM 403 C62 NF A 7 1.908 4.659 0.912 1.00 10.00 C HETATM 404 N72 NF A 7 2.083 3.979 2.209 1.00 10.00 N HETATM 405 C82 NF A 7 3.374 4.303 2.840 1.00 10.00 C HETATM 406 O13 NF A 7 1.357 2.167 4.958 1.00 10.00 O HETATM 407 C13 NF A 7 2.244 1.490 4.513 1.00 10.00 C HETATM 408 N23 NF A 7 3.418 2.074 4.025 1.00 10.00 N HETATM 409 C92 NF A 7 3.583 3.547 4.153 1.00 10.00 C HETATM 410 C33 NF A 7 4.456 1.353 3.425 1.00 10.00 C HETATM 411 O33 NF A 7 5.420 1.919 2.989 1.00 10.00 O HETATM 412 CX5 NF A 7 4.317 -0.136 3.337 1.00 10.00 C HETATM 413 CXF NF A 7 3.158 -0.771 3.852 1.00 10.00 C HETATM 414 CXV NF A 7 2.124 0.000 4.444 1.00 10.00 C HETATM 415 C93 NF A 7 1.005 -0.616 4.956 1.00 10.00 C HETATM 416 C83 NF A 7 0.873 -2.010 4.900 1.00 10.00 C HETATM 417 C73 NF A 7 1.860 -2.800 4.296 1.00 10.00 C HETATM 418 CXP NF A 7 3.030 -2.186 3.766 1.00 10.00 C HETATM 419 C63 NF A 7 4.076 -2.937 3.157 1.00 10.00 C HETATM 420 C53 NF A 7 5.207 -2.280 2.653 1.00 10.00 C HETATM 421 C43 NF A 7 5.314 -0.885 2.749 1.00 10.00 C HETATM 0 H922 NF A 7 4.583 3.761 4.530 1.00 10.00 H new HETATM 0 H912 NF A 7 2.876 3.920 4.894 1.00 10.00 H new HETATM 0 H822 NF A 7 4.184 4.061 2.151 1.00 10.00 H new HETATM 0 H812 NF A 7 3.425 5.375 3.028 1.00 10.00 H new HETATM 0 H722 NF A 7 1.324 4.246 2.836 1.00 10.00 H new HETATM 0 H712 NF A 7 2.017 2.970 2.073 1.00 10.00 H new HETATM 0 H622 NF A 7 2.756 4.434 0.265 1.00 10.00 H new HETATM 0 H612 NF A 7 1.900 5.738 1.065 1.00 10.00 H new HETATM 0 H522 NF A 7 -0.247 4.530 0.822 1.00 10.00 H new HETATM 0 H512 NF A 7 0.577 3.145 0.134 1.00 10.00 H new HETATM 0 H422 NF A 7 1.495 4.766 -1.669 1.00 10.00 H new HETATM 0 H412 NF A 7 0.350 5.944 -1.058 1.00 10.00 H new HETATM 0 H322 NF A 7 -0.671 3.326 -1.728 1.00 10.00 H new HETATM 0 H312 NF A 7 -0.172 4.258 -2.982 1.00 10.00 H new HETATM 0 H222 NF A 7 -1.690 6.047 -2.050 1.00 10.00 H new HETATM 0 H212 NF A 7 -2.386 4.724 -1.136 1.00 10.00 H new HETATM 0 H122 NF A 7 -2.148 4.899 -4.168 1.00 10.00 H new HETATM 0 H112 NF A 7 -3.621 5.068 -3.233 1.00 10.00 H new HETATM 0 H93 NF A 7 0.216 -0.015 5.408 1.00 10.00 H new HETATM 0 H91 NF A 7 -0.241 0.490 -5.029 1.00 10.00 H new HETATM 0 H83 NF A 7 -0.008 -2.485 5.331 1.00 10.00 H new HETATM 0 H81 NF A 7 -0.559 -1.969 -5.179 1.00 10.00 H new HETATM 0 H73 NF A 7 1.733 -3.881 4.232 1.00 10.00 H new HETATM 0 H71 NF A 7 -2.616 -3.033 -4.272 1.00 10.00 H new HETATM 0 H63 NF A 7 3.997 -4.022 3.083 1.00 10.00 H new HETATM 0 H61 NF A 7 -4.894 -2.774 -3.175 1.00 10.00 H new HETATM 0 H53 NF A 7 6.006 -2.855 2.185 1.00 10.00 H new HETATM 0 H51 NF A 7 -6.628 -1.280 -2.191 1.00 10.00 H new HETATM 0 H43 NF A 7 6.198 -0.386 2.353 1.00 10.00 H new HETATM 0 H41 NF A 7 -6.253 1.173 -2.088 1.00 10.00 H new