USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 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 DC O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.6! (180deg=-1.6!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -1.74! (180deg=-1.74!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 3.815 -8.702 -2.285 1.00 0.00 O ATOM 2 C5' DC A 1 3.750 -9.176 -0.957 1.00 0.00 C ATOM 3 C4' DC A 1 4.076 -8.045 0.024 1.00 0.00 C ATOM 4 O4' DC A 1 3.105 -7.020 -0.034 1.00 0.00 O ATOM 5 C3' DC A 1 4.160 -8.519 1.479 1.00 0.00 C ATOM 6 O3' DC A 1 5.549 -8.692 1.729 1.00 0.00 O ATOM 7 C2' DC A 1 3.472 -7.353 2.242 1.00 0.00 C ATOM 8 C1' DC A 1 3.212 -6.289 1.167 1.00 0.00 C ATOM 9 N1 DC A 1 1.998 -5.469 1.400 1.00 0.00 N ATOM 10 C2 DC A 1 2.059 -4.073 1.432 1.00 0.00 C ATOM 11 O2 DC A 1 3.128 -3.475 1.338 1.00 0.00 O ATOM 12 N3 DC A 1 0.891 -3.376 1.572 1.00 0.00 N ATOM 13 C4 DC A 1 -0.288 -4.010 1.680 1.00 0.00 C ATOM 14 N4 DC A 1 -1.404 -3.286 1.826 1.00 0.00 N ATOM 15 C5 DC A 1 -0.371 -5.442 1.588 1.00 0.00 C ATOM 16 C6 DC A 1 0.797 -6.106 1.442 1.00 0.00 C ATOM 0 H5' DC A 1 4.452 -9.999 -0.822 1.00 0.00 H new ATOM 0 H5'' DC A 1 2.755 -9.570 -0.752 1.00 0.00 H new ATOM 0 H4' DC A 1 5.053 -7.673 -0.286 1.00 0.00 H new ATOM 0 H3' DC A 1 3.681 -9.456 1.761 1.00 0.00 H new ATOM 0 H2' DC A 1 2.543 -7.679 2.710 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.111 -6.967 3.036 1.00 0.00 H new ATOM 0 HO5' DC A 1 3.607 -9.433 -2.904 1.00 0.00 H new ATOM 0 H1' DC A 1 4.019 -5.556 1.161 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.307 -3.752 1.909 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.351 -2.268 1.854 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.317 -5.960 1.633 1.00 0.00 H new ATOM 0 H6 DC A 1 0.776 -7.182 1.355 1.00 0.00 H new ATOM 29 P DG A 2 6.228 -8.652 3.189 1.00 0.00 P ATOM 30 OP1 DG A 2 7.587 -9.227 3.077 1.00 0.00 O ATOM 31 OP2 DG A 2 5.270 -9.211 4.169 1.00 0.00 O ATOM 32 O5' DG A 2 6.375 -7.066 3.463 1.00 0.00 O ATOM 33 C5' DG A 2 6.980 -6.188 2.528 1.00 0.00 C ATOM 34 C4' DG A 2 7.110 -4.780 3.092 1.00 0.00 C ATOM 35 O4' DG A 2 5.850 -4.139 2.966 1.00 0.00 O ATOM 36 C3' DG A 2 7.540 -4.746 4.566 1.00 0.00 C ATOM 37 O3' DG A 2 8.513 -3.729 4.696 1.00 0.00 O ATOM 38 C2' DG A 2 6.184 -4.475 5.205 1.00 0.00 C ATOM 39 C1' DG A 2 5.574 -3.518 4.192 1.00 0.00 C ATOM 40 N9 DG A 2 4.120 -3.341 4.395 1.00 0.00 N ATOM 41 C8 DG A 2 3.214 -4.297 4.765 1.00 0.00 C ATOM 42 N7 DG A 2 1.976 -3.898 4.776 1.00 0.00 N ATOM 43 C5 DG A 2 2.065 -2.559 4.413 1.00 0.00 C ATOM 44 C6 DG A 2 1.031 -1.593 4.249 1.00 0.00 C ATOM 45 O6 DG A 2 -0.180 -1.780 4.295 1.00 0.00 O ATOM 46 N1 DG A 2 1.527 -0.315 4.011 1.00 0.00 N ATOM 47 C2 DG A 2 2.869 -0.020 3.851 1.00 0.00 C ATOM 48 N2 DG A 2 3.185 1.260 3.631 1.00 0.00 N ATOM 49 N3 DG A 2 3.840 -0.949 3.912 1.00 0.00 N ATOM 50 C4 DG A 2 3.376 -2.195 4.210 1.00 0.00 C ATOM 0 H5' DG A 2 6.387 -6.162 1.614 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.966 -6.566 2.257 1.00 0.00 H new ATOM 0 H4' DG A 2 7.892 -4.271 2.528 1.00 0.00 H new ATOM 0 H3' DG A 2 8.020 -5.617 5.012 1.00 0.00 H new ATOM 0 H2' DG A 2 5.594 -5.384 5.322 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.276 -4.026 6.194 1.00 0.00 H new ATOM 0 H1' DG A 2 5.982 -2.510 4.268 1.00 0.00 H new ATOM 0 H8 DG A 2 3.504 -5.304 5.027 1.00 0.00 H new ATOM 0 H1 DG A 2 0.859 0.453 3.951 1.00 0.00 H new ATOM 0 H21 DG A 2 4.161 1.530 3.506 1.00 0.00 H new ATOM 0 H22 DG A 2 2.450 1.966 3.588 1.00 0.00 H new ATOM 62 P DC A 3 9.004 -3.156 6.113 1.00 0.00 P ATOM 63 OP1 DC A 3 10.447 -2.839 6.017 1.00 0.00 O ATOM 64 OP2 DC A 3 8.508 -4.027 7.201 1.00 0.00 O ATOM 65 O5' DC A 3 8.172 -1.780 6.124 1.00 0.00 O ATOM 66 C5' DC A 3 8.467 -0.751 5.196 1.00 0.00 C ATOM 67 C4' DC A 3 7.713 0.526 5.557 1.00 0.00 C ATOM 68 O4' DC A 3 6.321 0.324 5.419 1.00 0.00 O ATOM 69 C3' DC A 3 8.005 0.977 6.996 1.00 0.00 C ATOM 70 O3' DC A 3 8.525 2.294 6.933 1.00 0.00 O ATOM 71 C2' DC A 3 6.657 0.840 7.683 1.00 0.00 C ATOM 72 C1' DC A 3 5.662 0.888 6.533 1.00 0.00 C ATOM 73 N1 DC A 3 4.492 0.042 6.878 1.00 0.00 N ATOM 74 C2 DC A 3 3.227 0.608 7.027 1.00 0.00 C ATOM 75 O2 DC A 3 3.035 1.812 6.876 1.00 0.00 O ATOM 76 N3 DC A 3 2.189 -0.217 7.347 1.00 0.00 N ATOM 77 C4 DC A 3 2.371 -1.531 7.548 1.00 0.00 C ATOM 78 N4 DC A 3 1.314 -2.304 7.809 1.00 0.00 N ATOM 79 C5 DC A 3 3.674 -2.117 7.449 1.00 0.00 C ATOM 80 C6 DC A 3 4.684 -1.301 7.091 1.00 0.00 C ATOM 0 H5' DC A 3 8.193 -1.070 4.191 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.540 -0.557 5.188 1.00 0.00 H new ATOM 0 H4' DC A 3 8.054 1.304 4.874 1.00 0.00 H new ATOM 0 H3' DC A 3 8.749 0.406 7.550 1.00 0.00 H new ATOM 0 H2' DC A 3 6.583 -0.095 8.238 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.486 1.648 8.395 1.00 0.00 H new ATOM 0 H1' DC A 3 5.324 1.904 6.331 1.00 0.00 H new ATOM 0 H41 DC A 3 1.440 -3.304 7.964 1.00 0.00 H new ATOM 0 H42 DC A 3 0.381 -1.894 7.854 1.00 0.00 H new ATOM 0 H5 DC A 3 3.839 -3.165 7.652 1.00 0.00 H new ATOM 0 H6 DC A 3 5.674 -1.715 6.968 1.00 0.00 H new ATOM 92 P DT A 4 8.871 3.167 8.240 1.00 0.00 P ATOM 93 OP1 DT A 4 9.724 4.303 7.825 1.00 0.00 O ATOM 94 OP2 DT A 4 9.327 2.255 9.313 1.00 0.00 O ATOM 95 O5' DT A 4 7.423 3.741 8.642 1.00 0.00 O ATOM 96 C5' DT A 4 6.661 4.535 7.750 1.00 0.00 C ATOM 97 C4' DT A 4 5.375 5.003 8.438 1.00 0.00 C ATOM 98 O4' DT A 4 4.499 3.903 8.595 1.00 0.00 O ATOM 99 C3' DT A 4 5.623 5.626 9.816 1.00 0.00 C ATOM 100 O3' DT A 4 5.254 6.994 9.831 1.00 0.00 O ATOM 101 C2' DT A 4 4.798 4.743 10.754 1.00 0.00 C ATOM 102 C1' DT A 4 3.822 4.025 9.828 1.00 0.00 C ATOM 103 N1 DT A 4 3.420 2.665 10.293 1.00 0.00 N ATOM 104 C2 DT A 4 2.062 2.354 10.339 1.00 0.00 C ATOM 105 O2 DT A 4 1.172 3.198 10.279 1.00 0.00 O ATOM 106 N3 DT A 4 1.744 1.009 10.462 1.00 0.00 N ATOM 107 C4 DT A 4 2.639 -0.046 10.552 1.00 0.00 C ATOM 108 O4 DT A 4 2.215 -1.197 10.639 1.00 0.00 O ATOM 109 C5 DT A 4 4.035 0.357 10.532 1.00 0.00 C ATOM 110 C7 DT A 4 5.134 -0.697 10.557 1.00 0.00 C ATOM 111 C6 DT A 4 4.366 1.670 10.419 1.00 0.00 C ATOM 0 H5' DT A 4 6.417 3.961 6.856 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.245 5.397 7.426 1.00 0.00 H new ATOM 0 H4' DT A 4 4.940 5.772 7.800 1.00 0.00 H new ATOM 0 H3' DT A 4 6.671 5.646 10.116 1.00 0.00 H new ATOM 0 H2' DT A 4 5.429 4.036 11.293 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.274 5.337 11.502 1.00 0.00 H new ATOM 0 H1' DT A 4 2.896 4.599 9.778 1.00 0.00 H new ATOM 0 H3 DT A 4 0.752 0.773 10.489 1.00 0.00 H new ATOM 0 H71 DT A 4 6.010 -0.322 10.027 1.00 0.00 H new ATOM 0 H72 DT A 4 5.402 -0.918 11.590 1.00 0.00 H new ATOM 0 H73 DT A 4 4.778 -1.606 10.072 1.00 0.00 H new ATOM 0 H6 DT A 4 5.410 1.945 10.428 1.00 0.00 H new ATOM 124 P DA A 5 5.439 7.919 11.145 1.00 0.00 P ATOM 125 OP1 DA A 5 5.638 9.319 10.706 1.00 0.00 O ATOM 126 OP2 DA A 5 6.422 7.282 12.050 1.00 0.00 O ATOM 127 O5' DA A 5 3.981 7.801 11.817 1.00 0.00 O ATOM 128 C5' DA A 5 2.858 8.359 11.172 1.00 0.00 C ATOM 129 C4' DA A 5 1.551 7.964 11.847 1.00 0.00 C ATOM 130 O4' DA A 5 1.455 6.554 11.916 1.00 0.00 O ATOM 131 C3' DA A 5 1.437 8.513 13.272 1.00 0.00 C ATOM 132 O3' DA A 5 0.104 8.924 13.462 1.00 0.00 O ATOM 133 C2' DA A 5 1.785 7.303 14.113 1.00 0.00 C ATOM 134 C1' DA A 5 1.169 6.207 13.254 1.00 0.00 C ATOM 135 N9 DA A 5 1.669 4.847 13.536 1.00 0.00 N ATOM 136 C8 DA A 5 2.949 4.408 13.768 1.00 0.00 C ATOM 137 N7 DA A 5 3.065 3.107 13.825 1.00 0.00 N ATOM 138 C5 DA A 5 1.763 2.649 13.635 1.00 0.00 C ATOM 139 C6 DA A 5 1.174 1.365 13.579 1.00 0.00 C ATOM 140 N6 DA A 5 1.864 0.222 13.678 1.00 0.00 N ATOM 141 N1 DA A 5 -0.158 1.286 13.404 1.00 0.00 N ATOM 142 C2 DA A 5 -0.865 2.404 13.266 1.00 0.00 C ATOM 143 N3 DA A 5 -0.432 3.656 13.262 1.00 0.00 N ATOM 144 C4 DA A 5 0.910 3.710 13.461 1.00 0.00 C ATOM 0 H5' DA A 5 2.840 8.034 10.132 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.948 9.445 11.165 1.00 0.00 H new ATOM 0 H4' DA A 5 0.748 8.389 11.245 1.00 0.00 H new ATOM 0 H3' DA A 5 2.071 9.367 13.509 1.00 0.00 H new ATOM 0 H2' DA A 5 2.860 7.179 14.241 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.348 7.348 15.110 1.00 0.00 H new ATOM 0 H1' DA A 5 0.102 6.157 13.471 1.00 0.00 H new ATOM 0 H8 DA A 5 3.786 5.078 13.892 1.00 0.00 H new ATOM 0 H61 DA A 5 1.378 -0.673 13.630 1.00 0.00 H new ATOM 0 H62 DA A 5 2.876 0.246 13.802 1.00 0.00 H new ATOM 0 H2 DA A 5 -1.930 2.274 13.141 1.00 0.00 H new ATOM 156 P DG A 6 -0.325 9.924 14.643 1.00 0.00 P ATOM 157 OP1 DG A 6 0.206 11.268 14.323 1.00 0.00 O ATOM 158 OP2 DG A 6 -0.005 9.303 15.945 1.00 0.00 O ATOM 159 O5' DG A 6 -1.924 9.963 14.456 1.00 0.00 O ATOM 160 C5' DG A 6 -2.677 8.870 13.949 1.00 0.00 C ATOM 161 C4' DG A 6 -2.871 7.664 14.886 1.00 0.00 C ATOM 162 O4' DG A 6 -1.975 6.561 14.723 1.00 0.00 O ATOM 163 C3' DG A 6 -2.915 7.979 16.390 1.00 0.00 C ATOM 164 O3' DG A 6 -4.257 7.963 16.846 1.00 0.00 O ATOM 165 C2' DG A 6 -2.010 6.890 16.951 1.00 0.00 C ATOM 166 C1' DG A 6 -2.067 5.790 15.917 1.00 0.00 C ATOM 167 N9 DG A 6 -1.026 4.762 16.175 1.00 0.00 N ATOM 168 C8 DG A 6 0.290 4.910 16.545 1.00 0.00 C ATOM 169 N7 DG A 6 0.921 3.792 16.763 1.00 0.00 N ATOM 170 C5 DG A 6 -0.056 2.825 16.577 1.00 0.00 C ATOM 171 C6 DG A 6 0.028 1.410 16.710 1.00 0.00 C ATOM 172 O6 DG A 6 1.034 0.734 16.901 1.00 0.00 O ATOM 173 N1 DG A 6 -1.214 0.793 16.599 1.00 0.00 N ATOM 174 C2 DG A 6 -2.397 1.454 16.339 1.00 0.00 C ATOM 175 N2 DG A 6 -3.514 0.720 16.313 1.00 0.00 N ATOM 176 N3 DG A 6 -2.466 2.781 16.154 1.00 0.00 N ATOM 177 C4 DG A 6 -1.265 3.410 16.289 1.00 0.00 C ATOM 0 H5' DG A 6 -2.193 8.518 13.038 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.662 9.240 13.664 1.00 0.00 H new ATOM 0 H4' DG A 6 -3.860 7.367 14.537 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.571 8.967 16.696 1.00 0.00 H new ATOM 0 H2' DG A 6 -0.991 7.252 17.091 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.361 6.542 17.922 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.952 5.154 15.895 1.00 0.00 H new ATOM 0 H8 DG A 6 0.762 5.876 16.647 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.253 -0.219 16.718 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.412 1.165 16.125 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.468 -0.285 16.481 1.00 0.00 H new ATOM 189 P DC A 7 -4.674 8.021 18.410 1.00 0.00 P ATOM 190 OP1 DC A 7 -5.937 8.785 18.523 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.502 8.413 19.224 1.00 0.00 O ATOM 192 O5' DC A 7 -5.000 6.463 18.686 1.00 0.00 O ATOM 193 C5' DC A 7 -5.897 5.784 17.830 1.00 0.00 C ATOM 194 C4' DC A 7 -6.282 4.377 18.287 1.00 0.00 C ATOM 195 O4' DC A 7 -5.201 3.485 18.086 1.00 0.00 O ATOM 196 C3' DC A 7 -6.746 4.313 19.743 1.00 0.00 C ATOM 197 O3' DC A 7 -7.946 3.559 19.808 1.00 0.00 O ATOM 198 C2' DC A 7 -5.547 3.647 20.385 1.00 0.00 C ATOM 199 C1' DC A 7 -4.962 2.775 19.280 1.00 0.00 C ATOM 200 N1 DC A 7 -3.493 2.645 19.464 1.00 0.00 N ATOM 201 C2 DC A 7 -2.895 1.401 19.690 1.00 0.00 C ATOM 202 O2 DC A 7 -3.556 0.366 19.739 1.00 0.00 O ATOM 203 N3 DC A 7 -1.539 1.359 19.859 1.00 0.00 N ATOM 204 C4 DC A 7 -0.797 2.479 19.818 1.00 0.00 C ATOM 205 N4 DC A 7 0.528 2.394 19.956 1.00 0.00 N ATOM 206 C5 DC A 7 -1.396 3.758 19.578 1.00 0.00 C ATOM 207 C6 DC A 7 -2.729 3.781 19.397 1.00 0.00 C ATOM 0 H5' DC A 7 -5.450 5.719 16.838 1.00 0.00 H new ATOM 0 H5'' DC A 7 -6.805 6.380 17.732 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.134 4.080 17.676 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.998 5.254 20.231 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.824 4.383 20.735 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.839 3.051 21.249 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.401 1.777 19.278 1.00 0.00 H new ATOM 0 H41 DC A 7 1.099 3.239 19.926 1.00 0.00 H new ATOM 0 H42 DC A 7 0.969 1.484 20.091 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.805 4.661 19.544 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.213 4.725 19.192 1.00 0.00 H new ATOM 219 P DG A 8 -8.782 3.363 21.176 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.126 2.851 20.827 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.652 4.589 21.994 1.00 0.00 O ATOM 222 O5' DG A 8 -7.971 2.182 21.907 1.00 0.00 O ATOM 223 C5' DG A 8 -7.863 0.898 21.324 1.00 0.00 C ATOM 224 C4' DG A 8 -6.980 -0.014 22.181 1.00 0.00 C ATOM 225 O4' DG A 8 -5.615 0.296 21.952 1.00 0.00 O ATOM 226 C3' DG A 8 -7.228 0.104 23.697 1.00 0.00 C ATOM 227 O3' DG A 8 -7.383 -1.170 24.287 1.00 0.00 O ATOM 228 C2' DG A 8 -5.941 0.754 24.191 1.00 0.00 C ATOM 229 C1' DG A 8 -4.946 0.189 23.187 1.00 0.00 C ATOM 230 N9 DG A 8 -3.648 0.898 23.174 1.00 0.00 N ATOM 231 C8 DG A 8 -3.387 2.246 23.206 1.00 0.00 C ATOM 232 N7 DG A 8 -2.118 2.540 23.127 1.00 0.00 N ATOM 233 C5 DG A 8 -1.487 1.301 23.049 1.00 0.00 C ATOM 234 C6 DG A 8 -0.100 0.971 22.948 1.00 0.00 C ATOM 235 O6 DG A 8 0.860 1.735 22.891 1.00 0.00 O ATOM 236 N1 DG A 8 0.121 -0.406 22.917 1.00 0.00 N ATOM 237 C2 DG A 8 -0.878 -1.357 22.986 1.00 0.00 C ATOM 238 N2 DG A 8 -0.504 -2.640 22.968 1.00 0.00 N ATOM 239 N3 DG A 8 -2.181 -1.049 23.064 1.00 0.00 N ATOM 240 C4 DG A 8 -2.418 0.291 23.089 1.00 0.00 C ATOM 0 H5' DG A 8 -7.442 0.982 20.322 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.854 0.457 21.217 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.237 -1.030 21.881 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.132 0.661 23.941 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.988 1.843 24.161 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.701 0.473 25.216 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.537 -1.068 25.249 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.669 -0.835 23.437 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.161 2.994 23.289 1.00 0.00 H new ATOM 0 H1 DG A 8 1.084 -0.732 22.838 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.207 -3.377 23.017 1.00 0.00 H new ATOM 0 H22 DG A 8 0.485 -2.882 22.905 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 6.672 -6.870 25.915 1.00 0.00 O ATOM 255 C5' DC B 1 7.213 -6.744 24.617 1.00 0.00 C ATOM 256 C4' DC B 1 6.090 -6.549 23.593 1.00 0.00 C ATOM 257 O4' DC B 1 5.423 -5.311 23.805 1.00 0.00 O ATOM 258 C3' DC B 1 6.621 -6.447 22.155 1.00 0.00 C ATOM 259 O3' DC B 1 6.863 -7.645 21.421 1.00 0.00 O ATOM 260 C2' DC B 1 5.616 -5.490 21.473 1.00 0.00 C ATOM 261 C1' DC B 1 4.710 -5.007 22.619 1.00 0.00 C ATOM 262 N1 DC B 1 4.311 -3.575 22.508 1.00 0.00 N ATOM 263 C2 DC B 1 2.965 -3.190 22.475 1.00 0.00 C ATOM 264 O2 DC B 1 2.056 -4.013 22.554 1.00 0.00 O ATOM 265 N3 DC B 1 2.670 -1.860 22.351 1.00 0.00 N ATOM 266 C4 DC B 1 3.642 -0.938 22.256 1.00 0.00 C ATOM 267 N4 DC B 1 3.312 0.350 22.117 1.00 0.00 N ATOM 268 C5 DC B 1 5.026 -1.310 22.332 1.00 0.00 C ATOM 269 C6 DC B 1 5.291 -2.630 22.461 1.00 0.00 C ATOM 0 H5' DC B 1 7.792 -7.634 24.368 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.899 -5.897 24.581 1.00 0.00 H new ATOM 0 H4' DC B 1 5.439 -7.414 23.720 1.00 0.00 H new ATOM 0 H3' DC B 1 7.650 -6.088 22.180 1.00 0.00 H new ATOM 0 H2' DC B 1 6.126 -4.656 20.991 1.00 0.00 H new ATOM 0 H2'' DC B 1 5.041 -6.002 20.701 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.398 -6.996 26.561 1.00 0.00 H new ATOM 0 H1' DC B 1 3.745 -5.513 22.598 1.00 0.00 H new ATOM 0 H41 DC B 1 4.042 1.059 22.044 1.00 0.00 H new ATOM 0 H42 DC B 1 2.330 0.624 22.084 1.00 0.00 H new ATOM 0 H5 DC B 1 5.815 -0.574 22.288 1.00 0.00 H new ATOM 0 H6 DC B 1 6.321 -2.948 22.529 1.00 0.00 H new ATOM 282 P DG B 2 5.845 -8.906 21.271 1.00 0.00 P ATOM 283 OP1 DG B 2 5.649 -9.506 22.610 1.00 0.00 O ATOM 284 OP2 DG B 2 6.376 -9.754 20.181 1.00 0.00 O ATOM 285 O5' DG B 2 4.429 -8.312 20.757 1.00 0.00 O ATOM 286 C5' DG B 2 3.247 -8.479 21.515 1.00 0.00 C ATOM 287 C4' DG B 2 1.991 -8.019 20.792 1.00 0.00 C ATOM 288 O4' DG B 2 1.911 -6.606 20.854 1.00 0.00 O ATOM 289 C3' DG B 2 1.897 -8.455 19.321 1.00 0.00 C ATOM 290 O3' DG B 2 0.617 -9.032 19.160 1.00 0.00 O ATOM 291 C2' DG B 2 2.144 -7.105 18.650 1.00 0.00 C ATOM 292 C1' DG B 2 1.420 -6.178 19.612 1.00 0.00 C ATOM 293 N9 DG B 2 1.737 -4.753 19.369 1.00 0.00 N ATOM 294 C8 DG B 2 2.935 -4.213 18.980 1.00 0.00 C ATOM 295 N7 DG B 2 2.969 -2.912 18.986 1.00 0.00 N ATOM 296 C5 DG B 2 1.680 -2.556 19.362 1.00 0.00 C ATOM 297 C6 DG B 2 1.108 -1.262 19.532 1.00 0.00 C ATOM 298 O6 DG B 2 1.685 -0.180 19.510 1.00 0.00 O ATOM 299 N1 DG B 2 -0.267 -1.311 19.745 1.00 0.00 N ATOM 300 C2 DG B 2 -0.990 -2.481 19.885 1.00 0.00 C ATOM 301 N2 DG B 2 -2.309 -2.360 20.070 1.00 0.00 N ATOM 302 N3 DG B 2 -0.431 -3.703 19.831 1.00 0.00 N ATOM 303 C4 DG B 2 0.901 -3.673 19.550 1.00 0.00 C ATOM 0 H5' DG B 2 3.343 -7.925 22.449 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.140 -9.531 21.779 1.00 0.00 H new ATOM 0 H4' DG B 2 1.160 -8.502 21.306 1.00 0.00 H new ATOM 0 H3' DG B 2 2.575 -9.209 18.920 1.00 0.00 H new ATOM 0 H2' DG B 2 3.205 -6.871 18.569 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.730 -7.061 17.643 1.00 0.00 H new ATOM 0 H1' DG B 2 0.335 -6.228 19.520 1.00 0.00 H new ATOM 0 H8 DG B 2 3.782 -4.818 18.692 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.773 -0.427 19.801 1.00 0.00 H new ATOM 0 H21 DG B 2 -2.887 -3.193 20.179 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.737 -1.435 20.102 1.00 0.00 H new ATOM 315 P DC B 3 -0.059 -9.315 17.734 1.00 0.00 P ATOM 316 OP1 DC B 3 -0.835 -10.572 17.821 1.00 0.00 O ATOM 317 OP2 DC B 3 0.942 -9.132 16.660 1.00 0.00 O ATOM 318 O5' DC B 3 -1.079 -8.075 17.719 1.00 0.00 O ATOM 319 C5' DC B 3 -2.149 -8.006 18.646 1.00 0.00 C ATOM 320 C4' DC B 3 -3.086 -6.865 18.257 1.00 0.00 C ATOM 321 O4' DC B 3 -2.417 -5.624 18.351 1.00 0.00 O ATOM 322 C3' DC B 3 -3.634 -7.030 16.832 1.00 0.00 C ATOM 323 O3' DC B 3 -5.050 -7.062 16.896 1.00 0.00 O ATOM 324 C2' DC B 3 -3.052 -5.830 16.105 1.00 0.00 C ATOM 325 C1' DC B 3 -2.744 -4.843 17.221 1.00 0.00 C ATOM 326 N1 DC B 3 -1.555 -4.040 16.847 1.00 0.00 N ATOM 327 C2 DC B 3 -1.645 -2.656 16.704 1.00 0.00 C ATOM 328 O2 DC B 3 -2.709 -2.059 16.852 1.00 0.00 O ATOM 329 N3 DC B 3 -0.508 -1.970 16.392 1.00 0.00 N ATOM 330 C4 DC B 3 0.660 -2.596 16.189 1.00 0.00 C ATOM 331 N4 DC B 3 1.754 -1.870 15.947 1.00 0.00 N ATOM 332 C5 DC B 3 0.754 -4.023 16.271 1.00 0.00 C ATOM 333 C6 DC B 3 -0.365 -4.685 16.626 1.00 0.00 C ATOM 0 H5' DC B 3 -1.763 -7.846 19.653 1.00 0.00 H new ATOM 0 H5'' DC B 3 -2.694 -8.950 18.660 1.00 0.00 H new ATOM 0 H4' DC B 3 -3.924 -6.892 18.953 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.362 -7.949 16.313 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.154 -6.097 15.548 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.760 -5.415 15.388 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.585 -4.175 17.409 1.00 0.00 H new ATOM 0 H41 DC B 3 2.649 -2.333 15.791 1.00 0.00 H new ATOM 0 H42 DC B 3 1.695 -0.852 15.918 1.00 0.00 H new ATOM 0 H5 DC B 3 1.676 -4.543 16.059 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.323 -5.758 16.740 1.00 0.00 H new ATOM 345 P DT B 4 -5.985 -7.147 15.585 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.344 -7.545 16.012 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.278 -7.931 14.548 1.00 0.00 O ATOM 348 O5' DT B 4 -6.034 -5.608 15.112 1.00 0.00 O ATOM 349 C5' DT B 4 -6.499 -4.588 15.976 1.00 0.00 C ATOM 350 C4' DT B 4 -6.510 -3.230 15.273 1.00 0.00 C ATOM 351 O4' DT B 4 -5.181 -2.771 15.117 1.00 0.00 O ATOM 352 C3' DT B 4 -7.183 -3.276 13.899 1.00 0.00 C ATOM 353 O3' DT B 4 -8.338 -2.457 13.870 1.00 0.00 O ATOM 354 C2' DT B 4 -6.068 -2.825 12.959 1.00 0.00 C ATOM 355 C1' DT B 4 -5.057 -2.131 13.866 1.00 0.00 C ATOM 356 N1 DT B 4 -3.638 -2.247 13.419 1.00 0.00 N ATOM 357 C2 DT B 4 -2.869 -1.086 13.352 1.00 0.00 C ATOM 358 O2 DT B 4 -3.347 0.045 13.387 1.00 0.00 O ATOM 359 N3 DT B 4 -1.499 -1.264 13.240 1.00 0.00 N ATOM 360 C4 DT B 4 -0.824 -2.473 13.180 1.00 0.00 C ATOM 361 O4 DT B 4 0.403 -2.480 13.096 1.00 0.00 O ATOM 362 C5 DT B 4 -1.691 -3.639 13.225 1.00 0.00 C ATOM 363 C7 DT B 4 -1.084 -5.037 13.219 1.00 0.00 C ATOM 364 C6 DT B 4 -3.038 -3.485 13.330 1.00 0.00 C ATOM 0 H5' DT B 4 -5.862 -4.538 16.859 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.504 -4.830 16.321 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.089 -2.552 15.899 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.567 -4.256 13.616 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.619 -3.673 12.441 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.445 -2.147 12.194 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.274 -1.063 13.874 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.929 -0.419 13.197 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.736 -5.719 13.765 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.976 -5.383 12.191 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.105 -5.011 13.697 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.662 -4.367 13.344 1.00 0.00 H new ATOM 377 P DA B 5 -9.254 -2.321 12.545 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.639 -2.009 12.962 1.00 0.00 O ATOM 379 OP2 DA B 5 -8.991 -3.474 11.655 1.00 0.00 O ATOM 380 O5' DA B 5 -8.614 -1.006 11.873 1.00 0.00 O ATOM 381 C5' DA B 5 -8.795 0.256 12.475 1.00 0.00 C ATOM 382 C4' DA B 5 -7.994 1.359 11.794 1.00 0.00 C ATOM 383 O4' DA B 5 -6.621 1.007 11.767 1.00 0.00 O ATOM 384 C3' DA B 5 -8.446 1.583 10.348 1.00 0.00 C ATOM 385 O3' DA B 5 -8.346 2.959 10.074 1.00 0.00 O ATOM 386 C2' DA B 5 -7.427 0.766 9.582 1.00 0.00 C ATOM 387 C1' DA B 5 -6.191 1.059 10.423 1.00 0.00 C ATOM 388 N9 DA B 5 -5.083 0.112 10.192 1.00 0.00 N ATOM 389 C8 DA B 5 -5.115 -1.236 9.940 1.00 0.00 C ATOM 390 N7 DA B 5 -3.934 -1.796 9.889 1.00 0.00 N ATOM 391 C5 DA B 5 -3.055 -0.734 10.089 1.00 0.00 C ATOM 392 C6 DA B 5 -1.646 -0.622 10.137 1.00 0.00 C ATOM 393 N6 DA B 5 -0.810 -1.662 10.031 1.00 0.00 N ATOM 394 N1 DA B 5 -1.113 0.604 10.302 1.00 0.00 N ATOM 395 C2 DA B 5 -1.920 1.653 10.437 1.00 0.00 C ATOM 396 N3 DA B 5 -3.244 1.676 10.450 1.00 0.00 N ATOM 397 C4 DA B 5 -3.755 0.433 10.264 1.00 0.00 C ATOM 0 H5' DA B 5 -8.504 0.198 13.524 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.853 0.515 12.452 1.00 0.00 H new ATOM 0 H4' DA B 5 -8.157 2.273 12.365 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.470 1.295 10.108 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.674 -0.295 9.556 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.318 1.094 8.548 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.783 2.032 10.151 1.00 0.00 H new ATOM 0 H8 DA B 5 -6.033 -1.786 9.797 1.00 0.00 H new ATOM 0 H61 DA B 5 0.198 -1.512 10.074 1.00 0.00 H new ATOM 0 H62 DA B 5 -1.181 -2.604 9.907 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.432 2.610 10.551 1.00 0.00 H new ATOM 409 P DG B 6 -9.098 3.636 8.828 1.00 0.00 P ATOM 410 OP1 DG B 6 -10.555 3.578 9.084 1.00 0.00 O ATOM 411 OP2 DG B 6 -8.553 3.076 7.574 1.00 0.00 O ATOM 412 O5' DG B 6 -8.629 5.170 8.972 1.00 0.00 O ATOM 413 C5' DG B 6 -7.371 5.552 9.507 1.00 0.00 C ATOM 414 C4' DG B 6 -6.138 5.295 8.622 1.00 0.00 C ATOM 415 O4' DG B 6 -5.409 4.086 8.855 1.00 0.00 O ATOM 416 C3' DG B 6 -6.373 5.383 7.107 1.00 0.00 C ATOM 417 O3' DG B 6 -5.938 6.638 6.615 1.00 0.00 O ATOM 418 C2' DG B 6 -5.605 4.167 6.612 1.00 0.00 C ATOM 419 C1' DG B 6 -4.600 3.878 7.702 1.00 0.00 C ATOM 420 N9 DG B 6 -3.984 2.541 7.497 1.00 0.00 N ATOM 421 C8 DG B 6 -4.570 1.335 7.186 1.00 0.00 C ATOM 422 N7 DG B 6 -3.731 0.359 6.994 1.00 0.00 N ATOM 423 C5 DG B 6 -2.491 0.961 7.140 1.00 0.00 C ATOM 424 C6 DG B 6 -1.188 0.400 7.012 1.00 0.00 C ATOM 425 O6 DG B 6 -0.895 -0.780 6.852 1.00 0.00 O ATOM 426 N1 DG B 6 -0.186 1.362 7.088 1.00 0.00 N ATOM 427 C2 DG B 6 -0.407 2.708 7.297 1.00 0.00 C ATOM 428 N2 DG B 6 0.663 3.510 7.297 1.00 0.00 N ATOM 429 N3 DG B 6 -1.632 3.229 7.467 1.00 0.00 N ATOM 430 C4 DG B 6 -2.631 2.307 7.376 1.00 0.00 C ATOM 0 H5' DG B 6 -7.228 5.026 10.451 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.408 6.617 9.738 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.535 6.138 8.960 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.409 5.352 6.770 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.269 3.318 6.451 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.111 4.370 5.662 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.702 4.494 7.756 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.640 1.209 7.108 1.00 0.00 H new ATOM 0 H1 DG B 6 0.780 1.051 6.982 1.00 0.00 H new ATOM 0 H21 DG B 6 0.549 4.512 7.447 1.00 0.00 H new ATOM 0 H22 DG B 6 1.593 3.119 7.147 1.00 0.00 H new ATOM 442 P DC B 7 -5.848 6.988 5.039 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.116 8.433 4.868 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.627 5.995 4.265 1.00 0.00 O ATOM 445 O5' DC B 7 -4.277 6.730 4.776 1.00 0.00 O ATOM 446 C5' DC B 7 -3.322 7.358 5.607 1.00 0.00 C ATOM 447 C4' DC B 7 -1.883 7.214 5.115 1.00 0.00 C ATOM 448 O4' DC B 7 -1.418 5.893 5.320 1.00 0.00 O ATOM 449 C3' DC B 7 -1.710 7.618 3.655 1.00 0.00 C ATOM 450 O3' DC B 7 -0.574 8.461 3.541 1.00 0.00 O ATOM 451 C2' DC B 7 -1.549 6.252 3.034 1.00 0.00 C ATOM 452 C1' DC B 7 -0.875 5.410 4.113 1.00 0.00 C ATOM 453 N1 DC B 7 -1.245 3.977 3.975 1.00 0.00 N ATOM 454 C2 DC B 7 -0.270 2.980 3.867 1.00 0.00 C ATOM 455 O2 DC B 7 0.927 3.253 3.804 1.00 0.00 O ATOM 456 N3 DC B 7 -0.680 1.676 3.833 1.00 0.00 N ATOM 457 C4 DC B 7 -1.984 1.355 3.903 1.00 0.00 C ATOM 458 N4 DC B 7 -2.344 0.069 3.896 1.00 0.00 N ATOM 459 C5 DC B 7 -2.992 2.364 4.032 1.00 0.00 C ATOM 460 C6 DC B 7 -2.570 3.642 4.065 1.00 0.00 C ATOM 0 H5' DC B 7 -3.396 6.939 6.610 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.564 8.418 5.686 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.281 7.905 5.705 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.507 8.196 3.187 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.513 5.831 2.749 1.00 0.00 H new ATOM 0 H2'' DC B 7 -0.941 6.297 2.130 1.00 0.00 H new ATOM 0 H1' DC B 7 0.211 5.480 4.056 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.331 -0.185 3.949 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.632 -0.659 3.838 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.040 2.112 4.100 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.301 4.430 4.166 1.00 0.00 H new ATOM 472 P DG B 8 -0.127 9.144 2.147 1.00 0.00 P ATOM 473 OP1 DG B 8 0.814 10.245 2.451 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.336 9.411 1.337 1.00 0.00 O ATOM 475 O5' DG B 8 0.701 7.959 1.440 1.00 0.00 O ATOM 476 C5' DG B 8 1.889 7.451 2.013 1.00 0.00 C ATOM 477 C4' DG B 8 2.442 6.297 1.173 1.00 0.00 C ATOM 478 O4' DG B 8 1.706 5.120 1.458 1.00 0.00 O ATOM 479 C3' DG B 8 2.369 6.531 -0.347 1.00 0.00 C ATOM 480 O3' DG B 8 3.591 6.189 -0.971 1.00 0.00 O ATOM 481 C2' DG B 8 1.277 5.553 -0.769 1.00 0.00 C ATOM 482 C1' DG B 8 1.520 4.439 0.239 1.00 0.00 C ATOM 483 N9 DG B 8 0.425 3.450 0.334 1.00 0.00 N ATOM 484 C8 DG B 8 -0.935 3.641 0.324 1.00 0.00 C ATOM 485 N7 DG B 8 -1.624 2.547 0.502 1.00 0.00 N ATOM 486 C5 DG B 8 -0.657 1.554 0.630 1.00 0.00 C ATOM 487 C6 DG B 8 -0.791 0.145 0.842 1.00 0.00 C ATOM 488 O6 DG B 8 -1.823 -0.508 0.974 1.00 0.00 O ATOM 489 N1 DG B 8 0.440 -0.506 0.897 1.00 0.00 N ATOM 490 C2 DG B 8 1.662 0.124 0.752 1.00 0.00 C ATOM 491 N2 DG B 8 2.757 -0.641 0.797 1.00 0.00 N ATOM 492 N3 DG B 8 1.790 1.445 0.571 1.00 0.00 N ATOM 493 C4 DG B 8 0.599 2.100 0.520 1.00 0.00 C ATOM 0 H5' DG B 8 1.691 7.107 3.028 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.633 8.245 2.085 1.00 0.00 H new ATOM 0 H4' DG B 8 3.495 6.212 1.442 1.00 0.00 H new ATOM 0 H3' DG B 8 2.173 7.569 -0.617 1.00 0.00 H new ATOM 0 H2' DG B 8 0.278 5.981 -0.685 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.394 5.216 -1.799 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.520 6.344 -1.936 1.00 0.00 H new ATOM 0 H1' DG B 8 2.374 3.831 -0.058 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.393 4.609 0.182 1.00 0.00 H new ATOM 0 H1 DG B 8 0.439 -1.514 1.055 1.00 0.00 H new ATOM 0 H21 DG B 8 3.679 -0.218 0.694 1.00 0.00 H new ATOM 0 H22 DG B 8 2.670 -1.648 0.934 1.00 0.00 H new TER 506 DG B 8