USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 186 hydrogens (13 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 DG O5' : rot 29:sc= 0.0779 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.801 (180deg=-2.18!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 30:sc= 0.0638 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.419 (180deg=-1.03) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.737 (180deg=-2.33!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.000 -8.545 -1.560 1.00 0.00 O ATOM 2 C5' DG A 1 2.329 -8.988 -1.748 1.00 0.00 C ATOM 3 C4' DG A 1 3.312 -8.061 -1.022 1.00 0.00 C ATOM 4 O4' DG A 1 3.025 -6.704 -1.361 1.00 0.00 O ATOM 5 C3' DG A 1 3.258 -8.192 0.506 1.00 0.00 C ATOM 6 O3' DG A 1 4.581 -8.358 0.989 1.00 0.00 O ATOM 7 C2' DG A 1 2.637 -6.878 0.915 1.00 0.00 C ATOM 8 C1' DG A 1 3.096 -5.927 -0.175 1.00 0.00 C ATOM 9 N9 DG A 1 2.214 -4.742 -0.243 1.00 0.00 N ATOM 10 C8 DG A 1 0.850 -4.704 -0.374 1.00 0.00 C ATOM 11 N7 DG A 1 0.345 -3.504 -0.433 1.00 0.00 N ATOM 12 C5 DG A 1 1.456 -2.672 -0.266 1.00 0.00 C ATOM 13 C6 DG A 1 1.573 -1.241 -0.216 1.00 0.00 C ATOM 14 O6 DG A 1 0.711 -0.376 -0.368 1.00 0.00 O ATOM 15 N1 DG A 1 2.866 -0.813 0.025 1.00 0.00 N ATOM 16 C2 DG A 1 3.931 -1.646 0.186 1.00 0.00 C ATOM 17 N2 DG A 1 5.092 -1.094 0.445 1.00 0.00 N ATOM 18 N3 DG A 1 3.867 -2.975 0.119 1.00 0.00 N ATOM 19 C4 DG A 1 2.600 -3.430 -0.112 1.00 0.00 C ATOM 0 H5' DG A 1 2.563 -9.014 -2.812 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.436 -10.006 -1.373 1.00 0.00 H new ATOM 0 H4' DG A 1 4.310 -8.357 -1.346 1.00 0.00 H new ATOM 0 H3' DG A 1 2.695 -9.040 0.895 1.00 0.00 H new ATOM 0 H2' DG A 1 1.550 -6.943 0.962 1.00 0.00 H new ATOM 0 H2'' DG A 1 2.980 -6.559 1.899 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.994 -7.573 -1.436 1.00 0.00 H new ATOM 0 H1' DG A 1 4.098 -5.534 -0.003 1.00 0.00 H new ATOM 0 H8 DG A 1 0.243 -5.596 -0.424 1.00 0.00 H new ATOM 0 H1 DG A 1 3.032 0.191 0.086 1.00 0.00 H new ATOM 0 H21 DG A 1 5.918 -1.679 0.573 1.00 0.00 H new ATOM 0 H22 DG A 1 5.169 -0.080 0.518 1.00 0.00 H new ATOM 32 P DT A 2 4.916 -8.605 2.549 1.00 0.00 P ATOM 33 OP1 DT A 2 5.937 -9.670 2.631 1.00 0.00 O ATOM 34 OP2 DT A 2 3.642 -8.730 3.290 1.00 0.00 O ATOM 35 O5' DT A 2 5.597 -7.204 2.953 1.00 0.00 O ATOM 36 C5' DT A 2 6.842 -6.819 2.389 1.00 0.00 C ATOM 37 C4' DT A 2 7.390 -5.514 2.982 1.00 0.00 C ATOM 38 O4' DT A 2 6.510 -4.439 2.683 1.00 0.00 O ATOM 39 C3' DT A 2 7.584 -5.569 4.501 1.00 0.00 C ATOM 40 O3' DT A 2 8.786 -4.890 4.831 1.00 0.00 O ATOM 41 C2' DT A 2 6.342 -4.855 5.007 1.00 0.00 C ATOM 42 C1' DT A 2 6.092 -3.834 3.896 1.00 0.00 C ATOM 43 N1 DT A 2 4.673 -3.401 3.762 1.00 0.00 N ATOM 44 C2 DT A 2 4.416 -2.029 3.650 1.00 0.00 C ATOM 45 O2 DT A 2 5.282 -1.163 3.723 1.00 0.00 O ATOM 46 N3 DT A 2 3.107 -1.662 3.431 1.00 0.00 N ATOM 47 C4 DT A 2 2.036 -2.522 3.312 1.00 0.00 C ATOM 48 O4 DT A 2 0.933 -2.053 3.055 1.00 0.00 O ATOM 49 C5 DT A 2 2.360 -3.936 3.492 1.00 0.00 C ATOM 50 C7 DT A 2 1.262 -4.988 3.439 1.00 0.00 C ATOM 51 C6 DT A 2 3.646 -4.322 3.697 1.00 0.00 C ATOM 0 H5' DT A 2 6.726 -6.702 1.312 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.568 -7.616 2.546 1.00 0.00 H new ATOM 0 H4' DT A 2 8.369 -5.364 2.527 1.00 0.00 H new ATOM 0 H3' DT A 2 7.682 -6.565 4.932 1.00 0.00 H new ATOM 0 H2' DT A 2 5.501 -5.537 5.132 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.510 -4.376 5.972 1.00 0.00 H new ATOM 0 H1' DT A 2 6.649 -2.930 4.142 1.00 0.00 H new ATOM 0 H3 DT A 2 2.912 -0.664 3.349 1.00 0.00 H new ATOM 0 H71 DT A 2 0.325 -4.554 3.788 1.00 0.00 H new ATOM 0 H72 DT A 2 1.141 -5.336 2.413 1.00 0.00 H new ATOM 0 H73 DT A 2 1.532 -5.829 4.078 1.00 0.00 H new ATOM 0 H6 DT A 2 3.870 -5.372 3.812 1.00 0.00 H new ATOM 64 P DA A 3 9.384 -4.880 6.331 1.00 0.00 P ATOM 65 OP1 DA A 3 10.849 -4.709 6.235 1.00 0.00 O ATOM 66 OP2 DA A 3 8.817 -6.032 7.066 1.00 0.00 O ATOM 67 O5' DA A 3 8.750 -3.526 6.936 1.00 0.00 O ATOM 68 C5' DA A 3 9.221 -2.261 6.503 1.00 0.00 C ATOM 69 C4' DA A 3 8.543 -1.087 7.220 1.00 0.00 C ATOM 70 O4' DA A 3 7.220 -0.917 6.730 1.00 0.00 O ATOM 71 C3' DA A 3 8.472 -1.234 8.748 1.00 0.00 C ATOM 72 O3' DA A 3 8.990 -0.034 9.301 1.00 0.00 O ATOM 73 C2' DA A 3 6.972 -1.407 8.988 1.00 0.00 C ATOM 74 C1' DA A 3 6.367 -0.629 7.820 1.00 0.00 C ATOM 75 N9 DA A 3 4.988 -1.037 7.462 1.00 0.00 N ATOM 76 C8 DA A 3 4.470 -2.303 7.332 1.00 0.00 C ATOM 77 N7 DA A 3 3.238 -2.344 6.900 1.00 0.00 N ATOM 78 C5 DA A 3 2.902 -0.989 6.780 1.00 0.00 C ATOM 79 C6 DA A 3 1.738 -0.289 6.388 1.00 0.00 C ATOM 80 N6 DA A 3 0.629 -0.880 5.976 1.00 0.00 N ATOM 81 N1 DA A 3 1.700 1.049 6.420 1.00 0.00 N ATOM 82 C2 DA A 3 2.801 1.691 6.804 1.00 0.00 C ATOM 83 N3 DA A 3 3.973 1.170 7.157 1.00 0.00 N ATOM 84 C4 DA A 3 3.957 -0.190 7.130 1.00 0.00 C ATOM 0 H5' DA A 3 9.056 -2.167 5.430 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.297 -2.206 6.666 1.00 0.00 H new ATOM 0 H4' DA A 3 9.169 -0.220 7.007 1.00 0.00 H new ATOM 0 H3' DA A 3 9.037 -2.054 9.191 1.00 0.00 H new ATOM 0 H2' DA A 3 6.676 -2.456 8.976 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.664 -1.000 9.951 1.00 0.00 H new ATOM 0 H1' DA A 3 6.294 0.426 8.085 1.00 0.00 H new ATOM 0 H8 DA A 3 5.036 -3.192 7.568 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.178 -0.318 5.706 1.00 0.00 H new ATOM 0 H62 DA A 3 0.581 -1.898 5.928 1.00 0.00 H new ATOM 0 H2 DA A 3 2.735 2.769 6.833 1.00 0.00 H new ATOM 96 P DC A 4 9.148 0.219 10.889 1.00 0.00 P ATOM 97 OP1 DC A 4 10.469 0.841 11.128 1.00 0.00 O ATOM 98 OP2 DC A 4 8.751 -1.003 11.620 1.00 0.00 O ATOM 99 O5' DC A 4 8.013 1.337 11.097 1.00 0.00 O ATOM 100 C5' DC A 4 8.116 2.585 10.428 1.00 0.00 C ATOM 101 C4' DC A 4 6.812 3.382 10.502 1.00 0.00 C ATOM 102 O4' DC A 4 5.755 2.586 9.987 1.00 0.00 O ATOM 103 C3' DC A 4 6.444 3.830 11.922 1.00 0.00 C ATOM 104 O3' DC A 4 6.118 5.213 11.891 1.00 0.00 O ATOM 105 C2' DC A 4 5.231 2.970 12.245 1.00 0.00 C ATOM 106 C1' DC A 4 4.651 2.710 10.854 1.00 0.00 C ATOM 107 N1 DC A 4 3.788 1.500 10.733 1.00 0.00 N ATOM 108 C2 DC A 4 2.581 1.626 10.045 1.00 0.00 C ATOM 109 O2 DC A 4 2.168 2.716 9.658 1.00 0.00 O ATOM 110 N3 DC A 4 1.815 0.534 9.800 1.00 0.00 N ATOM 111 C4 DC A 4 2.183 -0.637 10.279 1.00 0.00 C ATOM 112 N4 DC A 4 1.433 -1.657 9.949 1.00 0.00 N ATOM 113 C5 DC A 4 3.336 -0.802 11.099 1.00 0.00 C ATOM 114 C6 DC A 4 4.139 0.281 11.266 1.00 0.00 C ATOM 0 H5' DC A 4 8.380 2.416 9.384 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.924 3.168 10.870 1.00 0.00 H new ATOM 0 H4' DC A 4 6.963 4.286 9.912 1.00 0.00 H new ATOM 0 H3' DC A 4 7.236 3.713 12.662 1.00 0.00 H new ATOM 0 H2' DC A 4 5.509 2.046 12.751 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.524 3.488 12.893 1.00 0.00 H new ATOM 0 H1' DC A 4 3.987 3.540 10.612 1.00 0.00 H new ATOM 0 H41 DC A 4 1.664 -2.591 10.288 1.00 0.00 H new ATOM 0 H42 DC A 4 0.617 -1.518 9.353 1.00 0.00 H new ATOM 0 H5 DC A 4 3.562 -1.748 11.568 1.00 0.00 H new ATOM 0 H6 DC A 4 5.060 0.184 11.821 1.00 0.00 H new HETATM 126 P NCX A 5 6.073 6.112 13.232 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.223 7.529 12.833 1.00 0.00 O HETATM 128 OP2 NCX A 5 7.008 5.524 14.216 1.00 0.00 O HETATM 129 O5' NCX A 5 4.570 5.900 13.779 1.00 0.00 O HETATM 130 C5' NCX A 5 3.468 6.582 13.200 1.00 0.00 C HETATM 131 C4' NCX A 5 2.168 6.391 13.998 1.00 0.00 C HETATM 132 O4' NCX A 5 1.557 5.143 13.688 1.00 0.00 O HETATM 133 C1' NCX A 5 1.238 4.489 14.904 1.00 0.00 C HETATM 134 N9 NCX A 5 1.186 3.027 14.684 1.00 0.00 N HETATM 135 C8 NCX A 5 2.182 2.078 14.922 1.00 0.00 C HETATM 136 C7 NCX A 5 1.685 0.809 14.674 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.507 -0.415 14.738 1.00 0.00 C HETATM 138 O7 NCX A 5 3.636 -0.492 15.159 1.00 0.00 O HETATM 139 NH7 NCX A 5 1.975 -1.530 14.237 1.00 0.00 N HETATM 140 C5 NCX A 5 0.295 1.001 14.435 1.00 0.00 C HETATM 141 C4 NCX A 5 0.054 2.341 14.399 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.226 2.844 14.175 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.288 1.938 14.149 1.00 0.00 C HETATM 144 C1 NCX A 5 -2.063 0.558 14.316 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.209 -0.387 14.459 1.00 0.00 N HETATM 146 O11 NCX A 5 -4.332 0.083 14.529 1.00 0.00 O HETATM 147 O12 NCX A 5 -2.946 -1.579 14.470 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.743 0.085 14.393 1.00 0.00 C HETATM 149 C3' NCX A 5 2.372 6.443 15.519 1.00 0.00 C HETATM 150 C2' NCX A 5 2.301 4.967 15.891 1.00 0.00 C HETATM 151 O3' NCX A 5 1.292 7.175 16.072 1.00 0.00 O HETATM 0 HH72 NCX A 5 2.504 -2.402 14.258 1.00 0.00 H new HETATM 0 HH71 NCX A 5 1.039 -1.511 13.833 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.697 7.646 13.135 1.00 0.00 H new HETATM 0 H2'' NCX A 5 2.004 4.814 16.928 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.196 2.302 15.253 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.539 -0.985 14.419 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.320 6.225 12.181 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.531 7.225 13.704 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.290 6.917 15.866 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.393 3.911 14.025 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.255 4.457 15.754 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.304 2.303 13.998 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.253 4.727 15.305 1.00 0.00 H new ATOM 165 P DA A 6 1.325 7.804 17.554 1.00 0.00 P ATOM 166 OP1 DA A 6 1.607 9.252 17.452 1.00 0.00 O ATOM 167 OP2 DA A 6 2.129 6.937 18.439 1.00 0.00 O ATOM 168 O5' DA A 6 -0.213 7.603 17.959 1.00 0.00 O ATOM 169 C5' DA A 6 -1.254 8.217 17.220 1.00 0.00 C ATOM 170 C4' DA A 6 -2.613 7.589 17.547 1.00 0.00 C ATOM 171 O4' DA A 6 -2.602 6.213 17.180 1.00 0.00 O ATOM 172 C3' DA A 6 -2.995 7.694 19.024 1.00 0.00 C ATOM 173 O3' DA A 6 -4.395 7.917 19.099 1.00 0.00 O ATOM 174 C2' DA A 6 -2.544 6.339 19.556 1.00 0.00 C ATOM 175 C1' DA A 6 -2.682 5.409 18.345 1.00 0.00 C ATOM 176 N9 DA A 6 -1.651 4.337 18.298 1.00 0.00 N ATOM 177 C8 DA A 6 -0.306 4.394 18.593 1.00 0.00 C ATOM 178 N7 DA A 6 0.308 3.241 18.535 1.00 0.00 N ATOM 179 C5 DA A 6 -0.702 2.359 18.147 1.00 0.00 C ATOM 180 C6 DA A 6 -0.755 0.969 17.891 1.00 0.00 C ATOM 181 N6 DA A 6 0.286 0.157 17.998 1.00 0.00 N ATOM 182 N1 DA A 6 -1.899 0.394 17.497 1.00 0.00 N ATOM 183 C2 DA A 6 -2.974 1.170 17.367 1.00 0.00 C ATOM 184 N3 DA A 6 -3.073 2.476 17.588 1.00 0.00 N ATOM 185 C4 DA A 6 -1.890 3.020 17.981 1.00 0.00 C ATOM 0 H5' DA A 6 -1.053 8.119 16.153 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.281 9.284 17.442 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.354 8.150 16.978 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.548 8.507 19.596 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.517 6.373 19.920 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.166 6.008 20.388 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.639 4.892 18.417 1.00 0.00 H new ATOM 0 H8 DA A 6 0.198 5.314 18.850 1.00 0.00 H new ATOM 0 H61 DA A 6 0.180 -0.838 17.798 1.00 0.00 H new ATOM 0 H62 DA A 6 1.194 0.526 18.280 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.877 0.676 17.041 1.00 0.00 H new ATOM 197 P DC A 7 -5.193 8.047 20.497 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.362 8.929 20.289 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.221 8.337 21.574 1.00 0.00 O ATOM 200 O5' DC A 7 -5.721 6.539 20.678 1.00 0.00 O ATOM 201 C5' DC A 7 -6.657 5.989 19.765 1.00 0.00 C ATOM 202 C4' DC A 7 -6.892 4.493 19.999 1.00 0.00 C ATOM 203 O4' DC A 7 -5.684 3.771 19.762 1.00 0.00 O ATOM 204 C3' DC A 7 -7.368 4.144 21.419 1.00 0.00 C ATOM 205 O3' DC A 7 -8.363 3.137 21.313 1.00 0.00 O ATOM 206 C2' DC A 7 -6.070 3.659 22.033 1.00 0.00 C ATOM 207 C1' DC A 7 -5.507 2.877 20.845 1.00 0.00 C ATOM 208 N1 DC A 7 -4.083 2.473 21.000 1.00 0.00 N ATOM 209 C2 DC A 7 -3.719 1.151 20.715 1.00 0.00 C ATOM 210 O2 DC A 7 -4.532 0.329 20.298 1.00 0.00 O ATOM 211 N3 DC A 7 -2.441 0.736 20.913 1.00 0.00 N ATOM 212 C4 DC A 7 -1.554 1.585 21.398 1.00 0.00 C ATOM 213 N4 DC A 7 -0.332 1.137 21.542 1.00 0.00 N ATOM 214 C5 DC A 7 -1.874 2.938 21.715 1.00 0.00 C ATOM 215 C6 DC A 7 -3.146 3.346 21.493 1.00 0.00 C ATOM 0 H5' DC A 7 -6.300 6.143 18.747 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.604 6.521 19.855 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.685 4.214 19.305 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.829 4.939 22.006 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.420 4.478 22.341 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.230 3.032 22.910 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.016 1.921 20.718 1.00 0.00 H new ATOM 0 H41 DC A 7 0.395 1.749 21.912 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.107 0.176 21.284 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.131 3.611 22.116 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.425 4.367 21.706 1.00 0.00 H new ATOM 227 P DG A 8 -9.205 2.590 22.574 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.646 2.753 22.288 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.627 3.120 23.827 1.00 0.00 O ATOM 230 O5' DG A 8 -8.850 1.028 22.489 1.00 0.00 O ATOM 231 C5' DG A 8 -9.249 0.256 21.366 1.00 0.00 C ATOM 232 C4' DG A 8 -8.984 -1.240 21.572 1.00 0.00 C ATOM 233 O4' DG A 8 -7.586 -1.473 21.554 1.00 0.00 O ATOM 234 C3' DG A 8 -9.538 -1.763 22.908 1.00 0.00 C ATOM 235 O3' DG A 8 -9.999 -3.102 22.805 1.00 0.00 O ATOM 236 C2' DG A 8 -8.314 -1.716 23.811 1.00 0.00 C ATOM 237 C1' DG A 8 -7.180 -1.968 22.817 1.00 0.00 C ATOM 238 N9 DG A 8 -5.913 -1.330 23.227 1.00 0.00 N ATOM 239 C8 DG A 8 -5.635 -0.005 23.449 1.00 0.00 C ATOM 240 N7 DG A 8 -4.393 0.230 23.781 1.00 0.00 N ATOM 241 C5 DG A 8 -3.805 -1.040 23.791 1.00 0.00 C ATOM 242 C6 DG A 8 -2.463 -1.478 24.073 1.00 0.00 C ATOM 243 O6 DG A 8 -1.458 -0.825 24.349 1.00 0.00 O ATOM 244 N1 DG A 8 -2.318 -2.854 24.020 1.00 0.00 N ATOM 245 C2 DG A 8 -3.322 -3.721 23.716 1.00 0.00 C ATOM 246 N2 DG A 8 -3.029 -5.000 23.686 1.00 0.00 N ATOM 247 N3 DG A 8 -4.572 -3.355 23.442 1.00 0.00 N ATOM 248 C4 DG A 8 -4.747 -2.000 23.489 1.00 0.00 C ATOM 0 H5' DG A 8 -8.714 0.600 20.481 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.311 0.413 21.177 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.491 -1.768 20.764 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.390 -1.182 23.261 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.212 -0.753 24.311 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.351 -2.478 24.590 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.341 -3.398 23.674 1.00 0.00 H new ATOM 0 H1' DG A 8 -6.987 -3.040 22.776 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.377 0.775 23.358 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.397 -3.244 24.222 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.752 -5.684 23.462 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.078 -5.310 23.886 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.930 -8.008 25.781 1.00 0.00 O ATOM 263 C5' DC B 9 3.992 -9.018 26.096 1.00 0.00 C ATOM 264 C4' DC B 9 2.721 -8.849 25.255 1.00 0.00 C ATOM 265 O4' DC B 9 2.261 -7.503 25.357 1.00 0.00 O ATOM 266 C3' DC B 9 2.911 -9.147 23.759 1.00 0.00 C ATOM 267 O3' DC B 9 1.792 -9.921 23.356 1.00 0.00 O ATOM 268 C2' DC B 9 2.914 -7.748 23.151 1.00 0.00 C ATOM 269 C1' DC B 9 1.881 -7.084 24.058 1.00 0.00 C ATOM 270 N1 DC B 9 1.786 -5.594 24.006 1.00 0.00 N ATOM 271 C2 DC B 9 0.523 -5.022 24.201 1.00 0.00 C ATOM 272 O2 DC B 9 -0.486 -5.714 24.343 1.00 0.00 O ATOM 273 N3 DC B 9 0.371 -3.676 24.234 1.00 0.00 N ATOM 274 C4 DC B 9 1.422 -2.903 24.026 1.00 0.00 C ATOM 275 N4 DC B 9 1.203 -1.611 24.060 1.00 0.00 N ATOM 276 C5 DC B 9 2.734 -3.423 23.813 1.00 0.00 C ATOM 277 C6 DC B 9 2.878 -4.774 23.811 1.00 0.00 C ATOM 0 H5' DC B 9 3.743 -8.974 27.156 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.429 -9.999 25.912 1.00 0.00 H new ATOM 0 H4' DC B 9 2.009 -9.572 25.654 1.00 0.00 H new ATOM 0 H3' DC B 9 3.805 -9.702 23.474 1.00 0.00 H new ATOM 0 H2' DC B 9 3.891 -7.268 23.206 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.616 -7.745 22.103 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.456 -7.200 25.493 1.00 0.00 H new ATOM 0 H1' DC B 9 0.885 -7.385 23.733 1.00 0.00 H new ATOM 0 H41 DC B 9 1.972 -0.959 23.907 1.00 0.00 H new ATOM 0 H42 DC B 9 0.263 -1.258 24.239 1.00 0.00 H new ATOM 0 H5 DC B 9 3.579 -2.768 23.659 1.00 0.00 H new ATOM 0 H6 DC B 9 3.854 -5.209 23.656 1.00 0.00 H new ATOM 290 P DG B 10 1.629 -10.520 21.869 1.00 0.00 P ATOM 291 OP1 DG B 10 1.276 -11.951 21.996 1.00 0.00 O ATOM 292 OP2 DG B 10 2.797 -10.110 21.062 1.00 0.00 O ATOM 293 O5' DG B 10 0.332 -9.709 21.354 1.00 0.00 O ATOM 294 C5' DG B 10 -0.957 -9.994 21.880 1.00 0.00 C ATOM 295 C4' DG B 10 -2.096 -9.292 21.126 1.00 0.00 C ATOM 296 O4' DG B 10 -2.109 -7.916 21.481 1.00 0.00 O ATOM 297 C3' DG B 10 -1.994 -9.402 19.599 1.00 0.00 C ATOM 298 O3' DG B 10 -3.290 -9.569 19.038 1.00 0.00 O ATOM 299 C2' DG B 10 -1.393 -8.055 19.245 1.00 0.00 C ATOM 300 C1' DG B 10 -2.022 -7.146 20.300 1.00 0.00 C ATOM 301 N9 DG B 10 -1.203 -5.946 20.555 1.00 0.00 N ATOM 302 C8 DG B 10 0.142 -5.877 20.806 1.00 0.00 C ATOM 303 N7 DG B 10 0.596 -4.664 20.967 1.00 0.00 N ATOM 304 C5 DG B 10 -0.540 -3.862 20.806 1.00 0.00 C ATOM 305 C6 DG B 10 -0.720 -2.437 20.855 1.00 0.00 C ATOM 306 O6 DG B 10 0.104 -1.546 21.058 1.00 0.00 O ATOM 307 N1 DG B 10 -2.030 -2.046 20.644 1.00 0.00 N ATOM 308 C2 DG B 10 -3.057 -2.905 20.402 1.00 0.00 C ATOM 309 N2 DG B 10 -4.243 -2.385 20.205 1.00 0.00 N ATOM 310 N3 DG B 10 -2.926 -4.229 20.327 1.00 0.00 N ATOM 311 C4 DG B 10 -1.645 -4.647 20.549 1.00 0.00 C ATOM 0 H5' DG B 10 -0.987 -9.695 22.928 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.122 -11.071 21.851 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.016 -9.798 21.419 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.411 -10.246 19.231 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.305 -8.063 19.308 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.651 -7.746 18.232 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.995 -6.795 19.957 1.00 0.00 H new ATOM 0 H8 DG B 10 0.773 -6.752 20.866 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.240 -1.048 20.672 1.00 0.00 H new ATOM 0 H21 DG B 10 -5.042 -2.992 20.020 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.368 -1.373 20.236 1.00 0.00 H new ATOM 323 P DT B 11 -3.520 -9.840 17.458 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.550 -10.893 17.326 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.199 -10.011 16.816 1.00 0.00 O ATOM 326 O5' DT B 11 -4.147 -8.444 16.933 1.00 0.00 O ATOM 327 C5' DT B 11 -5.512 -8.131 17.175 1.00 0.00 C ATOM 328 C4' DT B 11 -5.942 -6.796 16.552 1.00 0.00 C ATOM 329 O4' DT B 11 -5.255 -5.765 17.245 1.00 0.00 O ATOM 330 C3' DT B 11 -5.710 -6.691 15.048 1.00 0.00 C ATOM 331 O3' DT B 11 -6.935 -6.308 14.436 1.00 0.00 O ATOM 332 C2' DT B 11 -4.721 -5.550 14.969 1.00 0.00 C ATOM 333 C1' DT B 11 -4.770 -4.831 16.313 1.00 0.00 C ATOM 334 N1 DT B 11 -3.448 -4.309 16.744 1.00 0.00 N ATOM 335 C2 DT B 11 -3.360 -2.952 17.061 1.00 0.00 C ATOM 336 O2 DT B 11 -4.328 -2.198 17.116 1.00 0.00 O ATOM 337 N3 DT B 11 -2.098 -2.462 17.314 1.00 0.00 N ATOM 338 C4 DT B 11 -0.931 -3.195 17.320 1.00 0.00 C ATOM 339 O4 DT B 11 0.121 -2.604 17.551 1.00 0.00 O ATOM 340 C5 DT B 11 -1.099 -4.626 17.053 1.00 0.00 C ATOM 341 C7 DT B 11 0.097 -5.569 17.082 1.00 0.00 C ATOM 342 C6 DT B 11 -2.335 -5.124 16.775 1.00 0.00 C ATOM 0 H5' DT B 11 -5.686 -8.096 18.251 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.138 -8.930 16.777 1.00 0.00 H new ATOM 0 H4' DT B 11 -7.023 -6.708 16.660 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.366 -7.606 14.566 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.717 -5.922 14.766 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.979 -4.870 14.157 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.414 -3.955 16.233 1.00 0.00 H new ATOM 0 H3 DT B 11 -2.020 -1.465 17.515 1.00 0.00 H new ATOM 0 H71 DT B 11 0.995 -5.027 16.787 1.00 0.00 H new ATOM 0 H72 DT B 11 0.226 -5.963 18.090 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.073 -6.393 16.389 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.447 -6.179 16.574 1.00 0.00 H new ATOM 355 P DT B 12 -7.171 -6.364 12.838 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.585 -6.724 12.599 1.00 0.00 O ATOM 357 OP2 DT B 12 -6.086 -7.163 12.228 1.00 0.00 O ATOM 358 O5' DT B 12 -6.963 -4.830 12.403 1.00 0.00 O ATOM 359 C5' DT B 12 -7.822 -3.809 12.889 1.00 0.00 C ATOM 360 C4' DT B 12 -7.464 -2.437 12.303 1.00 0.00 C ATOM 361 O4' DT B 12 -6.114 -2.132 12.638 1.00 0.00 O ATOM 362 C3' DT B 12 -7.608 -2.371 10.772 1.00 0.00 C ATOM 363 O3' DT B 12 -8.156 -1.111 10.396 1.00 0.00 O ATOM 364 C2' DT B 12 -6.153 -2.498 10.343 1.00 0.00 C ATOM 365 C1' DT B 12 -5.468 -1.707 11.455 1.00 0.00 C ATOM 366 N1 DT B 12 -4.000 -1.925 11.519 1.00 0.00 N ATOM 367 C2 DT B 12 -3.180 -0.793 11.450 1.00 0.00 C ATOM 368 O2 DT B 12 -3.594 0.353 11.323 1.00 0.00 O ATOM 369 N3 DT B 12 -1.828 -0.983 11.617 1.00 0.00 N ATOM 370 C4 DT B 12 -1.232 -2.171 11.967 1.00 0.00 C ATOM 371 O4 DT B 12 -0.056 -2.161 12.334 1.00 0.00 O ATOM 372 C5 DT B 12 -2.118 -3.328 11.918 1.00 0.00 C ATOM 373 C7 DT B 12 -1.516 -4.696 12.133 1.00 0.00 C ATOM 374 C6 DT B 12 -3.457 -3.184 11.709 1.00 0.00 C ATOM 0 H5' DT B 12 -7.759 -3.768 13.976 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.854 -4.053 12.639 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.164 -1.718 12.729 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.264 -3.120 10.329 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.820 -3.535 10.306 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.972 -2.070 9.357 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.560 -0.634 11.286 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.219 -0.178 11.469 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.258 -5.352 12.588 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.204 -5.111 11.175 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.651 -4.614 12.792 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.096 -4.054 11.692 1.00 0.00 H new ATOM 387 P DG B 13 -8.806 -0.849 8.933 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.273 -0.746 9.091 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.230 -1.819 7.980 1.00 0.00 O ATOM 390 O5' DG B 13 -8.233 0.604 8.532 1.00 0.00 O ATOM 391 C5' DG B 13 -8.702 1.786 9.162 1.00 0.00 C ATOM 392 C4' DG B 13 -7.755 2.980 8.949 1.00 0.00 C ATOM 393 O4' DG B 13 -6.471 2.613 9.444 1.00 0.00 O ATOM 394 C3' DG B 13 -7.589 3.466 7.499 1.00 0.00 C ATOM 395 O3' DG B 13 -7.414 4.880 7.485 1.00 0.00 O ATOM 396 C2' DG B 13 -6.350 2.716 7.086 1.00 0.00 C ATOM 397 C1' DG B 13 -5.544 2.616 8.373 1.00 0.00 C ATOM 398 N9 DG B 13 -4.705 1.400 8.333 1.00 0.00 N ATOM 399 C8 DG B 13 -5.038 0.105 8.017 1.00 0.00 C ATOM 400 N7 DG B 13 -4.026 -0.723 8.017 1.00 0.00 N ATOM 401 C5 DG B 13 -2.938 0.090 8.344 1.00 0.00 C ATOM 402 C6 DG B 13 -1.553 -0.213 8.576 1.00 0.00 C ATOM 403 O6 DG B 13 -0.965 -1.293 8.579 1.00 0.00 O ATOM 404 N1 DG B 13 -0.809 0.899 8.914 1.00 0.00 N ATOM 405 C2 DG B 13 -1.309 2.163 9.004 1.00 0.00 C ATOM 406 N2 DG B 13 -0.488 3.143 9.286 1.00 0.00 N ATOM 407 N3 DG B 13 -2.579 2.483 8.794 1.00 0.00 N ATOM 408 C4 DG B 13 -3.348 1.397 8.495 1.00 0.00 C ATOM 0 H5' DG B 13 -8.818 1.604 10.230 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.689 2.035 8.773 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.213 3.814 9.480 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.434 3.286 6.835 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.592 1.731 6.688 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.800 3.248 6.309 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.862 3.456 8.502 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.048 -0.202 7.788 1.00 0.00 H new ATOM 0 H1 DG B 13 0.183 0.765 9.110 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.839 4.098 9.359 1.00 0.00 H new ATOM 0 H22 DG B 13 0.503 2.952 9.433 1.00 0.00 H new ATOM 420 P DT B 14 -7.175 5.734 6.127 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.953 6.986 6.232 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.365 4.841 4.963 1.00 0.00 O ATOM 423 O5' DT B 14 -5.604 6.108 6.213 1.00 0.00 O ATOM 424 C5' DT B 14 -5.129 6.997 7.215 1.00 0.00 C ATOM 425 C4' DT B 14 -3.627 7.303 7.112 1.00 0.00 C ATOM 426 O4' DT B 14 -2.880 6.104 7.275 1.00 0.00 O ATOM 427 C3' DT B 14 -3.193 7.959 5.794 1.00 0.00 C ATOM 428 O3' DT B 14 -2.213 8.952 6.072 1.00 0.00 O ATOM 429 C2' DT B 14 -2.627 6.780 5.024 1.00 0.00 C ATOM 430 C1' DT B 14 -2.040 5.925 6.148 1.00 0.00 C ATOM 431 N1 DT B 14 -1.963 4.477 5.821 1.00 0.00 N ATOM 432 C2 DT B 14 -0.751 3.815 6.043 1.00 0.00 C ATOM 433 O2 DT B 14 0.269 4.372 6.433 1.00 0.00 O ATOM 434 N3 DT B 14 -0.731 2.461 5.794 1.00 0.00 N ATOM 435 C4 DT B 14 -1.788 1.715 5.314 1.00 0.00 C ATOM 436 O4 DT B 14 -1.620 0.513 5.134 1.00 0.00 O ATOM 437 C5 DT B 14 -3.017 2.468 5.073 1.00 0.00 C ATOM 438 C7 DT B 14 -4.254 1.765 4.533 1.00 0.00 C ATOM 439 C6 DT B 14 -3.065 3.801 5.338 1.00 0.00 C ATOM 0 H5' DT B 14 -5.336 6.568 8.196 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.686 7.932 7.151 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.428 8.024 7.905 1.00 0.00 H new ATOM 0 H3' DT B 14 -3.981 8.471 5.241 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.398 6.248 4.466 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.868 7.088 4.305 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.013 6.246 6.325 1.00 0.00 H new ATOM 0 H3 DT B 14 0.141 1.966 5.981 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.951 0.924 3.909 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.858 1.401 5.364 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.840 2.465 3.938 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.984 4.342 5.167 1.00 0.00 H new ATOM 452 P DA B 15 -1.551 9.868 4.915 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.161 11.161 5.516 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.438 9.838 3.732 1.00 0.00 O ATOM 455 O5' DA B 15 -0.208 9.045 4.560 1.00 0.00 O ATOM 456 C5' DA B 15 0.887 9.018 5.463 1.00 0.00 C ATOM 457 C4' DA B 15 2.085 8.230 4.916 1.00 0.00 C ATOM 458 O4' DA B 15 1.786 6.838 4.888 1.00 0.00 O ATOM 459 C3' DA B 15 2.499 8.657 3.502 1.00 0.00 C ATOM 460 O3' DA B 15 3.896 8.921 3.485 1.00 0.00 O ATOM 461 C2' DA B 15 2.132 7.429 2.683 1.00 0.00 C ATOM 462 C1' DA B 15 2.300 6.292 3.689 1.00 0.00 C ATOM 463 N9 DA B 15 1.548 5.064 3.331 1.00 0.00 N ATOM 464 C8 DA B 15 0.234 4.953 2.941 1.00 0.00 C ATOM 465 N7 DA B 15 -0.169 3.730 2.725 1.00 0.00 N ATOM 466 C5 DA B 15 0.976 2.969 2.994 1.00 0.00 C ATOM 467 C6 DA B 15 1.267 1.585 2.980 1.00 0.00 C ATOM 468 N6 DA B 15 0.371 0.646 2.727 1.00 0.00 N ATOM 469 N1 DA B 15 2.500 1.142 3.251 1.00 0.00 N ATOM 470 C2 DA B 15 3.430 2.042 3.559 1.00 0.00 C ATOM 471 N3 DA B 15 3.300 3.365 3.627 1.00 0.00 N ATOM 472 C4 DA B 15 2.032 3.773 3.339 1.00 0.00 C ATOM 0 H5' DA B 15 0.565 8.575 6.405 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.198 10.040 5.681 1.00 0.00 H new ATOM 0 H4' DA B 15 2.915 8.444 5.590 1.00 0.00 H new ATOM 0 H3' DA B 15 2.024 9.564 3.128 1.00 0.00 H new ATOM 0 H2' DA B 15 1.112 7.486 2.303 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.787 7.307 1.821 1.00 0.00 H new ATOM 0 H1' DA B 15 3.340 5.971 3.744 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.413 5.809 2.823 1.00 0.00 H new ATOM 0 H61 DA B 15 0.646 -0.336 2.732 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.595 0.904 2.527 1.00 0.00 H new ATOM 0 H2 DA B 15 4.412 1.651 3.781 1.00 0.00 H new ATOM 484 P DC B 16 4.638 9.539 2.188 1.00 0.00 P ATOM 485 OP1 DC B 16 5.767 10.382 2.638 1.00 0.00 O ATOM 486 OP2 DC B 16 3.625 10.081 1.260 1.00 0.00 O ATOM 487 O5' DC B 16 5.247 8.209 1.527 1.00 0.00 O ATOM 488 C5' DC B 16 6.377 7.571 2.094 1.00 0.00 C ATOM 489 C4' DC B 16 6.730 6.295 1.327 1.00 0.00 C ATOM 490 O4' DC B 16 5.839 5.247 1.655 1.00 0.00 O ATOM 491 C3' DC B 16 6.657 6.438 -0.195 1.00 0.00 C ATOM 492 O3' DC B 16 7.840 6.990 -0.740 1.00 0.00 O ATOM 493 C2' DC B 16 6.475 4.987 -0.623 1.00 0.00 C ATOM 494 C1' DC B 16 5.859 4.300 0.604 1.00 0.00 C ATOM 495 N1 DC B 16 4.471 3.841 0.344 1.00 0.00 N ATOM 496 C2 DC B 16 4.218 2.469 0.265 1.00 0.00 C ATOM 497 O2 DC B 16 5.110 1.637 0.428 1.00 0.00 O ATOM 498 N3 DC B 16 2.970 2.025 -0.015 1.00 0.00 N ATOM 499 C4 DC B 16 1.997 2.899 -0.202 1.00 0.00 C ATOM 500 N4 DC B 16 0.807 2.393 -0.401 1.00 0.00 N ATOM 501 C5 DC B 16 2.203 4.311 -0.157 1.00 0.00 C ATOM 502 C6 DC B 16 3.462 4.744 0.121 1.00 0.00 C ATOM 0 H5' DC B 16 6.176 7.328 3.138 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.227 8.253 2.083 1.00 0.00 H new ATOM 0 H4' DC B 16 7.758 6.084 1.623 1.00 0.00 H new ATOM 0 H3' DC B 16 5.870 7.113 -0.533 1.00 0.00 H new ATOM 0 H2' DC B 16 5.822 4.908 -1.492 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.427 4.531 -0.897 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.750 7.061 -1.713 1.00 0.00 H new ATOM 0 H1' DC B 16 6.454 3.422 0.856 1.00 0.00 H new ATOM 0 H41 DC B 16 0.009 3.010 -0.552 1.00 0.00 H new ATOM 0 H42 DC B 16 0.677 1.381 -0.405 1.00 0.00 H new ATOM 0 H5 DC B 16 1.395 5.005 -0.336 1.00 0.00 H new ATOM 0 H6 DC B 16 3.669 5.803 0.166 1.00 0.00 H new TER 515 DC B 16