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 29:sc= 0.0032 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.78! (180deg=-1.78!) 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= -1.64! (180deg=-1.64!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 2.401 -9.474 -1.034 1.00 0.00 O ATOM 2 C5' DC A 1 3.689 -8.950 -1.281 1.00 0.00 C ATOM 3 C4' DC A 1 4.047 -7.875 -0.249 1.00 0.00 C ATOM 4 O4' DC A 1 3.115 -6.814 -0.275 1.00 0.00 O ATOM 5 C3' DC A 1 4.151 -8.390 1.190 1.00 0.00 C ATOM 6 O3' DC A 1 5.543 -8.586 1.412 1.00 0.00 O ATOM 7 C2' DC A 1 3.496 -7.231 1.991 1.00 0.00 C ATOM 8 C1' DC A 1 3.243 -6.130 0.951 1.00 0.00 C ATOM 9 N1 DC A 1 2.039 -5.303 1.217 1.00 0.00 N ATOM 10 C2 DC A 1 2.112 -3.908 1.275 1.00 0.00 C ATOM 11 O2 DC A 1 3.185 -3.317 1.183 1.00 0.00 O ATOM 12 N3 DC A 1 0.952 -3.203 1.438 1.00 0.00 N ATOM 13 C4 DC A 1 -0.233 -3.830 1.542 1.00 0.00 C ATOM 14 N4 DC A 1 -1.342 -3.101 1.708 1.00 0.00 N ATOM 15 C5 DC A 1 -0.329 -5.258 1.418 1.00 0.00 C ATOM 16 C6 DC A 1 0.832 -5.929 1.252 1.00 0.00 C ATOM 0 H5' DC A 1 3.727 -8.525 -2.284 1.00 0.00 H new ATOM 0 H5'' DC A 1 4.426 -9.753 -1.247 1.00 0.00 H new ATOM 0 H4' DC A 1 5.038 -7.531 -0.546 1.00 0.00 H new ATOM 0 H3' DC A 1 3.665 -9.329 1.456 1.00 0.00 H new ATOM 0 H2' DC A 1 2.567 -7.551 2.462 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.152 -6.880 2.787 1.00 0.00 H new ATOM 0 HO5' DC A 1 1.848 -8.791 -0.601 1.00 0.00 H new ATOM 0 H1' DC A 1 4.063 -5.412 0.966 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.248 -3.562 1.788 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.281 -2.084 1.754 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.280 -5.769 1.456 1.00 0.00 H new ATOM 0 H6 DC A 1 0.800 -7.003 1.143 1.00 0.00 H new ATOM 29 P DG A 2 6.246 -8.603 2.862 1.00 0.00 P ATOM 30 OP1 DG A 2 7.594 -9.193 2.709 1.00 0.00 O ATOM 31 OP2 DG A 2 5.296 -9.176 3.841 1.00 0.00 O ATOM 32 O5' DG A 2 6.421 -7.028 3.180 1.00 0.00 O ATOM 33 C5' DG A 2 7.024 -6.133 2.259 1.00 0.00 C ATOM 34 C4' DG A 2 7.162 -4.739 2.855 1.00 0.00 C ATOM 35 O4' DG A 2 5.900 -4.097 2.765 1.00 0.00 O ATOM 36 C3' DG A 2 7.618 -4.739 4.320 1.00 0.00 C ATOM 37 O3' DG A 2 8.606 -3.736 4.455 1.00 0.00 O ATOM 38 C2' DG A 2 6.278 -4.468 4.988 1.00 0.00 C ATOM 39 C1' DG A 2 5.654 -3.490 4.004 1.00 0.00 C ATOM 40 N9 DG A 2 4.206 -3.306 4.243 1.00 0.00 N ATOM 41 C8 DG A 2 3.303 -4.267 4.605 1.00 0.00 C ATOM 42 N7 DG A 2 2.066 -3.865 4.643 1.00 0.00 N ATOM 43 C5 DG A 2 2.155 -2.519 4.312 1.00 0.00 C ATOM 44 C6 DG A 2 1.119 -1.549 4.181 1.00 0.00 C ATOM 45 O6 DG A 2 -0.091 -1.739 4.230 1.00 0.00 O ATOM 46 N1 DG A 2 1.613 -0.265 3.973 1.00 0.00 N ATOM 47 C2 DG A 2 2.953 0.033 3.808 1.00 0.00 C ATOM 48 N2 DG A 2 3.266 1.320 3.621 1.00 0.00 N ATOM 49 N3 DG A 2 3.924 -0.898 3.831 1.00 0.00 N ATOM 50 C4 DG A 2 3.464 -2.152 4.101 1.00 0.00 C ATOM 0 H5' DG A 2 6.425 -6.085 1.350 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.007 -6.508 1.974 1.00 0.00 H new ATOM 0 H4' DG A 2 7.934 -4.216 2.290 1.00 0.00 H new ATOM 0 H3' DG A 2 8.096 -5.624 4.739 1.00 0.00 H new ATOM 0 H2' DG A 2 5.683 -5.374 5.101 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.393 -4.036 5.982 1.00 0.00 H new ATOM 0 H1' DG A 2 6.069 -2.485 4.084 1.00 0.00 H new ATOM 0 H8 DG A 2 3.594 -5.280 4.841 1.00 0.00 H new ATOM 0 H1 DG A 2 0.945 0.505 3.940 1.00 0.00 H new ATOM 0 H21 DG A 2 4.240 1.595 3.494 1.00 0.00 H new ATOM 0 H22 DG A 2 2.531 2.027 3.605 1.00 0.00 H new ATOM 62 P DC A 3 9.130 -3.203 5.875 1.00 0.00 P ATOM 63 OP1 DC A 3 10.572 -2.891 5.757 1.00 0.00 O ATOM 64 OP2 DC A 3 8.651 -4.099 6.951 1.00 0.00 O ATOM 65 O5' DC A 3 8.305 -1.824 5.937 1.00 0.00 O ATOM 66 C5' DC A 3 8.587 -0.774 5.030 1.00 0.00 C ATOM 67 C4' DC A 3 7.842 0.494 5.435 1.00 0.00 C ATOM 68 O4' DC A 3 6.447 0.294 5.317 1.00 0.00 O ATOM 69 C3' DC A 3 8.161 0.911 6.878 1.00 0.00 C ATOM 70 O3' DC A 3 8.695 2.223 6.831 1.00 0.00 O ATOM 71 C2' DC A 3 6.823 0.772 7.584 1.00 0.00 C ATOM 72 C1' DC A 3 5.807 0.833 6.455 1.00 0.00 C ATOM 73 N1 DC A 3 4.649 -0.027 6.805 1.00 0.00 N ATOM 74 C2 DC A 3 3.388 0.533 6.997 1.00 0.00 C ATOM 75 O2 DC A 3 3.193 1.740 6.874 1.00 0.00 O ATOM 76 N3 DC A 3 2.359 -0.298 7.328 1.00 0.00 N ATOM 77 C4 DC A 3 2.545 -1.615 7.498 1.00 0.00 C ATOM 78 N4 DC A 3 1.495 -2.392 7.777 1.00 0.00 N ATOM 79 C5 DC A 3 3.843 -2.198 7.352 1.00 0.00 C ATOM 80 C6 DC A 3 4.846 -1.375 6.985 1.00 0.00 C ATOM 0 H5' DC A 3 8.296 -1.068 4.022 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.660 -0.582 5.009 1.00 0.00 H new ATOM 0 H4' DC A 3 8.171 1.289 4.765 1.00 0.00 H new ATOM 0 H3' DC A 3 8.907 0.321 7.411 1.00 0.00 H new ATOM 0 H2' DC A 3 6.756 -0.168 8.132 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.667 1.574 8.306 1.00 0.00 H new ATOM 0 H1' DC A 3 5.460 1.851 6.279 1.00 0.00 H new ATOM 0 H41 DC A 3 1.624 -3.395 7.908 1.00 0.00 H new ATOM 0 H42 DC A 3 0.565 -1.982 7.859 1.00 0.00 H new ATOM 0 H5 DC A 3 4.012 -3.250 7.528 1.00 0.00 H new ATOM 0 H6 DC A 3 5.832 -1.787 6.828 1.00 0.00 H new ATOM 92 P DT A 4 9.060 3.074 8.148 1.00 0.00 P ATOM 93 OP1 DT A 4 9.930 4.201 7.744 1.00 0.00 O ATOM 94 OP2 DT A 4 9.503 2.142 9.209 1.00 0.00 O ATOM 95 O5' DT A 4 7.622 3.667 8.559 1.00 0.00 O ATOM 96 C5' DT A 4 6.860 4.461 7.667 1.00 0.00 C ATOM 97 C4' DT A 4 5.586 4.943 8.369 1.00 0.00 C ATOM 98 O4' DT A 4 4.695 3.857 8.547 1.00 0.00 O ATOM 99 C3' DT A 4 5.860 5.571 9.740 1.00 0.00 C ATOM 100 O3' DT A 4 5.431 6.922 9.754 1.00 0.00 O ATOM 101 C2' DT A 4 5.095 4.657 10.700 1.00 0.00 C ATOM 102 C1' DT A 4 4.062 3.975 9.805 1.00 0.00 C ATOM 103 N1 DT A 4 3.641 2.615 10.262 1.00 0.00 N ATOM 104 C2 DT A 4 2.277 2.326 10.321 1.00 0.00 C ATOM 105 O2 DT A 4 1.400 3.185 10.272 1.00 0.00 O ATOM 106 N3 DT A 4 1.937 0.986 10.442 1.00 0.00 N ATOM 107 C4 DT A 4 2.814 -0.086 10.510 1.00 0.00 C ATOM 108 O4 DT A 4 2.373 -1.231 10.601 1.00 0.00 O ATOM 109 C5 DT A 4 4.218 0.292 10.463 1.00 0.00 C ATOM 110 C7 DT A 4 5.301 -0.781 10.439 1.00 0.00 C ATOM 111 C6 DT A 4 4.569 1.600 10.358 1.00 0.00 C ATOM 0 H5' DT A 4 6.602 3.883 6.779 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.448 5.315 7.331 1.00 0.00 H new ATOM 0 H4' DT A 4 5.151 5.710 7.728 1.00 0.00 H new ATOM 0 H3' DT A 4 6.913 5.629 10.016 1.00 0.00 H new ATOM 0 H2' DT A 4 5.756 3.931 11.174 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.619 5.225 11.500 1.00 0.00 H new ATOM 0 H1' DT A 4 3.148 4.568 9.803 1.00 0.00 H new ATOM 0 H3 DT A 4 0.942 0.768 10.485 1.00 0.00 H new ATOM 0 H71 DT A 4 6.169 -0.410 9.895 1.00 0.00 H new ATOM 0 H72 DT A 4 5.591 -1.028 11.460 1.00 0.00 H new ATOM 0 H73 DT A 4 4.918 -1.674 9.945 1.00 0.00 H new ATOM 0 H6 DT A 4 5.618 1.855 10.349 1.00 0.00 H new ATOM 124 P DA A 5 5.565 7.863 11.063 1.00 0.00 P ATOM 125 OP1 DA A 5 5.749 9.261 10.616 1.00 0.00 O ATOM 126 OP2 DA A 5 6.534 7.252 12.000 1.00 0.00 O ATOM 127 O5' DA A 5 4.089 7.719 11.689 1.00 0.00 O ATOM 128 C5' DA A 5 2.974 8.226 10.988 1.00 0.00 C ATOM 129 C4' DA A 5 1.664 7.847 11.656 1.00 0.00 C ATOM 130 O4' DA A 5 1.532 6.446 11.750 1.00 0.00 O ATOM 131 C3' DA A 5 1.515 8.452 13.057 1.00 0.00 C ATOM 132 O3' DA A 5 0.391 9.305 12.987 1.00 0.00 O ATOM 133 C2' DA A 5 1.462 7.221 13.950 1.00 0.00 C ATOM 134 C1' DA A 5 0.963 6.143 13.004 1.00 0.00 C ATOM 135 N9 DA A 5 1.390 4.773 13.360 1.00 0.00 N ATOM 136 C8 DA A 5 2.657 4.285 13.575 1.00 0.00 C ATOM 137 N7 DA A 5 2.723 2.985 13.670 1.00 0.00 N ATOM 138 C5 DA A 5 1.403 2.578 13.514 1.00 0.00 C ATOM 139 C6 DA A 5 0.771 1.315 13.502 1.00 0.00 C ATOM 140 N6 DA A 5 1.437 0.161 13.628 1.00 0.00 N ATOM 141 N1 DA A 5 -0.567 1.276 13.353 1.00 0.00 N ATOM 142 C2 DA A 5 -1.236 2.416 13.190 1.00 0.00 C ATOM 143 N3 DA A 5 -0.758 3.651 13.138 1.00 0.00 N ATOM 144 C4 DA A 5 0.587 3.664 13.320 1.00 0.00 C ATOM 0 H5' DA A 5 2.984 7.846 9.967 1.00 0.00 H new ATOM 0 H5'' DA A 5 3.048 9.312 10.925 1.00 0.00 H new ATOM 0 H4' DA A 5 0.877 8.256 11.023 1.00 0.00 H new ATOM 0 H3' DA A 5 2.299 9.093 13.460 1.00 0.00 H new ATOM 0 H2' DA A 5 2.441 6.977 14.361 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.788 7.362 14.795 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.127 6.145 13.031 1.00 0.00 H new ATOM 0 H8 DA A 5 3.524 4.923 13.658 1.00 0.00 H new ATOM 0 H61 DA A 5 0.931 -0.724 13.613 1.00 0.00 H new ATOM 0 H62 DA A 5 2.451 0.167 13.739 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.307 2.322 13.087 1.00 0.00 H new ATOM 156 P DG A 6 -0.181 10.106 14.249 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.924 11.293 13.771 1.00 0.00 O ATOM 158 OP2 DG A 6 0.881 10.245 15.270 1.00 0.00 O ATOM 159 O5' DG A 6 -1.225 9.000 14.729 1.00 0.00 O ATOM 160 C5' DG A 6 -2.345 8.650 13.938 1.00 0.00 C ATOM 161 C4' DG A 6 -3.067 7.489 14.617 1.00 0.00 C ATOM 162 O4' DG A 6 -2.306 6.286 14.487 1.00 0.00 O ATOM 163 C3' DG A 6 -3.233 7.793 16.117 1.00 0.00 C ATOM 164 O3' DG A 6 -4.569 7.639 16.548 1.00 0.00 O ATOM 165 C2' DG A 6 -2.268 6.772 16.689 1.00 0.00 C ATOM 166 C1' DG A 6 -2.393 5.616 15.725 1.00 0.00 C ATOM 167 N9 DG A 6 -1.357 4.597 16.019 1.00 0.00 N ATOM 168 C8 DG A 6 -0.024 4.762 16.313 1.00 0.00 C ATOM 169 N7 DG A 6 0.612 3.655 16.567 1.00 0.00 N ATOM 170 C5 DG A 6 -0.374 2.684 16.474 1.00 0.00 C ATOM 171 C6 DG A 6 -0.282 1.276 16.660 1.00 0.00 C ATOM 172 O6 DG A 6 0.730 0.612 16.855 1.00 0.00 O ATOM 173 N1 DG A 6 -1.525 0.653 16.600 1.00 0.00 N ATOM 174 C2 DG A 6 -2.718 1.302 16.349 1.00 0.00 C ATOM 175 N2 DG A 6 -3.832 0.563 16.370 1.00 0.00 N ATOM 176 N3 DG A 6 -2.797 2.622 16.124 1.00 0.00 N ATOM 177 C4 DG A 6 -1.593 3.255 16.202 1.00 0.00 C ATOM 0 H5' DG A 6 -2.027 8.365 12.935 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.015 9.503 13.830 1.00 0.00 H new ATOM 0 H4' DG A 6 -4.040 7.363 14.142 1.00 0.00 H new ATOM 0 H3' DG A 6 -3.022 8.818 16.423 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.249 7.157 16.729 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.540 6.483 17.704 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.304 5.019 15.770 1.00 0.00 H new ATOM 0 H8 DG A 6 0.455 5.730 16.332 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.557 -0.355 16.752 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.737 0.999 16.190 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.777 -0.437 16.566 1.00 0.00 H new ATOM 189 P DC A 7 -5.005 7.836 18.098 1.00 0.00 P ATOM 190 OP1 DC A 7 -6.297 8.557 18.129 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.857 8.348 18.879 1.00 0.00 O ATOM 192 O5' DC A 7 -5.265 6.301 18.512 1.00 0.00 O ATOM 193 C5' DC A 7 -6.165 5.538 17.740 1.00 0.00 C ATOM 194 C4' DC A 7 -6.494 4.158 18.298 1.00 0.00 C ATOM 195 O4' DC A 7 -5.396 3.290 18.112 1.00 0.00 O ATOM 196 C3' DC A 7 -6.909 4.174 19.769 1.00 0.00 C ATOM 197 O3' DC A 7 -8.095 3.411 19.914 1.00 0.00 O ATOM 198 C2' DC A 7 -5.680 3.566 20.415 1.00 0.00 C ATOM 199 C1' DC A 7 -5.098 2.661 19.336 1.00 0.00 C ATOM 200 N1 DC A 7 -3.620 2.593 19.469 1.00 0.00 N ATOM 201 C2 DC A 7 -2.980 1.378 19.731 1.00 0.00 C ATOM 202 O2 DC A 7 -3.611 0.331 19.861 1.00 0.00 O ATOM 203 N3 DC A 7 -1.619 1.375 19.842 1.00 0.00 N ATOM 204 C4 DC A 7 -0.910 2.510 19.718 1.00 0.00 C ATOM 205 N4 DC A 7 0.423 2.457 19.789 1.00 0.00 N ATOM 206 C5 DC A 7 -1.552 3.759 19.436 1.00 0.00 C ATOM 207 C6 DC A 7 -2.891 3.745 19.304 1.00 0.00 C ATOM 0 H5' DC A 7 -5.749 5.418 16.740 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.093 6.099 17.633 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.359 3.797 17.741 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.159 5.139 20.210 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.968 4.334 20.717 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.939 3.002 21.311 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.505 1.652 19.409 1.00 0.00 H new ATOM 0 H41 DC A 7 0.973 3.311 19.696 1.00 0.00 H new ATOM 0 H42 DC A 7 0.891 1.562 19.936 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.986 4.673 19.334 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.406 4.663 19.062 1.00 0.00 H new ATOM 219 P DG A 8 -8.890 3.287 21.313 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.232 2.726 21.036 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.765 4.565 22.049 1.00 0.00 O ATOM 222 O5' DG A 8 -8.033 2.172 22.092 1.00 0.00 O ATOM 223 C5' DG A 8 -7.903 0.860 21.581 1.00 0.00 C ATOM 224 C4' DG A 8 -6.981 0.021 22.472 1.00 0.00 C ATOM 225 O4' DG A 8 -5.630 0.319 22.161 1.00 0.00 O ATOM 226 C3' DG A 8 -7.166 0.255 23.983 1.00 0.00 C ATOM 227 O3' DG A 8 -7.275 -0.971 24.676 1.00 0.00 O ATOM 228 C2' DG A 8 -5.871 0.960 24.367 1.00 0.00 C ATOM 229 C1' DG A 8 -4.912 0.322 23.373 1.00 0.00 C ATOM 230 N9 DG A 8 -3.623 1.035 23.246 1.00 0.00 N ATOM 231 C8 DG A 8 -3.369 2.383 23.187 1.00 0.00 C ATOM 232 N7 DG A 8 -2.106 2.676 23.034 1.00 0.00 N ATOM 233 C5 DG A 8 -1.473 1.437 22.992 1.00 0.00 C ATOM 234 C6 DG A 8 -0.091 1.102 22.836 1.00 0.00 C ATOM 235 O6 DG A 8 0.865 1.861 22.700 1.00 0.00 O ATOM 236 N1 DG A 8 0.130 -0.275 22.848 1.00 0.00 N ATOM 237 C2 DG A 8 -0.864 -1.222 23.008 1.00 0.00 C ATOM 238 N2 DG A 8 -0.493 -2.505 23.023 1.00 0.00 N ATOM 239 N3 DG A 8 -2.160 -0.911 23.142 1.00 0.00 N ATOM 240 C4 DG A 8 -2.397 0.429 23.123 1.00 0.00 C ATOM 0 H5' DG A 8 -7.503 0.897 20.568 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.884 0.389 21.519 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.244 -1.017 22.266 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.068 0.818 24.224 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.935 2.042 24.248 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.585 0.770 25.401 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.390 -0.796 25.633 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.615 -0.675 23.698 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.143 3.132 23.260 1.00 0.00 H new ATOM 0 H1 DG A 8 1.088 -0.605 22.731 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.194 -3.237 23.139 1.00 0.00 H new ATOM 0 H22 DG A 8 0.491 -2.753 22.919 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 6.872 -6.011 26.177 1.00 0.00 O ATOM 255 C5' DC B 1 7.306 -6.160 24.842 1.00 0.00 C ATOM 256 C4' DC B 1 6.105 -6.141 23.891 1.00 0.00 C ATOM 257 O4' DC B 1 5.447 -4.891 23.920 1.00 0.00 O ATOM 258 C3' DC B 1 6.487 -6.429 22.436 1.00 0.00 C ATOM 259 O3' DC B 1 6.192 -7.806 22.242 1.00 0.00 O ATOM 260 C2' DC B 1 5.589 -5.428 21.660 1.00 0.00 C ATOM 261 C1' DC B 1 4.689 -4.805 22.734 1.00 0.00 C ATOM 262 N1 DC B 1 4.301 -3.400 22.453 1.00 0.00 N ATOM 263 C2 DC B 1 2.960 -3.012 22.406 1.00 0.00 C ATOM 264 O2 DC B 1 2.051 -3.828 22.535 1.00 0.00 O ATOM 265 N3 DC B 1 2.674 -1.689 22.212 1.00 0.00 N ATOM 266 C4 DC B 1 3.653 -0.781 22.061 1.00 0.00 C ATOM 267 N4 DC B 1 3.326 0.500 21.860 1.00 0.00 N ATOM 268 C5 DC B 1 5.036 -1.158 22.164 1.00 0.00 C ATOM 269 C6 DC B 1 5.291 -2.470 22.366 1.00 0.00 C ATOM 0 H5' DC B 1 7.852 -7.097 24.732 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.996 -5.357 24.584 1.00 0.00 H new ATOM 0 H4' DC B 1 5.448 -6.934 24.249 1.00 0.00 H new ATOM 0 H3' DC B 1 7.522 -6.293 22.122 1.00 0.00 H new ATOM 0 H2' DC B 1 6.186 -4.669 21.154 1.00 0.00 H new ATOM 0 H2'' DC B 1 5.001 -5.934 20.894 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.647 -6.026 26.777 1.00 0.00 H new ATOM 0 H1' DC B 1 3.737 -5.334 22.788 1.00 0.00 H new ATOM 0 H41 DC B 1 4.058 1.201 21.744 1.00 0.00 H new ATOM 0 H42 DC B 1 2.345 0.776 21.823 1.00 0.00 H new ATOM 0 H5 DC B 1 5.830 -0.431 22.084 1.00 0.00 H new ATOM 0 H6 DC B 1 6.317 -2.792 22.462 1.00 0.00 H new ATOM 282 P DG B 2 5.923 -8.490 20.809 1.00 0.00 P ATOM 283 OP1 DG B 2 6.021 -9.957 20.976 1.00 0.00 O ATOM 284 OP2 DG B 2 6.758 -7.806 19.797 1.00 0.00 O ATOM 285 O5' DG B 2 4.375 -8.119 20.533 1.00 0.00 O ATOM 286 C5' DG B 2 3.353 -8.372 21.484 1.00 0.00 C ATOM 287 C4' DG B 2 1.979 -8.043 20.916 1.00 0.00 C ATOM 288 O4' DG B 2 1.786 -6.641 20.998 1.00 0.00 O ATOM 289 C3' DG B 2 1.797 -8.488 19.459 1.00 0.00 C ATOM 290 O3' DG B 2 0.519 -9.085 19.360 1.00 0.00 O ATOM 291 C2' DG B 2 1.974 -7.137 18.780 1.00 0.00 C ATOM 292 C1' DG B 2 1.260 -6.227 19.766 1.00 0.00 C ATOM 293 N9 DG B 2 1.546 -4.799 19.510 1.00 0.00 N ATOM 294 C8 DG B 2 2.740 -4.252 19.129 1.00 0.00 C ATOM 295 N7 DG B 2 2.750 -2.952 19.076 1.00 0.00 N ATOM 296 C5 DG B 2 1.450 -2.604 19.422 1.00 0.00 C ATOM 297 C6 DG B 2 0.857 -1.314 19.551 1.00 0.00 C ATOM 298 O6 DG B 2 1.413 -0.222 19.484 1.00 0.00 O ATOM 299 N1 DG B 2 -0.514 -1.378 19.781 1.00 0.00 N ATOM 300 C2 DG B 2 -1.216 -2.555 19.972 1.00 0.00 C ATOM 301 N2 DG B 2 -2.532 -2.448 20.184 1.00 0.00 N ATOM 302 N3 DG B 2 -0.637 -3.769 19.952 1.00 0.00 N ATOM 303 C4 DG B 2 0.691 -3.728 19.656 1.00 0.00 C ATOM 0 H5' DG B 2 3.531 -7.777 22.380 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.384 -9.419 21.785 1.00 0.00 H new ATOM 0 H4' DG B 2 1.244 -8.591 21.505 1.00 0.00 H new ATOM 0 H3' DG B 2 2.461 -9.238 19.029 1.00 0.00 H new ATOM 0 H2' DG B 2 3.024 -6.871 18.657 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.520 -7.110 17.789 1.00 0.00 H new ATOM 0 H1' DG B 2 0.174 -6.302 19.707 1.00 0.00 H new ATOM 0 H8 DG B 2 3.606 -4.852 18.891 1.00 0.00 H new ATOM 0 H1 DG B 2 -1.035 -0.501 19.811 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.095 -3.286 20.330 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.973 -1.528 20.199 1.00 0.00 H new ATOM 315 P DC B 3 -0.197 -9.406 17.960 1.00 0.00 P ATOM 316 OP1 DC B 3 -0.975 -10.656 18.105 1.00 0.00 O ATOM 317 OP2 DC B 3 0.782 -9.265 16.859 1.00 0.00 O ATOM 318 O5' DC B 3 -1.217 -8.164 17.911 1.00 0.00 O ATOM 319 C5' DC B 3 -2.299 -8.076 18.821 1.00 0.00 C ATOM 320 C4' DC B 3 -3.227 -6.933 18.410 1.00 0.00 C ATOM 321 O4' DC B 3 -2.549 -5.696 18.484 1.00 0.00 O ATOM 322 C3' DC B 3 -3.774 -7.112 16.986 1.00 0.00 C ATOM 323 O3' DC B 3 -5.191 -7.138 17.053 1.00 0.00 O ATOM 324 C2' DC B 3 -3.195 -5.920 16.245 1.00 0.00 C ATOM 325 C1' DC B 3 -2.882 -4.924 17.349 1.00 0.00 C ATOM 326 N1 DC B 3 -1.697 -4.126 16.953 1.00 0.00 N ATOM 327 C2 DC B 3 -1.800 -2.749 16.764 1.00 0.00 C ATOM 328 O2 DC B 3 -2.866 -2.154 16.904 1.00 0.00 O ATOM 329 N3 DC B 3 -0.673 -2.066 16.415 1.00 0.00 N ATOM 330 C4 DC B 3 0.500 -2.688 16.231 1.00 0.00 C ATOM 331 N4 DC B 3 1.583 -1.960 15.946 1.00 0.00 N ATOM 332 C5 DC B 3 0.610 -4.109 16.376 1.00 0.00 C ATOM 333 C6 DC B 3 -0.502 -4.769 16.756 1.00 0.00 C ATOM 0 H5' DC B 3 -1.925 -7.908 19.831 1.00 0.00 H new ATOM 0 H5'' DC B 3 -2.850 -9.016 18.838 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.066 -6.946 19.106 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.501 -8.036 16.477 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.300 -6.193 15.687 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.906 -5.511 15.527 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.720 -4.253 17.541 1.00 0.00 H new ATOM 0 H41 DC B 3 2.483 -2.419 15.803 1.00 0.00 H new ATOM 0 H42 DC B 3 1.510 -0.945 15.871 1.00 0.00 H new ATOM 0 H5 DC B 3 1.539 -4.627 16.190 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.450 -5.837 16.910 1.00 0.00 H new ATOM 345 P DT B 4 -6.135 -7.224 15.748 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.491 -7.624 16.186 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.435 -8.010 14.708 1.00 0.00 O ATOM 348 O5' DT B 4 -6.196 -5.687 15.264 1.00 0.00 O ATOM 349 C5' DT B 4 -6.650 -4.658 16.125 1.00 0.00 C ATOM 350 C4' DT B 4 -6.659 -3.307 15.405 1.00 0.00 C ATOM 351 O4' DT B 4 -5.326 -2.860 15.235 1.00 0.00 O ATOM 352 C3' DT B 4 -7.336 -3.360 14.031 1.00 0.00 C ATOM 353 O3' DT B 4 -8.438 -2.472 13.973 1.00 0.00 O ATOM 354 C2' DT B 4 -6.200 -2.990 13.078 1.00 0.00 C ATOM 355 C1' DT B 4 -5.199 -2.258 13.965 1.00 0.00 C ATOM 356 N1 DT B 4 -3.784 -2.382 13.513 1.00 0.00 N ATOM 357 C2 DT B 4 -3.016 -1.224 13.399 1.00 0.00 C ATOM 358 O2 DT B 4 -3.492 -0.092 13.421 1.00 0.00 O ATOM 359 N3 DT B 4 -1.649 -1.407 13.255 1.00 0.00 N ATOM 360 C4 DT B 4 -0.981 -2.622 13.206 1.00 0.00 C ATOM 361 O4 DT B 4 0.242 -2.643 13.092 1.00 0.00 O ATOM 362 C5 DT B 4 -1.849 -3.783 13.298 1.00 0.00 C ATOM 363 C7 DT B 4 -1.249 -5.182 13.306 1.00 0.00 C ATOM 364 C6 DT B 4 -3.191 -3.622 13.435 1.00 0.00 C ATOM 0 H5' DT B 4 -6.006 -4.602 17.003 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.654 -4.892 16.480 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.235 -2.622 16.027 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.772 -4.328 13.783 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.757 -3.875 12.622 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.552 -2.355 12.265 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.418 -1.190 13.949 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.078 -0.565 13.177 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.889 -5.849 13.883 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.170 -5.550 12.283 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.258 -5.150 13.758 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.817 -4.501 13.485 1.00 0.00 H new ATOM 377 P DA B 5 -9.326 -2.298 12.634 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.685 -1.862 13.026 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.153 -3.498 11.783 1.00 0.00 O ATOM 380 O5' DA B 5 -8.576 -1.061 11.923 1.00 0.00 O ATOM 381 C5' DA B 5 -8.667 0.234 12.474 1.00 0.00 C ATOM 382 C4' DA B 5 -7.811 1.264 11.743 1.00 0.00 C ATOM 383 O4' DA B 5 -6.459 0.842 11.750 1.00 0.00 O ATOM 384 C3' DA B 5 -8.251 1.421 10.280 1.00 0.00 C ATOM 385 O3' DA B 5 -8.053 2.724 9.785 1.00 0.00 O ATOM 386 C2' DA B 5 -7.231 0.560 9.572 1.00 0.00 C ATOM 387 C1' DA B 5 -6.000 0.887 10.418 1.00 0.00 C ATOM 388 N9 DA B 5 -4.890 -0.061 10.217 1.00 0.00 N ATOM 389 C8 DA B 5 -4.935 -1.415 10.033 1.00 0.00 C ATOM 390 N7 DA B 5 -3.760 -1.986 9.977 1.00 0.00 N ATOM 391 C5 DA B 5 -2.868 -0.923 10.110 1.00 0.00 C ATOM 392 C6 DA B 5 -1.457 -0.817 10.126 1.00 0.00 C ATOM 393 N6 DA B 5 -0.628 -1.866 10.048 1.00 0.00 N ATOM 394 N1 DA B 5 -0.911 0.409 10.232 1.00 0.00 N ATOM 395 C2 DA B 5 -1.710 1.467 10.341 1.00 0.00 C ATOM 396 N3 DA B 5 -3.034 1.501 10.379 1.00 0.00 N ATOM 397 C4 DA B 5 -3.558 0.256 10.251 1.00 0.00 C ATOM 0 H5' DA B 5 -8.364 0.198 13.521 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.708 0.557 12.454 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.928 2.218 12.256 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.306 1.178 10.153 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.487 -0.499 9.596 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.105 0.834 8.525 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.588 1.857 10.140 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.860 -1.965 9.942 1.00 0.00 H new ATOM 0 H61 DA B 5 0.381 -1.721 10.065 1.00 0.00 H new ATOM 0 H62 DA B 5 -1.006 -2.810 9.972 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.214 2.424 10.407 1.00 0.00 H new ATOM 409 P DG B 6 -9.115 3.902 9.998 1.00 0.00 P ATOM 410 OP1 DG B 6 -9.278 4.167 11.444 1.00 0.00 O ATOM 411 OP2 DG B 6 -10.298 3.637 9.149 1.00 0.00 O ATOM 412 O5' DG B 6 -8.266 5.096 9.343 1.00 0.00 O ATOM 413 C5' DG B 6 -6.984 5.447 9.832 1.00 0.00 C ATOM 414 C4' DG B 6 -5.839 5.189 8.834 1.00 0.00 C ATOM 415 O4' DG B 6 -5.114 3.965 8.973 1.00 0.00 O ATOM 416 C3' DG B 6 -6.188 5.310 7.341 1.00 0.00 C ATOM 417 O3' DG B 6 -5.827 6.595 6.865 1.00 0.00 O ATOM 418 C2' DG B 6 -5.444 4.127 6.734 1.00 0.00 C ATOM 419 C1' DG B 6 -4.389 3.786 7.760 1.00 0.00 C ATOM 420 N9 DG B 6 -3.784 2.457 7.494 1.00 0.00 N ATOM 421 C8 DG B 6 -4.372 1.254 7.174 1.00 0.00 C ATOM 422 N7 DG B 6 -3.533 0.280 6.969 1.00 0.00 N ATOM 423 C5 DG B 6 -2.292 0.883 7.110 1.00 0.00 C ATOM 424 C6 DG B 6 -0.989 0.326 6.983 1.00 0.00 C ATOM 425 O6 DG B 6 -0.694 -0.854 6.827 1.00 0.00 O ATOM 426 N1 DG B 6 0.010 1.291 7.054 1.00 0.00 N ATOM 427 C2 DG B 6 -0.213 2.636 7.273 1.00 0.00 C ATOM 428 N2 DG B 6 0.853 3.443 7.282 1.00 0.00 N ATOM 429 N3 DG B 6 -1.438 3.151 7.451 1.00 0.00 N ATOM 430 C4 DG B 6 -2.433 2.227 7.355 1.00 0.00 C ATOM 0 H5' DG B 6 -6.789 4.885 10.746 1.00 0.00 H new ATOM 0 H5'' DG B 6 -6.986 6.503 10.101 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.207 6.022 9.142 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.246 5.254 7.083 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.113 3.285 6.556 1.00 0.00 H new ATOM 0 H2'' DG B 6 -4.997 4.388 5.775 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.488 4.399 7.768 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.442 1.129 7.099 1.00 0.00 H new ATOM 0 H1 DG B 6 0.975 0.984 6.936 1.00 0.00 H new ATOM 0 H21 DG B 6 0.734 4.444 7.440 1.00 0.00 H new ATOM 0 H22 DG B 6 1.785 3.058 7.131 1.00 0.00 H new ATOM 442 P DC B 7 -5.784 6.991 5.297 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.085 8.435 5.174 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.567 6.006 4.518 1.00 0.00 O ATOM 445 O5' DC B 7 -4.215 6.773 4.983 1.00 0.00 O ATOM 446 C5' DC B 7 -3.247 7.389 5.809 1.00 0.00 C ATOM 447 C4' DC B 7 -1.815 7.286 5.281 1.00 0.00 C ATOM 448 O4' DC B 7 -1.320 5.968 5.446 1.00 0.00 O ATOM 449 C3' DC B 7 -1.675 7.726 3.828 1.00 0.00 C ATOM 450 O3' DC B 7 -0.550 8.583 3.707 1.00 0.00 O ATOM 451 C2' DC B 7 -1.512 6.376 3.176 1.00 0.00 C ATOM 452 C1' DC B 7 -0.795 5.521 4.217 1.00 0.00 C ATOM 453 N1 DC B 7 -1.140 4.085 4.048 1.00 0.00 N ATOM 454 C2 DC B 7 -0.153 3.104 3.906 1.00 0.00 C ATOM 455 O2 DC B 7 1.041 3.392 3.848 1.00 0.00 O ATOM 456 N3 DC B 7 -0.548 1.796 3.832 1.00 0.00 N ATOM 457 C4 DC B 7 -1.848 1.458 3.896 1.00 0.00 C ATOM 458 N4 DC B 7 -2.194 0.169 3.845 1.00 0.00 N ATOM 459 C5 DC B 7 -2.867 2.451 4.062 1.00 0.00 C ATOM 460 C6 DC B 7 -2.459 3.730 4.135 1.00 0.00 C ATOM 0 H5' DC B 7 -3.290 6.937 6.800 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.504 8.442 5.928 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.218 7.978 5.874 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.487 8.308 3.391 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.478 5.947 2.910 1.00 0.00 H new ATOM 0 H2'' DC B 7 -0.931 6.449 2.257 1.00 0.00 H new ATOM 0 H1' DC B 7 0.289 5.610 4.140 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.177 -0.097 3.893 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.475 -0.549 3.758 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.912 2.185 4.125 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.199 4.506 4.267 1.00 0.00 H new ATOM 472 P DG B 8 -0.129 9.287 2.314 1.00 0.00 P ATOM 473 OP1 DG B 8 0.794 10.402 2.620 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.352 9.540 1.520 1.00 0.00 O ATOM 475 O5' DG B 8 0.712 8.124 1.586 1.00 0.00 O ATOM 476 C5' DG B 8 1.918 7.636 2.140 1.00 0.00 C ATOM 477 C4' DG B 8 2.477 6.494 1.287 1.00 0.00 C ATOM 478 O4' DG B 8 1.740 5.311 1.549 1.00 0.00 O ATOM 479 C3' DG B 8 2.412 6.753 -0.229 1.00 0.00 C ATOM 480 O3' DG B 8 3.639 6.427 -0.851 1.00 0.00 O ATOM 481 C2' DG B 8 1.328 5.776 -0.673 1.00 0.00 C ATOM 482 C1' DG B 8 1.566 4.647 0.320 1.00 0.00 C ATOM 483 N9 DG B 8 0.471 3.654 0.389 1.00 0.00 N ATOM 484 C8 DG B 8 -0.889 3.845 0.378 1.00 0.00 C ATOM 485 N7 DG B 8 -1.579 2.746 0.520 1.00 0.00 N ATOM 486 C5 DG B 8 -0.612 1.750 0.623 1.00 0.00 C ATOM 487 C6 DG B 8 -0.747 0.336 0.791 1.00 0.00 C ATOM 488 O6 DG B 8 -1.781 -0.321 0.894 1.00 0.00 O ATOM 489 N1 DG B 8 0.483 -0.318 0.835 1.00 0.00 N ATOM 490 C2 DG B 8 1.706 0.315 0.718 1.00 0.00 C ATOM 491 N2 DG B 8 2.799 -0.454 0.744 1.00 0.00 N ATOM 492 N3 DG B 8 1.836 1.642 0.577 1.00 0.00 N ATOM 493 C4 DG B 8 0.645 2.299 0.537 1.00 0.00 C ATOM 0 H5' DG B 8 1.742 7.286 3.157 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.649 8.442 2.203 1.00 0.00 H new ATOM 0 H4' DG B 8 3.528 6.403 1.562 1.00 0.00 H new ATOM 0 H3' DG B 8 2.212 7.794 -0.483 1.00 0.00 H new ATOM 0 H2' DG B 8 0.327 6.199 -0.591 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.454 5.455 -1.707 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.573 6.598 -1.814 1.00 0.00 H new ATOM 0 H1' DG B 8 2.424 4.045 0.023 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.346 4.817 0.262 1.00 0.00 H new ATOM 0 H1 DG B 8 0.480 -1.330 0.962 1.00 0.00 H new ATOM 0 H21 DG B 8 3.723 -0.030 0.661 1.00 0.00 H new ATOM 0 H22 DG B 8 2.709 -1.465 0.847 1.00 0.00 H new TER 506 DG B 8