USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=5 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= -1.66! (180deg=-1.66!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 26:sc= 0.00218 USER MOD Single : B 4 DT C7 :methyl -30:sc= -1.62 (180deg=-1.76!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 4.468 -8.859 -1.868 1.00 0.00 O ATOM 2 C5' DC A 1 4.217 -9.299 -0.550 1.00 0.00 C ATOM 3 C4' DC A 1 4.400 -8.142 0.438 1.00 0.00 C ATOM 4 O4' DC A 1 3.420 -7.135 0.222 1.00 0.00 O ATOM 5 C3' DC A 1 4.179 -8.577 1.895 1.00 0.00 C ATOM 6 O3' DC A 1 5.269 -9.141 2.620 1.00 0.00 O ATOM 7 C2' DC A 1 3.587 -7.310 2.558 1.00 0.00 C ATOM 8 C1' DC A 1 3.374 -6.331 1.388 1.00 0.00 C ATOM 9 N1 DC A 1 2.137 -5.508 1.499 1.00 0.00 N ATOM 10 C2 DC A 1 2.185 -4.108 1.466 1.00 0.00 C ATOM 11 O2 DC A 1 3.246 -3.501 1.350 1.00 0.00 O ATOM 12 N3 DC A 1 1.011 -3.413 1.567 1.00 0.00 N ATOM 13 C4 DC A 1 -0.165 -4.050 1.704 1.00 0.00 C ATOM 14 N4 DC A 1 -1.289 -3.333 1.812 1.00 0.00 N ATOM 15 C5 DC A 1 -0.235 -5.483 1.705 1.00 0.00 C ATOM 16 C6 DC A 1 0.939 -6.146 1.595 1.00 0.00 C ATOM 0 H5' DC A 1 4.894 -10.114 -0.296 1.00 0.00 H new ATOM 0 H5'' DC A 1 3.203 -9.692 -0.477 1.00 0.00 H new ATOM 0 H4' DC A 1 5.419 -7.789 0.276 1.00 0.00 H new ATOM 0 H3' DC A 1 3.528 -9.451 1.909 1.00 0.00 H new ATOM 0 H2' DC A 1 2.649 -7.530 3.068 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.267 -6.897 3.303 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.350 -9.607 -2.491 1.00 0.00 H new ATOM 0 H1' DC A 1 4.150 -5.566 1.375 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.187 -3.805 1.916 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.248 -2.314 1.790 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.176 -6.005 1.789 1.00 0.00 H new ATOM 0 H6 DC A 1 0.925 -7.226 1.583 1.00 0.00 H new ATOM 29 P DG A 2 6.781 -8.545 2.706 1.00 0.00 P ATOM 30 OP1 DG A 2 7.377 -8.595 1.353 1.00 0.00 O ATOM 31 OP2 DG A 2 7.458 -9.264 3.809 1.00 0.00 O ATOM 32 O5' DG A 2 6.661 -6.996 3.162 1.00 0.00 O ATOM 33 C5' DG A 2 7.166 -5.951 2.352 1.00 0.00 C ATOM 34 C4' DG A 2 7.154 -4.592 3.034 1.00 0.00 C ATOM 35 O4' DG A 2 5.835 -4.075 2.996 1.00 0.00 O ATOM 36 C3' DG A 2 7.643 -4.593 4.492 1.00 0.00 C ATOM 37 O3' DG A 2 8.589 -3.550 4.601 1.00 0.00 O ATOM 38 C2' DG A 2 6.305 -4.388 5.200 1.00 0.00 C ATOM 39 C1' DG A 2 5.614 -3.445 4.229 1.00 0.00 C ATOM 40 N9 DG A 2 4.167 -3.299 4.505 1.00 0.00 N ATOM 41 C8 DG A 2 3.297 -4.263 4.946 1.00 0.00 C ATOM 42 N7 DG A 2 2.046 -3.905 4.940 1.00 0.00 N ATOM 43 C5 DG A 2 2.088 -2.586 4.508 1.00 0.00 C ATOM 44 C6 DG A 2 1.021 -1.665 4.303 1.00 0.00 C ATOM 45 O6 DG A 2 -0.182 -1.897 4.339 1.00 0.00 O ATOM 46 N1 DG A 2 1.473 -0.375 4.034 1.00 0.00 N ATOM 47 C2 DG A 2 2.805 -0.038 3.874 1.00 0.00 C ATOM 48 N2 DG A 2 3.078 1.247 3.623 1.00 0.00 N ATOM 49 N3 DG A 2 3.807 -0.932 3.957 1.00 0.00 N ATOM 50 C4 DG A 2 3.386 -2.184 4.293 1.00 0.00 C ATOM 0 H5' DG A 2 6.576 -5.894 1.437 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.188 -6.192 2.058 1.00 0.00 H new ATOM 0 H4' DG A 2 7.861 -3.973 2.481 1.00 0.00 H new ATOM 0 H3' DG A 2 8.164 -5.461 4.897 1.00 0.00 H new ATOM 0 H2' DG A 2 5.758 -5.322 5.330 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.424 -3.948 6.190 1.00 0.00 H new ATOM 0 H1' DG A 2 5.997 -2.426 4.286 1.00 0.00 H new ATOM 0 H8 DG A 2 3.624 -5.240 5.272 1.00 0.00 H new ATOM 0 H1 DG A 2 0.778 0.367 3.950 1.00 0.00 H new ATOM 0 H21 DG A 2 4.044 1.548 3.497 1.00 0.00 H new ATOM 0 H22 DG A 2 2.320 1.926 3.558 1.00 0.00 H new ATOM 62 P DC A 3 9.125 -2.981 6.001 1.00 0.00 P ATOM 63 OP1 DC A 3 10.562 -2.656 5.861 1.00 0.00 O ATOM 64 OP2 DC A 3 8.664 -3.848 7.108 1.00 0.00 O ATOM 65 O5' DC A 3 8.283 -1.613 6.020 1.00 0.00 O ATOM 66 C5' DC A 3 8.520 -0.611 5.048 1.00 0.00 C ATOM 67 C4' DC A 3 7.776 0.668 5.414 1.00 0.00 C ATOM 68 O4' DC A 3 6.382 0.447 5.334 1.00 0.00 O ATOM 69 C3' DC A 3 8.123 1.147 6.831 1.00 0.00 C ATOM 70 O3' DC A 3 8.618 2.471 6.725 1.00 0.00 O ATOM 71 C2' DC A 3 6.808 0.998 7.577 1.00 0.00 C ATOM 72 C1' DC A 3 5.762 1.004 6.472 1.00 0.00 C ATOM 73 N1 DC A 3 4.630 0.129 6.868 1.00 0.00 N ATOM 74 C2 DC A 3 3.352 0.661 7.024 1.00 0.00 C ATOM 75 O2 DC A 3 3.122 1.854 6.841 1.00 0.00 O ATOM 76 N3 DC A 3 2.346 -0.183 7.389 1.00 0.00 N ATOM 77 C4 DC A 3 2.570 -1.482 7.635 1.00 0.00 C ATOM 78 N4 DC A 3 1.539 -2.277 7.931 1.00 0.00 N ATOM 79 C5 DC A 3 3.888 -2.030 7.540 1.00 0.00 C ATOM 80 C6 DC A 3 4.866 -1.200 7.126 1.00 0.00 C ATOM 0 H5' DC A 3 8.195 -0.961 4.068 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.589 -0.410 4.976 1.00 0.00 H new ATOM 0 H4' DC A 3 8.083 1.439 4.708 1.00 0.00 H new ATOM 0 H3' DC A 3 8.901 0.598 7.362 1.00 0.00 H new ATOM 0 H2' DC A 3 6.777 0.073 8.152 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.652 1.816 8.280 1.00 0.00 H new ATOM 0 H1' DC A 3 5.391 2.011 6.282 1.00 0.00 H new ATOM 0 H41 DC A 3 1.696 -3.267 8.120 1.00 0.00 H new ATOM 0 H42 DC A 3 0.594 -1.894 7.968 1.00 0.00 H new ATOM 0 H5 DC A 3 4.090 -3.061 7.789 1.00 0.00 H new ATOM 0 H6 DC A 3 5.864 -1.591 6.993 1.00 0.00 H new ATOM 92 P DT A 4 9.009 3.370 8.003 1.00 0.00 P ATOM 93 OP1 DT A 4 9.834 4.505 7.535 1.00 0.00 O ATOM 94 OP2 DT A 4 9.512 2.481 9.073 1.00 0.00 O ATOM 95 O5' DT A 4 7.570 3.937 8.447 1.00 0.00 O ATOM 96 C5' DT A 4 6.763 4.694 7.563 1.00 0.00 C ATOM 97 C4' DT A 4 5.503 5.172 8.291 1.00 0.00 C ATOM 98 O4' DT A 4 4.633 4.074 8.497 1.00 0.00 O ATOM 99 C3' DT A 4 5.808 5.812 9.651 1.00 0.00 C ATOM 100 O3' DT A 4 5.353 7.154 9.684 1.00 0.00 O ATOM 101 C2' DT A 4 5.093 4.885 10.636 1.00 0.00 C ATOM 102 C1' DT A 4 4.043 4.186 9.775 1.00 0.00 C ATOM 103 N1 DT A 4 3.653 2.821 10.242 1.00 0.00 N ATOM 104 C2 DT A 4 2.296 2.494 10.283 1.00 0.00 C ATOM 105 O2 DT A 4 1.397 3.326 10.187 1.00 0.00 O ATOM 106 N3 DT A 4 1.990 1.150 10.441 1.00 0.00 N ATOM 107 C4 DT A 4 2.897 0.107 10.559 1.00 0.00 C ATOM 108 O4 DT A 4 2.487 -1.044 10.698 1.00 0.00 O ATOM 109 C5 DT A 4 4.291 0.519 10.503 1.00 0.00 C ATOM 110 C7 DT A 4 5.404 -0.523 10.516 1.00 0.00 C ATOM 111 C6 DT A 4 4.607 1.833 10.364 1.00 0.00 C ATOM 0 H5' DT A 4 6.488 4.089 6.699 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.324 5.550 7.187 1.00 0.00 H new ATOM 0 H4' DT A 4 5.042 5.932 7.660 1.00 0.00 H new ATOM 0 H3' DT A 4 6.869 5.894 9.887 1.00 0.00 H new ATOM 0 H2' DT A 4 5.782 4.171 11.086 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.635 5.444 11.452 1.00 0.00 H new ATOM 0 H1' DT A 4 3.123 4.769 9.806 1.00 0.00 H new ATOM 0 H3 DT A 4 1.000 0.905 10.474 1.00 0.00 H new ATOM 0 H71 DT A 4 6.263 -0.145 9.962 1.00 0.00 H new ATOM 0 H72 DT A 4 5.698 -0.729 11.545 1.00 0.00 H new ATOM 0 H73 DT A 4 5.048 -1.442 10.050 1.00 0.00 H new ATOM 0 H6 DT A 4 5.649 2.116 10.348 1.00 0.00 H new ATOM 124 P DA A 5 5.530 8.094 10.989 1.00 0.00 P ATOM 125 OP1 DA A 5 5.671 9.497 10.539 1.00 0.00 O ATOM 126 OP2 DA A 5 6.550 7.498 11.880 1.00 0.00 O ATOM 127 O5' DA A 5 4.087 7.925 11.683 1.00 0.00 O ATOM 128 C5' DA A 5 2.937 8.446 11.051 1.00 0.00 C ATOM 129 C4' DA A 5 1.658 8.029 11.755 1.00 0.00 C ATOM 130 O4' DA A 5 1.540 6.625 11.804 1.00 0.00 O ATOM 131 C3' DA A 5 1.547 8.584 13.180 1.00 0.00 C ATOM 132 O3' DA A 5 0.437 9.459 13.164 1.00 0.00 O ATOM 133 C2' DA A 5 1.493 7.323 14.029 1.00 0.00 C ATOM 134 C1' DA A 5 0.981 6.280 13.051 1.00 0.00 C ATOM 135 N9 DA A 5 1.412 4.900 13.354 1.00 0.00 N ATOM 136 C8 DA A 5 2.681 4.406 13.534 1.00 0.00 C ATOM 137 N7 DA A 5 2.745 3.104 13.614 1.00 0.00 N ATOM 138 C5 DA A 5 1.420 2.702 13.477 1.00 0.00 C ATOM 139 C6 DA A 5 0.781 1.442 13.463 1.00 0.00 C ATOM 140 N6 DA A 5 1.436 0.279 13.578 1.00 0.00 N ATOM 141 N1 DA A 5 -0.557 1.414 13.319 1.00 0.00 N ATOM 142 C2 DA A 5 -1.223 2.557 13.169 1.00 0.00 C ATOM 143 N3 DA A 5 -0.740 3.790 13.129 1.00 0.00 N ATOM 144 C4 DA A 5 0.606 3.794 13.302 1.00 0.00 C ATOM 0 H5' DA A 5 2.908 8.106 10.016 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.999 9.534 11.027 1.00 0.00 H new ATOM 0 H4' DA A 5 0.847 8.454 11.163 1.00 0.00 H new ATOM 0 H3' DA A 5 2.349 9.197 13.590 1.00 0.00 H new ATOM 0 H2' DA A 5 2.474 7.059 14.424 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.826 7.439 14.883 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.108 6.283 13.089 1.00 0.00 H new ATOM 0 H8 DA A 5 3.552 5.041 13.603 1.00 0.00 H new ATOM 0 H61 DA A 5 0.920 -0.601 13.561 1.00 0.00 H new ATOM 0 H62 DA A 5 2.451 0.273 13.682 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.294 2.468 13.067 1.00 0.00 H new ATOM 156 P DG A 6 -0.110 10.205 14.470 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.851 11.418 14.058 1.00 0.00 O ATOM 158 OP2 DG A 6 0.968 10.290 15.480 1.00 0.00 O ATOM 159 O5' DG A 6 -1.156 9.085 14.916 1.00 0.00 O ATOM 160 C5' DG A 6 -2.286 8.773 14.124 1.00 0.00 C ATOM 161 C4' DG A 6 -3.013 7.595 14.767 1.00 0.00 C ATOM 162 O4' DG A 6 -2.267 6.388 14.583 1.00 0.00 O ATOM 163 C3' DG A 6 -3.158 7.844 16.279 1.00 0.00 C ATOM 164 O3' DG A 6 -4.489 7.683 16.723 1.00 0.00 O ATOM 165 C2' DG A 6 -2.195 6.794 16.799 1.00 0.00 C ATOM 166 C1' DG A 6 -2.348 5.675 15.797 1.00 0.00 C ATOM 167 N9 DG A 6 -1.324 4.632 16.044 1.00 0.00 N ATOM 168 C8 DG A 6 0.016 4.771 16.321 1.00 0.00 C ATOM 169 N7 DG A 6 0.638 3.652 16.553 1.00 0.00 N ATOM 170 C5 DG A 6 -0.365 2.698 16.464 1.00 0.00 C ATOM 171 C6 DG A 6 -0.295 1.289 16.650 1.00 0.00 C ATOM 172 O6 DG A 6 0.709 0.609 16.835 1.00 0.00 O ATOM 173 N1 DG A 6 -1.548 0.686 16.603 1.00 0.00 N ATOM 174 C2 DG A 6 -2.734 1.356 16.371 1.00 0.00 C ATOM 175 N2 DG A 6 -3.859 0.635 16.417 1.00 0.00 N ATOM 176 N3 DG A 6 -2.794 2.678 16.150 1.00 0.00 N ATOM 177 C4 DG A 6 -1.579 3.291 16.212 1.00 0.00 C ATOM 0 H5' DG A 6 -1.980 8.521 13.109 1.00 0.00 H new ATOM 0 H5'' DG A 6 -2.949 9.635 14.053 1.00 0.00 H new ATOM 0 H4' DG A 6 -3.992 7.497 14.298 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.935 8.855 16.619 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.171 7.167 16.836 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.454 6.472 17.808 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.266 5.088 15.830 1.00 0.00 H new ATOM 0 H8 DG A 6 0.511 5.730 16.344 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.594 -0.322 16.750 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.760 1.084 16.252 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.816 -0.364 16.617 1.00 0.00 H new ATOM 189 P DC A 7 -4.902 7.834 18.284 1.00 0.00 P ATOM 190 OP1 DC A 7 -6.190 8.559 18.356 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.740 8.316 19.063 1.00 0.00 O ATOM 192 O5' DC A 7 -5.163 6.288 18.656 1.00 0.00 O ATOM 193 C5' DC A 7 -6.082 5.553 17.879 1.00 0.00 C ATOM 194 C4' DC A 7 -6.412 4.162 18.408 1.00 0.00 C ATOM 195 O4' DC A 7 -5.322 3.290 18.191 1.00 0.00 O ATOM 196 C3' DC A 7 -6.808 4.150 19.884 1.00 0.00 C ATOM 197 O3' DC A 7 -8.003 3.399 20.024 1.00 0.00 O ATOM 198 C2' DC A 7 -5.579 3.514 20.502 1.00 0.00 C ATOM 199 C1' DC A 7 -5.017 2.630 19.396 1.00 0.00 C ATOM 200 N1 DC A 7 -3.539 2.547 19.512 1.00 0.00 N ATOM 201 C2 DC A 7 -2.907 1.323 19.753 1.00 0.00 C ATOM 202 O2 DC A 7 -3.545 0.280 19.879 1.00 0.00 O ATOM 203 N3 DC A 7 -1.544 1.307 19.847 1.00 0.00 N ATOM 204 C4 DC A 7 -0.825 2.435 19.725 1.00 0.00 C ATOM 205 N4 DC A 7 0.507 2.370 19.781 1.00 0.00 N ATOM 206 C5 DC A 7 -1.459 3.694 19.461 1.00 0.00 C ATOM 207 C6 DC A 7 -2.800 3.693 19.350 1.00 0.00 C ATOM 0 H5' DC A 7 -5.683 5.455 16.869 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.007 6.124 17.802 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.284 3.818 17.852 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.039 5.107 20.351 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.856 4.267 20.815 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.835 2.931 21.386 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.432 1.624 19.449 1.00 0.00 H new ATOM 0 H41 DC A 7 1.063 3.220 19.690 1.00 0.00 H new ATOM 0 H42 DC A 7 0.968 1.470 19.915 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.885 4.603 19.356 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.309 4.619 19.127 1.00 0.00 H new ATOM 219 P DG A 8 -8.785 3.255 21.429 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.136 2.716 21.155 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.637 4.516 22.190 1.00 0.00 O ATOM 222 O5' DG A 8 -7.932 2.114 22.174 1.00 0.00 O ATOM 223 C5' DG A 8 -7.820 0.813 21.633 1.00 0.00 C ATOM 224 C4' DG A 8 -6.901 -0.057 22.496 1.00 0.00 C ATOM 225 O4' DG A 8 -5.548 0.225 22.175 1.00 0.00 O ATOM 226 C3' DG A 8 -7.063 0.151 24.014 1.00 0.00 C ATOM 227 O3' DG A 8 -7.188 -1.086 24.686 1.00 0.00 O ATOM 228 C2' DG A 8 -5.749 0.820 24.397 1.00 0.00 C ATOM 229 C1' DG A 8 -4.815 0.187 23.377 1.00 0.00 C ATOM 230 N9 DG A 8 -3.514 0.878 23.251 1.00 0.00 N ATOM 231 C8 DG A 8 -3.236 2.221 23.206 1.00 0.00 C ATOM 232 N7 DG A 8 -1.969 2.493 23.044 1.00 0.00 N ATOM 233 C5 DG A 8 -1.359 1.242 22.981 1.00 0.00 C ATOM 234 C6 DG A 8 0.014 0.882 22.802 1.00 0.00 C ATOM 235 O6 DG A 8 0.982 1.625 22.659 1.00 0.00 O ATOM 236 N1 DG A 8 0.209 -0.498 22.800 1.00 0.00 N ATOM 237 C2 DG A 8 -0.800 -1.428 22.962 1.00 0.00 C ATOM 238 N2 DG A 8 -0.454 -2.718 22.952 1.00 0.00 N ATOM 239 N3 DG A 8 -2.089 -1.094 23.113 1.00 0.00 N ATOM 240 C4 DG A 8 -2.301 0.250 23.111 1.00 0.00 C ATOM 0 H5' DG A 8 -7.427 0.869 20.618 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.807 0.355 21.568 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.184 -1.086 22.273 1.00 0.00 H new ATOM 0 H3' DG A 8 -7.951 0.728 24.275 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.792 1.905 24.303 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.454 0.600 25.423 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.288 -0.927 25.648 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.533 -0.823 23.674 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.996 2.983 23.296 1.00 0.00 H new ATOM 0 H1 DG A 8 1.160 -0.844 22.670 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.167 -3.438 23.068 1.00 0.00 H new ATOM 0 H22 DG A 8 0.523 -2.983 22.828 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 8.216 -5.604 24.201 1.00 0.00 O ATOM 255 C5' DC B 1 7.285 -6.625 24.496 1.00 0.00 C ATOM 256 C4' DC B 1 6.079 -6.552 23.554 1.00 0.00 C ATOM 257 O4' DC B 1 5.422 -5.307 23.659 1.00 0.00 O ATOM 258 C3' DC B 1 6.412 -6.799 22.078 1.00 0.00 C ATOM 259 O3' DC B 1 6.069 -8.159 21.843 1.00 0.00 O ATOM 260 C2' DC B 1 5.514 -5.749 21.371 1.00 0.00 C ATOM 261 C1' DC B 1 4.648 -5.157 22.491 1.00 0.00 C ATOM 262 N1 DC B 1 4.289 -3.733 22.275 1.00 0.00 N ATOM 263 C2 DC B 1 2.957 -3.313 22.252 1.00 0.00 C ATOM 264 O2 DC B 1 2.030 -4.112 22.366 1.00 0.00 O ATOM 265 N3 DC B 1 2.700 -1.979 22.099 1.00 0.00 N ATOM 266 C4 DC B 1 3.700 -1.090 21.967 1.00 0.00 C ATOM 267 N4 DC B 1 3.401 0.203 21.799 1.00 0.00 N ATOM 268 C5 DC B 1 5.074 -1.501 22.054 1.00 0.00 C ATOM 269 C6 DC B 1 5.299 -2.823 22.214 1.00 0.00 C ATOM 0 H5' DC B 1 6.951 -6.531 25.529 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.766 -7.599 24.404 1.00 0.00 H new ATOM 0 H4' DC B 1 5.430 -7.363 23.884 1.00 0.00 H new ATOM 0 H3' DC B 1 7.441 -6.681 21.739 1.00 0.00 H new ATOM 0 H2' DC B 1 6.113 -4.979 20.885 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.900 -6.210 20.598 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.753 -4.852 23.776 1.00 0.00 H new ATOM 0 H1' DC B 1 3.688 -5.671 22.542 1.00 0.00 H new ATOM 0 H41 DC B 1 4.148 0.890 21.697 1.00 0.00 H new ATOM 0 H42 DC B 1 2.426 0.502 21.773 1.00 0.00 H new ATOM 0 H5 DC B 1 5.885 -0.790 21.995 1.00 0.00 H new ATOM 0 H6 DC B 1 6.318 -3.171 22.297 1.00 0.00 H new ATOM 282 P DG B 2 5.762 -8.785 20.392 1.00 0.00 P ATOM 283 OP1 DG B 2 5.823 -10.259 20.507 1.00 0.00 O ATOM 284 OP2 DG B 2 6.599 -8.088 19.390 1.00 0.00 O ATOM 285 O5' DG B 2 4.220 -8.364 20.154 1.00 0.00 O ATOM 286 C5' DG B 2 3.206 -8.633 21.108 1.00 0.00 C ATOM 287 C4' DG B 2 1.834 -8.238 20.579 1.00 0.00 C ATOM 288 O4' DG B 2 1.684 -6.836 20.727 1.00 0.00 O ATOM 289 C3' DG B 2 1.619 -8.610 19.106 1.00 0.00 C ATOM 290 O3' DG B 2 0.331 -9.181 18.994 1.00 0.00 O ATOM 291 C2' DG B 2 1.815 -7.234 18.487 1.00 0.00 C ATOM 292 C1' DG B 2 1.137 -6.358 19.528 1.00 0.00 C ATOM 293 N9 DG B 2 1.441 -4.926 19.326 1.00 0.00 N ATOM 294 C8 DG B 2 2.638 -4.382 18.950 1.00 0.00 C ATOM 295 N7 DG B 2 2.665 -3.081 18.942 1.00 0.00 N ATOM 296 C5 DG B 2 1.374 -2.729 19.318 1.00 0.00 C ATOM 297 C6 DG B 2 0.799 -1.436 19.500 1.00 0.00 C ATOM 298 O6 DG B 2 1.368 -0.350 19.459 1.00 0.00 O ATOM 299 N1 DG B 2 -0.568 -1.492 19.751 1.00 0.00 N ATOM 300 C2 DG B 2 -1.282 -2.665 19.915 1.00 0.00 C ATOM 301 N2 DG B 2 -2.593 -2.549 20.151 1.00 0.00 N ATOM 302 N3 DG B 2 -0.721 -3.885 19.839 1.00 0.00 N ATOM 303 C4 DG B 2 0.603 -3.850 19.524 1.00 0.00 C ATOM 0 H5' DG B 2 3.415 -8.087 22.028 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.211 -9.694 21.358 1.00 0.00 H new ATOM 0 H4' DG B 2 1.091 -8.790 21.155 1.00 0.00 H new ATOM 0 H3' DG B 2 2.261 -9.353 18.632 1.00 0.00 H new ATOM 0 H2' DG B 2 2.868 -6.984 18.358 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.346 -7.151 17.507 1.00 0.00 H new ATOM 0 H1' DG B 2 0.049 -6.412 19.493 1.00 0.00 H new ATOM 0 H8 DG B 2 3.493 -4.984 18.681 1.00 0.00 H new ATOM 0 H1 DG B 2 -1.077 -0.611 19.818 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.164 -3.384 20.279 1.00 0.00 H new ATOM 0 H22 DG B 2 -3.022 -1.625 20.203 1.00 0.00 H new ATOM 315 P DC B 3 -0.394 -9.436 17.587 1.00 0.00 P ATOM 316 OP1 DC B 3 -1.187 -10.682 17.681 1.00 0.00 O ATOM 317 OP2 DC B 3 0.578 -9.257 16.485 1.00 0.00 O ATOM 318 O5' DC B 3 -1.396 -8.181 17.607 1.00 0.00 O ATOM 319 C5' DC B 3 -2.460 -8.119 18.539 1.00 0.00 C ATOM 320 C4' DC B 3 -3.386 -6.954 18.196 1.00 0.00 C ATOM 321 O4' DC B 3 -2.684 -5.730 18.301 1.00 0.00 O ATOM 322 C3' DC B 3 -3.954 -7.070 16.770 1.00 0.00 C ATOM 323 O3' DC B 3 -5.354 -7.318 16.669 1.00 0.00 O ATOM 324 C2' DC B 3 -3.444 -5.816 16.075 1.00 0.00 C ATOM 325 C1' DC B 3 -3.027 -4.892 17.215 1.00 0.00 C ATOM 326 N1 DC B 3 -1.825 -4.109 16.822 1.00 0.00 N ATOM 327 C2 DC B 3 -1.884 -2.717 16.745 1.00 0.00 C ATOM 328 O2 DC B 3 -2.918 -2.096 16.970 1.00 0.00 O ATOM 329 N3 DC B 3 -0.748 -2.043 16.409 1.00 0.00 N ATOM 330 C4 DC B 3 0.403 -2.680 16.158 1.00 0.00 C ATOM 331 N4 DC B 3 1.493 -1.962 15.874 1.00 0.00 N ATOM 332 C5 DC B 3 0.483 -4.108 16.221 1.00 0.00 C ATOM 333 C6 DC B 3 -0.646 -4.767 16.568 1.00 0.00 C ATOM 0 H5' DC B 3 -2.065 -7.996 19.547 1.00 0.00 H new ATOM 0 H5'' DC B 3 -3.019 -9.055 18.528 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.214 -6.984 18.904 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.607 -7.975 16.272 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.604 -6.040 15.418 1.00 0.00 H new ATOM 0 H2'' DC B 3 -4.219 -5.361 15.458 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.829 -4.198 17.466 1.00 0.00 H new ATOM 0 H41 DC B 3 2.377 -2.432 15.681 1.00 0.00 H new ATOM 0 H42 DC B 3 1.441 -0.944 15.851 1.00 0.00 H new ATOM 0 H5 DC B 3 1.401 -4.634 16.002 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.620 -5.844 16.648 1.00 0.00 H new ATOM 345 P DT B 4 -6.530 -6.325 17.188 1.00 0.00 P ATOM 346 OP1 DT B 4 -6.248 -5.911 18.580 1.00 0.00 O ATOM 347 OP2 DT B 4 -7.826 -6.967 16.874 1.00 0.00 O ATOM 348 O5' DT B 4 -6.393 -5.030 16.244 1.00 0.00 O ATOM 349 C5' DT B 4 -6.804 -3.764 16.705 1.00 0.00 C ATOM 350 C4' DT B 4 -6.643 -2.679 15.647 1.00 0.00 C ATOM 351 O4' DT B 4 -5.272 -2.477 15.377 1.00 0.00 O ATOM 352 C3' DT B 4 -7.359 -2.983 14.333 1.00 0.00 C ATOM 353 O3' DT B 4 -8.497 -2.158 14.159 1.00 0.00 O ATOM 354 C2' DT B 4 -6.250 -2.755 13.307 1.00 0.00 C ATOM 355 C1' DT B 4 -5.178 -1.979 14.067 1.00 0.00 C ATOM 356 N1 DT B 4 -3.787 -2.155 13.562 1.00 0.00 N ATOM 357 C2 DT B 4 -2.987 -1.021 13.435 1.00 0.00 C ATOM 358 O2 DT B 4 -3.426 0.125 13.477 1.00 0.00 O ATOM 359 N3 DT B 4 -1.632 -1.244 13.251 1.00 0.00 N ATOM 360 C4 DT B 4 -1.005 -2.475 13.153 1.00 0.00 C ATOM 361 O4 DT B 4 0.216 -2.527 13.017 1.00 0.00 O ATOM 362 C5 DT B 4 -1.910 -3.609 13.228 1.00 0.00 C ATOM 363 C7 DT B 4 -1.369 -5.025 13.111 1.00 0.00 C ATOM 364 C6 DT B 4 -3.239 -3.411 13.425 1.00 0.00 C ATOM 0 H5' DT B 4 -6.223 -3.496 17.588 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.848 -3.814 17.014 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.105 -1.784 16.064 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.780 -3.986 14.262 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.861 -3.700 12.927 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.614 -2.191 12.448 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.357 -0.909 13.963 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.037 -0.419 13.181 1.00 0.00 H new ATOM 0 H71 DT B 4 -0.480 -5.024 12.481 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.111 -5.399 14.102 1.00 0.00 H new ATOM 0 H73 DT B 4 -2.128 -5.669 12.666 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.891 -4.271 13.476 1.00 0.00 H new ATOM 377 P DA B 5 -9.347 -2.146 12.784 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.728 -1.711 13.089 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.114 -3.417 12.062 1.00 0.00 O ATOM 380 O5' DA B 5 -8.598 -0.960 11.988 1.00 0.00 O ATOM 381 C5' DA B 5 -8.694 0.369 12.451 1.00 0.00 C ATOM 382 C4' DA B 5 -7.849 1.362 11.659 1.00 0.00 C ATOM 383 O4' DA B 5 -6.485 0.983 11.712 1.00 0.00 O ATOM 384 C3' DA B 5 -8.277 1.403 10.185 1.00 0.00 C ATOM 385 O3' DA B 5 -8.130 2.678 9.606 1.00 0.00 O ATOM 386 C2' DA B 5 -7.210 0.543 9.551 1.00 0.00 C ATOM 387 C1' DA B 5 -6.006 0.980 10.386 1.00 0.00 C ATOM 388 N9 DA B 5 -4.854 0.072 10.255 1.00 0.00 N ATOM 389 C8 DA B 5 -4.843 -1.291 10.169 1.00 0.00 C ATOM 390 N7 DA B 5 -3.645 -1.815 10.124 1.00 0.00 N ATOM 391 C5 DA B 5 -2.799 -0.707 10.173 1.00 0.00 C ATOM 392 C6 DA B 5 -1.394 -0.543 10.164 1.00 0.00 C ATOM 393 N6 DA B 5 -0.527 -1.562 10.124 1.00 0.00 N ATOM 394 N1 DA B 5 -0.896 0.709 10.208 1.00 0.00 N ATOM 395 C2 DA B 5 -1.738 1.737 10.277 1.00 0.00 C ATOM 396 N3 DA B 5 -3.063 1.717 10.322 1.00 0.00 N ATOM 397 C4 DA B 5 -3.537 0.447 10.261 1.00 0.00 C ATOM 0 H5' DA B 5 -8.390 0.402 13.497 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.737 0.682 12.412 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.993 2.346 12.104 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.319 1.107 10.062 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.420 -0.522 9.644 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.081 0.751 8.489 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.634 1.950 10.057 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.745 -1.885 10.141 1.00 0.00 H new ATOM 0 H61 DA B 5 0.476 -1.378 10.120 1.00 0.00 H new ATOM 0 H62 DA B 5 -0.870 -2.522 10.098 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.282 2.716 10.299 1.00 0.00 H new ATOM 409 P DG B 6 -9.240 3.824 9.740 1.00 0.00 P ATOM 410 OP1 DG B 6 -9.442 4.154 11.168 1.00 0.00 O ATOM 411 OP2 DG B 6 -10.395 3.471 8.885 1.00 0.00 O ATOM 412 O5' DG B 6 -8.424 5.016 9.042 1.00 0.00 O ATOM 413 C5' DG B 6 -7.162 5.434 9.531 1.00 0.00 C ATOM 414 C4' DG B 6 -5.998 5.179 8.556 1.00 0.00 C ATOM 415 O4' DG B 6 -5.217 3.999 8.765 1.00 0.00 O ATOM 416 C3' DG B 6 -6.340 5.202 7.058 1.00 0.00 C ATOM 417 O3' DG B 6 -6.043 6.477 6.515 1.00 0.00 O ATOM 418 C2' DG B 6 -5.542 4.024 6.522 1.00 0.00 C ATOM 419 C1' DG B 6 -4.476 3.788 7.567 1.00 0.00 C ATOM 420 N9 DG B 6 -3.820 2.470 7.372 1.00 0.00 N ATOM 421 C8 DG B 6 -4.366 1.233 7.117 1.00 0.00 C ATOM 422 N7 DG B 6 -3.496 0.279 6.964 1.00 0.00 N ATOM 423 C5 DG B 6 -2.277 0.930 7.072 1.00 0.00 C ATOM 424 C6 DG B 6 -0.956 0.410 6.975 1.00 0.00 C ATOM 425 O6 DG B 6 -0.624 -0.766 6.875 1.00 0.00 O ATOM 426 N1 DG B 6 0.011 1.409 7.005 1.00 0.00 N ATOM 427 C2 DG B 6 -0.255 2.755 7.155 1.00 0.00 C ATOM 428 N2 DG B 6 0.787 3.592 7.139 1.00 0.00 N ATOM 429 N3 DG B 6 -1.498 3.240 7.297 1.00 0.00 N ATOM 430 C4 DG B 6 -2.463 2.280 7.246 1.00 0.00 C ATOM 0 H5' DG B 6 -6.957 4.917 10.468 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.206 6.499 9.758 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.409 6.057 8.822 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.391 5.081 6.795 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.172 3.144 6.390 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.103 4.250 5.550 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.602 4.439 7.547 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.431 1.068 7.049 1.00 0.00 H new ATOM 0 H1 DG B 6 0.987 1.127 6.909 1.00 0.00 H new ATOM 0 H21 DG B 6 0.637 4.595 7.246 1.00 0.00 H new ATOM 0 H22 DG B 6 1.732 3.227 7.019 1.00 0.00 H new ATOM 442 P DC B 7 -6.031 6.789 4.929 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.383 8.212 4.731 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.784 5.735 4.212 1.00 0.00 O ATOM 445 O5' DC B 7 -4.459 6.607 4.615 1.00 0.00 O ATOM 446 C5' DC B 7 -3.506 7.307 5.391 1.00 0.00 C ATOM 447 C4' DC B 7 -2.085 7.230 4.834 1.00 0.00 C ATOM 448 O4' DC B 7 -1.536 5.943 5.057 1.00 0.00 O ATOM 449 C3' DC B 7 -2.031 7.578 3.349 1.00 0.00 C ATOM 450 O3' DC B 7 -1.140 8.633 2.988 1.00 0.00 O ATOM 451 C2' DC B 7 -1.749 6.214 2.756 1.00 0.00 C ATOM 452 C1' DC B 7 -1.005 5.442 3.851 1.00 0.00 C ATOM 453 N1 DC B 7 -1.310 3.986 3.789 1.00 0.00 N ATOM 454 C2 DC B 7 -0.293 3.025 3.761 1.00 0.00 C ATOM 455 O2 DC B 7 0.894 3.340 3.734 1.00 0.00 O ATOM 456 N3 DC B 7 -0.650 1.704 3.765 1.00 0.00 N ATOM 457 C4 DC B 7 -1.940 1.332 3.820 1.00 0.00 C ATOM 458 N4 DC B 7 -2.248 0.034 3.842 1.00 0.00 N ATOM 459 C5 DC B 7 -2.989 2.303 3.906 1.00 0.00 C ATOM 460 C6 DC B 7 -2.619 3.597 3.890 1.00 0.00 C ATOM 0 H5' DC B 7 -3.512 6.907 6.405 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.804 8.353 5.459 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.488 7.972 5.365 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.942 8.036 2.963 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.673 5.708 2.477 1.00 0.00 H new ATOM 0 H2'' DC B 7 -1.145 6.295 1.852 1.00 0.00 H new ATOM 0 H1' DC B 7 0.074 5.562 3.751 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.224 -0.258 3.884 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.507 -0.666 3.817 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.026 2.011 3.980 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.383 4.357 3.959 1.00 0.00 H new ATOM 472 P DG B 8 0.466 8.646 3.224 1.00 0.00 P ATOM 473 OP1 DG B 8 0.773 8.193 4.598 1.00 0.00 O ATOM 474 OP2 DG B 8 0.978 9.954 2.760 1.00 0.00 O ATOM 475 O5' DG B 8 1.001 7.531 2.201 1.00 0.00 O ATOM 476 C5' DG B 8 2.266 6.938 2.384 1.00 0.00 C ATOM 477 C4' DG B 8 2.590 5.984 1.234 1.00 0.00 C ATOM 478 O4' DG B 8 1.854 4.787 1.407 1.00 0.00 O ATOM 479 C3' DG B 8 2.258 6.534 -0.165 1.00 0.00 C ATOM 480 O3' DG B 8 3.342 6.352 -1.052 1.00 0.00 O ATOM 481 C2' DG B 8 1.086 5.656 -0.591 1.00 0.00 C ATOM 482 C1' DG B 8 1.436 4.364 0.133 1.00 0.00 C ATOM 483 N9 DG B 8 0.343 3.373 0.231 1.00 0.00 N ATOM 484 C8 DG B 8 -1.018 3.540 0.168 1.00 0.00 C ATOM 485 N7 DG B 8 -1.695 2.439 0.355 1.00 0.00 N ATOM 486 C5 DG B 8 -0.715 1.466 0.540 1.00 0.00 C ATOM 487 C6 DG B 8 -0.831 0.061 0.777 1.00 0.00 C ATOM 488 O6 DG B 8 -1.855 -0.608 0.894 1.00 0.00 O ATOM 489 N1 DG B 8 0.410 -0.569 0.875 1.00 0.00 N ATOM 490 C2 DG B 8 1.624 0.079 0.753 1.00 0.00 C ATOM 491 N2 DG B 8 2.728 -0.669 0.837 1.00 0.00 N ATOM 492 N3 DG B 8 1.735 1.400 0.551 1.00 0.00 N ATOM 493 C4 DG B 8 0.534 2.031 0.454 1.00 0.00 C ATOM 0 H5' DG B 8 2.285 6.395 3.329 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.030 7.713 2.446 1.00 0.00 H new ATOM 0 H4' DG B 8 3.668 5.829 1.273 1.00 0.00 H new ATOM 0 H3' DG B 8 2.042 7.602 -0.166 1.00 0.00 H new ATOM 0 H2' DG B 8 0.126 6.063 -0.274 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.036 5.526 -1.672 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.106 6.708 -1.934 1.00 0.00 H new ATOM 0 H1' DG B 8 2.196 3.821 -0.429 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.486 4.495 -0.019 1.00 0.00 H new ATOM 0 H1 DG B 8 0.422 -1.574 1.048 1.00 0.00 H new ATOM 0 H21 DG B 8 3.647 -0.234 0.753 1.00 0.00 H new ATOM 0 H22 DG B 8 2.652 -1.675 0.985 1.00 0.00 H new TER 506 DG B 8