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 25:sc= 0.0749 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.823 (180deg=-2.2!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 32:sc= 0.0672 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.0364 (180deg=-1.17) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.976 (180deg=-2.75!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.928 -8.557 -1.348 1.00 0.00 O ATOM 2 C5' DG A 1 2.253 -9.031 -1.498 1.00 0.00 C ATOM 3 C4' DG A 1 3.235 -8.121 -0.750 1.00 0.00 C ATOM 4 O4' DG A 1 2.988 -6.759 -1.101 1.00 0.00 O ATOM 5 C3' DG A 1 3.138 -8.244 0.777 1.00 0.00 C ATOM 6 O3' DG A 1 4.444 -8.441 1.294 1.00 0.00 O ATOM 7 C2' DG A 1 2.538 -6.914 1.164 1.00 0.00 C ATOM 8 C1' DG A 1 3.048 -5.980 0.083 1.00 0.00 C ATOM 9 N9 DG A 1 2.194 -4.775 -0.014 1.00 0.00 N ATOM 10 C8 DG A 1 0.837 -4.707 -0.190 1.00 0.00 C ATOM 11 N7 DG A 1 0.363 -3.498 -0.283 1.00 0.00 N ATOM 12 C5 DG A 1 1.486 -2.690 -0.087 1.00 0.00 C ATOM 13 C6 DG A 1 1.635 -1.261 -0.054 1.00 0.00 C ATOM 14 O6 DG A 1 0.802 -0.378 -0.257 1.00 0.00 O ATOM 15 N1 DG A 1 2.926 -0.859 0.236 1.00 0.00 N ATOM 16 C2 DG A 1 3.965 -1.714 0.452 1.00 0.00 C ATOM 17 N2 DG A 1 5.126 -1.186 0.753 1.00 0.00 N ATOM 18 N3 DG A 1 3.872 -3.042 0.395 1.00 0.00 N ATOM 19 C4 DG A 1 2.605 -3.471 0.121 1.00 0.00 C ATOM 0 H5' DG A 1 2.515 -9.068 -2.555 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.327 -10.049 -1.115 1.00 0.00 H new ATOM 0 H4' DG A 1 4.234 -8.440 -1.048 1.00 0.00 H new ATOM 0 H3' DG A 1 2.544 -9.076 1.155 1.00 0.00 H new ATOM 0 H2' DG A 1 1.449 -6.953 1.182 1.00 0.00 H new ATOM 0 H2'' DG A 1 2.862 -6.598 2.156 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.944 -7.594 -1.165 1.00 0.00 H new ATOM 0 H1' DG A 1 4.054 -5.611 0.281 1.00 0.00 H new ATOM 0 H8 DG A 1 0.211 -5.585 -0.247 1.00 0.00 H new ATOM 0 H1 DG A 1 3.113 0.142 0.292 1.00 0.00 H new ATOM 0 H21 DG A 1 5.931 -1.788 0.923 1.00 0.00 H new ATOM 0 H22 DG A 1 5.224 -0.173 0.817 1.00 0.00 H new ATOM 32 P DT A 2 4.736 -8.674 2.865 1.00 0.00 P ATOM 33 OP1 DT A 2 5.741 -9.751 2.985 1.00 0.00 O ATOM 34 OP2 DT A 2 3.444 -8.771 3.575 1.00 0.00 O ATOM 35 O5' DT A 2 5.428 -7.275 3.265 1.00 0.00 O ATOM 36 C5' DT A 2 6.683 -6.911 2.712 1.00 0.00 C ATOM 37 C4' DT A 2 7.247 -5.615 3.311 1.00 0.00 C ATOM 38 O4' DT A 2 6.393 -4.523 3.001 1.00 0.00 O ATOM 39 C3' DT A 2 7.424 -5.674 4.832 1.00 0.00 C ATOM 40 O3' DT A 2 8.643 -5.030 5.166 1.00 0.00 O ATOM 41 C2' DT A 2 6.199 -4.923 5.328 1.00 0.00 C ATOM 42 C1' DT A 2 5.979 -3.904 4.208 1.00 0.00 C ATOM 43 N1 DT A 2 4.569 -3.448 4.057 1.00 0.00 N ATOM 44 C2 DT A 2 4.335 -2.073 3.945 1.00 0.00 C ATOM 45 O2 DT A 2 5.212 -1.220 4.047 1.00 0.00 O ATOM 46 N3 DT A 2 3.039 -1.686 3.687 1.00 0.00 N ATOM 47 C4 DT A 2 1.960 -2.529 3.530 1.00 0.00 C ATOM 48 O4 DT A 2 0.875 -2.042 3.229 1.00 0.00 O ATOM 49 C5 DT A 2 2.254 -3.947 3.724 1.00 0.00 C ATOM 50 C7 DT A 2 1.140 -4.980 3.641 1.00 0.00 C ATOM 51 C6 DT A 2 3.528 -4.354 3.964 1.00 0.00 C ATOM 0 H5' DT A 2 6.578 -6.791 1.634 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.395 -7.720 2.875 1.00 0.00 H new ATOM 0 H4' DT A 2 8.234 -5.483 2.867 1.00 0.00 H new ATOM 0 H3' DT A 2 7.487 -6.671 5.267 1.00 0.00 H new ATOM 0 H2' DT A 2 5.340 -5.582 5.455 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.377 -4.441 6.289 1.00 0.00 H new ATOM 0 H1' DT A 2 6.552 -3.011 4.455 1.00 0.00 H new ATOM 0 H3 DT A 2 2.861 -0.685 3.605 1.00 0.00 H new ATOM 0 H71 DT A 2 0.201 -4.528 3.960 1.00 0.00 H new ATOM 0 H72 DT A 2 1.044 -5.330 2.613 1.00 0.00 H new ATOM 0 H73 DT A 2 1.376 -5.823 4.290 1.00 0.00 H new ATOM 0 H6 DT A 2 3.732 -5.408 4.085 1.00 0.00 H new ATOM 64 P DA A 3 9.238 -5.045 6.667 1.00 0.00 P ATOM 65 OP1 DA A 3 10.708 -4.917 6.574 1.00 0.00 O ATOM 66 OP2 DA A 3 8.638 -6.183 7.396 1.00 0.00 O ATOM 67 O5' DA A 3 8.644 -3.677 7.276 1.00 0.00 O ATOM 68 C5' DA A 3 9.156 -2.423 6.858 1.00 0.00 C ATOM 69 C4' DA A 3 8.525 -1.239 7.599 1.00 0.00 C ATOM 70 O4' DA A 3 7.214 -1.000 7.101 1.00 0.00 O ATOM 71 C3' DA A 3 8.438 -1.426 9.121 1.00 0.00 C ATOM 72 O3' DA A 3 9.001 -0.274 9.726 1.00 0.00 O ATOM 73 C2' DA A 3 6.929 -1.548 9.340 1.00 0.00 C ATOM 74 C1' DA A 3 6.354 -0.725 8.189 1.00 0.00 C ATOM 75 N9 DA A 3 4.969 -1.101 7.813 1.00 0.00 N ATOM 76 C8 DA A 3 4.423 -2.358 7.699 1.00 0.00 C ATOM 77 N7 DA A 3 3.193 -2.378 7.261 1.00 0.00 N ATOM 78 C5 DA A 3 2.894 -1.021 7.102 1.00 0.00 C ATOM 79 C6 DA A 3 1.757 -0.309 6.657 1.00 0.00 C ATOM 80 N6 DA A 3 0.653 -0.900 6.232 1.00 0.00 N ATOM 81 N1 DA A 3 1.752 1.030 6.627 1.00 0.00 N ATOM 82 C2 DA A 3 2.860 1.660 7.013 1.00 0.00 C ATOM 83 N3 DA A 3 4.008 1.125 7.422 1.00 0.00 N ATOM 84 C4 DA A 3 3.961 -0.235 7.447 1.00 0.00 C ATOM 0 H5' DA A 3 8.986 -2.306 5.788 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.235 -2.408 7.013 1.00 0.00 H new ATOM 0 H4' DA A 3 9.186 -0.392 7.415 1.00 0.00 H new ATOM 0 H3' DA A 3 8.970 -2.279 9.541 1.00 0.00 H new ATOM 0 H2' DA A 3 6.597 -2.585 9.301 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.628 -1.153 10.310 1.00 0.00 H new ATOM 0 H1' DA A 3 6.300 0.325 8.476 1.00 0.00 H new ATOM 0 H8 DA A 3 4.967 -3.256 7.951 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.139 -0.338 5.922 1.00 0.00 H new ATOM 0 H62 DA A 3 0.594 -1.918 6.215 1.00 0.00 H new ATOM 0 H2 DA A 3 2.822 2.739 6.991 1.00 0.00 H new ATOM 96 P DC A 4 9.061 -0.045 11.325 1.00 0.00 P ATOM 97 OP1 DC A 4 10.349 0.605 11.651 1.00 0.00 O ATOM 98 OP2 DC A 4 8.655 -1.291 12.012 1.00 0.00 O ATOM 99 O5' DC A 4 7.885 1.041 11.476 1.00 0.00 O ATOM 100 C5' DC A 4 8.008 2.295 10.824 1.00 0.00 C ATOM 101 C4' DC A 4 6.730 3.130 10.875 1.00 0.00 C ATOM 102 O4' DC A 4 5.667 2.378 10.312 1.00 0.00 O ATOM 103 C3' DC A 4 6.325 3.568 12.286 1.00 0.00 C ATOM 104 O3' DC A 4 6.114 4.970 12.245 1.00 0.00 O ATOM 105 C2' DC A 4 5.025 2.813 12.534 1.00 0.00 C ATOM 106 C1' DC A 4 4.519 2.559 11.112 1.00 0.00 C ATOM 107 N1 DC A 4 3.643 1.362 10.980 1.00 0.00 N ATOM 108 C2 DC A 4 2.400 1.507 10.358 1.00 0.00 C ATOM 109 O2 DC A 4 1.999 2.598 9.954 1.00 0.00 O ATOM 110 N3 DC A 4 1.592 0.431 10.190 1.00 0.00 N ATOM 111 C4 DC A 4 1.970 -0.747 10.653 1.00 0.00 C ATOM 112 N4 DC A 4 1.149 -1.744 10.438 1.00 0.00 N ATOM 113 C5 DC A 4 3.218 -0.951 11.312 1.00 0.00 C ATOM 114 C6 DC A 4 4.039 0.126 11.437 1.00 0.00 C ATOM 0 H5' DC A 4 8.285 2.130 9.783 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.820 2.858 11.284 1.00 0.00 H new ATOM 0 H4' DC A 4 6.934 4.040 10.310 1.00 0.00 H new ATOM 0 H3' DC A 4 7.057 3.363 13.067 1.00 0.00 H new ATOM 0 H2' DC A 4 5.192 1.884 13.078 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.318 3.402 13.118 1.00 0.00 H new ATOM 0 H1' DC A 4 3.904 3.407 10.810 1.00 0.00 H new ATOM 0 H41 DC A 4 1.384 -2.679 10.771 1.00 0.00 H new ATOM 0 H42 DC A 4 0.274 -1.586 9.938 1.00 0.00 H new ATOM 0 H5 DC A 4 3.500 -1.920 11.696 1.00 0.00 H new ATOM 0 H6 DC A 4 5.009 0.010 11.898 1.00 0.00 H new HETATM 126 P NCX A 5 6.166 5.882 13.573 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.508 7.263 13.167 1.00 0.00 O HETATM 128 OP2 NCX A 5 6.982 5.190 14.592 1.00 0.00 O HETATM 129 O5' NCX A 5 4.633 5.860 14.048 1.00 0.00 O HETATM 130 C5' NCX A 5 3.654 6.649 13.393 1.00 0.00 C HETATM 131 C4' NCX A 5 2.287 6.559 14.083 1.00 0.00 C HETATM 132 O4' NCX A 5 1.611 5.368 13.699 1.00 0.00 O HETATM 133 C1' NCX A 5 1.117 4.742 14.870 1.00 0.00 C HETATM 134 N9 NCX A 5 0.939 3.293 14.626 1.00 0.00 N HETATM 135 C8 NCX A 5 1.773 2.229 14.963 1.00 0.00 C HETATM 136 C7 NCX A 5 1.174 1.034 14.588 1.00 0.00 C HETATM 137 CO7 NCX A 5 1.831 -0.266 14.839 1.00 0.00 C HETATM 138 O7 NCX A 5 2.938 -0.409 15.302 1.00 0.00 O HETATM 139 NH7 NCX A 5 1.160 -1.381 14.572 1.00 0.00 N HETATM 140 C5 NCX A 5 -0.061 1.403 13.963 1.00 0.00 C HETATM 141 C4 NCX A 5 -0.143 2.765 14.019 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.209 3.468 13.471 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.197 2.746 12.809 1.00 0.00 C HETATM 144 C1 NCX A 5 -2.111 1.349 12.698 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.108 0.618 11.875 1.00 0.00 N HETATM 146 O11 NCX A 5 -4.182 1.151 11.651 1.00 0.00 O HETATM 147 O12 NCX A 5 -2.773 -0.474 11.450 1.00 0.00 O HETATM 148 C6 NCX A 5 -1.053 0.662 13.321 1.00 0.00 C HETATM 149 C3' NCX A 5 2.384 6.575 15.615 1.00 0.00 C HETATM 150 C2' NCX A 5 2.123 5.113 15.954 1.00 0.00 C HETATM 151 O3' NCX A 5 1.373 7.445 16.092 1.00 0.00 O HETATM 0 HH72 NCX A 5 1.594 -2.289 14.737 1.00 0.00 H new HETATM 0 HH71 NCX A 5 0.211 -1.329 14.201 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.981 7.688 13.371 1.00 0.00 H new HETATM 0 H2'' NCX A 5 1.714 4.988 16.957 1.00 0.00 H new HETATM 0 H8 NCX A 5 2.746 2.321 15.446 1.00 0.00 H new HETATM 0 H6 NCX A 5 -1.009 -0.427 13.302 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.559 6.323 12.357 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.736 7.443 13.763 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.320 6.927 16.048 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.269 4.553 13.557 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.029 4.509 15.901 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.047 3.270 12.372 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.126 5.070 15.183 1.00 0.00 H new ATOM 165 P DA A 6 1.274 7.941 17.624 1.00 0.00 P ATOM 166 OP1 DA A 6 1.448 9.408 17.662 1.00 0.00 O ATOM 167 OP2 DA A 6 2.090 7.061 18.488 1.00 0.00 O ATOM 168 O5' DA A 6 -0.264 7.598 17.911 1.00 0.00 O ATOM 169 C5' DA A 6 -1.300 8.206 17.157 1.00 0.00 C ATOM 170 C4' DA A 6 -2.659 7.558 17.445 1.00 0.00 C ATOM 171 O4' DA A 6 -2.610 6.179 17.100 1.00 0.00 O ATOM 172 C3' DA A 6 -3.090 7.672 18.907 1.00 0.00 C ATOM 173 O3' DA A 6 -4.501 7.838 18.945 1.00 0.00 O ATOM 174 C2' DA A 6 -2.601 6.347 19.477 1.00 0.00 C ATOM 175 C1' DA A 6 -2.674 5.392 18.280 1.00 0.00 C ATOM 176 N9 DA A 6 -1.604 4.359 18.261 1.00 0.00 N ATOM 177 C8 DA A 6 -0.283 4.432 18.652 1.00 0.00 C ATOM 178 N7 DA A 6 0.370 3.302 18.557 1.00 0.00 N ATOM 179 C5 DA A 6 -0.582 2.418 18.042 1.00 0.00 C ATOM 180 C6 DA A 6 -0.581 1.046 17.687 1.00 0.00 C ATOM 181 N6 DA A 6 0.466 0.239 17.805 1.00 0.00 N ATOM 182 N1 DA A 6 -1.690 0.473 17.203 1.00 0.00 N ATOM 183 C2 DA A 6 -2.784 1.223 17.090 1.00 0.00 C ATOM 184 N3 DA A 6 -2.931 2.507 17.391 1.00 0.00 N ATOM 185 C4 DA A 6 -1.781 3.056 17.860 1.00 0.00 C ATOM 0 H5' DA A 6 -1.074 8.123 16.094 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.346 9.270 17.391 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.390 8.098 16.843 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.693 8.515 19.473 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.585 6.427 19.865 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.230 6.008 20.300 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.609 4.836 18.353 1.00 0.00 H new ATOM 0 H8 DA A 6 0.173 5.344 19.006 1.00 0.00 H new ATOM 0 H61 DA A 6 0.389 -0.740 17.528 1.00 0.00 H new ATOM 0 H62 DA A 6 1.347 0.597 18.173 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.661 0.724 16.705 1.00 0.00 H new ATOM 197 P DC A 7 -5.332 7.971 20.323 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.537 8.787 20.065 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.397 8.344 21.407 1.00 0.00 O ATOM 200 O5' DC A 7 -5.792 6.446 20.550 1.00 0.00 O ATOM 201 C5' DC A 7 -6.706 5.829 19.658 1.00 0.00 C ATOM 202 C4' DC A 7 -6.873 4.331 19.931 1.00 0.00 C ATOM 203 O4' DC A 7 -5.644 3.651 19.674 1.00 0.00 O ATOM 204 C3' DC A 7 -7.297 3.989 21.370 1.00 0.00 C ATOM 205 O3' DC A 7 -8.265 2.956 21.309 1.00 0.00 O ATOM 206 C2' DC A 7 -5.969 3.551 21.951 1.00 0.00 C ATOM 207 C1' DC A 7 -5.418 2.771 20.757 1.00 0.00 C ATOM 208 N1 DC A 7 -3.980 2.405 20.879 1.00 0.00 N ATOM 209 C2 DC A 7 -3.586 1.092 20.597 1.00 0.00 C ATOM 210 O2 DC A 7 -4.391 0.241 20.221 1.00 0.00 O ATOM 211 N3 DC A 7 -2.292 0.717 20.759 1.00 0.00 N ATOM 212 C4 DC A 7 -1.415 1.594 21.213 1.00 0.00 C ATOM 213 N4 DC A 7 -0.177 1.184 21.320 1.00 0.00 N ATOM 214 C5 DC A 7 -1.765 2.938 21.531 1.00 0.00 C ATOM 215 C6 DC A 7 -3.054 3.306 21.340 1.00 0.00 C ATOM 0 H5' DC A 7 -6.361 5.972 18.634 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.676 6.320 19.740 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.674 4.009 19.265 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.763 4.779 21.960 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.335 4.393 22.230 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.084 2.931 22.840 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.905 1.802 20.651 1.00 0.00 H new ATOM 0 H41 DC A 7 0.543 1.819 21.665 1.00 0.00 H new ATOM 0 H42 DC A 7 0.068 0.229 21.058 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.032 3.635 21.909 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.357 4.321 21.553 1.00 0.00 H new ATOM 227 P DG A 8 -9.054 2.405 22.604 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.507 2.536 22.366 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.445 2.961 23.831 1.00 0.00 O ATOM 230 O5' DG A 8 -8.666 0.851 22.522 1.00 0.00 O ATOM 231 C5' DG A 8 -9.081 0.060 21.419 1.00 0.00 C ATOM 232 C4' DG A 8 -8.772 -1.427 21.632 1.00 0.00 C ATOM 233 O4' DG A 8 -7.368 -1.621 21.574 1.00 0.00 O ATOM 234 C3' DG A 8 -9.270 -1.946 22.990 1.00 0.00 C ATOM 235 O3' DG A 8 -9.709 -3.291 22.891 1.00 0.00 O ATOM 236 C2' DG A 8 -8.021 -1.860 23.855 1.00 0.00 C ATOM 237 C1' DG A 8 -6.914 -2.097 22.827 1.00 0.00 C ATOM 238 N9 DG A 8 -5.648 -1.432 23.195 1.00 0.00 N ATOM 239 C8 DG A 8 -5.388 -0.099 23.395 1.00 0.00 C ATOM 240 N7 DG A 8 -4.141 0.160 23.690 1.00 0.00 N ATOM 241 C5 DG A 8 -3.528 -1.100 23.691 1.00 0.00 C ATOM 242 C6 DG A 8 -2.168 -1.512 23.924 1.00 0.00 C ATOM 243 O6 DG A 8 -1.168 -0.839 24.165 1.00 0.00 O ATOM 244 N1 DG A 8 -1.996 -2.883 23.857 1.00 0.00 N ATOM 245 C2 DG A 8 -2.993 -3.771 23.590 1.00 0.00 C ATOM 246 N2 DG A 8 -2.671 -5.041 23.517 1.00 0.00 N ATOM 247 N3 DG A 8 -4.261 -3.431 23.373 1.00 0.00 N ATOM 248 C4 DG A 8 -4.462 -2.079 23.425 1.00 0.00 C ATOM 0 H5' DG A 8 -8.582 0.408 20.515 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.152 0.189 21.262 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.289 -1.979 20.847 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.118 -1.384 23.381 1.00 0.00 H new ATOM 0 H2' DG A 8 -7.926 -0.889 24.342 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.016 -2.613 24.643 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.019 -3.599 23.768 1.00 0.00 H new ATOM 0 H1' DG A 8 -6.701 -3.165 22.786 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.145 0.667 23.316 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.059 -3.253 24.018 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.388 -5.738 23.319 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.703 -5.331 23.658 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 5.467 -7.940 25.041 1.00 0.00 O ATOM 263 C5' DC B 9 4.561 -8.984 25.341 1.00 0.00 C ATOM 264 C4' DC B 9 3.261 -8.809 24.544 1.00 0.00 C ATOM 265 O4' DC B 9 2.773 -7.482 24.723 1.00 0.00 O ATOM 266 C3' DC B 9 3.415 -9.034 23.032 1.00 0.00 C ATOM 267 O3' DC B 9 2.313 -9.827 22.623 1.00 0.00 O ATOM 268 C2' DC B 9 3.351 -7.609 22.491 1.00 0.00 C ATOM 269 C1' DC B 9 2.328 -7.020 23.460 1.00 0.00 C ATOM 270 N1 DC B 9 2.179 -5.533 23.473 1.00 0.00 N ATOM 271 C2 DC B 9 0.908 -5.013 23.755 1.00 0.00 C ATOM 272 O2 DC B 9 -0.068 -5.743 23.920 1.00 0.00 O ATOM 273 N3 DC B 9 0.717 -3.674 23.852 1.00 0.00 N ATOM 274 C4 DC B 9 1.732 -2.858 23.627 1.00 0.00 C ATOM 275 N4 DC B 9 1.482 -1.576 23.733 1.00 0.00 N ATOM 276 C5 DC B 9 3.046 -3.327 23.323 1.00 0.00 C ATOM 277 C6 DC B 9 3.231 -4.670 23.254 1.00 0.00 C ATOM 0 H5' DC B 9 4.343 -8.989 26.409 1.00 0.00 H new ATOM 0 H5'' DC B 9 5.014 -9.947 25.104 1.00 0.00 H new ATOM 0 H4' DC B 9 2.578 -9.567 24.927 1.00 0.00 H new ATOM 0 H3' DC B 9 4.317 -9.546 22.697 1.00 0.00 H new ATOM 0 H2' DC B 9 4.314 -7.100 22.537 1.00 0.00 H new ATOM 0 H2'' DC B 9 3.018 -7.569 21.454 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.967 -7.123 24.834 1.00 0.00 H new ATOM 0 H1' DC B 9 1.330 -7.340 23.160 1.00 0.00 H new ATOM 0 H41 DC B 9 2.225 -0.896 23.571 1.00 0.00 H new ATOM 0 H42 DC B 9 0.544 -1.258 23.977 1.00 0.00 H new ATOM 0 H5 DC B 9 3.862 -2.639 23.154 1.00 0.00 H new ATOM 0 H6 DC B 9 4.210 -5.065 23.026 1.00 0.00 H new ATOM 290 P DG B 10 2.131 -10.368 21.115 1.00 0.00 P ATOM 291 OP1 DG B 10 1.848 -11.817 21.186 1.00 0.00 O ATOM 292 OP2 DG B 10 3.252 -9.868 20.293 1.00 0.00 O ATOM 293 O5' DG B 10 0.784 -9.597 20.675 1.00 0.00 O ATOM 294 C5' DG B 10 -0.469 -9.953 21.246 1.00 0.00 C ATOM 295 C4' DG B 10 -1.673 -9.265 20.584 1.00 0.00 C ATOM 296 O4' DG B 10 -1.714 -7.907 20.996 1.00 0.00 O ATOM 297 C3' DG B 10 -1.675 -9.300 19.050 1.00 0.00 C ATOM 298 O3' DG B 10 -3.018 -9.432 18.602 1.00 0.00 O ATOM 299 C2' DG B 10 -1.087 -7.940 18.720 1.00 0.00 C ATOM 300 C1' DG B 10 -1.677 -7.090 19.841 1.00 0.00 C ATOM 301 N9 DG B 10 -0.870 -5.890 20.123 1.00 0.00 N ATOM 302 C8 DG B 10 0.487 -5.782 20.269 1.00 0.00 C ATOM 303 N7 DG B 10 0.905 -4.566 20.490 1.00 0.00 N ATOM 304 C5 DG B 10 -0.270 -3.805 20.474 1.00 0.00 C ATOM 305 C6 DG B 10 -0.501 -2.393 20.618 1.00 0.00 C ATOM 306 O6 DG B 10 0.301 -1.480 20.804 1.00 0.00 O ATOM 307 N1 DG B 10 -1.838 -2.050 20.522 1.00 0.00 N ATOM 308 C2 DG B 10 -2.848 -2.938 20.309 1.00 0.00 C ATOM 309 N2 DG B 10 -4.062 -2.462 20.182 1.00 0.00 N ATOM 310 N3 DG B 10 -2.670 -4.247 20.156 1.00 0.00 N ATOM 311 C4 DG B 10 -1.360 -4.618 20.255 1.00 0.00 C ATOM 0 H5' DG B 10 -0.458 -9.703 22.307 1.00 0.00 H new ATOM 0 H5'' DG B 10 -0.596 -11.033 21.175 1.00 0.00 H new ATOM 0 H4' DG B 10 -2.548 -9.829 20.908 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.124 -10.119 18.587 1.00 0.00 H new ATOM 0 H2' DG B 10 0.003 -7.946 18.737 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.388 -7.588 17.733 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.666 -6.742 19.544 1.00 0.00 H new ATOM 0 H8 DG B 10 1.153 -6.630 20.207 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.084 -1.065 20.617 1.00 0.00 H new ATOM 0 H21 DG B 10 -4.844 -3.096 20.021 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.225 -1.457 20.244 1.00 0.00 H new ATOM 323 P DT B 11 -3.409 -9.527 17.035 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.458 -10.559 16.895 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.163 -9.625 16.246 1.00 0.00 O ATOM 326 O5' DT B 11 -4.069 -8.079 16.751 1.00 0.00 O ATOM 327 C5' DT B 11 -5.388 -7.783 17.192 1.00 0.00 C ATOM 328 C4' DT B 11 -5.939 -6.466 16.622 1.00 0.00 C ATOM 329 O4' DT B 11 -5.274 -5.400 17.292 1.00 0.00 O ATOM 330 C3' DT B 11 -5.774 -6.355 15.110 1.00 0.00 C ATOM 331 O3' DT B 11 -7.012 -6.050 14.478 1.00 0.00 O ATOM 332 C2' DT B 11 -4.854 -5.158 14.979 1.00 0.00 C ATOM 333 C1' DT B 11 -4.725 -4.506 16.349 1.00 0.00 C ATOM 334 N1 DT B 11 -3.339 -4.100 16.705 1.00 0.00 N ATOM 335 C2 DT B 11 -3.147 -2.763 17.064 1.00 0.00 C ATOM 336 O2 DT B 11 -4.044 -1.930 17.126 1.00 0.00 O ATOM 337 N3 DT B 11 -1.857 -2.352 17.274 1.00 0.00 N ATOM 338 C4 DT B 11 -0.729 -3.121 17.117 1.00 0.00 C ATOM 339 O4 DT B 11 0.360 -2.585 17.308 1.00 0.00 O ATOM 340 C5 DT B 11 -0.986 -4.506 16.719 1.00 0.00 C ATOM 341 C7 DT B 11 0.178 -5.447 16.468 1.00 0.00 C ATOM 342 C6 DT B 11 -2.264 -4.947 16.533 1.00 0.00 C ATOM 0 H5' DT B 11 -5.396 -7.731 18.281 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.051 -8.600 16.907 1.00 0.00 H new ATOM 0 H4' DT B 11 -7.014 -6.425 16.795 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.407 -7.275 14.655 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.876 -5.469 14.612 1.00 0.00 H new ATOM 0 H2'' DT B 11 -5.255 -4.448 14.256 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.272 -3.563 16.339 1.00 0.00 H new ATOM 0 H3 DT B 11 -1.721 -1.387 17.574 1.00 0.00 H new ATOM 0 H71 DT B 11 1.035 -4.878 16.108 1.00 0.00 H new ATOM 0 H72 DT B 11 0.443 -5.954 17.396 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.107 -6.186 15.719 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.436 -5.974 16.247 1.00 0.00 H new ATOM 355 P DT B 12 -7.207 -6.193 12.872 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.470 -6.920 12.626 1.00 0.00 O ATOM 357 OP2 DT B 12 -5.941 -6.683 12.285 1.00 0.00 O ATOM 358 O5' DT B 12 -7.394 -4.676 12.372 1.00 0.00 O ATOM 359 C5' DT B 12 -8.606 -3.969 12.584 1.00 0.00 C ATOM 360 C4' DT B 12 -8.512 -2.501 12.136 1.00 0.00 C ATOM 361 O4' DT B 12 -7.484 -1.875 12.877 1.00 0.00 O ATOM 362 C3' DT B 12 -8.211 -2.291 10.649 1.00 0.00 C ATOM 363 O3' DT B 12 -8.831 -1.098 10.185 1.00 0.00 O ATOM 364 C2' DT B 12 -6.692 -2.194 10.653 1.00 0.00 C ATOM 365 C1' DT B 12 -6.356 -1.636 12.048 1.00 0.00 C ATOM 366 N1 DT B 12 -5.131 -2.173 12.736 1.00 0.00 N ATOM 367 C2 DT B 12 -4.618 -1.363 13.761 1.00 0.00 C ATOM 368 O2 DT B 12 -5.201 -0.400 14.248 1.00 0.00 O ATOM 369 N3 DT B 12 -3.354 -1.649 14.217 1.00 0.00 N ATOM 370 C4 DT B 12 -2.489 -2.572 13.670 1.00 0.00 C ATOM 371 O4 DT B 12 -1.341 -2.621 14.103 1.00 0.00 O ATOM 372 C5 DT B 12 -3.070 -3.402 12.623 1.00 0.00 C ATOM 373 C7 DT B 12 -2.212 -4.441 11.913 1.00 0.00 C ATOM 374 C6 DT B 12 -4.368 -3.230 12.249 1.00 0.00 C ATOM 0 H5' DT B 12 -8.866 -4.008 13.642 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.411 -4.462 12.039 1.00 0.00 H new ATOM 0 H4' DT B 12 -9.498 -2.073 12.314 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.584 -3.073 9.988 1.00 0.00 H new ATOM 0 H2' DT B 12 -6.230 -3.168 10.491 1.00 0.00 H new ATOM 0 H2'' DT B 12 -6.332 -1.535 9.863 1.00 0.00 H new ATOM 0 H1' DT B 12 -6.121 -0.584 11.888 1.00 0.00 H new ATOM 0 H3 DT B 12 -3.027 -1.132 15.033 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.838 -5.275 11.596 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.741 -3.989 11.040 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.442 -4.804 12.594 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.815 -3.930 11.559 1.00 0.00 H new ATOM 387 P DG B 13 -9.070 -0.806 8.608 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.518 -0.592 8.397 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.353 -1.835 7.826 1.00 0.00 O ATOM 390 O5' DG B 13 -8.312 0.593 8.355 1.00 0.00 O ATOM 391 C5' DG B 13 -8.815 1.809 8.883 1.00 0.00 C ATOM 392 C4' DG B 13 -7.854 2.991 8.667 1.00 0.00 C ATOM 393 O4' DG B 13 -6.592 2.663 9.239 1.00 0.00 O ATOM 394 C3' DG B 13 -7.616 3.403 7.205 1.00 0.00 C ATOM 395 O3' DG B 13 -7.435 4.814 7.146 1.00 0.00 O ATOM 396 C2' DG B 13 -6.364 2.626 6.885 1.00 0.00 C ATOM 397 C1' DG B 13 -5.619 2.605 8.210 1.00 0.00 C ATOM 398 N9 DG B 13 -4.768 1.400 8.298 1.00 0.00 N ATOM 399 C8 DG B 13 -5.076 0.085 8.038 1.00 0.00 C ATOM 400 N7 DG B 13 -4.060 -0.730 8.122 1.00 0.00 N ATOM 401 C5 DG B 13 -2.990 0.108 8.447 1.00 0.00 C ATOM 402 C6 DG B 13 -1.603 -0.166 8.708 1.00 0.00 C ATOM 403 O6 DG B 13 -1.007 -1.241 8.764 1.00 0.00 O ATOM 404 N1 DG B 13 -0.866 0.977 8.960 1.00 0.00 N ATOM 405 C2 DG B 13 -1.390 2.230 9.035 1.00 0.00 C ATOM 406 N2 DG B 13 -0.581 3.214 9.336 1.00 0.00 N ATOM 407 N3 DG B 13 -2.668 2.521 8.817 1.00 0.00 N ATOM 408 C4 DG B 13 -3.418 1.416 8.533 1.00 0.00 C ATOM 0 H5' DG B 13 -9.002 1.688 9.950 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.773 2.035 8.415 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.340 3.843 9.144 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.424 3.194 6.503 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.593 1.619 6.536 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.779 3.109 6.102 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.946 3.457 8.306 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.073 -0.245 7.786 1.00 0.00 H new ATOM 0 H1 DG B 13 0.139 0.873 9.099 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.939 4.167 9.401 1.00 0.00 H new ATOM 0 H22 DG B 13 0.407 3.028 9.506 1.00 0.00 H new ATOM 420 P DT B 14 -7.115 5.620 5.776 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.909 6.866 5.781 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.214 4.684 4.635 1.00 0.00 O ATOM 423 O5' DT B 14 -5.559 6.011 5.961 1.00 0.00 O ATOM 424 C5' DT B 14 -5.160 6.915 6.983 1.00 0.00 C ATOM 425 C4' DT B 14 -3.660 7.256 6.955 1.00 0.00 C ATOM 426 O4' DT B 14 -2.894 6.078 7.170 1.00 0.00 O ATOM 427 C3' DT B 14 -3.181 7.904 5.650 1.00 0.00 C ATOM 428 O3' DT B 14 -2.229 8.914 5.957 1.00 0.00 O ATOM 429 C2' DT B 14 -2.569 6.723 4.917 1.00 0.00 C ATOM 430 C1' DT B 14 -2.016 5.888 6.074 1.00 0.00 C ATOM 431 N1 DT B 14 -1.916 4.434 5.774 1.00 0.00 N ATOM 432 C2 DT B 14 -0.708 3.786 6.056 1.00 0.00 C ATOM 433 O2 DT B 14 0.296 4.361 6.464 1.00 0.00 O ATOM 434 N3 DT B 14 -0.671 2.425 5.849 1.00 0.00 N ATOM 435 C4 DT B 14 -1.711 1.659 5.365 1.00 0.00 C ATOM 436 O4 DT B 14 -1.540 0.451 5.243 1.00 0.00 O ATOM 437 C5 DT B 14 -2.930 2.398 5.047 1.00 0.00 C ATOM 438 C7 DT B 14 -4.137 1.670 4.472 1.00 0.00 C ATOM 439 C6 DT B 14 -2.995 3.738 5.266 1.00 0.00 C ATOM 0 H5' DT B 14 -5.408 6.485 7.953 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.735 7.836 6.886 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.516 7.988 7.750 1.00 0.00 H new ATOM 0 H3' DT B 14 -3.951 8.400 5.059 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.310 6.175 4.335 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.786 7.033 4.225 1.00 0.00 H new ATOM 0 H1' DT B 14 -0.998 6.219 6.279 1.00 0.00 H new ATOM 0 H3 DT B 14 0.199 1.942 6.073 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.801 0.813 3.888 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.776 1.327 5.285 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.699 2.348 3.830 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.908 4.268 5.038 1.00 0.00 H new ATOM 452 P DA B 15 -1.539 9.833 4.820 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.190 11.136 5.428 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.378 9.783 3.605 1.00 0.00 O ATOM 455 O5' DA B 15 -0.170 9.031 4.521 1.00 0.00 O ATOM 456 C5' DA B 15 0.886 9.020 5.469 1.00 0.00 C ATOM 457 C4' DA B 15 2.102 8.219 4.986 1.00 0.00 C ATOM 458 O4' DA B 15 1.789 6.832 4.947 1.00 0.00 O ATOM 459 C3' DA B 15 2.597 8.636 3.595 1.00 0.00 C ATOM 460 O3' DA B 15 3.995 8.883 3.649 1.00 0.00 O ATOM 461 C2' DA B 15 2.256 7.411 2.761 1.00 0.00 C ATOM 462 C1' DA B 15 2.359 6.276 3.779 1.00 0.00 C ATOM 463 N9 DA B 15 1.613 5.055 3.385 1.00 0.00 N ATOM 464 C8 DA B 15 0.326 4.959 2.909 1.00 0.00 C ATOM 465 N7 DA B 15 -0.084 3.739 2.693 1.00 0.00 N ATOM 466 C5 DA B 15 1.029 2.967 3.045 1.00 0.00 C ATOM 467 C6 DA B 15 1.296 1.578 3.073 1.00 0.00 C ATOM 468 N6 DA B 15 0.401 0.652 2.775 1.00 0.00 N ATOM 469 N1 DA B 15 2.503 1.120 3.424 1.00 0.00 N ATOM 470 C2 DA B 15 3.429 2.009 3.770 1.00 0.00 C ATOM 471 N3 DA B 15 3.318 3.335 3.811 1.00 0.00 N ATOM 472 C4 DA B 15 2.075 3.758 3.443 1.00 0.00 C ATOM 0 H5' DA B 15 0.524 8.596 6.406 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.191 10.045 5.680 1.00 0.00 H new ATOM 0 H4' DA B 15 2.898 8.428 5.700 1.00 0.00 H new ATOM 0 H3' DA B 15 2.155 9.549 3.195 1.00 0.00 H new ATOM 0 H2' DA B 15 1.257 7.479 2.330 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.952 7.278 1.933 1.00 0.00 H new ATOM 0 H1' DA B 15 3.391 5.944 3.891 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.295 5.824 2.729 1.00 0.00 H new ATOM 0 H61 DA B 15 0.656 -0.335 2.814 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.544 0.924 2.506 1.00 0.00 H new ATOM 0 H2 DA B 15 4.390 1.606 4.053 1.00 0.00 H new ATOM 484 P DC B 16 4.816 9.472 2.387 1.00 0.00 P ATOM 485 OP1 DC B 16 5.938 10.295 2.887 1.00 0.00 O ATOM 486 OP2 DC B 16 3.862 10.029 1.405 1.00 0.00 O ATOM 487 O5' DC B 16 5.427 8.124 1.765 1.00 0.00 O ATOM 488 C5' DC B 16 6.512 7.465 2.393 1.00 0.00 C ATOM 489 C4' DC B 16 6.880 6.179 1.652 1.00 0.00 C ATOM 490 O4' DC B 16 5.957 5.148 1.939 1.00 0.00 O ATOM 491 C3' DC B 16 6.889 6.313 0.127 1.00 0.00 C ATOM 492 O3' DC B 16 8.109 6.840 -0.359 1.00 0.00 O ATOM 493 C2' DC B 16 6.703 4.861 -0.301 1.00 0.00 C ATOM 494 C1' DC B 16 6.011 4.194 0.895 1.00 0.00 C ATOM 495 N1 DC B 16 4.629 3.761 0.568 1.00 0.00 N ATOM 496 C2 DC B 16 4.350 2.394 0.490 1.00 0.00 C ATOM 497 O2 DC B 16 5.213 1.544 0.706 1.00 0.00 O ATOM 498 N3 DC B 16 3.108 1.974 0.153 1.00 0.00 N ATOM 499 C4 DC B 16 2.165 2.867 -0.092 1.00 0.00 C ATOM 500 N4 DC B 16 0.974 2.385 -0.344 1.00 0.00 N ATOM 501 C5 DC B 16 2.400 4.274 -0.049 1.00 0.00 C ATOM 502 C6 DC B 16 3.652 4.684 0.289 1.00 0.00 C ATOM 0 H5' DC B 16 6.251 7.231 3.425 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.375 8.129 2.425 1.00 0.00 H new ATOM 0 H4' DC B 16 7.887 5.953 2.002 1.00 0.00 H new ATOM 0 H3' DC B 16 6.134 6.999 -0.256 1.00 0.00 H new ATOM 0 H2' DC B 16 6.095 4.788 -1.203 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.659 4.387 -0.522 1.00 0.00 H new ATOM 0 HO3' DC B 16 8.071 6.906 -1.336 1.00 0.00 H new ATOM 0 H1' DC B 16 6.574 3.305 1.180 1.00 0.00 H new ATOM 0 H41 DC B 16 0.199 3.018 -0.542 1.00 0.00 H new ATOM 0 H42 DC B 16 0.821 1.377 -0.343 1.00 0.00 H new ATOM 0 H5 DC B 16 1.617 4.983 -0.275 1.00 0.00 H new ATOM 0 H6 DC B 16 3.878 5.739 0.338 1.00 0.00 H new TER 515 DC B 16