USER MOD reduce.3.24.130724 H: found=0, std=0, add=170, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 170 hydrogens (30 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 DA O5' : rot 25:sc= 0.00273 USER MOD Single : A 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DA O5' : rot 180:sc= 0 USER MOD Single : B 2 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -3.657 6.972 -14.286 1.00 10.00 O ATOM 2 C5' DA A 1 -5.068 7.033 -14.252 1.00 10.00 C ATOM 3 C4' DA A 1 -5.632 6.093 -13.183 1.00 10.00 C ATOM 4 O4' DA A 1 -5.216 4.757 -13.408 1.00 10.00 O ATOM 5 C3' DA A 1 -5.158 6.428 -11.771 1.00 10.00 C ATOM 6 O3' DA A 1 -5.938 7.463 -11.197 1.00 10.00 O ATOM 7 C2' DA A 1 -5.333 5.088 -11.064 1.00 10.00 C ATOM 8 C1' DA A 1 -5.301 4.046 -12.182 1.00 10.00 C ATOM 9 N9 DA A 1 -4.157 3.131 -12.020 1.00 10.00 N ATOM 10 C8 DA A 1 -2.864 3.365 -12.371 1.00 10.00 C ATOM 11 N7 DA A 1 -2.054 2.362 -12.173 1.00 10.00 N ATOM 12 C5 DA A 1 -2.883 1.387 -11.626 1.00 10.00 C ATOM 13 C6 DA A 1 -2.655 0.067 -11.178 1.00 10.00 C ATOM 14 N6 DA A 1 -1.459 -0.530 -11.242 1.00 10.00 N ATOM 15 N1 DA A 1 -3.689 -0.613 -10.647 1.00 10.00 N ATOM 16 C2 DA A 1 -4.883 -0.028 -10.572 1.00 10.00 C ATOM 17 N3 DA A 1 -5.229 1.194 -10.968 1.00 10.00 N ATOM 18 C4 DA A 1 -4.167 1.861 -11.496 1.00 10.00 C ATOM 0 H5' DA A 1 -5.471 6.763 -15.228 1.00 10.00 H new ATOM 0 H5'' DA A 1 -5.387 8.055 -14.047 1.00 10.00 H new ATOM 0 H4' DA A 1 -6.713 6.214 -13.259 1.00 10.00 H new ATOM 0 H3' DA A 1 -4.140 6.812 -11.712 1.00 10.00 H new ATOM 0 H2' DA A 1 -4.536 4.916 -10.341 1.00 10.00 H new ATOM 0 H2'' DA A 1 -6.274 5.051 -10.516 1.00 10.00 H new ATOM 0 HO5' DA A 1 -3.359 6.104 -13.942 1.00 10.00 H new ATOM 0 H1' DA A 1 -6.198 3.428 -12.158 1.00 10.00 H new ATOM 0 H8 DA A 1 -2.534 4.308 -12.782 1.00 10.00 H new ATOM 0 H61 DA A 1 -1.348 -1.486 -10.904 1.00 10.00 H new ATOM 0 H62 DA A 1 -0.659 -0.029 -11.628 1.00 10.00 H new ATOM 0 H2 DA A 1 -5.671 -0.622 -10.134 1.00 10.00 H new ATOM 31 P DT A 2 -5.509 8.191 -9.818 1.00 10.00 P ATOM 32 OP1 DT A 2 -6.456 9.301 -9.574 1.00 10.00 O ATOM 33 OP2 DT A 2 -4.057 8.469 -9.878 1.00 10.00 O ATOM 34 O5' DT A 2 -5.752 7.061 -8.694 1.00 10.00 O ATOM 35 C5' DT A 2 -7.044 6.765 -8.194 1.00 10.00 C ATOM 36 C4' DT A 2 -6.963 5.547 -7.267 1.00 10.00 C ATOM 37 O4' DT A 2 -6.366 4.464 -7.953 1.00 10.00 O ATOM 38 C3' DT A 2 -6.108 5.805 -6.023 1.00 10.00 C ATOM 39 O3' DT A 2 -6.941 6.212 -4.947 1.00 10.00 O ATOM 40 C2' DT A 2 -5.418 4.466 -5.783 1.00 10.00 C ATOM 41 C1' DT A 2 -5.743 3.612 -7.012 1.00 10.00 C ATOM 42 N1 DT A 2 -4.499 3.063 -7.601 1.00 10.00 N ATOM 43 C2 DT A 2 -4.291 1.685 -7.631 1.00 10.00 C ATOM 44 O2 DT A 2 -5.121 0.866 -7.246 1.00 10.00 O ATOM 45 N3 DT A 2 -3.062 1.268 -8.126 1.00 10.00 N ATOM 46 C4 DT A 2 -2.051 2.093 -8.600 1.00 10.00 C ATOM 47 O4 DT A 2 -0.982 1.607 -8.960 1.00 10.00 O ATOM 48 C5 DT A 2 -2.382 3.509 -8.600 1.00 10.00 C ATOM 49 C7 DT A 2 -1.408 4.524 -9.167 1.00 10.00 C ATOM 50 C6 DT A 2 -3.564 3.934 -8.093 1.00 10.00 C ATOM 0 H5' DT A 2 -7.728 6.564 -9.018 1.00 10.00 H new ATOM 0 H5'' DT A 2 -7.442 7.623 -7.652 1.00 10.00 H new ATOM 0 H4' DT A 2 -7.986 5.329 -6.961 1.00 10.00 H new ATOM 0 H3' DT A 2 -5.377 6.607 -6.131 1.00 10.00 H new ATOM 0 H2' DT A 2 -4.342 4.594 -5.668 1.00 10.00 H new ATOM 0 H2'' DT A 2 -5.782 3.995 -4.870 1.00 10.00 H new ATOM 0 H1' DT A 2 -6.389 2.778 -6.737 1.00 10.00 H new ATOM 0 H3 DT A 2 -2.886 0.263 -8.143 1.00 10.00 H new ATOM 0 H71 DT A 2 -1.961 5.372 -9.571 1.00 10.00 H new ATOM 0 H72 DT A 2 -0.741 4.869 -8.377 1.00 10.00 H new ATOM 0 H73 DT A 2 -0.822 4.061 -9.961 1.00 10.00 H new ATOM 0 H6 DT A 2 -3.776 4.993 -8.076 1.00 10.00 H new ATOM 63 P DG A 3 -6.379 6.502 -3.457 1.00 10.00 P ATOM 64 OP1 DG A 3 -7.257 7.513 -2.828 1.00 10.00 O ATOM 65 OP2 DG A 3 -4.922 6.751 -3.544 1.00 10.00 O ATOM 66 O5' DG A 3 -6.595 5.103 -2.676 1.00 10.00 O ATOM 67 C5' DG A 3 -7.883 4.542 -2.486 1.00 10.00 C ATOM 68 C4' DG A 3 -7.811 3.308 -1.574 1.00 10.00 C ATOM 69 O4' DG A 3 -6.686 2.489 -1.883 1.00 10.00 O ATOM 70 C3' DG A 3 -7.709 3.695 -0.097 1.00 10.00 C ATOM 71 O3' DG A 3 -8.519 2.788 0.635 1.00 10.00 O ATOM 72 C2' DG A 3 -6.220 3.540 0.174 1.00 10.00 C ATOM 73 C1' DG A 3 -5.847 2.375 -0.740 1.00 10.00 C ATOM 74 N9 DG A 3 -4.424 2.406 -1.156 1.00 10.00 N ATOM 75 C8 DG A 3 -3.701 3.463 -1.649 1.00 10.00 C ATOM 76 N7 DG A 3 -2.454 3.185 -1.914 1.00 10.00 N ATOM 77 C5 DG A 3 -2.341 1.839 -1.592 1.00 10.00 C ATOM 78 C6 DG A 3 -1.208 0.975 -1.666 1.00 10.00 C ATOM 79 O6 DG A 3 -0.073 1.257 -2.039 1.00 10.00 O ATOM 80 N1 DG A 3 -1.498 -0.326 -1.269 1.00 10.00 N ATOM 81 C2 DG A 3 -2.746 -0.751 -0.852 1.00 10.00 C ATOM 82 N2 DG A 3 -2.866 -2.036 -0.506 1.00 10.00 N ATOM 83 N3 DG A 3 -3.810 0.065 -0.763 1.00 10.00 N ATOM 84 C4 DG A 3 -3.545 1.344 -1.147 1.00 10.00 C ATOM 0 H5' DG A 3 -8.309 4.263 -3.450 1.00 10.00 H new ATOM 0 H5'' DG A 3 -8.548 5.286 -2.047 1.00 10.00 H new ATOM 0 H4' DG A 3 -8.735 2.758 -1.751 1.00 10.00 H new ATOM 0 H3' DG A 3 -8.052 4.693 0.176 1.00 10.00 H new ATOM 0 H2' DG A 3 -5.665 4.445 -0.072 1.00 10.00 H new ATOM 0 H2'' DG A 3 -6.018 3.317 1.222 1.00 10.00 H new ATOM 0 H1' DG A 3 -5.984 1.432 -0.210 1.00 10.00 H new ATOM 0 H8 DG A 3 -4.128 4.443 -1.805 1.00 10.00 H new ATOM 0 H1 DG A 3 -0.742 -1.010 -1.287 1.00 10.00 H new ATOM 0 H21 DG A 3 -3.766 -2.398 -0.192 1.00 10.00 H new ATOM 0 H22 DG A 3 -2.057 -2.655 -0.556 1.00 10.00 H new ATOM 96 P DC A 4 -8.707 2.871 2.235 1.00 10.00 P ATOM 97 OP1 DC A 4 -10.100 2.488 2.559 1.00 10.00 O ATOM 98 OP2 DC A 4 -8.167 4.163 2.713 1.00 10.00 O ATOM 99 O5' DC A 4 -7.727 1.696 2.737 1.00 10.00 O ATOM 100 C5' DC A 4 -8.081 0.330 2.609 1.00 10.00 C ATOM 101 C4' DC A 4 -6.894 -0.544 3.024 1.00 10.00 C ATOM 102 O4' DC A 4 -5.796 -0.240 2.191 1.00 10.00 O ATOM 103 C3' DC A 4 -6.458 -0.291 4.474 1.00 10.00 C ATOM 104 O3' DC A 4 -6.842 -1.377 5.302 1.00 10.00 O ATOM 105 C2' DC A 4 -4.946 -0.134 4.380 1.00 10.00 C ATOM 106 C1' DC A 4 -4.611 -0.458 2.924 1.00 10.00 C ATOM 107 N1 DC A 4 -3.569 0.479 2.444 1.00 10.00 N ATOM 108 C2 DC A 4 -2.275 0.026 2.187 1.00 10.00 C ATOM 109 O2 DC A 4 -1.960 -1.150 2.357 1.00 10.00 O ATOM 110 N3 DC A 4 -1.354 0.928 1.740 1.00 10.00 N ATOM 111 C4 DC A 4 -1.673 2.221 1.577 1.00 10.00 C ATOM 112 N4 DC A 4 -0.734 3.061 1.136 1.00 10.00 N ATOM 113 C5 DC A 4 -2.991 2.708 1.869 1.00 10.00 C ATOM 114 C6 DC A 4 -3.893 1.802 2.298 1.00 10.00 C ATOM 0 H5' DC A 4 -8.365 0.112 1.580 1.00 10.00 H new ATOM 0 H5'' DC A 4 -8.947 0.107 3.233 1.00 10.00 H new ATOM 0 H4' DC A 4 -7.208 -1.584 2.933 1.00 10.00 H new ATOM 0 H3' DC A 4 -6.923 0.587 4.922 1.00 10.00 H new ATOM 0 H2' DC A 4 -4.636 0.878 4.642 1.00 10.00 H new ATOM 0 H2'' DC A 4 -4.434 -0.811 5.064 1.00 10.00 H new ATOM 0 H1' DC A 4 -4.247 -1.479 2.813 1.00 10.00 H new ATOM 0 H41 DC A 4 -0.954 4.048 1.005 1.00 10.00 H new ATOM 0 H42 DC A 4 0.203 2.716 0.930 1.00 10.00 H new ATOM 0 H5 DC A 4 -3.248 3.750 1.751 1.00 10.00 H new ATOM 0 H6 DC A 4 -4.896 2.128 2.532 1.00 10.00 H new ATOM 126 P DA A 5 -6.836 -1.284 6.920 1.00 10.00 P ATOM 127 OP1 DA A 5 -7.658 -2.402 7.435 1.00 10.00 O ATOM 128 OP2 DA A 5 -7.178 0.103 7.306 1.00 10.00 O ATOM 129 O5' DA A 5 -5.304 -1.551 7.360 1.00 10.00 O ATOM 130 C5' DA A 5 -4.707 -2.832 7.255 1.00 10.00 C ATOM 131 C4' DA A 5 -3.365 -2.855 7.996 1.00 10.00 C ATOM 132 O4' DA A 5 -2.486 -1.840 7.536 1.00 10.00 O ATOM 133 C3' DA A 5 -3.534 -2.651 9.510 1.00 10.00 C ATOM 134 O3' DA A 5 -3.328 -3.883 10.181 1.00 10.00 O ATOM 135 C2' DA A 5 -2.493 -1.578 9.844 1.00 10.00 C ATOM 136 C1' DA A 5 -1.610 -1.520 8.601 1.00 10.00 C ATOM 137 N9 DA A 5 -1.004 -0.187 8.415 1.00 10.00 N ATOM 138 C8 DA A 5 -1.664 1.001 8.301 1.00 10.00 C ATOM 139 N7 DA A 5 -0.904 2.024 8.030 1.00 10.00 N ATOM 140 C5 DA A 5 0.368 1.468 7.961 1.00 10.00 C ATOM 141 C6 DA A 5 1.636 2.011 7.666 1.00 10.00 C ATOM 142 N6 DA A 5 1.818 3.302 7.369 1.00 10.00 N ATOM 143 N1 DA A 5 2.704 1.190 7.678 1.00 10.00 N ATOM 144 C2 DA A 5 2.525 -0.098 7.964 1.00 10.00 C ATOM 145 N3 DA A 5 1.388 -0.732 8.249 1.00 10.00 N ATOM 146 C4 DA A 5 0.326 0.120 8.227 1.00 10.00 C ATOM 0 H5' DA A 5 -4.555 -3.085 6.206 1.00 10.00 H new ATOM 0 H5'' DA A 5 -5.374 -3.587 7.672 1.00 10.00 H new ATOM 0 H4' DA A 5 -2.947 -3.841 7.793 1.00 10.00 H new ATOM 0 H3' DA A 5 -4.528 -2.331 9.822 1.00 10.00 H new ATOM 0 H2' DA A 5 -2.963 -0.615 10.045 1.00 10.00 H new ATOM 0 H2'' DA A 5 -1.917 -1.843 10.731 1.00 10.00 H new ATOM 0 H1' DA A 5 -0.766 -2.206 8.669 1.00 10.00 H new ATOM 0 H8 DA A 5 -2.733 1.087 8.426 1.00 10.00 H new ATOM 0 H61 DA A 5 2.754 3.651 7.162 1.00 10.00 H new ATOM 0 H62 DA A 5 1.021 3.938 7.349 1.00 10.00 H new ATOM 0 H2 DA A 5 3.416 -0.708 7.965 1.00 10.00 H new ATOM 158 P DT A 6 -3.514 -4.045 11.781 1.00 10.00 P ATOM 159 OP1 DT A 6 -3.750 -5.475 12.078 1.00 10.00 O ATOM 160 OP2 DT A 6 -4.475 -3.025 12.257 1.00 10.00 O ATOM 161 O5' DT A 6 -2.053 -3.654 12.333 1.00 10.00 O ATOM 162 C5' DT A 6 -0.939 -4.489 12.092 1.00 10.00 C ATOM 163 C4' DT A 6 0.366 -3.781 12.463 1.00 10.00 C ATOM 164 O4' DT A 6 0.597 -2.677 11.611 1.00 10.00 O ATOM 165 C3' DT A 6 0.394 -3.192 13.873 1.00 10.00 C ATOM 166 O3' DT A 6 0.814 -4.142 14.830 1.00 10.00 O ATOM 167 C2' DT A 6 1.391 -2.041 13.741 1.00 10.00 C ATOM 168 C1' DT A 6 1.583 -1.871 12.227 1.00 10.00 C ATOM 169 N1 DT A 6 1.430 -0.454 11.802 1.00 10.00 N ATOM 170 C2 DT A 6 2.534 0.209 11.268 1.00 10.00 C ATOM 171 O2 DT A 6 3.634 -0.318 11.117 1.00 10.00 O ATOM 172 N3 DT A 6 2.334 1.530 10.900 1.00 10.00 N ATOM 173 C4 DT A 6 1.153 2.245 11.015 1.00 10.00 C ATOM 174 O4 DT A 6 1.107 3.414 10.641 1.00 10.00 O ATOM 175 C5 DT A 6 0.052 1.487 11.585 1.00 10.00 C ATOM 176 C7 DT A 6 -1.289 2.165 11.785 1.00 10.00 C ATOM 177 C6 DT A 6 0.224 0.190 11.952 1.00 10.00 C ATOM 0 H5' DT A 6 -0.915 -4.776 11.041 1.00 10.00 H new ATOM 0 H5'' DT A 6 -1.036 -5.407 12.671 1.00 10.00 H new ATOM 0 H4' DT A 6 1.116 -4.567 12.377 1.00 10.00 H new ATOM 0 H3' DT A 6 -0.587 -2.871 14.222 1.00 10.00 H new ATOM 0 H2' DT A 6 1.007 -1.129 14.197 1.00 10.00 H new ATOM 0 H2'' DT A 6 2.333 -2.273 14.237 1.00 10.00 H new ATOM 0 HO3' DT A 6 0.821 -3.730 15.719 1.00 10.00 H new ATOM 0 H1' DT A 6 2.591 -2.168 11.938 1.00 10.00 H new ATOM 0 H3 DT A 6 3.135 2.024 10.506 1.00 10.00 H new ATOM 0 H71 DT A 6 -2.087 1.427 11.696 1.00 10.00 H new ATOM 0 H72 DT A 6 -1.323 2.619 12.775 1.00 10.00 H new ATOM 0 H73 DT A 6 -1.423 2.937 11.027 1.00 10.00 H new ATOM 0 H6 DT A 6 -0.610 -0.351 12.374 1.00 10.00 H new TER 191 DT A 6 ATOM 192 O5' DA B 1 11.474 7.604 8.744 1.00 10.00 O ATOM 193 C5' DA B 1 12.372 6.569 9.083 1.00 10.00 C ATOM 194 C4' DA B 1 11.724 5.194 8.886 1.00 10.00 C ATOM 195 O4' DA B 1 10.541 5.073 9.656 1.00 10.00 O ATOM 196 C3' DA B 1 11.293 4.931 7.444 1.00 10.00 C ATOM 197 O3' DA B 1 12.378 4.473 6.656 1.00 10.00 O ATOM 198 C2' DA B 1 10.210 3.874 7.639 1.00 10.00 C ATOM 199 C1' DA B 1 9.727 4.065 9.077 1.00 10.00 C ATOM 200 N9 DA B 1 8.305 4.448 9.109 1.00 10.00 N ATOM 201 C8 DA B 1 7.785 5.688 8.904 1.00 10.00 C ATOM 202 N7 DA B 1 6.492 5.769 9.049 1.00 10.00 N ATOM 203 C5 DA B 1 6.123 4.464 9.359 1.00 10.00 C ATOM 204 C6 DA B 1 4.882 3.852 9.635 1.00 10.00 C ATOM 205 N6 DA B 1 3.725 4.526 9.668 1.00 10.00 N ATOM 206 N1 DA B 1 4.862 2.524 9.859 1.00 10.00 N ATOM 207 C2 DA B 1 6.004 1.840 9.824 1.00 10.00 C ATOM 208 N3 DA B 1 7.232 2.298 9.591 1.00 10.00 N ATOM 209 C4 DA B 1 7.223 3.640 9.364 1.00 10.00 C ATOM 0 H5' DA B 1 12.687 6.681 10.120 1.00 10.00 H new ATOM 0 H5'' DA B 1 13.268 6.644 8.468 1.00 10.00 H new ATOM 0 H4' DA B 1 12.494 4.484 9.188 1.00 10.00 H new ATOM 0 H3' DA B 1 10.940 5.811 6.906 1.00 10.00 H new ATOM 0 H2' DA B 1 9.395 4.008 6.928 1.00 10.00 H new ATOM 0 H2'' DA B 1 10.606 2.870 7.485 1.00 10.00 H new ATOM 0 HO5' DA B 1 11.909 8.472 8.879 1.00 10.00 H new ATOM 0 H1' DA B 1 9.810 3.135 9.639 1.00 10.00 H new ATOM 0 H8 DA B 1 8.396 6.539 8.642 1.00 10.00 H new ATOM 0 H61 DA B 1 2.855 4.035 9.873 1.00 10.00 H new ATOM 0 H62 DA B 1 3.714 5.530 9.488 1.00 10.00 H new ATOM 0 H2 DA B 1 5.924 0.779 10.008 1.00 10.00 H new ATOM 222 P DT B 2 12.274 4.353 5.047 1.00 10.00 P ATOM 223 OP1 DT B 2 13.608 3.979 4.530 1.00 10.00 O ATOM 224 OP2 DT B 2 11.608 5.573 4.538 1.00 10.00 O ATOM 225 O5' DT B 2 11.274 3.109 4.817 1.00 10.00 O ATOM 226 C5' DT B 2 11.707 1.766 4.938 1.00 10.00 C ATOM 227 C4' DT B 2 10.498 0.832 4.822 1.00 10.00 C ATOM 228 O4' DT B 2 9.519 1.196 5.775 1.00 10.00 O ATOM 229 C3' DT B 2 9.824 0.904 3.448 1.00 10.00 C ATOM 230 O3' DT B 2 10.336 -0.120 2.609 1.00 10.00 O ATOM 231 C2' DT B 2 8.342 0.739 3.771 1.00 10.00 C ATOM 232 C1' DT B 2 8.246 0.806 5.298 1.00 10.00 C ATOM 233 N1 DT B 2 7.242 1.817 5.706 1.00 10.00 N ATOM 234 C2 DT B 2 6.097 1.423 6.396 1.00 10.00 C ATOM 235 O2 DT B 2 5.884 0.267 6.752 1.00 10.00 O ATOM 236 N3 DT B 2 5.177 2.427 6.666 1.00 10.00 N ATOM 237 C4 DT B 2 5.308 3.767 6.327 1.00 10.00 C ATOM 238 O4 DT B 2 4.396 4.552 6.572 1.00 10.00 O ATOM 239 C5 DT B 2 6.561 4.101 5.671 1.00 10.00 C ATOM 240 C7 DT B 2 6.882 5.538 5.311 1.00 10.00 C ATOM 241 C6 DT B 2 7.456 3.128 5.373 1.00 10.00 C ATOM 0 H5' DT B 2 12.205 1.617 5.896 1.00 10.00 H new ATOM 0 H5'' DT B 2 12.435 1.535 4.161 1.00 10.00 H new ATOM 0 H4' DT B 2 10.877 -0.177 4.984 1.00 10.00 H new ATOM 0 H3' DT B 2 10.004 1.830 2.902 1.00 10.00 H new ATOM 0 H2' DT B 2 7.749 1.526 3.306 1.00 10.00 H new ATOM 0 H2'' DT B 2 7.962 -0.211 3.395 1.00 10.00 H new ATOM 0 H1' DT B 2 7.945 -0.160 5.704 1.00 10.00 H new ATOM 0 H3 DT B 2 4.326 2.155 7.159 1.00 10.00 H new ATOM 0 H71 DT B 2 7.961 5.688 5.341 1.00 10.00 H new ATOM 0 H72 DT B 2 6.514 5.753 4.308 1.00 10.00 H new ATOM 0 H73 DT B 2 6.402 6.208 6.025 1.00 10.00 H new ATOM 0 H6 DT B 2 8.366 3.395 4.857 1.00 10.00 H new ATOM 254 P DG B 3 9.800 -0.377 1.103 1.00 10.00 P ATOM 255 OP1 DG B 3 10.912 -0.955 0.316 1.00 10.00 O ATOM 256 OP2 DG B 3 9.130 0.854 0.627 1.00 10.00 O ATOM 257 O5' DG B 3 8.669 -1.519 1.276 1.00 10.00 O ATOM 258 C5' DG B 3 8.976 -2.809 1.778 1.00 10.00 C ATOM 259 C4' DG B 3 7.756 -3.738 1.674 1.00 10.00 C ATOM 260 O4' DG B 3 6.551 -3.069 2.034 1.00 10.00 O ATOM 261 C3' DG B 3 7.575 -4.284 0.256 1.00 10.00 C ATOM 262 O3' DG B 3 7.180 -5.642 0.373 1.00 10.00 O ATOM 263 C2' DG B 3 6.487 -3.377 -0.301 1.00 10.00 C ATOM 264 C1' DG B 3 5.643 -3.092 0.939 1.00 10.00 C ATOM 265 N9 DG B 3 4.922 -1.799 0.856 1.00 10.00 N ATOM 266 C8 DG B 3 5.413 -0.568 0.495 1.00 10.00 C ATOM 267 N7 DG B 3 4.526 0.388 0.502 1.00 10.00 N ATOM 268 C5 DG B 3 3.361 -0.246 0.917 1.00 10.00 C ATOM 269 C6 DG B 3 2.051 0.285 1.110 1.00 10.00 C ATOM 270 O6 DG B 3 1.680 1.442 0.940 1.00 10.00 O ATOM 271 N1 DG B 3 1.144 -0.670 1.556 1.00 10.00 N ATOM 272 C2 DG B 3 1.465 -1.994 1.795 1.00 10.00 C ATOM 273 N2 DG B 3 0.481 -2.789 2.226 1.00 10.00 N ATOM 274 N3 DG B 3 2.693 -2.502 1.596 1.00 10.00 N ATOM 275 C4 DG B 3 3.596 -1.580 1.158 1.00 10.00 C ATOM 0 H5' DG B 3 9.294 -2.734 2.818 1.00 10.00 H new ATOM 0 H5'' DG B 3 9.810 -3.233 1.219 1.00 10.00 H new ATOM 0 H4' DG B 3 7.951 -4.557 2.366 1.00 10.00 H new ATOM 0 H3' DG B 3 8.453 -4.280 -0.390 1.00 10.00 H new ATOM 0 H2' DG B 3 6.898 -2.465 -0.733 1.00 10.00 H new ATOM 0 H2'' DG B 3 5.909 -3.867 -1.084 1.00 10.00 H new ATOM 0 H1' DG B 3 4.874 -3.857 1.046 1.00 10.00 H new ATOM 0 H8 DG B 3 6.447 -0.405 0.228 1.00 10.00 H new ATOM 0 H1 DG B 3 0.181 -0.375 1.717 1.00 10.00 H new ATOM 0 H21 DG B 3 0.667 -3.774 2.417 1.00 10.00 H new ATOM 0 H22 DG B 3 -0.456 -2.411 2.364 1.00 10.00 H new ATOM 287 P DC B 4 6.914 -6.594 -0.902 1.00 10.00 P ATOM 288 OP1 DC B 4 7.376 -7.960 -0.566 1.00 10.00 O ATOM 289 OP2 DC B 4 7.427 -5.920 -2.116 1.00 10.00 O ATOM 290 O5' DC B 4 5.306 -6.602 -0.970 1.00 10.00 O ATOM 291 C5' DC B 4 4.529 -7.355 -0.054 1.00 10.00 C ATOM 292 C4' DC B 4 3.046 -7.041 -0.266 1.00 10.00 C ATOM 293 O4' DC B 4 2.843 -5.659 -0.063 1.00 10.00 O ATOM 294 C3' DC B 4 2.573 -7.372 -1.687 1.00 10.00 C ATOM 295 O3' DC B 4 1.767 -8.540 -1.681 1.00 10.00 O ATOM 296 C2' DC B 4 1.799 -6.130 -2.115 1.00 10.00 C ATOM 297 C1' DC B 4 1.761 -5.247 -0.867 1.00 10.00 C ATOM 298 N1 DC B 4 1.965 -3.835 -1.265 1.00 10.00 N ATOM 299 C2 DC B 4 0.914 -2.920 -1.187 1.00 10.00 C ATOM 300 O2 DC B 4 -0.202 -3.255 -0.797 1.00 10.00 O ATOM 301 N3 DC B 4 1.155 -1.630 -1.561 1.00 10.00 N ATOM 302 C4 DC B 4 2.361 -1.254 -2.017 1.00 10.00 C ATOM 303 N4 DC B 4 2.543 0.021 -2.366 1.00 10.00 N ATOM 304 C5 DC B 4 3.441 -2.193 -2.134 1.00 10.00 C ATOM 305 C6 DC B 4 3.190 -3.460 -1.749 1.00 10.00 C ATOM 0 H5' DC B 4 4.820 -7.116 0.969 1.00 10.00 H new ATOM 0 H5'' DC B 4 4.710 -8.420 -0.196 1.00 10.00 H new ATOM 0 H4' DC B 4 2.481 -7.651 0.438 1.00 10.00 H new ATOM 0 H3' DC B 4 3.388 -7.592 -2.377 1.00 10.00 H new ATOM 0 H2' DC B 4 2.292 -5.623 -2.944 1.00 10.00 H new ATOM 0 H2'' DC B 4 0.794 -6.386 -2.450 1.00 10.00 H new ATOM 0 H1' DC B 4 0.810 -5.332 -0.341 1.00 10.00 H new ATOM 0 H41 DC B 4 3.450 0.330 -2.715 1.00 10.00 H new ATOM 0 H42 DC B 4 1.775 0.687 -2.284 1.00 10.00 H new ATOM 0 H5 DC B 4 4.409 -1.898 -2.513 1.00 10.00 H new ATOM 0 H6 DC B 4 3.975 -4.198 -1.824 1.00 10.00 H new ATOM 317 P DA B 5 1.389 -9.346 -3.035 1.00 10.00 P ATOM 318 OP1 DA B 5 0.909 -10.688 -2.637 1.00 10.00 O ATOM 319 OP2 DA B 5 2.527 -9.233 -3.974 1.00 10.00 O ATOM 320 O5' DA B 5 0.142 -8.542 -3.678 1.00 10.00 O ATOM 321 C5' DA B 5 -1.148 -8.570 -3.093 1.00 10.00 C ATOM 322 C4' DA B 5 -2.180 -7.968 -4.053 1.00 10.00 C ATOM 323 O4' DA B 5 -1.828 -6.652 -4.456 1.00 10.00 O ATOM 324 C3' DA B 5 -2.336 -8.803 -5.334 1.00 10.00 C ATOM 325 O3' DA B 5 -3.561 -9.517 -5.290 1.00 10.00 O ATOM 326 C2' DA B 5 -2.264 -7.759 -6.452 1.00 10.00 C ATOM 327 C1' DA B 5 -2.413 -6.426 -5.725 1.00 10.00 C ATOM 328 N9 DA B 5 -1.734 -5.327 -6.440 1.00 10.00 N ATOM 329 C8 DA B 5 -0.417 -5.270 -6.787 1.00 10.00 C ATOM 330 N7 DA B 5 -0.040 -4.140 -7.316 1.00 10.00 N ATOM 331 C5 DA B 5 -1.207 -3.386 -7.324 1.00 10.00 C ATOM 332 C6 DA B 5 -1.491 -2.064 -7.726 1.00 10.00 C ATOM 333 N6 DA B 5 -0.556 -1.240 -8.213 1.00 10.00 N ATOM 334 N1 DA B 5 -2.753 -1.612 -7.603 1.00 10.00 N ATOM 335 C2 DA B 5 -3.684 -2.426 -7.108 1.00 10.00 C ATOM 336 N3 DA B 5 -3.546 -3.683 -6.689 1.00 10.00 N ATOM 337 C4 DA B 5 -2.260 -4.112 -6.820 1.00 10.00 C ATOM 0 H5' DA B 5 -1.143 -8.011 -2.157 1.00 10.00 H new ATOM 0 H5'' DA B 5 -1.422 -9.597 -2.850 1.00 10.00 H new ATOM 0 H4' DA B 5 -3.115 -7.957 -3.493 1.00 10.00 H new ATOM 0 H3' DA B 5 -1.575 -9.571 -5.477 1.00 10.00 H new ATOM 0 H2' DA B 5 -1.318 -7.816 -6.991 1.00 10.00 H new ATOM 0 H2'' DA B 5 -3.057 -7.904 -7.185 1.00 10.00 H new ATOM 0 H1' DA B 5 -3.456 -6.116 -5.656 1.00 10.00 H new ATOM 0 H8 DA B 5 0.261 -6.097 -6.635 1.00 10.00 H new ATOM 0 H61 DA B 5 -0.807 -0.291 -8.491 1.00 10.00 H new ATOM 0 H62 DA B 5 0.408 -1.561 -8.306 1.00 10.00 H new ATOM 0 H2 DA B 5 -4.680 -2.014 -7.037 1.00 10.00 H new ATOM 349 P DT B 6 -4.001 -10.562 -6.444 1.00 10.00 P ATOM 350 OP1 DT B 6 -5.000 -11.491 -5.872 1.00 10.00 O ATOM 351 OP2 DT B 6 -2.785 -11.098 -7.095 1.00 10.00 O ATOM 352 O5' DT B 6 -4.754 -9.606 -7.498 1.00 10.00 O ATOM 353 C5' DT B 6 -5.990 -9.003 -7.176 1.00 10.00 C ATOM 354 C4' DT B 6 -6.361 -7.933 -8.204 1.00 10.00 C ATOM 355 O4' DT B 6 -5.446 -6.856 -8.158 1.00 10.00 O ATOM 356 C3' DT B 6 -6.327 -8.406 -9.658 1.00 10.00 C ATOM 357 O3' DT B 6 -7.553 -8.987 -10.049 1.00 10.00 O ATOM 358 C2' DT B 6 -6.039 -7.117 -10.428 1.00 10.00 C ATOM 359 C1' DT B 6 -5.614 -6.112 -9.349 1.00 10.00 C ATOM 360 N1 DT B 6 -4.349 -5.415 -9.704 1.00 10.00 N ATOM 361 C2 DT B 6 -4.379 -4.039 -9.925 1.00 10.00 C ATOM 362 O2 DT B 6 -5.399 -3.360 -9.833 1.00 10.00 O ATOM 363 N3 DT B 6 -3.173 -3.448 -10.265 1.00 10.00 N ATOM 364 C4 DT B 6 -1.954 -4.092 -10.406 1.00 10.00 C ATOM 365 O4 DT B 6 -0.952 -3.445 -10.704 1.00 10.00 O ATOM 366 C5 DT B 6 -2.006 -5.523 -10.164 1.00 10.00 C ATOM 367 C7 DT B 6 -0.740 -6.345 -10.310 1.00 10.00 C ATOM 368 C6 DT B 6 -3.176 -6.125 -9.829 1.00 10.00 C ATOM 0 H5' DT B 6 -5.933 -8.555 -6.184 1.00 10.00 H new ATOM 0 H5'' DT B 6 -6.771 -9.763 -7.138 1.00 10.00 H new ATOM 0 H4' DT B 6 -7.379 -7.657 -7.929 1.00 10.00 H new ATOM 0 H3' DT B 6 -5.587 -9.186 -9.837 1.00 10.00 H new ATOM 0 H2' DT B 6 -5.251 -7.263 -11.167 1.00 10.00 H new ATOM 0 H2'' DT B 6 -6.921 -6.771 -10.967 1.00 10.00 H new ATOM 0 HO3' DT B 6 -7.495 -9.276 -10.984 1.00 10.00 H new ATOM 0 H1' DT B 6 -6.370 -5.334 -9.240 1.00 10.00 H new ATOM 0 H3 DT B 6 -3.183 -2.441 -10.427 1.00 10.00 H new ATOM 0 H71 DT B 6 -0.779 -7.197 -9.632 1.00 10.00 H new ATOM 0 H72 DT B 6 -0.654 -6.702 -11.336 1.00 10.00 H new ATOM 0 H73 DT B 6 0.125 -5.728 -10.067 1.00 10.00 H new ATOM 0 H6 DT B 6 -3.187 -7.191 -9.656 1.00 10.00 H new TER 382 DT B 6 HETATM 383 O11 NF A 7 1.390 0.303 -5.317 1.00 10.00 O HETATM 384 C11 NF A 7 0.202 0.319 -5.139 1.00 10.00 C HETATM 385 N21 NF A 7 -0.538 1.490 -5.337 1.00 10.00 N HETATM 386 C12 NF A 7 0.160 2.680 -5.898 1.00 10.00 C HETATM 387 C31 NF A 7 -1.906 1.601 -5.074 1.00 10.00 C HETATM 388 O31 NF A 7 -2.472 2.650 -5.219 1.00 10.00 O HETATM 389 CX3 NF A 7 -2.631 0.377 -4.601 1.00 10.00 C HETATM 390 CXD NF A 7 -1.925 -0.840 -4.419 1.00 10.00 C HETATM 391 CXT NF A 7 -0.532 -0.904 -4.682 1.00 10.00 C HETATM 392 C91 NF A 7 0.151 -2.089 -4.519 1.00 10.00 C HETATM 393 C81 NF A 7 -0.514 -3.241 -4.074 1.00 10.00 C HETATM 394 C71 NF A 7 -1.884 -3.205 -3.782 1.00 10.00 C HETATM 395 CXN NF A 7 -2.616 -1.998 -3.965 1.00 10.00 C HETATM 396 C61 NF A 7 -4.015 -1.909 -3.710 1.00 10.00 C HETATM 397 C51 NF A 7 -4.686 -0.693 -3.899 1.00 10.00 C HETATM 398 C41 NF A 7 -3.982 0.439 -4.339 1.00 10.00 C HETATM 399 C22 NF A 7 0.525 3.744 -4.860 1.00 10.00 C HETATM 400 N32 NF A 7 1.185 3.152 -3.685 1.00 10.00 N HETATM 401 C42 NF A 7 1.806 4.139 -2.780 1.00 10.00 C HETATM 402 C52 NF A 7 1.963 3.564 -1.372 1.00 10.00 C HETATM 403 C62 NF A 7 2.875 4.426 -0.499 1.00 10.00 C HETATM 404 N72 NF A 7 2.772 4.031 0.919 1.00 10.00 N HETATM 405 C82 NF A 7 3.945 4.391 1.732 1.00 10.00 C HETATM 406 O13 NF A 7 0.990 3.875 3.676 1.00 10.00 O HETATM 407 C13 NF A 7 1.671 2.901 3.855 1.00 10.00 C HETATM 408 N23 NF A 7 3.046 2.932 3.602 1.00 10.00 N HETATM 409 C92 NF A 7 3.667 4.233 3.228 1.00 10.00 C HETATM 410 C33 NF A 7 3.884 1.819 3.714 1.00 10.00 C HETATM 411 O33 NF A 7 5.049 1.901 3.436 1.00 10.00 O HETATM 412 CX5 NF A 7 3.279 0.529 4.180 1.00 10.00 C HETATM 413 CXF NF A 7 1.894 0.463 4.478 1.00 10.00 C HETATM 414 CXV NF A 7 1.076 1.614 4.336 1.00 10.00 C HETATM 415 C93 NF A 7 -0.266 1.554 4.640 1.00 10.00 C HETATM 416 C83 NF A 7 -0.847 0.353 5.074 1.00 10.00 C HETATM 417 C73 NF A 7 -0.072 -0.808 5.199 1.00 10.00 C HETATM 418 CXP NF A 7 1.321 -0.765 4.915 1.00 10.00 C HETATM 419 C63 NF A 7 2.163 -1.906 5.052 1.00 10.00 C HETATM 420 C53 NF A 7 3.529 -1.810 4.751 1.00 10.00 C HETATM 421 C43 NF A 7 4.069 -0.591 4.314 1.00 10.00 C HETATM 0 H922 NF A 7 4.604 4.345 3.774 1.00 10.00 H new HETATM 0 H912 NF A 7 3.011 5.041 3.551 1.00 10.00 H new HETATM 0 H822 NF A 7 4.790 3.762 1.450 1.00 10.00 H new HETATM 0 H812 NF A 7 4.231 5.422 1.522 1.00 10.00 H new HETATM 0 H722 NF A 7 1.944 4.468 1.324 1.00 10.00 H new HETATM 0 H712 NF A 7 2.632 3.022 0.971 1.00 10.00 H new HETATM 0 H622 NF A 7 3.907 4.326 -0.835 1.00 10.00 H new HETATM 0 H612 NF A 7 2.604 5.476 -0.609 1.00 10.00 H new HETATM 0 H522 NF A 7 0.983 3.483 -0.902 1.00 10.00 H new HETATM 0 H512 NF A 7 2.370 2.555 -1.436 1.00 10.00 H new HETATM 0 H422 NF A 7 2.781 4.432 -3.169 1.00 10.00 H new HETATM 0 H412 NF A 7 1.194 5.040 -2.743 1.00 10.00 H new HETATM 0 H322 NF A 7 0.499 2.609 -3.160 1.00 10.00 H new HETATM 0 H312 NF A 7 1.902 2.500 -4.003 1.00 10.00 H new HETATM 0 H222 NF A 7 1.184 4.484 -5.314 1.00 10.00 H new HETATM 0 H212 NF A 7 -0.376 4.270 -4.545 1.00 10.00 H new HETATM 0 H122 NF A 7 1.070 2.350 -6.398 1.00 10.00 H new HETATM 0 H112 NF A 7 -0.475 3.134 -6.659 1.00 10.00 H new HETATM 0 H93 NF A 7 -0.882 2.448 4.543 1.00 10.00 H new HETATM 0 H91 NF A 7 1.218 -2.132 -4.738 1.00 10.00 H new HETATM 0 H83 NF A 7 -1.909 0.323 5.316 1.00 10.00 H new HETATM 0 H81 NF A 7 0.040 -4.172 -3.954 1.00 10.00 H new HETATM 0 H73 NF A 7 -0.536 -1.743 5.513 1.00 10.00 H new HETATM 0 H71 NF A 7 -2.388 -4.099 -3.416 1.00 10.00 H new HETATM 0 H63 NF A 7 1.745 -2.854 5.391 1.00 10.00 H new HETATM 0 H61 NF A 7 -4.563 -2.787 -3.368 1.00 10.00 H new HETATM 0 H53 NF A 7 4.172 -2.684 4.857 1.00 10.00 H new HETATM 0 H51 NF A 7 -5.756 -0.626 -3.704 1.00 10.00 H new HETATM 0 H43 NF A 7 5.131 -0.529 4.077 1.00 10.00 H new HETATM 0 H41 NF A 7 -4.512 1.381 -4.475 1.00 10.00 H new