USER MOD reduce.3.24.130724 H: found=0, std=0, add=170, rem=0, adj=5 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 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl 150:sc=-0.00524 (180deg=-0.00524) 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 26:sc= 0.0117 USER MOD Single : B 2 DT C7 :methyl -30:sc= -0.0547 (180deg=-0.0636) 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 -9.242 12.222 -3.330 1.00 10.00 O ATOM 2 C5' DA A 1 -10.534 11.839 -2.906 1.00 10.00 C ATOM 3 C4' DA A 1 -10.627 10.320 -2.734 1.00 10.00 C ATOM 4 O4' DA A 1 -10.302 9.649 -3.939 1.00 10.00 O ATOM 5 C3' DA A 1 -9.655 9.768 -1.694 1.00 10.00 C ATOM 6 O3' DA A 1 -10.178 9.894 -0.383 1.00 10.00 O ATOM 7 C2' DA A 1 -9.519 8.317 -2.144 1.00 10.00 C ATOM 8 C1' DA A 1 -9.897 8.326 -3.624 1.00 10.00 C ATOM 9 N9 DA A 1 -8.761 7.908 -4.464 1.00 10.00 N ATOM 10 C8 DA A 1 -7.710 8.674 -4.862 1.00 10.00 C ATOM 11 N7 DA A 1 -6.875 8.078 -5.667 1.00 10.00 N ATOM 12 C5 DA A 1 -7.411 6.801 -5.795 1.00 10.00 C ATOM 13 C6 DA A 1 -7.012 5.655 -6.517 1.00 10.00 C ATOM 14 N6 DA A 1 -5.938 5.632 -7.316 1.00 10.00 N ATOM 15 N1 DA A 1 -7.745 4.533 -6.388 1.00 10.00 N ATOM 16 C2 DA A 1 -8.818 4.544 -5.599 1.00 10.00 C ATOM 17 N3 DA A 1 -9.307 5.555 -4.885 1.00 10.00 N ATOM 18 C4 DA A 1 -8.546 6.674 -5.030 1.00 10.00 C ATOM 0 H5' DA A 1 -11.273 12.172 -3.634 1.00 10.00 H new ATOM 0 H5'' DA A 1 -10.772 12.331 -1.963 1.00 10.00 H new ATOM 0 H4' DA A 1 -11.657 10.146 -2.421 1.00 10.00 H new ATOM 0 H3' DA A 1 -8.700 10.290 -1.641 1.00 10.00 H new ATOM 0 H2' DA A 1 -8.502 7.952 -1.998 1.00 10.00 H new ATOM 0 H2'' DA A 1 -10.177 7.663 -1.572 1.00 10.00 H new ATOM 0 HO5' DA A 1 -9.207 13.196 -3.435 1.00 10.00 H new ATOM 0 H1' DA A 1 -10.703 7.619 -3.818 1.00 10.00 H new ATOM 0 H8 DA A 1 -7.577 9.695 -4.537 1.00 10.00 H new ATOM 0 H61 DA A 1 -5.693 4.778 -7.816 1.00 10.00 H new ATOM 0 H62 DA A 1 -5.365 6.469 -7.425 1.00 10.00 H new ATOM 0 H2 DA A 1 -9.361 3.613 -5.530 1.00 10.00 H new ATOM 31 P DT A 2 -9.272 9.621 0.928 1.00 10.00 P ATOM 32 OP1 DT A 2 -10.077 9.968 2.121 1.00 10.00 O ATOM 33 OP2 DT A 2 -7.957 10.266 0.720 1.00 10.00 O ATOM 34 O5' DT A 2 -9.049 8.025 0.916 1.00 10.00 O ATOM 35 C5' DT A 2 -10.048 7.123 1.357 1.00 10.00 C ATOM 36 C4' DT A 2 -9.593 5.688 1.071 1.00 10.00 C ATOM 37 O4' DT A 2 -9.276 5.552 -0.301 1.00 10.00 O ATOM 38 C3' DT A 2 -8.333 5.305 1.852 1.00 10.00 C ATOM 39 O3' DT A 2 -8.690 4.647 3.058 1.00 10.00 O ATOM 40 C2' DT A 2 -7.576 4.404 0.881 1.00 10.00 C ATOM 41 C1' DT A 2 -8.320 4.521 -0.453 1.00 10.00 C ATOM 42 N1 DT A 2 -7.380 4.879 -1.541 1.00 10.00 N ATOM 43 C2 DT A 2 -7.162 3.993 -2.596 1.00 10.00 C ATOM 44 O2 DT A 2 -7.748 2.919 -2.710 1.00 10.00 O ATOM 45 N3 DT A 2 -6.218 4.387 -3.534 1.00 10.00 N ATOM 46 C4 DT A 2 -5.489 5.569 -3.511 1.00 10.00 C ATOM 47 O4 DT A 2 -4.639 5.780 -4.373 1.00 10.00 O ATOM 48 C5 DT A 2 -5.817 6.456 -2.407 1.00 10.00 C ATOM 49 C7 DT A 2 -5.147 7.811 -2.284 1.00 10.00 C ATOM 50 C6 DT A 2 -6.722 6.078 -1.473 1.00 10.00 C ATOM 0 H5' DT A 2 -10.990 7.327 0.847 1.00 10.00 H new ATOM 0 H5'' DT A 2 -10.228 7.254 2.424 1.00 10.00 H new ATOM 0 H4' DT A 2 -10.417 5.040 1.371 1.00 10.00 H new ATOM 0 H3' DT A 2 -7.723 6.153 2.165 1.00 10.00 H new ATOM 0 H2' DT A 2 -6.538 4.721 0.780 1.00 10.00 H new ATOM 0 H2'' DT A 2 -7.562 3.372 1.233 1.00 10.00 H new ATOM 0 H1' DT A 2 -8.791 3.573 -0.712 1.00 10.00 H new ATOM 0 H3 DT A 2 -6.044 3.750 -4.311 1.00 10.00 H new ATOM 0 H71 DT A 2 -5.825 8.509 -1.794 1.00 10.00 H new ATOM 0 H72 DT A 2 -4.236 7.714 -1.693 1.00 10.00 H new ATOM 0 H73 DT A 2 -4.897 8.185 -3.277 1.00 10.00 H new ATOM 0 H6 DT A 2 -6.931 6.743 -0.648 1.00 10.00 H new ATOM 63 P DG A 3 -7.593 4.094 4.113 1.00 10.00 P ATOM 64 OP1 DG A 3 -8.195 4.142 5.463 1.00 10.00 O ATOM 65 OP2 DG A 3 -6.310 4.788 3.860 1.00 10.00 O ATOM 66 O5' DG A 3 -7.395 2.539 3.713 1.00 10.00 O ATOM 67 C5' DG A 3 -8.444 1.590 3.816 1.00 10.00 C ATOM 68 C4' DG A 3 -7.904 0.165 3.618 1.00 10.00 C ATOM 69 O4' DG A 3 -6.987 0.100 2.530 1.00 10.00 O ATOM 70 C3' DG A 3 -7.177 -0.344 4.865 1.00 10.00 C ATOM 71 O3' DG A 3 -7.469 -1.726 5.009 1.00 10.00 O ATOM 72 C2' DG A 3 -5.721 -0.071 4.517 1.00 10.00 C ATOM 73 C1' DG A 3 -5.703 -0.289 3.004 1.00 10.00 C ATOM 74 N9 DG A 3 -4.654 0.503 2.315 1.00 10.00 N ATOM 75 C8 DG A 3 -4.339 1.830 2.477 1.00 10.00 C ATOM 76 N7 DG A 3 -3.354 2.244 1.730 1.00 10.00 N ATOM 77 C5 DG A 3 -2.991 1.116 1.006 1.00 10.00 C ATOM 78 C6 DG A 3 -1.956 0.947 0.037 1.00 10.00 C ATOM 79 O6 DG A 3 -1.140 1.783 -0.341 1.00 10.00 O ATOM 80 N1 DG A 3 -1.936 -0.334 -0.506 1.00 10.00 N ATOM 81 C2 DG A 3 -2.806 -1.345 -0.143 1.00 10.00 C ATOM 82 N2 DG A 3 -2.661 -2.523 -0.758 1.00 10.00 N ATOM 83 N3 DG A 3 -3.755 -1.200 0.798 1.00 10.00 N ATOM 84 C4 DG A 3 -3.800 0.052 1.332 1.00 10.00 C ATOM 0 H5' DG A 3 -9.209 1.802 3.069 1.00 10.00 H new ATOM 0 H5'' DG A 3 -8.921 1.672 4.793 1.00 10.00 H new ATOM 0 H4' DG A 3 -8.775 -0.458 3.414 1.00 10.00 H new ATOM 0 H3' DG A 3 -7.455 0.120 5.812 1.00 10.00 H new ATOM 0 H2' DG A 3 -5.421 0.942 4.786 1.00 10.00 H new ATOM 0 H2'' DG A 3 -5.044 -0.751 5.034 1.00 10.00 H new ATOM 0 H1' DG A 3 -5.475 -1.334 2.792 1.00 10.00 H new ATOM 0 H8 DG A 3 -4.863 2.476 3.165 1.00 10.00 H new ATOM 0 H1 DG A 3 -1.235 -0.540 -1.217 1.00 10.00 H new ATOM 0 H21 DG A 3 -3.279 -3.300 -0.524 1.00 10.00 H new ATOM 0 H22 DG A 3 -1.932 -2.645 -1.461 1.00 10.00 H new ATOM 96 P DC A 4 -6.964 -2.599 6.273 1.00 10.00 P ATOM 97 OP1 DC A 4 -8.037 -3.551 6.636 1.00 10.00 O ATOM 98 OP2 DC A 4 -6.417 -1.680 7.296 1.00 10.00 O ATOM 99 O5' DC A 4 -5.739 -3.431 5.640 1.00 10.00 O ATOM 100 C5' DC A 4 -5.958 -4.571 4.827 1.00 10.00 C ATOM 101 C4' DC A 4 -4.632 -5.007 4.199 1.00 10.00 C ATOM 102 O4' DC A 4 -4.121 -3.924 3.452 1.00 10.00 O ATOM 103 C3' DC A 4 -3.570 -5.386 5.241 1.00 10.00 C ATOM 104 O3' DC A 4 -3.380 -6.791 5.273 1.00 10.00 O ATOM 105 C2' DC A 4 -2.321 -4.642 4.781 1.00 10.00 C ATOM 106 C1' DC A 4 -2.717 -4.034 3.435 1.00 10.00 C ATOM 107 N1 DC A 4 -2.128 -2.682 3.314 1.00 10.00 N ATOM 108 C2 DC A 4 -1.126 -2.434 2.375 1.00 10.00 C ATOM 109 O2 DC A 4 -0.722 -3.314 1.619 1.00 10.00 O ATOM 110 N3 DC A 4 -0.593 -1.180 2.321 1.00 10.00 N ATOM 111 C4 DC A 4 -1.007 -0.219 3.161 1.00 10.00 C ATOM 112 N4 DC A 4 -0.425 0.976 3.091 1.00 10.00 N ATOM 113 C5 DC A 4 -2.028 -0.459 4.139 1.00 10.00 C ATOM 114 C6 DC A 4 -2.551 -1.702 4.173 1.00 10.00 C ATOM 0 H5' DC A 4 -6.685 -4.342 4.048 1.00 10.00 H new ATOM 0 H5'' DC A 4 -6.375 -5.382 5.423 1.00 10.00 H new ATOM 0 H4' DC A 4 -4.837 -5.886 3.588 1.00 10.00 H new ATOM 0 H3' DC A 4 -3.848 -5.114 6.259 1.00 10.00 H new ATOM 0 H2' DC A 4 -2.031 -3.872 5.496 1.00 10.00 H new ATOM 0 H2'' DC A 4 -1.471 -5.317 4.678 1.00 10.00 H new ATOM 0 H1' DC A 4 -2.368 -4.644 2.602 1.00 10.00 H new ATOM 0 H41 DC A 4 -0.720 1.725 3.718 1.00 10.00 H new ATOM 0 H42 DC A 4 0.316 1.143 2.411 1.00 10.00 H new ATOM 0 H5 DC A 4 -2.361 0.316 4.814 1.00 10.00 H new ATOM 0 H6 DC A 4 -3.322 -1.930 4.895 1.00 10.00 H new ATOM 126 P DA A 5 -2.593 -7.536 6.479 1.00 10.00 P ATOM 127 OP1 DA A 5 -2.899 -8.981 6.387 1.00 10.00 O ATOM 128 OP2 DA A 5 -2.885 -6.813 7.736 1.00 10.00 O ATOM 129 O5' DA A 5 -1.021 -7.338 6.153 1.00 10.00 O ATOM 130 C5' DA A 5 -0.381 -8.036 5.099 1.00 10.00 C ATOM 131 C4' DA A 5 1.139 -7.852 5.182 1.00 10.00 C ATOM 132 O4' DA A 5 1.516 -6.483 5.202 1.00 10.00 O ATOM 133 C3' DA A 5 1.732 -8.498 6.445 1.00 10.00 C ATOM 134 O3' DA A 5 2.414 -9.691 6.094 1.00 10.00 O ATOM 135 C2' DA A 5 2.644 -7.404 7.010 1.00 10.00 C ATOM 136 C1' DA A 5 2.763 -6.398 5.870 1.00 10.00 C ATOM 137 N9 DA A 5 3.026 -5.031 6.361 1.00 10.00 N ATOM 138 C8 DA A 5 2.263 -4.313 7.234 1.00 10.00 C ATOM 139 N7 DA A 5 2.652 -3.082 7.413 1.00 10.00 N ATOM 140 C5 DA A 5 3.770 -2.978 6.594 1.00 10.00 C ATOM 141 C6 DA A 5 4.634 -1.907 6.282 1.00 10.00 C ATOM 142 N6 DA A 5 4.472 -0.678 6.785 1.00 10.00 N ATOM 143 N1 DA A 5 5.649 -2.130 5.427 1.00 10.00 N ATOM 144 C2 DA A 5 5.800 -3.346 4.905 1.00 10.00 C ATOM 145 N3 DA A 5 5.052 -4.429 5.106 1.00 10.00 N ATOM 146 C4 DA A 5 4.031 -4.175 5.972 1.00 10.00 C ATOM 0 H5' DA A 5 -0.746 -7.672 4.139 1.00 10.00 H new ATOM 0 H5'' DA A 5 -0.629 -9.096 5.153 1.00 10.00 H new ATOM 0 H4' DA A 5 1.529 -8.337 4.287 1.00 10.00 H new ATOM 0 H3' DA A 5 0.999 -8.809 7.189 1.00 10.00 H new ATOM 0 H2' DA A 5 2.215 -6.948 7.902 1.00 10.00 H new ATOM 0 H2'' DA A 5 3.618 -7.803 7.293 1.00 10.00 H new ATOM 0 H1' DA A 5 3.604 -6.621 5.213 1.00 10.00 H new ATOM 0 H8 DA A 5 1.404 -4.732 7.737 1.00 10.00 H new ATOM 0 H61 DA A 5 5.122 0.066 6.532 1.00 10.00 H new ATOM 0 H62 DA A 5 3.699 -0.485 7.422 1.00 10.00 H new ATOM 0 H2 DA A 5 6.636 -3.469 4.233 1.00 10.00 H new ATOM 158 P DT A 6 3.080 -10.668 7.199 1.00 10.00 P ATOM 159 OP1 DT A 6 3.230 -12.012 6.599 1.00 10.00 O ATOM 160 OP2 DT A 6 2.354 -10.510 8.479 1.00 10.00 O ATOM 161 O5' DT A 6 4.549 -10.032 7.374 1.00 10.00 O ATOM 162 C5' DT A 6 5.500 -10.106 6.333 1.00 10.00 C ATOM 163 C4' DT A 6 6.701 -9.202 6.618 1.00 10.00 C ATOM 164 O4' DT A 6 6.322 -7.839 6.604 1.00 10.00 O ATOM 165 C3' DT A 6 7.345 -9.407 7.989 1.00 10.00 C ATOM 166 O3' DT A 6 8.311 -10.437 7.965 1.00 10.00 O ATOM 167 C2' DT A 6 7.976 -8.044 8.275 1.00 10.00 C ATOM 168 C1' DT A 6 7.364 -7.109 7.222 1.00 10.00 C ATOM 169 N1 DT A 6 6.833 -5.859 7.829 1.00 10.00 N ATOM 170 C2 DT A 6 7.428 -4.644 7.492 1.00 10.00 C ATOM 171 O2 DT A 6 8.364 -4.544 6.702 1.00 10.00 O ATOM 172 N3 DT A 6 6.905 -3.517 8.104 1.00 10.00 N ATOM 173 C4 DT A 6 5.857 -3.486 9.010 1.00 10.00 C ATOM 174 O4 DT A 6 5.481 -2.410 9.471 1.00 10.00 O ATOM 175 C5 DT A 6 5.293 -4.790 9.312 1.00 10.00 C ATOM 176 C7 DT A 6 4.155 -4.895 10.309 1.00 10.00 C ATOM 177 C6 DT A 6 5.790 -5.910 8.724 1.00 10.00 C ATOM 0 H5' DT A 6 5.036 -9.813 5.391 1.00 10.00 H new ATOM 0 H5'' DT A 6 5.836 -11.136 6.216 1.00 10.00 H new ATOM 0 H4' DT A 6 7.408 -9.469 5.833 1.00 10.00 H new ATOM 0 H3' DT A 6 6.634 -9.719 8.754 1.00 10.00 H new ATOM 0 H2' DT A 6 7.749 -7.706 9.286 1.00 10.00 H new ATOM 0 H2'' DT A 6 9.062 -8.083 8.188 1.00 10.00 H new ATOM 0 HO3' DT A 6 8.703 -10.539 8.857 1.00 10.00 H new ATOM 0 H1' DT A 6 8.123 -6.798 6.504 1.00 10.00 H new ATOM 0 H3 DT A 6 7.333 -2.623 7.864 1.00 10.00 H new ATOM 0 H71 DT A 6 3.522 -5.744 10.050 1.00 10.00 H new ATOM 0 H72 DT A 6 4.561 -5.037 11.311 1.00 10.00 H new ATOM 0 H73 DT A 6 3.563 -3.980 10.284 1.00 10.00 H new ATOM 0 H6 DT A 6 5.353 -6.868 8.967 1.00 10.00 H new TER 191 DT A 6 ATOM 192 O5' DA B 1 12.655 6.008 7.165 1.00 10.00 O ATOM 193 C5' DA B 1 13.780 5.405 6.562 1.00 10.00 C ATOM 194 C4' DA B 1 13.377 4.122 5.829 1.00 10.00 C ATOM 195 O4' DA B 1 12.732 3.219 6.711 1.00 10.00 O ATOM 196 C3' DA B 1 12.377 4.361 4.699 1.00 10.00 C ATOM 197 O3' DA B 1 13.034 4.757 3.508 1.00 10.00 O ATOM 198 C2' DA B 1 11.713 2.993 4.584 1.00 10.00 C ATOM 199 C1' DA B 1 11.935 2.331 5.942 1.00 10.00 C ATOM 200 N9 DA B 1 10.652 2.060 6.611 1.00 10.00 N ATOM 201 C8 DA B 1 9.891 2.940 7.316 1.00 10.00 C ATOM 202 N7 DA B 1 8.833 2.422 7.874 1.00 10.00 N ATOM 203 C5 DA B 1 8.888 1.087 7.483 1.00 10.00 C ATOM 204 C6 DA B 1 8.060 -0.028 7.736 1.00 10.00 C ATOM 205 N6 DA B 1 6.977 0.026 8.522 1.00 10.00 N ATOM 206 N1 DA B 1 8.376 -1.200 7.153 1.00 10.00 N ATOM 207 C2 DA B 1 9.454 -1.272 6.375 1.00 10.00 C ATOM 208 N3 DA B 1 10.320 -0.308 6.077 1.00 10.00 N ATOM 209 C4 DA B 1 9.976 0.865 6.674 1.00 10.00 C ATOM 0 H5' DA B 1 14.528 5.177 7.322 1.00 10.00 H new ATOM 0 H5'' DA B 1 14.240 6.101 5.861 1.00 10.00 H new ATOM 0 H4' DA B 1 14.312 3.728 5.430 1.00 10.00 H new ATOM 0 H3' DA B 1 11.666 5.167 4.883 1.00 10.00 H new ATOM 0 H2' DA B 1 10.650 3.088 4.360 1.00 10.00 H new ATOM 0 H2'' DA B 1 12.157 2.405 3.781 1.00 10.00 H new ATOM 0 HO5' DA B 1 11.978 5.324 7.351 1.00 10.00 H new ATOM 0 H1' DA B 1 12.435 1.370 5.825 1.00 10.00 H new ATOM 0 H8 DA B 1 10.144 3.986 7.406 1.00 10.00 H new ATOM 0 H61 DA B 1 6.413 -0.811 8.671 1.00 10.00 H new ATOM 0 H62 DA B 1 6.716 0.904 8.971 1.00 10.00 H new ATOM 0 H2 DA B 1 9.650 -2.236 5.929 1.00 10.00 H new ATOM 222 P DT B 2 12.218 5.313 2.227 1.00 10.00 P ATOM 223 OP1 DT B 2 13.203 5.742 1.210 1.00 10.00 O ATOM 224 OP2 DT B 2 11.202 6.273 2.713 1.00 10.00 O ATOM 225 O5' DT B 2 11.445 4.013 1.668 1.00 10.00 O ATOM 226 C5' DT B 2 12.094 3.035 0.875 1.00 10.00 C ATOM 227 C4' DT B 2 11.139 1.859 0.641 1.00 10.00 C ATOM 228 O4' DT B 2 10.667 1.367 1.881 1.00 10.00 O ATOM 229 C3' DT B 2 9.902 2.260 -0.166 1.00 10.00 C ATOM 230 O3' DT B 2 10.115 2.009 -1.546 1.00 10.00 O ATOM 231 C2' DT B 2 8.792 1.404 0.437 1.00 10.00 C ATOM 232 C1' DT B 2 9.403 0.762 1.685 1.00 10.00 C ATOM 233 N1 DT B 2 8.545 1.011 2.867 1.00 10.00 N ATOM 234 C2 DT B 2 7.923 -0.056 3.513 1.00 10.00 C ATOM 235 O2 DT B 2 8.075 -1.230 3.183 1.00 10.00 O ATOM 236 N3 DT B 2 7.094 0.277 4.575 1.00 10.00 N ATOM 237 C4 DT B 2 6.832 1.560 5.036 1.00 10.00 C ATOM 238 O4 DT B 2 6.035 1.727 5.955 1.00 10.00 O ATOM 239 C5 DT B 2 7.553 2.608 4.332 1.00 10.00 C ATOM 240 C7 DT B 2 7.413 4.058 4.755 1.00 10.00 C ATOM 241 C6 DT B 2 8.355 2.301 3.284 1.00 10.00 C ATOM 0 H5' DT B 2 13.000 2.689 1.372 1.00 10.00 H new ATOM 0 H5'' DT B 2 12.399 3.467 -0.078 1.00 10.00 H new ATOM 0 H4' DT B 2 11.709 1.111 0.090 1.00 10.00 H new ATOM 0 H3' DT B 2 9.657 3.321 -0.113 1.00 10.00 H new ATOM 0 H2' DT B 2 7.924 2.011 0.693 1.00 10.00 H new ATOM 0 H2'' DT B 2 8.454 0.646 -0.269 1.00 10.00 H new ATOM 0 H1' DT B 2 9.493 -0.317 1.556 1.00 10.00 H new ATOM 0 H3 DT B 2 6.635 -0.492 5.062 1.00 10.00 H new ATOM 0 H71 DT B 2 6.423 4.219 5.181 1.00 10.00 H new ATOM 0 H72 DT B 2 8.172 4.294 5.501 1.00 10.00 H new ATOM 0 H73 DT B 2 7.544 4.704 3.887 1.00 10.00 H new ATOM 0 H6 DT B 2 8.860 3.099 2.761 1.00 10.00 H new ATOM 254 P DG B 3 9.012 2.354 -2.679 1.00 10.00 P ATOM 255 OP1 DG B 3 9.729 2.624 -3.945 1.00 10.00 O ATOM 256 OP2 DG B 3 8.086 3.373 -2.135 1.00 10.00 O ATOM 257 O5' DG B 3 8.179 0.982 -2.863 1.00 10.00 O ATOM 258 C5' DG B 3 8.774 -0.198 -3.378 1.00 10.00 C ATOM 259 C4' DG B 3 7.698 -1.254 -3.668 1.00 10.00 C ATOM 260 O4' DG B 3 6.738 -1.330 -2.619 1.00 10.00 O ATOM 261 C3' DG B 3 6.947 -0.944 -4.965 1.00 10.00 C ATOM 262 O3' DG B 3 6.742 -2.172 -5.644 1.00 10.00 O ATOM 263 C2' DG B 3 5.662 -0.306 -4.452 1.00 10.00 C ATOM 264 C1' DG B 3 5.443 -1.037 -3.128 1.00 10.00 C ATOM 265 N9 DG B 3 4.683 -0.234 -2.137 1.00 10.00 N ATOM 266 C8 DG B 3 4.862 1.079 -1.780 1.00 10.00 C ATOM 267 N7 DG B 3 4.018 1.513 -0.885 1.00 10.00 N ATOM 268 C5 DG B 3 3.233 0.401 -0.602 1.00 10.00 C ATOM 269 C6 DG B 3 2.131 0.264 0.295 1.00 10.00 C ATOM 270 O6 DG B 3 1.626 1.129 1.007 1.00 10.00 O ATOM 271 N1 DG B 3 1.623 -1.032 0.323 1.00 10.00 N ATOM 272 C2 DG B 3 2.110 -2.074 -0.445 1.00 10.00 C ATOM 273 N2 DG B 3 1.510 -3.261 -0.312 1.00 10.00 N ATOM 274 N3 DG B 3 3.124 -1.938 -1.316 1.00 10.00 N ATOM 275 C4 DG B 3 3.646 -0.680 -1.346 1.00 10.00 C ATOM 0 H5' DG B 3 9.496 -0.592 -2.662 1.00 10.00 H new ATOM 0 H5'' DG B 3 9.323 0.032 -4.291 1.00 10.00 H new ATOM 0 H4' DG B 3 8.225 -2.204 -3.757 1.00 10.00 H new ATOM 0 H3' DG B 3 7.449 -0.288 -5.677 1.00 10.00 H new ATOM 0 H2' DG B 3 5.770 0.769 -4.310 1.00 10.00 H new ATOM 0 H2'' DG B 3 4.831 -0.455 -5.141 1.00 10.00 H new ATOM 0 H1' DG B 3 4.846 -1.932 -3.303 1.00 10.00 H new ATOM 0 H8 DG B 3 5.636 1.701 -2.204 1.00 10.00 H new ATOM 0 H1 DG B 3 0.842 -1.225 0.950 1.00 10.00 H new ATOM 0 H21 DG B 3 1.834 -4.060 -0.857 1.00 10.00 H new ATOM 0 H22 DG B 3 0.729 -3.368 0.335 1.00 10.00 H new ATOM 287 P DC B 4 6.058 -2.263 -7.103 1.00 10.00 P ATOM 288 OP1 DC B 4 6.733 -3.335 -7.868 1.00 10.00 O ATOM 289 OP2 DC B 4 5.960 -0.900 -7.671 1.00 10.00 O ATOM 290 O5' DC B 4 4.574 -2.761 -6.730 1.00 10.00 O ATOM 291 C5' DC B 4 4.312 -4.107 -6.377 1.00 10.00 C ATOM 292 C4' DC B 4 2.868 -4.225 -5.883 1.00 10.00 C ATOM 293 O4' DC B 4 2.703 -3.376 -4.767 1.00 10.00 O ATOM 294 C3' DC B 4 1.846 -3.789 -6.941 1.00 10.00 C ATOM 295 O3' DC B 4 1.206 -4.919 -7.514 1.00 10.00 O ATOM 296 C2' DC B 4 0.879 -2.904 -6.164 1.00 10.00 C ATOM 297 C1' DC B 4 1.348 -2.991 -4.710 1.00 10.00 C ATOM 298 N1 DC B 4 1.249 -1.658 -4.070 1.00 10.00 N ATOM 299 C2 DC B 4 0.325 -1.430 -3.050 1.00 10.00 C ATOM 300 O2 DC B 4 -0.433 -2.316 -2.661 1.00 10.00 O ATOM 301 N3 DC B 4 0.278 -0.188 -2.485 1.00 10.00 N ATOM 302 C4 DC B 4 1.081 0.799 -2.912 1.00 10.00 C ATOM 303 N4 DC B 4 1.011 1.989 -2.309 1.00 10.00 N ATOM 304 C5 DC B 4 2.023 0.585 -3.976 1.00 10.00 C ATOM 305 C6 DC B 4 2.065 -0.651 -4.515 1.00 10.00 C ATOM 0 H5' DC B 4 5.003 -4.433 -5.599 1.00 10.00 H new ATOM 0 H5'' DC B 4 4.469 -4.758 -7.237 1.00 10.00 H new ATOM 0 H4' DC B 4 2.693 -5.273 -5.641 1.00 10.00 H new ATOM 0 H3' DC B 4 2.290 -3.260 -7.784 1.00 10.00 H new ATOM 0 H2' DC B 4 0.905 -1.876 -6.527 1.00 10.00 H new ATOM 0 H2'' DC B 4 -0.148 -3.253 -6.269 1.00 10.00 H new ATOM 0 H1' DC B 4 0.744 -3.693 -4.136 1.00 10.00 H new ATOM 0 H41 DC B 4 1.612 2.753 -2.617 1.00 10.00 H new ATOM 0 H42 DC B 4 0.356 2.133 -1.540 1.00 10.00 H new ATOM 0 H5 DC B 4 2.667 1.377 -4.328 1.00 10.00 H new ATOM 0 H6 DC B 4 2.759 -0.852 -5.317 1.00 10.00 H new ATOM 317 P DA B 5 0.333 -4.829 -8.878 1.00 10.00 P ATOM 318 OP1 DA B 5 0.158 -6.207 -9.388 1.00 10.00 O ATOM 319 OP2 DA B 5 0.947 -3.806 -9.753 1.00 10.00 O ATOM 320 O5' DA B 5 -1.120 -4.278 -8.429 1.00 10.00 O ATOM 321 C5' DA B 5 -2.038 -5.086 -7.712 1.00 10.00 C ATOM 322 C4' DA B 5 -3.411 -4.405 -7.642 1.00 10.00 C ATOM 323 O4' DA B 5 -3.326 -3.097 -7.098 1.00 10.00 O ATOM 324 C3' DA B 5 -4.074 -4.278 -9.023 1.00 10.00 C ATOM 325 O3' DA B 5 -5.145 -5.203 -9.121 1.00 10.00 O ATOM 326 C2' DA B 5 -4.516 -2.812 -9.072 1.00 10.00 C ATOM 327 C1' DA B 5 -4.406 -2.346 -7.624 1.00 10.00 C ATOM 328 N9 DA B 5 -4.149 -0.896 -7.525 1.00 10.00 N ATOM 329 C8 DA B 5 -3.112 -0.210 -8.087 1.00 10.00 C ATOM 330 N7 DA B 5 -3.043 1.047 -7.750 1.00 10.00 N ATOM 331 C5 DA B 5 -4.124 1.208 -6.891 1.00 10.00 C ATOM 332 C6 DA B 5 -4.588 2.302 -6.133 1.00 10.00 C ATOM 333 N6 DA B 5 -3.974 3.490 -6.134 1.00 10.00 N ATOM 334 N1 DA B 5 -5.679 2.133 -5.363 1.00 10.00 N ATOM 335 C2 DA B 5 -6.278 0.943 -5.345 1.00 10.00 C ATOM 336 N3 DA B 5 -5.936 -0.165 -6.002 1.00 10.00 N ATOM 337 C4 DA B 5 -4.827 0.034 -6.768 1.00 10.00 C ATOM 0 H5' DA B 5 -1.663 -5.267 -6.705 1.00 10.00 H new ATOM 0 H5'' DA B 5 -2.132 -6.058 -8.196 1.00 10.00 H new ATOM 0 H4' DA B 5 -4.012 -5.048 -6.999 1.00 10.00 H new ATOM 0 H3' DA B 5 -3.426 -4.513 -9.867 1.00 10.00 H new ATOM 0 H2' DA B 5 -3.877 -2.224 -9.730 1.00 10.00 H new ATOM 0 H2'' DA B 5 -5.535 -2.714 -9.447 1.00 10.00 H new ATOM 0 H1' DA B 5 -5.334 -2.504 -7.075 1.00 10.00 H new ATOM 0 H8 DA B 5 -2.404 -0.673 -8.759 1.00 10.00 H new ATOM 0 H61 DA B 5 -4.344 4.256 -5.570 1.00 10.00 H new ATOM 0 H62 DA B 5 -3.136 3.630 -6.698 1.00 10.00 H new ATOM 0 H2 DA B 5 -7.153 0.866 -4.717 1.00 10.00 H new ATOM 349 P DT B 6 -6.025 -5.381 -10.467 1.00 10.00 P ATOM 350 OP1 DT B 6 -6.663 -6.715 -10.432 1.00 10.00 O ATOM 351 OP2 DT B 6 -5.200 -4.989 -11.632 1.00 10.00 O ATOM 352 O5' DT B 6 -7.175 -4.271 -10.271 1.00 10.00 O ATOM 353 C5' DT B 6 -8.154 -4.411 -9.261 1.00 10.00 C ATOM 354 C4' DT B 6 -8.954 -3.118 -9.086 1.00 10.00 C ATOM 355 O4' DT B 6 -8.134 -2.080 -8.584 1.00 10.00 O ATOM 356 C3' DT B 6 -9.545 -2.552 -10.377 1.00 10.00 C ATOM 357 O3' DT B 6 -10.807 -3.116 -10.663 1.00 10.00 O ATOM 358 C2' DT B 6 -9.650 -1.057 -10.075 1.00 10.00 C ATOM 359 C1' DT B 6 -8.825 -0.863 -8.795 1.00 10.00 C ATOM 360 N1 DT B 6 -7.864 0.266 -8.921 1.00 10.00 N ATOM 361 C2 DT B 6 -8.037 1.390 -8.114 1.00 10.00 C ATOM 362 O2 DT B 6 -8.940 1.499 -7.288 1.00 10.00 O ATOM 363 N3 DT B 6 -7.120 2.414 -8.287 1.00 10.00 N ATOM 364 C4 DT B 6 -6.059 2.423 -9.179 1.00 10.00 C ATOM 365 O4 DT B 6 -5.305 3.393 -9.221 1.00 10.00 O ATOM 366 C5 DT B 6 -5.953 1.223 -9.990 1.00 10.00 C ATOM 367 C7 DT B 6 -4.849 1.121 -11.024 1.00 10.00 C ATOM 368 C6 DT B 6 -6.840 0.206 -9.838 1.00 10.00 C ATOM 0 H5' DT B 6 -7.674 -4.675 -8.319 1.00 10.00 H new ATOM 0 H5'' DT B 6 -8.829 -5.228 -9.515 1.00 10.00 H new ATOM 0 H4' DT B 6 -9.757 -3.409 -8.408 1.00 10.00 H new ATOM 0 H3' DT B 6 -8.941 -2.770 -11.258 1.00 10.00 H new ATOM 0 H2' DT B 6 -9.256 -0.458 -10.896 1.00 10.00 H new ATOM 0 H2'' DT B 6 -10.687 -0.754 -9.929 1.00 10.00 H new ATOM 0 HO3' DT B 6 -11.157 -2.731 -11.494 1.00 10.00 H new ATOM 0 H1' DT B 6 -9.475 -0.615 -7.956 1.00 10.00 H new ATOM 0 H3 DT B 6 -7.237 3.241 -7.702 1.00 10.00 H new ATOM 0 H71 DT B 6 -4.564 0.077 -11.150 1.00 10.00 H new ATOM 0 H72 DT B 6 -5.204 1.517 -11.975 1.00 10.00 H new ATOM 0 H73 DT B 6 -3.985 1.696 -10.691 1.00 10.00 H new ATOM 0 H6 DT B 6 -6.739 -0.675 -10.454 1.00 10.00 H new TER 382 DT B 6 HETATM 383 O11 NF A 7 -1.179 3.410 -3.822 1.00 10.00 O HETATM 384 C11 NF A 7 -2.121 2.906 -3.272 1.00 10.00 C HETATM 385 N21 NF A 7 -2.845 3.604 -2.300 1.00 10.00 N HETATM 386 C12 NF A 7 -2.401 4.982 -1.950 1.00 10.00 C HETATM 387 C31 NF A 7 -3.959 3.080 -1.635 1.00 10.00 C HETATM 388 O31 NF A 7 -4.541 3.731 -0.810 1.00 10.00 O HETATM 389 CX3 NF A 7 -4.383 1.682 -1.967 1.00 10.00 C HETATM 390 CXD NF A 7 -3.662 0.932 -2.930 1.00 10.00 C HETATM 391 CXT NF A 7 -2.550 1.509 -3.597 1.00 10.00 C HETATM 392 C91 NF A 7 -1.863 0.789 -4.549 1.00 10.00 C HETATM 393 C81 NF A 7 -2.234 -0.529 -4.851 1.00 10.00 C HETATM 394 C71 NF A 7 -3.309 -1.137 -4.191 1.00 10.00 C HETATM 395 CXN NF A 7 -4.054 -0.403 -3.226 1.00 10.00 C HETATM 396 C61 NF A 7 -5.178 -0.958 -2.549 1.00 10.00 C HETATM 397 C51 NF A 7 -5.877 -0.189 -1.608 1.00 10.00 C HETATM 398 C41 NF A 7 -5.468 1.123 -1.328 1.00 10.00 C HETATM 399 C22 NF A 7 -1.501 5.060 -0.711 1.00 10.00 C HETATM 400 N32 NF A 7 -2.274 4.836 0.527 1.00 10.00 N HETATM 401 C42 NF A 7 -1.613 5.202 1.798 1.00 10.00 C HETATM 402 C52 NF A 7 -0.618 4.144 2.293 1.00 10.00 C HETATM 403 C62 NF A 7 0.853 4.429 1.974 1.00 10.00 C HETATM 404 N72 NF A 7 1.717 3.441 2.654 1.00 10.00 N HETATM 405 C82 NF A 7 3.168 3.683 2.561 1.00 10.00 C HETATM 406 O13 NF A 7 2.050 1.274 4.796 1.00 10.00 O HETATM 407 C13 NF A 7 2.787 0.680 4.055 1.00 10.00 C HETATM 408 N23 NF A 7 3.795 1.357 3.360 1.00 10.00 N HETATM 409 C92 NF A 7 3.936 2.825 3.572 1.00 10.00 C HETATM 410 C33 NF A 7 4.678 0.735 2.471 1.00 10.00 C HETATM 411 O33 NF A 7 5.521 1.371 1.899 1.00 10.00 O HETATM 412 CX5 NF A 7 4.528 -0.739 2.247 1.00 10.00 C HETATM 413 CXF NF A 7 3.508 -1.460 2.920 1.00 10.00 C HETATM 414 CXV NF A 7 2.640 -0.793 3.824 1.00 10.00 C HETATM 415 C93 NF A 7 1.660 -1.497 4.491 1.00 10.00 C HETATM 416 C83 NF A 7 1.483 -2.871 4.261 1.00 10.00 C HETATM 417 C73 NF A 7 2.311 -3.553 3.360 1.00 10.00 C HETATM 418 CXP NF A 7 3.352 -2.855 2.684 1.00 10.00 C HETATM 419 C63 NF A 7 4.243 -3.502 1.781 1.00 10.00 C HETATM 420 C53 NF A 7 5.250 -2.766 1.140 1.00 10.00 C HETATM 421 C43 NF A 7 5.379 -1.390 1.380 1.00 10.00 C HETATM 0 H922 NF A 7 4.993 3.087 3.525 1.00 10.00 H new HETATM 0 H912 NF A 7 3.591 3.070 4.576 1.00 10.00 H new HETATM 0 H822 NF A 7 3.513 3.458 1.552 1.00 10.00 H new HETATM 0 H812 NF A 7 3.376 4.738 2.742 1.00 10.00 H new HETATM 0 H722 NF A 7 1.458 3.412 3.640 1.00 10.00 H new HETATM 0 H712 NF A 7 1.519 2.519 2.266 1.00 10.00 H new HETATM 0 H622 NF A 7 1.015 4.386 0.897 1.00 10.00 H new HETATM 0 H612 NF A 7 1.115 5.437 2.296 1.00 10.00 H new HETATM 0 H522 NF A 7 -0.726 4.045 3.373 1.00 10.00 H new HETATM 0 H512 NF A 7 -0.888 3.183 1.856 1.00 10.00 H new HETATM 0 H422 NF A 7 -1.090 6.149 1.667 1.00 10.00 H new HETATM 0 H412 NF A 7 -2.374 5.361 2.562 1.00 10.00 H new HETATM 0 H322 NF A 7 -3.145 5.362 0.458 1.00 10.00 H new HETATM 0 H312 NF A 7 -2.525 3.848 0.571 1.00 10.00 H new HETATM 0 H222 NF A 7 -0.708 4.316 -0.787 1.00 10.00 H new HETATM 0 H212 NF A 7 -1.019 6.037 -0.670 1.00 10.00 H new HETATM 0 H122 NF A 7 -1.866 5.406 -2.800 1.00 10.00 H new HETATM 0 H112 NF A 7 -3.281 5.604 -1.785 1.00 10.00 H new HETATM 0 H93 NF A 7 1.016 -0.982 5.204 1.00 10.00 H new HETATM 0 H91 NF A 7 -1.024 1.248 -5.072 1.00 10.00 H new HETATM 0 H83 NF A 7 0.696 -3.411 4.787 1.00 10.00 H new HETATM 0 H81 NF A 7 -1.680 -1.086 -5.607 1.00 10.00 H new HETATM 0 H73 NF A 7 2.159 -4.617 3.177 1.00 10.00 H new HETATM 0 H71 NF A 7 -3.574 -2.170 -4.416 1.00 10.00 H new HETATM 0 H63 NF A 7 4.142 -4.570 1.588 1.00 10.00 H new HETATM 0 H61 NF A 7 -5.494 -1.979 -2.762 1.00 10.00 H new HETATM 0 H53 NF A 7 5.934 -3.265 0.453 1.00 10.00 H new HETATM 0 H51 NF A 7 -6.740 -0.611 -1.093 1.00 10.00 H new HETATM 0 H43 NF A 7 6.163 -0.828 0.874 1.00 10.00 H new HETATM 0 H41 NF A 7 -6.018 1.710 -0.592 1.00 10.00 H new