USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 188 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 Set 1.1: A 8 DT C7 :methyl 150:sc= -0.317 (180deg=0) USER MOD Set 1.2: B 12 DT C7 :methyl 150:sc= -0.305 (180deg=0) USER MOD Set 2.1: A 4 DT C7 :methyl 150:sc= -0.84 (180deg=0) USER MOD Set 2.2: B 16 DT C7 :methyl 150:sc= -0.836 (180deg=0) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 73:sc= 1.27 USER MOD Single : B 13 DT C7 :methyl -30:sc= 0 (180deg=-0.011) USER MOD Single : B 16 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -11.393 4.881 6.912 1.00 0.00 O ATOM 2 C5' DT A 1 -12.690 4.580 6.500 1.00 0.00 C ATOM 3 C4' DT A 1 -12.885 3.068 6.462 1.00 0.00 C ATOM 4 O4' DT A 1 -13.920 2.802 7.370 1.00 0.00 O ATOM 5 C3' DT A 1 -13.354 2.588 5.083 1.00 0.00 C ATOM 6 O3' DT A 1 -12.393 1.846 4.364 1.00 0.00 O ATOM 7 C2' DT A 1 -14.496 1.644 5.406 1.00 0.00 C ATOM 8 C1' DT A 1 -14.523 1.620 6.934 1.00 0.00 C ATOM 9 N1 DT A 1 -15.895 1.611 7.460 1.00 0.00 N ATOM 10 C2 DT A 1 -16.263 0.577 8.317 1.00 0.00 C ATOM 11 O2 DT A 1 -15.509 -0.330 8.650 1.00 0.00 O ATOM 12 N3 DT A 1 -17.554 0.609 8.787 1.00 0.00 N ATOM 13 C4 DT A 1 -18.498 1.569 8.484 1.00 0.00 C ATOM 14 O4 DT A 1 -19.615 1.465 8.976 1.00 0.00 O ATOM 15 C5 DT A 1 -18.032 2.629 7.593 1.00 0.00 C ATOM 16 C7 DT A 1 -18.944 3.762 7.185 1.00 0.00 C ATOM 17 C6 DT A 1 -16.763 2.624 7.123 1.00 0.00 C ATOM 0 H5' DT A 1 -12.875 5.004 5.513 1.00 0.00 H new ATOM 0 H5'' DT A 1 -13.411 5.031 7.181 1.00 0.00 H new ATOM 0 H4' DT A 1 -11.945 2.567 6.695 1.00 0.00 H new ATOM 0 H3' DT A 1 -13.595 3.450 4.461 1.00 0.00 H new ATOM 0 H2' DT A 1 -15.440 2.001 4.994 1.00 0.00 H new ATOM 0 H2'' DT A 1 -14.324 0.650 4.993 1.00 0.00 H new ATOM 0 HO5' DT A 1 -11.274 5.853 6.933 1.00 0.00 H new ATOM 0 H1' DT A 1 -14.014 0.721 7.280 1.00 0.00 H new ATOM 0 H3 DT A 1 -17.839 -0.143 9.415 1.00 0.00 H new ATOM 0 H71 DT A 1 -18.352 4.659 7.004 1.00 0.00 H new ATOM 0 H72 DT A 1 -19.477 3.490 6.274 1.00 0.00 H new ATOM 0 H73 DT A 1 -19.662 3.956 7.982 1.00 0.00 H new ATOM 0 H6 DT A 1 -16.428 3.423 6.477 1.00 0.00 H new ATOM 31 P DC A 2 -11.112 2.508 3.669 1.00 0.00 P ATOM 32 OP1 DC A 2 -11.361 3.953 3.447 1.00 0.00 O ATOM 33 OP2 DC A 2 -10.747 1.627 2.536 1.00 0.00 O ATOM 34 O5' DC A 2 -9.990 2.382 4.810 1.00 0.00 O ATOM 35 C5' DC A 2 -9.448 1.120 5.155 1.00 0.00 C ATOM 36 C4' DC A 2 -8.319 0.716 4.204 1.00 0.00 C ATOM 37 O4' DC A 2 -7.074 1.220 4.655 1.00 0.00 O ATOM 38 C3' DC A 2 -8.196 -0.796 4.056 1.00 0.00 C ATOM 39 O3' DC A 2 -8.518 -1.127 2.715 1.00 0.00 O ATOM 40 C2' DC A 2 -6.728 -1.016 4.366 1.00 0.00 C ATOM 41 C1' DC A 2 -6.075 0.347 4.182 1.00 0.00 C ATOM 42 N1 DC A 2 -4.816 0.553 4.927 1.00 0.00 N ATOM 43 C2 DC A 2 -3.695 1.104 4.282 1.00 0.00 C ATOM 44 O2 DC A 2 -3.691 1.362 3.075 1.00 0.00 O ATOM 45 N3 DC A 2 -2.561 1.359 4.989 1.00 0.00 N ATOM 46 C4 DC A 2 -2.541 1.054 6.278 1.00 0.00 C ATOM 47 N4 DC A 2 -1.458 1.385 6.933 1.00 0.00 N ATOM 48 C5 DC A 2 -3.642 0.453 6.966 1.00 0.00 C ATOM 49 C6 DC A 2 -4.761 0.219 6.250 1.00 0.00 C ATOM 0 H5' DC A 2 -10.234 0.366 5.129 1.00 0.00 H new ATOM 0 H5'' DC A 2 -9.070 1.152 6.177 1.00 0.00 H new ATOM 0 H4' DC A 2 -8.574 1.144 3.235 1.00 0.00 H new ATOM 0 H3' DC A 2 -8.846 -1.400 4.690 1.00 0.00 H new ATOM 0 H2' DC A 2 -6.591 -1.385 5.382 1.00 0.00 H new ATOM 0 H2'' DC A 2 -6.290 -1.756 3.696 1.00 0.00 H new ATOM 0 H1' DC A 2 -5.767 0.493 3.147 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.381 1.177 7.929 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.691 1.851 6.448 1.00 0.00 H new ATOM 0 H5 DC A 2 -3.580 0.198 8.014 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.618 -0.235 6.726 1.00 0.00 H new ATOM 61 P DG A 3 -8.663 -2.645 2.205 1.00 0.00 P ATOM 62 OP1 DG A 3 -9.723 -2.547 1.175 1.00 0.00 O ATOM 63 OP2 DG A 3 -8.842 -3.519 3.380 1.00 0.00 O ATOM 64 O5' DG A 3 -7.235 -2.986 1.531 1.00 0.00 O ATOM 65 C5' DG A 3 -6.915 -2.542 0.224 1.00 0.00 C ATOM 66 C4' DG A 3 -5.414 -2.493 -0.033 1.00 0.00 C ATOM 67 O4' DG A 3 -4.750 -1.664 0.885 1.00 0.00 O ATOM 68 C3' DG A 3 -4.721 -3.847 -0.026 1.00 0.00 C ATOM 69 O3' DG A 3 -4.808 -4.294 -1.358 1.00 0.00 O ATOM 70 C2' DG A 3 -3.302 -3.456 0.363 1.00 0.00 C ATOM 71 C1' DG A 3 -3.384 -1.980 0.762 1.00 0.00 C ATOM 72 N9 DG A 3 -2.789 -1.791 2.084 1.00 0.00 N ATOM 73 C8 DG A 3 -3.392 -2.102 3.255 1.00 0.00 C ATOM 74 N7 DG A 3 -2.644 -1.958 4.315 1.00 0.00 N ATOM 75 C5 DG A 3 -1.424 -1.519 3.776 1.00 0.00 C ATOM 76 C6 DG A 3 -0.160 -1.206 4.391 1.00 0.00 C ATOM 77 O6 DG A 3 0.174 -1.226 5.574 1.00 0.00 O ATOM 78 N1 DG A 3 0.815 -0.861 3.472 1.00 0.00 N ATOM 79 C2 DG A 3 0.620 -0.817 2.128 1.00 0.00 C ATOM 80 N2 DG A 3 1.674 -0.567 1.396 1.00 0.00 N ATOM 81 N3 DG A 3 -0.533 -1.081 1.516 1.00 0.00 N ATOM 82 C4 DG A 3 -1.513 -1.424 2.400 1.00 0.00 C ATOM 0 H5' DG A 3 -7.338 -1.549 0.069 1.00 0.00 H new ATOM 0 H5'' DG A 3 -7.382 -3.205 -0.504 1.00 0.00 H new ATOM 0 H4' DG A 3 -5.345 -2.088 -1.043 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.111 -4.627 0.628 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.938 -4.067 1.189 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.612 -3.601 -0.468 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.869 -1.364 0.024 1.00 0.00 H new ATOM 0 H8 DG A 3 -4.415 -2.444 3.308 1.00 0.00 H new ATOM 0 H1 DG A 3 1.741 -0.624 3.827 1.00 0.00 H new ATOM 0 H21 DG A 3 1.590 -0.521 0.380 1.00 0.00 H new ATOM 0 H22 DG A 3 2.580 -0.418 1.841 1.00 0.00 H new ATOM 94 P DT A 4 -4.508 -5.775 -1.875 1.00 0.00 P ATOM 95 OP1 DT A 4 -5.774 -6.529 -1.988 1.00 0.00 O ATOM 96 OP2 DT A 4 -3.457 -6.425 -1.066 1.00 0.00 O ATOM 97 O5' DT A 4 -3.947 -5.420 -3.334 1.00 0.00 O ATOM 98 C5' DT A 4 -4.692 -4.544 -4.171 1.00 0.00 C ATOM 99 C4' DT A 4 -4.054 -4.302 -5.536 1.00 0.00 C ATOM 100 O4' DT A 4 -2.860 -3.559 -5.345 1.00 0.00 O ATOM 101 C3' DT A 4 -3.668 -5.586 -6.261 1.00 0.00 C ATOM 102 O3' DT A 4 -3.854 -5.331 -7.640 1.00 0.00 O ATOM 103 C2' DT A 4 -2.194 -5.723 -5.933 1.00 0.00 C ATOM 104 C1' DT A 4 -1.789 -4.256 -5.945 1.00 0.00 C ATOM 105 N1 DT A 4 -0.528 -4.078 -5.200 1.00 0.00 N ATOM 106 C2 DT A 4 0.671 -4.048 -5.914 1.00 0.00 C ATOM 107 O2 DT A 4 0.737 -4.049 -7.145 1.00 0.00 O ATOM 108 N3 DT A 4 1.829 -4.025 -5.171 1.00 0.00 N ATOM 109 C4 DT A 4 1.900 -4.013 -3.793 1.00 0.00 C ATOM 110 O4 DT A 4 3.009 -3.990 -3.270 1.00 0.00 O ATOM 111 C5 DT A 4 0.605 -4.041 -3.115 1.00 0.00 C ATOM 112 C7 DT A 4 0.522 -4.057 -1.605 1.00 0.00 C ATOM 113 C6 DT A 4 -0.549 -4.085 -3.826 1.00 0.00 C ATOM 0 H5' DT A 4 -4.813 -3.587 -3.663 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.690 -4.957 -4.316 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.794 -3.779 -6.142 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.231 -6.479 -5.990 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.024 -6.195 -4.966 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.654 -6.311 -6.675 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.606 -3.881 -6.952 1.00 0.00 H new ATOM 0 H3 DT A 4 2.711 -4.016 -5.683 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.395 -3.561 -1.286 1.00 0.00 H new ATOM 0 H72 DT A 4 0.519 -5.088 -1.252 1.00 0.00 H new ATOM 0 H73 DT A 4 1.382 -3.533 -1.188 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.495 -4.126 -3.307 1.00 0.00 H new ATOM 126 P DT A 5 -4.486 -6.411 -8.639 1.00 0.00 P ATOM 127 OP1 DT A 5 -3.471 -7.446 -8.906 1.00 0.00 O ATOM 128 OP2 DT A 5 -5.028 -5.572 -9.735 1.00 0.00 O ATOM 129 O5' DT A 5 -5.692 -7.071 -7.797 1.00 0.00 O ATOM 130 C5' DT A 5 -6.689 -6.311 -7.142 1.00 0.00 C ATOM 131 C4' DT A 5 -7.733 -5.716 -8.088 1.00 0.00 C ATOM 132 O4' DT A 5 -8.430 -6.707 -8.829 1.00 0.00 O ATOM 133 C3' DT A 5 -8.778 -4.935 -7.276 1.00 0.00 C ATOM 134 O3' DT A 5 -9.007 -3.619 -7.753 1.00 0.00 O ATOM 135 C2' DT A 5 -10.061 -5.729 -7.490 1.00 0.00 C ATOM 136 C1' DT A 5 -9.615 -7.034 -8.139 1.00 0.00 C ATOM 137 N1 DT A 5 -9.396 -8.201 -7.254 1.00 0.00 N ATOM 138 C2 DT A 5 -9.445 -9.464 -7.849 1.00 0.00 C ATOM 139 O2 DT A 5 -9.635 -9.652 -9.046 1.00 0.00 O ATOM 140 N3 DT A 5 -9.320 -10.539 -7.003 1.00 0.00 N ATOM 141 C4 DT A 5 -9.163 -10.475 -5.631 1.00 0.00 C ATOM 142 O4 DT A 5 -9.081 -11.525 -5.004 1.00 0.00 O ATOM 143 C5 DT A 5 -9.123 -9.123 -5.074 1.00 0.00 C ATOM 144 C7 DT A 5 -8.958 -8.890 -3.578 1.00 0.00 C ATOM 145 C6 DT A 5 -9.249 -8.052 -5.896 1.00 0.00 C ATOM 0 H5' DT A 5 -6.211 -5.503 -6.588 1.00 0.00 H new ATOM 0 H5'' DT A 5 -7.193 -6.943 -6.411 1.00 0.00 H new ATOM 0 H4' DT A 5 -7.191 -5.074 -8.782 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.446 -4.831 -6.243 1.00 0.00 H new ATOM 0 H2' DT A 5 -10.573 -5.913 -6.546 1.00 0.00 H new ATOM 0 H2'' DT A 5 -10.758 -5.188 -8.130 1.00 0.00 H new ATOM 0 H1' DT A 5 -10.433 -7.387 -8.767 1.00 0.00 H new ATOM 0 H3 DT A 5 -9.345 -11.467 -7.425 1.00 0.00 H new ATOM 0 H71 DT A 5 -8.438 -7.946 -3.412 1.00 0.00 H new ATOM 0 H72 DT A 5 -9.939 -8.852 -3.105 1.00 0.00 H new ATOM 0 H73 DT A 5 -8.378 -9.705 -3.145 1.00 0.00 H new ATOM 0 H6 DT A 5 -9.233 -7.058 -5.473 1.00 0.00 H new ATOM 158 P DG A 6 -7.954 -2.411 -7.577 1.00 0.00 P ATOM 159 OP1 DG A 6 -8.334 -1.350 -8.524 1.00 0.00 O ATOM 160 OP2 DG A 6 -6.582 -2.969 -7.664 1.00 0.00 O ATOM 161 O5' DG A 6 -8.176 -1.853 -6.078 1.00 0.00 O ATOM 162 C5' DG A 6 -8.054 -2.693 -4.941 1.00 0.00 C ATOM 163 C4' DG A 6 -7.909 -1.949 -3.609 1.00 0.00 C ATOM 164 O4' DG A 6 -6.588 -1.941 -3.112 1.00 0.00 O ATOM 165 C3' DG A 6 -8.501 -0.554 -3.512 1.00 0.00 C ATOM 166 O3' DG A 6 -9.112 -0.431 -2.231 1.00 0.00 O ATOM 167 C2' DG A 6 -7.235 0.260 -3.638 1.00 0.00 C ATOM 168 C1' DG A 6 -6.100 -0.626 -3.102 1.00 0.00 C ATOM 169 N9 DG A 6 -4.954 -0.669 -4.016 1.00 0.00 N ATOM 170 C8 DG A 6 -5.052 -0.882 -5.351 1.00 0.00 C ATOM 171 N7 DG A 6 -3.928 -0.791 -6.005 1.00 0.00 N ATOM 172 C5 DG A 6 -2.985 -0.648 -4.976 1.00 0.00 C ATOM 173 C6 DG A 6 -1.547 -0.643 -5.009 1.00 0.00 C ATOM 174 O6 DG A 6 -0.769 -0.691 -5.965 1.00 0.00 O ATOM 175 N1 DG A 6 -0.980 -0.631 -3.750 1.00 0.00 N ATOM 176 C2 DG A 6 -1.681 -0.615 -2.585 1.00 0.00 C ATOM 177 N2 DG A 6 -0.947 -0.568 -1.495 1.00 0.00 N ATOM 178 N3 DG A 6 -3.014 -0.605 -2.506 1.00 0.00 N ATOM 179 C4 DG A 6 -3.609 -0.636 -3.741 1.00 0.00 C ATOM 0 H5' DG A 6 -7.188 -3.341 -5.076 1.00 0.00 H new ATOM 0 H5'' DG A 6 -8.930 -3.339 -4.887 1.00 0.00 H new ATOM 0 H4' DG A 6 -8.543 -2.566 -2.972 1.00 0.00 H new ATOM 0 H3' DG A 6 -9.268 -0.272 -4.234 1.00 0.00 H new ATOM 0 H2' DG A 6 -7.054 0.539 -4.676 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.309 1.186 -3.067 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.797 -0.238 -2.129 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.990 -1.110 -5.836 1.00 0.00 H new ATOM 0 H1 DG A 6 0.038 -0.634 -3.690 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.395 -0.553 -0.579 1.00 0.00 H new ATOM 0 H22 DG A 6 0.070 -0.547 -1.566 1.00 0.00 H new ATOM 191 P DC A 7 -9.767 0.937 -1.672 1.00 0.00 P ATOM 192 OP1 DC A 7 -10.693 0.562 -0.576 1.00 0.00 O ATOM 193 OP2 DC A 7 -10.238 1.743 -2.814 1.00 0.00 O ATOM 194 O5' DC A 7 -8.496 1.697 -1.019 1.00 0.00 O ATOM 195 C5' DC A 7 -7.975 1.265 0.220 1.00 0.00 C ATOM 196 C4' DC A 7 -6.574 1.781 0.537 1.00 0.00 C ATOM 197 O4' DC A 7 -5.534 1.215 -0.225 1.00 0.00 O ATOM 198 C3' DC A 7 -6.427 3.296 0.477 1.00 0.00 C ATOM 199 O3' DC A 7 -7.088 3.898 1.574 1.00 0.00 O ATOM 200 C2' DC A 7 -4.905 3.400 0.500 1.00 0.00 C ATOM 201 C1' DC A 7 -4.422 2.096 -0.139 1.00 0.00 C ATOM 202 N1 DC A 7 -3.976 2.366 -1.521 1.00 0.00 N ATOM 203 C2 DC A 7 -2.620 2.471 -1.818 1.00 0.00 C ATOM 204 O2 DC A 7 -1.766 2.389 -0.933 1.00 0.00 O ATOM 205 N3 DC A 7 -2.222 2.677 -3.100 1.00 0.00 N ATOM 206 C4 DC A 7 -3.149 2.791 -4.045 1.00 0.00 C ATOM 207 N4 DC A 7 -2.719 2.984 -5.262 1.00 0.00 N ATOM 208 C5 DC A 7 -4.553 2.740 -3.779 1.00 0.00 C ATOM 209 C6 DC A 7 -4.918 2.530 -2.492 1.00 0.00 C ATOM 0 H5' DC A 7 -7.957 0.175 0.231 1.00 0.00 H new ATOM 0 H5'' DC A 7 -8.652 1.581 1.014 1.00 0.00 H new ATOM 0 H4' DC A 7 -6.466 1.448 1.569 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.872 3.810 -0.375 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.558 4.269 -0.060 1.00 0.00 H new ATOM 0 H2'' DC A 7 -4.530 3.506 1.518 1.00 0.00 H new ATOM 0 H1' DC A 7 -3.610 1.672 0.451 1.00 0.00 H new ATOM 0 H41 DC A 7 -3.385 3.079 -6.029 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.717 3.040 -5.446 1.00 0.00 H new ATOM 0 H5 DC A 7 -5.285 2.863 -4.564 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.966 2.492 -2.233 1.00 0.00 H new ATOM 221 P DT A 8 -6.851 5.420 2.043 1.00 0.00 P ATOM 222 OP1 DT A 8 -8.157 5.922 2.526 1.00 0.00 O ATOM 223 OP2 DT A 8 -6.120 6.150 0.971 1.00 0.00 O ATOM 224 O5' DT A 8 -5.881 5.205 3.308 1.00 0.00 O ATOM 225 C5' DT A 8 -6.190 4.194 4.262 1.00 0.00 C ATOM 226 C4' DT A 8 -5.408 4.297 5.570 1.00 0.00 C ATOM 227 O4' DT A 8 -4.068 3.914 5.393 1.00 0.00 O ATOM 228 C3' DT A 8 -5.374 5.702 6.163 1.00 0.00 C ATOM 229 O3' DT A 8 -6.427 5.919 7.078 1.00 0.00 O ATOM 230 C2' DT A 8 -4.085 5.709 6.958 1.00 0.00 C ATOM 231 C1' DT A 8 -3.270 4.559 6.370 1.00 0.00 C ATOM 232 N1 DT A 8 -2.039 5.076 5.744 1.00 0.00 N ATOM 233 C2 DT A 8 -0.944 5.323 6.573 1.00 0.00 C ATOM 234 O2 DT A 8 -0.948 5.121 7.784 1.00 0.00 O ATOM 235 N3 DT A 8 0.176 5.836 5.962 1.00 0.00 N ATOM 236 C4 DT A 8 0.316 6.084 4.610 1.00 0.00 C ATOM 237 O4 DT A 8 1.382 6.522 4.195 1.00 0.00 O ATOM 238 C5 DT A 8 -0.871 5.787 3.809 1.00 0.00 C ATOM 239 C7 DT A 8 -0.883 5.972 2.308 1.00 0.00 C ATOM 240 C6 DT A 8 -1.998 5.318 4.391 1.00 0.00 C ATOM 0 H5' DT A 8 -5.998 3.219 3.814 1.00 0.00 H new ATOM 0 H5'' DT A 8 -7.256 4.237 4.486 1.00 0.00 H new ATOM 0 H4' DT A 8 -5.940 3.631 6.250 1.00 0.00 H new ATOM 0 H3' DT A 8 -5.456 6.460 5.384 1.00 0.00 H new ATOM 0 H2' DT A 8 -3.561 6.660 6.857 1.00 0.00 H new ATOM 0 H2'' DT A 8 -4.273 5.560 8.021 1.00 0.00 H new ATOM 0 HO3' DT A 8 -6.367 6.830 7.435 1.00 0.00 H new ATOM 0 H1' DT A 8 -2.987 3.859 7.157 1.00 0.00 H new ATOM 0 H3 DT A 8 0.974 6.053 6.560 1.00 0.00 H new ATOM 0 H71 DT A 8 -1.568 5.253 1.858 1.00 0.00 H new ATOM 0 H72 DT A 8 -1.210 6.984 2.069 1.00 0.00 H new ATOM 0 H73 DT A 8 0.121 5.812 1.914 1.00 0.00 H new ATOM 0 H6 DT A 8 -2.874 5.132 3.787 1.00 0.00 H new TER 254 DT A 8 ATOM 255 O5' DT B 9 12.324 -0.992 8.847 1.00 0.00 O ATOM 256 C5' DT B 9 11.046 -0.971 9.466 1.00 0.00 C ATOM 257 C4' DT B 9 10.006 -1.674 8.603 1.00 0.00 C ATOM 258 O4' DT B 9 8.784 -1.693 9.304 1.00 0.00 O ATOM 259 C3' DT B 9 9.711 -0.929 7.303 1.00 0.00 C ATOM 260 O3' DT B 9 10.433 -1.496 6.232 1.00 0.00 O ATOM 261 C2' DT B 9 8.221 -1.127 7.090 1.00 0.00 C ATOM 262 C1' DT B 9 7.770 -1.876 8.342 1.00 0.00 C ATOM 263 N1 DT B 9 6.503 -1.332 8.869 1.00 0.00 N ATOM 264 C2 DT B 9 5.373 -2.148 8.851 1.00 0.00 C ATOM 265 O2 DT B 9 5.374 -3.292 8.413 1.00 0.00 O ATOM 266 N3 DT B 9 4.219 -1.599 9.355 1.00 0.00 N ATOM 267 C4 DT B 9 4.088 -0.322 9.863 1.00 0.00 C ATOM 268 O4 DT B 9 2.980 0.048 10.227 1.00 0.00 O ATOM 269 C5 DT B 9 5.318 0.470 9.875 1.00 0.00 C ATOM 270 C7 DT B 9 5.331 1.891 10.426 1.00 0.00 C ATOM 271 C6 DT B 9 6.466 -0.052 9.372 1.00 0.00 C ATOM 0 H5' DT B 9 10.740 0.061 9.641 1.00 0.00 H new ATOM 0 H5'' DT B 9 11.103 -1.456 10.440 1.00 0.00 H new ATOM 0 H4' DT B 9 10.405 -2.663 8.378 1.00 0.00 H new ATOM 0 H3' DT B 9 9.996 0.122 7.353 1.00 0.00 H new ATOM 0 H2' DT B 9 7.702 -0.174 6.985 1.00 0.00 H new ATOM 0 H2'' DT B 9 8.019 -1.701 6.186 1.00 0.00 H new ATOM 0 HO5' DT B 9 12.334 -0.363 8.096 1.00 0.00 H new ATOM 0 H1' DT B 9 7.604 -2.928 8.108 1.00 0.00 H new ATOM 0 H3 DT B 9 3.385 -2.187 9.354 1.00 0.00 H new ATOM 0 H71 DT B 9 6.315 2.112 10.840 1.00 0.00 H new ATOM 0 H72 DT B 9 5.109 2.594 9.624 1.00 0.00 H new ATOM 0 H73 DT B 9 4.579 1.984 11.209 1.00 0.00 H new ATOM 0 H6 DT B 9 7.365 0.547 9.367 1.00 0.00 H new ATOM 285 P DC B 10 11.503 -0.611 5.442 1.00 0.00 P ATOM 286 OP1 DC B 10 12.296 -1.524 4.593 1.00 0.00 O ATOM 287 OP2 DC B 10 12.155 0.247 6.466 1.00 0.00 O ATOM 288 O5' DC B 10 10.501 0.238 4.503 1.00 0.00 O ATOM 289 C5' DC B 10 10.094 -0.292 3.248 1.00 0.00 C ATOM 290 C4' DC B 10 8.848 0.385 2.679 1.00 0.00 C ATOM 291 O4' DC B 10 7.682 -0.047 3.359 1.00 0.00 O ATOM 292 C3' DC B 10 8.852 1.913 2.657 1.00 0.00 C ATOM 293 O3' DC B 10 8.987 2.343 1.306 1.00 0.00 O ATOM 294 C2' DC B 10 7.475 2.232 3.226 1.00 0.00 C ATOM 295 C1' DC B 10 6.691 0.927 3.141 1.00 0.00 C ATOM 296 N1 DC B 10 5.575 0.746 4.094 1.00 0.00 N ATOM 297 C2 DC B 10 4.373 0.181 3.638 1.00 0.00 C ATOM 298 O2 DC B 10 4.184 -0.082 2.447 1.00 0.00 O ATOM 299 N3 DC B 10 3.362 -0.066 4.510 1.00 0.00 N ATOM 300 C4 DC B 10 3.515 0.293 5.776 1.00 0.00 C ATOM 301 N4 DC B 10 2.510 0.023 6.571 1.00 0.00 N ATOM 302 C5 DC B 10 4.690 0.939 6.270 1.00 0.00 C ATOM 303 C6 DC B 10 5.700 1.143 5.396 1.00 0.00 C ATOM 0 H5' DC B 10 9.901 -1.359 3.358 1.00 0.00 H new ATOM 0 H5'' DC B 10 10.912 -0.188 2.535 1.00 0.00 H new ATOM 0 H4' DC B 10 8.854 0.071 1.635 1.00 0.00 H new ATOM 0 H3' DC B 10 9.656 2.397 3.212 1.00 0.00 H new ATOM 0 H2' DC B 10 7.547 2.581 4.256 1.00 0.00 H new ATOM 0 H2'' DC B 10 6.987 3.022 2.655 1.00 0.00 H new ATOM 0 H1' DC B 10 6.172 0.881 2.184 1.00 0.00 H new ATOM 0 H41 DC B 10 2.560 0.272 7.559 1.00 0.00 H new ATOM 0 H42 DC B 10 1.677 -0.436 6.202 1.00 0.00 H new ATOM 0 H5 DC B 10 4.768 1.252 7.301 1.00 0.00 H new ATOM 0 H6 DC B 10 6.610 1.622 5.727 1.00 0.00 H new ATOM 315 P DG B 11 9.131 3.897 0.885 1.00 0.00 P ATOM 316 OP1 DG B 11 9.900 3.937 -0.386 1.00 0.00 O ATOM 317 OP2 DG B 11 9.597 4.672 2.049 1.00 0.00 O ATOM 318 O5' DG B 11 7.616 4.351 0.567 1.00 0.00 O ATOM 319 C5' DG B 11 6.998 3.984 -0.652 1.00 0.00 C ATOM 320 C4' DG B 11 5.482 4.075 -0.623 1.00 0.00 C ATOM 321 O4' DG B 11 4.914 3.274 0.381 1.00 0.00 O ATOM 322 C3' DG B 11 4.949 5.489 -0.478 1.00 0.00 C ATOM 323 O3' DG B 11 4.523 5.944 -1.741 1.00 0.00 O ATOM 324 C2' DG B 11 3.738 5.291 0.412 1.00 0.00 C ATOM 325 C1' DG B 11 3.607 3.772 0.554 1.00 0.00 C ATOM 326 N9 DG B 11 3.199 3.434 1.916 1.00 0.00 N ATOM 327 C8 DG B 11 4.000 3.526 3.007 1.00 0.00 C ATOM 328 N7 DG B 11 3.396 3.307 4.142 1.00 0.00 N ATOM 329 C5 DG B 11 2.081 3.014 3.754 1.00 0.00 C ATOM 330 C6 DG B 11 0.910 2.665 4.515 1.00 0.00 C ATOM 331 O6 DG B 11 0.755 2.562 5.730 1.00 0.00 O ATOM 332 N1 DG B 11 -0.196 2.413 3.724 1.00 0.00 N ATOM 333 C2 DG B 11 -0.203 2.502 2.370 1.00 0.00 C ATOM 334 N2 DG B 11 -1.336 2.216 1.780 1.00 0.00 N ATOM 335 N3 DG B 11 0.849 2.844 1.624 1.00 0.00 N ATOM 336 C4 DG B 11 1.961 3.079 2.379 1.00 0.00 C ATOM 0 H5' DG B 11 7.287 2.963 -0.902 1.00 0.00 H new ATOM 0 H5'' DG B 11 7.376 4.626 -1.448 1.00 0.00 H new ATOM 0 H4' DG B 11 5.182 3.702 -1.602 1.00 0.00 H new ATOM 0 H3' DG B 11 5.674 6.203 -0.087 1.00 0.00 H new ATOM 0 H2' DG B 11 3.876 5.769 1.382 1.00 0.00 H new ATOM 0 H2'' DG B 11 2.843 5.726 -0.033 1.00 0.00 H new ATOM 0 H1' DG B 11 2.882 3.370 -0.154 1.00 0.00 H new ATOM 0 H8 DG B 11 5.052 3.761 2.941 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.063 2.143 4.189 1.00 0.00 H new ATOM 0 H21 DG B 11 -1.408 2.264 0.764 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.147 1.946 2.337 1.00 0.00 H new ATOM 348 P DT B 12 4.901 7.396 -2.278 1.00 0.00 P ATOM 349 OP1 DT B 12 6.352 7.408 -2.591 1.00 0.00 O ATOM 350 OP2 DT B 12 4.363 8.398 -1.342 1.00 0.00 O ATOM 351 O5' DT B 12 4.061 7.438 -3.637 1.00 0.00 O ATOM 352 C5' DT B 12 4.393 6.586 -4.724 1.00 0.00 C ATOM 353 C4' DT B 12 3.357 6.622 -5.855 1.00 0.00 C ATOM 354 O4' DT B 12 2.283 5.810 -5.385 1.00 0.00 O ATOM 355 C3' DT B 12 2.804 8.046 -6.072 1.00 0.00 C ATOM 356 O3' DT B 12 2.744 8.549 -7.407 1.00 0.00 O ATOM 357 C2' DT B 12 1.452 7.976 -5.374 1.00 0.00 C ATOM 358 C1' DT B 12 1.071 6.511 -5.549 1.00 0.00 C ATOM 359 N1 DT B 12 0.028 6.140 -4.565 1.00 0.00 N ATOM 360 C2 DT B 12 -1.303 6.145 -4.997 1.00 0.00 C ATOM 361 O2 DT B 12 -1.659 6.276 -6.159 1.00 0.00 O ATOM 362 N3 DT B 12 -2.275 6.022 -4.031 1.00 0.00 N ATOM 363 C4 DT B 12 -2.058 5.857 -2.685 1.00 0.00 C ATOM 364 O4 DT B 12 -3.040 5.792 -1.934 1.00 0.00 O ATOM 365 C5 DT B 12 -0.645 5.811 -2.312 1.00 0.00 C ATOM 366 C7 DT B 12 -0.266 5.610 -0.869 1.00 0.00 C ATOM 367 C6 DT B 12 0.343 5.968 -3.236 1.00 0.00 C ATOM 0 H5' DT B 12 4.489 5.563 -4.360 1.00 0.00 H new ATOM 0 H5'' DT B 12 5.366 6.876 -5.121 1.00 0.00 H new ATOM 0 H4' DT B 12 3.799 6.288 -6.794 1.00 0.00 H new ATOM 0 H3' DT B 12 3.492 8.788 -5.667 1.00 0.00 H new ATOM 0 H2' DT B 12 1.522 8.255 -4.323 1.00 0.00 H new ATOM 0 H2'' DT B 12 0.723 8.643 -5.833 1.00 0.00 H new ATOM 0 H1' DT B 12 0.632 6.280 -6.519 1.00 0.00 H new ATOM 0 H3 DT B 12 -3.245 6.057 -4.343 1.00 0.00 H new ATOM 0 H71 DT B 12 0.689 5.088 -0.813 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.179 6.579 -0.377 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.033 5.018 -0.370 1.00 0.00 H new ATOM 0 H6 DT B 12 1.377 5.958 -2.925 1.00 0.00 H new ATOM 380 P DT B 13 1.957 7.878 -8.659 1.00 0.00 P ATOM 381 OP1 DT B 13 2.265 8.659 -9.876 1.00 0.00 O ATOM 382 OP2 DT B 13 0.543 7.660 -8.296 1.00 0.00 O ATOM 383 O5' DT B 13 2.687 6.438 -8.750 1.00 0.00 O ATOM 384 C5' DT B 13 3.753 6.168 -9.639 1.00 0.00 C ATOM 385 C4' DT B 13 5.090 6.894 -9.423 1.00 0.00 C ATOM 386 O4' DT B 13 5.056 8.275 -9.149 1.00 0.00 O ATOM 387 C3' DT B 13 6.140 6.330 -8.479 1.00 0.00 C ATOM 388 O3' DT B 13 6.631 5.129 -9.040 1.00 0.00 O ATOM 389 C2' DT B 13 7.166 7.468 -8.494 1.00 0.00 C ATOM 390 C1' DT B 13 6.394 8.689 -9.010 1.00 0.00 C ATOM 391 N1 DT B 13 6.456 9.861 -8.125 1.00 0.00 N ATOM 392 C2 DT B 13 6.781 11.111 -8.651 1.00 0.00 C ATOM 393 O2 DT B 13 7.069 11.308 -9.827 1.00 0.00 O ATOM 394 N3 DT B 13 6.797 12.158 -7.755 1.00 0.00 N ATOM 395 C4 DT B 13 6.547 12.063 -6.399 1.00 0.00 C ATOM 396 O4 DT B 13 6.628 13.078 -5.717 1.00 0.00 O ATOM 397 C5 DT B 13 6.218 10.718 -5.926 1.00 0.00 C ATOM 398 C7 DT B 13 5.914 10.448 -4.463 1.00 0.00 C ATOM 399 C6 DT B 13 6.186 9.681 -6.801 1.00 0.00 C ATOM 0 H5' DT B 13 3.410 6.398 -10.648 1.00 0.00 H new ATOM 0 H5'' DT B 13 3.949 5.096 -9.606 1.00 0.00 H new ATOM 0 H4' DT B 13 5.399 6.686 -10.447 1.00 0.00 H new ATOM 0 H3' DT B 13 5.820 6.071 -7.470 1.00 0.00 H new ATOM 0 H2' DT B 13 7.570 7.648 -7.498 1.00 0.00 H new ATOM 0 H2'' DT B 13 8.009 7.231 -9.142 1.00 0.00 H new ATOM 0 H1' DT B 13 6.846 9.016 -9.947 1.00 0.00 H new ATOM 0 H3 DT B 13 7.012 13.084 -8.125 1.00 0.00 H new ATOM 0 H71 DT B 13 6.465 11.153 -3.841 1.00 0.00 H new ATOM 0 H72 DT B 13 4.845 10.566 -4.286 1.00 0.00 H new ATOM 0 H73 DT B 13 6.214 9.431 -4.211 1.00 0.00 H new ATOM 0 H6 DT B 13 5.942 8.693 -6.441 1.00 0.00 H new ATOM 412 P DG B 14 7.861 4.276 -8.441 1.00 0.00 P ATOM 413 OP1 DG B 14 9.050 5.148 -8.307 1.00 0.00 O ATOM 414 OP2 DG B 14 7.943 3.035 -9.235 1.00 0.00 O ATOM 415 O5' DG B 14 7.372 3.863 -6.963 1.00 0.00 O ATOM 416 C5' DG B 14 7.590 4.681 -5.825 1.00 0.00 C ATOM 417 C4' DG B 14 7.551 3.869 -4.527 1.00 0.00 C ATOM 418 O4' DG B 14 6.301 3.887 -3.868 1.00 0.00 O ATOM 419 C3' DG B 14 8.052 2.442 -4.661 1.00 0.00 C ATOM 420 O3' DG B 14 8.873 2.106 -3.546 1.00 0.00 O ATOM 421 C2' DG B 14 6.725 1.725 -4.675 1.00 0.00 C ATOM 422 C1' DG B 14 5.754 2.591 -3.863 1.00 0.00 C ATOM 423 N9 DG B 14 4.464 2.743 -4.540 1.00 0.00 N ATOM 424 C8 DG B 14 4.339 3.143 -5.828 1.00 0.00 C ATOM 425 N7 DG B 14 3.129 3.084 -6.301 1.00 0.00 N ATOM 426 C5 DG B 14 2.367 2.789 -5.161 1.00 0.00 C ATOM 427 C6 DG B 14 0.944 2.731 -4.964 1.00 0.00 C ATOM 428 O6 DG B 14 0.023 2.858 -5.768 1.00 0.00 O ATOM 429 N1 DG B 14 0.586 2.527 -3.647 1.00 0.00 N ATOM 430 C2 DG B 14 1.463 2.399 -2.617 1.00 0.00 C ATOM 431 N2 DG B 14 0.908 2.215 -1.435 1.00 0.00 N ATOM 432 N3 DG B 14 2.793 2.426 -2.754 1.00 0.00 N ATOM 433 C4 DG B 14 3.183 2.635 -4.053 1.00 0.00 C ATOM 0 H5' DG B 14 6.831 5.463 -5.788 1.00 0.00 H new ATOM 0 H5'' DG B 14 8.556 5.178 -5.914 1.00 0.00 H new ATOM 0 H4' DG B 14 8.262 4.402 -3.896 1.00 0.00 H new ATOM 0 H3' DG B 14 8.683 2.214 -5.520 1.00 0.00 H new ATOM 0 H2' DG B 14 6.366 1.593 -5.696 1.00 0.00 H new ATOM 0 H2'' DG B 14 6.817 0.731 -4.238 1.00 0.00 H new ATOM 0 H1' DG B 14 5.615 2.137 -2.882 1.00 0.00 H new ATOM 0 H8 DG B 14 5.178 3.484 -6.416 1.00 0.00 H new ATOM 0 H1 DG B 14 -0.409 2.468 -3.431 1.00 0.00 H new ATOM 0 H21 DG B 14 1.494 2.109 -0.607 1.00 0.00 H new ATOM 0 H22 DG B 14 -0.108 2.178 -1.349 1.00 0.00 H new ATOM 445 P DC B 15 9.482 0.624 -3.334 1.00 0.00 P ATOM 446 OP1 DC B 15 10.680 0.829 -2.485 1.00 0.00 O ATOM 447 OP2 DC B 15 9.591 -0.043 -4.643 1.00 0.00 O ATOM 448 O5' DC B 15 8.324 -0.103 -2.476 1.00 0.00 O ATOM 449 C5' DC B 15 8.089 0.291 -1.142 1.00 0.00 C ATOM 450 C4' DC B 15 6.734 -0.144 -0.578 1.00 0.00 C ATOM 451 O4' DC B 15 5.594 0.467 -1.136 1.00 0.00 O ATOM 452 C3' DC B 15 6.546 -1.652 -0.605 1.00 0.00 C ATOM 453 O3' DC B 15 7.285 -2.237 0.458 1.00 0.00 O ATOM 454 C2' DC B 15 5.034 -1.763 -0.461 1.00 0.00 C ATOM 455 C1' DC B 15 4.493 -0.415 -0.946 1.00 0.00 C ATOM 456 N1 DC B 15 3.844 -0.594 -2.262 1.00 0.00 N ATOM 457 C2 DC B 15 2.462 -0.723 -2.366 1.00 0.00 C ATOM 458 O2 DC B 15 1.753 -0.771 -1.359 1.00 0.00 O ATOM 459 N3 DC B 15 1.874 -0.786 -3.592 1.00 0.00 N ATOM 460 C4 DC B 15 2.650 -0.748 -4.667 1.00 0.00 C ATOM 461 N4 DC B 15 2.049 -0.785 -5.831 1.00 0.00 N ATOM 462 C5 DC B 15 4.076 -0.691 -4.609 1.00 0.00 C ATOM 463 C6 DC B 15 4.628 -0.630 -3.374 1.00 0.00 C ATOM 0 H5' DC B 15 8.162 1.377 -1.080 1.00 0.00 H new ATOM 0 H5'' DC B 15 8.878 -0.118 -0.512 1.00 0.00 H new ATOM 0 H4' DC B 15 6.797 0.216 0.449 1.00 0.00 H new ATOM 0 H3' DC B 15 6.905 -2.175 -1.491 1.00 0.00 H new ATOM 0 H2' DC B 15 4.639 -2.585 -1.058 1.00 0.00 H new ATOM 0 H2'' DC B 15 4.748 -1.954 0.573 1.00 0.00 H new ATOM 0 H1' DC B 15 3.784 -0.022 -0.217 1.00 0.00 H new ATOM 0 H41 DC B 15 2.599 -0.758 -6.690 1.00 0.00 H new ATOM 0 H42 DC B 15 1.032 -0.840 -5.878 1.00 0.00 H new ATOM 0 H5 DC B 15 4.682 -0.696 -5.503 1.00 0.00 H new ATOM 0 H6 DC B 15 5.703 -0.610 -3.270 1.00 0.00 H new ATOM 475 P DT B 16 7.251 -3.808 0.814 1.00 0.00 P ATOM 476 OP1 DT B 16 8.605 -4.208 1.262 1.00 0.00 O ATOM 477 OP2 DT B 16 6.642 -4.532 -0.327 1.00 0.00 O ATOM 478 O5' DT B 16 6.287 -3.873 2.103 1.00 0.00 O ATOM 479 C5' DT B 16 6.591 -3.060 3.233 1.00 0.00 C ATOM 480 C4' DT B 16 5.837 -3.399 4.521 1.00 0.00 C ATOM 481 O4' DT B 16 4.515 -2.935 4.507 1.00 0.00 O ATOM 482 C3' DT B 16 5.771 -4.887 4.834 1.00 0.00 C ATOM 483 O3' DT B 16 6.928 -5.266 5.554 1.00 0.00 O ATOM 484 C2' DT B 16 4.518 -5.006 5.690 1.00 0.00 C ATOM 485 C1' DT B 16 3.771 -3.687 5.451 1.00 0.00 C ATOM 486 N1 DT B 16 2.426 -3.964 4.904 1.00 0.00 N ATOM 487 C2 DT B 16 1.405 -4.269 5.803 1.00 0.00 C ATOM 488 O2 DT B 16 1.536 -4.235 7.023 1.00 0.00 O ATOM 489 N3 DT B 16 0.208 -4.660 5.249 1.00 0.00 N ATOM 490 C4 DT B 16 -0.084 -4.716 3.897 1.00 0.00 C ATOM 491 O4 DT B 16 -1.209 -5.073 3.558 1.00 0.00 O ATOM 492 C5 DT B 16 1.027 -4.346 3.019 1.00 0.00 C ATOM 493 C7 DT B 16 0.897 -4.325 1.508 1.00 0.00 C ATOM 494 C6 DT B 16 2.230 -4.007 3.543 1.00 0.00 C ATOM 0 H5' DT B 16 6.383 -2.021 2.976 1.00 0.00 H new ATOM 0 H5'' DT B 16 7.660 -3.132 3.431 1.00 0.00 H new ATOM 0 H4' DT B 16 6.424 -2.894 5.288 1.00 0.00 H new ATOM 0 H3' DT B 16 5.732 -5.529 3.954 1.00 0.00 H new ATOM 0 H2' DT B 16 3.914 -5.864 5.395 1.00 0.00 H new ATOM 0 H2'' DT B 16 4.766 -5.138 6.743 1.00 0.00 H new ATOM 0 HO3' DT B 16 6.887 -6.224 5.758 1.00 0.00 H new ATOM 0 H1' DT B 16 3.663 -3.138 6.386 1.00 0.00 H new ATOM 0 H3 DT B 16 -0.533 -4.934 5.894 1.00 0.00 H new ATOM 0 H71 DT B 16 1.566 -3.570 1.096 1.00 0.00 H new ATOM 0 H72 DT B 16 1.162 -5.303 1.106 1.00 0.00 H new ATOM 0 H73 DT B 16 -0.131 -4.087 1.235 1.00 0.00 H new ATOM 0 H6 DT B 16 3.049 -3.767 2.881 1.00 0.00 H new TER 508 DT B 16