USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=6 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= -0.441 (180deg=0) USER MOD Set 1.2: B 12 DT C7 :methyl 150:sc= -0.469 (180deg=-0.0301) USER MOD Set 2.1: A 4 DT C7 :methyl 150:sc= -0.614 (180deg=-0.0307) USER MOD Set 2.2: B 16 DT C7 :methyl -30:sc= -0.731 (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 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl -30:sc= 0 (180deg=-0.026) USER MOD Single : B 16 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -13.939 5.215 1.300 1.00 0.00 O ATOM 2 C5' DT A 1 -13.760 3.845 1.474 1.00 0.00 C ATOM 3 C4' DT A 1 -14.081 3.469 2.900 1.00 0.00 C ATOM 4 O4' DT A 1 -15.465 3.332 2.980 1.00 0.00 O ATOM 5 C3' DT A 1 -13.467 2.110 3.208 1.00 0.00 C ATOM 6 O3' DT A 1 -12.357 2.238 4.052 1.00 0.00 O ATOM 7 C2' DT A 1 -14.547 1.370 3.953 1.00 0.00 C ATOM 8 C1' DT A 1 -15.678 2.389 3.980 1.00 0.00 C ATOM 9 N1 DT A 1 -16.938 1.748 3.634 1.00 0.00 N ATOM 10 C2 DT A 1 -17.932 1.777 4.598 1.00 0.00 C ATOM 11 O2 DT A 1 -17.804 2.309 5.696 1.00 0.00 O ATOM 12 N3 DT A 1 -19.093 1.141 4.265 1.00 0.00 N ATOM 13 C4 DT A 1 -19.336 0.478 3.081 1.00 0.00 C ATOM 14 O4 DT A 1 -20.422 -0.066 2.941 1.00 0.00 O ATOM 15 C5 DT A 1 -18.245 0.502 2.115 1.00 0.00 C ATOM 16 C7 DT A 1 -18.374 -0.169 0.766 1.00 0.00 C ATOM 17 C6 DT A 1 -17.087 1.134 2.411 1.00 0.00 C ATOM 0 H5' DT A 1 -12.732 3.569 1.237 1.00 0.00 H new ATOM 0 H5'' DT A 1 -14.404 3.294 0.788 1.00 0.00 H new ATOM 0 H4' DT A 1 -13.699 4.219 3.593 1.00 0.00 H new ATOM 0 H3' DT A 1 -13.134 1.610 2.299 1.00 0.00 H new ATOM 0 H2' DT A 1 -14.838 0.452 3.442 1.00 0.00 H new ATOM 0 H2'' DT A 1 -14.229 1.088 4.957 1.00 0.00 H new ATOM 0 HO5' DT A 1 -13.729 5.457 0.374 1.00 0.00 H new ATOM 0 H1' DT A 1 -15.709 2.830 4.976 1.00 0.00 H new ATOM 0 H3 DT A 1 -19.847 1.158 4.952 1.00 0.00 H new ATOM 0 H71 DT A 1 -17.765 0.363 0.035 1.00 0.00 H new ATOM 0 H72 DT A 1 -18.034 -1.202 0.839 1.00 0.00 H new ATOM 0 H73 DT A 1 -19.417 -0.152 0.450 1.00 0.00 H new ATOM 0 H6 DT A 1 -16.282 1.157 1.691 1.00 0.00 H new ATOM 31 P DC A 2 -10.940 2.655 3.480 1.00 0.00 P ATOM 32 OP1 DC A 2 -10.922 4.118 3.236 1.00 0.00 O ATOM 33 OP2 DC A 2 -10.644 1.767 2.330 1.00 0.00 O ATOM 34 O5' DC A 2 -9.977 2.304 4.713 1.00 0.00 O ATOM 35 C5' DC A 2 -9.553 0.973 4.958 1.00 0.00 C ATOM 36 C4' DC A 2 -8.333 0.668 4.092 1.00 0.00 C ATOM 37 O4' DC A 2 -7.136 1.164 4.669 1.00 0.00 O ATOM 38 C3' DC A 2 -8.153 -0.820 3.819 1.00 0.00 C ATOM 39 O3' DC A 2 -8.472 -1.033 2.445 1.00 0.00 O ATOM 40 C2' DC A 2 -6.678 -0.999 4.148 1.00 0.00 C ATOM 41 C1' DC A 2 -6.080 0.400 4.132 1.00 0.00 C ATOM 42 N1 DC A 2 -4.829 0.562 4.902 1.00 0.00 N ATOM 43 C2 DC A 2 -3.708 1.167 4.304 1.00 0.00 C ATOM 44 O2 DC A 2 -3.680 1.461 3.107 1.00 0.00 O ATOM 45 N3 DC A 2 -2.605 1.434 5.050 1.00 0.00 N ATOM 46 C4 DC A 2 -2.596 1.062 6.321 1.00 0.00 C ATOM 47 N4 DC A 2 -1.548 1.432 7.014 1.00 0.00 N ATOM 48 C5 DC A 2 -3.679 0.362 6.943 1.00 0.00 C ATOM 49 C6 DC A 2 -4.777 0.127 6.193 1.00 0.00 C ATOM 0 H5' DC A 2 -10.359 0.274 4.732 1.00 0.00 H new ATOM 0 H5'' DC A 2 -9.307 0.845 6.012 1.00 0.00 H new ATOM 0 H4' DC A 2 -8.527 1.176 3.147 1.00 0.00 H new ATOM 0 H3' DC A 2 -8.772 -1.520 4.379 1.00 0.00 H new ATOM 0 H2' DC A 2 -6.549 -1.469 5.123 1.00 0.00 H new ATOM 0 H2'' DC A 2 -6.189 -1.642 3.417 1.00 0.00 H new ATOM 0 H1' DC A 2 -5.756 0.693 3.133 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.474 1.181 8.000 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.806 1.972 6.568 1.00 0.00 H new ATOM 0 H5 DC A 2 -3.620 0.035 7.971 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.615 -0.406 6.616 1.00 0.00 H new ATOM 61 P DG A 3 -8.555 -2.497 1.773 1.00 0.00 P ATOM 62 OP1 DG A 3 -9.469 -2.293 0.610 1.00 0.00 O ATOM 63 OP2 DG A 3 -8.934 -3.447 2.830 1.00 0.00 O ATOM 64 O5' DG A 3 -7.051 -2.829 1.283 1.00 0.00 O ATOM 65 C5' DG A 3 -6.632 -2.692 -0.070 1.00 0.00 C ATOM 66 C4' DG A 3 -5.130 -2.949 -0.256 1.00 0.00 C ATOM 67 O4' DG A 3 -4.437 -1.917 0.413 1.00 0.00 O ATOM 68 C3' DG A 3 -4.578 -4.273 0.297 1.00 0.00 C ATOM 69 O3' DG A 3 -4.446 -5.384 -0.581 1.00 0.00 O ATOM 70 C2' DG A 3 -3.137 -3.881 0.600 1.00 0.00 C ATOM 71 C1' DG A 3 -3.117 -2.354 0.618 1.00 0.00 C ATOM 72 N9 DG A 3 -2.688 -1.914 1.946 1.00 0.00 N ATOM 73 C8 DG A 3 -3.371 -2.121 3.100 1.00 0.00 C ATOM 74 N7 DG A 3 -2.687 -1.894 4.188 1.00 0.00 N ATOM 75 C5 DG A 3 -1.431 -1.503 3.697 1.00 0.00 C ATOM 76 C6 DG A 3 -0.195 -1.170 4.358 1.00 0.00 C ATOM 77 O6 DG A 3 0.081 -1.135 5.555 1.00 0.00 O ATOM 78 N1 DG A 3 0.829 -0.868 3.475 1.00 0.00 N ATOM 79 C2 DG A 3 0.704 -0.892 2.125 1.00 0.00 C ATOM 80 N2 DG A 3 1.786 -0.636 1.439 1.00 0.00 N ATOM 81 N3 DG A 3 -0.411 -1.209 1.472 1.00 0.00 N ATOM 82 C4 DG A 3 -1.440 -1.500 2.316 1.00 0.00 C ATOM 0 H5' DG A 3 -6.870 -1.687 -0.419 1.00 0.00 H new ATOM 0 H5'' DG A 3 -7.195 -3.388 -0.692 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.985 -2.991 -1.335 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.259 -4.611 1.078 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.814 -4.288 1.558 1.00 0.00 H new ATOM 0 H2'' DG A 3 -2.458 -4.272 -0.157 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.446 -1.959 -0.145 1.00 0.00 H new ATOM 0 H8 DG A 3 -4.400 -2.448 3.117 1.00 0.00 H new ATOM 0 H1 DG A 3 1.735 -0.611 3.866 1.00 0.00 H new ATOM 0 H21 DG A 3 1.756 -0.639 0.419 1.00 0.00 H new ATOM 0 H22 DG A 3 2.661 -0.433 1.923 1.00 0.00 H new ATOM 94 P DT A 4 -5.644 -6.008 -1.432 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.932 -5.767 -0.752 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.299 -7.408 -1.781 1.00 0.00 O ATOM 97 O5' DT A 4 -5.573 -5.145 -2.784 1.00 0.00 O ATOM 98 C5' DT A 4 -4.924 -5.666 -3.931 1.00 0.00 C ATOM 99 C4' DT A 4 -4.677 -4.635 -5.037 1.00 0.00 C ATOM 100 O4' DT A 4 -3.581 -3.799 -4.652 1.00 0.00 O ATOM 101 C3' DT A 4 -4.217 -5.350 -6.312 1.00 0.00 C ATOM 102 O3' DT A 4 -4.470 -4.526 -7.435 1.00 0.00 O ATOM 103 C2' DT A 4 -2.721 -5.414 -6.093 1.00 0.00 C ATOM 104 C1' DT A 4 -2.502 -4.008 -5.564 1.00 0.00 C ATOM 105 N1 DT A 4 -1.150 -3.958 -4.981 1.00 0.00 N ATOM 106 C2 DT A 4 -0.078 -3.749 -5.853 1.00 0.00 C ATOM 107 O2 DT A 4 -0.197 -3.535 -7.053 1.00 0.00 O ATOM 108 N3 DT A 4 1.175 -3.829 -5.303 1.00 0.00 N ATOM 109 C4 DT A 4 1.462 -4.069 -3.979 1.00 0.00 C ATOM 110 O4 DT A 4 2.639 -4.101 -3.640 1.00 0.00 O ATOM 111 C5 DT A 4 0.294 -4.287 -3.130 1.00 0.00 C ATOM 112 C7 DT A 4 0.471 -4.562 -1.654 1.00 0.00 C ATOM 113 C6 DT A 4 -0.958 -4.259 -3.658 1.00 0.00 C ATOM 0 H5' DT A 4 -5.525 -6.480 -4.336 1.00 0.00 H new ATOM 0 H5'' DT A 4 -3.968 -6.095 -3.630 1.00 0.00 H new ATOM 0 H4' DT A 4 -5.596 -4.071 -5.198 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.703 -6.310 -6.487 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.432 -6.184 -5.377 1.00 0.00 H new ATOM 0 H2'' DT A 4 -2.168 -5.610 -7.012 1.00 0.00 H new ATOM 0 H1' DT A 4 -2.521 -3.206 -6.302 1.00 0.00 H new ATOM 0 H3 DT A 4 1.967 -3.699 -5.933 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.393 -4.184 -1.107 1.00 0.00 H new ATOM 0 H72 DT A 4 0.561 -5.636 -1.492 1.00 0.00 H new ATOM 0 H73 DT A 4 1.373 -4.064 -1.297 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.809 -4.476 -3.029 1.00 0.00 H new ATOM 126 P DT A 5 -5.170 -5.076 -8.768 1.00 0.00 P ATOM 127 OP1 DT A 5 -4.850 -6.514 -8.912 1.00 0.00 O ATOM 128 OP2 DT A 5 -4.898 -4.128 -9.867 1.00 0.00 O ATOM 129 O5' DT A 5 -6.716 -4.926 -8.358 1.00 0.00 O ATOM 130 C5' DT A 5 -7.338 -5.790 -7.430 1.00 0.00 C ATOM 131 C4' DT A 5 -8.806 -5.374 -7.307 1.00 0.00 C ATOM 132 O4' DT A 5 -9.519 -5.618 -8.515 1.00 0.00 O ATOM 133 C3' DT A 5 -9.551 -6.120 -6.187 1.00 0.00 C ATOM 134 O3' DT A 5 -10.105 -5.248 -5.219 1.00 0.00 O ATOM 135 C2' DT A 5 -10.689 -6.837 -6.903 1.00 0.00 C ATOM 136 C1' DT A 5 -10.295 -6.790 -8.375 1.00 0.00 C ATOM 137 N1 DT A 5 -9.578 -7.978 -8.898 1.00 0.00 N ATOM 138 C2 DT A 5 -9.776 -8.325 -10.235 1.00 0.00 C ATOM 139 O2 DT A 5 -10.502 -7.701 -11.003 1.00 0.00 O ATOM 140 N3 DT A 5 -9.132 -9.460 -10.669 1.00 0.00 N ATOM 141 C4 DT A 5 -8.333 -10.284 -9.900 1.00 0.00 C ATOM 142 O4 DT A 5 -7.843 -11.278 -10.423 1.00 0.00 O ATOM 143 C5 DT A 5 -8.179 -9.861 -8.511 1.00 0.00 C ATOM 144 C7 DT A 5 -7.307 -10.635 -7.541 1.00 0.00 C ATOM 145 C6 DT A 5 -8.810 -8.747 -8.067 1.00 0.00 C ATOM 0 H5' DT A 5 -6.842 -5.729 -6.461 1.00 0.00 H new ATOM 0 H5'' DT A 5 -7.262 -6.825 -7.763 1.00 0.00 H new ATOM 0 H4' DT A 5 -8.776 -4.309 -7.077 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.868 -6.778 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168 C1' DG A 6 -5.907 -0.679 -3.133 1.00 0.00 C ATOM 169 N9 DG A 6 -4.769 -0.672 -4.049 1.00 0.00 N ATOM 170 C8 DG A 6 -4.863 -0.902 -5.381 1.00 0.00 C ATOM 171 N7 DG A 6 -3.734 -0.822 -6.026 1.00 0.00 N ATOM 172 C5 DG A 6 -2.797 -0.652 -4.995 1.00 0.00 C ATOM 173 C6 DG A 6 -1.360 -0.617 -5.007 1.00 0.00 C ATOM 174 O6 DG A 6 -0.568 -0.642 -5.945 1.00 0.00 O ATOM 175 N1 DG A 6 -0.806 -0.613 -3.744 1.00 0.00 N ATOM 176 C2 DG A 6 -1.521 -0.587 -2.588 1.00 0.00 C ATOM 177 N2 DG A 6 -0.808 -0.593 -1.485 1.00 0.00 N ATOM 178 N3 DG A 6 -2.853 -0.569 -2.526 1.00 0.00 N ATOM 179 C4 DG A 6 -3.430 -0.621 -3.766 1.00 0.00 C ATOM 0 H5' DG A 6 -8.800 -2.631 -5.327 1.00 0.00 H new ATOM 0 H5'' DG A 6 -7.066 -2.790 -5.530 1.00 0.00 H new ATOM 0 H4' DG A 6 -8.203 -2.651 -2.815 1.00 0.00 H new ATOM 0 H3' DG A 6 -9.021 -0.474 -4.367 1.00 0.00 H new ATOM 0 H2' DG A 6 -6.886 0.462 -4.708 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.198 1.074 -3.096 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.646 -0.287 -2.150 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.799 -1.133 -5.869 1.00 0.00 H new ATOM 0 H1 DG A 6 0.211 -0.631 -3.672 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.273 -0.575 -0.577 1.00 0.00 H new ATOM 0 H22 DG A 6 0.210 -0.616 -1.536 1.00 0.00 H new ATOM 191 P DC A 7 -9.695 0.762 -1.828 1.00 0.00 P ATOM 192 OP1 DC A 7 -10.661 0.311 -0.794 1.00 0.00 O ATOM 193 OP2 DC A 7 -10.145 1.550 -2.987 1.00 0.00 O ATOM 194 O5' DC A 7 -8.485 1.547 -1.109 1.00 0.00 O ATOM 195 C5' DC A 7 -7.919 1.056 0.088 1.00 0.00 C ATOM 196 C4' DC A 7 -6.561 1.664 0.435 1.00 0.00 C ATOM 197 O4' DC A 7 -5.465 1.165 -0.290 1.00 0.00 O ATOM 198 C3' DC A 7 -6.504 3.184 0.396 1.00 0.00 C ATOM 199 O3' DC A 7 -7.260 3.725 1.469 1.00 0.00 O ATOM 200 C2' DC A 7 -4.992 3.373 0.482 1.00 0.00 C ATOM 201 C1' DC A 7 -4.410 2.112 -0.169 1.00 0.00 C ATOM 202 N1 DC A 7 -3.945 2.411 -1.541 1.00 0.00 N ATOM 203 C2 DC A 7 -2.586 2.530 -1.823 1.00 0.00 C ATOM 204 O2 DC A 7 -1.740 2.466 -0.930 1.00 0.00 O ATOM 205 N3 DC A 7 -2.172 2.698 -3.107 1.00 0.00 N ATOM 206 C4 DC A 7 -3.087 2.779 -4.064 1.00 0.00 C ATOM 207 N4 DC A 7 -2.641 2.911 -5.285 1.00 0.00 N ATOM 208 C5 DC A 7 -4.494 2.709 -3.818 1.00 0.00 C ATOM 209 C6 DC A 7 -4.872 2.529 -2.532 1.00 0.00 C ATOM 0 H5' DC A 7 -7.810 -0.026 0.008 1.00 0.00 H new ATOM 0 H5'' DC A 7 -8.610 1.247 0.909 1.00 0.00 H new ATOM 0 H4' DC A 7 -6.465 1.333 1.469 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.937 3.692 -0.466 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.674 4.274 -0.043 1.00 0.00 H new ATOM 0 H2'' DC A 7 -4.663 3.474 1.516 1.00 0.00 H new ATOM 0 H1' DC A 7 -3.581 1.743 0.435 1.00 0.00 H new ATOM 0 H41 DC A 7 -3.297 2.978 -6.063 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.637 2.947 -5.460 1.00 0.00 H new ATOM 0 H5 DC A 7 -5.216 2.795 -4.616 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.923 2.478 -2.288 1.00 0.00 H new ATOM 221 P DT A 8 -7.154 5.260 1.942 1.00 0.00 P ATOM 222 OP1 DT A 8 -8.540 5.607 2.350 1.00 0.00 O ATOM 223 OP2 DT A 8 -6.497 6.046 0.888 1.00 0.00 O ATOM 224 O5' DT A 8 -6.204 5.176 3.236 1.00 0.00 O ATOM 225 C5' DT A 8 -6.432 4.195 4.236 1.00 0.00 C ATOM 226 C4' DT A 8 -5.575 4.377 5.489 1.00 0.00 C ATOM 227 O4' DT A 8 -4.227 4.053 5.268 1.00 0.00 O ATOM 228 C3' DT A 8 -5.550 5.819 5.993 1.00 0.00 C ATOM 229 O3' DT A 8 -6.745 6.236 6.649 1.00 0.00 O ATOM 230 C2' DT A 8 -4.278 5.829 6.844 1.00 0.00 C ATOM 231 C1' DT A 8 -3.446 4.663 6.284 1.00 0.00 C ATOM 232 N1 DT A 8 -2.157 5.140 5.731 1.00 0.00 N ATOM 233 C2 DT A 8 -1.124 5.422 6.626 1.00 0.00 C ATOM 234 O2 DT A 8 -1.228 5.284 7.842 1.00 0.00 O ATOM 235 N3 DT A 8 0.044 5.905 6.080 1.00 0.00 N ATOM 236 C4 DT A 8 0.285 6.108 4.735 1.00 0.00 C ATOM 237 O4 DT A 8 1.380 6.535 4.393 1.00 0.00 O ATOM 238 C5 DT A 8 -0.842 5.783 3.862 1.00 0.00 C ATOM 239 C7 DT A 8 -0.745 5.909 2.358 1.00 0.00 C ATOM 240 C6 DT A 8 -2.010 5.333 4.378 1.00 0.00 C ATOM 0 H5' DT A 8 -6.237 3.209 3.815 1.00 0.00 H new ATOM 0 H5'' DT A 8 -7.484 4.218 4.521 1.00 0.00 H new ATOM 0 H4' DT A 8 -6.042 3.711 6.215 1.00 0.00 H new ATOM 0 H3' DT A 8 -5.523 6.565 5.199 1.00 0.00 H new ATOM 0 H2' DT A 8 -3.747 6.777 6.756 1.00 0.00 H new ATOM 0 H2'' DT A 8 -4.504 5.687 7.901 1.00 0.00 H new ATOM 0 HO3' DT A 8 -6.650 7.166 6.942 1.00 0.00 H new ATOM 0 H1' DT A 8 -3.205 3.953 7.075 1.00 0.00 H new ATOM 0 H3 DT A 8 0.799 6.133 6.727 1.00 0.00 H new ATOM 0 H71 DT A 8 -1.400 5.175 1.888 1.00 0.00 H new ATOM 0 H72 DT A 8 -1.049 6.911 2.057 1.00 0.00 H new ATOM 0 H73 DT A 8 0.283 5.732 2.044 1.00 0.00 H new ATOM 0 H6 DT A 8 -2.838 5.123 3.717 1.00 0.00 H new TER 254 DT A 8 ATOM 255 O5' DT B 9 16.333 2.761 3.943 1.00 0.00 O ATOM 256 C5' DT B 9 15.387 1.891 4.541 1.00 0.00 C ATOM 257 C4' DT B 9 15.318 0.639 3.681 1.00 0.00 C ATOM 258 O4' DT B 9 16.376 -0.203 4.053 1.00 0.00 O ATOM 259 C3' DT B 9 14.016 -0.138 3.876 1.00 0.00 C ATOM 260 O3' DT B 9 13.178 -0.056 2.737 1.00 0.00 O ATOM 261 C2' DT B 9 14.475 -1.577 4.039 1.00 0.00 C ATOM 262 C1' DT B 9 15.977 -1.514 3.765 1.00 0.00 C ATOM 263 N1 DT B 9 16.723 -2.397 4.673 1.00 0.00 N ATOM 264 C2 DT B 9 17.460 -3.442 4.124 1.00 0.00 C ATOM 265 O2 DT B 9 17.504 -3.675 2.920 1.00 0.00 O ATOM 266 N3 DT B 9 18.147 -4.229 5.016 1.00 0.00 N ATOM 267 C4 DT B 9 18.159 -4.072 6.388 1.00 0.00 C ATOM 268 O4 DT B 9 18.838 -4.840 7.057 1.00 0.00 O ATOM 269 C5 DT B 9 17.346 -2.969 6.883 1.00 0.00 C ATOM 270 C7 DT B 9 17.268 -2.643 8.356 1.00 0.00 C ATOM 271 C6 DT B 9 16.670 -2.171 6.026 1.00 0.00 C ATOM 0 H5' DT B 9 14.410 2.370 4.602 1.00 0.00 H new ATOM 0 H5'' DT B 9 15.684 1.642 5.560 1.00 0.00 H new ATOM 0 H4' DT B 9 15.374 0.950 2.638 1.00 0.00 H new ATOM 0 H3' DT B 9 13.442 0.251 4.717 1.00 0.00 H new ATOM 0 H2' DT B 9 14.267 -1.952 5.041 1.00 0.00 H new ATOM 0 H2'' DT B 9 13.968 -2.240 3.338 1.00 0.00 H new ATOM 0 HO5' DT B 9 16.402 3.583 4.473 1.00 0.00 H new ATOM 0 H1' DT B 9 16.172 -1.816 2.736 1.00 0.00 H new ATOM 0 H3 DT B 9 18.697 -4.997 4.631 1.00 0.00 H new ATOM 0 H71 DT B 9 17.096 -1.574 8.483 1.00 0.00 H new ATOM 0 H72 DT B 9 16.447 -3.200 8.809 1.00 0.00 H new ATOM 0 H73 DT B 9 18.205 -2.920 8.840 1.00 0.00 H new ATOM 0 H6 DT B 9 16.084 -1.349 6.409 1.00 0.00 H new ATOM 285 P DC B 10 12.295 1.250 2.444 1.00 0.00 P ATOM 286 OP1 DC B 10 11.506 0.888 1.246 1.00 0.00 O ATOM 287 OP2 DC B 10 13.191 2.419 2.356 1.00 0.00 O ATOM 288 O5' DC B 10 11.365 1.362 3.747 1.00 0.00 O ATOM 289 C5' DC B 10 10.260 0.501 3.988 1.00 0.00 C ATOM 290 C4' DC B 10 9.018 0.892 3.185 1.00 0.00 C ATOM 291 O4' DC B 10 7.879 0.262 3.754 1.00 0.00 O ATOM 292 C3' DC B 10 8.751 2.396 3.161 1.00 0.00 C ATOM 293 O3' DC B 10 8.980 2.879 1.843 1.00 0.00 O ATOM 294 C2' DC B 10 7.286 2.466 3.550 1.00 0.00 C ATOM 295 C1' DC B 10 6.754 1.045 3.421 1.00 0.00 C ATOM 296 N1 DC B 10 5.591 0.766 4.292 1.00 0.00 N ATOM 297 C2 DC B 10 4.390 0.287 3.743 1.00 0.00 C ATOM 298 O2 DC B 10 4.247 0.107 2.532 1.00 0.00 O ATOM 299 N3 DC B 10 3.332 0.023 4.553 1.00 0.00 N ATOM 300 C4 DC B 10 3.451 0.264 5.850 1.00 0.00 C ATOM 301 N4 DC B 10 2.423 -0.053 6.597 1.00 0.00 N ATOM 302 C5 DC B 10 4.631 0.810 6.444 1.00 0.00 C ATOM 303 C6 DC B 10 5.679 1.049 5.624 1.00 0.00 C ATOM 0 H5' DC B 10 10.019 0.515 5.051 1.00 0.00 H new ATOM 0 H5'' DC B 10 10.541 -0.522 3.739 1.00 0.00 H new ATOM 0 H4' DC B 10 9.204 0.570 2.160 1.00 0.00 H new ATOM 0 H3' DC B 10 9.382 2.996 3.817 1.00 0.00 H new ATOM 0 H2' DC B 10 7.169 2.836 4.568 1.00 0.00 H new ATOM 0 H2'' DC B 10 6.741 3.148 2.898 1.00 0.00 H new ATOM 0 H1' DC B 10 6.359 0.838 2.426 1.00 0.00 H new ATOM 0 H41 DC B 10 2.455 0.109 7.604 1.00 0.00 H new ATOM 0 H42 DC B 10 1.591 -0.462 6.172 1.00 0.00 H new ATOM 0 H5 DC B 10 4.683 1.022 7.502 1.00 0.00 H new ATOM 0 H6 DC B 10 6.591 1.466 6.025 1.00 0.00 H new ATOM 315 P DG B 11 9.030 4.451 1.491 1.00 0.00 P ATOM 316 OP1 DG B 11 9.968 4.542 0.343 1.00 0.00 O ATOM 317 OP2 DG B 11 9.304 5.208 2.725 1.00 0.00 O ATOM 318 O5' DG B 11 7.534 4.799 0.993 1.00 0.00 O ATOM 319 C5' DG B 11 7.077 4.342 -0.265 1.00 0.00 C ATOM 320 C4' DG B 11 5.558 4.281 -0.401 1.00 0.00 C ATOM 321 O4' DG B 11 4.978 3.412 0.536 1.00 0.00 O ATOM 322 C3' DG B 11 4.887 5.639 -0.278 1.00 0.00 C ATOM 323 O3' DG B 11 4.850 6.156 -1.593 1.00 0.00 O ATOM 324 C2' DG B 11 3.522 5.250 0.279 1.00 0.00 C ATOM 325 C1' DG B 11 3.612 3.752 0.588 1.00 0.00 C ATOM 326 N9 DG B 11 3.172 3.486 1.960 1.00 0.00 N ATOM 327 C8 DG B 11 3.916 3.723 3.069 1.00 0.00 C ATOM 328 N7 DG B 11 3.309 3.478 4.197 1.00 0.00 N ATOM 329 C5 DG B 11 2.031 3.071 3.788 1.00 0.00 C ATOM 330 C6 DG B 11 0.852 2.706 4.533 1.00 0.00 C ATOM 331 O6 DG B 11 0.659 2.657 5.748 1.00 0.00 O ATOM 332 N1 DG B 11 -0.221 2.381 3.724 1.00 0.00 N ATOM 333 C2 DG B 11 -0.190 2.408 2.368 1.00 0.00 C ATOM 334 N2 DG B 11 -1.311 2.107 1.764 1.00 0.00 N ATOM 335 N3 DG B 11 0.873 2.741 1.634 1.00 0.00 N ATOM 336 C4 DG B 11 1.951 3.065 2.407 1.00 0.00 C ATOM 0 H5' DG B 11 7.486 3.348 -0.447 1.00 0.00 H new ATOM 0 H5'' DG B 11 7.473 4.997 -1.041 1.00 0.00 H new ATOM 0 H4' DG B 11 5.389 3.903 -1.409 1.00 0.00 H new ATOM 0 H3' DG B 11 5.353 6.399 0.349 1.00 0.00 H new ATOM 0 H2' DG B 11 3.288 5.822 1.177 1.00 0.00 H new ATOM 0 H2'' DG B 11 2.732 5.454 -0.443 1.00 0.00 H new ATOM 0 H1' DG B 11 2.996 3.192 -0.116 1.00 0.00 H new ATOM 0 H8 DG B 11 4.932 4.086 3.022 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.092 2.103 4.176 1.00 0.00 H new ATOM 0 H21 DG B 11 -1.358 2.108 0.745 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.138 1.871 2.312 1.00 0.00 H new ATOM 348 P DT B 12 4.468 7.667 -1.989 1.00 0.00 P ATOM 349 OP1 DT B 12 5.704 8.403 -2.389 1.00 0.00 O ATOM 350 OP2 DT B 12 3.533 8.222 -0.992 1.00 0.00 O ATOM 351 O5' DT B 12 3.648 7.352 -3.329 1.00 0.00 O ATOM 352 C5' DT B 12 4.226 6.526 -4.322 1.00 0.00 C ATOM 353 C4' DT B 12 3.350 6.314 -5.552 1.00 0.00 C ATOM 354 O4' DT B 12 2.199 5.590 -5.151 1.00 0.00 O ATOM 355 C3' DT B 12 2.849 7.604 -6.194 1.00 0.00 C ATOM 356 O3' DT B 12 2.617 7.355 -7.565 1.00 0.00 O ATOM 357 C2' DT B 12 1.500 7.790 -5.520 1.00 0.00 C ATOM 358 C1' DT B 12 1.053 6.334 -5.517 1.00 0.00 C ATOM 359 N1 DT B 12 -0.058 6.138 -4.569 1.00 0.00 N ATOM 360 C2 DT B 12 -1.358 6.169 -5.072 1.00 0.00 C ATOM 361 O2 DT B 12 -1.633 6.300 -6.260 1.00 0.00 O ATOM 362 N3 DT B 12 -2.370 6.084 -4.148 1.00 0.00 N ATOM 363 C4 DT B 12 -2.211 5.953 -2.786 1.00 0.00 C ATOM 364 O4 DT B 12 -3.216 5.863 -2.091 1.00 0.00 O ATOM 365 C5 DT B 12 -0.821 5.943 -2.333 1.00 0.00 C ATOM 366 C7 DT B 12 -0.486 5.828 -0.865 1.00 0.00 C ATOM 367 C6 DT B 12 0.197 6.051 -3.222 1.00 0.00 C ATOM 0 H5' DT B 12 4.455 5.555 -3.882 1.00 0.00 H new ATOM 0 H5'' DT B 12 5.173 6.965 -4.636 1.00 0.00 H new ATOM 0 H4' DT B 12 3.969 5.795 -6.284 1.00 0.00 H new ATOM 0 H3' DT B 12 3.529 8.450 -6.094 1.00 0.00 H new ATOM 0 H2' DT B 12 1.581 8.211 -4.518 1.00 0.00 H new ATOM 0 H2'' DT B 12 0.830 8.438 -6.084 1.00 0.00 H new ATOM 0 H1' DT B 12 0.676 6.014 -6.488 1.00 0.00 H new ATOM 0 H3 DT B 12 -3.326 6.121 -4.502 1.00 0.00 H new ATOM 0 H71 DT B 12 0.472 5.322 -0.749 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.426 6.824 -0.426 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.263 5.255 -0.358 1.00 0.00 H new ATOM 0 H6 DT B 12 1.217 6.069 -2.868 1.00 0.00 H new ATOM 380 P DT B 13 3.168 8.333 -8.696 1.00 0.00 P ATOM 381 OP1 DT B 13 3.064 9.716 -8.189 1.00 0.00 O ATOM 382 OP2 DT B 13 2.571 7.948 -9.991 1.00 0.00 O ATOM 383 O5' DT B 13 4.725 7.926 -8.701 1.00 0.00 O ATOM 384 C5' DT B 13 5.127 6.579 -8.868 1.00 0.00 C ATOM 385 C4' DT B 13 6.636 6.376 -9.037 1.00 0.00 C ATOM 386 O4' DT B 13 6.959 6.228 -10.412 1.00 0.00 O ATOM 387 C3' DT B 13 7.532 7.489 -8.472 1.00 0.00 C ATOM 388 O3' DT B 13 8.609 6.975 -7.713 1.00 0.00 O ATOM 389 C2' DT B 13 8.200 8.079 -9.707 1.00 0.00 C ATOM 390 C1' DT B 13 7.480 7.446 -10.895 1.00 0.00 C ATOM 391 N1 DT B 13 6.441 8.262 -11.570 1.00 0.00 N ATOM 392 C2 DT B 13 6.180 7.983 -12.913 1.00 0.00 C ATOM 393 O2 DT B 13 6.715 7.074 -13.541 1.00 0.00 O ATOM 394 N3 DT B 13 5.312 8.835 -13.555 1.00 0.00 N ATOM 395 C4 DT B 13 4.718 9.953 -13.006 1.00 0.00 C ATOM 396 O4 DT B 13 3.994 10.637 -13.721 1.00 0.00 O ATOM 397 C5 DT B 13 5.050 10.195 -11.608 1.00 0.00 C ATOM 398 C7 DT B 13 4.474 11.384 -10.859 1.00 0.00 C ATOM 399 C6 DT B 13 5.882 9.348 -10.949 1.00 0.00 C ATOM 0 H5' DT B 13 4.619 6.168 -9.741 1.00 0.00 H new ATOM 0 H5'' DT B 13 4.792 6.005 -8.004 1.00 0.00 H new ATOM 0 H4' DT B 13 6.844 5.479 -8.453 1.00 0.00 H new ATOM 0 H3' DT B 13 6.938 8.163 -7.854 1.00 0.00 H new ATOM 0 H2' DT B 13 8.107 9.165 -9.724 1.00 0.00 H new ATOM 0 H2'' DT B 13 9.266 7.850 -9.725 1.00 0.00 H new ATOM 0 H1' DT B 13 8.204 7.324 -11.701 1.00 0.00 H new ATOM 0 H3 DT B 13 5.087 8.621 -14.526 1.00 0.00 H new ATOM 0 H71 DT B 13 4.297 12.203 -11.557 1.00 0.00 H new ATOM 0 H72 DT B 13 3.533 11.097 -10.390 1.00 0.00 H new ATOM 0 H73 DT B 13 5.178 11.707 -10.092 1.00 0.00 H new ATOM 0 H6 DT B 13 6.109 9.535 -9.910 1.00 0.00 H new ATOM 412 P DG B 14 8.684 7.028 -6.119 1.00 0.00 P ATOM 413 OP1 DG B 14 7.512 7.775 -5.596 1.00 0.00 O ATOM 414 OP2 DG B 14 10.036 7.476 -5.737 1.00 0.00 O ATOM 415 O5' DG B 14 8.545 5.475 -5.736 1.00 0.00 O ATOM 416 C5' DG B 14 7.298 4.841 -5.556 1.00 0.00 C ATOM 417 C4' DG B 14 7.444 3.965 -4.319 1.00 0.00 C ATOM 418 O4' DG B 14 6.234 3.842 -3.615 1.00 0.00 O ATOM 419 C3' DG B 14 8.104 2.605 -4.474 1.00 0.00 C ATOM 420 O3' DG B 14 8.933 2.401 -3.329 1.00 0.00 O ATOM 421 C2' DG B 14 6.865 1.738 -4.476 1.00 0.00 C ATOM 422 C1' DG B 14 5.778 2.521 -3.721 1.00 0.00 C ATOM 423 N9 DG B 14 4.525 2.606 -4.476 1.00 0.00 N ATOM 424 C8 DG B 14 4.439 2.920 -5.792 1.00 0.00 C ATOM 425 N7 DG B 14 3.233 2.896 -6.279 1.00 0.00 N ATOM 426 C5 DG B 14 2.439 2.658 -5.145 1.00 0.00 C ATOM 427 C6 DG B 14 1.011 2.651 -4.965 1.00 0.00 C ATOM 428 O6 DG B 14 0.103 2.793 -5.782 1.00 0.00 O ATOM 429 N1 DG B 14 0.631 2.498 -3.646 1.00 0.00 N ATOM 430 C2 DG B 14 1.494 2.384 -2.602 1.00 0.00 C ATOM 431 N2 DG B 14 0.928 2.306 -1.418 1.00 0.00 N ATOM 432 N3 DG B 14 2.823 2.371 -2.722 1.00 0.00 N ATOM 433 C4 DG B 14 3.233 2.522 -4.020 1.00 0.00 C ATOM 0 H5' DG B 14 7.036 4.243 -6.428 1.00 0.00 H new ATOM 0 H5'' DG B 14 6.503 5.575 -5.422 1.00 0.00 H new ATOM 0 H4' DG B 14 8.173 4.533 -3.742 1.00 0.00 H new ATOM 0 H3' DG B 14 8.748 2.434 -5.337 1.00 0.00 H new ATOM 0 H2' DG B 14 6.547 1.519 -5.495 1.00 0.00 H new ATOM 0 H2'' DG B 14 7.061 0.782 -3.991 1.00 0.00 H new ATOM 0 H1' DG B 14 5.597 2.019 -2.770 1.00 0.00 H new ATOM 0 H8 DG B 14 5.304 3.170 -6.389 1.00 0.00 H new ATOM 0 H1 DG B 14 -0.368 2.468 -3.441 1.00 0.00 H new ATOM 0 H21 DG B 14 1.505 2.218 -0.582 1.00 0.00 H new ATOM 0 H22 DG B 14 -0.088 2.333 -1.336 1.00 0.00 H new ATOM 445 P DC B 15 9.681 1.008 -2.972 1.00 0.00 P ATOM 446 OP1 DC B 15 10.768 1.332 -2.013 1.00 0.00 O ATOM 447 OP2 DC B 15 9.969 0.289 -4.227 1.00 0.00 O ATOM 448 O5' DC B 15 8.546 0.192 -2.162 1.00 0.00 O ATOM 449 C5' DC B 15 8.044 0.715 -0.952 1.00 0.00 C ATOM 450 C4' DC B 15 6.752 0.086 -0.430 1.00 0.00 C ATOM 451 O4' DC B 15 5.587 0.532 -1.070 1.00 0.00 O ATOM 452 C3' DC B 15 6.743 -1.435 -0.427 1.00 0.00 C ATOM 453 O3' DC B 15 7.472 -1.915 0.689 1.00 0.00 O ATOM 454 C2' DC B 15 5.249 -1.719 -0.341 1.00 0.00 C ATOM 455 C1' DC B 15 4.579 -0.444 -0.864 1.00 0.00 C ATOM 456 N1 DC B 15 3.968 -0.692 -2.185 1.00 0.00 N ATOM 457 C2 DC B 15 2.590 -0.845 -2.308 1.00 0.00 C ATOM 458 O2 DC B 15 1.872 -0.898 -1.310 1.00 0.00 O ATOM 459 N3 DC B 15 2.019 -0.916 -3.540 1.00 0.00 N ATOM 460 C4 DC B 15 2.810 -0.896 -4.606 1.00 0.00 C ATOM 461 N4 DC B 15 2.222 -0.947 -5.778 1.00 0.00 N ATOM 462 C5 DC B 15 4.237 -0.801 -4.526 1.00 0.00 C ATOM 463 C6 DC B 15 4.772 -0.711 -3.284 1.00 0.00 C ATOM 0 H5' DC B 15 7.876 1.784 -1.084 1.00 0.00 H new ATOM 0 H5'' DC B 15 8.812 0.606 -0.186 1.00 0.00 H new ATOM 0 H4' DC B 15 6.741 0.437 0.602 1.00 0.00 H new ATOM 0 H3' DC B 15 7.212 -1.918 -1.284 1.00 0.00 H new ATOM 0 H2' DC B 15 4.975 -2.585 -0.943 1.00 0.00 H new ATOM 0 H2'' DC B 15 4.945 -1.934 0.683 1.00 0.00 H new ATOM 0 H1' DC B 15 3.824 -0.123 -0.146 1.00 0.00 H new ATOM 0 H41 DC B 15 2.782 -0.935 -6.630 1.00 0.00 H new ATOM 0 H42 DC B 15 1.205 -0.999 -5.836 1.00 0.00 H new ATOM 0 H5 DC B 15 4.856 -0.801 -5.411 1.00 0.00 H new ATOM 0 H6 DC B 15 5.844 -0.654 -3.165 1.00 0.00 H new ATOM 475 P DT B 16 7.573 -3.483 1.064 1.00 0.00 P ATOM 476 OP1 DT B 16 8.960 -3.731 1.517 1.00 0.00 O ATOM 477 OP2 DT B 16 6.992 -4.280 -0.037 1.00 0.00 O ATOM 478 O5' DT B 16 6.595 -3.595 2.347 1.00 0.00 O ATOM 479 C5' DT B 16 6.836 -2.780 3.479 1.00 0.00 C ATOM 480 C4' DT B 16 6.027 -3.142 4.729 1.00 0.00 C ATOM 481 O4' DT B 16 4.700 -2.682 4.618 1.00 0.00 O ATOM 482 C3' DT B 16 5.893 -4.637 5.036 1.00 0.00 C ATOM 483 O3' DT B 16 6.954 -5.223 5.771 1.00 0.00 O ATOM 484 C2' DT B 16 4.695 -4.630 5.967 1.00 0.00 C ATOM 485 C1' DT B 16 3.892 -3.406 5.529 1.00 0.00 C ATOM 486 N1 DT B 16 2.632 -3.830 4.882 1.00 0.00 N ATOM 487 C2 DT B 16 1.559 -4.160 5.713 1.00 0.00 C ATOM 488 O2 DT B 16 1.608 -4.102 6.938 1.00 0.00 O ATOM 489 N3 DT B 16 0.410 -4.582 5.083 1.00 0.00 N ATOM 490 C4 DT B 16 0.234 -4.695 3.719 1.00 0.00 C ATOM 491 O4 DT B 16 -0.857 -5.071 3.299 1.00 0.00 O ATOM 492 C5 DT B 16 1.403 -4.346 2.924 1.00 0.00 C ATOM 493 C7 DT B 16 1.390 -4.413 1.415 1.00 0.00 C ATOM 494 C6 DT B 16 2.552 -3.939 3.516 1.00 0.00 C ATOM 0 H5' DT B 16 6.621 -1.745 3.214 1.00 0.00 H new ATOM 0 H5'' DT B 16 7.897 -2.832 3.725 1.00 0.00 H new ATOM 0 H4' DT B 16 6.602 -2.668 5.525 1.00 0.00 H new ATOM 0 H3' DT B 16 5.847 -5.203 4.106 1.00 0.00 H new ATOM 0 H2' DT B 16 4.111 -5.545 5.872 1.00 0.00 H new ATOM 0 H2'' DT B 16 5.001 -4.554 7.010 1.00 0.00 H new ATOM 0 HO3' DT B 16 6.767 -6.175 5.913 1.00 0.00 H new ATOM 0 H1' DT B 16 3.629 -2.784 6.385 1.00 0.00 H new ATOM 0 H3 DT B 16 -0.381 -4.833 5.677 1.00 0.00 H new ATOM 0 H71 DT B 16 0.700 -5.193 1.091 1.00 0.00 H new ATOM 0 H72 DT B 16 1.068 -3.453 1.011 1.00 0.00 H new ATOM 0 H73 DT B 16 2.392 -4.642 1.052 1.00 0.00 H new ATOM 0 H6 DT B 16 3.412 -3.698 2.908 1.00 0.00 H new TER 508 DT B 16