USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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 Single : A 1 G O2' : rot 180:sc= -0.254 USER MOD Single : A 1 G O5' : rot 180:sc= -0.005 USER MOD Single : A 2 G O2' : rot -17:sc= 0.0454 USER MOD Single : A 3 A O2' : rot -29:sc= 0.142 USER MOD Single : A 4 U O2' : rot 180:sc= -0.283 USER MOD Single : A 5 G O2' : rot -8:sc= 0.112 USER MOD Single : A 6 U O2' : rot -15:sc= -0.416 USER MOD Single : A 7 C O2' : rot 180:sc= -0.302 USER MOD Single : A 8 C O2' : rot -35:sc= 0.121 USER MOD Single : A 8 C O3' : rot 180:sc= 0.137 USER MOD Single : B 9 G O2' : rot 180:sc= -0.257 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 G O2' : rot 180:sc= -0.376 USER MOD Single : B 11 A O2' : rot -24:sc= 0.152 USER MOD Single : B 12 U O2' : rot 180:sc= -0.266 USER MOD Single : B 13 G O2' : rot -8:sc= 0.122 USER MOD Single : B 14 U O2' : rot -15:sc= -0.437 USER MOD Single : B 15 C O2' : rot -11:sc= -0.169 USER MOD Single : B 16 C O2' : rot -27:sc= 0.147 USER MOD Single : B 16 C O3' : rot 180:sc= 0.176 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.243 -7.991 5.794 1.00 0.00 O ATOM 2 C5' G A 1 6.587 -8.416 5.858 1.00 0.00 C ATOM 3 C4' G A 1 7.510 -7.312 5.337 1.00 0.00 C ATOM 4 O4' G A 1 7.237 -7.008 3.970 1.00 0.00 O ATOM 5 C3' G A 1 7.332 -6.003 6.078 1.00 0.00 C ATOM 6 O3' G A 1 7.952 -6.009 7.352 1.00 0.00 O ATOM 7 C2' G A 1 8.013 -5.070 5.107 1.00 0.00 C ATOM 8 O2' G A 1 9.413 -5.237 5.182 1.00 0.00 O ATOM 9 C1' G A 1 7.523 -5.615 3.765 1.00 0.00 C ATOM 10 N9 G A 1 6.288 -4.904 3.371 1.00 0.00 N ATOM 11 C8 G A 1 4.987 -5.337 3.422 1.00 0.00 C ATOM 12 N7 G A 1 4.118 -4.455 3.014 1.00 0.00 N ATOM 13 C5 G A 1 4.895 -3.355 2.666 1.00 0.00 C ATOM 14 C6 G A 1 4.504 -2.082 2.156 1.00 0.00 C ATOM 15 O6 G A 1 3.370 -1.675 1.911 1.00 0.00 O ATOM 16 N1 G A 1 5.602 -1.258 1.935 1.00 0.00 N ATOM 17 C2 G A 1 6.913 -1.608 2.176 1.00 0.00 C ATOM 18 N2 G A 1 7.842 -0.683 1.910 1.00 0.00 N ATOM 19 N3 G A 1 7.285 -2.800 2.657 1.00 0.00 N ATOM 20 C4 G A 1 6.226 -3.621 2.878 1.00 0.00 C ATOM 0 H5' G A 1 6.719 -9.322 5.266 1.00 0.00 H new ATOM 0 H5'' G A 1 6.850 -8.666 6.886 1.00 0.00 H new ATOM 0 H4' G A 1 8.517 -7.705 5.479 1.00 0.00 H new ATOM 0 H3' G A 1 6.300 -5.746 6.317 1.00 0.00 H new ATOM 0 H2' G A 1 7.801 -4.015 5.282 1.00 0.00 H new ATOM 0 HO2' G A 1 9.849 -4.630 4.549 1.00 0.00 H new ATOM 0 HO5' G A 1 4.658 -8.703 6.127 1.00 0.00 H new ATOM 0 H1' G A 1 8.266 -5.477 2.980 1.00 0.00 H new ATOM 0 H8 G A 1 4.708 -6.321 3.769 1.00 0.00 H new ATOM 0 H1 G A 1 5.424 -0.324 1.567 1.00 0.00 H new ATOM 0 H21 G A 1 8.828 -0.890 2.070 1.00 0.00 H new ATOM 0 H22 G A 1 7.564 0.229 1.547 1.00 0.00 H new ATOM 33 P G A 2 7.633 -4.850 8.436 1.00 0.00 P ATOM 34 OP1 G A 2 8.404 -5.147 9.664 1.00 0.00 O ATOM 35 OP2 G A 2 6.164 -4.694 8.513 1.00 0.00 O ATOM 36 O5' G A 2 8.243 -3.514 7.773 1.00 0.00 O ATOM 37 C5' G A 2 9.638 -3.302 7.720 1.00 0.00 C ATOM 38 C4' G A 2 9.930 -1.974 7.017 1.00 0.00 C ATOM 39 O4' G A 2 9.384 -1.957 5.695 1.00 0.00 O ATOM 40 C3' G A 2 9.305 -0.781 7.715 1.00 0.00 C ATOM 41 O3' G A 2 10.022 -0.374 8.868 1.00 0.00 O ATOM 42 C2' G A 2 9.407 0.230 6.601 1.00 0.00 C ATOM 43 O2' G A 2 10.756 0.610 6.424 1.00 0.00 O ATOM 44 C1' G A 2 8.978 -0.608 5.403 1.00 0.00 C ATOM 45 N9 G A 2 7.504 -0.543 5.265 1.00 0.00 N ATOM 46 C8 G A 2 6.562 -1.479 5.609 1.00 0.00 C ATOM 47 N7 G A 2 5.336 -1.115 5.362 1.00 0.00 N ATOM 48 C5 G A 2 5.467 0.159 4.821 1.00 0.00 C ATOM 49 C6 G A 2 4.466 1.065 4.366 1.00 0.00 C ATOM 50 O6 G A 2 3.249 0.903 4.340 1.00 0.00 O ATOM 51 N1 G A 2 5.021 2.256 3.914 1.00 0.00 N ATOM 52 C2 G A 2 6.369 2.542 3.892 1.00 0.00 C ATOM 53 N2 G A 2 6.720 3.746 3.426 1.00 0.00 N ATOM 54 N3 G A 2 7.313 1.691 4.311 1.00 0.00 N ATOM 55 C4 G A 2 6.791 0.522 4.764 1.00 0.00 C ATOM 0 H5' G A 2 10.120 -4.121 7.186 1.00 0.00 H new ATOM 0 H5'' G A 2 10.053 -3.290 8.728 1.00 0.00 H new ATOM 0 H4' G A 2 11.017 -1.898 7.022 1.00 0.00 H new ATOM 0 H3' G A 2 8.303 -0.955 8.107 1.00 0.00 H new ATOM 0 H2' G A 2 8.828 1.139 6.766 1.00 0.00 H new ATOM 0 HO2' G A 2 11.275 0.352 7.214 1.00 0.00 H new ATOM 0 H1' G A 2 9.424 -0.252 4.475 1.00 0.00 H new ATOM 0 H8 G A 2 6.815 -2.434 6.046 1.00 0.00 H new ATOM 0 H1 G A 2 4.382 2.974 3.572 1.00 0.00 H new ATOM 0 H21 G A 2 7.704 4.011 3.387 1.00 0.00 H new ATOM 0 H22 G A 2 6.003 4.399 3.110 1.00 0.00 H new ATOM 67 P A A 3 9.328 0.573 9.991 1.00 0.00 P ATOM 68 OP1 A A 3 10.330 0.839 11.046 1.00 0.00 O ATOM 69 OP2 A A 3 8.028 -0.034 10.353 1.00 0.00 O ATOM 70 O5' A A 3 9.031 1.962 9.221 1.00 0.00 O ATOM 71 C5' A A 3 10.079 2.851 8.898 1.00 0.00 C ATOM 72 C4' A A 3 9.522 4.066 8.151 1.00 0.00 C ATOM 73 O4' A A 3 8.797 3.668 6.985 1.00 0.00 O ATOM 74 C3' A A 3 8.541 4.886 8.963 1.00 0.00 C ATOM 75 O3' A A 3 9.189 5.746 9.879 1.00 0.00 O ATOM 76 C2' A A 3 7.846 5.660 7.878 1.00 0.00 C ATOM 77 O2' A A 3 8.681 6.705 7.424 1.00 0.00 O ATOM 78 C1' A A 3 7.723 4.605 6.784 1.00 0.00 C ATOM 79 N9 A A 3 6.418 3.913 6.902 1.00 0.00 N ATOM 80 C8 A A 3 6.151 2.621 7.284 1.00 0.00 C ATOM 81 N7 A A 3 4.887 2.304 7.233 1.00 0.00 N ATOM 82 C5 A A 3 4.268 3.471 6.802 1.00 0.00 C ATOM 83 C6 A A 3 2.923 3.799 6.550 1.00 0.00 C ATOM 84 N6 A A 3 1.916 2.928 6.690 1.00 0.00 N ATOM 85 N1 A A 3 2.651 5.058 6.160 1.00 0.00 N ATOM 86 C2 A A 3 3.653 5.922 6.020 1.00 0.00 C ATOM 87 N3 A A 3 4.952 5.733 6.211 1.00 0.00 N ATOM 88 C4 A A 3 5.192 4.461 6.610 1.00 0.00 C ATOM 0 H5' A A 3 10.821 2.343 8.282 1.00 0.00 H new ATOM 0 H5'' A A 3 10.587 3.174 9.807 1.00 0.00 H new ATOM 0 H4' A A 3 10.406 4.659 7.918 1.00 0.00 H new ATOM 0 H3' A A 3 7.880 4.288 9.590 1.00 0.00 H new ATOM 0 H2' A A 3 6.903 6.113 8.185 1.00 0.00 H new ATOM 0 HO2' A A 3 9.267 6.996 8.154 1.00 0.00 H new ATOM 0 H1' A A 3 7.780 5.056 5.793 1.00 0.00 H new ATOM 0 H8 A A 3 6.919 1.930 7.598 1.00 0.00 H new ATOM 0 H61 A A 3 0.959 3.220 6.494 1.00 0.00 H new ATOM 0 H62 A A 3 2.106 1.973 6.993 1.00 0.00 H new ATOM 0 H2 A A 3 3.369 6.916 5.707 1.00 0.00 H new ATOM 100 P U A 4 8.807 5.722 11.437 1.00 0.00 P ATOM 101 OP1 U A 4 9.767 6.575 12.172 1.00 0.00 O ATOM 102 OP2 U A 4 8.593 4.318 11.849 1.00 0.00 O ATOM 103 O5' U A 4 7.385 6.471 11.399 1.00 0.00 O ATOM 104 C5' U A 4 7.314 7.850 11.093 1.00 0.00 C ATOM 105 C4' U A 4 5.863 8.256 10.836 1.00 0.00 C ATOM 106 O4' U A 4 5.338 7.574 9.699 1.00 0.00 O ATOM 107 C3' U A 4 4.938 7.900 11.979 1.00 0.00 C ATOM 108 O3' U A 4 5.042 8.815 13.055 1.00 0.00 O ATOM 109 C2' U A 4 3.605 7.988 11.276 1.00 0.00 C ATOM 110 O2' U A 4 3.242 9.342 11.114 1.00 0.00 O ATOM 111 C1' U A 4 3.928 7.405 9.898 1.00 0.00 C ATOM 112 N1 U A 4 3.568 5.967 9.853 1.00 0.00 N ATOM 113 C2 U A 4 2.234 5.661 9.641 1.00 0.00 C ATOM 114 O2 U A 4 1.384 6.536 9.492 1.00 0.00 O ATOM 115 N3 U A 4 1.908 4.314 9.603 1.00 0.00 N ATOM 116 C4 U A 4 2.795 3.260 9.767 1.00 0.00 C ATOM 117 O4 U A 4 2.398 2.099 9.728 1.00 0.00 O ATOM 118 C5 U A 4 4.170 3.671 9.968 1.00 0.00 C ATOM 119 C6 U A 4 4.510 4.980 10.002 1.00 0.00 C ATOM 0 H5' U A 4 7.922 8.067 10.215 1.00 0.00 H new ATOM 0 H5'' U A 4 7.723 8.435 11.917 1.00 0.00 H new ATOM 0 H4' U A 4 5.896 9.337 10.697 1.00 0.00 H new ATOM 0 H3' U A 4 5.141 6.939 12.451 1.00 0.00 H new ATOM 0 H2' U A 4 2.797 7.485 11.807 1.00 0.00 H new ATOM 0 HO2' U A 4 2.377 9.396 10.657 1.00 0.00 H new ATOM 0 H1' U A 4 3.361 7.909 9.115 1.00 0.00 H new ATOM 0 H3 U A 4 0.929 4.077 9.440 1.00 0.00 H new ATOM 0 H5 U A 4 4.936 2.920 10.093 1.00 0.00 H new ATOM 0 H6 U A 4 5.544 5.254 10.149 1.00 0.00 H new ATOM 130 P G A 5 4.281 8.540 14.450 1.00 0.00 P ATOM 131 OP1 G A 5 4.683 9.591 15.410 1.00 0.00 O ATOM 132 OP2 G A 5 4.470 7.115 14.801 1.00 0.00 O ATOM 133 O5' G A 5 2.729 8.764 14.084 1.00 0.00 O ATOM 134 C5' G A 5 2.205 10.065 13.902 1.00 0.00 C ATOM 135 C4' G A 5 0.717 9.964 13.557 1.00 0.00 C ATOM 136 O4' G A 5 0.511 9.206 12.371 1.00 0.00 O ATOM 137 C3' G A 5 -0.059 9.226 14.628 1.00 0.00 C ATOM 138 O3' G A 5 -0.343 10.046 15.750 1.00 0.00 O ATOM 139 C2' G A 5 -1.307 8.862 13.864 1.00 0.00 C ATOM 140 O2' G A 5 -2.208 9.950 13.868 1.00 0.00 O ATOM 141 C1' G A 5 -0.803 8.639 12.444 1.00 0.00 C ATOM 142 N9 G A 5 -0.768 7.192 12.166 1.00 0.00 N ATOM 143 C8 G A 5 0.284 6.325 12.255 1.00 0.00 C ATOM 144 N7 G A 5 -0.019 5.088 11.968 1.00 0.00 N ATOM 145 C5 G A 5 -1.379 5.138 11.674 1.00 0.00 C ATOM 146 C6 G A 5 -2.282 4.097 11.299 1.00 0.00 C ATOM 147 O6 G A 5 -2.051 2.901 11.128 1.00 0.00 O ATOM 148 N1 G A 5 -3.568 4.580 11.123 1.00 0.00 N ATOM 149 C2 G A 5 -3.953 5.892 11.272 1.00 0.00 C ATOM 150 N2 G A 5 -5.244 6.164 11.052 1.00 0.00 N ATOM 151 N3 G A 5 -3.114 6.873 11.615 1.00 0.00 N ATOM 152 C4 G A 5 -1.846 6.425 11.801 1.00 0.00 C ATOM 0 H5' G A 5 2.742 10.578 13.104 1.00 0.00 H new ATOM 0 H5'' G A 5 2.341 10.655 14.808 1.00 0.00 H new ATOM 0 H4' G A 5 0.377 10.994 13.450 1.00 0.00 H new ATOM 0 H3' G A 5 0.471 8.379 15.063 1.00 0.00 H new ATOM 0 H2' G A 5 -1.825 8.001 14.285 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.875 10.648 14.470 1.00 0.00 H new ATOM 0 H1' G A 5 -1.453 9.108 11.705 1.00 0.00 H new ATOM 0 H8 G A 5 1.279 6.636 12.538 1.00 0.00 H new ATOM 0 H1 G A 5 -4.289 3.907 10.861 1.00 0.00 H new ATOM 0 H21 G A 5 -5.587 7.120 11.148 1.00 0.00 H new ATOM 0 H22 G A 5 -5.885 5.416 10.789 1.00 0.00 H new ATOM 164 P U A 6 -0.861 9.401 17.143 1.00 0.00 P ATOM 165 OP1 U A 6 -0.995 10.495 18.131 1.00 0.00 O ATOM 166 OP2 U A 6 0.004 8.241 17.450 1.00 0.00 O ATOM 167 O5' U A 6 -2.342 8.842 16.815 1.00 0.00 O ATOM 168 C5' U A 6 -3.468 9.700 16.807 1.00 0.00 C ATOM 169 C4' U A 6 -4.749 8.881 16.572 1.00 0.00 C ATOM 170 O4' U A 6 -4.755 8.257 15.281 1.00 0.00 O ATOM 171 C3' U A 6 -4.907 7.739 17.564 1.00 0.00 C ATOM 172 O3' U A 6 -5.401 8.149 18.823 1.00 0.00 O ATOM 173 C2' U A 6 -5.917 6.895 16.833 1.00 0.00 C ATOM 174 O2' U A 6 -7.195 7.493 16.914 1.00 0.00 O ATOM 175 C1' U A 6 -5.433 6.988 15.399 1.00 0.00 C ATOM 176 N1 U A 6 -4.496 5.879 15.087 1.00 0.00 N ATOM 177 C2 U A 6 -5.030 4.717 14.545 1.00 0.00 C ATOM 178 O2 U A 6 -6.238 4.567 14.375 1.00 0.00 O ATOM 179 N3 U A 6 -4.123 3.729 14.205 1.00 0.00 N ATOM 180 C4 U A 6 -2.748 3.798 14.354 1.00 0.00 C ATOM 181 O4 U A 6 -2.038 2.848 14.036 1.00 0.00 O ATOM 182 C5 U A 6 -2.278 5.049 14.903 1.00 0.00 C ATOM 183 C6 U A 6 -3.147 6.024 15.252 1.00 0.00 C ATOM 0 H5' U A 6 -3.358 10.451 16.025 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.536 10.234 17.755 1.00 0.00 H new ATOM 0 H4' U A 6 -5.554 9.608 16.678 1.00 0.00 H new ATOM 0 H3' U A 6 -3.968 7.247 17.817 1.00 0.00 H new ATOM 0 H2' U A 6 -6.000 5.881 17.224 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.192 8.177 17.615 1.00 0.00 H new ATOM 0 H1' U A 6 -6.267 6.912 14.701 1.00 0.00 H new ATOM 0 H3 U A 6 -4.503 2.870 13.808 1.00 0.00 H new ATOM 0 H5 U A 6 -1.218 5.207 15.036 1.00 0.00 H new ATOM 0 H6 U A 6 -2.765 6.942 15.673 1.00 0.00 H new ATOM 194 P C A 7 -5.346 7.144 20.091 1.00 0.00 P ATOM 195 OP1 C A 7 -6.045 7.794 21.222 1.00 0.00 O ATOM 196 OP2 C A 7 -3.944 6.702 20.255 1.00 0.00 O ATOM 197 O5' C A 7 -6.220 5.861 19.629 1.00 0.00 O ATOM 198 C5' C A 7 -7.634 5.900 19.630 1.00 0.00 C ATOM 199 C4' C A 7 -8.198 4.538 19.201 1.00 0.00 C ATOM 200 O4' C A 7 -7.786 4.169 17.879 1.00 0.00 O ATOM 201 C3' C A 7 -7.710 3.409 20.082 1.00 0.00 C ATOM 202 O3' C A 7 -8.362 3.381 21.338 1.00 0.00 O ATOM 203 C2' C A 7 -8.082 2.225 19.220 1.00 0.00 C ATOM 204 O2' C A 7 -9.472 1.995 19.304 1.00 0.00 O ATOM 205 C1' C A 7 -7.757 2.727 17.812 1.00 0.00 C ATOM 206 N1 C A 7 -6.417 2.233 17.392 1.00 0.00 N ATOM 207 C2 C A 7 -6.318 0.893 17.025 1.00 0.00 C ATOM 208 O2 C A 7 -7.313 0.171 17.040 1.00 0.00 O ATOM 209 N3 C A 7 -5.099 0.412 16.653 1.00 0.00 N ATOM 210 C4 C A 7 -4.020 1.205 16.647 1.00 0.00 C ATOM 211 N4 C A 7 -2.843 0.695 16.272 1.00 0.00 N ATOM 212 C5 C A 7 -4.105 2.584 17.020 1.00 0.00 C ATOM 213 C6 C A 7 -5.320 3.052 17.376 1.00 0.00 C ATOM 0 H5' C A 7 -7.985 6.678 18.952 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.998 6.156 20.625 1.00 0.00 H new ATOM 0 H4' C A 7 -9.278 4.667 19.268 1.00 0.00 H new ATOM 0 H3' C A 7 -6.656 3.467 20.354 1.00 0.00 H new ATOM 0 H2' C A 7 -7.571 1.304 19.502 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.711 1.228 18.743 1.00 0.00 H new ATOM 0 H1' C A 7 -8.474 2.363 17.076 1.00 0.00 H new ATOM 0 H41 C A 7 -2.011 1.285 16.262 1.00 0.00 H new ATOM 0 H42 C A 7 -2.776 -0.285 15.996 1.00 0.00 H new ATOM 0 H5 C A 7 -3.234 3.223 17.017 1.00 0.00 H new ATOM 0 H6 C A 7 -5.429 4.090 17.653 1.00 0.00 H new ATOM 225 P C A 8 -7.798 2.462 22.540 1.00 0.00 P ATOM 226 OP1 C A 8 -8.688 2.635 23.710 1.00 0.00 O ATOM 227 OP2 C A 8 -6.350 2.730 22.676 1.00 0.00 O ATOM 228 O5' C A 8 -7.974 0.956 21.998 1.00 0.00 O ATOM 229 C5' C A 8 -9.236 0.321 21.998 1.00 0.00 C ATOM 230 C4' C A 8 -9.077 -1.116 21.496 1.00 0.00 C ATOM 231 O4' C A 8 -8.597 -1.156 20.159 1.00 0.00 O ATOM 232 C3' C A 8 -8.040 -1.881 22.287 1.00 0.00 C ATOM 233 O3' C A 8 -8.512 -2.297 23.550 1.00 0.00 O ATOM 234 C2' C A 8 -7.767 -3.037 21.373 1.00 0.00 C ATOM 235 O2' C A 8 -8.791 -4.005 21.489 1.00 0.00 O ATOM 236 C1' C A 8 -7.843 -2.371 20.004 1.00 0.00 C ATOM 237 N1 C A 8 -6.464 -2.076 19.549 1.00 0.00 N ATOM 238 C2 C A 8 -5.766 -3.096 18.909 1.00 0.00 C ATOM 239 O2 C A 8 -6.316 -4.168 18.665 1.00 0.00 O ATOM 240 N3 C A 8 -4.465 -2.873 18.570 1.00 0.00 N ATOM 241 C4 C A 8 -3.871 -1.707 18.857 1.00 0.00 C ATOM 242 N4 C A 8 -2.594 -1.528 18.505 1.00 0.00 N ATOM 243 C5 C A 8 -4.574 -0.661 19.537 1.00 0.00 C ATOM 244 C6 C A 8 -5.861 -0.891 19.856 1.00 0.00 C ATOM 0 H5' C A 8 -9.931 0.867 21.360 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.657 0.323 23.003 1.00 0.00 H new ATOM 0 H4' C A 8 -10.071 -1.553 21.593 1.00 0.00 H new ATOM 0 H3' C A 8 -7.158 -1.292 22.537 1.00 0.00 H new ATOM 0 H2' C A 8 -6.828 -3.551 21.576 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.103 -4.041 22.417 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.804 -2.787 24.018 1.00 0.00 H new ATOM 0 H1' C A 8 -8.325 -3.012 19.266 1.00 0.00 H new ATOM 0 H41 C A 8 -2.126 -0.647 18.715 1.00 0.00 H new ATOM 0 H42 C A 8 -2.088 -2.273 18.026 1.00 0.00 H new ATOM 0 H5 C A 8 -4.092 0.273 19.783 1.00 0.00 H new ATOM 0 H6 C A 8 -6.427 -0.124 20.364 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.374 -9.482 13.906 1.00 0.00 O ATOM 259 C5' G B 9 1.775 -10.756 13.815 1.00 0.00 C ATOM 260 C4' G B 9 0.323 -10.687 14.295 1.00 0.00 C ATOM 261 O4' G B 9 0.245 -10.291 15.663 1.00 0.00 O ATOM 262 C3' G B 9 -0.494 -9.660 13.538 1.00 0.00 C ATOM 263 O3' G B 9 -0.874 -10.108 12.249 1.00 0.00 O ATOM 264 C2' G B 9 -1.669 -9.533 14.476 1.00 0.00 C ATOM 265 O2' G B 9 -2.495 -10.673 14.367 1.00 0.00 O ATOM 266 C1' G B 9 -0.976 -9.555 15.838 1.00 0.00 C ATOM 267 N9 G B 9 -0.670 -8.169 16.252 1.00 0.00 N ATOM 268 C8 G B 9 0.533 -7.509 16.238 1.00 0.00 C ATOM 269 N7 G B 9 0.465 -6.275 16.654 1.00 0.00 N ATOM 270 C5 G B 9 -0.879 -6.100 16.966 1.00 0.00 C ATOM 271 C6 G B 9 -1.561 -4.951 17.465 1.00 0.00 C ATOM 272 O6 G B 9 -1.096 -3.844 17.730 1.00 0.00 O ATOM 273 N1 G B 9 -2.917 -5.198 17.647 1.00 0.00 N ATOM 274 C2 G B 9 -3.544 -6.397 17.381 1.00 0.00 C ATOM 275 N2 G B 9 -4.861 -6.451 17.611 1.00 0.00 N ATOM 276 N3 G B 9 -2.909 -7.476 16.910 1.00 0.00 N ATOM 277 C4 G B 9 -1.582 -7.256 16.727 1.00 0.00 C ATOM 0 H5' G B 9 2.332 -11.473 14.418 1.00 0.00 H new ATOM 0 H5'' G B 9 1.810 -11.111 12.785 1.00 0.00 H new ATOM 0 H4' G B 9 -0.068 -11.692 14.134 1.00 0.00 H new ATOM 0 H3' G B 9 0.027 -8.727 13.321 1.00 0.00 H new ATOM 0 H2' G B 9 -2.293 -8.659 14.290 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.255 -10.586 14.979 1.00 0.00 H new ATOM 0 HO5' G B 9 3.303 -9.535 13.599 1.00 0.00 H new ATOM 0 H1' G B 9 -1.605 -10.013 16.602 1.00 0.00 H new ATOM 0 H8 G B 9 1.453 -7.970 15.912 1.00 0.00 H new ATOM 0 H1 G B 9 -3.491 -4.435 18.004 1.00 0.00 H new ATOM 0 H21 G B 9 -5.375 -7.313 17.431 1.00 0.00 H new ATOM 0 H22 G B 9 -5.351 -5.630 17.966 1.00 0.00 H new ATOM 290 P G B 10 -1.470 -9.076 11.154 1.00 0.00 P ATOM 291 OP1 G B 10 -1.744 -9.832 9.912 1.00 0.00 O ATOM 292 OP2 G B 10 -0.579 -7.895 11.111 1.00 0.00 O ATOM 293 O5' G B 10 -2.882 -8.613 11.778 1.00 0.00 O ATOM 294 C5' G B 10 -3.990 -9.486 11.791 1.00 0.00 C ATOM 295 C4' G B 10 -5.182 -8.797 12.461 1.00 0.00 C ATOM 296 O4' G B 10 -4.865 -8.399 13.799 1.00 0.00 O ATOM 297 C3' G B 10 -5.602 -7.520 11.757 1.00 0.00 C ATOM 298 O3' G B 10 -6.362 -7.760 10.586 1.00 0.00 O ATOM 299 C2' G B 10 -6.426 -6.886 12.853 1.00 0.00 C ATOM 300 O2' G B 10 -7.661 -7.560 12.992 1.00 0.00 O ATOM 301 C1' G B 10 -5.565 -7.174 14.076 1.00 0.00 C ATOM 302 N9 G B 10 -4.600 -6.064 14.255 1.00 0.00 N ATOM 303 C8 G B 10 -3.265 -6.018 13.940 1.00 0.00 C ATOM 304 N7 G B 10 -2.694 -4.879 14.210 1.00 0.00 N ATOM 305 C5 G B 10 -3.723 -4.105 14.734 1.00 0.00 C ATOM 306 C6 G B 10 -3.706 -2.758 15.200 1.00 0.00 C ATOM 307 O6 G B 10 -2.755 -1.982 15.252 1.00 0.00 O ATOM 308 N1 G B 10 -4.962 -2.348 15.630 1.00 0.00 N ATOM 309 C2 G B 10 -6.095 -3.135 15.624 1.00 0.00 C ATOM 310 N2 G B 10 -7.220 -2.571 16.074 1.00 0.00 N ATOM 311 N3 G B 10 -6.114 -4.401 15.193 1.00 0.00 N ATOM 312 C4 G B 10 -4.896 -4.820 14.762 1.00 0.00 C ATOM 0 H5' G B 10 -3.738 -10.401 12.327 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.250 -9.775 10.773 1.00 0.00 H new ATOM 0 H4' G B 10 -5.981 -9.537 12.424 1.00 0.00 H new ATOM 0 H3' G B 10 -4.776 -6.914 11.385 1.00 0.00 H new ATOM 0 H2' G B 10 -6.656 -5.834 12.683 1.00 0.00 H new ATOM 0 HO2' G B 10 -8.184 -7.140 13.706 1.00 0.00 H new ATOM 0 H1' G B 10 -6.160 -7.264 14.985 1.00 0.00 H new ATOM 0 H8 G B 10 -2.735 -6.853 13.506 1.00 0.00 H new ATOM 0 H1 G B 10 -5.053 -1.393 15.976 1.00 0.00 H new ATOM 0 H21 G B 10 -8.088 -3.107 16.092 1.00 0.00 H new ATOM 0 H22 G B 10 -7.211 -1.604 16.400 1.00 0.00 H new ATOM 324 P A B 11 -6.584 -6.592 9.483 1.00 0.00 P ATOM 325 OP1 A B 11 -7.443 -7.137 8.408 1.00 0.00 O ATOM 326 OP2 A B 11 -5.258 -6.029 9.146 1.00 0.00 O ATOM 327 O5' A B 11 -7.422 -5.456 10.265 1.00 0.00 O ATOM 328 C5' A B 11 -8.774 -5.663 10.611 1.00 0.00 C ATOM 329 C4' A B 11 -9.307 -4.450 11.380 1.00 0.00 C ATOM 330 O4' A B 11 -8.513 -4.181 12.538 1.00 0.00 O ATOM 331 C3' A B 11 -9.285 -3.162 10.582 1.00 0.00 C ATOM 332 O3' A B 11 -10.368 -3.068 9.679 1.00 0.00 O ATOM 333 C2' A B 11 -9.393 -2.142 11.680 1.00 0.00 C ATOM 334 O2' A B 11 -10.725 -2.081 12.148 1.00 0.00 O ATOM 335 C1' A B 11 -8.510 -2.759 12.759 1.00 0.00 C ATOM 336 N9 A B 11 -7.130 -2.229 12.641 1.00 0.00 N ATOM 337 C8 A B 11 -5.986 -2.868 12.231 1.00 0.00 C ATOM 338 N7 A B 11 -4.914 -2.129 12.294 1.00 0.00 N ATOM 339 C5 A B 11 -5.380 -0.907 12.763 1.00 0.00 C ATOM 340 C6 A B 11 -4.738 0.314 13.042 1.00 0.00 C ATOM 341 N6 A B 11 -3.421 0.500 12.895 1.00 0.00 N ATOM 342 N1 A B 11 -5.502 1.338 13.464 1.00 0.00 N ATOM 343 C2 A B 11 -6.811 1.151 13.610 1.00 0.00 C ATOM 344 N3 A B 11 -7.527 0.054 13.396 1.00 0.00 N ATOM 345 C4 A B 11 -6.732 -0.954 12.964 1.00 0.00 C ATOM 0 H5' A B 11 -8.869 -6.561 11.221 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.368 -5.824 9.711 1.00 0.00 H new ATOM 0 H4' A B 11 -10.333 -4.725 11.624 1.00 0.00 H new ATOM 0 H3' A B 11 -8.407 -3.054 9.945 1.00 0.00 H new ATOM 0 H2' A B 11 -9.110 -1.133 11.381 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.333 -2.396 11.447 1.00 0.00 H new ATOM 0 H1' A B 11 -8.880 -2.519 13.756 1.00 0.00 H new ATOM 0 H8 A B 11 -5.975 -3.892 11.887 1.00 0.00 H new ATOM 0 H61 A B 11 -3.007 1.406 13.112 1.00 0.00 H new ATOM 0 H62 A B 11 -2.832 -0.265 12.566 1.00 0.00 H new ATOM 0 H2 A B 11 -7.369 2.011 13.950 1.00 0.00 H new ATOM 357 P U B 12 -10.114 -2.763 8.124 1.00 0.00 P ATOM 358 OP1 U B 12 -11.396 -2.903 7.400 1.00 0.00 O ATOM 359 OP2 U B 12 -8.924 -3.522 7.682 1.00 0.00 O ATOM 360 O5' U B 12 -9.734 -1.202 8.193 1.00 0.00 O ATOM 361 C5' U B 12 -10.718 -0.243 8.528 1.00 0.00 C ATOM 362 C4' U B 12 -10.059 1.107 8.809 1.00 0.00 C ATOM 363 O4' U B 12 -9.191 1.025 9.938 1.00 0.00 O ATOM 364 C3' U B 12 -9.189 1.591 7.670 1.00 0.00 C ATOM 365 O3' U B 12 -9.951 2.140 6.610 1.00 0.00 O ATOM 366 C2' U B 12 -8.368 2.634 8.390 1.00 0.00 C ATOM 367 O2' U B 12 -9.143 3.797 8.583 1.00 0.00 O ATOM 368 C1' U B 12 -8.134 1.977 9.753 1.00 0.00 C ATOM 369 N1 U B 12 -6.817 1.295 9.772 1.00 0.00 N ATOM 370 C2 U B 12 -5.704 2.088 10.003 1.00 0.00 C ATOM 371 O2 U B 12 -5.798 3.299 10.190 1.00 0.00 O ATOM 372 N3 U B 12 -4.478 1.441 10.015 1.00 0.00 N ATOM 373 C4 U B 12 -4.274 0.086 9.809 1.00 0.00 C ATOM 374 O4 U B 12 -3.140 -0.385 9.828 1.00 0.00 O ATOM 375 C5 U B 12 -5.491 -0.669 9.588 1.00 0.00 C ATOM 376 C6 U B 12 -6.699 -0.058 9.579 1.00 0.00 C ATOM 0 H5' U B 12 -11.276 -0.574 9.404 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.434 -0.144 7.712 1.00 0.00 H new ATOM 0 H4' U B 12 -10.891 1.793 8.970 1.00 0.00 H new ATOM 0 H3' U B 12 -8.605 0.814 7.177 1.00 0.00 H new ATOM 0 H2' U B 12 -7.460 2.919 7.859 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.609 4.472 9.051 1.00 0.00 H new ATOM 0 H1' U B 12 -8.132 2.718 10.552 1.00 0.00 H new ATOM 0 H3 U B 12 -3.652 2.013 10.191 1.00 0.00 H new ATOM 0 H5 U B 12 -5.433 -1.736 9.428 1.00 0.00 H new ATOM 0 H6 U B 12 -7.589 -0.648 9.416 1.00 0.00 H new ATOM 387 P G B 13 -9.250 2.557 5.218 1.00 0.00 P ATOM 388 OP1 G B 13 -10.312 2.974 4.275 1.00 0.00 O ATOM 389 OP2 G B 13 -8.313 1.477 4.838 1.00 0.00 O ATOM 390 O5' G B 13 -8.385 3.859 5.606 1.00 0.00 O ATOM 391 C5' G B 13 -9.009 5.111 5.816 1.00 0.00 C ATOM 392 C4' G B 13 -7.944 6.150 6.173 1.00 0.00 C ATOM 393 O4' G B 13 -7.235 5.779 7.350 1.00 0.00 O ATOM 394 C3' G B 13 -6.881 6.259 5.100 1.00 0.00 C ATOM 395 O3' G B 13 -7.308 7.035 3.992 1.00 0.00 O ATOM 396 C2' G B 13 -5.777 6.939 5.871 1.00 0.00 C ATOM 397 O2' G B 13 -5.995 8.334 5.894 1.00 0.00 O ATOM 398 C1' G B 13 -5.939 6.388 7.282 1.00 0.00 C ATOM 399 N9 G B 13 -4.878 5.396 7.537 1.00 0.00 N ATOM 400 C8 G B 13 -4.927 4.036 7.421 1.00 0.00 C ATOM 401 N7 G B 13 -3.799 3.437 7.690 1.00 0.00 N ATOM 402 C5 G B 13 -2.933 4.482 7.998 1.00 0.00 C ATOM 403 C6 G B 13 -1.552 4.460 8.363 1.00 0.00 C ATOM 404 O6 G B 13 -0.809 3.491 8.511 1.00 0.00 O ATOM 405 N1 G B 13 -1.059 5.739 8.559 1.00 0.00 N ATOM 406 C2 G B 13 -1.786 6.900 8.437 1.00 0.00 C ATOM 407 N2 G B 13 -1.132 8.042 8.674 1.00 0.00 N ATOM 408 N3 G B 13 -3.079 6.930 8.103 1.00 0.00 N ATOM 409 C4 G B 13 -3.586 5.688 7.898 1.00 0.00 C ATOM 0 H5' G B 13 -9.743 5.035 6.618 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.547 5.418 4.919 1.00 0.00 H new ATOM 0 H4' G B 13 -8.488 7.086 6.297 1.00 0.00 H new ATOM 0 H3' G B 13 -6.602 5.307 4.649 1.00 0.00 H new ATOM 0 H2' G B 13 -4.790 6.765 5.442 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.740 8.558 5.299 1.00 0.00 H new ATOM 0 H1' G B 13 -5.856 7.172 8.034 1.00 0.00 H new ATOM 0 H8 G B 13 -5.821 3.503 7.132 1.00 0.00 H new ATOM 0 H1 G B 13 -0.076 5.827 8.815 1.00 0.00 H new ATOM 0 H21 G B 13 -1.620 8.934 8.599 1.00 0.00 H new ATOM 0 H22 G B 13 -0.145 8.021 8.930 1.00 0.00 H new ATOM 421 P U B 14 -6.489 7.014 2.595 1.00 0.00 P ATOM 422 OP1 U B 14 -7.221 7.857 1.624 1.00 0.00 O ATOM 423 OP2 U B 14 -6.201 5.601 2.263 1.00 0.00 O ATOM 424 O5' U B 14 -5.084 7.742 2.927 1.00 0.00 O ATOM 425 C5' U B 14 -4.974 9.152 2.955 1.00 0.00 C ATOM 426 C4' U B 14 -3.508 9.560 3.185 1.00 0.00 C ATOM 427 O4' U B 14 -3.030 9.134 4.468 1.00 0.00 O ATOM 428 C3' U B 14 -2.556 8.931 2.180 1.00 0.00 C ATOM 429 O3' U B 14 -2.540 9.586 0.928 1.00 0.00 O ATOM 430 C2' U B 14 -1.250 9.117 2.905 1.00 0.00 C ATOM 431 O2' U B 14 -0.849 10.470 2.840 1.00 0.00 O ATOM 432 C1' U B 14 -1.633 8.796 4.336 1.00 0.00 C ATOM 433 N1 U B 14 -1.426 7.355 4.625 1.00 0.00 N ATOM 434 C2 U B 14 -0.197 6.971 5.143 1.00 0.00 C ATOM 435 O2 U B 14 0.723 7.769 5.314 1.00 0.00 O ATOM 436 N3 U B 14 -0.059 5.631 5.460 1.00 0.00 N ATOM 437 C4 U B 14 -1.028 4.653 5.308 1.00 0.00 C ATOM 438 O4 U B 14 -0.789 3.486 5.605 1.00 0.00 O ATOM 439 C5 U B 14 -2.283 5.145 4.784 1.00 0.00 C ATOM 440 C6 U B 14 -2.436 6.448 4.459 1.00 0.00 C ATOM 0 H5' U B 14 -5.602 9.559 3.748 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.334 9.572 2.016 1.00 0.00 H new ATOM 0 H4' U B 14 -3.516 10.646 3.091 1.00 0.00 H new ATOM 0 H3' U B 14 -2.815 7.905 1.917 1.00 0.00 H new ATOM 0 H2' U B 14 -0.438 8.513 2.501 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.366 10.931 2.147 1.00 0.00 H new ATOM 0 H1' U B 14 -1.018 9.357 5.039 1.00 0.00 H new ATOM 0 H3 U B 14 0.840 5.336 5.841 1.00 0.00 H new ATOM 0 H5 U B 14 -3.109 4.462 4.651 1.00 0.00 H new ATOM 0 H6 U B 14 -3.381 6.782 4.057 1.00 0.00 H new ATOM 451 P C B 15 -1.835 8.890 -0.353 1.00 0.00 P ATOM 452 OP1 C B 15 -1.857 9.858 -1.472 1.00 0.00 O ATOM 453 OP2 C B 15 -2.442 7.553 -0.530 1.00 0.00 O ATOM 454 O5' C B 15 -0.293 8.680 0.100 1.00 0.00 O ATOM 455 C5' C B 15 0.620 9.759 0.111 1.00 0.00 C ATOM 456 C4' C B 15 2.014 9.268 0.528 1.00 0.00 C ATOM 457 O4' C B 15 2.018 8.692 1.839 1.00 0.00 O ATOM 458 C3' C B 15 2.533 8.170 -0.376 1.00 0.00 C ATOM 459 O3' C B 15 2.998 8.666 -1.617 1.00 0.00 O ATOM 460 C2' C B 15 3.659 7.631 0.477 1.00 0.00 C ATOM 461 O2' C B 15 4.769 8.503 0.411 1.00 0.00 O ATOM 462 C1' C B 15 3.067 7.700 1.886 1.00 0.00 C ATOM 463 N1 C B 15 2.530 6.367 2.277 1.00 0.00 N ATOM 464 C2 C B 15 3.454 5.383 2.622 1.00 0.00 C ATOM 465 O2 C B 15 4.657 5.633 2.619 1.00 0.00 O ATOM 466 N3 C B 15 2.988 4.149 2.959 1.00 0.00 N ATOM 467 C4 C B 15 1.675 3.884 2.954 1.00 0.00 C ATOM 468 N4 C B 15 1.260 2.660 3.294 1.00 0.00 N ATOM 469 C5 C B 15 0.713 4.884 2.606 1.00 0.00 C ATOM 470 C6 C B 15 1.186 6.107 2.283 1.00 0.00 C ATOM 0 H5' C B 15 0.276 10.529 0.801 1.00 0.00 H new ATOM 0 H5'' C B 15 0.668 10.215 -0.878 1.00 0.00 H new ATOM 0 H4' C B 15 2.636 10.162 0.476 1.00 0.00 H new ATOM 0 H3' C B 15 1.785 7.433 -0.667 1.00 0.00 H new ATOM 0 H2' C B 15 3.996 6.639 0.175 1.00 0.00 H new ATOM 0 HO2' C B 15 4.624 9.164 -0.297 1.00 0.00 H new ATOM 0 H1' C B 15 3.818 7.972 2.628 1.00 0.00 H new ATOM 0 H41 C B 15 0.264 2.441 3.295 1.00 0.00 H new ATOM 0 H42 C B 15 1.940 1.944 3.552 1.00 0.00 H new ATOM 0 H5 C B 15 -0.346 4.670 2.602 1.00 0.00 H new ATOM 0 H6 C B 15 0.492 6.893 2.025 1.00 0.00 H new ATOM 482 P C B 16 3.289 7.663 -2.849 1.00 0.00 P ATOM 483 OP1 C B 16 3.779 8.467 -3.991 1.00 0.00 O ATOM 484 OP2 C B 16 2.103 6.796 -3.019 1.00 0.00 O ATOM 485 O5' C B 16 4.505 6.743 -2.327 1.00 0.00 O ATOM 486 C5' C B 16 5.833 7.225 -2.312 1.00 0.00 C ATOM 487 C4' C B 16 6.768 6.112 -1.831 1.00 0.00 C ATOM 488 O4' C B 16 6.457 5.700 -0.508 1.00 0.00 O ATOM 489 C3' C B 16 6.622 4.853 -2.655 1.00 0.00 C ATOM 490 O3' C B 16 7.261 4.941 -3.909 1.00 0.00 O ATOM 491 C2' C B 16 7.281 3.848 -1.765 1.00 0.00 C ATOM 492 O2' C B 16 8.685 3.953 -1.882 1.00 0.00 O ATOM 493 C1' C B 16 6.843 4.322 -0.384 1.00 0.00 C ATOM 494 N1 C B 16 5.698 3.493 0.055 1.00 0.00 N ATOM 495 C2 C B 16 5.982 2.266 0.646 1.00 0.00 C ATOM 496 O2 C B 16 7.146 1.936 0.863 1.00 0.00 O ATOM 497 N3 C B 16 4.941 1.448 0.966 1.00 0.00 N ATOM 498 C4 C B 16 3.678 1.810 0.704 1.00 0.00 C ATOM 499 N4 C B 16 2.685 0.979 1.037 1.00 0.00 N ATOM 500 C5 C B 16 3.377 3.059 0.071 1.00 0.00 C ATOM 501 C6 C B 16 4.415 3.862 -0.228 1.00 0.00 C ATOM 0 H5' C B 16 5.911 8.091 -1.654 1.00 0.00 H new ATOM 0 H5'' C B 16 6.124 7.555 -3.309 1.00 0.00 H new ATOM 0 H4' C B 16 7.768 6.539 -1.909 1.00 0.00 H new ATOM 0 H3' C B 16 5.590 4.620 -2.917 1.00 0.00 H new ATOM 0 H2' C B 16 7.021 2.813 -1.988 1.00 0.00 H new ATOM 0 HO2' C B 16 8.914 4.303 -2.768 1.00 0.00 H new ATOM 0 HO3' C B 16 7.137 4.101 -4.399 1.00 0.00 H new ATOM 0 H1' C B 16 7.642 4.229 0.352 1.00 0.00 H new ATOM 0 H41 C B 16 1.717 1.238 0.845 1.00 0.00 H new ATOM 0 H42 C B 16 2.895 0.086 1.483 1.00 0.00 H new ATOM 0 H5 C B 16 2.361 3.344 -0.157 1.00 0.00 H new ATOM 0 H6 C B 16 4.229 4.815 -0.700 1.00 0.00 H new TER 514 C B 16