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= -0.211 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.374 USER MOD Single : A 3 A O2' : rot -29:sc= 0.144 USER MOD Single : A 4 U O2' : rot 180:sc= -0.239 USER MOD Single : A 5 G O2' : rot -9:sc= 0.13 USER MOD Single : A 6 U O2' : rot -15:sc= -0.421 USER MOD Single : A 7 C O2' : rot 180:sc= -0.286 USER MOD Single : A 8 C O2' : rot -21:sc= 0.14 USER MOD Single : A 8 C O3' : rot 180:sc= 0.193 USER MOD Single : B 9 G O2' : rot 180:sc= -0.221 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00101 USER MOD Single : B 10 G O2' : rot 180:sc= -0.371 USER MOD Single : B 11 A O2' : rot -26:sc= 0.163 USER MOD Single : B 12 U O2' : rot -1:sc= -0.19 USER MOD Single : B 13 G O2' : rot -6:sc= 0.0905 USER MOD Single : B 14 U O2' : rot -15:sc= -0.429 USER MOD Single : B 15 C O2' : rot 180:sc= -0.294 USER MOD Single : B 16 C O2' : rot -27:sc= 0.118 USER MOD Single : B 16 C O3' : rot 180:sc= 0.147 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.408 -8.132 5.480 1.00 0.00 O ATOM 2 C5' G A 1 6.762 -8.519 5.565 1.00 0.00 C ATOM 3 C4' G A 1 7.664 -7.363 5.128 1.00 0.00 C ATOM 4 O4' G A 1 7.423 -6.999 3.770 1.00 0.00 O ATOM 5 C3' G A 1 7.421 -6.099 5.926 1.00 0.00 C ATOM 6 O3' G A 1 8.002 -6.148 7.217 1.00 0.00 O ATOM 7 C2' G A 1 8.103 -5.098 5.025 1.00 0.00 C ATOM 8 O2' G A 1 9.504 -5.225 5.140 1.00 0.00 O ATOM 9 C1' G A 1 7.676 -5.591 3.642 1.00 0.00 C ATOM 10 N9 G A 1 6.436 -4.893 3.238 1.00 0.00 N ATOM 11 C8 G A 1 5.145 -5.356 3.238 1.00 0.00 C ATOM 12 N7 G A 1 4.267 -4.478 2.840 1.00 0.00 N ATOM 13 C5 G A 1 5.028 -3.349 2.555 1.00 0.00 C ATOM 14 C6 G A 1 4.622 -2.065 2.084 1.00 0.00 C ATOM 15 O6 G A 1 3.486 -1.673 1.825 1.00 0.00 O ATOM 16 N1 G A 1 5.707 -1.211 1.924 1.00 0.00 N ATOM 17 C2 G A 1 7.019 -1.542 2.186 1.00 0.00 C ATOM 18 N2 G A 1 7.933 -0.588 1.980 1.00 0.00 N ATOM 19 N3 G A 1 7.404 -2.743 2.632 1.00 0.00 N ATOM 20 C4 G A 1 6.359 -3.595 2.793 1.00 0.00 C ATOM 0 H5' G A 1 6.941 -9.389 4.934 1.00 0.00 H new ATOM 0 H5'' G A 1 7.002 -8.812 6.587 1.00 0.00 H new ATOM 0 H4' G A 1 8.678 -7.732 5.282 1.00 0.00 H new ATOM 0 H3' G A 1 6.374 -5.888 6.144 1.00 0.00 H new ATOM 0 H2' G A 1 7.851 -4.060 5.243 1.00 0.00 H new ATOM 0 HO2' G A 1 9.941 -4.574 4.552 1.00 0.00 H new ATOM 0 HO5' G A 1 4.837 -8.877 5.760 1.00 0.00 H new ATOM 0 H1' G A 1 8.442 -5.397 2.891 1.00 0.00 H new ATOM 0 H8 G A 1 4.879 -6.358 3.541 1.00 0.00 H new ATOM 0 H1 G A 1 5.518 -0.267 1.587 1.00 0.00 H new ATOM 0 H21 G A 1 8.919 -0.779 2.158 1.00 0.00 H new ATOM 0 H22 G A 1 7.644 0.331 1.645 1.00 0.00 H new ATOM 33 P G A 2 7.617 -5.049 8.340 1.00 0.00 P ATOM 34 OP1 G A 2 8.364 -5.374 9.575 1.00 0.00 O ATOM 35 OP2 G A 2 6.142 -4.942 8.383 1.00 0.00 O ATOM 36 O5' G A 2 8.200 -3.667 7.751 1.00 0.00 O ATOM 37 C5' G A 2 9.587 -3.399 7.766 1.00 0.00 C ATOM 38 C4' G A 2 9.853 -2.042 7.112 1.00 0.00 C ATOM 39 O4' G A 2 9.338 -1.998 5.778 1.00 0.00 O ATOM 40 C3' G A 2 9.176 -0.894 7.835 1.00 0.00 C ATOM 41 O3' G A 2 9.852 -0.509 9.019 1.00 0.00 O ATOM 42 C2' G A 2 9.265 0.159 6.756 1.00 0.00 C ATOM 43 O2' G A 2 10.597 0.612 6.629 1.00 0.00 O ATOM 44 C1' G A 2 8.901 -0.653 5.519 1.00 0.00 C ATOM 45 N9 G A 2 7.431 -0.622 5.338 1.00 0.00 N ATOM 46 C8 G A 2 6.503 -1.590 5.631 1.00 0.00 C ATOM 47 N7 G A 2 5.275 -1.244 5.367 1.00 0.00 N ATOM 48 C5 G A 2 5.390 0.049 4.871 1.00 0.00 C ATOM 49 C6 G A 2 4.379 0.948 4.422 1.00 0.00 C ATOM 50 O6 G A 2 3.166 0.762 4.366 1.00 0.00 O ATOM 51 N1 G A 2 4.917 2.163 4.016 1.00 0.00 N ATOM 52 C2 G A 2 6.259 2.477 4.031 1.00 0.00 C ATOM 53 N2 G A 2 6.594 3.700 3.605 1.00 0.00 N ATOM 54 N3 G A 2 7.212 1.635 4.446 1.00 0.00 N ATOM 55 C4 G A 2 6.706 0.442 4.853 1.00 0.00 C ATOM 0 H5' G A 2 10.125 -4.183 7.233 1.00 0.00 H new ATOM 0 H5'' G A 2 9.957 -3.399 8.791 1.00 0.00 H new ATOM 0 H4' G A 2 10.937 -1.932 7.143 1.00 0.00 H new ATOM 0 H3' G A 2 8.171 -1.111 8.198 1.00 0.00 H new ATOM 0 H2' G A 2 8.643 1.036 6.937 1.00 0.00 H new ATOM 0 HO2' G A 2 10.645 1.293 5.926 1.00 0.00 H new ATOM 0 H1' G A 2 9.367 -0.257 4.617 1.00 0.00 H new ATOM 0 H8 G A 2 6.767 -2.553 6.044 1.00 0.00 H new ATOM 0 H1 G A 2 4.270 2.877 3.681 1.00 0.00 H new ATOM 0 H21 G A 2 7.573 3.986 3.595 1.00 0.00 H new ATOM 0 H22 G A 2 5.870 4.346 3.291 1.00 0.00 H new ATOM 67 P A A 3 9.126 0.428 10.126 1.00 0.00 P ATOM 68 OP1 A A 3 10.090 0.672 11.222 1.00 0.00 O ATOM 69 OP2 A A 3 7.807 -0.169 10.431 1.00 0.00 O ATOM 70 O5' A A 3 8.873 1.827 9.362 1.00 0.00 O ATOM 71 C5' A A 3 9.949 2.679 9.039 1.00 0.00 C ATOM 72 C4' A A 3 9.435 3.906 8.281 1.00 0.00 C ATOM 73 O4' A A 3 8.708 3.525 7.109 1.00 0.00 O ATOM 74 C3' A A 3 8.472 4.761 9.080 1.00 0.00 C ATOM 75 O3' A A 3 9.137 5.615 9.988 1.00 0.00 O ATOM 76 C2' A A 3 7.794 5.541 7.988 1.00 0.00 C ATOM 77 O2' A A 3 8.646 6.571 7.530 1.00 0.00 O ATOM 78 C1' A A 3 7.652 4.482 6.901 1.00 0.00 C ATOM 79 N9 A A 3 6.332 3.818 7.019 1.00 0.00 N ATOM 80 C8 A A 3 6.034 2.543 7.434 1.00 0.00 C ATOM 81 N7 A A 3 4.765 2.247 7.370 1.00 0.00 N ATOM 82 C5 A A 3 4.175 3.412 6.897 1.00 0.00 C ATOM 83 C6 A A 3 2.841 3.757 6.616 1.00 0.00 C ATOM 84 N6 A A 3 1.817 2.908 6.765 1.00 0.00 N ATOM 85 N1 A A 3 2.597 5.010 6.190 1.00 0.00 N ATOM 86 C2 A A 3 3.616 5.852 6.043 1.00 0.00 C ATOM 87 N3 A A 3 4.908 5.645 6.258 1.00 0.00 N ATOM 88 C4 A A 3 5.120 4.381 6.694 1.00 0.00 C ATOM 0 H5' A A 3 10.677 2.144 8.430 1.00 0.00 H new ATOM 0 H5'' A A 3 10.462 2.992 9.949 1.00 0.00 H new ATOM 0 H4' A A 3 10.340 4.470 8.053 1.00 0.00 H new ATOM 0 H3' A A 3 7.796 4.184 9.711 1.00 0.00 H new ATOM 0 H2' A A 3 6.859 6.013 8.291 1.00 0.00 H new ATOM 0 HO2' A A 3 9.236 6.856 8.259 1.00 0.00 H new ATOM 0 H1' A A 3 7.720 4.925 5.907 1.00 0.00 H new ATOM 0 H8 A A 3 6.783 1.848 7.782 1.00 0.00 H new ATOM 0 H61 A A 3 0.868 3.211 6.546 1.00 0.00 H new ATOM 0 H62 A A 3 1.986 1.959 7.097 1.00 0.00 H new ATOM 0 H2 A A 3 3.355 6.842 5.701 1.00 0.00 H new ATOM 100 P U A 4 8.735 5.631 11.542 1.00 0.00 P ATOM 101 OP1 U A 4 9.705 6.478 12.271 1.00 0.00 O ATOM 102 OP2 U A 4 8.487 4.240 11.979 1.00 0.00 O ATOM 103 O5' U A 4 7.330 6.409 11.471 1.00 0.00 O ATOM 104 C5' U A 4 7.292 7.782 11.135 1.00 0.00 C ATOM 105 C4' U A 4 5.853 8.213 10.848 1.00 0.00 C ATOM 106 O4' U A 4 5.328 7.519 9.719 1.00 0.00 O ATOM 107 C3' U A 4 4.904 7.907 11.987 1.00 0.00 C ATOM 108 O3' U A 4 5.009 8.852 13.036 1.00 0.00 O ATOM 109 C2' U A 4 3.580 7.995 11.264 1.00 0.00 C ATOM 110 O2' U A 4 3.233 9.349 11.064 1.00 0.00 O ATOM 111 C1' U A 4 3.913 7.375 9.905 1.00 0.00 C ATOM 112 N1 U A 4 3.534 5.940 9.891 1.00 0.00 N ATOM 113 C2 U A 4 2.201 5.645 9.653 1.00 0.00 C ATOM 114 O2 U A 4 1.367 6.526 9.459 1.00 0.00 O ATOM 115 N3 U A 4 1.858 4.302 9.645 1.00 0.00 N ATOM 116 C4 U A 4 2.725 3.242 9.860 1.00 0.00 C ATOM 117 O4 U A 4 2.313 2.085 9.843 1.00 0.00 O ATOM 118 C5 U A 4 4.100 3.640 10.087 1.00 0.00 C ATOM 119 C6 U A 4 4.457 4.945 10.093 1.00 0.00 C ATOM 0 H5' U A 4 7.917 7.968 10.261 1.00 0.00 H new ATOM 0 H5'' U A 4 7.702 8.376 11.952 1.00 0.00 H new ATOM 0 H4' U A 4 5.913 9.289 10.684 1.00 0.00 H new ATOM 0 H3' U A 4 5.083 6.956 12.489 1.00 0.00 H new ATOM 0 H2' U A 4 2.759 7.515 11.797 1.00 0.00 H new ATOM 0 HO2' U A 4 2.374 9.401 10.594 1.00 0.00 H new ATOM 0 H1' U A 4 3.363 7.869 9.104 1.00 0.00 H new ATOM 0 H3 U A 4 0.880 4.073 9.465 1.00 0.00 H new ATOM 0 H5 U A 4 4.852 2.883 10.254 1.00 0.00 H new ATOM 0 H6 U A 4 5.491 5.209 10.260 1.00 0.00 H new ATOM 130 P G A 5 4.238 8.624 14.435 1.00 0.00 P ATOM 131 OP1 G A 5 4.635 9.706 15.363 1.00 0.00 O ATOM 132 OP2 G A 5 4.424 7.211 14.833 1.00 0.00 O ATOM 133 O5' G A 5 2.688 8.836 14.054 1.00 0.00 O ATOM 134 C5' G A 5 2.161 10.131 13.841 1.00 0.00 C ATOM 135 C4' G A 5 0.674 10.021 13.500 1.00 0.00 C ATOM 136 O4' G A 5 0.470 9.243 12.326 1.00 0.00 O ATOM 137 C3' G A 5 -0.100 9.296 14.581 1.00 0.00 C ATOM 138 O3' G A 5 -0.386 10.129 15.693 1.00 0.00 O ATOM 139 C2' G A 5 -1.349 8.919 13.823 1.00 0.00 C ATOM 140 O2' G A 5 -2.251 10.007 13.813 1.00 0.00 O ATOM 141 C1' G A 5 -0.844 8.679 12.406 1.00 0.00 C ATOM 142 N9 G A 5 -0.810 7.230 12.142 1.00 0.00 N ATOM 143 C8 G A 5 0.240 6.362 12.243 1.00 0.00 C ATOM 144 N7 G A 5 -0.064 5.123 11.965 1.00 0.00 N ATOM 145 C5 G A 5 -1.422 5.173 11.665 1.00 0.00 C ATOM 146 C6 G A 5 -2.324 4.130 11.294 1.00 0.00 C ATOM 147 O6 G A 5 -2.095 2.932 11.135 1.00 0.00 O ATOM 148 N1 G A 5 -3.609 4.614 11.108 1.00 0.00 N ATOM 149 C2 G A 5 -3.993 5.927 11.244 1.00 0.00 C ATOM 150 N2 G A 5 -5.281 6.199 11.013 1.00 0.00 N ATOM 151 N3 G A 5 -3.154 6.910 11.583 1.00 0.00 N ATOM 152 C4 G A 5 -1.888 6.461 11.779 1.00 0.00 C ATOM 0 H5' G A 5 2.696 10.625 13.030 1.00 0.00 H new ATOM 0 H5'' G A 5 2.297 10.743 14.733 1.00 0.00 H new ATOM 0 H4' G A 5 0.332 11.049 13.379 1.00 0.00 H new ATOM 0 H3' G A 5 0.433 8.456 15.026 1.00 0.00 H new ATOM 0 H2' G A 5 -1.867 8.063 14.255 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.927 10.706 14.418 1.00 0.00 H new ATOM 0 H1' G A 5 -1.495 9.141 11.663 1.00 0.00 H new ATOM 0 H8 G A 5 1.234 6.673 12.528 1.00 0.00 H new ATOM 0 H1 G A 5 -4.330 3.940 10.849 1.00 0.00 H new ATOM 0 H21 G A 5 -5.623 7.156 11.099 1.00 0.00 H new ATOM 0 H22 G A 5 -5.921 5.450 10.751 1.00 0.00 H new ATOM 164 P U A 6 -0.890 9.500 17.097 1.00 0.00 P ATOM 165 OP1 U A 6 -1.040 10.609 18.066 1.00 0.00 O ATOM 166 OP2 U A 6 -0.006 8.360 17.423 1.00 0.00 O ATOM 167 O5' U A 6 -2.362 8.911 16.781 1.00 0.00 O ATOM 168 C5' U A 6 -3.504 9.748 16.769 1.00 0.00 C ATOM 169 C4' U A 6 -4.769 8.901 16.549 1.00 0.00 C ATOM 170 O4' U A 6 -4.767 8.265 15.265 1.00 0.00 O ATOM 171 C3' U A 6 -4.896 7.766 17.551 1.00 0.00 C ATOM 172 O3' U A 6 -5.378 8.175 18.815 1.00 0.00 O ATOM 173 C2' U A 6 -5.903 6.908 16.836 1.00 0.00 C ATOM 174 O2' U A 6 -7.181 7.502 16.920 1.00 0.00 O ATOM 175 C1' U A 6 -5.429 6.992 15.398 1.00 0.00 C ATOM 176 N1 U A 6 -4.484 5.890 15.088 1.00 0.00 N ATOM 177 C2 U A 6 -5.009 4.720 14.559 1.00 0.00 C ATOM 178 O2 U A 6 -6.217 4.555 14.401 1.00 0.00 O ATOM 179 N3 U A 6 -4.094 3.740 14.216 1.00 0.00 N ATOM 180 C4 U A 6 -2.719 3.825 14.353 1.00 0.00 C ATOM 181 O4 U A 6 -2.000 2.882 14.034 1.00 0.00 O ATOM 182 C5 U A 6 -2.258 5.085 14.891 1.00 0.00 C ATOM 183 C6 U A 6 -3.134 6.052 15.242 1.00 0.00 C ATOM 0 H5' U A 6 -3.412 10.493 15.978 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.578 10.291 17.711 1.00 0.00 H new ATOM 0 H4' U A 6 -5.590 9.611 16.653 1.00 0.00 H new ATOM 0 H3' U A 6 -3.947 7.289 17.797 1.00 0.00 H new ATOM 0 H2' U A 6 -5.977 5.897 17.235 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.176 8.191 17.617 1.00 0.00 H new ATOM 0 H1' U A 6 -6.266 6.900 14.706 1.00 0.00 H new ATOM 0 H3 U A 6 -4.467 2.875 13.826 1.00 0.00 H new ATOM 0 H5 U A 6 -1.199 5.256 15.014 1.00 0.00 H new ATOM 0 H6 U A 6 -2.759 6.977 15.655 1.00 0.00 H new ATOM 194 P C A 7 -5.305 7.173 20.084 1.00 0.00 P ATOM 195 OP1 C A 7 -5.995 7.821 21.221 1.00 0.00 O ATOM 196 OP2 C A 7 -3.899 6.736 20.234 1.00 0.00 O ATOM 197 O5' C A 7 -6.179 5.886 19.632 1.00 0.00 O ATOM 198 C5' C A 7 -7.592 5.921 19.644 1.00 0.00 C ATOM 199 C4' C A 7 -8.155 4.557 19.217 1.00 0.00 C ATOM 200 O4' C A 7 -7.748 4.191 17.893 1.00 0.00 O ATOM 201 C3' C A 7 -7.659 3.430 20.095 1.00 0.00 C ATOM 202 O3' C A 7 -8.305 3.399 21.355 1.00 0.00 O ATOM 203 C2' C A 7 -8.030 2.245 19.234 1.00 0.00 C ATOM 204 O2' C A 7 -9.419 2.010 19.324 1.00 0.00 O ATOM 205 C1' C A 7 -7.713 2.748 17.825 1.00 0.00 C ATOM 206 N1 C A 7 -6.371 2.261 17.401 1.00 0.00 N ATOM 207 C2 C A 7 -6.270 0.925 17.021 1.00 0.00 C ATOM 208 O2 C A 7 -7.263 0.201 17.030 1.00 0.00 O ATOM 209 N3 C A 7 -5.049 0.451 16.644 1.00 0.00 N ATOM 210 C4 C A 7 -3.972 1.247 16.646 1.00 0.00 C ATOM 211 N4 C A 7 -2.794 0.743 16.265 1.00 0.00 N ATOM 212 C5 C A 7 -4.060 2.622 17.033 1.00 0.00 C ATOM 213 C6 C A 7 -5.277 3.083 17.394 1.00 0.00 C ATOM 0 H5' C A 7 -7.950 6.699 18.970 1.00 0.00 H new ATOM 0 H5'' C A 7 -7.949 6.175 20.642 1.00 0.00 H new ATOM 0 H4' C A 7 -9.235 4.682 19.289 1.00 0.00 H new ATOM 0 H3' C A 7 -6.604 3.492 20.362 1.00 0.00 H new ATOM 0 H2' C A 7 -7.514 1.326 19.513 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.658 1.242 18.764 1.00 0.00 H new ATOM 0 H1' C A 7 -8.431 2.381 17.092 1.00 0.00 H new ATOM 0 H41 C A 7 -1.963 1.335 16.260 1.00 0.00 H new ATOM 0 H42 C A 7 -2.726 -0.234 15.979 1.00 0.00 H new ATOM 0 H5 C A 7 -3.191 3.263 17.036 1.00 0.00 H new ATOM 0 H6 C A 7 -5.389 4.118 17.682 1.00 0.00 H new ATOM 225 P C A 8 -7.734 2.480 22.553 1.00 0.00 P ATOM 226 OP1 C A 8 -8.619 2.650 23.727 1.00 0.00 O ATOM 227 OP2 C A 8 -6.285 2.751 22.683 1.00 0.00 O ATOM 228 O5' C A 8 -7.909 0.974 22.009 1.00 0.00 O ATOM 229 C5' C A 8 -9.169 0.337 22.015 1.00 0.00 C ATOM 230 C4' C A 8 -9.011 -1.095 21.494 1.00 0.00 C ATOM 231 O4' C A 8 -8.531 -1.116 20.158 1.00 0.00 O ATOM 232 C3' C A 8 -7.976 -1.871 22.275 1.00 0.00 C ATOM 233 O3' C A 8 -8.452 -2.309 23.529 1.00 0.00 O ATOM 234 C2' C A 8 -7.709 -3.014 21.348 1.00 0.00 C ATOM 235 O2' C A 8 -8.739 -3.974 21.462 1.00 0.00 O ATOM 236 C1' C A 8 -7.787 -2.334 19.986 1.00 0.00 C ATOM 237 N1 C A 8 -6.409 -2.044 19.526 1.00 0.00 N ATOM 238 C2 C A 8 -5.721 -3.061 18.872 1.00 0.00 C ATOM 239 O2 C A 8 -6.279 -4.127 18.620 1.00 0.00 O ATOM 240 N3 C A 8 -4.421 -2.843 18.528 1.00 0.00 N ATOM 241 C4 C A 8 -3.818 -1.684 18.824 1.00 0.00 C ATOM 242 N4 C A 8 -2.542 -1.510 18.467 1.00 0.00 N ATOM 243 C5 C A 8 -4.510 -0.641 19.519 1.00 0.00 C ATOM 244 C6 C A 8 -5.797 -0.866 19.843 1.00 0.00 C ATOM 0 H5' C A 8 -9.872 0.889 21.391 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.580 0.326 23.025 1.00 0.00 H new ATOM 0 H4' C A 8 -10.005 -1.534 21.585 1.00 0.00 H new ATOM 0 H3' C A 8 -7.094 -1.285 22.534 1.00 0.00 H new ATOM 0 H2' C A 8 -6.770 -3.534 21.537 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.196 -3.863 22.322 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.745 -2.806 23.992 1.00 0.00 H new ATOM 0 H1' C A 8 -8.277 -2.964 19.244 1.00 0.00 H new ATOM 0 H41 C A 8 -2.067 -0.634 18.684 1.00 0.00 H new ATOM 0 H42 C A 8 -2.044 -2.253 17.977 1.00 0.00 H new ATOM 0 H5 C A 8 -4.020 0.287 19.773 1.00 0.00 H new ATOM 0 H6 C A 8 -6.355 -0.101 20.363 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.432 -9.516 13.903 1.00 0.00 O ATOM 259 C5' G B 9 1.813 -10.781 13.813 1.00 0.00 C ATOM 260 C4' G B 9 0.357 -10.684 14.276 1.00 0.00 C ATOM 261 O4' G B 9 0.270 -10.277 15.640 1.00 0.00 O ATOM 262 C3' G B 9 -0.434 -9.649 13.503 1.00 0.00 C ATOM 263 O3' G B 9 -0.807 -10.097 12.212 1.00 0.00 O ATOM 264 C2' G B 9 -1.619 -9.497 14.426 1.00 0.00 C ATOM 265 O2' G B 9 -2.463 -10.622 14.310 1.00 0.00 O ATOM 266 C1' G B 9 -0.944 -9.526 15.797 1.00 0.00 C ATOM 267 N9 G B 9 -0.628 -8.143 16.214 1.00 0.00 N ATOM 268 C8 G B 9 0.580 -7.492 16.204 1.00 0.00 C ATOM 269 N7 G B 9 0.520 -6.258 16.619 1.00 0.00 N ATOM 270 C5 G B 9 -0.825 -6.073 16.928 1.00 0.00 C ATOM 271 C6 G B 9 -1.500 -4.919 17.425 1.00 0.00 C ATOM 272 O6 G B 9 -1.029 -3.816 17.691 1.00 0.00 O ATOM 273 N1 G B 9 -2.858 -5.157 17.603 1.00 0.00 N ATOM 274 C2 G B 9 -3.493 -6.351 17.335 1.00 0.00 C ATOM 275 N2 G B 9 -4.810 -6.396 17.561 1.00 0.00 N ATOM 276 N3 G B 9 -2.864 -7.435 16.865 1.00 0.00 N ATOM 277 C4 G B 9 -1.535 -7.224 16.686 1.00 0.00 C ATOM 0 H5' G B 9 2.351 -11.503 14.427 1.00 0.00 H new ATOM 0 H5'' G B 9 1.853 -11.143 12.786 1.00 0.00 H new ATOM 0 H4' G B 9 -0.049 -11.683 14.117 1.00 0.00 H new ATOM 0 H3' G B 9 0.106 -8.727 13.287 1.00 0.00 H new ATOM 0 H2' G B 9 -2.225 -8.613 14.230 1.00 0.00 H new ATOM 0 HO2' G B 9 -3.230 -10.519 14.912 1.00 0.00 H new ATOM 0 HO5' G B 9 3.364 -9.586 13.607 1.00 0.00 H new ATOM 0 H1' G B 9 -1.588 -9.976 16.553 1.00 0.00 H new ATOM 0 H8 G B 9 1.498 -7.960 15.881 1.00 0.00 H new ATOM 0 H1 G B 9 -3.428 -4.390 17.959 1.00 0.00 H new ATOM 0 H21 G B 9 -5.330 -7.255 17.380 1.00 0.00 H new ATOM 0 H22 G B 9 -5.295 -5.571 17.915 1.00 0.00 H new ATOM 290 P G B 10 -1.387 -9.064 11.112 1.00 0.00 P ATOM 291 OP1 G B 10 -1.664 -9.821 9.871 1.00 0.00 O ATOM 292 OP2 G B 10 -0.484 -7.892 11.069 1.00 0.00 O ATOM 293 O5' G B 10 -2.797 -8.585 11.730 1.00 0.00 O ATOM 294 C5' G B 10 -3.920 -9.440 11.723 1.00 0.00 C ATOM 295 C4' G B 10 -5.099 -8.741 12.406 1.00 0.00 C ATOM 296 O4' G B 10 -4.766 -8.342 13.738 1.00 0.00 O ATOM 297 C3' G B 10 -5.516 -7.464 11.703 1.00 0.00 C ATOM 298 O3' G B 10 -6.275 -7.700 10.530 1.00 0.00 O ATOM 299 C2' G B 10 -6.342 -6.840 12.803 1.00 0.00 C ATOM 300 O2' G B 10 -7.565 -7.532 12.943 1.00 0.00 O ATOM 301 C1' G B 10 -5.474 -7.124 14.024 1.00 0.00 C ATOM 302 N9 G B 10 -4.516 -6.009 14.205 1.00 0.00 N ATOM 303 C8 G B 10 -3.180 -5.957 13.893 1.00 0.00 C ATOM 304 N7 G B 10 -2.616 -4.815 14.165 1.00 0.00 N ATOM 305 C5 G B 10 -3.649 -4.047 14.689 1.00 0.00 C ATOM 306 C6 G B 10 -3.640 -2.701 15.158 1.00 0.00 C ATOM 307 O6 G B 10 -2.693 -1.921 15.212 1.00 0.00 O ATOM 308 N1 G B 10 -4.899 -2.299 15.588 1.00 0.00 N ATOM 309 C2 G B 10 -6.027 -3.091 15.578 1.00 0.00 C ATOM 310 N2 G B 10 -7.156 -2.533 16.029 1.00 0.00 N ATOM 311 N3 G B 10 -6.040 -4.357 15.144 1.00 0.00 N ATOM 312 C4 G B 10 -4.819 -4.767 14.713 1.00 0.00 C ATOM 0 H5' G B 10 -3.685 -10.370 12.241 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.183 -9.703 10.699 1.00 0.00 H new ATOM 0 H4' G B 10 -5.904 -9.476 12.382 1.00 0.00 H new ATOM 0 H3' G B 10 -4.691 -6.856 11.331 1.00 0.00 H new ATOM 0 H2' G B 10 -6.583 -5.790 12.638 1.00 0.00 H new ATOM 0 HO2' G B 10 -8.093 -7.121 13.659 1.00 0.00 H new ATOM 0 H1' G B 10 -6.066 -7.219 14.935 1.00 0.00 H new ATOM 0 H8 G B 10 -2.644 -6.789 13.460 1.00 0.00 H new ATOM 0 H1 G B 10 -4.996 -1.346 15.937 1.00 0.00 H new ATOM 0 H21 G B 10 -8.021 -3.073 16.044 1.00 0.00 H new ATOM 0 H22 G B 10 -7.152 -1.567 16.358 1.00 0.00 H new ATOM 324 P A B 11 -6.509 -6.524 9.438 1.00 0.00 P ATOM 325 OP1 A B 11 -7.357 -7.069 8.355 1.00 0.00 O ATOM 326 OP2 A B 11 -5.189 -5.941 9.110 1.00 0.00 O ATOM 327 O5' A B 11 -7.363 -5.407 10.229 1.00 0.00 O ATOM 328 C5' A B 11 -8.711 -5.638 10.575 1.00 0.00 C ATOM 329 C4' A B 11 -9.260 -4.442 11.356 1.00 0.00 C ATOM 330 O4' A B 11 -8.467 -4.171 12.515 1.00 0.00 O ATOM 331 C3' A B 11 -9.262 -3.145 10.571 1.00 0.00 C ATOM 332 O3' A B 11 -10.355 -3.056 9.679 1.00 0.00 O ATOM 333 C2' A B 11 -9.378 -2.138 11.679 1.00 0.00 C ATOM 334 O2' A B 11 -10.708 -2.108 12.153 1.00 0.00 O ATOM 335 C1' A B 11 -8.478 -2.750 12.745 1.00 0.00 C ATOM 336 N9 A B 11 -7.105 -2.204 12.617 1.00 0.00 N ATOM 337 C8 A B 11 -5.959 -2.827 12.188 1.00 0.00 C ATOM 338 N7 A B 11 -4.893 -2.078 12.250 1.00 0.00 N ATOM 339 C5 A B 11 -5.366 -0.866 12.737 1.00 0.00 C ATOM 340 C6 A B 11 -4.733 0.356 13.024 1.00 0.00 C ATOM 341 N6 A B 11 -3.418 0.556 12.867 1.00 0.00 N ATOM 342 N1 A B 11 -5.502 1.369 13.465 1.00 0.00 N ATOM 343 C2 A B 11 -6.807 1.168 13.620 1.00 0.00 C ATOM 344 N3 A B 11 -7.515 0.068 13.401 1.00 0.00 N ATOM 345 C4 A B 11 -6.716 -0.928 12.951 1.00 0.00 C ATOM 0 H5' A B 11 -8.791 -6.544 11.176 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.304 -5.799 9.675 1.00 0.00 H new ATOM 0 H4' A B 11 -10.281 -4.737 11.600 1.00 0.00 H new ATOM 0 H3' A B 11 -8.390 -3.020 9.929 1.00 0.00 H new ATOM 0 H2' A B 11 -9.113 -1.121 11.391 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.316 -2.395 11.440 1.00 0.00 H new ATOM 0 H1' A B 11 -8.841 -2.520 13.747 1.00 0.00 H new ATOM 0 H8 A B 11 -5.942 -3.846 11.831 1.00 0.00 H new ATOM 0 H61 A B 11 -3.010 1.464 13.091 1.00 0.00 H new ATOM 0 H62 A B 11 -2.825 -0.199 12.524 1.00 0.00 H new ATOM 0 H2 A B 11 -7.369 2.020 13.974 1.00 0.00 H new ATOM 357 P U B 12 -10.120 -2.737 8.124 1.00 0.00 P ATOM 358 OP1 U B 12 -11.408 -2.887 7.412 1.00 0.00 O ATOM 359 OP2 U B 12 -8.925 -3.477 7.665 1.00 0.00 O ATOM 360 O5' U B 12 -9.760 -1.172 8.202 1.00 0.00 O ATOM 361 C5' U B 12 -10.753 -0.228 8.550 1.00 0.00 C ATOM 362 C4' U B 12 -10.111 1.128 8.843 1.00 0.00 C ATOM 363 O4' U B 12 -9.234 1.044 9.964 1.00 0.00 O ATOM 364 C3' U B 12 -9.257 1.637 7.701 1.00 0.00 C ATOM 365 O3' U B 12 -10.039 2.202 6.664 1.00 0.00 O ATOM 366 C2' U B 12 -8.429 2.673 8.426 1.00 0.00 C ATOM 367 O2' U B 12 -9.199 3.838 8.640 1.00 0.00 O ATOM 368 C1' U B 12 -8.183 2.001 9.779 1.00 0.00 C ATOM 369 N1 U B 12 -6.862 1.324 9.780 1.00 0.00 N ATOM 370 C2 U B 12 -5.751 2.117 10.018 1.00 0.00 C ATOM 371 O2 U B 12 -5.849 3.324 10.225 1.00 0.00 O ATOM 372 N3 U B 12 -4.522 1.476 10.013 1.00 0.00 N ATOM 373 C4 U B 12 -4.314 0.125 9.782 1.00 0.00 C ATOM 374 O4 U B 12 -3.177 -0.341 9.786 1.00 0.00 O ATOM 375 C5 U B 12 -5.529 -0.631 9.557 1.00 0.00 C ATOM 376 C6 U B 12 -6.740 -0.025 9.565 1.00 0.00 C ATOM 0 H5' U B 12 -11.304 -0.574 9.424 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.473 -0.130 7.737 1.00 0.00 H new ATOM 0 H4' U B 12 -10.950 1.802 9.019 1.00 0.00 H new ATOM 0 H3' U B 12 -8.675 0.871 7.188 1.00 0.00 H new ATOM 0 H2' U B 12 -7.527 2.963 7.888 1.00 0.00 H new ATOM 0 HO2' U B 12 -10.091 3.717 8.252 1.00 0.00 H new ATOM 0 H1' U B 12 -8.179 2.734 10.586 1.00 0.00 H new ATOM 0 H3 U B 12 -3.698 2.049 10.195 1.00 0.00 H new ATOM 0 H5 U B 12 -5.468 -1.695 9.380 1.00 0.00 H new ATOM 0 H6 U B 12 -7.628 -0.616 9.399 1.00 0.00 H new ATOM 387 P G B 13 -9.367 2.629 5.260 1.00 0.00 P ATOM 388 OP1 G B 13 -10.445 3.076 4.351 1.00 0.00 O ATOM 389 OP2 G B 13 -8.458 1.540 4.841 1.00 0.00 O ATOM 390 O5' G B 13 -8.471 3.911 5.641 1.00 0.00 O ATOM 391 C5' G B 13 -9.064 5.175 5.865 1.00 0.00 C ATOM 392 C4' G B 13 -7.970 6.192 6.198 1.00 0.00 C ATOM 393 O4' G B 13 -7.250 5.812 7.365 1.00 0.00 O ATOM 394 C3' G B 13 -6.921 6.266 5.109 1.00 0.00 C ATOM 395 O3' G B 13 -7.346 7.034 3.994 1.00 0.00 O ATOM 396 C2' G B 13 -5.794 6.932 5.857 1.00 0.00 C ATOM 397 O2' G B 13 -5.984 8.331 5.868 1.00 0.00 O ATOM 398 C1' G B 13 -5.949 6.401 7.277 1.00 0.00 C ATOM 399 N9 G B 13 -4.898 5.402 7.536 1.00 0.00 N ATOM 400 C8 G B 13 -4.964 4.041 7.441 1.00 0.00 C ATOM 401 N7 G B 13 -3.840 3.434 7.711 1.00 0.00 N ATOM 402 C5 G B 13 -2.961 4.474 8.000 1.00 0.00 C ATOM 403 C6 G B 13 -1.579 4.442 8.360 1.00 0.00 C ATOM 404 O6 G B 13 -0.845 3.468 8.518 1.00 0.00 O ATOM 405 N1 G B 13 -1.072 5.719 8.537 1.00 0.00 N ATOM 406 C2 G B 13 -1.787 6.886 8.403 1.00 0.00 C ATOM 407 N2 G B 13 -1.121 8.024 8.623 1.00 0.00 N ATOM 408 N3 G B 13 -3.081 6.924 8.073 1.00 0.00 N ATOM 409 C4 G B 13 -3.602 5.684 7.886 1.00 0.00 C ATOM 0 H5' G B 13 -9.781 5.114 6.683 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.616 5.493 4.980 1.00 0.00 H new ATOM 0 H4' G B 13 -8.491 7.141 6.324 1.00 0.00 H new ATOM 0 H3' G B 13 -6.668 5.303 4.666 1.00 0.00 H new ATOM 0 H2' G B 13 -4.817 6.733 5.417 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.752 8.561 5.304 1.00 0.00 H new ATOM 0 H1' G B 13 -5.849 7.193 8.019 1.00 0.00 H new ATOM 0 H8 G B 13 -5.866 3.514 7.167 1.00 0.00 H new ATOM 0 H1 G B 13 -0.087 5.800 8.788 1.00 0.00 H new ATOM 0 H21 G B 13 -1.601 8.920 8.538 1.00 0.00 H new ATOM 0 H22 G B 13 -0.133 7.996 8.876 1.00 0.00 H new ATOM 421 P U B 14 -6.530 6.996 2.596 1.00 0.00 P ATOM 422 OP1 U B 14 -7.260 7.834 1.618 1.00 0.00 O ATOM 423 OP2 U B 14 -6.248 5.580 2.278 1.00 0.00 O ATOM 424 O5' U B 14 -5.121 7.722 2.920 1.00 0.00 O ATOM 425 C5' U B 14 -5.006 9.132 2.939 1.00 0.00 C ATOM 426 C4' U B 14 -3.539 9.535 3.171 1.00 0.00 C ATOM 427 O4' U B 14 -3.063 9.104 4.453 1.00 0.00 O ATOM 428 C3' U B 14 -2.590 8.904 2.165 1.00 0.00 C ATOM 429 O3' U B 14 -2.571 9.562 0.914 1.00 0.00 O ATOM 430 C2' U B 14 -1.283 9.082 2.890 1.00 0.00 C ATOM 431 O2' U B 14 -0.875 10.434 2.826 1.00 0.00 O ATOM 432 C1' U B 14 -1.667 8.763 4.322 1.00 0.00 C ATOM 433 N1 U B 14 -1.464 7.321 4.612 1.00 0.00 N ATOM 434 C2 U B 14 -0.239 6.936 5.141 1.00 0.00 C ATOM 435 O2 U B 14 0.680 7.732 5.318 1.00 0.00 O ATOM 436 N3 U B 14 -0.107 5.596 5.461 1.00 0.00 N ATOM 437 C4 U B 14 -1.077 4.620 5.304 1.00 0.00 C ATOM 438 O4 U B 14 -0.844 3.453 5.605 1.00 0.00 O ATOM 439 C5 U B 14 -2.326 5.114 4.767 1.00 0.00 C ATOM 440 C6 U B 14 -2.473 6.416 4.438 1.00 0.00 C ATOM 0 H5' U B 14 -5.635 9.546 3.727 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.362 9.547 1.996 1.00 0.00 H new ATOM 0 H4' U B 14 -3.542 10.621 3.080 1.00 0.00 H new ATOM 0 H3' U B 14 -2.854 7.880 1.900 1.00 0.00 H new ATOM 0 H2' U B 14 -0.475 8.473 2.485 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.390 10.899 2.134 1.00 0.00 H new ATOM 0 H1' U B 14 -1.050 9.323 5.025 1.00 0.00 H new ATOM 0 H3 U B 14 0.789 5.299 5.849 1.00 0.00 H new ATOM 0 H5 U B 14 -3.152 4.433 4.627 1.00 0.00 H new ATOM 0 H6 U B 14 -3.414 6.751 4.026 1.00 0.00 H new ATOM 451 P C B 15 -1.865 8.869 -0.367 1.00 0.00 P ATOM 452 OP1 C B 15 -1.886 9.840 -1.484 1.00 0.00 O ATOM 453 OP2 C B 15 -2.474 7.532 -0.549 1.00 0.00 O ATOM 454 O5' C B 15 -0.325 8.655 0.087 1.00 0.00 O ATOM 455 C5' C B 15 0.591 9.732 0.097 1.00 0.00 C ATOM 456 C4' C B 15 1.983 9.236 0.518 1.00 0.00 C ATOM 457 O4' C B 15 1.983 8.665 1.831 1.00 0.00 O ATOM 458 C3' C B 15 2.496 8.131 -0.380 1.00 0.00 C ATOM 459 O3' C B 15 2.950 8.615 -1.630 1.00 0.00 O ATOM 460 C2' C B 15 3.627 7.606 0.474 1.00 0.00 C ATOM 461 O2' C B 15 4.725 8.489 0.402 1.00 0.00 O ATOM 462 C1' C B 15 3.037 7.679 1.884 1.00 0.00 C ATOM 463 N1 C B 15 2.509 6.345 2.284 1.00 0.00 N ATOM 464 C2 C B 15 3.440 5.372 2.639 1.00 0.00 C ATOM 465 O2 C B 15 4.642 5.631 2.632 1.00 0.00 O ATOM 466 N3 C B 15 2.983 4.138 2.991 1.00 0.00 N ATOM 467 C4 C B 15 1.671 3.864 2.989 1.00 0.00 C ATOM 468 N4 C B 15 1.265 2.642 3.344 1.00 0.00 N ATOM 469 C5 C B 15 0.703 4.853 2.627 1.00 0.00 C ATOM 470 C6 C B 15 1.168 6.075 2.290 1.00 0.00 C ATOM 0 H5' C B 15 0.248 10.505 0.785 1.00 0.00 H new ATOM 0 H5'' C B 15 0.642 10.186 -0.893 1.00 0.00 H new ATOM 0 H4' C B 15 2.609 10.126 0.463 1.00 0.00 H new ATOM 0 H3' C B 15 1.749 7.389 -0.662 1.00 0.00 H new ATOM 0 H2' C B 15 3.972 6.615 0.178 1.00 0.00 H new ATOM 0 HO2' C B 15 5.457 8.147 0.957 1.00 0.00 H new ATOM 0 H1' C B 15 3.787 7.959 2.624 1.00 0.00 H new ATOM 0 H41 C B 15 0.270 2.416 3.348 1.00 0.00 H new ATOM 0 H42 C B 15 1.950 1.935 3.611 1.00 0.00 H new ATOM 0 H5 C B 15 -0.354 4.632 2.623 1.00 0.00 H new ATOM 0 H6 C B 15 0.469 6.853 2.020 1.00 0.00 H new ATOM 482 P C B 16 3.259 7.598 -2.845 1.00 0.00 P ATOM 483 OP1 C B 16 3.721 8.392 -4.006 1.00 0.00 O ATOM 484 OP2 C B 16 2.095 6.697 -2.991 1.00 0.00 O ATOM 485 O5' C B 16 4.501 6.720 -2.316 1.00 0.00 O ATOM 486 C5' C B 16 5.814 7.241 -2.310 1.00 0.00 C ATOM 487 C4' C B 16 6.782 6.160 -1.819 1.00 0.00 C ATOM 488 O4' C B 16 6.490 5.761 -0.487 1.00 0.00 O ATOM 489 C3' C B 16 6.665 4.887 -2.625 1.00 0.00 C ATOM 490 O3' C B 16 7.291 4.977 -3.887 1.00 0.00 O ATOM 491 C2' C B 16 7.346 3.904 -1.722 1.00 0.00 C ATOM 492 O2' C B 16 8.750 4.027 -1.834 1.00 0.00 O ATOM 493 C1' C B 16 6.897 4.388 -0.347 1.00 0.00 C ATOM 494 N1 C B 16 5.760 3.549 0.098 1.00 0.00 N ATOM 495 C2 C B 16 6.057 2.344 0.729 1.00 0.00 C ATOM 496 O2 C B 16 7.223 2.042 0.974 1.00 0.00 O ATOM 497 N3 C B 16 5.026 1.517 1.058 1.00 0.00 N ATOM 498 C4 C B 16 3.761 1.849 0.769 1.00 0.00 C ATOM 499 N4 C B 16 2.778 1.009 1.111 1.00 0.00 N ATOM 500 C5 C B 16 3.446 3.075 0.099 1.00 0.00 C ATOM 501 C6 C B 16 4.475 3.887 -0.210 1.00 0.00 C ATOM 0 H5' C B 16 5.868 8.116 -1.662 1.00 0.00 H new ATOM 0 H5'' C B 16 6.093 7.568 -3.312 1.00 0.00 H new ATOM 0 H4' C B 16 7.770 6.611 -1.909 1.00 0.00 H new ATOM 0 H3' C B 16 5.638 4.624 -2.880 1.00 0.00 H new ATOM 0 H2' C B 16 7.106 2.863 -1.938 1.00 0.00 H new ATOM 0 HO2' C B 16 8.978 4.370 -2.723 1.00 0.00 H new ATOM 0 HO3' C B 16 7.187 4.128 -4.365 1.00 0.00 H new ATOM 0 H1' C B 16 7.696 4.313 0.391 1.00 0.00 H new ATOM 0 H41 C B 16 1.809 1.245 0.899 1.00 0.00 H new ATOM 0 H42 C B 16 2.998 0.132 1.584 1.00 0.00 H new ATOM 0 H5 C B 16 2.428 3.337 -0.148 1.00 0.00 H new ATOM 0 H6 C B 16 4.279 4.823 -0.711 1.00 0.00 H new TER 514 C B 16