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 -19:sc= 0.0798 USER MOD Single : A 1 G O5' : rot 180:sc= -0.0106 USER MOD Single : A 2 G O2' : rot 180:sc= -0.486 USER MOD Single : A 3 A O2' : rot -13:sc= -0.922 USER MOD Single : A 4 G O2' : rot -15:sc= -0.634 USER MOD Single : A 5 U O2' : rot -6:sc= 0.136 USER MOD Single : A 6 U O2' : rot -17:sc= -0.379 USER MOD Single : A 7 C O2' : rot -12:sc= -0.428 USER MOD Single : A 8 C O2' : rot -28:sc= 0.213 USER MOD Single : A 8 C O3' : rot 180:sc= 0.204 USER MOD Single : B 9 G O2' : rot -18:sc= 0.0648 USER MOD Single : B 9 G O5' : rot 180:sc=-0.00153 USER MOD Single : B 10 G O2' : rot -26:sc= 0.0112 USER MOD Single : B 11 A O2' : rot -11:sc= -0.927 USER MOD Single : B 12 G O2' : rot -25:sc= -0.606 USER MOD Single : B 13 U O2' : rot -7:sc= 0.141 USER MOD Single : B 14 U O2' : rot -14:sc= -0.491 USER MOD Single : B 15 C O2' : rot -17:sc= 0.0643 USER MOD Single : B 16 C O2' : rot -22:sc= 0.201 USER MOD Single : B 16 C O3' : rot 180:sc= 0.242 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 4.446 -7.952 4.624 1.00 0.00 O ATOM 2 C5' G A 1 5.767 -8.397 4.402 1.00 0.00 C ATOM 3 C4' G A 1 6.630 -7.241 3.891 1.00 0.00 C ATOM 4 O4' G A 1 6.152 -6.744 2.640 1.00 0.00 O ATOM 5 C3' G A 1 6.615 -6.044 4.821 1.00 0.00 C ATOM 6 O3' G A 1 7.440 -6.215 5.958 1.00 0.00 O ATOM 7 C2' G A 1 7.157 -4.997 3.888 1.00 0.00 C ATOM 8 O2' G A 1 8.539 -5.207 3.695 1.00 0.00 O ATOM 9 C1' G A 1 6.436 -5.335 2.592 1.00 0.00 C ATOM 10 N9 G A 1 5.177 -4.569 2.498 1.00 0.00 N ATOM 11 C8 G A 1 3.893 -4.979 2.752 1.00 0.00 C ATOM 12 N7 G A 1 2.992 -4.058 2.551 1.00 0.00 N ATOM 13 C5 G A 1 3.731 -2.954 2.134 1.00 0.00 C ATOM 14 C6 G A 1 3.296 -1.648 1.764 1.00 0.00 C ATOM 15 O6 G A 1 2.149 -1.207 1.731 1.00 0.00 O ATOM 16 N1 G A 1 4.365 -0.834 1.406 1.00 0.00 N ATOM 17 C2 G A 1 5.688 -1.222 1.404 1.00 0.00 C ATOM 18 N2 G A 1 6.586 -0.300 1.042 1.00 0.00 N ATOM 19 N3 G A 1 6.099 -2.448 1.746 1.00 0.00 N ATOM 20 C4 G A 1 5.070 -3.259 2.100 1.00 0.00 C ATOM 0 H5' G A 1 5.768 -9.211 3.677 1.00 0.00 H new ATOM 0 H5'' G A 1 6.186 -8.793 5.327 1.00 0.00 H new ATOM 0 H4' G A 1 7.632 -7.663 3.812 1.00 0.00 H new ATOM 0 H3' G A 1 5.642 -5.825 5.261 1.00 0.00 H new ATOM 0 H2' G A 1 7.018 -3.975 4.241 1.00 0.00 H new ATOM 0 HO2' G A 1 8.889 -5.765 4.420 1.00 0.00 H new ATOM 0 HO5' G A 1 3.900 -8.698 4.949 1.00 0.00 H new ATOM 0 H1' G A 1 7.045 -5.083 1.724 1.00 0.00 H new ATOM 0 H8 G A 1 3.650 -5.976 3.089 1.00 0.00 H new ATOM 0 H1 G A 1 4.154 0.123 1.123 1.00 0.00 H new ATOM 0 H21 G A 1 7.579 -0.534 1.023 1.00 0.00 H new ATOM 0 H22 G A 1 6.279 0.638 0.785 1.00 0.00 H new ATOM 33 P G A 2 7.340 -5.194 7.210 1.00 0.00 P ATOM 34 OP1 G A 2 8.280 -5.658 8.254 1.00 0.00 O ATOM 35 OP2 G A 2 5.908 -5.022 7.538 1.00 0.00 O ATOM 36 O5' G A 2 7.892 -3.789 6.629 1.00 0.00 O ATOM 37 C5' G A 2 9.279 -3.548 6.500 1.00 0.00 C ATOM 38 C4' G A 2 9.523 -2.108 6.036 1.00 0.00 C ATOM 39 O4' G A 2 8.943 -1.830 4.760 1.00 0.00 O ATOM 40 C3' G A 2 8.928 -1.084 6.978 1.00 0.00 C ATOM 41 O3' G A 2 9.691 -0.908 8.155 1.00 0.00 O ATOM 42 C2' G A 2 8.974 0.126 6.089 1.00 0.00 C ATOM 43 O2' G A 2 10.308 0.567 5.938 1.00 0.00 O ATOM 44 C1' G A 2 8.502 -0.458 4.774 1.00 0.00 C ATOM 45 N9 G A 2 7.033 -0.428 4.681 1.00 0.00 N ATOM 46 C8 G A 2 6.153 -1.454 4.870 1.00 0.00 C ATOM 47 N7 G A 2 4.905 -1.130 4.669 1.00 0.00 N ATOM 48 C5 G A 2 4.964 0.215 4.312 1.00 0.00 C ATOM 49 C6 G A 2 3.917 1.116 3.956 1.00 0.00 C ATOM 50 O6 G A 2 2.709 0.896 3.896 1.00 0.00 O ATOM 51 N1 G A 2 4.410 2.379 3.649 1.00 0.00 N ATOM 52 C2 G A 2 5.741 2.736 3.673 1.00 0.00 C ATOM 53 N2 G A 2 6.030 4.001 3.349 1.00 0.00 N ATOM 54 N3 G A 2 6.728 1.893 4.002 1.00 0.00 N ATOM 55 C4 G A 2 6.267 0.653 4.310 1.00 0.00 C ATOM 0 H5' G A 2 9.712 -4.247 5.785 1.00 0.00 H new ATOM 0 H5'' G A 2 9.776 -3.720 7.455 1.00 0.00 H new ATOM 0 H4' G A 2 10.610 -2.030 5.999 1.00 0.00 H new ATOM 0 H3' G A 2 7.944 -1.343 7.368 1.00 0.00 H new ATOM 0 H2' G A 2 8.395 0.972 6.458 1.00 0.00 H new ATOM 0 HO2' G A 2 10.328 1.355 5.356 1.00 0.00 H new ATOM 0 H1' G A 2 8.902 0.116 3.938 1.00 0.00 H new ATOM 0 H8 G A 2 6.462 -2.447 5.160 1.00 0.00 H new ATOM 0 H1 G A 2 3.735 3.097 3.386 1.00 0.00 H new ATOM 0 H21 G A 2 6.999 4.319 3.350 1.00 0.00 H new ATOM 0 H22 G A 2 5.281 4.648 3.101 1.00 0.00 H new ATOM 67 P A A 3 9.078 -0.117 9.423 1.00 0.00 P ATOM 68 OP1 A A 3 10.135 -0.009 10.453 1.00 0.00 O ATOM 69 OP2 A A 3 7.782 -0.742 9.765 1.00 0.00 O ATOM 70 O5' A A 3 8.781 1.363 8.853 1.00 0.00 O ATOM 71 C5' A A 3 9.830 2.274 8.610 1.00 0.00 C ATOM 72 C4' A A 3 9.255 3.602 8.108 1.00 0.00 C ATOM 73 O4' A A 3 8.541 3.459 6.886 1.00 0.00 O ATOM 74 C3' A A 3 8.284 4.217 9.094 1.00 0.00 C ATOM 75 O3' A A 3 8.955 4.876 10.150 1.00 0.00 O ATOM 76 C2' A A 3 7.559 5.192 8.197 1.00 0.00 C ATOM 77 O2' A A 3 8.383 6.312 7.945 1.00 0.00 O ATOM 78 C1' A A 3 7.450 4.394 6.894 1.00 0.00 C ATOM 79 N9 A A 3 6.198 3.633 6.865 1.00 0.00 N ATOM 80 C8 A A 3 6.018 2.299 7.086 1.00 0.00 C ATOM 81 N7 A A 3 4.782 1.902 6.963 1.00 0.00 N ATOM 82 C5 A A 3 4.097 3.064 6.622 1.00 0.00 C ATOM 83 C6 A A 3 2.747 3.323 6.330 1.00 0.00 C ATOM 84 N6 A A 3 1.797 2.383 6.359 1.00 0.00 N ATOM 85 N1 A A 3 2.412 4.585 5.999 1.00 0.00 N ATOM 86 C2 A A 3 3.358 5.519 5.966 1.00 0.00 C ATOM 87 N3 A A 3 4.653 5.402 6.222 1.00 0.00 N ATOM 88 C4 A A 3 4.957 4.124 6.550 1.00 0.00 C ATOM 0 H5' A A 3 10.518 1.862 7.872 1.00 0.00 H new ATOM 0 H5'' A A 3 10.402 2.437 9.523 1.00 0.00 H new ATOM 0 H4' A A 3 10.128 4.240 7.972 1.00 0.00 H new ATOM 0 H3' A A 3 7.638 3.500 9.600 1.00 0.00 H new ATOM 0 H2' A A 3 6.615 5.548 8.611 1.00 0.00 H new ATOM 0 HO2' A A 3 9.143 6.305 8.563 1.00 0.00 H new ATOM 0 H1' A A 3 7.475 5.068 6.037 1.00 0.00 H new ATOM 0 H8 A A 3 6.827 1.631 7.340 1.00 0.00 H new ATOM 0 H61 A A 3 0.832 2.627 6.138 1.00 0.00 H new ATOM 0 H62 A A 3 2.038 1.422 6.602 1.00 0.00 H new ATOM 0 H2 A A 3 3.025 6.509 5.693 1.00 0.00 H new ATOM 100 P G A 4 8.177 5.271 11.504 1.00 0.00 P ATOM 101 OP1 G A 4 9.092 6.076 12.343 1.00 0.00 O ATOM 102 OP2 G A 4 7.568 4.040 12.053 1.00 0.00 O ATOM 103 O5' G A 4 6.988 6.229 10.997 1.00 0.00 O ATOM 104 C5' G A 4 7.239 7.556 10.583 1.00 0.00 C ATOM 105 C4' G A 4 5.929 8.216 10.219 1.00 0.00 C ATOM 106 O4' G A 4 5.330 7.578 9.106 1.00 0.00 O ATOM 107 C3' G A 4 4.922 8.100 11.316 1.00 0.00 C ATOM 108 O3' G A 4 5.190 8.991 12.384 1.00 0.00 O ATOM 109 C2' G A 4 3.697 8.497 10.540 1.00 0.00 C ATOM 110 O2' G A 4 3.699 9.891 10.297 1.00 0.00 O ATOM 111 C1' G A 4 3.925 7.777 9.222 1.00 0.00 C ATOM 112 N9 G A 4 3.216 6.482 9.195 1.00 0.00 N ATOM 113 C8 G A 4 3.716 5.218 9.366 1.00 0.00 C ATOM 114 N7 G A 4 2.823 4.273 9.238 1.00 0.00 N ATOM 115 C5 G A 4 1.643 4.963 8.964 1.00 0.00 C ATOM 116 C6 G A 4 0.321 4.474 8.723 1.00 0.00 C ATOM 117 O6 G A 4 -0.080 3.310 8.692 1.00 0.00 O ATOM 118 N1 G A 4 -0.571 5.513 8.507 1.00 0.00 N ATOM 119 C2 G A 4 -0.249 6.850 8.501 1.00 0.00 C ATOM 120 N2 G A 4 -1.250 7.705 8.266 1.00 0.00 N ATOM 121 N3 G A 4 0.985 7.313 8.714 1.00 0.00 N ATOM 122 C4 G A 4 1.877 6.317 8.941 1.00 0.00 C ATOM 0 H5' G A 4 7.914 7.562 9.727 1.00 0.00 H new ATOM 0 H5'' G A 4 7.731 8.112 11.381 1.00 0.00 H new ATOM 0 H4' G A 4 6.178 9.257 10.015 1.00 0.00 H new ATOM 0 H3' G A 4 4.873 7.131 11.812 1.00 0.00 H new ATOM 0 H2' G A 4 2.762 8.258 11.046 1.00 0.00 H new ATOM 0 HO2' G A 4 4.353 10.324 10.884 1.00 0.00 H new ATOM 0 H1' G A 4 3.539 8.365 8.390 1.00 0.00 H new ATOM 0 H8 G A 4 4.755 5.021 9.587 1.00 0.00 H new ATOM 0 H1 G A 4 -1.546 5.266 8.339 1.00 0.00 H new ATOM 0 H21 G A 4 -1.070 8.709 8.250 1.00 0.00 H new ATOM 0 H22 G A 4 -2.193 7.353 8.103 1.00 0.00 H new ATOM 134 P U A 5 4.482 8.801 13.820 1.00 0.00 P ATOM 135 OP1 U A 5 4.781 9.993 14.644 1.00 0.00 O ATOM 136 OP2 U A 5 4.831 7.455 14.323 1.00 0.00 O ATOM 137 O5' U A 5 2.912 8.808 13.475 1.00 0.00 O ATOM 138 C5' U A 5 2.235 9.999 13.135 1.00 0.00 C ATOM 139 C4' U A 5 0.774 9.661 12.829 1.00 0.00 C ATOM 140 O4' U A 5 0.660 8.748 11.741 1.00 0.00 O ATOM 141 C3' U A 5 0.115 8.983 14.015 1.00 0.00 C ATOM 142 O3' U A 5 -0.362 9.915 14.977 1.00 0.00 O ATOM 143 C2' U A 5 -1.000 8.232 13.364 1.00 0.00 C ATOM 144 O2' U A 5 -2.105 9.089 13.165 1.00 0.00 O ATOM 145 C1' U A 5 -0.422 7.849 12.016 1.00 0.00 C ATOM 146 N1 U A 5 0.063 6.450 12.005 1.00 0.00 N ATOM 147 C2 U A 5 -0.861 5.456 11.722 1.00 0.00 C ATOM 148 O2 U A 5 -2.046 5.710 11.519 1.00 0.00 O ATOM 149 N3 U A 5 -0.375 4.157 11.677 1.00 0.00 N ATOM 150 C4 U A 5 0.952 3.784 11.853 1.00 0.00 C ATOM 151 O4 U A 5 1.283 2.603 11.802 1.00 0.00 O ATOM 152 C5 U A 5 1.851 4.900 12.082 1.00 0.00 C ATOM 153 C6 U A 5 1.389 6.160 12.152 1.00 0.00 C ATOM 0 H5' U A 5 2.704 10.467 12.269 1.00 0.00 H new ATOM 0 H5'' U A 5 2.294 10.715 13.955 1.00 0.00 H new ATOM 0 H4' U A 5 0.293 10.609 12.590 1.00 0.00 H new ATOM 0 H3' U A 5 0.797 8.352 14.585 1.00 0.00 H new ATOM 0 H2' U A 5 -1.343 7.382 13.954 1.00 0.00 H new ATOM 0 HO2' U A 5 -1.923 9.958 13.579 1.00 0.00 H new ATOM 0 H1' U A 5 -1.197 7.921 11.253 1.00 0.00 H new ATOM 0 H3 U A 5 -1.049 3.413 11.500 1.00 0.00 H new ATOM 0 H5 U A 5 2.909 4.715 12.198 1.00 0.00 H new ATOM 0 H6 U A 5 2.086 6.966 12.329 1.00 0.00 H new ATOM 164 P U A 6 -0.930 9.420 16.412 1.00 0.00 P ATOM 165 OP1 U A 6 -1.088 10.612 17.275 1.00 0.00 O ATOM 166 OP2 U A 6 -0.081 8.297 16.868 1.00 0.00 O ATOM 167 O5' U A 6 -2.409 8.832 16.100 1.00 0.00 O ATOM 168 C5' U A 6 -3.535 9.689 15.973 1.00 0.00 C ATOM 169 C4' U A 6 -4.820 8.849 15.841 1.00 0.00 C ATOM 170 O4' U A 6 -4.834 8.094 14.635 1.00 0.00 O ATOM 171 C3' U A 6 -4.962 7.832 16.962 1.00 0.00 C ATOM 172 O3' U A 6 -5.464 8.392 18.160 1.00 0.00 O ATOM 173 C2' U A 6 -5.962 6.900 16.340 1.00 0.00 C ATOM 174 O2' U A 6 -7.247 7.483 16.377 1.00 0.00 O ATOM 175 C1' U A 6 -5.500 6.851 14.901 1.00 0.00 C ATOM 176 N1 U A 6 -4.561 5.732 14.688 1.00 0.00 N ATOM 177 C2 U A 6 -5.082 4.471 14.447 1.00 0.00 C ATOM 178 O2 U A 6 -6.288 4.238 14.487 1.00 0.00 O ATOM 179 N3 U A 6 -4.160 3.480 14.149 1.00 0.00 N ATOM 180 C4 U A 6 -2.786 3.645 14.061 1.00 0.00 C ATOM 181 O4 U A 6 -2.057 2.697 13.785 1.00 0.00 O ATOM 182 C5 U A 6 -2.341 4.995 14.319 1.00 0.00 C ATOM 183 C6 U A 6 -3.226 5.966 14.623 1.00 0.00 C ATOM 0 H5' U A 6 -3.418 10.331 15.100 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.605 10.343 16.842 1.00 0.00 H new ATOM 0 H4' U A 6 -5.632 9.576 15.868 1.00 0.00 H new ATOM 0 H3' U A 6 -4.019 7.380 17.272 1.00 0.00 H new ATOM 0 H2' U A 6 -6.021 5.931 16.835 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.252 8.223 17.019 1.00 0.00 H new ATOM 0 H1' U A 6 -6.350 6.701 14.236 1.00 0.00 H new ATOM 0 H3 U A 6 -4.526 2.543 13.979 1.00 0.00 H new ATOM 0 H5 U A 6 -1.288 5.229 14.268 1.00 0.00 H new ATOM 0 H6 U A 6 -2.860 6.963 14.821 1.00 0.00 H new ATOM 194 P C A 7 -5.415 7.557 19.544 1.00 0.00 P ATOM 195 OP1 C A 7 -6.118 8.344 20.580 1.00 0.00 O ATOM 196 OP2 C A 7 -4.013 7.140 19.767 1.00 0.00 O ATOM 197 O5' C A 7 -6.286 6.225 19.245 1.00 0.00 O ATOM 198 C5' C A 7 -7.701 6.248 19.264 1.00 0.00 C ATOM 199 C4' C A 7 -8.241 4.826 19.052 1.00 0.00 C ATOM 200 O4' C A 7 -7.863 4.286 17.780 1.00 0.00 O ATOM 201 C3' C A 7 -7.687 3.857 20.075 1.00 0.00 C ATOM 202 O3' C A 7 -8.339 3.958 21.328 1.00 0.00 O ATOM 203 C2' C A 7 -7.993 2.551 19.389 1.00 0.00 C ATOM 204 O2' C A 7 -9.370 2.264 19.508 1.00 0.00 O ATOM 205 C1' C A 7 -7.696 2.861 17.934 1.00 0.00 C ATOM 206 N1 C A 7 -6.314 2.455 17.573 1.00 0.00 N ATOM 207 C2 C A 7 -6.101 1.123 17.229 1.00 0.00 C ATOM 208 O2 C A 7 -7.023 0.312 17.281 1.00 0.00 O ATOM 209 N3 C A 7 -4.851 0.750 16.834 1.00 0.00 N ATOM 210 C4 C A 7 -3.852 1.643 16.777 1.00 0.00 C ATOM 211 N4 C A 7 -2.644 1.236 16.375 1.00 0.00 N ATOM 212 C5 C A 7 -4.060 3.018 17.129 1.00 0.00 C ATOM 213 C6 C A 7 -5.302 3.368 17.515 1.00 0.00 C ATOM 0 H5' C A 7 -8.075 6.910 18.483 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.056 6.645 20.215 1.00 0.00 H new ATOM 0 H4' C A 7 -9.323 4.926 19.134 1.00 0.00 H new ATOM 0 H3' C A 7 -6.638 4.015 20.326 1.00 0.00 H new ATOM 0 H2' C A 7 -7.433 1.709 19.796 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.775 2.868 20.165 1.00 0.00 H new ATOM 0 H1' C A 7 -8.366 2.309 17.275 1.00 0.00 H new ATOM 0 H41 C A 7 -1.872 1.901 16.325 1.00 0.00 H new ATOM 0 H42 C A 7 -2.494 0.260 16.118 1.00 0.00 H new ATOM 0 H5 C A 7 -3.257 3.739 17.086 1.00 0.00 H new ATOM 0 H6 C A 7 -5.501 4.395 17.785 1.00 0.00 H new ATOM 225 P C A 8 -7.735 3.223 22.633 1.00 0.00 P ATOM 226 OP1 C A 8 -8.677 3.428 23.756 1.00 0.00 O ATOM 227 OP2 C A 8 -6.323 3.637 22.776 1.00 0.00 O ATOM 228 O5' C A 8 -7.756 1.660 22.241 1.00 0.00 O ATOM 229 C5' C A 8 -8.953 0.910 22.276 1.00 0.00 C ATOM 230 C4' C A 8 -8.655 -0.522 21.824 1.00 0.00 C ATOM 231 O4' C A 8 -8.130 -0.555 20.499 1.00 0.00 O ATOM 232 C3' C A 8 -7.589 -1.167 22.680 1.00 0.00 C ATOM 233 O3' C A 8 -8.098 -1.640 23.908 1.00 0.00 O ATOM 234 C2' C A 8 -7.160 -2.304 21.791 1.00 0.00 C ATOM 235 O2' C A 8 -8.061 -3.383 21.934 1.00 0.00 O ATOM 236 C1' C A 8 -7.289 -1.715 20.387 1.00 0.00 C ATOM 237 N1 C A 8 -5.934 -1.339 19.914 1.00 0.00 N ATOM 238 C2 C A 8 -5.147 -2.334 19.344 1.00 0.00 C ATOM 239 O2 C A 8 -5.598 -3.465 19.180 1.00 0.00 O ATOM 240 N3 C A 8 -3.870 -2.018 18.983 1.00 0.00 N ATOM 241 C4 C A 8 -3.384 -0.784 19.181 1.00 0.00 C ATOM 242 N4 C A 8 -2.128 -0.516 18.811 1.00 0.00 N ATOM 243 C5 C A 8 -4.179 0.241 19.788 1.00 0.00 C ATOM 244 C6 C A 8 -5.441 -0.089 20.133 1.00 0.00 C ATOM 0 H5' C A 8 -9.701 1.363 21.625 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.367 0.908 23.284 1.00 0.00 H new ATOM 0 H4' C A 8 -9.607 -1.048 21.898 1.00 0.00 H new ATOM 0 H3' C A 8 -6.789 -0.487 22.973 1.00 0.00 H new ATOM 0 H2' C A 8 -6.161 -2.678 22.016 1.00 0.00 H new ATOM 0 HO2' C A 8 -8.463 -3.358 22.828 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.374 -2.050 24.426 1.00 0.00 H new ATOM 0 H1' C A 8 -7.721 -2.421 19.678 1.00 0.00 H new ATOM 0 H41 C A 8 -1.742 0.417 18.954 1.00 0.00 H new ATOM 0 H42 C A 8 -1.555 -1.245 18.385 1.00 0.00 H new ATOM 0 H5 C A 8 -3.787 1.232 19.962 1.00 0.00 H new ATOM 0 H6 C A 8 -6.074 0.655 20.593 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.775 -8.221 14.809 1.00 0.00 O ATOM 259 C5' G B 9 3.356 -9.552 15.022 1.00 0.00 C ATOM 260 C4' G B 9 1.927 -9.568 15.570 1.00 0.00 C ATOM 261 O4' G B 9 1.843 -8.907 16.834 1.00 0.00 O ATOM 262 C3' G B 9 0.948 -8.834 14.676 1.00 0.00 C ATOM 263 O3' G B 9 0.568 -9.583 13.537 1.00 0.00 O ATOM 264 C2' G B 9 -0.192 -8.664 15.643 1.00 0.00 C ATOM 265 O2' G B 9 -0.833 -9.905 15.838 1.00 0.00 O ATOM 266 C1' G B 9 0.543 -8.298 16.923 1.00 0.00 C ATOM 267 N9 G B 9 0.680 -6.830 17.027 1.00 0.00 N ATOM 268 C8 G B 9 1.769 -6.042 16.754 1.00 0.00 C ATOM 269 N7 G B 9 1.570 -4.771 16.969 1.00 0.00 N ATOM 270 C5 G B 9 0.254 -4.710 17.415 1.00 0.00 C ATOM 271 C6 G B 9 -0.527 -3.584 17.811 1.00 0.00 C ATOM 272 O6 G B 9 -0.196 -2.402 17.843 1.00 0.00 O ATOM 273 N1 G B 9 -1.810 -3.960 18.196 1.00 0.00 N ATOM 274 C2 G B 9 -2.286 -5.254 18.200 1.00 0.00 C ATOM 275 N2 G B 9 -3.554 -5.427 18.589 1.00 0.00 N ATOM 276 N3 G B 9 -1.556 -6.312 17.834 1.00 0.00 N ATOM 277 C4 G B 9 -0.299 -5.967 17.454 1.00 0.00 C ATOM 0 H5' G B 9 4.029 -10.046 15.723 1.00 0.00 H new ATOM 0 H5'' G B 9 3.402 -10.111 14.087 1.00 0.00 H new ATOM 0 H4' G B 9 1.674 -10.626 15.640 1.00 0.00 H new ATOM 0 H3' G B 9 1.336 -7.914 14.239 1.00 0.00 H new ATOM 0 H2' G B 9 -0.944 -7.944 15.320 1.00 0.00 H new ATOM 0 HO2' G B 9 -0.597 -10.513 15.107 1.00 0.00 H new ATOM 0 HO5' G B 9 4.691 -8.218 14.460 1.00 0.00 H new ATOM 0 H1' G B 9 0.001 -8.645 17.803 1.00 0.00 H new ATOM 0 H8 G B 9 2.707 -6.438 16.393 1.00 0.00 H new ATOM 0 H1 G B 9 -2.447 -3.223 18.498 1.00 0.00 H new ATOM 0 H21 G B 9 -3.957 -6.364 18.611 1.00 0.00 H new ATOM 0 H22 G B 9 -4.117 -4.622 18.864 1.00 0.00 H new ATOM 290 P G B 10 -0.229 -8.880 12.315 1.00 0.00 P ATOM 291 OP1 G B 10 -0.432 -9.895 11.258 1.00 0.00 O ATOM 292 OP2 G B 10 0.466 -7.615 11.992 1.00 0.00 O ATOM 293 O5' G B 10 -1.675 -8.510 12.937 1.00 0.00 O ATOM 294 C5' G B 10 -2.678 -9.495 13.086 1.00 0.00 C ATOM 295 C4' G B 10 -3.973 -8.858 13.601 1.00 0.00 C ATOM 296 O4' G B 10 -3.814 -8.234 14.877 1.00 0.00 O ATOM 297 C3' G B 10 -4.496 -7.772 12.688 1.00 0.00 C ATOM 298 O3' G B 10 -5.134 -8.281 11.532 1.00 0.00 O ATOM 299 C2' G B 10 -5.474 -7.118 13.620 1.00 0.00 C ATOM 300 O2' G B 10 -6.585 -7.969 13.817 1.00 0.00 O ATOM 301 C1' G B 10 -4.669 -7.074 14.903 1.00 0.00 C ATOM 302 N9 G B 10 -3.830 -5.866 14.968 1.00 0.00 N ATOM 303 C8 G B 10 -2.487 -5.759 14.746 1.00 0.00 C ATOM 304 N7 G B 10 -2.007 -4.563 14.946 1.00 0.00 N ATOM 305 C5 G B 10 -3.118 -3.820 15.337 1.00 0.00 C ATOM 306 C6 G B 10 -3.217 -2.447 15.711 1.00 0.00 C ATOM 307 O6 G B 10 -2.324 -1.604 15.763 1.00 0.00 O ATOM 308 N1 G B 10 -4.521 -2.100 16.047 1.00 0.00 N ATOM 309 C2 G B 10 -5.596 -2.963 16.038 1.00 0.00 C ATOM 310 N2 G B 10 -6.781 -2.451 16.390 1.00 0.00 N ATOM 311 N3 G B 10 -5.506 -4.254 15.697 1.00 0.00 N ATOM 312 C4 G B 10 -4.241 -4.612 15.357 1.00 0.00 C ATOM 0 H5' G B 10 -2.342 -10.265 13.781 1.00 0.00 H new ATOM 0 H5'' G B 10 -2.861 -9.986 12.130 1.00 0.00 H new ATOM 0 H4' G B 10 -4.666 -9.697 13.655 1.00 0.00 H new ATOM 0 H3' G B 10 -3.727 -7.120 12.274 1.00 0.00 H new ATOM 0 H2' G B 10 -5.852 -6.157 13.272 1.00 0.00 H new ATOM 0 HO2' G B 10 -6.689 -8.556 13.039 1.00 0.00 H new ATOM 0 H1' G B 10 -5.334 -7.060 15.767 1.00 0.00 H new ATOM 0 H8 G B 10 -1.876 -6.592 14.432 1.00 0.00 H new ATOM 0 H1 G B 10 -4.695 -1.133 16.321 1.00 0.00 H new ATOM 0 H21 G B 10 -7.610 -3.045 16.401 1.00 0.00 H new ATOM 0 H22 G B 10 -6.855 -1.467 16.648 1.00 0.00 H new ATOM 324 P A B 11 -5.434 -7.321 10.265 1.00 0.00 P ATOM 325 OP1 A B 11 -6.190 -8.106 9.264 1.00 0.00 O ATOM 326 OP2 A B 11 -4.164 -6.670 9.879 1.00 0.00 O ATOM 327 O5' A B 11 -6.416 -6.184 10.857 1.00 0.00 O ATOM 328 C5' A B 11 -7.781 -6.451 11.097 1.00 0.00 C ATOM 329 C4' A B 11 -8.471 -5.187 11.615 1.00 0.00 C ATOM 330 O4' A B 11 -7.905 -4.720 12.833 1.00 0.00 O ATOM 331 C3' A B 11 -8.376 -4.038 10.635 1.00 0.00 C ATOM 332 O3' A B 11 -9.324 -4.161 9.593 1.00 0.00 O ATOM 333 C2' A B 11 -8.688 -2.872 11.544 1.00 0.00 C ATOM 334 O2' A B 11 -10.075 -2.836 11.812 1.00 0.00 O ATOM 335 C1' A B 11 -7.975 -3.286 12.836 1.00 0.00 C ATOM 336 N9 A B 11 -6.606 -2.763 12.852 1.00 0.00 N ATOM 337 C8 A B 11 -5.444 -3.440 12.624 1.00 0.00 C ATOM 338 N7 A B 11 -4.372 -2.704 12.728 1.00 0.00 N ATOM 339 C5 A B 11 -4.868 -1.448 13.068 1.00 0.00 C ATOM 340 C6 A B 11 -4.245 -0.219 13.346 1.00 0.00 C ATOM 341 N6 A B 11 -2.921 -0.040 13.297 1.00 0.00 N ATOM 342 N1 A B 11 -5.034 0.818 13.685 1.00 0.00 N ATOM 343 C2 A B 11 -6.351 0.639 13.737 1.00 0.00 C ATOM 344 N3 A B 11 -7.054 -0.458 13.493 1.00 0.00 N ATOM 345 C4 A B 11 -6.232 -1.481 13.158 1.00 0.00 C ATOM 0 H5' A B 11 -7.881 -7.256 11.825 1.00 0.00 H new ATOM 0 H5'' A B 11 -8.262 -6.789 10.179 1.00 0.00 H new ATOM 0 H4' A B 11 -9.509 -5.485 11.763 1.00 0.00 H new ATOM 0 H3' A B 11 -7.421 -3.962 10.114 1.00 0.00 H new ATOM 0 H2' A B 11 -8.393 -1.906 11.134 1.00 0.00 H new ATOM 0 HO2' A B 11 -10.539 -3.462 11.218 1.00 0.00 H new ATOM 0 H1' A B 11 -8.512 -2.900 13.702 1.00 0.00 H new ATOM 0 H8 A B 11 -5.414 -4.491 12.379 1.00 0.00 H new ATOM 0 H61 A B 11 -2.522 0.875 13.509 1.00 0.00 H new ATOM 0 H62 A B 11 -2.310 -0.818 13.048 1.00 0.00 H new ATOM 0 H2 A B 11 -6.928 1.508 14.017 1.00 0.00 H new ATOM 357 P G B 12 -9.179 -3.303 8.239 1.00 0.00 P ATOM 358 OP1 G B 12 -10.389 -3.530 7.418 1.00 0.00 O ATOM 359 OP2 G B 12 -7.842 -3.580 7.668 1.00 0.00 O ATOM 360 O5' G B 12 -9.195 -1.778 8.746 1.00 0.00 O ATOM 361 C5' G B 12 -10.389 -1.159 9.178 1.00 0.00 C ATOM 362 C4' G B 12 -10.095 0.281 9.531 1.00 0.00 C ATOM 363 O4' G B 12 -9.212 0.363 10.635 1.00 0.00 O ATOM 364 C3' G B 12 -9.390 0.993 8.425 1.00 0.00 C ATOM 365 O3' G B 12 -10.261 1.316 7.354 1.00 0.00 O ATOM 366 C2' G B 12 -8.960 2.210 9.194 1.00 0.00 C ATOM 367 O2' G B 12 -10.079 3.034 9.449 1.00 0.00 O ATOM 368 C1' G B 12 -8.511 1.594 10.508 1.00 0.00 C ATOM 369 N9 G B 12 -7.054 1.361 10.515 1.00 0.00 N ATOM 370 C8 G B 12 -6.364 0.190 10.343 1.00 0.00 C ATOM 371 N7 G B 12 -5.069 0.317 10.455 1.00 0.00 N ATOM 372 C5 G B 12 -4.887 1.674 10.717 1.00 0.00 C ATOM 373 C6 G B 12 -3.687 2.421 10.937 1.00 0.00 C ATOM 374 O6 G B 12 -2.522 2.025 10.958 1.00 0.00 O ATOM 375 N1 G B 12 -3.959 3.764 11.143 1.00 0.00 N ATOM 376 C2 G B 12 -5.212 4.330 11.160 1.00 0.00 C ATOM 377 N2 G B 12 -5.270 5.647 11.383 1.00 0.00 N ATOM 378 N3 G B 12 -6.337 3.637 10.968 1.00 0.00 N ATOM 379 C4 G B 12 -6.100 2.319 10.749 1.00 0.00 C ATOM 0 H5' G B 12 -10.794 -1.684 10.043 1.00 0.00 H new ATOM 0 H5'' G B 12 -11.144 -1.208 8.393 1.00 0.00 H new ATOM 0 H4' G B 12 -11.065 0.731 9.741 1.00 0.00 H new ATOM 0 H3' G B 12 -8.594 0.436 7.931 1.00 0.00 H new ATOM 0 H2' G B 12 -8.211 2.815 8.683 1.00 0.00 H new ATOM 0 HO2' G B 12 -10.769 2.868 8.773 1.00 0.00 H new ATOM 0 H1' G B 12 -8.726 2.262 11.342 1.00 0.00 H new ATOM 0 H8 G B 12 -6.847 -0.753 10.134 1.00 0.00 H new ATOM 0 H1 G B 12 -3.164 4.384 11.295 1.00 0.00 H new ATOM 0 H21 G B 12 -6.173 6.121 11.407 1.00 0.00 H new ATOM 0 H22 G B 12 -4.411 6.178 11.530 1.00 0.00 H new ATOM 391 P U B 13 -9.681 1.763 5.918 1.00 0.00 P ATOM 392 OP1 U B 13 -10.813 2.237 5.090 1.00 0.00 O ATOM 393 OP2 U B 13 -8.813 0.674 5.419 1.00 0.00 O ATOM 394 O5' U B 13 -8.745 3.024 6.259 1.00 0.00 O ATOM 395 C5' U B 13 -9.292 4.280 6.603 1.00 0.00 C ATOM 396 C4' U B 13 -8.144 5.248 6.904 1.00 0.00 C ATOM 397 O4' U B 13 -7.340 4.793 7.989 1.00 0.00 O ATOM 398 C3' U B 13 -7.213 5.372 5.712 1.00 0.00 C ATOM 399 O3' U B 13 -7.676 6.323 4.761 1.00 0.00 O ATOM 400 C2' U B 13 -5.938 5.805 6.358 1.00 0.00 C ATOM 401 O2' U B 13 -5.952 7.202 6.565 1.00 0.00 O ATOM 402 C1' U B 13 -5.970 5.106 7.701 1.00 0.00 C ATOM 403 N1 U B 13 -5.153 3.871 7.695 1.00 0.00 N ATOM 404 C2 U B 13 -3.798 4.000 7.965 1.00 0.00 C ATOM 405 O2 U B 13 -3.278 5.093 8.173 1.00 0.00 O ATOM 406 N3 U B 13 -3.061 2.824 7.992 1.00 0.00 N ATOM 407 C4 U B 13 -3.572 1.545 7.813 1.00 0.00 C ATOM 408 O4 U B 13 -2.833 0.565 7.848 1.00 0.00 O ATOM 409 C5 U B 13 -5.006 1.510 7.601 1.00 0.00 C ATOM 410 C6 U B 13 -5.728 2.642 7.546 1.00 0.00 C ATOM 0 H5' U B 13 -9.943 4.184 7.472 1.00 0.00 H new ATOM 0 H5'' U B 13 -9.905 4.662 5.786 1.00 0.00 H new ATOM 0 H4' U B 13 -8.613 6.202 7.146 1.00 0.00 H new ATOM 0 H3' U B 13 -7.123 4.451 5.135 1.00 0.00 H new ATOM 0 H2' U B 13 -5.058 5.569 5.760 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.741 7.589 6.132 1.00 0.00 H new ATOM 0 H1' U B 13 -5.547 5.759 8.464 1.00 0.00 H new ATOM 0 H3 U B 13 -2.058 2.906 8.158 1.00 0.00 H new ATOM 0 H5 U B 13 -5.502 0.558 7.485 1.00 0.00 H new ATOM 0 H6 U B 13 -6.793 2.578 7.379 1.00 0.00 H new ATOM 421 P U B 14 -6.956 6.482 3.317 1.00 0.00 P ATOM 422 OP1 U B 14 -7.818 7.338 2.471 1.00 0.00 O ATOM 423 OP2 U B 14 -6.586 5.128 2.848 1.00 0.00 O ATOM 424 O5' U B 14 -5.585 7.297 3.614 1.00 0.00 O ATOM 425 C5' U B 14 -5.578 8.713 3.739 1.00 0.00 C ATOM 426 C4' U B 14 -4.127 9.222 3.853 1.00 0.00 C ATOM 427 O4' U B 14 -3.507 8.779 5.055 1.00 0.00 O ATOM 428 C3' U B 14 -3.245 8.712 2.726 1.00 0.00 C ATOM 429 O3' U B 14 -3.396 9.445 1.525 1.00 0.00 O ATOM 430 C2' U B 14 -1.891 8.942 3.334 1.00 0.00 C ATOM 431 O2' U B 14 -1.576 10.318 3.293 1.00 0.00 O ATOM 432 C1' U B 14 -2.119 8.548 4.775 1.00 0.00 C ATOM 433 N1 U B 14 -1.803 7.121 4.986 1.00 0.00 N ATOM 434 C2 U B 14 -0.482 6.765 5.211 1.00 0.00 C ATOM 435 O2 U B 14 0.436 7.579 5.162 1.00 0.00 O ATOM 436 N3 U B 14 -0.256 5.429 5.500 1.00 0.00 N ATOM 437 C4 U B 14 -1.224 4.440 5.595 1.00 0.00 C ATOM 438 O4 U B 14 -0.914 3.283 5.862 1.00 0.00 O ATOM 439 C5 U B 14 -2.567 4.911 5.356 1.00 0.00 C ATOM 440 C6 U B 14 -2.802 6.207 5.061 1.00 0.00 C ATOM 0 H5' U B 14 -6.148 9.012 4.619 1.00 0.00 H new ATOM 0 H5'' U B 14 -6.065 9.166 2.875 1.00 0.00 H new ATOM 0 H4' U B 14 -4.211 10.308 3.821 1.00 0.00 H new ATOM 0 H3' U B 14 -3.463 7.688 2.423 1.00 0.00 H new ATOM 0 H2' U B 14 -1.090 8.400 2.832 1.00 0.00 H new ATOM 0 HO2' U B 14 -2.198 10.778 2.692 1.00 0.00 H new ATOM 0 H1' U B 14 -1.474 9.130 5.433 1.00 0.00 H new ATOM 0 H3 U B 14 0.711 5.147 5.657 1.00 0.00 H new ATOM 0 H5 U B 14 -3.394 4.218 5.414 1.00 0.00 H new ATOM 0 H6 U B 14 -3.818 6.526 4.879 1.00 0.00 H new ATOM 451 P C B 15 -2.755 8.901 0.142 1.00 0.00 P ATOM 452 OP1 C B 15 -2.977 9.927 -0.901 1.00 0.00 O ATOM 453 OP2 C B 15 -3.247 7.523 -0.071 1.00 0.00 O ATOM 454 O5' C B 15 -1.165 8.820 0.437 1.00 0.00 O ATOM 455 C5' C B 15 -0.351 9.977 0.419 1.00 0.00 C ATOM 456 C4' C B 15 1.115 9.582 0.655 1.00 0.00 C ATOM 457 O4' C B 15 1.311 8.953 1.928 1.00 0.00 O ATOM 458 C3' C B 15 1.599 8.573 -0.365 1.00 0.00 C ATOM 459 O3' C B 15 1.916 9.167 -1.612 1.00 0.00 O ATOM 460 C2' C B 15 2.831 8.072 0.340 1.00 0.00 C ATOM 461 O2' C B 15 3.843 9.053 0.258 1.00 0.00 O ATOM 462 C1' C B 15 2.377 7.988 1.785 1.00 0.00 C ATOM 463 N1 C B 15 1.892 6.624 2.122 1.00 0.00 N ATOM 464 C2 C B 15 2.840 5.673 2.493 1.00 0.00 C ATOM 465 O2 C B 15 4.038 5.947 2.472 1.00 0.00 O ATOM 466 N3 C B 15 2.401 4.442 2.881 1.00 0.00 N ATOM 467 C4 C B 15 1.092 4.154 2.905 1.00 0.00 C ATOM 468 N4 C B 15 0.704 2.938 3.305 1.00 0.00 N ATOM 469 C5 C B 15 0.108 5.124 2.523 1.00 0.00 C ATOM 470 C6 C B 15 0.560 6.336 2.145 1.00 0.00 C ATOM 0 H5' C B 15 -0.678 10.676 1.189 1.00 0.00 H new ATOM 0 H5'' C B 15 -0.450 10.489 -0.538 1.00 0.00 H new ATOM 0 H4' C B 15 1.666 10.520 0.588 1.00 0.00 H new ATOM 0 H3' C B 15 0.867 7.810 -0.631 1.00 0.00 H new ATOM 0 H2' C B 15 3.216 7.138 -0.069 1.00 0.00 H new ATOM 0 HO2' C B 15 3.617 9.698 -0.444 1.00 0.00 H new ATOM 0 H1' C B 15 3.204 8.198 2.463 1.00 0.00 H new ATOM 0 H41 C B 15 -0.288 2.702 3.330 1.00 0.00 H new ATOM 0 H42 C B 15 1.400 2.247 3.585 1.00 0.00 H new ATOM 0 H5 C B 15 -0.947 4.894 2.537 1.00 0.00 H new ATOM 0 H6 C B 15 -0.149 7.096 1.854 1.00 0.00 H new ATOM 482 P C B 16 2.137 8.255 -2.929 1.00 0.00 P ATOM 483 OP1 C B 16 2.545 9.142 -4.040 1.00 0.00 O ATOM 484 OP2 C B 16 0.951 7.385 -3.082 1.00 0.00 O ATOM 485 O5' C B 16 3.393 7.319 -2.548 1.00 0.00 O ATOM 486 C5' C B 16 4.721 7.795 -2.639 1.00 0.00 C ATOM 487 C4' C B 16 5.677 6.686 -2.193 1.00 0.00 C ATOM 488 O4' C B 16 5.409 6.272 -0.856 1.00 0.00 O ATOM 489 C3' C B 16 5.509 5.437 -3.026 1.00 0.00 C ATOM 490 O3' C B 16 6.162 5.529 -4.273 1.00 0.00 O ATOM 491 C2' C B 16 6.169 4.416 -2.137 1.00 0.00 C ATOM 492 O2' C B 16 7.569 4.464 -2.316 1.00 0.00 O ATOM 493 C1' C B 16 5.816 4.900 -0.732 1.00 0.00 C ATOM 494 N1 C B 16 4.705 4.060 -0.222 1.00 0.00 N ATOM 495 C2 C B 16 5.030 2.826 0.330 1.00 0.00 C ATOM 496 O2 C B 16 6.206 2.500 0.471 1.00 0.00 O ATOM 497 N3 C B 16 4.013 1.996 0.698 1.00 0.00 N ATOM 498 C4 C B 16 2.733 2.358 0.524 1.00 0.00 C ATOM 499 N4 C B 16 1.766 1.513 0.895 1.00 0.00 N ATOM 500 C5 C B 16 2.388 3.620 -0.058 1.00 0.00 C ATOM 501 C6 C B 16 3.408 4.429 -0.411 1.00 0.00 C ATOM 0 H5' C B 16 4.849 8.677 -2.012 1.00 0.00 H new ATOM 0 H5'' C B 16 4.944 8.096 -3.663 1.00 0.00 H new ATOM 0 H4' C B 16 6.676 7.111 -2.296 1.00 0.00 H new ATOM 0 H3' C B 16 4.474 5.218 -3.289 1.00 0.00 H new ATOM 0 H2' C B 16 5.849 3.394 -2.339 1.00 0.00 H new ATOM 0 HO2' C B 16 7.774 4.871 -3.183 1.00 0.00 H new ATOM 0 HO3' C B 16 6.027 4.698 -4.775 1.00 0.00 H new ATOM 0 H1' C B 16 6.654 4.825 -0.039 1.00 0.00 H new ATOM 0 H41 C B 16 0.787 1.772 0.770 1.00 0.00 H new ATOM 0 H42 C B 16 2.007 0.610 1.303 1.00 0.00 H new ATOM 0 H5 C B 16 1.359 3.911 -0.207 1.00 0.00 H new ATOM 0 H6 C B 16 3.191 5.390 -0.853 1.00 0.00 H new TER 514 C B 16