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= -0.392 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot 180:sc= -0.225 USER MOD Single : A 3 G O2' : rot 180:sc= -0.291 USER MOD Single : A 4 G O2' : rot -27:sc= -0.281 USER MOD Single : A 5 U O2' : rot 180:sc= -0.311 USER MOD Single : A 6 C O2' : rot 180:sc= -0.375 USER MOD Single : A 7 U O2' : rot 180:sc= -0.451 USER MOD Single : A 8 C O2' : rot -17:sc= 0.0991 USER MOD Single : A 8 C O3' : rot 180:sc= 0.135 USER MOD Single : B 9 G O2' : rot 180:sc= -0.39 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 A O2' : rot 180:sc= -0.215 USER MOD Single : B 11 G O2' : rot 180:sc= -0.316 USER MOD Single : B 12 G O2' : rot -21:sc= -0.265 USER MOD Single : B 13 U O2' : rot -18:sc= 0.0868 USER MOD Single : B 14 C O2' : rot -27:sc= 0.111 USER MOD Single : B 15 U O2' : rot 180:sc= -0.421 USER MOD Single : B 16 C O2' : rot -18:sc= 0.126 USER MOD Single : B 16 C O3' : rot 180:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 6.732 -10.235 3.362 1.00 0.00 O ATOM 2 C5' G A 1 6.506 -9.174 4.264 1.00 0.00 C ATOM 3 C4' G A 1 7.396 -7.987 3.892 1.00 0.00 C ATOM 4 O4' G A 1 7.036 -7.451 2.619 1.00 0.00 O ATOM 5 C3' G A 1 7.233 -6.837 4.865 1.00 0.00 C ATOM 6 O3' G A 1 7.962 -7.033 6.062 1.00 0.00 O ATOM 7 C2' G A 1 7.794 -5.707 4.040 1.00 0.00 C ATOM 8 O2' G A 1 9.204 -5.784 4.004 1.00 0.00 O ATOM 9 C1' G A 1 7.251 -6.033 2.656 1.00 0.00 C ATOM 10 N9 G A 1 5.970 -5.329 2.458 1.00 0.00 N ATOM 11 C8 G A 1 4.697 -5.777 2.687 1.00 0.00 C ATOM 12 N7 G A 1 3.769 -4.905 2.409 1.00 0.00 N ATOM 13 C5 G A 1 4.479 -3.791 1.972 1.00 0.00 C ATOM 14 C6 G A 1 4.009 -2.516 1.538 1.00 0.00 C ATOM 15 O6 G A 1 2.849 -2.125 1.438 1.00 0.00 O ATOM 16 N1 G A 1 5.061 -1.668 1.208 1.00 0.00 N ATOM 17 C2 G A 1 6.397 -2.001 1.278 1.00 0.00 C ATOM 18 N2 G A 1 7.273 -1.055 0.928 1.00 0.00 N ATOM 19 N3 G A 1 6.840 -3.198 1.676 1.00 0.00 N ATOM 20 C4 G A 1 5.829 -4.040 2.008 1.00 0.00 C ATOM 0 H5' G A 1 6.720 -9.497 5.283 1.00 0.00 H new ATOM 0 H5'' G A 1 5.457 -8.878 4.238 1.00 0.00 H new ATOM 0 H4' G A 1 8.415 -8.375 3.899 1.00 0.00 H new ATOM 0 H3' G A 1 6.213 -6.685 5.217 1.00 0.00 H new ATOM 0 H2' G A 1 7.532 -4.718 4.416 1.00 0.00 H new ATOM 0 HO2' G A 1 9.558 -5.046 3.465 1.00 0.00 H new ATOM 0 HO5' G A 1 6.162 -10.995 3.602 1.00 0.00 H new ATOM 0 H1' G A 1 7.943 -5.723 1.873 1.00 0.00 H new ATOM 0 H8 G A 1 4.481 -6.765 3.065 1.00 0.00 H new ATOM 0 H1 G A 1 4.826 -0.728 0.890 1.00 0.00 H new ATOM 0 H21 G A 1 8.274 -1.249 0.962 1.00 0.00 H new ATOM 0 H22 G A 1 6.941 -0.139 0.627 1.00 0.00 H new ATOM 33 P A A 2 7.669 -6.124 7.365 1.00 0.00 P ATOM 34 OP1 A A 2 8.626 -6.515 8.423 1.00 0.00 O ATOM 35 OP2 A A 2 6.215 -6.177 7.634 1.00 0.00 O ATOM 36 O5' A A 2 8.033 -4.629 6.886 1.00 0.00 O ATOM 37 C5' A A 2 9.376 -4.207 6.761 1.00 0.00 C ATOM 38 C4' A A 2 9.404 -2.753 6.286 1.00 0.00 C ATOM 39 O4' A A 2 8.726 -2.600 5.044 1.00 0.00 O ATOM 40 C3' A A 2 8.676 -1.831 7.237 1.00 0.00 C ATOM 41 O3' A A 2 9.438 -1.546 8.398 1.00 0.00 O ATOM 42 C2' A A 2 8.490 -0.624 6.356 1.00 0.00 C ATOM 43 O2' A A 2 9.704 0.089 6.260 1.00 0.00 O ATOM 44 C1' A A 2 8.192 -1.269 5.001 1.00 0.00 C ATOM 45 N9 A A 2 6.731 -1.309 4.768 1.00 0.00 N ATOM 46 C8 A A 2 5.855 -2.355 4.927 1.00 0.00 C ATOM 47 N7 A A 2 4.617 -2.056 4.637 1.00 0.00 N ATOM 48 C5 A A 2 4.677 -0.718 4.257 1.00 0.00 C ATOM 49 C6 A A 2 3.696 0.199 3.828 1.00 0.00 C ATOM 50 N6 A A 2 2.399 -0.112 3.709 1.00 0.00 N ATOM 51 N1 A A 2 4.098 1.447 3.525 1.00 0.00 N ATOM 52 C2 A A 2 5.386 1.757 3.644 1.00 0.00 C ATOM 53 N3 A A 2 6.397 0.992 4.035 1.00 0.00 N ATOM 54 C4 A A 2 5.962 -0.256 4.331 1.00 0.00 C ATOM 0 H5' A A 2 9.905 -4.844 6.052 1.00 0.00 H new ATOM 0 H5'' A A 2 9.889 -4.299 7.718 1.00 0.00 H new ATOM 0 H4' A A 2 10.462 -2.501 6.213 1.00 0.00 H new ATOM 0 H3' A A 2 7.750 -2.237 7.646 1.00 0.00 H new ATOM 0 H2' A A 2 7.728 0.069 6.712 1.00 0.00 H new ATOM 0 HO2' A A 2 9.579 0.873 5.685 1.00 0.00 H new ATOM 0 H1' A A 2 8.642 -0.698 4.189 1.00 0.00 H new ATOM 0 H8 A A 2 6.162 -3.335 5.261 1.00 0.00 H new ATOM 0 H61 A A 2 1.732 0.593 3.394 1.00 0.00 H new ATOM 0 H62 A A 2 2.078 -1.054 3.934 1.00 0.00 H new ATOM 0 H2 A A 2 5.645 2.773 3.386 1.00 0.00 H new ATOM 66 P G A 3 8.755 -0.872 9.699 1.00 0.00 P ATOM 67 OP1 G A 3 9.804 -0.689 10.727 1.00 0.00 O ATOM 68 OP2 G A 3 7.537 -1.647 10.024 1.00 0.00 O ATOM 69 O5' G A 3 8.297 0.582 9.188 1.00 0.00 O ATOM 70 C5' G A 3 9.233 1.627 9.012 1.00 0.00 C ATOM 71 C4' G A 3 8.495 2.857 8.486 1.00 0.00 C ATOM 72 O4' G A 3 7.839 2.562 7.260 1.00 0.00 O ATOM 73 C3' G A 3 7.405 3.314 9.418 1.00 0.00 C ATOM 74 O3' G A 3 7.917 4.040 10.523 1.00 0.00 O ATOM 75 C2' G A 3 6.622 4.197 8.473 1.00 0.00 C ATOM 76 O2' G A 3 7.268 5.445 8.329 1.00 0.00 O ATOM 77 C1' G A 3 6.721 3.443 7.149 1.00 0.00 C ATOM 78 N9 G A 3 5.474 2.687 6.939 1.00 0.00 N ATOM 79 C8 G A 3 5.206 1.361 7.166 1.00 0.00 C ATOM 80 N7 G A 3 3.969 1.023 6.923 1.00 0.00 N ATOM 81 C5 G A 3 3.374 2.212 6.510 1.00 0.00 C ATOM 82 C6 G A 3 2.029 2.480 6.116 1.00 0.00 C ATOM 83 O6 G A 3 1.084 1.698 6.043 1.00 0.00 O ATOM 84 N1 G A 3 1.850 3.821 5.791 1.00 0.00 N ATOM 85 C2 G A 3 2.838 4.782 5.827 1.00 0.00 C ATOM 86 N2 G A 3 2.491 6.021 5.471 1.00 0.00 N ATOM 87 N3 G A 3 4.097 4.532 6.189 1.00 0.00 N ATOM 88 C4 G A 3 4.291 3.232 6.518 1.00 0.00 C ATOM 0 H5' G A 3 10.011 1.324 8.311 1.00 0.00 H new ATOM 0 H5'' G A 3 9.726 1.857 9.957 1.00 0.00 H new ATOM 0 H4' G A 3 9.258 3.627 8.376 1.00 0.00 H new ATOM 0 H3' G A 3 6.832 2.514 9.887 1.00 0.00 H new ATOM 0 H2' G A 3 5.603 4.387 8.810 1.00 0.00 H new ATOM 0 HO2' G A 3 6.755 6.010 7.715 1.00 0.00 H new ATOM 0 H1' G A 3 6.856 4.115 6.302 1.00 0.00 H new ATOM 0 H8 G A 3 5.951 0.661 7.514 1.00 0.00 H new ATOM 0 H1 G A 3 0.917 4.116 5.504 1.00 0.00 H new ATOM 0 H21 G A 3 3.186 6.768 5.481 1.00 0.00 H new ATOM 0 H22 G A 3 1.531 6.221 5.189 1.00 0.00 H new ATOM 100 P G A 4 6.939 4.579 11.694 1.00 0.00 P ATOM 101 OP1 G A 4 7.785 5.062 12.808 1.00 0.00 O ATOM 102 OP2 G A 4 5.919 3.538 11.948 1.00 0.00 O ATOM 103 O5' G A 4 6.193 5.861 11.045 1.00 0.00 O ATOM 104 C5' G A 4 6.875 7.090 10.861 1.00 0.00 C ATOM 105 C4' G A 4 5.890 8.161 10.372 1.00 0.00 C ATOM 106 O4' G A 4 5.286 7.793 9.129 1.00 0.00 O ATOM 107 C3' G A 4 4.745 8.360 11.347 1.00 0.00 C ATOM 108 O3' G A 4 5.099 9.220 12.414 1.00 0.00 O ATOM 109 C2' G A 4 3.722 9.002 10.442 1.00 0.00 C ATOM 110 O2' G A 4 4.067 10.353 10.218 1.00 0.00 O ATOM 111 C1' G A 4 3.918 8.233 9.145 1.00 0.00 C ATOM 112 N9 G A 4 3.026 7.060 9.096 1.00 0.00 N ATOM 113 C8 G A 4 3.352 5.741 9.233 1.00 0.00 C ATOM 114 N7 G A 4 2.347 4.924 9.083 1.00 0.00 N ATOM 115 C5 G A 4 1.269 5.767 8.828 1.00 0.00 C ATOM 116 C6 G A 4 -0.100 5.452 8.579 1.00 0.00 C ATOM 117 O6 G A 4 -0.630 4.346 8.528 1.00 0.00 O ATOM 118 N1 G A 4 -0.863 6.599 8.387 1.00 0.00 N ATOM 119 C2 G A 4 -0.373 7.887 8.410 1.00 0.00 C ATOM 120 N2 G A 4 -1.257 8.869 8.204 1.00 0.00 N ATOM 121 N3 G A 4 0.914 8.186 8.632 1.00 0.00 N ATOM 122 C4 G A 4 1.674 7.080 8.836 1.00 0.00 C ATOM 0 H5' G A 4 7.680 6.965 10.137 1.00 0.00 H new ATOM 0 H5'' G A 4 7.335 7.406 11.798 1.00 0.00 H new ATOM 0 H4' G A 4 6.481 9.071 10.270 1.00 0.00 H new ATOM 0 H3' G A 4 4.414 7.447 11.842 1.00 0.00 H new ATOM 0 H2' G A 4 2.707 8.977 10.840 1.00 0.00 H new ATOM 0 HO2' G A 4 4.587 10.688 10.978 1.00 0.00 H new ATOM 0 H1' G A 4 3.687 8.865 8.288 1.00 0.00 H new ATOM 0 H8 G A 4 4.355 5.404 9.447 1.00 0.00 H new ATOM 0 H1 G A 4 -1.861 6.478 8.216 1.00 0.00 H new ATOM 0 H21 G A 4 -0.950 9.842 8.210 1.00 0.00 H new ATOM 0 H22 G A 4 -2.239 8.645 8.041 1.00 0.00 H new ATOM 134 P U A 5 4.273 9.203 13.798 1.00 0.00 P ATOM 135 OP1 U A 5 4.694 10.373 14.601 1.00 0.00 O ATOM 136 OP2 U A 5 4.380 7.844 14.372 1.00 0.00 O ATOM 137 O5' U A 5 2.744 9.428 13.343 1.00 0.00 O ATOM 138 C5' U A 5 2.264 10.698 12.958 1.00 0.00 C ATOM 139 C4' U A 5 0.762 10.605 12.644 1.00 0.00 C ATOM 140 O4' U A 5 0.467 9.851 11.461 1.00 0.00 O ATOM 141 C3' U A 5 -0.018 9.959 13.757 1.00 0.00 C ATOM 142 O3' U A 5 -0.234 10.837 14.845 1.00 0.00 O ATOM 143 C2' U A 5 -1.289 9.654 13.010 1.00 0.00 C ATOM 144 O2' U A 5 -2.037 10.835 12.794 1.00 0.00 O ATOM 145 C1' U A 5 -0.772 9.147 11.688 1.00 0.00 C ATOM 146 N1 U A 5 -0.500 7.691 11.755 1.00 0.00 N ATOM 147 C2 U A 5 -1.536 6.805 11.476 1.00 0.00 C ATOM 148 O2 U A 5 -2.679 7.180 11.218 1.00 0.00 O ATOM 149 N3 U A 5 -1.205 5.458 11.502 1.00 0.00 N ATOM 150 C4 U A 5 0.046 4.931 11.781 1.00 0.00 C ATOM 151 O4 U A 5 0.228 3.717 11.775 1.00 0.00 O ATOM 152 C5 U A 5 1.055 5.927 12.061 1.00 0.00 C ATOM 153 C6 U A 5 0.753 7.245 12.037 1.00 0.00 C ATOM 0 H5' U A 5 2.808 11.054 12.083 1.00 0.00 H new ATOM 0 H5'' U A 5 2.436 11.421 13.756 1.00 0.00 H new ATOM 0 H4' U A 5 0.468 11.645 12.506 1.00 0.00 H new ATOM 0 H3' U A 5 0.465 9.103 14.228 1.00 0.00 H new ATOM 0 H2' U A 5 -1.942 8.959 13.539 1.00 0.00 H new ATOM 0 HO2' U A 5 -2.859 10.617 12.306 1.00 0.00 H new ATOM 0 H1' U A 5 -1.499 9.311 10.893 1.00 0.00 H new ATOM 0 H3 U A 5 -1.952 4.794 11.297 1.00 0.00 H new ATOM 0 H5 U A 5 2.063 5.615 12.292 1.00 0.00 H new ATOM 0 H6 U A 5 1.530 7.965 12.248 1.00 0.00 H new ATOM 164 P C A 6 -0.695 10.267 16.282 1.00 0.00 P ATOM 165 OP1 C A 6 -0.968 11.419 17.171 1.00 0.00 O ATOM 166 OP2 C A 6 0.279 9.234 16.696 1.00 0.00 O ATOM 167 O5' C A 6 -2.090 9.536 15.965 1.00 0.00 O ATOM 168 C5' C A 6 -3.264 10.279 15.730 1.00 0.00 C ATOM 169 C4' C A 6 -4.403 9.324 15.370 1.00 0.00 C ATOM 170 O4' C A 6 -4.116 8.582 14.184 1.00 0.00 O ATOM 171 C3' C A 6 -4.647 8.284 16.443 1.00 0.00 C ATOM 172 O3' C A 6 -5.371 8.795 17.545 1.00 0.00 O ATOM 173 C2' C A 6 -5.451 7.283 15.654 1.00 0.00 C ATOM 174 O2' C A 6 -6.766 7.763 15.458 1.00 0.00 O ATOM 175 C1' C A 6 -4.725 7.287 14.314 1.00 0.00 C ATOM 176 N1 C A 6 -3.694 6.218 14.302 1.00 0.00 N ATOM 177 C2 C A 6 -4.140 4.920 14.102 1.00 0.00 C ATOM 178 O2 C A 6 -5.331 4.702 13.903 1.00 0.00 O ATOM 179 N3 C A 6 -3.228 3.910 14.135 1.00 0.00 N ATOM 180 C4 C A 6 -1.933 4.159 14.362 1.00 0.00 C ATOM 181 N4 C A 6 -1.075 3.135 14.395 1.00 0.00 N ATOM 182 C5 C A 6 -1.454 5.495 14.562 1.00 0.00 C ATOM 183 C6 C A 6 -2.369 6.488 14.516 1.00 0.00 C ATOM 0 H5' C A 6 -3.102 10.991 14.921 1.00 0.00 H new ATOM 0 H5'' C A 6 -3.525 10.858 16.616 1.00 0.00 H new ATOM 0 H4' C A 6 -5.273 9.969 15.244 1.00 0.00 H new ATOM 0 H3' C A 6 -3.742 7.891 16.906 1.00 0.00 H new ATOM 0 H2' C A 6 -5.528 6.307 16.133 1.00 0.00 H new ATOM 0 HO2' C A 6 -7.281 7.107 14.943 1.00 0.00 H new ATOM 0 H1' C A 6 -5.406 7.097 13.485 1.00 0.00 H new ATOM 0 H41 C A 6 -0.084 3.305 14.567 1.00 0.00 H new ATOM 0 H42 C A 6 -1.411 2.183 14.249 1.00 0.00 H new ATOM 0 H5 C A 6 -0.409 5.699 14.741 1.00 0.00 H new ATOM 0 H6 C A 6 -2.050 7.511 14.650 1.00 0.00 H new ATOM 195 P U A 7 -5.431 7.983 18.940 1.00 0.00 P ATOM 196 OP1 U A 7 -6.297 8.736 19.873 1.00 0.00 O ATOM 197 OP2 U A 7 -4.043 7.654 19.332 1.00 0.00 O ATOM 198 O5' U A 7 -6.180 6.605 18.562 1.00 0.00 O ATOM 199 C5' U A 7 -7.574 6.570 18.342 1.00 0.00 C ATOM 200 C4' U A 7 -8.017 5.128 18.084 1.00 0.00 C ATOM 201 O4' U A 7 -7.372 4.566 16.936 1.00 0.00 O ATOM 202 C3' U A 7 -7.650 4.203 19.226 1.00 0.00 C ATOM 203 O3' U A 7 -8.515 4.324 20.340 1.00 0.00 O ATOM 204 C2' U A 7 -7.807 2.874 18.540 1.00 0.00 C ATOM 205 O2' U A 7 -9.178 2.561 18.405 1.00 0.00 O ATOM 206 C1' U A 7 -7.236 3.148 17.158 1.00 0.00 C ATOM 207 N1 U A 7 -5.809 2.728 17.089 1.00 0.00 N ATOM 208 C2 U A 7 -5.558 1.369 16.948 1.00 0.00 C ATOM 209 O2 U A 7 -6.461 0.537 16.900 1.00 0.00 O ATOM 210 N3 U A 7 -4.228 0.996 16.861 1.00 0.00 N ATOM 211 C4 U A 7 -3.138 1.847 16.906 1.00 0.00 C ATOM 212 O4 U A 7 -1.996 1.400 16.831 1.00 0.00 O ATOM 213 C5 U A 7 -3.486 3.246 17.040 1.00 0.00 C ATOM 214 C6 U A 7 -4.782 3.638 17.123 1.00 0.00 C ATOM 0 H5' U A 7 -7.834 7.199 17.490 1.00 0.00 H new ATOM 0 H5'' U A 7 -8.099 6.973 19.208 1.00 0.00 H new ATOM 0 H4' U A 7 -9.097 5.195 17.951 1.00 0.00 H new ATOM 0 H3' U A 7 -6.669 4.395 19.660 1.00 0.00 H new ATOM 0 H2' U A 7 -7.329 2.053 19.074 1.00 0.00 H new ATOM 0 HO2' U A 7 -9.273 1.695 17.956 1.00 0.00 H new ATOM 0 H1' U A 7 -7.765 2.583 16.390 1.00 0.00 H new ATOM 0 H3 U A 7 -4.033 0.001 16.754 1.00 0.00 H new ATOM 0 H5 U A 7 -2.702 3.988 17.074 1.00 0.00 H new ATOM 0 H6 U A 7 -5.011 4.689 17.218 1.00 0.00 H new ATOM 225 P C A 8 -8.154 3.608 21.746 1.00 0.00 P ATOM 226 OP1 C A 8 -9.242 3.902 22.705 1.00 0.00 O ATOM 227 OP2 C A 8 -6.760 3.962 22.090 1.00 0.00 O ATOM 228 O5' C A 8 -8.197 2.028 21.411 1.00 0.00 O ATOM 229 C5' C A 8 -9.426 1.346 21.272 1.00 0.00 C ATOM 230 C4' C A 8 -9.166 -0.139 20.993 1.00 0.00 C ATOM 231 O4' C A 8 -8.415 -0.334 19.799 1.00 0.00 O ATOM 232 C3' C A 8 -8.333 -0.795 22.071 1.00 0.00 C ATOM 233 O3' C A 8 -9.064 -1.044 23.252 1.00 0.00 O ATOM 234 C2' C A 8 -7.938 -2.064 21.370 1.00 0.00 C ATOM 235 O2' C A 8 -9.030 -2.960 21.348 1.00 0.00 O ATOM 236 C1' C A 8 -7.670 -1.558 19.952 1.00 0.00 C ATOM 237 N1 C A 8 -6.213 -1.312 19.779 1.00 0.00 N ATOM 238 C2 C A 8 -5.398 -2.418 19.563 1.00 0.00 C ATOM 239 O2 C A 8 -5.887 -3.543 19.495 1.00 0.00 O ATOM 240 N3 C A 8 -4.056 -2.216 19.432 1.00 0.00 N ATOM 241 C4 C A 8 -3.534 -0.983 19.513 1.00 0.00 C ATOM 242 N4 C A 8 -2.214 -0.827 19.370 1.00 0.00 N ATOM 243 C5 C A 8 -4.361 0.162 19.744 1.00 0.00 C ATOM 244 C6 C A 8 -5.688 -0.054 19.866 1.00 0.00 C ATOM 0 H5' C A 8 -10.005 1.783 20.458 1.00 0.00 H new ATOM 0 H5'' C A 8 -10.019 1.457 22.180 1.00 0.00 H new ATOM 0 H4' C A 8 -10.163 -0.575 20.931 1.00 0.00 H new ATOM 0 H3' C A 8 -7.500 -0.188 22.425 1.00 0.00 H new ATOM 0 H2' C A 8 -7.102 -2.589 21.832 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.694 -2.683 22.013 1.00 0.00 H new ATOM 0 HO3' C A 8 -8.480 -1.470 23.914 1.00 0.00 H new ATOM 0 H1' C A 8 -7.976 -2.287 19.201 1.00 0.00 H new ATOM 0 H41 C A 8 -1.801 0.104 19.429 1.00 0.00 H new ATOM 0 H42 C A 8 -1.620 -1.639 19.202 1.00 0.00 H new ATOM 0 H5 C A 8 -3.942 1.155 19.817 1.00 0.00 H new ATOM 0 H6 C A 8 -6.347 0.784 20.036 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.583 -11.154 17.562 1.00 0.00 O ATOM 259 C5' G B 9 2.947 -10.395 16.558 1.00 0.00 C ATOM 260 C4' G B 9 1.448 -10.320 16.848 1.00 0.00 C ATOM 261 O4' G B 9 1.195 -9.607 18.058 1.00 0.00 O ATOM 262 C3' G B 9 0.704 -9.553 15.774 1.00 0.00 C ATOM 263 O3' G B 9 0.459 -10.334 14.621 1.00 0.00 O ATOM 264 C2' G B 9 -0.567 -9.222 16.514 1.00 0.00 C ATOM 265 O2' G B 9 -1.392 -10.365 16.598 1.00 0.00 O ATOM 266 C1' G B 9 -0.042 -8.894 17.904 1.00 0.00 C ATOM 267 N9 G B 9 0.204 -7.442 18.002 1.00 0.00 N ATOM 268 C8 G B 9 1.361 -6.747 17.773 1.00 0.00 C ATOM 269 N7 G B 9 1.250 -5.460 17.948 1.00 0.00 N ATOM 270 C5 G B 9 -0.082 -5.286 18.313 1.00 0.00 C ATOM 271 C6 G B 9 -0.799 -4.094 18.623 1.00 0.00 C ATOM 272 O6 G B 9 -0.381 -2.939 18.655 1.00 0.00 O ATOM 273 N1 G B 9 -2.133 -4.360 18.914 1.00 0.00 N ATOM 274 C2 G B 9 -2.707 -5.614 18.913 1.00 0.00 C ATOM 275 N2 G B 9 -4.008 -5.681 19.211 1.00 0.00 N ATOM 276 N3 G B 9 -2.035 -6.734 18.630 1.00 0.00 N ATOM 277 C4 G B 9 -0.732 -6.496 18.339 1.00 0.00 C ATOM 0 H5' G B 9 3.117 -10.849 15.582 1.00 0.00 H new ATOM 0 H5'' G B 9 3.372 -9.392 16.522 1.00 0.00 H new ATOM 0 H4' G B 9 1.110 -11.355 16.903 1.00 0.00 H new ATOM 0 H3' G B 9 1.243 -8.692 15.379 1.00 0.00 H new ATOM 0 H2' G B 9 -1.154 -8.432 16.046 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.214 -10.140 17.081 1.00 0.00 H new ATOM 0 HO5' G B 9 4.544 -11.203 17.375 1.00 0.00 H new ATOM 0 H1' G B 9 -0.756 -9.178 18.677 1.00 0.00 H new ATOM 0 H8 G B 9 2.283 -7.223 17.474 1.00 0.00 H new ATOM 0 H1 G B 9 -2.732 -3.568 19.146 1.00 0.00 H new ATOM 0 H21 G B 9 -4.482 -6.584 19.225 1.00 0.00 H new ATOM 0 H22 G B 9 -4.527 -4.829 19.425 1.00 0.00 H new ATOM 290 P A B 10 0.001 -9.640 13.236 1.00 0.00 P ATOM 291 OP1 A B 10 -0.241 -10.710 12.243 1.00 0.00 O ATOM 292 OP2 A B 10 0.966 -8.561 12.930 1.00 0.00 O ATOM 293 O5' A B 10 -1.414 -8.957 13.593 1.00 0.00 O ATOM 294 C5' A B 10 -2.590 -9.731 13.719 1.00 0.00 C ATOM 295 C4' A B 10 -3.763 -8.812 14.066 1.00 0.00 C ATOM 296 O4' A B 10 -3.521 -8.094 15.270 1.00 0.00 O ATOM 297 C3' A B 10 -3.976 -7.743 13.018 1.00 0.00 C ATOM 298 O3' A B 10 -4.615 -8.248 11.857 1.00 0.00 O ATOM 299 C2' A B 10 -4.843 -6.781 13.785 1.00 0.00 C ATOM 300 O2' A B 10 -6.163 -7.276 13.852 1.00 0.00 O ATOM 301 C1' A B 10 -4.223 -6.847 15.182 1.00 0.00 C ATOM 302 N9 A B 10 -3.287 -5.716 15.377 1.00 0.00 N ATOM 303 C8 A B 10 -1.917 -5.697 15.283 1.00 0.00 C ATOM 304 N7 A B 10 -1.388 -4.526 15.511 1.00 0.00 N ATOM 305 C5 A B 10 -2.484 -3.710 15.777 1.00 0.00 C ATOM 306 C6 A B 10 -2.603 -2.343 16.098 1.00 0.00 C ATOM 307 N6 A B 10 -1.554 -1.519 16.207 1.00 0.00 N ATOM 308 N1 A B 10 -3.840 -1.855 16.304 1.00 0.00 N ATOM 309 C2 A B 10 -4.883 -2.673 16.197 1.00 0.00 C ATOM 310 N3 A B 10 -4.903 -3.967 15.901 1.00 0.00 N ATOM 311 C4 A B 10 -3.646 -4.428 15.700 1.00 0.00 C ATOM 0 H5' A B 10 -2.462 -10.485 14.495 1.00 0.00 H new ATOM 0 H5'' A B 10 -2.791 -10.262 12.789 1.00 0.00 H new ATOM 0 H4' A B 10 -4.625 -9.474 14.146 1.00 0.00 H new ATOM 0 H3' A B 10 -3.060 -7.305 12.621 1.00 0.00 H new ATOM 0 H2' A B 10 -4.887 -5.783 13.349 1.00 0.00 H new ATOM 0 HO2' A B 10 -6.723 -6.647 14.353 1.00 0.00 H new ATOM 0 H1' A B 10 -4.990 -6.780 15.953 1.00 0.00 H new ATOM 0 H8 A B 10 -1.331 -6.572 15.042 1.00 0.00 H new ATOM 0 H61 A B 10 -1.699 -0.537 16.442 1.00 0.00 H new ATOM 0 H62 A B 10 -0.610 -1.873 16.055 1.00 0.00 H new ATOM 0 H2 A B 10 -5.848 -2.222 16.376 1.00 0.00 H new ATOM 323 P G B 11 -4.645 -7.396 10.485 1.00 0.00 P ATOM 324 OP1 G B 11 -5.391 -8.178 9.473 1.00 0.00 O ATOM 325 OP2 G B 11 -3.264 -6.952 10.195 1.00 0.00 O ATOM 326 O5' G B 11 -5.517 -6.096 10.853 1.00 0.00 O ATOM 327 C5' G B 11 -6.925 -6.164 10.966 1.00 0.00 C ATOM 328 C4' G B 11 -7.447 -4.784 11.366 1.00 0.00 C ATOM 329 O4' G B 11 -6.863 -4.364 12.593 1.00 0.00 O ATOM 330 C3' G B 11 -7.080 -3.719 10.368 1.00 0.00 C ATOM 331 O3' G B 11 -7.917 -3.751 9.224 1.00 0.00 O ATOM 332 C2' G B 11 -7.321 -2.490 11.214 1.00 0.00 C ATOM 333 O2' G B 11 -8.704 -2.206 11.274 1.00 0.00 O ATOM 334 C1' G B 11 -6.857 -2.937 12.597 1.00 0.00 C ATOM 335 N9 G B 11 -5.499 -2.417 12.835 1.00 0.00 N ATOM 336 C8 G B 11 -4.287 -3.049 12.716 1.00 0.00 C ATOM 337 N7 G B 11 -3.263 -2.275 12.951 1.00 0.00 N ATOM 338 C5 G B 11 -3.838 -1.040 13.242 1.00 0.00 C ATOM 339 C6 G B 11 -3.226 0.206 13.572 1.00 0.00 C ATOM 340 O6 G B 11 -2.030 0.464 13.685 1.00 0.00 O ATOM 341 N1 G B 11 -4.175 1.203 13.774 1.00 0.00 N ATOM 342 C2 G B 11 -5.540 1.026 13.683 1.00 0.00 C ATOM 343 N2 G B 11 -6.307 2.093 13.919 1.00 0.00 N ATOM 344 N3 G B 11 -6.113 -0.139 13.381 1.00 0.00 N ATOM 345 C4 G B 11 -5.206 -1.123 13.172 1.00 0.00 C ATOM 0 H5' G B 11 -7.210 -6.907 11.711 1.00 0.00 H new ATOM 0 H5'' G B 11 -7.366 -6.476 10.019 1.00 0.00 H new ATOM 0 H4' G B 11 -8.529 -4.893 11.434 1.00 0.00 H new ATOM 0 H3' G B 11 -6.078 -3.803 9.948 1.00 0.00 H new ATOM 0 H2' G B 11 -6.816 -1.603 10.832 1.00 0.00 H new ATOM 0 HO2' G B 11 -8.851 -1.409 11.825 1.00 0.00 H new ATOM 0 H1' G B 11 -7.506 -2.562 13.388 1.00 0.00 H new ATOM 0 H8 G B 11 -4.189 -4.092 12.452 1.00 0.00 H new ATOM 0 H1 G B 11 -3.836 2.136 14.007 1.00 0.00 H new ATOM 0 H21 G B 11 -7.322 2.013 13.864 1.00 0.00 H new ATOM 0 H22 G B 11 -5.878 2.988 14.154 1.00 0.00 H new ATOM 357 P G B 12 -7.681 -2.735 7.986 1.00 0.00 P ATOM 358 OP1 G B 12 -8.530 -3.183 6.860 1.00 0.00 O ATOM 359 OP2 G B 12 -6.221 -2.592 7.790 1.00 0.00 O ATOM 360 O5' G B 12 -8.256 -1.316 8.509 1.00 0.00 O ATOM 361 C5' G B 12 -9.651 -1.087 8.619 1.00 0.00 C ATOM 362 C4' G B 12 -9.907 0.377 9.004 1.00 0.00 C ATOM 363 O4' G B 12 -9.294 0.706 10.253 1.00 0.00 O ATOM 364 C3' G B 12 -9.321 1.339 7.987 1.00 0.00 C ATOM 365 O3' G B 12 -10.176 1.521 6.874 1.00 0.00 O ATOM 366 C2' G B 12 -9.229 2.594 8.819 1.00 0.00 C ATOM 367 O2' G B 12 -10.513 3.167 8.957 1.00 0.00 O ATOM 368 C1' G B 12 -8.796 2.052 10.170 1.00 0.00 C ATOM 369 N9 G B 12 -7.326 2.038 10.281 1.00 0.00 N ATOM 370 C8 G B 12 -6.482 0.966 10.238 1.00 0.00 C ATOM 371 N7 G B 12 -5.227 1.267 10.427 1.00 0.00 N ATOM 372 C5 G B 12 -5.238 2.646 10.608 1.00 0.00 C ATOM 373 C6 G B 12 -4.160 3.547 10.857 1.00 0.00 C ATOM 374 O6 G B 12 -2.965 3.291 10.976 1.00 0.00 O ATOM 375 N1 G B 12 -4.603 4.862 10.959 1.00 0.00 N ATOM 376 C2 G B 12 -5.918 5.262 10.856 1.00 0.00 C ATOM 377 N2 G B 12 -6.156 6.572 10.981 1.00 0.00 N ATOM 378 N3 G B 12 -6.934 4.419 10.634 1.00 0.00 N ATOM 379 C4 G B 12 -6.521 3.130 10.517 1.00 0.00 C ATOM 0 H5' G B 12 -10.080 -1.751 9.370 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.142 -1.316 7.673 1.00 0.00 H new ATOM 0 H4' G B 12 -10.991 0.476 9.056 1.00 0.00 H new ATOM 0 H3' G B 12 -8.380 1.008 7.546 1.00 0.00 H new ATOM 0 H2' G B 12 -8.567 3.351 8.398 1.00 0.00 H new ATOM 0 HO2' G B 12 -11.096 2.839 8.241 1.00 0.00 H new ATOM 0 H1' G B 12 -9.184 2.678 10.974 1.00 0.00 H new ATOM 0 H8 G B 12 -6.824 -0.043 10.063 1.00 0.00 H new ATOM 0 H1 G B 12 -3.902 5.584 11.122 1.00 0.00 H new ATOM 0 H21 G B 12 -7.110 6.926 10.914 1.00 0.00 H new ATOM 0 H22 G B 12 -5.383 7.217 11.144 1.00 0.00 H new ATOM 391 P U B 13 -9.606 2.089 5.476 1.00 0.00 P ATOM 392 OP1 U B 13 -10.759 2.420 4.609 1.00 0.00 O ATOM 393 OP2 U B 13 -8.573 1.148 4.994 1.00 0.00 O ATOM 394 O5' U B 13 -8.871 3.464 5.883 1.00 0.00 O ATOM 395 C5' U B 13 -9.599 4.637 6.172 1.00 0.00 C ATOM 396 C4' U B 13 -8.621 5.785 6.474 1.00 0.00 C ATOM 397 O4' U B 13 -7.891 5.610 7.696 1.00 0.00 O ATOM 398 C3' U B 13 -7.587 5.956 5.394 1.00 0.00 C ATOM 399 O3' U B 13 -8.101 6.605 4.246 1.00 0.00 O ATOM 400 C2' U B 13 -6.616 6.824 6.144 1.00 0.00 C ATOM 401 O2' U B 13 -7.147 8.125 6.290 1.00 0.00 O ATOM 402 C1' U B 13 -6.573 6.163 7.499 1.00 0.00 C ATOM 403 N1 U B 13 -5.578 5.065 7.522 1.00 0.00 N ATOM 404 C2 U B 13 -4.260 5.362 7.857 1.00 0.00 C ATOM 405 O2 U B 13 -3.874 6.510 8.075 1.00 0.00 O ATOM 406 N3 U B 13 -3.396 4.281 7.935 1.00 0.00 N ATOM 407 C4 U B 13 -3.726 2.954 7.710 1.00 0.00 C ATOM 408 O4 U B 13 -2.879 2.072 7.811 1.00 0.00 O ATOM 409 C5 U B 13 -5.113 2.745 7.362 1.00 0.00 C ATOM 410 C6 U B 13 -5.972 3.786 7.285 1.00 0.00 C ATOM 0 H5' U B 13 -10.255 4.470 7.026 1.00 0.00 H new ATOM 0 H5'' U B 13 -10.236 4.900 5.327 1.00 0.00 H new ATOM 0 H4' U B 13 -9.269 6.658 6.546 1.00 0.00 H new ATOM 0 H3' U B 13 -7.181 5.030 4.987 1.00 0.00 H new ATOM 0 H2' U B 13 -5.647 6.917 5.654 1.00 0.00 H new ATOM 0 HO2' U B 13 -7.870 8.258 5.641 1.00 0.00 H new ATOM 0 H1' U B 13 -6.292 6.876 8.274 1.00 0.00 H new ATOM 0 H3 U B 13 -2.427 4.481 8.181 1.00 0.00 H new ATOM 0 H5 U B 13 -5.468 1.745 7.161 1.00 0.00 H new ATOM 0 H6 U B 13 -7.003 3.595 7.027 1.00 0.00 H new ATOM 421 P C B 14 -7.318 6.527 2.835 1.00 0.00 P ATOM 422 OP1 C B 14 -8.017 7.402 1.869 1.00 0.00 O ATOM 423 OP2 C B 14 -7.105 5.099 2.512 1.00 0.00 O ATOM 424 O5' C B 14 -5.885 7.181 3.161 1.00 0.00 O ATOM 425 C5' C B 14 -5.730 8.578 3.270 1.00 0.00 C ATOM 426 C4' C B 14 -4.290 8.895 3.674 1.00 0.00 C ATOM 427 O4' C B 14 -3.946 8.295 4.923 1.00 0.00 O ATOM 428 C3' C B 14 -3.280 8.361 2.682 1.00 0.00 C ATOM 429 O3' C B 14 -3.181 9.158 1.517 1.00 0.00 O ATOM 430 C2' C B 14 -2.038 8.446 3.527 1.00 0.00 C ATOM 431 O2' C B 14 -1.648 9.796 3.656 1.00 0.00 O ATOM 432 C1' C B 14 -2.550 7.961 4.879 1.00 0.00 C ATOM 433 N1 C B 14 -2.359 6.494 4.995 1.00 0.00 N ATOM 434 C2 C B 14 -1.073 6.046 5.255 1.00 0.00 C ATOM 435 O2 C B 14 -0.162 6.853 5.418 1.00 0.00 O ATOM 436 N3 C B 14 -0.854 4.705 5.319 1.00 0.00 N ATOM 437 C4 C B 14 -1.854 3.835 5.132 1.00 0.00 C ATOM 438 N4 C B 14 -1.590 2.526 5.193 1.00 0.00 N ATOM 439 C5 C B 14 -3.192 4.280 4.878 1.00 0.00 C ATOM 440 C6 C B 14 -3.396 5.614 4.827 1.00 0.00 C ATOM 0 H5' C B 14 -6.424 8.976 4.010 1.00 0.00 H new ATOM 0 H5'' C B 14 -5.968 9.057 2.320 1.00 0.00 H new ATOM 0 H4' C B 14 -4.253 9.983 3.724 1.00 0.00 H new ATOM 0 H3' C B 14 -3.511 7.374 2.282 1.00 0.00 H new ATOM 0 H2' C B 14 -1.191 7.888 3.128 1.00 0.00 H new ATOM 0 HO2' C B 14 -1.959 10.302 2.877 1.00 0.00 H new ATOM 0 H1' C B 14 -2.011 8.426 5.705 1.00 0.00 H new ATOM 0 H41 C B 14 -2.339 1.848 5.053 1.00 0.00 H new ATOM 0 H42 C B 14 -0.640 2.206 5.379 1.00 0.00 H new ATOM 0 H5 C B 14 -4.001 3.580 4.734 1.00 0.00 H new ATOM 0 H6 C B 14 -4.392 5.993 4.651 1.00 0.00 H new ATOM 452 P U B 15 -2.480 8.582 0.180 1.00 0.00 P ATOM 453 OP1 U B 15 -2.502 9.648 -0.845 1.00 0.00 O ATOM 454 OP2 U B 15 -3.087 7.266 -0.118 1.00 0.00 O ATOM 455 O5' U B 15 -0.944 8.333 0.610 1.00 0.00 O ATOM 456 C5' U B 15 -0.028 9.406 0.705 1.00 0.00 C ATOM 457 C4' U B 15 1.365 8.861 1.026 1.00 0.00 C ATOM 458 O4' U B 15 1.383 8.128 2.256 1.00 0.00 O ATOM 459 C3' U B 15 1.848 7.879 -0.019 1.00 0.00 C ATOM 460 O3' U B 15 2.299 8.506 -1.205 1.00 0.00 O ATOM 461 C2' U B 15 2.976 7.243 0.741 1.00 0.00 C ATOM 462 O2' U B 15 4.071 8.131 0.801 1.00 0.00 O ATOM 463 C1' U B 15 2.391 7.105 2.137 1.00 0.00 C ATOM 464 N1 U B 15 1.805 5.750 2.323 1.00 0.00 N ATOM 465 C2 U B 15 2.693 4.704 2.539 1.00 0.00 C ATOM 466 O2 U B 15 3.910 4.874 2.569 1.00 0.00 O ATOM 467 N3 U B 15 2.135 3.451 2.721 1.00 0.00 N ATOM 468 C4 U B 15 0.785 3.150 2.703 1.00 0.00 C ATOM 469 O4 U B 15 0.403 1.993 2.862 1.00 0.00 O ATOM 470 C5 U B 15 -0.074 4.298 2.491 1.00 0.00 C ATOM 471 C6 U B 15 0.448 5.537 2.315 1.00 0.00 C ATOM 0 H5' U B 15 -0.346 10.102 1.482 1.00 0.00 H new ATOM 0 H5'' U B 15 -0.005 9.963 -0.232 1.00 0.00 H new ATOM 0 H4' U B 15 2.001 9.745 1.072 1.00 0.00 H new ATOM 0 H3' U B 15 1.081 7.196 -0.385 1.00 0.00 H new ATOM 0 H2' U B 15 3.325 6.310 0.300 1.00 0.00 H new ATOM 0 HO2' U B 15 4.804 7.713 1.299 1.00 0.00 H new ATOM 0 H1' U B 15 3.156 7.224 2.905 1.00 0.00 H new ATOM 0 H3 U B 15 2.779 2.677 2.884 1.00 0.00 H new ATOM 0 H5 U B 15 -1.146 4.165 2.473 1.00 0.00 H new ATOM 0 H6 U B 15 -0.217 6.374 2.165 1.00 0.00 H new ATOM 482 P C B 16 2.642 7.629 -2.522 1.00 0.00 P ATOM 483 OP1 C B 16 3.078 8.555 -3.591 1.00 0.00 O ATOM 484 OP2 C B 16 1.508 6.711 -2.765 1.00 0.00 O ATOM 485 O5' C B 16 3.916 6.739 -2.082 1.00 0.00 O ATOM 486 C5' C B 16 5.206 7.308 -1.990 1.00 0.00 C ATOM 487 C4' C B 16 6.217 6.233 -1.574 1.00 0.00 C ATOM 488 O4' C B 16 5.887 5.646 -0.318 1.00 0.00 O ATOM 489 C3' C B 16 6.255 5.069 -2.538 1.00 0.00 C ATOM 490 O3' C B 16 6.943 5.369 -3.733 1.00 0.00 O ATOM 491 C2' C B 16 6.991 4.057 -1.710 1.00 0.00 C ATOM 492 O2' C B 16 8.365 4.380 -1.680 1.00 0.00 O ATOM 493 C1' C B 16 6.383 4.293 -0.327 1.00 0.00 C ATOM 494 N1 C B 16 5.275 3.326 -0.101 1.00 0.00 N ATOM 495 C2 C B 16 5.618 2.028 0.258 1.00 0.00 C ATOM 496 O2 C B 16 6.798 1.717 0.403 1.00 0.00 O ATOM 497 N3 C B 16 4.616 1.120 0.439 1.00 0.00 N ATOM 498 C4 C B 16 3.332 1.470 0.273 1.00 0.00 C ATOM 499 N4 C B 16 2.380 0.553 0.470 1.00 0.00 N ATOM 500 C5 C B 16 2.966 2.801 -0.103 1.00 0.00 C ATOM 501 C6 C B 16 3.969 3.688 -0.275 1.00 0.00 C ATOM 0 H5' C B 16 5.205 8.120 -1.263 1.00 0.00 H new ATOM 0 H5'' C B 16 5.493 7.739 -2.949 1.00 0.00 H new ATOM 0 H4' C B 16 7.170 6.762 -1.544 1.00 0.00 H new ATOM 0 H3' C B 16 5.274 4.752 -2.891 1.00 0.00 H new ATOM 0 H2' C B 16 6.909 3.032 -2.072 1.00 0.00 H new ATOM 0 HO2' C B 16 8.573 4.991 -2.417 1.00 0.00 H new ATOM 0 HO3' C B 16 6.939 4.583 -4.319 1.00 0.00 H new ATOM 0 H1' C B 16 7.117 4.150 0.466 1.00 0.00 H new ATOM 0 H41 C B 16 1.399 0.802 0.348 1.00 0.00 H new ATOM 0 H42 C B 16 2.635 -0.396 0.742 1.00 0.00 H new ATOM 0 H5 C B 16 1.933 3.084 -0.243 1.00 0.00 H new ATOM 0 H6 C B 16 3.734 4.704 -0.556 1.00 0.00 H new TER 514 C B 16