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= -0.199 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.368 USER MOD Single : A 3 A O2' : rot -30:sc= 0.147 USER MOD Single : A 4 U O2' : rot 180:sc= -0.248 USER MOD Single : A 5 G O2' : rot -9:sc= 0.124 USER MOD Single : A 6 U O2' : rot -15:sc= -0.431 USER MOD Single : A 7 C O2' : rot -9:sc= -0.196 USER MOD Single : A 8 C O2' : rot -22:sc= 0.148 USER MOD Single : A 8 C O3' : rot 180:sc= 0.184 USER MOD Single : B 9 G O2' : rot -19:sc= 0.0866 USER MOD Single : B 9 G O5' : rot 180:sc= -0.0097 USER MOD Single : B 10 G O2' : rot 180:sc= -0.363 USER MOD Single : B 11 A O2' : rot -24:sc= 0.153 USER MOD Single : B 12 U O2' : rot 180:sc= -0.255 USER MOD Single : B 13 G O2' : rot -16:sc= 0.186 USER MOD Single : B 14 U O2' : rot -14:sc= -0.447 USER MOD Single : B 15 C O2' : rot 180:sc= -0.277 USER MOD Single : B 16 C O2' : rot -29:sc= 0.143 USER MOD Single : B 16 C O3' : rot 180:sc= 0.169 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.313 -8.151 5.690 1.00 0.00 O ATOM 2 C5' G A 1 6.671 -8.532 5.751 1.00 0.00 C ATOM 3 C4' G A 1 7.567 -7.384 5.276 1.00 0.00 C ATOM 4 O4' G A 1 7.306 -7.046 3.915 1.00 0.00 O ATOM 5 C3' G A 1 7.344 -6.100 6.049 1.00 0.00 C ATOM 6 O3' G A 1 7.935 -6.127 7.335 1.00 0.00 O ATOM 7 C2' G A 1 8.026 -5.126 5.119 1.00 0.00 C ATOM 8 O2' G A 1 9.427 -5.266 5.221 1.00 0.00 O ATOM 9 C1' G A 1 7.576 -5.645 3.752 1.00 0.00 C ATOM 10 N9 G A 1 6.341 -4.941 3.347 1.00 0.00 N ATOM 11 C8 G A 1 5.045 -5.392 3.362 1.00 0.00 C ATOM 12 N7 G A 1 4.173 -4.511 2.958 1.00 0.00 N ATOM 13 C5 G A 1 4.942 -3.393 2.651 1.00 0.00 C ATOM 14 C6 G A 1 4.544 -2.113 2.166 1.00 0.00 C ATOM 15 O6 G A 1 3.411 -1.713 1.909 1.00 0.00 O ATOM 16 N1 G A 1 5.636 -1.271 1.987 1.00 0.00 N ATOM 17 C2 G A 1 6.948 -1.611 2.244 1.00 0.00 C ATOM 18 N2 G A 1 7.869 -0.669 2.018 1.00 0.00 N ATOM 19 N3 G A 1 7.324 -2.810 2.703 1.00 0.00 N ATOM 20 C4 G A 1 6.272 -3.649 2.883 1.00 0.00 C ATOM 0 H5' G A 1 6.837 -9.413 5.130 1.00 0.00 H new ATOM 0 H5'' G A 1 6.933 -8.808 6.772 1.00 0.00 H new ATOM 0 H4' G A 1 8.581 -7.755 5.424 1.00 0.00 H new ATOM 0 H3' G A 1 6.302 -5.873 6.272 1.00 0.00 H new ATOM 0 H2' G A 1 7.788 -4.081 5.317 1.00 0.00 H new ATOM 0 HO2' G A 1 9.864 -4.632 4.615 1.00 0.00 H new ATOM 0 HO5' G A 1 4.751 -8.894 5.994 1.00 0.00 H new ATOM 0 H1' G A 1 8.336 -5.478 2.988 1.00 0.00 H new ATOM 0 H8 G A 1 4.772 -6.387 3.680 1.00 0.00 H new ATOM 0 H1 G A 1 5.453 -0.330 1.639 1.00 0.00 H new ATOM 0 H21 G A 1 8.854 -0.867 2.191 1.00 0.00 H new ATOM 0 H22 G A 1 7.586 0.248 1.672 1.00 0.00 H new ATOM 33 P G A 2 7.562 -5.005 8.438 1.00 0.00 P ATOM 34 OP1 G A 2 8.314 -5.311 9.676 1.00 0.00 O ATOM 35 OP2 G A 2 6.088 -4.889 8.486 1.00 0.00 O ATOM 36 O5' G A 2 8.151 -3.639 7.820 1.00 0.00 O ATOM 37 C5' G A 2 9.540 -3.383 7.817 1.00 0.00 C ATOM 38 C4' G A 2 9.812 -2.037 7.142 1.00 0.00 C ATOM 39 O4' G A 2 9.288 -2.008 5.811 1.00 0.00 O ATOM 40 C3' G A 2 9.148 -0.874 7.853 1.00 0.00 C ATOM 41 O3' G A 2 9.834 -0.478 9.027 1.00 0.00 O ATOM 42 C2' G A 2 9.238 0.163 6.759 1.00 0.00 C ATOM 43 O2' G A 2 10.572 0.604 6.617 1.00 0.00 O ATOM 44 C1' G A 2 8.860 -0.664 5.535 1.00 0.00 C ATOM 45 N9 G A 2 7.389 -0.624 5.363 1.00 0.00 N ATOM 46 C8 G A 2 6.457 -1.584 5.668 1.00 0.00 C ATOM 47 N7 G A 2 5.229 -1.233 5.409 1.00 0.00 N ATOM 48 C5 G A 2 5.349 0.056 4.902 1.00 0.00 C ATOM 49 C6 G A 2 4.342 0.958 4.451 1.00 0.00 C ATOM 50 O6 G A 2 3.128 0.780 4.403 1.00 0.00 O ATOM 51 N1 G A 2 4.886 2.167 4.033 1.00 0.00 N ATOM 52 C2 G A 2 6.230 2.472 4.037 1.00 0.00 C ATOM 53 N2 G A 2 6.571 3.688 3.598 1.00 0.00 N ATOM 54 N3 G A 2 7.180 1.626 4.454 1.00 0.00 N ATOM 55 C4 G A 2 6.669 0.440 4.873 1.00 0.00 C ATOM 0 H5' G A 2 10.066 -4.179 7.289 1.00 0.00 H new ATOM 0 H5'' G A 2 9.920 -3.373 8.838 1.00 0.00 H new ATOM 0 H4' G A 2 10.897 -1.935 7.164 1.00 0.00 H new ATOM 0 H3' G A 2 8.144 -1.078 8.226 1.00 0.00 H new ATOM 0 H2' G A 2 8.624 1.047 6.931 1.00 0.00 H new ATOM 0 HO2' G A 2 10.621 1.275 5.904 1.00 0.00 H new ATOM 0 H1' G A 2 9.324 -0.285 4.624 1.00 0.00 H new ATOM 0 H8 G A 2 6.718 -2.545 6.086 1.00 0.00 H new ATOM 0 H1 G A 2 4.241 2.883 3.698 1.00 0.00 H new ATOM 0 H21 G A 2 7.552 3.967 3.579 1.00 0.00 H new ATOM 0 H22 G A 2 5.850 4.337 3.282 1.00 0.00 H new ATOM 67 P A A 3 9.119 0.474 10.128 1.00 0.00 P ATOM 68 OP1 A A 3 10.093 0.727 11.213 1.00 0.00 O ATOM 69 OP2 A A 3 7.801 -0.115 10.451 1.00 0.00 O ATOM 70 O5' A A 3 8.865 1.865 9.350 1.00 0.00 O ATOM 71 C5' A A 3 9.941 2.710 9.009 1.00 0.00 C ATOM 72 C4' A A 3 9.422 3.936 8.252 1.00 0.00 C ATOM 73 O4' A A 3 8.682 3.553 7.089 1.00 0.00 O ATOM 74 C3' A A 3 8.471 4.797 9.059 1.00 0.00 C ATOM 75 O3' A A 3 9.150 5.652 9.957 1.00 0.00 O ATOM 76 C2' A A 3 7.784 5.575 7.972 1.00 0.00 C ATOM 77 O2' A A 3 8.634 6.604 7.505 1.00 0.00 O ATOM 78 C1' A A 3 7.631 4.517 6.886 1.00 0.00 C ATOM 79 N9 A A 3 6.307 3.859 7.010 1.00 0.00 N ATOM 80 C8 A A 3 6.006 2.580 7.410 1.00 0.00 C ATOM 81 N7 A A 3 4.736 2.292 7.352 1.00 0.00 N ATOM 82 C5 A A 3 4.148 3.466 6.899 1.00 0.00 C ATOM 83 C6 A A 3 2.813 3.821 6.634 1.00 0.00 C ATOM 84 N6 A A 3 1.786 2.976 6.780 1.00 0.00 N ATOM 85 N1 A A 3 2.572 5.081 6.226 1.00 0.00 N ATOM 86 C2 A A 3 3.594 5.920 6.082 1.00 0.00 C ATOM 87 N3 A A 3 4.887 5.703 6.284 1.00 0.00 N ATOM 88 C4 A A 3 5.096 4.433 6.701 1.00 0.00 C ATOM 0 H5' A A 3 10.659 2.168 8.393 1.00 0.00 H new ATOM 0 H5'' A A 3 10.468 3.024 9.910 1.00 0.00 H new ATOM 0 H4' A A 3 10.325 4.497 8.012 1.00 0.00 H new ATOM 0 H3' A A 3 7.800 4.225 9.699 1.00 0.00 H new ATOM 0 H2' A A 3 6.852 6.046 8.283 1.00 0.00 H new ATOM 0 HO2' A A 3 9.221 6.899 8.232 1.00 0.00 H new ATOM 0 H1' A A 3 7.697 4.961 5.893 1.00 0.00 H new ATOM 0 H8 A A 3 6.754 1.876 7.743 1.00 0.00 H new ATOM 0 H61 A A 3 0.837 3.287 6.573 1.00 0.00 H new ATOM 0 H62 A A 3 1.952 2.021 7.098 1.00 0.00 H new ATOM 0 H2 A A 3 3.335 6.916 5.755 1.00 0.00 H new ATOM 100 P U A 4 8.782 5.659 11.518 1.00 0.00 P ATOM 101 OP1 U A 4 9.761 6.510 12.230 1.00 0.00 O ATOM 102 OP2 U A 4 8.553 4.265 11.955 1.00 0.00 O ATOM 103 O5' U A 4 7.370 6.427 11.480 1.00 0.00 O ATOM 104 C5' U A 4 7.315 7.803 11.163 1.00 0.00 C ATOM 105 C4' U A 4 5.868 8.223 10.902 1.00 0.00 C ATOM 106 O4' U A 4 5.338 7.539 9.769 1.00 0.00 O ATOM 107 C3' U A 4 4.937 7.884 12.045 1.00 0.00 C ATOM 108 O3' U A 4 5.048 8.803 13.117 1.00 0.00 O ATOM 109 C2' U A 4 3.606 7.984 11.338 1.00 0.00 C ATOM 110 O2' U A 4 3.260 9.342 11.168 1.00 0.00 O ATOM 111 C1' U A 4 3.926 7.390 9.964 1.00 0.00 C ATOM 112 N1 U A 4 3.548 5.956 9.928 1.00 0.00 N ATOM 113 C2 U A 4 2.213 5.665 9.697 1.00 0.00 C ATOM 114 O2 U A 4 1.378 6.549 9.525 1.00 0.00 O ATOM 115 N3 U A 4 1.870 4.322 9.670 1.00 0.00 N ATOM 116 C4 U A 4 2.739 3.259 9.863 1.00 0.00 C ATOM 117 O4 U A 4 2.327 2.102 9.831 1.00 0.00 O ATOM 118 C5 U A 4 4.116 3.653 10.084 1.00 0.00 C ATOM 119 C6 U A 4 4.473 4.959 10.106 1.00 0.00 C ATOM 0 H5' U A 4 7.926 8.006 10.283 1.00 0.00 H new ATOM 0 H5'' U A 4 7.730 8.390 11.982 1.00 0.00 H new ATOM 0 H4' U A 4 5.913 9.302 10.757 1.00 0.00 H new ATOM 0 H3' U A 4 5.129 6.923 12.523 1.00 0.00 H new ATOM 0 H2' U A 4 2.790 7.494 11.869 1.00 0.00 H new ATOM 0 HO2' U A 4 2.397 9.405 10.708 1.00 0.00 H new ATOM 0 H1' U A 4 3.369 7.897 9.176 1.00 0.00 H new ATOM 0 H3 U A 4 0.891 4.096 9.492 1.00 0.00 H new ATOM 0 H5 U A 4 4.869 2.893 10.233 1.00 0.00 H new ATOM 0 H6 U A 4 5.508 5.221 10.267 1.00 0.00 H new ATOM 130 P G A 5 4.281 8.541 14.512 1.00 0.00 P ATOM 131 OP1 G A 5 4.689 9.594 15.468 1.00 0.00 O ATOM 132 OP2 G A 5 4.459 7.116 14.870 1.00 0.00 O ATOM 133 O5' G A 5 2.731 8.774 14.142 1.00 0.00 O ATOM 134 C5' G A 5 2.215 10.078 13.959 1.00 0.00 C ATOM 135 C4' G A 5 0.728 9.988 13.610 1.00 0.00 C ATOM 136 O4' G A 5 0.521 9.235 12.420 1.00 0.00 O ATOM 137 C3' G A 5 -0.058 9.250 14.675 1.00 0.00 C ATOM 138 O3' G A 5 -0.342 10.066 15.800 1.00 0.00 O ATOM 139 C2' G A 5 -1.306 8.900 13.904 1.00 0.00 C ATOM 140 O2' G A 5 -2.197 9.996 13.908 1.00 0.00 O ATOM 141 C1' G A 5 -0.797 8.678 12.485 1.00 0.00 C ATOM 142 N9 G A 5 -0.772 7.232 12.201 1.00 0.00 N ATOM 143 C8 G A 5 0.270 6.355 12.298 1.00 0.00 C ATOM 144 N7 G A 5 -0.041 5.122 12.002 1.00 0.00 N ATOM 145 C5 G A 5 -1.397 5.186 11.693 1.00 0.00 C ATOM 146 C6 G A 5 -2.304 4.154 11.303 1.00 0.00 C ATOM 147 O6 G A 5 -2.082 2.957 11.130 1.00 0.00 O ATOM 148 N1 G A 5 -3.583 4.650 11.113 1.00 0.00 N ATOM 149 C2 G A 5 -3.959 5.965 11.263 1.00 0.00 C ATOM 150 N2 G A 5 -5.244 6.249 11.028 1.00 0.00 N ATOM 151 N3 G A 5 -3.115 6.937 11.621 1.00 0.00 N ATOM 152 C4 G A 5 -1.853 6.476 11.820 1.00 0.00 C ATOM 0 H5' G A 5 2.757 10.588 13.163 1.00 0.00 H new ATOM 0 H5'' G A 5 2.353 10.667 14.866 1.00 0.00 H new ATOM 0 H4' G A 5 0.396 11.021 13.508 1.00 0.00 H new ATOM 0 H3' G A 5 0.465 8.397 15.107 1.00 0.00 H new ATOM 0 H2' G A 5 -1.834 8.042 14.319 1.00 0.00 H new ATOM 0 HO2' G A 5 -1.870 10.682 14.527 1.00 0.00 H new ATOM 0 H1' G A 5 -1.440 9.154 11.745 1.00 0.00 H new ATOM 0 H8 G A 5 1.264 6.655 12.594 1.00 0.00 H new ATOM 0 H1 G A 5 -4.306 3.985 10.839 1.00 0.00 H new ATOM 0 H21 G A 5 -5.580 7.207 11.124 1.00 0.00 H new ATOM 0 H22 G A 5 -5.888 5.507 10.753 1.00 0.00 H new ATOM 164 P U A 6 -0.863 9.415 17.189 1.00 0.00 P ATOM 165 OP1 U A 6 -1.004 10.506 18.180 1.00 0.00 O ATOM 166 OP2 U A 6 0.005 8.257 17.497 1.00 0.00 O ATOM 167 O5' U A 6 -2.341 8.852 16.855 1.00 0.00 O ATOM 168 C5' U A 6 -3.470 9.704 16.850 1.00 0.00 C ATOM 169 C4' U A 6 -4.748 8.883 16.603 1.00 0.00 C ATOM 170 O4' U A 6 -4.748 8.272 15.306 1.00 0.00 O ATOM 171 C3' U A 6 -4.906 7.730 17.583 1.00 0.00 C ATOM 172 O3' U A 6 -5.404 8.123 18.845 1.00 0.00 O ATOM 173 C2' U A 6 -5.913 6.893 16.840 1.00 0.00 C ATOM 174 O2' U A 6 -7.192 7.489 16.922 1.00 0.00 O ATOM 175 C1' U A 6 -5.423 7.000 15.409 1.00 0.00 C ATOM 176 N1 U A 6 -4.482 5.896 15.092 1.00 0.00 N ATOM 177 C2 U A 6 -5.011 4.738 14.539 1.00 0.00 C ATOM 178 O2 U A 6 -6.218 4.586 14.361 1.00 0.00 O ATOM 179 N3 U A 6 -4.100 3.754 14.196 1.00 0.00 N ATOM 180 C4 U A 6 -2.726 3.824 14.354 1.00 0.00 C ATOM 181 O4 U A 6 -2.012 2.878 14.033 1.00 0.00 O ATOM 182 C5 U A 6 -2.261 5.073 14.915 1.00 0.00 C ATOM 183 C6 U A 6 -3.134 6.043 15.266 1.00 0.00 C ATOM 0 H5' U A 6 -3.360 10.463 16.075 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.544 10.229 17.802 1.00 0.00 H new ATOM 0 H4' U A 6 -5.556 9.606 16.714 1.00 0.00 H new ATOM 0 H3' U A 6 -3.966 7.238 17.833 1.00 0.00 H new ATOM 0 H2' U A 6 -5.998 5.875 17.221 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.193 8.166 17.631 1.00 0.00 H new ATOM 0 H1' U A 6 -6.253 6.929 14.706 1.00 0.00 H new ATOM 0 H3 U A 6 -4.476 2.898 13.789 1.00 0.00 H new ATOM 0 H5 U A 6 -1.202 5.233 15.055 1.00 0.00 H new ATOM 0 H6 U A 6 -2.757 6.959 15.696 1.00 0.00 H new ATOM 194 P C A 7 -5.350 7.102 20.102 1.00 0.00 P ATOM 195 OP1 C A 7 -6.052 7.737 21.239 1.00 0.00 O ATOM 196 OP2 C A 7 -3.948 6.659 20.263 1.00 0.00 O ATOM 197 O5' C A 7 -6.223 5.824 19.622 1.00 0.00 O ATOM 198 C5' C A 7 -7.636 5.864 19.617 1.00 0.00 C ATOM 199 C4' C A 7 -8.202 4.507 19.171 1.00 0.00 C ATOM 200 O4' C A 7 -7.779 4.148 17.851 1.00 0.00 O ATOM 201 C3' C A 7 -7.729 3.368 20.049 1.00 0.00 C ATOM 202 O3' C A 7 -8.406 3.327 21.292 1.00 0.00 O ATOM 203 C2' C A 7 -8.083 2.189 19.171 1.00 0.00 C ATOM 204 O2' C A 7 -9.472 1.943 19.238 1.00 0.00 O ATOM 205 C1' C A 7 -7.745 2.706 17.772 1.00 0.00 C ATOM 206 N1 C A 7 -6.399 2.220 17.360 1.00 0.00 N ATOM 207 C2 C A 7 -6.290 0.882 16.988 1.00 0.00 C ATOM 208 O2 C A 7 -7.280 0.155 16.990 1.00 0.00 O ATOM 209 N3 C A 7 -5.065 0.409 16.624 1.00 0.00 N ATOM 210 C4 C A 7 -3.990 1.209 16.629 1.00 0.00 C ATOM 211 N4 C A 7 -2.808 0.707 16.260 1.00 0.00 N ATOM 212 C5 C A 7 -4.086 2.586 17.006 1.00 0.00 C ATOM 213 C6 C A 7 -5.307 3.045 17.355 1.00 0.00 C ATOM 0 H5' C A 7 -7.983 6.650 18.946 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.004 6.110 20.613 1.00 0.00 H new ATOM 0 H4' C A 7 -9.282 4.640 19.228 1.00 0.00 H new ATOM 0 H3' C A 7 -6.680 3.426 20.339 1.00 0.00 H new ATOM 0 H2' C A 7 -7.568 1.270 19.450 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.867 2.489 19.949 1.00 0.00 H new ATOM 0 H1' C A 7 -8.454 2.347 17.026 1.00 0.00 H new ATOM 0 H41 C A 7 -1.979 1.302 16.258 1.00 0.00 H new ATOM 0 H42 C A 7 -2.734 -0.271 15.980 1.00 0.00 H new ATOM 0 H5 C A 7 -3.219 3.230 17.011 1.00 0.00 H new ATOM 0 H6 C A 7 -5.424 4.081 17.635 1.00 0.00 H new ATOM 225 P C A 8 -7.854 2.410 22.501 1.00 0.00 P ATOM 226 OP1 C A 8 -8.777 2.557 23.649 1.00 0.00 O ATOM 227 OP2 C A 8 -6.415 2.705 22.675 1.00 0.00 O ATOM 228 O5' C A 8 -7.987 0.903 21.944 1.00 0.00 O ATOM 229 C5' C A 8 -9.234 0.240 21.917 1.00 0.00 C ATOM 230 C4' C A 8 -9.036 -1.185 21.394 1.00 0.00 C ATOM 231 O4' C A 8 -8.529 -1.191 20.067 1.00 0.00 O ATOM 232 C3' C A 8 -8.000 -1.944 22.191 1.00 0.00 C ATOM 233 O3' C A 8 -8.489 -2.398 23.434 1.00 0.00 O ATOM 234 C2' C A 8 -7.698 -3.079 21.265 1.00 0.00 C ATOM 235 O2' C A 8 -8.717 -4.053 21.354 1.00 0.00 O ATOM 236 C1' C A 8 -7.759 -2.394 19.905 1.00 0.00 C ATOM 237 N1 C A 8 -6.377 -2.077 19.477 1.00 0.00 N ATOM 238 C2 C A 8 -5.653 -3.083 18.845 1.00 0.00 C ATOM 239 O2 C A 8 -6.185 -4.161 18.585 1.00 0.00 O ATOM 240 N3 C A 8 -4.350 -2.841 18.533 1.00 0.00 N ATOM 241 C4 C A 8 -3.776 -1.670 18.841 1.00 0.00 C ATOM 242 N4 C A 8 -2.496 -1.471 18.514 1.00 0.00 N ATOM 243 C5 C A 8 -4.505 -0.638 19.516 1.00 0.00 C ATOM 244 C6 C A 8 -5.796 -0.887 19.807 1.00 0.00 C ATOM 0 H5' C A 8 -9.933 0.781 21.279 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.668 0.216 22.916 1.00 0.00 H new ATOM 0 H4' C A 8 -10.022 -1.644 21.464 1.00 0.00 H new ATOM 0 H3' C A 8 -7.135 -1.341 22.468 1.00 0.00 H new ATOM 0 H2' C A 8 -6.756 -3.586 21.471 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.181 -3.964 22.213 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.781 -2.883 23.907 1.00 0.00 H new ATOM 0 H1' C A 8 -8.221 -3.029 19.149 1.00 0.00 H new ATOM 0 H41 C A 8 -2.043 -0.586 18.741 1.00 0.00 H new ATOM 0 H42 C A 8 -1.971 -2.205 18.037 1.00 0.00 H new ATOM 0 H5 C A 8 -4.039 0.300 19.780 1.00 0.00 H new ATOM 0 H6 C A 8 -6.382 -0.132 20.310 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 2.540 -9.229 13.732 1.00 0.00 O ATOM 259 C5' G B 9 1.999 -10.531 13.657 1.00 0.00 C ATOM 260 C4' G B 9 0.563 -10.531 14.186 1.00 0.00 C ATOM 261 O4' G B 9 0.513 -10.142 15.558 1.00 0.00 O ATOM 262 C3' G B 9 -0.326 -9.542 13.460 1.00 0.00 C ATOM 263 O3' G B 9 -0.732 -10.005 12.183 1.00 0.00 O ATOM 264 C2' G B 9 -1.472 -9.472 14.439 1.00 0.00 C ATOM 265 O2' G B 9 -2.232 -10.659 14.364 1.00 0.00 O ATOM 266 C1' G B 9 -0.729 -9.451 15.774 1.00 0.00 C ATOM 267 N9 G B 9 -0.456 -8.051 16.165 1.00 0.00 N ATOM 268 C8 G B 9 0.728 -7.360 16.127 1.00 0.00 C ATOM 269 N7 G B 9 0.635 -6.125 16.534 1.00 0.00 N ATOM 270 C5 G B 9 -0.709 -5.982 16.865 1.00 0.00 C ATOM 271 C6 G B 9 -1.412 -4.847 17.367 1.00 0.00 C ATOM 272 O6 G B 9 -0.971 -3.728 17.619 1.00 0.00 O ATOM 273 N1 G B 9 -2.758 -5.127 17.572 1.00 0.00 N ATOM 274 C2 G B 9 -3.359 -6.343 17.323 1.00 0.00 C ATOM 275 N2 G B 9 -4.670 -6.428 17.571 1.00 0.00 N ATOM 276 N3 G B 9 -2.704 -7.410 16.850 1.00 0.00 N ATOM 277 C4 G B 9 -1.385 -7.158 16.645 1.00 0.00 C ATOM 0 H5' G B 9 2.610 -11.222 14.238 1.00 0.00 H new ATOM 0 H5'' G B 9 2.015 -10.882 12.625 1.00 0.00 H new ATOM 0 H4' G B 9 0.214 -11.552 14.035 1.00 0.00 H new ATOM 0 H3' G B 9 0.144 -8.587 13.227 1.00 0.00 H new ATOM 0 H2' G B 9 -2.150 -8.635 14.274 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.044 -11.115 13.517 1.00 0.00 H new ATOM 0 HO5' G B 9 3.460 -9.237 13.393 1.00 0.00 H new ATOM 0 H1' G B 9 -1.314 -9.921 16.564 1.00 0.00 H new ATOM 0 H8 G B 9 1.655 -7.800 15.790 1.00 0.00 H new ATOM 0 H1 G B 9 -3.346 -4.376 17.934 1.00 0.00 H new ATOM 0 H21 G B 9 -5.165 -7.304 17.404 1.00 0.00 H new ATOM 0 H22 G B 9 -5.175 -5.617 17.927 1.00 0.00 H new ATOM 290 P G B 10 -1.351 -8.984 11.088 1.00 0.00 P ATOM 291 OP1 G B 10 -1.614 -9.747 9.848 1.00 0.00 O ATOM 292 OP2 G B 10 -0.480 -7.788 11.042 1.00 0.00 O ATOM 293 O5' G B 10 -2.770 -8.544 11.714 1.00 0.00 O ATOM 294 C5' G B 10 -3.892 -9.399 11.644 1.00 0.00 C ATOM 295 C4' G B 10 -5.088 -8.738 12.333 1.00 0.00 C ATOM 296 O4' G B 10 -4.777 -8.377 13.682 1.00 0.00 O ATOM 297 C3' G B 10 -5.517 -7.447 11.664 1.00 0.00 C ATOM 298 O3' G B 10 -6.273 -7.664 10.486 1.00 0.00 O ATOM 299 C2' G B 10 -6.349 -6.850 12.776 1.00 0.00 C ATOM 300 O2' G B 10 -7.577 -7.539 12.897 1.00 0.00 O ATOM 301 C1' G B 10 -5.484 -7.163 13.991 1.00 0.00 C ATOM 302 N9 G B 10 -4.524 -6.053 14.195 1.00 0.00 N ATOM 303 C8 G B 10 -3.184 -6.002 13.902 1.00 0.00 C ATOM 304 N7 G B 10 -2.621 -4.862 14.185 1.00 0.00 N ATOM 305 C5 G B 10 -3.660 -4.093 14.698 1.00 0.00 C ATOM 306 C6 G B 10 -3.654 -2.749 15.172 1.00 0.00 C ATOM 307 O6 G B 10 -2.706 -1.970 15.239 1.00 0.00 O ATOM 308 N1 G B 10 -4.917 -2.347 15.589 1.00 0.00 N ATOM 309 C2 G B 10 -6.046 -3.137 15.564 1.00 0.00 C ATOM 310 N2 G B 10 -7.179 -2.581 16.006 1.00 0.00 N ATOM 311 N3 G B 10 -6.055 -4.401 15.124 1.00 0.00 N ATOM 312 C4 G B 10 -4.831 -4.812 14.706 1.00 0.00 C ATOM 0 H5' G B 10 -3.666 -10.352 12.122 1.00 0.00 H new ATOM 0 H5'' G B 10 -4.133 -9.614 10.603 1.00 0.00 H new ATOM 0 H4' G B 10 -5.882 -9.483 12.276 1.00 0.00 H new ATOM 0 H3' G B 10 -4.697 -6.822 11.310 1.00 0.00 H new ATOM 0 H2' G B 10 -6.590 -5.797 12.633 1.00 0.00 H new ATOM 0 HO2' G B 10 -8.104 -7.143 13.622 1.00 0.00 H new ATOM 0 H1' G B 10 -6.077 -7.278 14.898 1.00 0.00 H new ATOM 0 H8 G B 10 -2.644 -6.834 13.474 1.00 0.00 H new ATOM 0 H1 G B 10 -5.016 -1.395 15.940 1.00 0.00 H new ATOM 0 H21 G B 10 -8.044 -3.121 16.010 1.00 0.00 H new ATOM 0 H22 G B 10 -7.178 -1.617 16.340 1.00 0.00 H new ATOM 324 P A B 11 -6.499 -6.472 9.409 1.00 0.00 P ATOM 325 OP1 A B 11 -7.341 -7.001 8.313 1.00 0.00 O ATOM 326 OP2 A B 11 -5.178 -5.884 9.099 1.00 0.00 O ATOM 327 O5' A B 11 -7.359 -5.367 10.211 1.00 0.00 O ATOM 328 C5' A B 11 -8.709 -5.605 10.545 1.00 0.00 C ATOM 329 C4' A B 11 -9.269 -4.415 11.330 1.00 0.00 C ATOM 330 O4' A B 11 -8.488 -4.151 12.499 1.00 0.00 O ATOM 331 C3' A B 11 -9.267 -3.114 10.553 1.00 0.00 C ATOM 332 O3' A B 11 -10.358 -3.020 9.659 1.00 0.00 O ATOM 333 C2' A B 11 -9.380 -2.107 11.664 1.00 0.00 C ATOM 334 O2' A B 11 -10.711 -2.057 12.137 1.00 0.00 O ATOM 335 C1' A B 11 -8.489 -2.730 12.732 1.00 0.00 C ATOM 336 N9 A B 11 -7.111 -2.195 12.610 1.00 0.00 N ATOM 337 C8 A B 11 -5.968 -2.827 12.185 1.00 0.00 C ATOM 338 N7 A B 11 -4.897 -2.086 12.250 1.00 0.00 N ATOM 339 C5 A B 11 -5.363 -0.870 12.736 1.00 0.00 C ATOM 340 C6 A B 11 -4.721 0.348 13.025 1.00 0.00 C ATOM 341 N6 A B 11 -3.406 0.539 12.872 1.00 0.00 N ATOM 342 N1 A B 11 -5.484 1.365 13.464 1.00 0.00 N ATOM 343 C2 A B 11 -6.792 1.174 13.616 1.00 0.00 C ATOM 344 N3 A B 11 -7.507 0.079 13.395 1.00 0.00 N ATOM 345 C4 A B 11 -6.714 -0.923 12.946 1.00 0.00 C ATOM 0 H5' A B 11 -8.791 -6.515 11.140 1.00 0.00 H new ATOM 0 H5'' A B 11 -9.295 -5.762 9.639 1.00 0.00 H new ATOM 0 H4' A B 11 -10.291 -4.713 11.563 1.00 0.00 H new ATOM 0 H3' A B 11 -8.393 -2.988 9.915 1.00 0.00 H new ATOM 0 H2' A B 11 -9.106 -1.092 11.375 1.00 0.00 H new ATOM 0 HO2' A B 11 -11.320 -2.369 11.435 1.00 0.00 H new ATOM 0 H1' A B 11 -8.855 -2.500 13.733 1.00 0.00 H new ATOM 0 H8 A B 11 -5.957 -3.847 11.829 1.00 0.00 H new ATOM 0 H61 A B 11 -2.992 1.444 13.097 1.00 0.00 H new ATOM 0 H62 A B 11 -2.817 -0.220 12.530 1.00 0.00 H new ATOM 0 H2 A B 11 -7.349 2.030 13.968 1.00 0.00 H new ATOM 357 P U B 12 -10.117 -2.695 8.106 1.00 0.00 P ATOM 358 OP1 U B 12 -11.405 -2.837 7.389 1.00 0.00 O ATOM 359 OP2 U B 12 -8.925 -3.440 7.646 1.00 0.00 O ATOM 360 O5' U B 12 -9.749 -1.132 8.189 1.00 0.00 O ATOM 361 C5' U B 12 -10.737 -0.185 8.543 1.00 0.00 C ATOM 362 C4' U B 12 -10.087 1.166 8.839 1.00 0.00 C ATOM 363 O4' U B 12 -9.210 1.075 9.959 1.00 0.00 O ATOM 364 C3' U B 12 -9.232 1.676 7.698 1.00 0.00 C ATOM 365 O3' U B 12 -10.012 2.248 6.663 1.00 0.00 O ATOM 366 C2' U B 12 -8.399 2.706 8.426 1.00 0.00 C ATOM 367 O2' U B 12 -9.164 3.873 8.644 1.00 0.00 O ATOM 368 C1' U B 12 -8.155 2.029 9.777 1.00 0.00 C ATOM 369 N1 U B 12 -6.837 1.347 9.777 1.00 0.00 N ATOM 370 C2 U B 12 -5.723 2.136 10.015 1.00 0.00 C ATOM 371 O2 U B 12 -5.816 3.344 10.221 1.00 0.00 O ATOM 372 N3 U B 12 -4.497 1.490 10.009 1.00 0.00 N ATOM 373 C4 U B 12 -4.293 0.139 9.780 1.00 0.00 C ATOM 374 O4 U B 12 -3.159 -0.332 9.785 1.00 0.00 O ATOM 375 C5 U B 12 -5.511 -0.613 9.555 1.00 0.00 C ATOM 376 C6 U B 12 -6.720 -0.003 9.562 1.00 0.00 C ATOM 0 H5' U B 12 -11.288 -0.532 9.417 1.00 0.00 H new ATOM 0 H5'' U B 12 -11.459 -0.080 7.733 1.00 0.00 H new ATOM 0 H4' U B 12 -10.923 1.843 9.018 1.00 0.00 H new ATOM 0 H3' U B 12 -8.654 0.910 7.181 1.00 0.00 H new ATOM 0 H2' U B 12 -7.496 2.994 7.888 1.00 0.00 H new ATOM 0 HO2' U B 12 -8.620 4.537 9.117 1.00 0.00 H new ATOM 0 H1' U B 12 -8.148 2.760 10.586 1.00 0.00 H new ATOM 0 H3 U B 12 -3.671 2.060 10.189 1.00 0.00 H new ATOM 0 H5 U B 12 -5.454 -1.677 9.379 1.00 0.00 H new ATOM 0 H6 U B 12 -7.610 -0.591 9.395 1.00 0.00 H new ATOM 387 P G B 13 -9.337 2.682 5.263 1.00 0.00 P ATOM 388 OP1 G B 13 -10.414 3.131 4.353 1.00 0.00 O ATOM 389 OP2 G B 13 -8.424 1.598 4.841 1.00 0.00 O ATOM 390 O5' G B 13 -8.445 3.965 5.652 1.00 0.00 O ATOM 391 C5' G B 13 -9.044 5.225 5.888 1.00 0.00 C ATOM 392 C4' G B 13 -7.955 6.242 6.236 1.00 0.00 C ATOM 393 O4' G B 13 -7.234 5.849 7.397 1.00 0.00 O ATOM 394 C3' G B 13 -6.907 6.341 5.148 1.00 0.00 C ATOM 395 O3' G B 13 -7.341 7.124 4.045 1.00 0.00 O ATOM 396 C2' G B 13 -5.787 7.005 5.909 1.00 0.00 C ATOM 397 O2' G B 13 -6.001 8.399 5.948 1.00 0.00 O ATOM 398 C1' G B 13 -5.936 6.448 7.319 1.00 0.00 C ATOM 399 N9 G B 13 -4.880 5.449 7.560 1.00 0.00 N ATOM 400 C8 G B 13 -4.942 4.090 7.445 1.00 0.00 C ATOM 401 N7 G B 13 -3.817 3.481 7.706 1.00 0.00 N ATOM 402 C5 G B 13 -2.940 4.518 8.009 1.00 0.00 C ATOM 403 C6 G B 13 -1.558 4.484 8.369 1.00 0.00 C ATOM 404 O6 G B 13 -0.823 3.509 8.516 1.00 0.00 O ATOM 405 N1 G B 13 -1.053 5.760 8.560 1.00 0.00 N ATOM 406 C2 G B 13 -1.770 6.927 8.441 1.00 0.00 C ATOM 407 N2 G B 13 -1.106 8.063 8.675 1.00 0.00 N ATOM 408 N3 G B 13 -3.065 6.967 8.115 1.00 0.00 N ATOM 409 C4 G B 13 -3.583 5.729 7.912 1.00 0.00 C ATOM 0 H5' G B 13 -9.764 5.152 6.703 1.00 0.00 H new ATOM 0 H5'' G B 13 -9.594 5.551 5.005 1.00 0.00 H new ATOM 0 H4' G B 13 -8.481 7.186 6.376 1.00 0.00 H new ATOM 0 H3' G B 13 -6.645 5.388 4.688 1.00 0.00 H new ATOM 0 H2' G B 13 -4.807 6.825 5.466 1.00 0.00 H new ATOM 0 HO2' G B 13 -6.664 8.647 5.270 1.00 0.00 H new ATOM 0 H1' G B 13 -5.838 7.228 8.074 1.00 0.00 H new ATOM 0 H8 G B 13 -5.843 3.565 7.163 1.00 0.00 H new ATOM 0 H1 G B 13 -0.067 5.840 8.810 1.00 0.00 H new ATOM 0 H21 G B 13 -1.587 8.959 8.601 1.00 0.00 H new ATOM 0 H22 G B 13 -0.118 8.034 8.927 1.00 0.00 H new ATOM 421 P U B 14 -6.559 7.075 2.626 1.00 0.00 P ATOM 422 OP1 U B 14 -7.311 7.908 1.662 1.00 0.00 O ATOM 423 OP2 U B 14 -6.289 5.655 2.310 1.00 0.00 O ATOM 424 O5' U B 14 -5.141 7.798 2.910 1.00 0.00 O ATOM 425 C5' U B 14 -5.000 9.204 2.827 1.00 0.00 C ATOM 426 C4' U B 14 -3.530 9.594 3.054 1.00 0.00 C ATOM 427 O4' U B 14 -3.065 9.192 4.349 1.00 0.00 O ATOM 428 C3' U B 14 -2.588 8.922 2.070 1.00 0.00 C ATOM 429 O3' U B 14 -2.561 9.543 0.801 1.00 0.00 O ATOM 430 C2' U B 14 -1.281 9.107 2.793 1.00 0.00 C ATOM 431 O2' U B 14 -0.858 10.452 2.691 1.00 0.00 O ATOM 432 C1' U B 14 -1.671 8.833 4.232 1.00 0.00 C ATOM 433 N1 U B 14 -1.478 7.398 4.564 1.00 0.00 N ATOM 434 C2 U B 14 -0.250 7.019 5.090 1.00 0.00 C ATOM 435 O2 U B 14 0.674 7.815 5.242 1.00 0.00 O ATOM 436 N3 U B 14 -0.119 5.685 5.436 1.00 0.00 N ATOM 437 C4 U B 14 -1.092 4.709 5.302 1.00 0.00 C ATOM 438 O4 U B 14 -0.858 3.546 5.619 1.00 0.00 O ATOM 439 C5 U B 14 -2.345 5.196 4.769 1.00 0.00 C ATOM 440 C6 U B 14 -2.493 6.493 4.418 1.00 0.00 C ATOM 0 H5' U B 14 -5.633 9.687 3.571 1.00 0.00 H new ATOM 0 H5'' U B 14 -5.332 9.555 1.850 1.00 0.00 H new ATOM 0 H4' U B 14 -3.517 10.677 2.934 1.00 0.00 H new ATOM 0 H3' U B 14 -2.862 7.894 1.834 1.00 0.00 H new ATOM 0 H2' U B 14 -0.478 8.478 2.408 1.00 0.00 H new ATOM 0 HO2' U B 14 -1.378 10.907 1.996 1.00 0.00 H new ATOM 0 H1' U B 14 -1.053 9.407 4.922 1.00 0.00 H new ATOM 0 H3 U B 14 0.778 5.394 5.826 1.00 0.00 H new ATOM 0 H5 U B 14 -3.174 4.514 4.650 1.00 0.00 H new ATOM 0 H6 U B 14 -3.438 6.823 4.012 1.00 0.00 H new ATOM 451 P C B 15 -1.859 8.807 -0.459 1.00 0.00 P ATOM 452 OP1 C B 15 -1.876 9.742 -1.605 1.00 0.00 O ATOM 453 OP2 C B 15 -2.472 7.468 -0.597 1.00 0.00 O ATOM 454 O5' C B 15 -0.319 8.603 0.001 1.00 0.00 O ATOM 455 C5' C B 15 0.600 9.678 -0.020 1.00 0.00 C ATOM 456 C4' C B 15 1.992 9.188 0.407 1.00 0.00 C ATOM 457 O4' C B 15 1.996 8.650 1.734 1.00 0.00 O ATOM 458 C3' C B 15 2.495 8.060 -0.465 1.00 0.00 C ATOM 459 O3' C B 15 2.947 8.512 -1.728 1.00 0.00 O ATOM 460 C2' C B 15 3.626 7.547 0.396 1.00 0.00 C ATOM 461 O2' C B 15 4.730 8.422 0.298 1.00 0.00 O ATOM 462 C1' C B 15 3.042 7.657 1.806 1.00 0.00 C ATOM 463 N1 C B 15 2.503 6.339 2.239 1.00 0.00 N ATOM 464 C2 C B 15 3.426 5.366 2.615 1.00 0.00 C ATOM 465 O2 C B 15 4.630 5.612 2.596 1.00 0.00 O ATOM 466 N3 C B 15 2.958 4.145 3.000 1.00 0.00 N ATOM 467 C4 C B 15 1.644 3.884 3.010 1.00 0.00 C ATOM 468 N4 C B 15 1.227 2.676 3.398 1.00 0.00 N ATOM 469 C5 C B 15 0.684 4.874 2.629 1.00 0.00 C ATOM 470 C6 C B 15 1.159 6.083 2.260 1.00 0.00 C ATOM 0 H5' C B 15 0.263 10.469 0.650 1.00 0.00 H new ATOM 0 H5'' C B 15 0.648 10.107 -1.021 1.00 0.00 H new ATOM 0 H4' C B 15 2.622 10.074 0.328 1.00 0.00 H new ATOM 0 H3' C B 15 1.742 7.316 -0.726 1.00 0.00 H new ATOM 0 H2' C B 15 3.964 6.547 0.122 1.00 0.00 H new ATOM 0 HO2' C B 15 5.462 8.089 0.858 1.00 0.00 H new ATOM 0 H1' C B 15 3.798 7.946 2.536 1.00 0.00 H new ATOM 0 H41 C B 15 0.230 2.461 3.412 1.00 0.00 H new ATOM 0 H42 C B 15 1.905 1.969 3.681 1.00 0.00 H new ATOM 0 H5 C B 15 -0.375 4.663 2.636 1.00 0.00 H new ATOM 0 H6 C B 15 0.466 6.861 1.977 1.00 0.00 H new ATOM 482 P C B 16 3.238 7.468 -2.924 1.00 0.00 P ATOM 483 OP1 C B 16 3.703 8.233 -4.102 1.00 0.00 O ATOM 484 OP2 C B 16 2.063 6.577 -3.046 1.00 0.00 O ATOM 485 O5' C B 16 4.473 6.587 -2.381 1.00 0.00 O ATOM 486 C5' C B 16 5.792 7.092 -2.393 1.00 0.00 C ATOM 487 C4' C B 16 6.747 6.013 -1.875 1.00 0.00 C ATOM 488 O4' C B 16 6.447 5.647 -0.536 1.00 0.00 O ATOM 489 C3' C B 16 6.619 4.723 -2.653 1.00 0.00 C ATOM 490 O3' C B 16 7.259 4.776 -3.910 1.00 0.00 O ATOM 491 C2' C B 16 7.289 3.757 -1.726 1.00 0.00 C ATOM 492 O2' C B 16 8.691 3.871 -1.847 1.00 0.00 O ATOM 493 C1' C B 16 6.844 4.277 -0.364 1.00 0.00 C ATOM 494 N1 C B 16 5.703 3.456 0.102 1.00 0.00 N ATOM 495 C2 C B 16 5.993 2.260 0.752 1.00 0.00 C ATOM 496 O2 C B 16 7.157 1.952 0.996 1.00 0.00 O ATOM 497 N3 C B 16 4.956 1.448 1.101 1.00 0.00 N ATOM 498 C4 C B 16 3.692 1.787 0.813 1.00 0.00 C ATOM 499 N4 C B 16 2.704 0.963 1.176 1.00 0.00 N ATOM 500 C5 C B 16 3.385 3.003 0.123 1.00 0.00 C ATOM 501 C6 C B 16 4.419 3.801 -0.206 1.00 0.00 C ATOM 0 H5' C B 16 5.859 7.984 -1.770 1.00 0.00 H new ATOM 0 H5'' C B 16 6.072 7.388 -3.404 1.00 0.00 H new ATOM 0 H4' C B 16 7.740 6.452 -1.972 1.00 0.00 H new ATOM 0 H3' C B 16 5.590 4.467 -2.907 1.00 0.00 H new ATOM 0 H2' C B 16 7.041 2.712 -1.911 1.00 0.00 H new ATOM 0 HO2' C B 16 8.918 4.161 -2.755 1.00 0.00 H new ATOM 0 HO3' C B 16 7.148 3.918 -4.370 1.00 0.00 H new ATOM 0 H1' C B 16 7.643 4.216 0.375 1.00 0.00 H new ATOM 0 H41 C B 16 1.736 1.204 0.965 1.00 0.00 H new ATOM 0 H42 C B 16 2.919 0.093 1.664 1.00 0.00 H new ATOM 0 H5 C B 16 2.368 3.269 -0.123 1.00 0.00 H new ATOM 0 H6 C B 16 4.229 4.730 -0.723 1.00 0.00 H new TER 514 C B 16