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 -25:sc= 0.116 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot 180:sc= -0.227 USER MOD Single : A 3 G O2' : rot 180:sc= -0.33 USER MOD Single : A 4 G O2' : rot -27:sc= -0.309 USER MOD Single : A 5 U O2' : rot 180:sc= -0.324 USER MOD Single : A 6 C O2' : rot -19:sc= 0.0929 USER MOD Single : A 7 U O2' : rot 180:sc= -0.412 USER MOD Single : A 8 C O2' : rot -37:sc= 0.129 USER MOD Single : A 8 C O3' : rot 180:sc= 0.119 USER MOD Single : B 9 G O2' : rot 180:sc= -0.408 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 A O2' : rot 180:sc= -0.198 USER MOD Single : B 11 G O2' : rot 180:sc= -0.366 USER MOD Single : B 12 G O2' : rot -20:sc= -0.232 USER MOD Single : B 13 U O2' : rot 180:sc= -0.302 USER MOD Single : B 14 C O2' : rot 180:sc= -0.363 USER MOD Single : B 15 U O2' : rot 180:sc= -0.433 USER MOD Single : B 16 C O2' : rot -19:sc= 0.136 USER MOD Single : B 16 C O3' : rot 180:sc= 0.158 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.302 -8.890 4.275 1.00 0.00 O ATOM 2 C5' G A 1 6.665 -9.217 4.116 1.00 0.00 C ATOM 3 C4' G A 1 7.458 -7.973 3.708 1.00 0.00 C ATOM 4 O4' G A 1 6.994 -7.438 2.470 1.00 0.00 O ATOM 5 C3' G A 1 7.322 -6.835 4.699 1.00 0.00 C ATOM 6 O3' G A 1 8.098 -7.028 5.867 1.00 0.00 O ATOM 7 C2' G A 1 7.850 -5.708 3.851 1.00 0.00 C ATOM 8 O2' G A 1 9.253 -5.819 3.742 1.00 0.00 O ATOM 9 C1' G A 1 7.237 -6.022 2.492 1.00 0.00 C ATOM 10 N9 G A 1 5.963 -5.290 2.344 1.00 0.00 N ATOM 11 C8 G A 1 4.691 -5.709 2.626 1.00 0.00 C ATOM 12 N7 G A 1 3.771 -4.822 2.373 1.00 0.00 N ATOM 13 C5 G A 1 4.485 -3.727 1.898 1.00 0.00 C ATOM 14 C6 G A 1 4.023 -2.450 1.467 1.00 0.00 C ATOM 15 O6 G A 1 2.866 -2.040 1.401 1.00 0.00 O ATOM 16 N1 G A 1 5.077 -1.623 1.095 1.00 0.00 N ATOM 17 C2 G A 1 6.409 -1.979 1.121 1.00 0.00 C ATOM 18 N2 G A 1 7.288 -1.052 0.732 1.00 0.00 N ATOM 19 N3 G A 1 6.845 -3.181 1.512 1.00 0.00 N ATOM 20 C4 G A 1 5.831 -4.001 1.888 1.00 0.00 C ATOM 0 H5' G A 1 6.775 -9.993 3.359 1.00 0.00 H new ATOM 0 H5'' G A 1 7.061 -9.622 5.047 1.00 0.00 H new ATOM 0 H4' G A 1 8.490 -8.320 3.650 1.00 0.00 H new ATOM 0 H3' G A 1 6.317 -6.694 5.097 1.00 0.00 H new ATOM 0 H2' G A 1 7.619 -4.717 4.241 1.00 0.00 H new ATOM 0 HO2' G A 1 9.603 -6.315 4.511 1.00 0.00 H new ATOM 0 HO5' G A 1 4.801 -9.692 4.534 1.00 0.00 H new ATOM 0 H1' G A 1 7.897 -5.724 1.677 1.00 0.00 H new ATOM 0 H8 G A 1 4.469 -6.689 3.023 1.00 0.00 H new ATOM 0 H1 G A 1 4.847 -0.681 0.779 1.00 0.00 H new ATOM 0 H21 G A 1 8.286 -1.263 0.732 1.00 0.00 H new ATOM 0 H22 G A 1 6.961 -0.133 0.435 1.00 0.00 H new ATOM 33 P A A 2 7.828 -6.144 7.194 1.00 0.00 P ATOM 34 OP1 A A 2 8.808 -6.551 8.225 1.00 0.00 O ATOM 35 OP2 A A 2 6.380 -6.209 7.493 1.00 0.00 O ATOM 36 O5' A A 2 8.175 -4.636 6.740 1.00 0.00 O ATOM 37 C5' A A 2 9.513 -4.184 6.665 1.00 0.00 C ATOM 38 C4' A A 2 9.528 -2.722 6.216 1.00 0.00 C ATOM 39 O4' A A 2 8.865 -2.555 4.968 1.00 0.00 O ATOM 40 C3' A A 2 8.781 -1.823 7.174 1.00 0.00 C ATOM 41 O3' A A 2 9.531 -1.547 8.345 1.00 0.00 O ATOM 42 C2' A A 2 8.586 -0.604 6.311 1.00 0.00 C ATOM 43 O2' A A 2 9.790 0.134 6.240 1.00 0.00 O ATOM 44 C1' A A 2 8.310 -1.231 4.943 1.00 0.00 C ATOM 45 N9 A A 2 6.851 -1.289 4.699 1.00 0.00 N ATOM 46 C8 A A 2 5.988 -2.349 4.837 1.00 0.00 C ATOM 47 N7 A A 2 4.747 -2.061 4.552 1.00 0.00 N ATOM 48 C5 A A 2 4.789 -0.715 4.198 1.00 0.00 C ATOM 49 C6 A A 2 3.796 0.197 3.788 1.00 0.00 C ATOM 50 N6 A A 2 2.504 -0.129 3.663 1.00 0.00 N ATOM 51 N1 A A 2 4.181 1.457 3.510 1.00 0.00 N ATOM 52 C2 A A 2 5.465 1.781 3.634 1.00 0.00 C ATOM 53 N3 A A 2 6.486 1.022 4.010 1.00 0.00 N ATOM 54 C4 A A 2 6.068 -0.238 4.282 1.00 0.00 C ATOM 0 H5' A A 2 10.078 -4.798 5.963 1.00 0.00 H new ATOM 0 H5'' A A 2 9.997 -4.283 7.636 1.00 0.00 H new ATOM 0 H4' A A 2 10.584 -2.457 6.161 1.00 0.00 H new ATOM 0 H3' A A 2 7.857 -2.246 7.568 1.00 0.00 H new ATOM 0 H2' A A 2 7.810 0.072 6.671 1.00 0.00 H new ATOM 0 HO2' A A 2 9.656 0.925 5.676 1.00 0.00 H new ATOM 0 H1' A A 2 8.758 -0.641 4.144 1.00 0.00 H new ATOM 0 H8 A A 2 6.307 -3.331 5.153 1.00 0.00 H new ATOM 0 H61 A A 2 1.828 0.573 3.362 1.00 0.00 H new ATOM 0 H62 A A 2 2.196 -1.079 3.869 1.00 0.00 H new ATOM 0 H2 A A 2 5.711 2.805 3.395 1.00 0.00 H new ATOM 66 P G A 3 8.827 -0.914 9.655 1.00 0.00 P ATOM 67 OP1 G A 3 9.866 -0.736 10.694 1.00 0.00 O ATOM 68 OP2 G A 3 7.621 -1.716 9.956 1.00 0.00 O ATOM 69 O5' G A 3 8.348 0.544 9.174 1.00 0.00 O ATOM 70 C5' G A 3 9.269 1.606 9.023 1.00 0.00 C ATOM 71 C4' G A 3 8.517 2.834 8.512 1.00 0.00 C ATOM 72 O4' G A 3 7.872 2.548 7.277 1.00 0.00 O ATOM 73 C3' G A 3 7.414 3.263 9.442 1.00 0.00 C ATOM 74 O3' G A 3 7.910 3.980 10.562 1.00 0.00 O ATOM 75 C2' G A 3 6.628 4.151 8.504 1.00 0.00 C ATOM 76 O2' G A 3 7.260 5.407 8.379 1.00 0.00 O ATOM 77 C1' G A 3 6.743 3.415 7.172 1.00 0.00 C ATOM 78 N9 G A 3 5.508 2.643 6.946 1.00 0.00 N ATOM 79 C8 G A 3 5.260 1.310 7.148 1.00 0.00 C ATOM 80 N7 G A 3 4.028 0.958 6.897 1.00 0.00 N ATOM 81 C5 G A 3 3.415 2.146 6.505 1.00 0.00 C ATOM 82 C6 G A 3 2.067 2.403 6.114 1.00 0.00 C ATOM 83 O6 G A 3 1.134 1.609 6.025 1.00 0.00 O ATOM 84 N1 G A 3 1.870 3.746 5.813 1.00 0.00 N ATOM 85 C2 G A 3 2.844 4.720 5.870 1.00 0.00 C ATOM 86 N2 G A 3 2.481 5.961 5.536 1.00 0.00 N ATOM 87 N3 G A 3 4.106 4.482 6.229 1.00 0.00 N ATOM 88 C4 G A 3 4.318 3.179 6.534 1.00 0.00 C ATOM 0 H5' G A 3 10.057 1.327 8.324 1.00 0.00 H new ATOM 0 H5'' G A 3 9.751 1.827 9.975 1.00 0.00 H new ATOM 0 H4' G A 3 9.271 3.616 8.421 1.00 0.00 H new ATOM 0 H3' G A 3 6.847 2.449 9.895 1.00 0.00 H new ATOM 0 H2' G A 3 5.606 4.327 8.838 1.00 0.00 H new ATOM 0 HO2' G A 3 6.743 5.974 7.769 1.00 0.00 H new ATOM 0 H1' G A 3 6.872 4.100 6.334 1.00 0.00 H new ATOM 0 H8 G A 3 6.015 0.614 7.484 1.00 0.00 H new ATOM 0 H1 G A 3 0.933 4.032 5.528 1.00 0.00 H new ATOM 0 H21 G A 3 3.165 6.717 5.562 1.00 0.00 H new ATOM 0 H22 G A 3 1.519 6.153 5.255 1.00 0.00 H new ATOM 100 P G A 4 6.916 4.503 11.727 1.00 0.00 P ATOM 101 OP1 G A 4 7.747 4.967 12.861 1.00 0.00 O ATOM 102 OP2 G A 4 5.891 3.460 11.951 1.00 0.00 O ATOM 103 O5' G A 4 6.183 5.795 11.087 1.00 0.00 O ATOM 104 C5' G A 4 6.877 7.020 10.916 1.00 0.00 C ATOM 105 C4' G A 4 5.908 8.101 10.417 1.00 0.00 C ATOM 106 O4' G A 4 5.314 7.741 9.167 1.00 0.00 O ATOM 107 C3' G A 4 4.754 8.316 11.380 1.00 0.00 C ATOM 108 O3' G A 4 5.104 9.183 12.441 1.00 0.00 O ATOM 109 C2' G A 4 3.741 8.956 10.462 1.00 0.00 C ATOM 110 O2' G A 4 4.086 10.308 10.237 1.00 0.00 O ATOM 111 C1' G A 4 3.946 8.183 9.170 1.00 0.00 C ATOM 112 N9 G A 4 3.050 7.012 9.116 1.00 0.00 N ATOM 113 C8 G A 4 3.368 5.693 9.269 1.00 0.00 C ATOM 114 N7 G A 4 2.362 4.879 9.110 1.00 0.00 N ATOM 115 C5 G A 4 1.291 5.723 8.832 1.00 0.00 C ATOM 116 C6 G A 4 -0.076 5.413 8.565 1.00 0.00 C ATOM 117 O6 G A 4 -0.610 4.308 8.512 1.00 0.00 O ATOM 118 N1 G A 4 -0.831 6.561 8.354 1.00 0.00 N ATOM 119 C2 G A 4 -0.335 7.847 8.375 1.00 0.00 C ATOM 120 N2 G A 4 -1.212 8.831 8.149 1.00 0.00 N ATOM 121 N3 G A 4 0.949 8.143 8.614 1.00 0.00 N ATOM 122 C4 G A 4 1.702 7.035 8.837 1.00 0.00 C ATOM 0 H5' G A 4 7.691 6.891 10.203 1.00 0.00 H new ATOM 0 H5'' G A 4 7.326 7.329 11.860 1.00 0.00 H new ATOM 0 H4' G A 4 6.511 9.004 10.323 1.00 0.00 H new ATOM 0 H3' G A 4 4.413 7.409 11.879 1.00 0.00 H new ATOM 0 H2' G A 4 2.723 8.933 10.851 1.00 0.00 H new ATOM 0 HO2' G A 4 4.600 10.646 11.000 1.00 0.00 H new ATOM 0 H1' G A 4 3.724 8.812 8.308 1.00 0.00 H new ATOM 0 H8 G A 4 4.366 5.353 9.502 1.00 0.00 H new ATOM 0 H1 G A 4 -1.827 6.443 8.170 1.00 0.00 H new ATOM 0 H21 G A 4 -0.901 9.802 8.153 1.00 0.00 H new ATOM 0 H22 G A 4 -2.192 8.610 7.973 1.00 0.00 H new ATOM 134 P U A 5 4.268 9.183 13.820 1.00 0.00 P ATOM 135 OP1 U A 5 4.691 10.357 14.615 1.00 0.00 O ATOM 136 OP2 U A 5 4.364 7.828 14.406 1.00 0.00 O ATOM 137 O5' U A 5 2.744 9.413 13.353 1.00 0.00 O ATOM 138 C5' U A 5 2.274 10.682 12.956 1.00 0.00 C ATOM 139 C4' U A 5 0.776 10.595 12.622 1.00 0.00 C ATOM 140 O4' U A 5 0.494 9.833 11.440 1.00 0.00 O ATOM 141 C3' U A 5 -0.025 9.960 13.727 1.00 0.00 C ATOM 142 O3' U A 5 -0.256 10.848 14.805 1.00 0.00 O ATOM 143 C2' U A 5 -1.286 9.655 12.963 1.00 0.00 C ATOM 144 O2' U A 5 -2.025 10.837 12.728 1.00 0.00 O ATOM 145 C1' U A 5 -0.751 9.136 11.652 1.00 0.00 C ATOM 146 N1 U A 5 -0.488 7.680 11.732 1.00 0.00 N ATOM 147 C2 U A 5 -1.522 6.797 11.438 1.00 0.00 C ATOM 148 O2 U A 5 -2.659 7.177 11.160 1.00 0.00 O ATOM 149 N3 U A 5 -1.198 5.450 11.473 1.00 0.00 N ATOM 150 C4 U A 5 0.046 4.917 11.773 1.00 0.00 C ATOM 151 O4 U A 5 0.224 3.702 11.773 1.00 0.00 O ATOM 152 C5 U A 5 1.054 5.910 12.069 1.00 0.00 C ATOM 153 C6 U A 5 0.758 7.229 12.036 1.00 0.00 C ATOM 0 H5' U A 5 2.831 11.032 12.087 1.00 0.00 H new ATOM 0 H5'' U A 5 2.438 11.407 13.753 1.00 0.00 H new ATOM 0 H4' U A 5 0.491 11.637 12.474 1.00 0.00 H new ATOM 0 H3' U A 5 0.448 9.106 14.211 1.00 0.00 H new ATOM 0 H2' U A 5 -1.950 8.967 13.486 1.00 0.00 H new ATOM 0 HO2' U A 5 -2.840 10.619 12.229 1.00 0.00 H new ATOM 0 H1' U A 5 -1.465 9.298 10.844 1.00 0.00 H new ATOM 0 H3 U A 5 -1.945 4.789 11.258 1.00 0.00 H new ATOM 0 H5 U A 5 2.056 5.594 12.320 1.00 0.00 H new ATOM 0 H6 U A 5 1.535 7.946 12.258 1.00 0.00 H new ATOM 164 P C A 6 -0.740 10.292 16.240 1.00 0.00 P ATOM 165 OP1 C A 6 -1.034 11.451 17.111 1.00 0.00 O ATOM 166 OP2 C A 6 0.233 9.269 16.683 1.00 0.00 O ATOM 167 O5' C A 6 -2.125 9.548 15.907 1.00 0.00 O ATOM 168 C5' C A 6 -3.299 10.281 15.644 1.00 0.00 C ATOM 169 C4' C A 6 -4.424 9.314 15.271 1.00 0.00 C ATOM 170 O4' C A 6 -4.106 8.561 14.100 1.00 0.00 O ATOM 171 C3' C A 6 -4.683 8.284 16.349 1.00 0.00 C ATOM 172 O3' C A 6 -5.427 8.802 17.436 1.00 0.00 O ATOM 173 C2' C A 6 -5.478 7.286 15.551 1.00 0.00 C ATOM 174 O2' C A 6 -6.771 7.799 15.312 1.00 0.00 O ATOM 175 C1' C A 6 -4.716 7.268 14.231 1.00 0.00 C ATOM 176 N1 C A 6 -3.683 6.202 14.256 1.00 0.00 N ATOM 177 C2 C A 6 -4.119 4.899 14.066 1.00 0.00 C ATOM 178 O2 C A 6 -5.307 4.672 13.859 1.00 0.00 O ATOM 179 N3 C A 6 -3.203 3.895 14.119 1.00 0.00 N ATOM 180 C4 C A 6 -1.910 4.154 14.354 1.00 0.00 C ATOM 181 N4 C A 6 -1.047 3.135 14.407 1.00 0.00 N ATOM 182 C5 C A 6 -1.440 5.495 14.540 1.00 0.00 C ATOM 183 C6 C A 6 -2.360 6.482 14.476 1.00 0.00 C ATOM 0 H5' C A 6 -3.127 10.987 14.832 1.00 0.00 H new ATOM 0 H5'' C A 6 -3.581 10.865 16.520 1.00 0.00 H new ATOM 0 H4' C A 6 -5.295 9.951 15.120 1.00 0.00 H new ATOM 0 H3' C A 6 -3.786 7.895 16.831 1.00 0.00 H new ATOM 0 H2' C A 6 -5.585 6.315 16.034 1.00 0.00 H new ATOM 0 HO2' C A 6 -6.962 8.516 15.952 1.00 0.00 H new ATOM 0 H1' C A 6 -5.376 7.061 13.389 1.00 0.00 H new ATOM 0 H41 C A 6 -0.058 3.313 14.585 1.00 0.00 H new ATOM 0 H42 C A 6 -1.377 2.180 14.270 1.00 0.00 H new ATOM 0 H5 C A 6 -0.397 5.707 14.723 1.00 0.00 H new ATOM 0 H6 C A 6 -2.048 7.508 14.600 1.00 0.00 H new ATOM 195 P U A 7 -5.485 8.013 18.847 1.00 0.00 P ATOM 196 OP1 U A 7 -6.358 8.778 19.764 1.00 0.00 O ATOM 197 OP2 U A 7 -4.095 7.703 19.247 1.00 0.00 O ATOM 198 O5' U A 7 -6.223 6.621 18.497 1.00 0.00 O ATOM 199 C5' U A 7 -7.626 6.557 18.338 1.00 0.00 C ATOM 200 C4' U A 7 -8.050 5.104 18.115 1.00 0.00 C ATOM 201 O4' U A 7 -7.429 4.535 16.957 1.00 0.00 O ATOM 202 C3' U A 7 -7.633 4.206 19.259 1.00 0.00 C ATOM 203 O3' U A 7 -8.458 4.338 20.401 1.00 0.00 O ATOM 204 C2' U A 7 -7.804 2.868 18.598 1.00 0.00 C ATOM 205 O2' U A 7 -9.177 2.555 18.504 1.00 0.00 O ATOM 206 C1' U A 7 -7.271 3.123 17.198 1.00 0.00 C ATOM 207 N1 U A 7 -5.843 2.717 17.103 1.00 0.00 N ATOM 208 C2 U A 7 -5.580 1.358 16.998 1.00 0.00 C ATOM 209 O2 U A 7 -6.476 0.517 16.990 1.00 0.00 O ATOM 210 N3 U A 7 -4.249 0.995 16.901 1.00 0.00 N ATOM 211 C4 U A 7 -3.167 1.857 16.904 1.00 0.00 C ATOM 212 O4 U A 7 -2.021 1.419 16.826 1.00 0.00 O ATOM 213 C5 U A 7 -3.527 3.257 17.000 1.00 0.00 C ATOM 214 C6 U A 7 -4.825 3.639 17.091 1.00 0.00 C ATOM 0 H5' U A 7 -7.935 7.171 17.492 1.00 0.00 H new ATOM 0 H5'' U A 7 -8.121 6.960 19.222 1.00 0.00 H new ATOM 0 H4' U A 7 -9.134 5.149 18.013 1.00 0.00 H new ATOM 0 H3' U A 7 -6.640 4.414 19.656 1.00 0.00 H new ATOM 0 H2' U A 7 -7.310 2.055 19.130 1.00 0.00 H new ATOM 0 HO2' U A 7 -9.285 1.682 18.071 1.00 0.00 H new ATOM 0 H1' U A 7 -7.811 2.540 16.452 1.00 0.00 H new ATOM 0 H3 U A 7 -4.046 -0.001 16.820 1.00 0.00 H new ATOM 0 H5 U A 7 -2.750 4.007 16.999 1.00 0.00 H new ATOM 0 H6 U A 7 -5.063 4.690 17.155 1.00 0.00 H new ATOM 225 P C A 8 -8.051 3.632 21.799 1.00 0.00 P ATOM 226 OP1 C A 8 -9.090 3.958 22.800 1.00 0.00 O ATOM 227 OP2 C A 8 -6.636 3.962 22.079 1.00 0.00 O ATOM 228 O5' C A 8 -8.139 2.051 21.483 1.00 0.00 O ATOM 229 C5' C A 8 -9.387 1.395 21.391 1.00 0.00 C ATOM 230 C4' C A 8 -9.169 -0.095 21.103 1.00 0.00 C ATOM 231 O4' C A 8 -8.455 -0.306 19.887 1.00 0.00 O ATOM 232 C3' C A 8 -8.328 -0.775 22.159 1.00 0.00 C ATOM 233 O3' C A 8 -9.043 -1.026 23.350 1.00 0.00 O ATOM 234 C2' C A 8 -7.971 -2.045 21.444 1.00 0.00 C ATOM 235 O2' C A 8 -9.085 -2.912 21.437 1.00 0.00 O ATOM 236 C1' C A 8 -7.716 -1.534 20.025 1.00 0.00 C ATOM 237 N1 C A 8 -6.259 -1.293 19.839 1.00 0.00 N ATOM 238 C2 C A 8 -5.451 -2.397 19.592 1.00 0.00 C ATOM 239 O2 C A 8 -5.944 -3.520 19.510 1.00 0.00 O ATOM 240 N3 C A 8 -4.109 -2.198 19.447 1.00 0.00 N ATOM 241 C4 C A 8 -3.582 -0.968 19.543 1.00 0.00 C ATOM 242 N4 C A 8 -2.264 -0.814 19.385 1.00 0.00 N ATOM 243 C5 C A 8 -4.402 0.175 19.805 1.00 0.00 C ATOM 244 C6 C A 8 -5.727 -0.039 19.942 1.00 0.00 C ATOM 0 H5' C A 8 -9.987 1.844 20.599 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.942 1.518 22.321 1.00 0.00 H new ATOM 0 H4' C A 8 -10.177 -0.507 21.066 1.00 0.00 H new ATOM 0 H3' C A 8 -7.478 -0.184 22.500 1.00 0.00 H new ATOM 0 H2' C A 8 -7.138 -2.593 21.885 1.00 0.00 H new ATOM 0 HO2' C A 8 -9.563 -2.838 22.289 1.00 0.00 H new ATOM 0 HO3' C A 8 -8.455 -1.467 23.998 1.00 0.00 H new ATOM 0 H1' C A 8 -8.034 -2.257 19.274 1.00 0.00 H new ATOM 0 H41 C A 8 -1.847 0.114 19.455 1.00 0.00 H new ATOM 0 H42 C A 8 -1.675 -1.625 19.195 1.00 0.00 H new ATOM 0 H5 C A 8 -3.979 1.165 19.889 1.00 0.00 H new ATOM 0 H6 C A 8 -6.381 0.798 20.137 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.491 -11.231 17.636 1.00 0.00 O ATOM 259 C5' G B 9 2.883 -10.454 16.628 1.00 0.00 C ATOM 260 C4' G B 9 1.387 -10.326 16.912 1.00 0.00 C ATOM 261 O4' G B 9 1.148 -9.588 18.109 1.00 0.00 O ATOM 262 C3' G B 9 0.671 -9.550 15.825 1.00 0.00 C ATOM 263 O3' G B 9 0.431 -10.329 14.669 1.00 0.00 O ATOM 264 C2' G B 9 -0.602 -9.203 16.553 1.00 0.00 C ATOM 265 O2' G B 9 -1.432 -10.341 16.636 1.00 0.00 O ATOM 266 C1' G B 9 -0.086 -8.873 17.946 1.00 0.00 C ATOM 267 N9 G B 9 0.162 -7.423 18.044 1.00 0.00 N ATOM 268 C8 G B 9 1.322 -6.730 17.826 1.00 0.00 C ATOM 269 N7 G B 9 1.213 -5.443 17.998 1.00 0.00 N ATOM 270 C5 G B 9 -0.123 -5.266 18.349 1.00 0.00 C ATOM 271 C6 G B 9 -0.841 -4.072 18.651 1.00 0.00 C ATOM 272 O6 G B 9 -0.421 -2.918 18.685 1.00 0.00 O ATOM 273 N1 G B 9 -2.178 -4.336 18.928 1.00 0.00 N ATOM 274 C2 G B 9 -2.755 -5.588 18.922 1.00 0.00 C ATOM 275 N2 G B 9 -4.059 -5.652 19.206 1.00 0.00 N ATOM 276 N3 G B 9 -2.083 -6.710 18.647 1.00 0.00 N ATOM 277 C4 G B 9 -0.776 -6.474 18.369 1.00 0.00 C ATOM 0 H5' G B 9 3.040 -10.917 15.654 1.00 0.00 H new ATOM 0 H5'' G B 9 3.342 -9.466 16.590 1.00 0.00 H new ATOM 0 H4' G B 9 1.020 -11.350 16.981 1.00 0.00 H new ATOM 0 H3' G B 9 1.226 -8.698 15.433 1.00 0.00 H new ATOM 0 H2' G B 9 -1.178 -8.409 16.078 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.257 -10.110 17.111 1.00 0.00 H new ATOM 0 HO5' G B 9 4.450 -11.313 17.452 1.00 0.00 H new ATOM 0 H1' G B 9 -0.806 -9.154 18.715 1.00 0.00 H new ATOM 0 H8 G B 9 2.246 -7.208 17.537 1.00 0.00 H new ATOM 0 H1 G B 9 -2.778 -3.542 19.153 1.00 0.00 H new ATOM 0 H21 G B 9 -4.535 -6.554 19.215 1.00 0.00 H new ATOM 0 H22 G B 9 -4.578 -4.799 19.414 1.00 0.00 H new ATOM 290 P A B 10 -0.017 -9.632 13.283 1.00 0.00 P ATOM 291 OP1 A B 10 -0.250 -10.699 12.285 1.00 0.00 O ATOM 292 OP2 A B 10 0.949 -8.551 12.988 1.00 0.00 O ATOM 293 O5' A B 10 -1.435 -8.952 13.632 1.00 0.00 O ATOM 294 C5' A B 10 -2.608 -9.729 13.755 1.00 0.00 C ATOM 295 C4' A B 10 -3.782 -8.812 14.105 1.00 0.00 C ATOM 296 O4' A B 10 -3.535 -8.092 15.307 1.00 0.00 O ATOM 297 C3' A B 10 -4.001 -7.747 13.055 1.00 0.00 C ATOM 298 O3' A B 10 -4.647 -8.257 11.900 1.00 0.00 O ATOM 299 C2' A B 10 -4.864 -6.782 13.824 1.00 0.00 C ATOM 300 O2' A B 10 -6.184 -7.277 13.898 1.00 0.00 O ATOM 301 C1' A B 10 -4.238 -6.844 15.218 1.00 0.00 C ATOM 302 N9 A B 10 -3.302 -5.712 15.406 1.00 0.00 N ATOM 303 C8 A B 10 -1.932 -5.690 15.305 1.00 0.00 C ATOM 304 N7 A B 10 -1.404 -4.517 15.529 1.00 0.00 N ATOM 305 C5 A B 10 -2.501 -3.703 15.798 1.00 0.00 C ATOM 306 C6 A B 10 -2.621 -2.335 16.117 1.00 0.00 C ATOM 307 N6 A B 10 -1.574 -1.508 16.220 1.00 0.00 N ATOM 308 N1 A B 10 -3.859 -1.850 16.329 1.00 0.00 N ATOM 309 C2 A B 10 -4.901 -2.671 16.228 1.00 0.00 C ATOM 310 N3 A B 10 -4.919 -3.965 15.935 1.00 0.00 N ATOM 311 C4 A B 10 -3.661 -4.424 15.729 1.00 0.00 C ATOM 0 H5' A B 10 -2.478 -10.486 14.529 1.00 0.00 H new ATOM 0 H5'' A B 10 -2.808 -10.257 12.823 1.00 0.00 H new ATOM 0 H4' A B 10 -4.644 -9.474 14.190 1.00 0.00 H new ATOM 0 H3' A B 10 -3.088 -7.310 12.651 1.00 0.00 H new ATOM 0 H2' A B 10 -4.910 -5.785 13.386 1.00 0.00 H new ATOM 0 HO2' A B 10 -6.742 -6.647 14.400 1.00 0.00 H new ATOM 0 H1' A B 10 -5.002 -6.775 15.992 1.00 0.00 H new ATOM 0 H8 A B 10 -1.345 -6.564 15.062 1.00 0.00 H new ATOM 0 H61 A B 10 -1.721 -0.526 16.454 1.00 0.00 H new ATOM 0 H62 A B 10 -0.629 -1.860 16.065 1.00 0.00 H new ATOM 0 H2 A B 10 -5.866 -2.222 16.410 1.00 0.00 H new ATOM 323 P G B 11 -4.683 -7.412 10.524 1.00 0.00 P ATOM 324 OP1 G B 11 -5.438 -8.195 9.522 1.00 0.00 O ATOM 325 OP2 G B 11 -3.301 -6.975 10.223 1.00 0.00 O ATOM 326 O5' G B 11 -5.547 -6.106 10.892 1.00 0.00 O ATOM 327 C5' G B 11 -6.954 -6.166 11.008 1.00 0.00 C ATOM 328 C4' G B 11 -7.466 -4.782 11.406 1.00 0.00 C ATOM 329 O4' G B 11 -6.878 -4.364 12.631 1.00 0.00 O ATOM 330 C3' G B 11 -7.088 -3.722 10.408 1.00 0.00 C ATOM 331 O3' G B 11 -7.913 -3.753 9.254 1.00 0.00 O ATOM 332 C2' G B 11 -7.340 -2.494 11.250 1.00 0.00 C ATOM 333 O2' G B 11 -8.724 -2.225 11.308 1.00 0.00 O ATOM 334 C1' G B 11 -6.875 -2.937 12.635 1.00 0.00 C ATOM 335 N9 G B 11 -5.518 -2.413 12.871 1.00 0.00 N ATOM 336 C8 G B 11 -4.305 -3.040 12.751 1.00 0.00 C ATOM 337 N7 G B 11 -3.283 -2.262 12.984 1.00 0.00 N ATOM 338 C5 G B 11 -3.863 -1.029 13.275 1.00 0.00 C ATOM 339 C6 G B 11 -3.255 0.220 13.602 1.00 0.00 C ATOM 340 O6 G B 11 -2.060 0.482 13.713 1.00 0.00 O ATOM 341 N1 G B 11 -4.208 1.212 13.806 1.00 0.00 N ATOM 342 C2 G B 11 -5.572 1.030 13.717 1.00 0.00 C ATOM 343 N2 G B 11 -6.343 2.094 13.956 1.00 0.00 N ATOM 344 N3 G B 11 -6.142 -0.137 13.416 1.00 0.00 N ATOM 345 C4 G B 11 -5.230 -1.118 13.207 1.00 0.00 C ATOM 0 H5' G B 11 -7.241 -6.906 11.755 1.00 0.00 H new ATOM 0 H5'' G B 11 -7.399 -6.478 10.063 1.00 0.00 H new ATOM 0 H4' G B 11 -8.549 -4.883 11.473 1.00 0.00 H new ATOM 0 H3' G B 11 -6.082 -3.809 9.998 1.00 0.00 H new ATOM 0 H2' G B 11 -6.842 -1.602 10.868 1.00 0.00 H new ATOM 0 HO2' G B 11 -8.880 -1.428 11.856 1.00 0.00 H new ATOM 0 H1' G B 11 -7.524 -2.563 13.427 1.00 0.00 H new ATOM 0 H8 G B 11 -4.204 -4.083 12.488 1.00 0.00 H new ATOM 0 H1 G B 11 -3.872 2.146 14.039 1.00 0.00 H new ATOM 0 H21 G B 11 -7.358 2.011 13.903 1.00 0.00 H new ATOM 0 H22 G B 11 -5.917 2.990 14.192 1.00 0.00 H new ATOM 357 P G B 12 -7.669 -2.730 8.024 1.00 0.00 P ATOM 358 OP1 G B 12 -8.506 -3.174 6.888 1.00 0.00 O ATOM 359 OP2 G B 12 -6.208 -2.581 7.842 1.00 0.00 O ATOM 360 O5' G B 12 -8.253 -1.315 8.550 1.00 0.00 O ATOM 361 C5' G B 12 -9.649 -1.094 8.656 1.00 0.00 C ATOM 362 C4' G B 12 -9.916 0.369 9.039 1.00 0.00 C ATOM 363 O4' G B 12 -9.306 0.707 10.288 1.00 0.00 O ATOM 364 C3' G B 12 -9.340 1.334 8.019 1.00 0.00 C ATOM 365 O3' G B 12 -10.203 1.513 6.913 1.00 0.00 O ATOM 366 C2' G B 12 -9.245 2.592 8.847 1.00 0.00 C ATOM 367 O2' G B 12 -10.527 3.170 8.987 1.00 0.00 O ATOM 368 C1' G B 12 -8.808 2.053 10.199 1.00 0.00 C ATOM 369 N9 G B 12 -7.336 2.041 10.302 1.00 0.00 N ATOM 370 C8 G B 12 -6.492 0.968 10.266 1.00 0.00 C ATOM 371 N7 G B 12 -5.236 1.270 10.440 1.00 0.00 N ATOM 372 C5 G B 12 -5.245 2.652 10.602 1.00 0.00 C ATOM 373 C6 G B 12 -4.165 3.556 10.826 1.00 0.00 C ATOM 374 O6 G B 12 -2.969 3.300 10.938 1.00 0.00 O ATOM 375 N1 G B 12 -4.605 4.872 10.913 1.00 0.00 N ATOM 376 C2 G B 12 -5.921 5.272 10.816 1.00 0.00 C ATOM 377 N2 G B 12 -6.158 6.583 10.923 1.00 0.00 N ATOM 378 N3 G B 12 -6.940 4.426 10.616 1.00 0.00 N ATOM 379 C4 G B 12 -6.529 3.136 10.515 1.00 0.00 C ATOM 0 H5' G B 12 -10.076 -1.760 9.406 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.136 -1.326 7.709 1.00 0.00 H new ATOM 0 H4' G B 12 -11.001 0.458 9.093 1.00 0.00 H new ATOM 0 H3' G B 12 -8.401 1.005 7.574 1.00 0.00 H new ATOM 0 H2' G B 12 -8.584 3.347 8.421 1.00 0.00 H new ATOM 0 HO2' G B 12 -11.119 2.828 8.285 1.00 0.00 H new ATOM 0 H1' G B 12 -9.194 2.679 11.004 1.00 0.00 H new ATOM 0 H8 G B 12 -6.836 -0.043 10.107 1.00 0.00 H new ATOM 0 H1 G B 12 -3.902 5.596 11.060 1.00 0.00 H new ATOM 0 H21 G B 12 -7.113 6.936 10.859 1.00 0.00 H new ATOM 0 H22 G B 12 -5.384 7.231 11.069 1.00 0.00 H new ATOM 391 P U B 13 -9.640 2.062 5.505 1.00 0.00 P ATOM 392 OP1 U B 13 -10.797 2.400 4.647 1.00 0.00 O ATOM 393 OP2 U B 13 -8.623 1.103 5.021 1.00 0.00 O ATOM 394 O5' U B 13 -8.883 3.430 5.893 1.00 0.00 O ATOM 395 C5' U B 13 -9.594 4.615 6.179 1.00 0.00 C ATOM 396 C4' U B 13 -8.602 5.758 6.447 1.00 0.00 C ATOM 397 O4' U B 13 -7.863 5.605 7.667 1.00 0.00 O ATOM 398 C3' U B 13 -7.578 5.897 5.353 1.00 0.00 C ATOM 399 O3' U B 13 -8.100 6.537 4.205 1.00 0.00 O ATOM 400 C2' U B 13 -6.573 6.756 6.075 1.00 0.00 C ATOM 401 O2' U B 13 -7.042 8.085 6.185 1.00 0.00 O ATOM 402 C1' U B 13 -6.538 6.128 7.445 1.00 0.00 C ATOM 403 N1 U B 13 -5.561 5.014 7.487 1.00 0.00 N ATOM 404 C2 U B 13 -4.235 5.299 7.796 1.00 0.00 C ATOM 405 O2 U B 13 -3.831 6.446 7.989 1.00 0.00 O ATOM 406 N3 U B 13 -3.382 4.209 7.876 1.00 0.00 N ATOM 407 C4 U B 13 -3.733 2.883 7.676 1.00 0.00 C ATOM 408 O4 U B 13 -2.893 1.992 7.773 1.00 0.00 O ATOM 409 C5 U B 13 -5.129 2.685 7.359 1.00 0.00 C ATOM 410 C6 U B 13 -5.977 3.736 7.280 1.00 0.00 C ATOM 0 H5' U B 13 -10.236 4.466 7.047 1.00 0.00 H new ATOM 0 H5'' U B 13 -10.244 4.872 5.343 1.00 0.00 H new ATOM 0 H4' U B 13 -9.241 6.639 6.506 1.00 0.00 H new ATOM 0 H3' U B 13 -7.192 4.958 4.955 1.00 0.00 H new ATOM 0 H2' U B 13 -5.607 6.802 5.573 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.377 8.628 6.658 1.00 0.00 H new ATOM 0 H1' U B 13 -6.243 6.855 8.202 1.00 0.00 H new ATOM 0 H3 U B 13 -2.406 4.400 8.103 1.00 0.00 H new ATOM 0 H5 U B 13 -5.500 1.686 7.183 1.00 0.00 H new ATOM 0 H6 U B 13 -7.016 3.555 7.046 1.00 0.00 H new ATOM 421 P C B 14 -7.326 6.452 2.792 1.00 0.00 P ATOM 422 OP1 C B 14 -8.033 7.321 1.824 1.00 0.00 O ATOM 423 OP2 C B 14 -7.111 5.023 2.475 1.00 0.00 O ATOM 424 O5' C B 14 -5.896 7.112 3.109 1.00 0.00 O ATOM 425 C5' C B 14 -5.753 8.507 3.253 1.00 0.00 C ATOM 426 C4' C B 14 -4.309 8.827 3.637 1.00 0.00 C ATOM 427 O4' C B 14 -3.948 8.225 4.880 1.00 0.00 O ATOM 428 C3' C B 14 -3.311 8.292 2.632 1.00 0.00 C ATOM 429 O3' C B 14 -3.230 9.086 1.465 1.00 0.00 O ATOM 430 C2' C B 14 -2.055 8.372 3.459 1.00 0.00 C ATOM 431 O2' C B 14 -1.639 9.717 3.570 1.00 0.00 O ATOM 432 C1' C B 14 -2.551 7.902 4.822 1.00 0.00 C ATOM 433 N1 C B 14 -2.345 6.438 4.949 1.00 0.00 N ATOM 434 C2 C B 14 -1.056 6.008 5.226 1.00 0.00 C ATOM 435 O2 C B 14 -0.158 6.828 5.396 1.00 0.00 O ATOM 436 N3 C B 14 -0.820 4.670 5.297 1.00 0.00 N ATOM 437 C4 C B 14 -1.806 3.786 5.099 1.00 0.00 C ATOM 438 N4 C B 14 -1.527 2.481 5.170 1.00 0.00 N ATOM 439 C5 C B 14 -3.145 4.213 4.821 1.00 0.00 C ATOM 440 C6 C B 14 -3.366 5.545 4.763 1.00 0.00 C ATOM 0 H5' C B 14 -6.436 8.878 4.017 1.00 0.00 H new ATOM 0 H5'' C B 14 -6.014 9.009 2.322 1.00 0.00 H new ATOM 0 H4' C B 14 -4.273 9.915 3.686 1.00 0.00 H new ATOM 0 H3' C B 14 -3.548 7.304 2.237 1.00 0.00 H new ATOM 0 H2' C B 14 -1.221 7.802 3.051 1.00 0.00 H new ATOM 0 HO2' C B 14 -0.822 9.763 4.110 1.00 0.00 H new ATOM 0 H1' C B 14 -2.010 8.383 5.637 1.00 0.00 H new ATOM 0 H41 C B 14 -2.265 1.793 5.022 1.00 0.00 H new ATOM 0 H42 C B 14 -0.576 2.173 5.372 1.00 0.00 H new ATOM 0 H5 C B 14 -3.943 3.502 4.665 1.00 0.00 H new ATOM 0 H6 C B 14 -4.363 5.911 4.567 1.00 0.00 H new ATOM 452 P U B 15 -2.502 8.525 0.136 1.00 0.00 P ATOM 453 OP1 U B 15 -2.530 9.592 -0.889 1.00 0.00 O ATOM 454 OP2 U B 15 -3.081 7.199 -0.172 1.00 0.00 O ATOM 455 O5' U B 15 -0.970 8.305 0.588 1.00 0.00 O ATOM 456 C5' U B 15 -0.094 9.400 0.754 1.00 0.00 C ATOM 457 C4' U B 15 1.306 8.887 1.104 1.00 0.00 C ATOM 458 O4' U B 15 1.310 8.125 2.316 1.00 0.00 O ATOM 459 C3' U B 15 1.847 7.942 0.052 1.00 0.00 C ATOM 460 O3' U B 15 2.310 8.607 -1.109 1.00 0.00 O ATOM 461 C2' U B 15 2.976 7.328 0.832 1.00 0.00 C ATOM 462 O2' U B 15 4.035 8.254 0.946 1.00 0.00 O ATOM 463 C1' U B 15 2.354 7.137 2.206 1.00 0.00 C ATOM 464 N1 U B 15 1.806 5.761 2.348 1.00 0.00 N ATOM 465 C2 U B 15 2.718 4.741 2.591 1.00 0.00 C ATOM 466 O2 U B 15 3.927 4.948 2.664 1.00 0.00 O ATOM 467 N3 U B 15 2.191 3.471 2.751 1.00 0.00 N ATOM 468 C4 U B 15 0.852 3.131 2.686 1.00 0.00 C ATOM 469 O4 U B 15 0.498 1.963 2.832 1.00 0.00 O ATOM 470 C5 U B 15 -0.032 4.252 2.442 1.00 0.00 C ATOM 471 C6 U B 15 0.458 5.506 2.286 1.00 0.00 C ATOM 0 H5' U B 15 -0.460 10.056 1.544 1.00 0.00 H new ATOM 0 H5'' U B 15 -0.058 9.992 -0.161 1.00 0.00 H new ATOM 0 H4' U B 15 1.914 9.788 1.188 1.00 0.00 H new ATOM 0 H3' U B 15 1.113 7.244 -0.349 1.00 0.00 H new ATOM 0 H2' U B 15 3.373 6.419 0.381 1.00 0.00 H new ATOM 0 HO2' U B 15 4.769 7.851 1.456 1.00 0.00 H new ATOM 0 H1' U B 15 3.093 7.260 2.998 1.00 0.00 H new ATOM 0 H3 U B 15 2.852 2.716 2.934 1.00 0.00 H new ATOM 0 H5 U B 15 -1.098 4.086 2.383 1.00 0.00 H new ATOM 0 H6 U B 15 -0.227 6.322 2.109 1.00 0.00 H new ATOM 482 P C B 16 2.693 7.771 -2.440 1.00 0.00 P ATOM 483 OP1 C B 16 3.168 8.727 -3.465 1.00 0.00 O ATOM 484 OP2 C B 16 1.562 6.868 -2.750 1.00 0.00 O ATOM 485 O5' C B 16 3.946 6.859 -1.988 1.00 0.00 O ATOM 486 C5' C B 16 5.236 7.415 -1.838 1.00 0.00 C ATOM 487 C4' C B 16 6.226 6.320 -1.426 1.00 0.00 C ATOM 488 O4' C B 16 5.849 5.695 -0.203 1.00 0.00 O ATOM 489 C3' C B 16 6.286 5.188 -2.427 1.00 0.00 C ATOM 490 O3' C B 16 7.024 5.523 -3.583 1.00 0.00 O ATOM 491 C2' C B 16 6.970 4.127 -1.612 1.00 0.00 C ATOM 492 O2' C B 16 8.356 4.394 -1.537 1.00 0.00 O ATOM 493 C1' C B 16 6.334 4.338 -0.237 1.00 0.00 C ATOM 494 N1 C B 16 5.215 3.374 -0.055 1.00 0.00 N ATOM 495 C2 C B 16 5.546 2.060 0.261 1.00 0.00 C ATOM 496 O2 C B 16 6.722 1.735 0.406 1.00 0.00 O ATOM 497 N3 C B 16 4.536 1.155 0.400 1.00 0.00 N ATOM 498 C4 C B 16 3.256 1.520 0.235 1.00 0.00 C ATOM 499 N4 C B 16 2.296 0.603 0.392 1.00 0.00 N ATOM 500 C5 C B 16 2.902 2.866 -0.098 1.00 0.00 C ATOM 501 C6 C B 16 3.913 3.751 -0.229 1.00 0.00 C ATOM 0 H5' C B 16 5.217 8.204 -1.086 1.00 0.00 H new ATOM 0 H5'' C B 16 5.556 7.874 -2.773 1.00 0.00 H new ATOM 0 H4' C B 16 7.181 6.839 -1.347 1.00 0.00 H new ATOM 0 H3' C B 16 5.314 4.898 -2.826 1.00 0.00 H new ATOM 0 H2' C B 16 6.863 3.119 -2.012 1.00 0.00 H new ATOM 0 HO2' C B 16 8.609 5.014 -2.253 1.00 0.00 H new ATOM 0 HO3' C B 16 7.035 4.759 -4.197 1.00 0.00 H new ATOM 0 H1' C B 16 7.052 4.172 0.566 1.00 0.00 H new ATOM 0 H41 C B 16 1.317 0.863 0.270 1.00 0.00 H new ATOM 0 H42 C B 16 2.542 -0.357 0.633 1.00 0.00 H new ATOM 0 H5 C B 16 1.872 3.161 -0.238 1.00 0.00 H new ATOM 0 H6 C B 16 3.688 4.778 -0.476 1.00 0.00 H new TER 514 C B 16