USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 152 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 -20:sc= 0.0642 USER MOD Single : A 1 G O5' : rot 180:sc= -0.456 USER MOD Single : A 2 G O2' : rot 180:sc= -0.293 USER MOD Single : A 3 U O2' : rot 180:sc= -0.256 USER MOD Single : A 4 A O2' : rot 180:sc= -2.47! USER MOD Single : A 5 U O2' : rot -88:sc= 1.01 USER MOD Single : A 6 C O2' : rot -3:sc= -1.56! USER MOD Single : A 7 A O2' : rot -130:sc= 1.52 USER MOD Single : A 8 C O2' : rot 130:sc= 1.19 USER MOD Single : A 9 G O2' : rot -21:sc= 0.115 USER MOD Single : A 10 G O2' : rot -22:sc= 0.102 USER MOD Single : A 11 U O2' : rot 180:sc= -0.133 USER MOD Single : A 12 A O2' : rot 180:sc= 0 USER MOD Single : A 13 C O2' : rot 180:sc= -0.379 USER MOD Single : A 14 C O2' : rot -29:sc= 0.104 USER MOD Single : A 14 C O3' : rot 180:sc= 0.12 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -11.679 -4.908 -2.638 1.00 0.00 O ATOM 2 C5' G A 1 -12.249 -5.822 -3.578 1.00 0.00 C ATOM 3 C4' G A 1 -11.920 -5.409 -4.993 1.00 0.00 C ATOM 4 O4' G A 1 -12.503 -4.101 -5.250 1.00 0.00 O ATOM 5 C3' G A 1 -10.438 -5.226 -5.290 1.00 0.00 C ATOM 6 O3' G A 1 -9.816 -6.464 -5.625 1.00 0.00 O ATOM 7 C2' G A 1 -10.465 -4.244 -6.452 1.00 0.00 C ATOM 8 O2' G A 1 -10.828 -4.885 -7.660 1.00 0.00 O ATOM 9 C1' G A 1 -11.607 -3.324 -6.025 1.00 0.00 C ATOM 10 N9 G A 1 -11.170 -2.191 -5.215 1.00 0.00 N ATOM 11 C8 G A 1 -11.273 -2.067 -3.852 1.00 0.00 C ATOM 12 N7 G A 1 -10.794 -0.941 -3.399 1.00 0.00 N ATOM 13 C5 G A 1 -10.345 -0.279 -4.533 1.00 0.00 C ATOM 14 C6 G A 1 -9.726 0.990 -4.671 1.00 0.00 C ATOM 15 O6 G A 1 -9.442 1.807 -3.789 1.00 0.00 O ATOM 16 N1 G A 1 -9.433 1.275 -6.001 1.00 0.00 N ATOM 17 C2 G A 1 -9.701 0.444 -7.062 1.00 0.00 C ATOM 18 N2 G A 1 -9.342 0.896 -8.273 1.00 0.00 N ATOM 19 N3 G A 1 -10.277 -0.742 -6.948 1.00 0.00 N ATOM 20 C4 G A 1 -10.570 -1.037 -5.664 1.00 0.00 C ATOM 0 H5' G A 1 -13.330 -5.859 -3.447 1.00 0.00 H new ATOM 0 H5'' G A 1 -11.871 -6.827 -3.390 1.00 0.00 H new ATOM 0 H4' G A 1 -12.306 -6.221 -5.609 1.00 0.00 H new ATOM 0 H3' G A 1 -9.854 -4.864 -4.444 1.00 0.00 H new ATOM 0 H2' G A 1 -9.505 -3.761 -6.636 1.00 0.00 H new ATOM 0 HO2' G A 1 -10.683 -5.850 -7.574 1.00 0.00 H new ATOM 0 HO5' G A 1 -11.905 -5.192 -1.728 1.00 0.00 H new ATOM 0 H1' G A 1 -12.062 -2.913 -6.927 1.00 0.00 H new ATOM 0 H8 G A 1 -11.707 -2.826 -3.218 1.00 0.00 H new ATOM 0 H1 G A 1 -8.985 2.169 -6.204 1.00 0.00 H new ATOM 0 H21 G A 1 -9.514 0.326 -9.101 1.00 0.00 H new ATOM 0 H22 G A 1 -8.897 1.809 -8.365 1.00 0.00 H new ATOM 32 P G A 2 -8.261 -6.696 -5.280 1.00 0.00 P ATOM 33 OP1 G A 2 -7.958 -8.125 -5.547 1.00 0.00 O ATOM 34 OP2 G A 2 -7.991 -6.129 -3.934 1.00 0.00 O ATOM 35 O5' G A 2 -7.484 -5.816 -6.358 1.00 0.00 O ATOM 36 C5' G A 2 -7.452 -6.205 -7.728 1.00 0.00 C ATOM 37 C4' G A 2 -6.730 -5.165 -8.552 1.00 0.00 C ATOM 38 O4' G A 2 -7.429 -3.896 -8.426 1.00 0.00 O ATOM 39 C3' G A 2 -5.302 -4.847 -8.127 1.00 0.00 C ATOM 40 O3' G A 2 -4.370 -5.771 -8.678 1.00 0.00 O ATOM 41 C2' G A 2 -5.117 -3.437 -8.667 1.00 0.00 C ATOM 42 O2' G A 2 -4.918 -3.444 -10.068 1.00 0.00 O ATOM 43 C1' G A 2 -6.489 -2.837 -8.373 1.00 0.00 C ATOM 44 N9 G A 2 -6.580 -2.210 -7.058 1.00 0.00 N ATOM 45 C8 G A 2 -7.127 -2.751 -5.920 1.00 0.00 C ATOM 46 N7 G A 2 -7.080 -1.947 -4.894 1.00 0.00 N ATOM 47 C5 G A 2 -6.452 -0.809 -5.380 1.00 0.00 C ATOM 48 C6 G A 2 -6.116 0.403 -4.726 1.00 0.00 C ATOM 49 O6 G A 2 -6.313 0.724 -3.548 1.00 0.00 O ATOM 50 N1 G A 2 -5.487 1.293 -5.591 1.00 0.00 N ATOM 51 C2 G A 2 -5.217 1.049 -6.915 1.00 0.00 C ATOM 52 N2 G A 2 -4.604 2.036 -7.586 1.00 0.00 N ATOM 53 N3 G A 2 -5.524 -0.078 -7.537 1.00 0.00 N ATOM 54 C4 G A 2 -6.136 -0.956 -6.714 1.00 0.00 C ATOM 0 H5' G A 2 -8.468 -6.333 -8.101 1.00 0.00 H new ATOM 0 H5'' G A 2 -6.953 -7.169 -7.828 1.00 0.00 H new ATOM 0 H4' G A 2 -6.707 -5.597 -9.553 1.00 0.00 H new ATOM 0 H3' G A 2 -5.133 -4.920 -7.053 1.00 0.00 H new ATOM 0 H2' G A 2 -4.263 -2.914 -8.237 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.804 -2.524 -10.387 1.00 0.00 H new ATOM 0 H1' G A 2 -6.679 -2.056 -9.110 1.00 0.00 H new ATOM 0 H8 G A 2 -7.553 -3.743 -5.879 1.00 0.00 H new ATOM 0 H1 G A 2 -5.205 2.197 -5.212 1.00 0.00 H new ATOM 0 H21 G A 2 -4.376 1.917 -8.573 1.00 0.00 H new ATOM 0 H22 G A 2 -4.366 2.906 -7.109 1.00 0.00 H new ATOM 66 P U A 3 -2.981 -6.053 -7.919 1.00 0.00 P ATOM 67 OP1 U A 3 -2.251 -7.089 -8.692 1.00 0.00 O ATOM 68 OP2 U A 3 -3.269 -6.278 -6.479 1.00 0.00 O ATOM 69 O5' U A 3 -2.192 -4.677 -8.063 1.00 0.00 O ATOM 70 C5' U A 3 -1.785 -4.204 -9.342 1.00 0.00 C ATOM 71 C4' U A 3 -1.174 -2.829 -9.218 1.00 0.00 C ATOM 72 O4' U A 3 -2.163 -1.936 -8.644 1.00 0.00 O ATOM 73 C3' U A 3 0.017 -2.704 -8.279 1.00 0.00 C ATOM 74 O3' U A 3 1.228 -3.083 -8.925 1.00 0.00 O ATOM 75 C2' U A 3 -0.014 -1.226 -7.909 1.00 0.00 C ATOM 76 O2' U A 3 0.534 -0.427 -8.940 1.00 0.00 O ATOM 77 C1' U A 3 -1.519 -0.966 -7.839 1.00 0.00 C ATOM 78 N1 U A 3 -2.064 -1.047 -6.476 1.00 0.00 N ATOM 79 C2 U A 3 -1.863 0.037 -5.642 1.00 0.00 C ATOM 80 O2 U A 3 -1.250 1.032 -5.989 1.00 0.00 O ATOM 81 N3 U A 3 -2.406 -0.087 -4.388 1.00 0.00 N ATOM 82 C4 U A 3 -3.117 -1.160 -3.894 1.00 0.00 C ATOM 83 O4 U A 3 -3.545 -1.125 -2.740 1.00 0.00 O ATOM 84 C5 U A 3 -3.278 -2.239 -4.817 1.00 0.00 C ATOM 85 C6 U A 3 -2.754 -2.156 -6.044 1.00 0.00 C ATOM 0 H5' U A 3 -2.642 -4.170 -10.015 1.00 0.00 H new ATOM 0 H5'' U A 3 -1.063 -4.893 -9.780 1.00 0.00 H new ATOM 0 H4' U A 3 -0.844 -2.597 -10.230 1.00 0.00 H new ATOM 0 H3' U A 3 -0.033 -3.358 -7.408 1.00 0.00 H new ATOM 0 H2' U A 3 0.549 -0.996 -7.005 1.00 0.00 H new ATOM 0 HO2' U A 3 0.500 0.516 -8.676 1.00 0.00 H new ATOM 0 H1' U A 3 -1.696 0.051 -8.188 1.00 0.00 H new ATOM 0 H3 U A 3 -2.269 0.699 -3.753 1.00 0.00 H new ATOM 0 H5 U A 3 -3.824 -3.123 -4.523 1.00 0.00 H new ATOM 0 H6 U A 3 -2.877 -2.989 -6.720 1.00 0.00 H new ATOM 96 P A A 4 2.479 -3.583 -8.048 1.00 0.00 P ATOM 97 OP1 A A 4 3.504 -4.100 -8.991 1.00 0.00 O ATOM 98 OP2 A A 4 1.972 -4.460 -6.963 1.00 0.00 O ATOM 99 O5' A A 4 3.043 -2.246 -7.388 1.00 0.00 O ATOM 100 C5' A A 4 3.602 -1.215 -8.197 1.00 0.00 C ATOM 101 C4' A A 4 3.977 -0.026 -7.344 1.00 0.00 C ATOM 102 O4' A A 4 2.780 0.474 -6.691 1.00 0.00 O ATOM 103 C3' A A 4 4.949 -0.317 -6.207 1.00 0.00 C ATOM 104 O3' A A 4 6.302 -0.210 -6.634 1.00 0.00 O ATOM 105 C2' A A 4 4.593 0.751 -5.180 1.00 0.00 C ATOM 106 O2' A A 4 5.168 1.999 -5.520 1.00 0.00 O ATOM 107 C1' A A 4 3.080 0.847 -5.359 1.00 0.00 C ATOM 108 N9 A A 4 2.326 -0.021 -4.456 1.00 0.00 N ATOM 109 C8 A A 4 1.865 -1.292 -4.693 1.00 0.00 C ATOM 110 N7 A A 4 1.204 -1.811 -3.687 1.00 0.00 N ATOM 111 C5 A A 4 1.239 -0.818 -2.719 1.00 0.00 C ATOM 112 C6 A A 4 0.719 -0.749 -1.415 1.00 0.00 C ATOM 113 N6 A A 4 0.031 -1.737 -0.838 1.00 0.00 N ATOM 114 N1 A A 4 0.931 0.386 -0.713 1.00 0.00 N ATOM 115 C2 A A 4 1.621 1.378 -1.292 1.00 0.00 C ATOM 116 N3 A A 4 2.159 1.431 -2.508 1.00 0.00 N ATOM 117 C4 A A 4 1.929 0.289 -3.178 1.00 0.00 C ATOM 0 H5' A A 4 2.885 -0.912 -8.960 1.00 0.00 H new ATOM 0 H5'' A A 4 4.483 -1.590 -8.719 1.00 0.00 H new ATOM 0 H4' A A 4 4.453 0.669 -8.036 1.00 0.00 H new ATOM 0 H3' A A 4 4.866 -1.331 -5.817 1.00 0.00 H new ATOM 0 H2' A A 4 4.936 0.513 -4.173 1.00 0.00 H new ATOM 0 HO2' A A 4 4.923 2.667 -4.846 1.00 0.00 H new ATOM 0 H1' A A 4 2.787 1.871 -5.129 1.00 0.00 H new ATOM 0 H8 A A 4 2.032 -1.816 -5.623 1.00 0.00 H new ATOM 0 H61 A A 4 -0.321 -1.626 0.113 1.00 0.00 H new ATOM 0 H62 A A 4 -0.143 -2.603 -1.348 1.00 0.00 H new ATOM 0 H2 A A 4 1.760 2.260 -0.685 1.00 0.00 H new ATOM 129 P U A 5 7.450 -1.020 -5.854 1.00 0.00 P ATOM 130 OP1 U A 5 8.732 -0.761 -6.557 1.00 0.00 O ATOM 131 OP2 U A 5 6.987 -2.418 -5.663 1.00 0.00 O ATOM 132 O5' U A 5 7.517 -0.317 -4.426 1.00 0.00 O ATOM 133 C5' U A 5 7.761 1.082 -4.305 1.00 0.00 C ATOM 134 C4' U A 5 7.612 1.511 -2.865 1.00 0.00 C ATOM 135 O4' U A 5 6.214 1.392 -2.486 1.00 0.00 O ATOM 136 C3' U A 5 8.364 0.651 -1.859 1.00 0.00 C ATOM 137 O3' U A 5 9.695 1.115 -1.671 1.00 0.00 O ATOM 138 C2' U A 5 7.523 0.794 -0.597 1.00 0.00 C ATOM 139 O2' U A 5 7.789 2.018 0.060 1.00 0.00 O ATOM 140 C1' U A 5 6.112 0.855 -1.179 1.00 0.00 C ATOM 141 N1 U A 5 5.446 -0.452 -1.277 1.00 0.00 N ATOM 142 C2 U A 5 4.602 -0.835 -0.248 1.00 0.00 C ATOM 143 O2 U A 5 4.402 -0.145 0.741 1.00 0.00 O ATOM 144 N3 U A 5 4.001 -2.058 -0.420 1.00 0.00 N ATOM 145 C4 U A 5 4.155 -2.917 -1.487 1.00 0.00 C ATOM 146 O4 U A 5 3.540 -3.984 -1.500 1.00 0.00 O ATOM 147 C5 U A 5 5.049 -2.450 -2.500 1.00 0.00 C ATOM 148 C6 U A 5 5.652 -1.266 -2.366 1.00 0.00 C ATOM 0 H5' U A 5 7.063 1.637 -4.932 1.00 0.00 H new ATOM 0 H5'' U A 5 8.764 1.316 -4.661 1.00 0.00 H new ATOM 0 H4' U A 5 8.014 2.524 -2.830 1.00 0.00 H new ATOM 0 H3' U A 5 8.480 -0.386 -2.175 1.00 0.00 H new ATOM 0 H2' U A 5 7.702 0.002 0.130 1.00 0.00 H new ATOM 0 HO2' U A 5 8.535 1.899 0.685 1.00 0.00 H new ATOM 0 H1' U A 5 5.510 1.465 -0.505 1.00 0.00 H new ATOM 0 H3 U A 5 3.372 -2.364 0.323 1.00 0.00 H new ATOM 0 H5 U A 5 5.237 -3.055 -3.374 1.00 0.00 H new ATOM 0 H6 U A 5 6.327 -0.935 -3.142 1.00 0.00 H new ATOM 159 P C A 6 10.586 0.517 -0.476 1.00 0.00 P ATOM 160 OP1 C A 6 11.852 1.293 -0.435 1.00 0.00 O ATOM 161 OP2 C A 6 10.637 -0.960 -0.625 1.00 0.00 O ATOM 162 O5' C A 6 9.752 0.859 0.838 1.00 0.00 O ATOM 163 C5' C A 6 10.264 0.551 2.130 1.00 0.00 C ATOM 164 C4' C A 6 9.127 0.258 3.085 1.00 0.00 C ATOM 165 O4' C A 6 7.901 0.077 2.329 1.00 0.00 O ATOM 166 C3' C A 6 9.255 -1.029 3.886 1.00 0.00 C ATOM 167 O3' C A 6 10.064 -0.847 5.043 1.00 0.00 O ATOM 168 C2' C A 6 7.807 -1.345 4.237 1.00 0.00 C ATOM 169 O2' C A 6 7.362 -0.570 5.329 1.00 0.00 O ATOM 170 C1' C A 6 7.074 -0.872 2.982 1.00 0.00 C ATOM 171 N1 C A 6 6.785 -1.962 2.040 1.00 0.00 N ATOM 172 C2 C A 6 5.524 -2.563 2.060 1.00 0.00 C ATOM 173 O2 C A 6 4.679 -2.156 2.871 1.00 0.00 O ATOM 174 N3 C A 6 5.259 -3.571 1.197 1.00 0.00 N ATOM 175 C4 C A 6 6.198 -3.978 0.340 1.00 0.00 C ATOM 176 N4 C A 6 5.894 -4.975 -0.494 1.00 0.00 N ATOM 177 C5 C A 6 7.491 -3.381 0.298 1.00 0.00 C ATOM 178 C6 C A 6 7.737 -2.385 1.159 1.00 0.00 C ATOM 0 H5' C A 6 10.856 1.386 2.503 1.00 0.00 H new ATOM 0 H5'' C A 6 10.930 -0.310 2.070 1.00 0.00 H new ATOM 0 H4' C A 6 9.137 1.107 3.768 1.00 0.00 H new ATOM 0 H3' C A 6 9.746 -1.836 3.342 1.00 0.00 H new ATOM 0 H2' C A 6 7.654 -2.389 4.509 1.00 0.00 H new ATOM 0 HO2' C A 6 8.100 -0.018 5.661 1.00 0.00 H new ATOM 0 H1' C A 6 6.118 -0.450 3.292 1.00 0.00 H new ATOM 0 H41 C A 6 6.588 -5.311 -1.162 1.00 0.00 H new ATOM 0 H42 C A 6 4.968 -5.401 -0.463 1.00 0.00 H new ATOM 0 H5 C A 6 8.243 -3.718 -0.400 1.00 0.00 H new ATOM 0 H6 C A 6 8.706 -1.908 1.156 1.00 0.00 H new ATOM 190 P A A 7 10.934 -2.074 5.613 1.00 0.00 P ATOM 191 OP1 A A 7 12.361 -1.669 5.551 1.00 0.00 O ATOM 192 OP2 A A 7 10.495 -3.321 4.936 1.00 0.00 O ATOM 193 O5' A A 7 10.512 -2.164 7.147 1.00 0.00 O ATOM 194 C5' A A 7 10.411 -3.423 7.807 1.00 0.00 C ATOM 195 C4' A A 7 9.646 -3.267 9.103 1.00 0.00 C ATOM 196 O4' A A 7 9.675 -1.861 9.473 1.00 0.00 O ATOM 197 C3' A A 7 8.169 -3.643 9.040 1.00 0.00 C ATOM 198 O3' A A 7 7.713 -4.168 10.282 1.00 0.00 O ATOM 199 C2' A A 7 7.490 -2.323 8.698 1.00 0.00 C ATOM 200 O2' A A 7 6.179 -2.270 9.225 1.00 0.00 O ATOM 201 C1' A A 7 8.363 -1.334 9.465 1.00 0.00 C ATOM 202 N9 A A 7 8.414 0.003 8.873 1.00 0.00 N ATOM 203 C8 A A 7 8.525 0.330 7.544 1.00 0.00 C ATOM 204 N7 A A 7 8.551 1.621 7.318 1.00 0.00 N ATOM 205 C5 A A 7 8.450 2.183 8.583 1.00 0.00 C ATOM 206 C6 A A 7 8.422 3.516 9.026 1.00 0.00 C ATOM 207 N6 A A 7 8.497 4.571 8.210 1.00 0.00 N ATOM 208 N1 A A 7 8.312 3.734 10.355 1.00 0.00 N ATOM 209 C2 A A 7 8.238 2.677 11.174 1.00 0.00 C ATOM 210 N3 A A 7 8.255 1.379 10.877 1.00 0.00 N ATOM 211 C4 A A 7 8.364 1.198 9.550 1.00 0.00 C ATOM 0 H5' A A 7 11.407 -3.819 8.008 1.00 0.00 H new ATOM 0 H5'' A A 7 9.907 -4.142 7.161 1.00 0.00 H new ATOM 0 H4' A A 7 10.131 -3.943 9.808 1.00 0.00 H new ATOM 0 H3' A A 7 7.956 -4.427 8.314 1.00 0.00 H new ATOM 0 H2' A A 7 7.402 -2.147 7.626 1.00 0.00 H new ATOM 0 HO2' A A 7 5.555 -1.995 8.522 1.00 0.00 H new ATOM 0 H1' A A 7 7.932 -1.216 10.459 1.00 0.00 H new ATOM 0 H8 A A 7 8.585 -0.408 6.758 1.00 0.00 H new ATOM 0 H61 A A 7 8.471 5.516 8.594 1.00 0.00 H new ATOM 0 H62 A A 7 8.580 4.432 7.203 1.00 0.00 H new ATOM 0 H2 A A 7 8.152 2.911 12.225 1.00 0.00 H new ATOM 223 P C A 8 7.767 -5.753 10.546 1.00 0.00 P ATOM 224 OP1 C A 8 7.348 -5.984 11.952 1.00 0.00 O ATOM 225 OP2 C A 8 9.084 -6.259 10.081 1.00 0.00 O ATOM 226 O5' C A 8 6.637 -6.343 9.590 1.00 0.00 O ATOM 227 C5' C A 8 5.265 -6.015 9.791 1.00 0.00 C ATOM 228 C4' C A 8 4.411 -6.687 8.742 1.00 0.00 C ATOM 229 O4' C A 8 4.832 -6.215 7.430 1.00 0.00 O ATOM 230 C3' C A 8 4.529 -8.210 8.686 1.00 0.00 C ATOM 231 O3' C A 8 3.294 -8.826 8.341 1.00 0.00 O ATOM 232 C2' C A 8 5.572 -8.429 7.599 1.00 0.00 C ATOM 233 O2' C A 8 5.394 -9.676 6.954 1.00 0.00 O ATOM 234 C1' C A 8 5.199 -7.318 6.628 1.00 0.00 C ATOM 235 N1 C A 8 6.288 -6.910 5.728 1.00 0.00 N ATOM 236 C2 C A 8 6.688 -7.790 4.719 1.00 0.00 C ATOM 237 O2 C A 8 6.108 -8.881 4.612 1.00 0.00 O ATOM 238 N3 C A 8 7.693 -7.431 3.888 1.00 0.00 N ATOM 239 C4 C A 8 8.291 -6.248 4.039 1.00 0.00 C ATOM 240 N4 C A 8 9.280 -5.935 3.198 1.00 0.00 N ATOM 241 C5 C A 8 7.903 -5.331 5.059 1.00 0.00 C ATOM 242 C6 C A 8 6.904 -5.698 5.871 1.00 0.00 C ATOM 0 H5' C A 8 5.131 -4.934 9.743 1.00 0.00 H new ATOM 0 H5'' C A 8 4.949 -6.331 10.785 1.00 0.00 H new ATOM 0 H4' C A 8 3.384 -6.436 9.010 1.00 0.00 H new ATOM 0 H3' C A 8 4.801 -8.648 9.646 1.00 0.00 H new ATOM 0 H2' C A 8 6.598 -8.422 7.968 1.00 0.00 H new ATOM 0 HO2' C A 8 5.386 -9.544 5.983 1.00 0.00 H new ATOM 0 H1' C A 8 4.403 -7.678 5.977 1.00 0.00 H new ATOM 0 H41 C A 8 9.759 -5.039 3.285 1.00 0.00 H new ATOM 0 H42 C A 8 9.556 -6.592 2.469 1.00 0.00 H new ATOM 0 H5 C A 8 8.396 -4.377 5.172 1.00 0.00 H new ATOM 0 H6 C A 8 6.579 -5.026 6.652 1.00 0.00 H new ATOM 254 P G A 9 2.122 -8.937 9.434 1.00 0.00 P ATOM 255 OP1 G A 9 2.394 -7.931 10.492 1.00 0.00 O ATOM 256 OP2 G A 9 1.965 -10.366 9.803 1.00 0.00 O ATOM 257 O5' G A 9 0.820 -8.482 8.637 1.00 0.00 O ATOM 258 C5' G A 9 0.659 -7.133 8.209 1.00 0.00 C ATOM 259 C4' G A 9 0.485 -6.229 9.405 1.00 0.00 C ATOM 260 O4' G A 9 1.768 -5.658 9.765 1.00 0.00 O ATOM 261 C3' G A 9 -0.408 -5.018 9.186 1.00 0.00 C ATOM 262 O3' G A 9 -1.784 -5.352 9.346 1.00 0.00 O ATOM 263 C2' G A 9 0.080 -4.043 10.253 1.00 0.00 C ATOM 264 O2' G A 9 -0.488 -4.340 11.514 1.00 0.00 O ATOM 265 C1' G A 9 1.576 -4.365 10.308 1.00 0.00 C ATOM 266 N9 G A 9 2.405 -3.425 9.563 1.00 0.00 N ATOM 267 C8 G A 9 2.911 -2.237 10.026 1.00 0.00 C ATOM 268 N7 G A 9 3.621 -1.597 9.139 1.00 0.00 N ATOM 269 C5 G A 9 3.585 -2.416 8.018 1.00 0.00 C ATOM 270 C6 G A 9 4.176 -2.251 6.739 1.00 0.00 C ATOM 271 O6 G A 9 4.873 -1.315 6.328 1.00 0.00 O ATOM 272 N1 G A 9 3.888 -3.322 5.899 1.00 0.00 N ATOM 273 C2 G A 9 3.125 -4.411 6.244 1.00 0.00 C ATOM 274 N2 G A 9 2.957 -5.341 5.293 1.00 0.00 N ATOM 275 N3 G A 9 2.568 -4.578 7.433 1.00 0.00 N ATOM 276 C4 G A 9 2.837 -3.550 8.264 1.00 0.00 C ATOM 0 H5' G A 9 -0.207 -7.052 7.553 1.00 0.00 H new ATOM 0 H5'' G A 9 1.528 -6.820 7.630 1.00 0.00 H new ATOM 0 H4' G A 9 0.033 -6.876 10.157 1.00 0.00 H new ATOM 0 H3' G A 9 -0.346 -4.605 8.179 1.00 0.00 H new ATOM 0 H2' G A 9 -0.170 -3.006 10.030 1.00 0.00 H new ATOM 0 HO2' G A 9 -1.301 -4.872 11.389 1.00 0.00 H new ATOM 0 H1' G A 9 1.882 -4.299 11.352 1.00 0.00 H new ATOM 0 H8 G A 9 2.738 -1.868 11.026 1.00 0.00 H new ATOM 0 H1 G A 9 4.273 -3.297 4.955 1.00 0.00 H new ATOM 0 H21 G A 9 2.401 -6.174 5.487 1.00 0.00 H new ATOM 0 H22 G A 9 3.385 -5.216 4.376 1.00 0.00 H new ATOM 288 P G A 10 -2.884 -4.713 8.361 1.00 0.00 P ATOM 289 OP1 G A 10 -4.146 -5.469 8.566 1.00 0.00 O ATOM 290 OP2 G A 10 -2.299 -4.620 6.999 1.00 0.00 O ATOM 291 O5' G A 10 -3.099 -3.240 8.929 1.00 0.00 O ATOM 292 C5' G A 10 -3.036 -2.100 8.074 1.00 0.00 C ATOM 293 C4' G A 10 -1.895 -1.205 8.487 1.00 0.00 C ATOM 294 O4' G A 10 -0.645 -1.909 8.259 1.00 0.00 O ATOM 295 C3' G A 10 -1.771 0.085 7.690 1.00 0.00 C ATOM 296 O3' G A 10 -2.568 1.118 8.263 1.00 0.00 O ATOM 297 C2' G A 10 -0.279 0.386 7.768 1.00 0.00 C ATOM 298 O2' G A 10 0.058 0.971 9.011 1.00 0.00 O ATOM 299 C1' G A 10 0.315 -1.021 7.718 1.00 0.00 C ATOM 300 N9 G A 10 0.646 -1.481 6.373 1.00 0.00 N ATOM 301 C8 G A 10 0.246 -2.656 5.785 1.00 0.00 C ATOM 302 N7 G A 10 0.707 -2.811 4.575 1.00 0.00 N ATOM 303 C5 G A 10 1.454 -1.664 4.344 1.00 0.00 C ATOM 304 C6 G A 10 2.190 -1.265 3.200 1.00 0.00 C ATOM 305 O6 G A 10 2.329 -1.863 2.129 1.00 0.00 O ATOM 306 N1 G A 10 2.804 -0.031 3.390 1.00 0.00 N ATOM 307 C2 G A 10 2.715 0.726 4.534 1.00 0.00 C ATOM 308 N2 G A 10 3.378 1.892 4.525 1.00 0.00 N ATOM 309 N3 G A 10 2.027 0.367 5.607 1.00 0.00 N ATOM 310 C4 G A 10 1.427 -0.832 5.444 1.00 0.00 C ATOM 0 H5' G A 10 -3.975 -1.549 8.120 1.00 0.00 H new ATOM 0 H5'' G A 10 -2.903 -2.418 7.040 1.00 0.00 H new ATOM 0 H4' G A 10 -2.097 -0.954 9.528 1.00 0.00 H new ATOM 0 H3' G A 10 -2.127 0.007 6.663 1.00 0.00 H new ATOM 0 H2' G A 10 0.064 1.072 6.994 1.00 0.00 H new ATOM 0 HO2' G A 10 -0.739 1.382 9.406 1.00 0.00 H new ATOM 0 H1' G A 10 1.248 -0.997 8.281 1.00 0.00 H new ATOM 0 H8 G A 10 -0.388 -3.380 6.276 1.00 0.00 H new ATOM 0 H1 G A 10 3.363 0.340 2.622 1.00 0.00 H new ATOM 0 H21 G A 10 3.352 2.500 5.344 1.00 0.00 H new ATOM 0 H22 G A 10 3.908 2.171 3.700 1.00 0.00 H new ATOM 322 P U A 11 -3.568 1.967 7.333 1.00 0.00 P ATOM 323 OP1 U A 11 -4.445 2.759 8.232 1.00 0.00 O ATOM 324 OP2 U A 11 -4.177 1.053 6.333 1.00 0.00 O ATOM 325 O5' U A 11 -2.604 2.977 6.568 1.00 0.00 O ATOM 326 C5' U A 11 -1.985 4.058 7.258 1.00 0.00 C ATOM 327 C4' U A 11 -1.031 4.779 6.337 1.00 0.00 C ATOM 328 O4' U A 11 0.018 3.852 5.948 1.00 0.00 O ATOM 329 C3' U A 11 -1.632 5.258 5.023 1.00 0.00 C ATOM 330 O3' U A 11 -2.219 6.548 5.155 1.00 0.00 O ATOM 331 C2' U A 11 -0.425 5.264 4.094 1.00 0.00 C ATOM 332 O2' U A 11 0.387 6.401 4.316 1.00 0.00 O ATOM 333 C1' U A 11 0.329 4.028 4.579 1.00 0.00 C ATOM 334 N1 U A 11 -0.033 2.797 3.862 1.00 0.00 N ATOM 335 C2 U A 11 0.481 2.619 2.591 1.00 0.00 C ATOM 336 O2 U A 11 1.202 3.439 2.049 1.00 0.00 O ATOM 337 N3 U A 11 0.120 1.444 1.979 1.00 0.00 N ATOM 338 C4 U A 11 -0.684 0.451 2.497 1.00 0.00 C ATOM 339 O4 U A 11 -0.912 -0.557 1.826 1.00 0.00 O ATOM 340 C5 U A 11 -1.180 0.713 3.811 1.00 0.00 C ATOM 341 C6 U A 11 -0.853 1.849 4.436 1.00 0.00 C ATOM 0 H5' U A 11 -1.449 3.684 8.130 1.00 0.00 H new ATOM 0 H5'' U A 11 -2.744 4.750 7.623 1.00 0.00 H new ATOM 0 H4' U A 11 -0.700 5.650 6.903 1.00 0.00 H new ATOM 0 H3' U A 11 -2.447 4.632 4.659 1.00 0.00 H new ATOM 0 H2' U A 11 -0.693 5.273 3.038 1.00 0.00 H new ATOM 0 HO2' U A 11 1.155 6.378 3.708 1.00 0.00 H new ATOM 0 H1' U A 11 1.391 4.197 4.400 1.00 0.00 H new ATOM 0 H3 U A 11 0.486 1.289 1.040 1.00 0.00 H new ATOM 0 H5 U A 11 -1.820 -0.007 4.300 1.00 0.00 H new ATOM 0 H6 U A 11 -1.245 2.030 5.426 1.00 0.00 H new ATOM 352 P A A 12 -3.431 6.978 4.190 1.00 0.00 P ATOM 353 OP1 A A 12 -3.940 8.286 4.676 1.00 0.00 O ATOM 354 OP2 A A 12 -4.364 5.829 4.066 1.00 0.00 O ATOM 355 O5' A A 12 -2.736 7.213 2.776 1.00 0.00 O ATOM 356 C5' A A 12 -1.788 8.260 2.595 1.00 0.00 C ATOM 357 C4' A A 12 -1.195 8.194 1.207 1.00 0.00 C ATOM 358 O4' A A 12 -0.536 6.908 1.041 1.00 0.00 O ATOM 359 C3' A A 12 -2.193 8.258 0.059 1.00 0.00 C ATOM 360 O3' A A 12 -2.508 9.602 -0.289 1.00 0.00 O ATOM 361 C2' A A 12 -1.455 7.531 -1.057 1.00 0.00 C ATOM 362 O2' A A 12 -0.470 8.359 -1.643 1.00 0.00 O ATOM 363 C1' A A 12 -0.756 6.423 -0.272 1.00 0.00 C ATOM 364 N9 A A 12 -1.533 5.187 -0.184 1.00 0.00 N ATOM 365 C8 A A 12 -2.299 4.739 0.865 1.00 0.00 C ATOM 366 N7 A A 12 -2.869 3.579 0.645 1.00 0.00 N ATOM 367 C5 A A 12 -2.458 3.243 -0.637 1.00 0.00 C ATOM 368 C6 A A 12 -2.723 2.131 -1.452 1.00 0.00 C ATOM 369 N6 A A 12 -3.495 1.108 -1.081 1.00 0.00 N ATOM 370 N1 A A 12 -2.159 2.104 -2.679 1.00 0.00 N ATOM 371 C2 A A 12 -1.383 3.130 -3.052 1.00 0.00 C ATOM 372 N3 A A 12 -1.060 4.230 -2.375 1.00 0.00 N ATOM 373 C4 A A 12 -1.637 4.225 -1.160 1.00 0.00 C ATOM 0 H5' A A 12 -0.997 8.177 3.340 1.00 0.00 H new ATOM 0 H5'' A A 12 -2.269 9.226 2.747 1.00 0.00 H new ATOM 0 H4' A A 12 -0.545 9.067 1.152 1.00 0.00 H new ATOM 0 H3' A A 12 -3.159 7.812 0.294 1.00 0.00 H new ATOM 0 H2' A A 12 -2.106 7.203 -1.867 1.00 0.00 H new ATOM 0 HO2' A A 12 -0.011 7.867 -2.355 1.00 0.00 H new ATOM 0 H1' A A 12 0.168 6.176 -0.796 1.00 0.00 H new ATOM 0 H8 A A 12 -2.420 5.291 1.785 1.00 0.00 H new ATOM 0 H61 A A 12 -3.649 0.328 -1.720 1.00 0.00 H new ATOM 0 H62 A A 12 -3.931 1.106 -0.159 1.00 0.00 H new ATOM 0 H2 A A 12 -0.959 3.054 -4.042 1.00 0.00 H new ATOM 385 P C A 13 -3.900 9.932 -1.024 1.00 0.00 P ATOM 386 OP1 C A 13 -4.036 11.410 -1.070 1.00 0.00 O ATOM 387 OP2 C A 13 -4.969 9.117 -0.394 1.00 0.00 O ATOM 388 O5' C A 13 -3.685 9.411 -2.514 1.00 0.00 O ATOM 389 C5' C A 13 -2.804 10.089 -3.405 1.00 0.00 C ATOM 390 C4' C A 13 -2.801 9.410 -4.754 1.00 0.00 C ATOM 391 O4' C A 13 -2.360 8.035 -4.593 1.00 0.00 O ATOM 392 C3' C A 13 -4.159 9.289 -5.430 1.00 0.00 C ATOM 393 O3' C A 13 -4.499 10.466 -6.153 1.00 0.00 O ATOM 394 C2' C A 13 -3.961 8.092 -6.350 1.00 0.00 C ATOM 395 O2' C A 13 -3.242 8.452 -7.513 1.00 0.00 O ATOM 396 C1' C A 13 -3.072 7.197 -5.487 1.00 0.00 C ATOM 397 N1 C A 13 -3.825 6.210 -4.699 1.00 0.00 N ATOM 398 C2 C A 13 -4.131 4.976 -5.278 1.00 0.00 C ATOM 399 O2 C A 13 -3.766 4.754 -6.442 1.00 0.00 O ATOM 400 N3 C A 13 -4.816 4.060 -4.557 1.00 0.00 N ATOM 401 C4 C A 13 -5.191 4.340 -3.307 1.00 0.00 C ATOM 402 N4 C A 13 -5.864 3.405 -2.633 1.00 0.00 N ATOM 403 C5 C A 13 -4.894 5.591 -2.692 1.00 0.00 C ATOM 404 C6 C A 13 -4.218 6.489 -3.420 1.00 0.00 C ATOM 0 H5' C A 13 -1.795 10.099 -2.993 1.00 0.00 H new ATOM 0 H5'' C A 13 -3.114 11.128 -3.514 1.00 0.00 H new ATOM 0 H4' C A 13 -2.155 10.040 -5.366 1.00 0.00 H new ATOM 0 H3' C A 13 -4.983 9.162 -4.727 1.00 0.00 H new ATOM 0 H2' C A 13 -4.897 7.648 -6.688 1.00 0.00 H new ATOM 0 HO2' C A 13 -3.128 7.664 -8.084 1.00 0.00 H new ATOM 0 H1' C A 13 -2.417 6.637 -6.154 1.00 0.00 H new ATOM 0 H41 C A 13 -6.166 3.585 -1.676 1.00 0.00 H new ATOM 0 H42 C A 13 -6.076 2.511 -3.075 1.00 0.00 H new ATOM 0 H5 C A 13 -5.202 5.806 -1.679 1.00 0.00 H new ATOM 0 H6 C A 13 -3.979 7.450 -2.989 1.00 0.00 H new ATOM 416 P C A 14 -6.045 10.855 -6.360 1.00 0.00 P ATOM 417 OP1 C A 14 -6.083 12.146 -7.093 1.00 0.00 O ATOM 418 OP2 C A 14 -6.737 10.733 -5.052 1.00 0.00 O ATOM 419 O5' C A 14 -6.600 9.719 -7.329 1.00 0.00 O ATOM 420 C5' C A 14 -6.115 9.592 -8.662 1.00 0.00 C ATOM 421 C4' C A 14 -6.730 8.383 -9.327 1.00 0.00 C ATOM 422 O4' C A 14 -6.304 7.186 -8.628 1.00 0.00 O ATOM 423 C3' C A 14 -8.248 8.312 -9.282 1.00 0.00 C ATOM 424 O3' C A 14 -8.860 9.084 -10.319 1.00 0.00 O ATOM 425 C2' C A 14 -8.515 6.819 -9.441 1.00 0.00 C ATOM 426 O2' C A 14 -8.433 6.428 -10.798 1.00 0.00 O ATOM 427 C1' C A 14 -7.328 6.210 -8.690 1.00 0.00 C ATOM 428 N1 C A 14 -7.652 5.791 -7.317 1.00 0.00 N ATOM 429 C2 C A 14 -8.096 4.483 -7.097 1.00 0.00 C ATOM 430 O2 C A 14 -8.206 3.717 -8.065 1.00 0.00 O ATOM 431 N3 C A 14 -8.393 4.090 -5.837 1.00 0.00 N ATOM 432 C4 C A 14 -8.261 4.947 -4.822 1.00 0.00 C ATOM 433 N4 C A 14 -8.563 4.518 -3.595 1.00 0.00 N ATOM 434 C5 C A 14 -7.811 6.286 -5.019 1.00 0.00 C ATOM 435 C6 C A 14 -7.523 6.661 -6.272 1.00 0.00 C ATOM 0 H5' C A 14 -5.029 9.499 -8.654 1.00 0.00 H new ATOM 0 H5'' C A 14 -6.354 10.490 -9.231 1.00 0.00 H new ATOM 0 H4' C A 14 -6.406 8.461 -10.365 1.00 0.00 H new ATOM 0 H3' C A 14 -8.669 8.730 -8.368 1.00 0.00 H new ATOM 0 H2' C A 14 -9.501 6.521 -9.085 1.00 0.00 H new ATOM 0 HO2' C A 14 -8.676 7.185 -11.372 1.00 0.00 H new ATOM 0 HO3' C A 14 -9.835 9.007 -10.252 1.00 0.00 H new ATOM 0 H1' C A 14 -7.024 5.315 -9.233 1.00 0.00 H new ATOM 0 H41 C A 14 -8.473 5.148 -2.798 1.00 0.00 H new ATOM 0 H42 C A 14 -8.884 3.560 -3.454 1.00 0.00 H new ATOM 0 H5 C A 14 -7.707 6.971 -4.190 1.00 0.00 H new ATOM 0 H6 C A 14 -7.183 7.669 -6.459 1.00 0.00 H new TER 448 C A 14