USER MOD reduce.3.24.130724 H: found=0, std=0, add=167, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 167 hydrogens (12 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 -21:sc= 0.194 USER MOD Single : A 1 G O5' : rot -1:sc= -0.936! USER MOD Single : A 2 G O2' : rot -103:sc= 0.374 USER MOD Single : A 3 A O2' : rot -16:sc= -0.144 USER MOD Single : A 4 G O2' : rot -23:sc= 0.152 USER MOD Single : A 5 A O2' : rot -16:sc= 0.155 USER MOD Single : A 6 G O2' : rot -94:sc= 1.36 USER MOD Single : A 7 H2U O2' : rot -52:sc= 0.163 USER MOD Single : A 8 G O2' : rot -26:sc= 0.233 USER MOD Single : A 9 G O2' : rot -70:sc= 0.529 USER MOD Single : A 10 A O2' : rot -8:sc= -2.26! USER MOD Single : A 11 A O2' : rot -170:sc= -2.68! USER MOD Single : A 12 C O2' : rot -22:sc= 0.143 USER MOD Single : A 13 U O2' : rot 180:sc= -1.42 USER MOD Single : A 14 C O2' : rot -18:sc= 0.173 USER MOD Single : A 15 C O2' : rot -13:sc= 0.158 USER MOD Single : A 15 C O3' : rot 180:sc= 0.161 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 24.183 17.695 19.956 1.00 0.00 O ATOM 2 C5' G A 1 23.652 17.640 18.630 1.00 0.00 C ATOM 3 C4' G A 1 22.707 18.798 18.329 1.00 0.00 C ATOM 4 O4' G A 1 21.578 18.785 19.206 1.00 0.00 O ATOM 5 C3' G A 1 23.420 20.135 18.495 1.00 0.00 C ATOM 6 O3' G A 1 24.006 20.569 17.264 1.00 0.00 O ATOM 7 C2' G A 1 22.275 21.051 18.915 1.00 0.00 C ATOM 8 O2' G A 1 21.561 21.537 17.775 1.00 0.00 O ATOM 9 C1' G A 1 21.429 20.097 19.753 1.00 0.00 C ATOM 10 N9 G A 1 21.872 20.121 21.159 1.00 0.00 N ATOM 11 C8 G A 1 22.628 19.206 21.845 1.00 0.00 C ATOM 12 N7 G A 1 22.867 19.526 23.086 1.00 0.00 N ATOM 13 C5 G A 1 22.219 20.749 23.228 1.00 0.00 C ATOM 14 C6 G A 1 22.132 21.594 24.364 1.00 0.00 C ATOM 15 O6 G A 1 22.632 21.435 25.475 1.00 0.00 O ATOM 16 N1 G A 1 21.391 22.737 24.097 1.00 0.00 N ATOM 17 C2 G A 1 20.802 23.035 22.883 1.00 0.00 C ATOM 18 N2 G A 1 20.125 24.182 22.825 1.00 0.00 N ATOM 19 N3 G A 1 20.887 22.242 21.809 1.00 0.00 N ATOM 20 C4 G A 1 21.606 21.123 22.062 1.00 0.00 C ATOM 0 H5' G A 1 23.121 16.698 18.494 1.00 0.00 H new ATOM 0 H5'' G A 1 24.473 17.650 17.913 1.00 0.00 H new ATOM 0 H4' G A 1 22.373 18.676 17.298 1.00 0.00 H new ATOM 0 H3' G A 1 24.247 20.108 19.204 1.00 0.00 H new ATOM 0 H2' G A 1 22.583 21.951 19.447 1.00 0.00 H new ATOM 0 HO2' G A 1 22.131 21.472 16.980 1.00 0.00 H new ATOM 0 HO5' G A 1 23.844 18.494 20.411 1.00 0.00 H new ATOM 0 H1' G A 1 20.382 20.399 19.729 1.00 0.00 H new ATOM 0 H8 G A 1 22.995 18.296 21.395 1.00 0.00 H new ATOM 0 H1 G A 1 21.272 23.409 24.855 1.00 0.00 H new ATOM 0 H21 G A 1 19.667 24.460 21.957 1.00 0.00 H new ATOM 0 H22 G A 1 20.065 24.781 23.648 1.00 0.00 H new ATOM 33 P G A 2 25.397 21.381 17.287 1.00 0.00 P ATOM 34 OP1 G A 2 25.730 21.746 15.893 1.00 0.00 O ATOM 35 OP2 G A 2 26.368 20.609 18.094 1.00 0.00 O ATOM 36 O5' G A 2 24.994 22.707 18.107 1.00 0.00 O ATOM 37 C5' G A 2 24.193 23.719 17.491 1.00 0.00 C ATOM 38 C4' G A 2 23.529 24.637 18.511 1.00 0.00 C ATOM 39 O4' G A 2 22.914 23.862 19.545 1.00 0.00 O ATOM 40 C3' G A 2 24.553 25.555 19.170 1.00 0.00 C ATOM 41 O3' G A 2 24.739 26.771 18.441 1.00 0.00 O ATOM 42 C2' G A 2 23.905 25.811 20.526 1.00 0.00 C ATOM 43 O2' G A 2 23.017 26.931 20.473 1.00 0.00 O ATOM 44 C1' G A 2 23.156 24.511 20.795 1.00 0.00 C ATOM 45 N9 G A 2 23.941 23.659 21.709 1.00 0.00 N ATOM 46 C8 G A 2 24.478 22.417 21.486 1.00 0.00 C ATOM 47 N7 G A 2 25.164 21.937 22.484 1.00 0.00 N ATOM 48 C5 G A 2 25.073 22.939 23.445 1.00 0.00 C ATOM 49 C6 G A 2 25.630 22.988 24.750 1.00 0.00 C ATOM 50 O6 G A 2 26.292 22.132 25.333 1.00 0.00 O ATOM 51 N1 G A 2 25.311 24.174 25.395 1.00 0.00 N ATOM 52 C2 G A 2 24.551 25.193 24.856 1.00 0.00 C ATOM 53 N2 G A 2 24.342 26.267 25.618 1.00 0.00 N ATOM 54 N3 G A 2 24.022 25.144 23.626 1.00 0.00 N ATOM 55 C4 G A 2 24.332 23.994 22.983 1.00 0.00 C ATOM 0 H5' G A 2 23.426 23.247 16.877 1.00 0.00 H new ATOM 0 H5'' G A 2 24.815 24.314 16.822 1.00 0.00 H new ATOM 0 H4' G A 2 22.786 25.231 17.979 1.00 0.00 H new ATOM 0 H3' G A 2 25.553 25.124 19.224 1.00 0.00 H new ATOM 0 H2' G A 2 24.622 26.059 21.309 1.00 0.00 H new ATOM 0 HO2' G A 2 23.445 27.708 20.890 1.00 0.00 H new ATOM 0 H1' G A 2 22.200 24.711 21.278 1.00 0.00 H new ATOM 0 H8 G A 2 24.343 21.880 20.558 1.00 0.00 H new ATOM 0 H1 G A 2 25.666 24.304 26.342 1.00 0.00 H new ATOM 0 H21 G A 2 23.787 27.045 25.262 1.00 0.00 H new ATOM 0 H22 G A 2 24.738 26.311 26.557 1.00 0.00 H new ATOM 67 P A A 3 26.147 27.552 18.475 1.00 0.00 P ATOM 68 OP1 A A 3 26.245 28.365 17.241 1.00 0.00 O ATOM 69 OP2 A A 3 27.221 26.582 18.787 1.00 0.00 O ATOM 70 O5' A A 3 25.949 28.543 19.728 1.00 0.00 O ATOM 71 C5' A A 3 25.309 29.810 19.550 1.00 0.00 C ATOM 72 C4' A A 3 24.870 30.432 20.871 1.00 0.00 C ATOM 73 O4' A A 3 24.195 29.463 21.678 1.00 0.00 O ATOM 74 C3' A A 3 26.060 30.951 21.669 1.00 0.00 C ATOM 75 O3' A A 3 26.421 32.284 21.301 1.00 0.00 O ATOM 76 C2' A A 3 25.495 30.882 23.084 1.00 0.00 C ATOM 77 O2' A A 3 24.629 31.983 23.367 1.00 0.00 O ATOM 78 C1' A A 3 24.729 29.566 23.002 1.00 0.00 C ATOM 79 N9 A A 3 25.637 28.439 23.288 1.00 0.00 N ATOM 80 C8 A A 3 26.109 27.463 22.449 1.00 0.00 C ATOM 81 N7 A A 3 26.895 26.592 23.018 1.00 0.00 N ATOM 82 C5 A A 3 26.952 27.034 24.336 1.00 0.00 C ATOM 83 C6 A A 3 27.622 26.558 25.475 1.00 0.00 C ATOM 84 N6 A A 3 28.399 25.476 25.445 1.00 0.00 N ATOM 85 N1 A A 3 27.457 27.234 26.619 1.00 0.00 N ATOM 86 C2 A A 3 26.689 28.311 26.661 1.00 0.00 C ATOM 87 N3 A A 3 26.014 28.856 25.660 1.00 0.00 N ATOM 88 C4 A A 3 26.191 28.158 24.514 1.00 0.00 C ATOM 0 H5' A A 3 24.440 29.687 18.903 1.00 0.00 H new ATOM 0 H5'' A A 3 25.992 30.490 19.041 1.00 0.00 H new ATOM 0 H4' A A 3 24.206 31.261 20.625 1.00 0.00 H new ATOM 0 H3' A A 3 26.982 30.390 21.519 1.00 0.00 H new ATOM 0 H2' A A 3 26.242 30.930 23.877 1.00 0.00 H new ATOM 0 HO2' A A 3 24.764 32.686 22.697 1.00 0.00 H new ATOM 0 H1' A A 3 23.923 29.537 23.735 1.00 0.00 H new ATOM 0 H8 A A 3 25.851 27.419 21.401 1.00 0.00 H new ATOM 0 H61 A A 3 28.869 25.162 26.294 1.00 0.00 H new ATOM 0 H62 A A 3 28.524 24.962 24.573 1.00 0.00 H new ATOM 0 H2 A A 3 26.603 28.801 27.620 1.00 0.00 H new ATOM 100 P G A 4 27.921 32.825 21.523 1.00 0.00 P ATOM 101 OP1 G A 4 27.976 34.247 21.118 1.00 0.00 O ATOM 102 OP2 G A 4 28.862 31.862 20.907 1.00 0.00 O ATOM 103 O5' G A 4 28.096 32.748 23.121 1.00 0.00 O ATOM 104 C5' G A 4 27.445 33.689 23.979 1.00 0.00 C ATOM 105 C4' G A 4 27.811 33.489 25.446 1.00 0.00 C ATOM 106 O4' G A 4 27.432 32.183 25.888 1.00 0.00 O ATOM 107 C3' G A 4 29.313 33.638 25.660 1.00 0.00 C ATOM 108 O3' G A 4 29.688 34.998 25.892 1.00 0.00 O ATOM 109 C2' G A 4 29.529 32.762 26.890 1.00 0.00 C ATOM 110 O2' G A 4 29.282 33.481 28.100 1.00 0.00 O ATOM 111 C1' G A 4 28.491 31.662 26.695 1.00 0.00 C ATOM 112 N9 G A 4 29.090 30.472 26.060 1.00 0.00 N ATOM 113 C8 G A 4 29.089 30.117 24.736 1.00 0.00 C ATOM 114 N7 G A 4 29.686 28.985 24.483 1.00 0.00 N ATOM 115 C5 G A 4 30.114 28.565 25.739 1.00 0.00 C ATOM 116 C6 G A 4 30.829 27.393 26.098 1.00 0.00 C ATOM 117 O6 G A 4 31.223 26.489 25.365 1.00 0.00 O ATOM 118 N1 G A 4 31.071 27.335 27.464 1.00 0.00 N ATOM 119 C2 G A 4 30.670 28.290 28.378 1.00 0.00 C ATOM 120 N2 G A 4 31.001 28.074 29.651 1.00 0.00 N ATOM 121 N3 G A 4 29.994 29.396 28.042 1.00 0.00 N ATOM 122 C4 G A 4 29.755 29.461 26.711 1.00 0.00 C ATOM 0 H5' G A 4 26.365 33.597 23.861 1.00 0.00 H new ATOM 0 H5'' G A 4 27.714 34.701 23.675 1.00 0.00 H new ATOM 0 H4' G A 4 27.277 34.250 26.016 1.00 0.00 H new ATOM 0 H3' G A 4 29.917 33.348 24.800 1.00 0.00 H new ATOM 0 H2' G A 4 30.552 32.396 26.980 1.00 0.00 H new ATOM 0 HO2' G A 4 29.382 34.442 27.936 1.00 0.00 H new ATOM 0 H1' G A 4 28.104 31.349 27.665 1.00 0.00 H new ATOM 0 H8 G A 4 28.633 30.723 23.967 1.00 0.00 H new ATOM 0 H1 G A 4 31.583 26.527 27.819 1.00 0.00 H new ATOM 0 H21 G A 4 30.731 28.746 30.369 1.00 0.00 H new ATOM 0 H22 G A 4 31.524 27.237 29.907 1.00 0.00 H new ATOM 134 P A A 5 31.179 35.509 25.563 1.00 0.00 P ATOM 135 OP1 A A 5 31.146 36.981 25.410 1.00 0.00 O ATOM 136 OP2 A A 5 31.735 34.683 24.467 1.00 0.00 O ATOM 137 O5' A A 5 31.952 35.147 26.927 1.00 0.00 O ATOM 138 C5' A A 5 33.239 34.525 26.901 1.00 0.00 C ATOM 139 C4' A A 5 33.545 33.824 28.221 1.00 0.00 C ATOM 140 O4' A A 5 32.575 32.806 28.476 1.00 0.00 O ATOM 141 C3' A A 5 34.928 33.181 28.206 1.00 0.00 C ATOM 142 O3' A A 5 35.941 34.056 28.713 1.00 0.00 O ATOM 143 C2' A A 5 34.718 31.976 29.117 1.00 0.00 C ATOM 144 O2' A A 5 34.855 32.341 30.492 1.00 0.00 O ATOM 145 C1' A A 5 33.278 31.599 28.783 1.00 0.00 C ATOM 146 N9 A A 5 33.252 30.667 27.640 1.00 0.00 N ATOM 147 C8 A A 5 32.742 30.855 26.382 1.00 0.00 C ATOM 148 N7 A A 5 32.914 29.845 25.575 1.00 0.00 N ATOM 149 C5 A A 5 33.593 28.921 26.363 1.00 0.00 C ATOM 150 C6 A A 5 34.076 27.625 26.115 1.00 0.00 C ATOM 151 N6 A A 5 33.938 27.006 24.943 1.00 0.00 N ATOM 152 N1 A A 5 34.696 26.997 27.122 1.00 0.00 N ATOM 153 C2 A A 5 34.840 27.581 28.302 1.00 0.00 C ATOM 154 N3 A A 5 34.428 28.789 28.654 1.00 0.00 N ATOM 155 C4 A A 5 33.803 29.409 27.626 1.00 0.00 C ATOM 0 H5' A A 5 34.004 35.275 26.700 1.00 0.00 H new ATOM 0 H5'' A A 5 33.279 33.803 26.086 1.00 0.00 H new ATOM 0 H4' A A 5 33.514 34.582 29.004 1.00 0.00 H new ATOM 0 H3' A A 5 35.279 32.928 27.205 1.00 0.00 H new ATOM 0 H2' A A 5 35.436 31.169 28.970 1.00 0.00 H new ATOM 0 HO2' A A 5 35.300 33.212 30.557 1.00 0.00 H new ATOM 0 H1' A A 5 32.803 31.097 29.626 1.00 0.00 H new ATOM 0 H8 A A 5 32.240 31.763 26.084 1.00 0.00 H new ATOM 0 H61 A A 5 34.308 26.064 24.817 1.00 0.00 H new ATOM 0 H62 A A 5 33.462 27.474 24.172 1.00 0.00 H new ATOM 0 H2 A A 5 35.350 27.008 29.062 1.00 0.00 H new ATOM 167 P G A 6 37.403 34.110 28.041 1.00 0.00 P ATOM 168 OP1 G A 6 38.344 34.752 28.986 1.00 0.00 O ATOM 169 OP2 G A 6 37.269 34.667 26.677 1.00 0.00 O ATOM 170 O5' G A 6 37.784 32.550 27.920 1.00 0.00 O ATOM 171 C5' G A 6 38.172 31.802 29.075 1.00 0.00 C ATOM 172 C4' G A 6 38.460 30.340 28.747 1.00 0.00 C ATOM 173 O4' G A 6 37.307 29.708 28.182 1.00 0.00 O ATOM 174 C3' G A 6 39.607 30.223 27.748 1.00 0.00 C ATOM 175 O3' G A 6 40.856 30.055 28.421 1.00 0.00 O ATOM 176 C2' G A 6 39.235 28.981 26.944 1.00 0.00 C ATOM 177 O2' G A 6 39.810 27.799 27.509 1.00 0.00 O ATOM 178 C1' G A 6 37.713 28.952 27.039 1.00 0.00 C ATOM 179 N9 G A 6 37.097 29.483 25.808 1.00 0.00 N ATOM 180 C8 G A 6 36.711 30.768 25.522 1.00 0.00 C ATOM 181 N7 G A 6 36.184 30.919 24.339 1.00 0.00 N ATOM 182 C5 G A 6 36.219 29.635 23.805 1.00 0.00 C ATOM 183 C6 G A 6 35.776 29.172 22.539 1.00 0.00 C ATOM 184 O6 G A 6 35.260 29.814 21.629 1.00 0.00 O ATOM 185 N1 G A 6 35.988 27.808 22.394 1.00 0.00 N ATOM 186 C2 G A 6 36.558 26.985 23.345 1.00 0.00 C ATOM 187 N2 G A 6 36.668 25.696 23.024 1.00 0.00 N ATOM 188 N3 G A 6 36.977 27.420 24.540 1.00 0.00 N ATOM 189 C4 G A 6 36.773 28.750 24.692 1.00 0.00 C ATOM 0 H5' G A 6 37.381 31.855 29.823 1.00 0.00 H new ATOM 0 H5'' G A 6 39.059 32.255 29.517 1.00 0.00 H new ATOM 0 H4' G A 6 38.731 29.848 29.681 1.00 0.00 H new ATOM 0 H3' G A 6 39.733 31.110 27.127 1.00 0.00 H new ATOM 0 H2' G A 6 39.602 29.013 25.918 1.00 0.00 H new ATOM 0 HO2' G A 6 40.661 27.604 27.063 1.00 0.00 H new ATOM 0 H1' G A 6 37.377 27.921 27.149 1.00 0.00 H new ATOM 0 H8 G A 6 36.833 31.585 26.218 1.00 0.00 H new ATOM 0 H1 G A 6 35.700 27.379 21.515 1.00 0.00 H new ATOM 0 H21 G A 6 37.081 25.039 23.686 1.00 0.00 H new ATOM 0 H22 G A 6 36.339 25.367 22.116 1.00 0.00 H new HETATM 201 P H2U A 7 42.244 29.956 27.611 1.00 0.00 P HETATM 202 OP1 H2U A 7 42.263 28.687 26.851 1.00 0.00 O HETATM 203 OP2 H2U A 7 43.342 30.245 28.561 1.00 0.00 O HETATM 204 O5' H2U A 7 42.128 31.187 26.580 1.00 0.00 O HETATM 205 C5' H2U A 7 42.698 31.104 25.270 1.00 0.00 C HETATM 206 C4' H2U A 7 42.029 30.026 24.423 1.00 0.00 C HETATM 207 O4' H2U A 7 40.605 30.146 24.471 1.00 0.00 O HETATM 208 C3' H2U A 7 42.460 30.144 22.965 1.00 0.00 C HETATM 209 O3' H2U A 7 42.451 28.874 22.307 1.00 0.00 O HETATM 210 C1' H2U A 7 40.159 30.672 23.218 1.00 0.00 C HETATM 211 C2' H2U A 7 41.385 31.067 22.400 1.00 0.00 C HETATM 212 O2' H2U A 7 41.175 30.852 21.002 1.00 0.00 O HETATM 213 N1 H2U A 7 39.271 31.830 23.428 1.00 0.00 N HETATM 214 C2 H2U A 7 38.277 32.064 22.496 1.00 0.00 C HETATM 215 O2 H2U A 7 38.012 31.261 21.605 1.00 0.00 O HETATM 216 N3 H2U A 7 37.628 33.288 22.584 1.00 0.00 N HETATM 217 C4 H2U A 7 37.932 34.281 23.506 1.00 0.00 C HETATM 218 O4 H2U A 7 37.199 35.256 23.660 1.00 0.00 O HETATM 219 C5 H2U A 7 39.215 34.146 24.284 1.00 0.00 C HETATM 220 C6 H2U A 7 39.441 32.674 24.612 1.00 0.00 C HETATM 0 HO2' H2U A 7 42.033 30.900 20.531 1.00 0.00 H new HETATM 0 H5'' H2U A 7 42.602 32.068 24.771 1.00 0.00 H new HETATM 0 HN3 H2U A 7 36.873 33.471 21.923 1.00 0.00 H new HETATM 0 H62 H2U A 7 38.741 32.361 25.387 1.00 0.00 H new HETATM 0 H61 H2U A 7 40.445 32.540 25.015 1.00 0.00 H new HETATM 0 H52 H2U A 7 40.051 34.535 23.703 1.00 0.00 H new HETATM 0 H51 H2U A 7 39.163 34.733 25.201 1.00 0.00 H new HETATM 0 H5' H2U A 7 43.764 30.892 25.351 1.00 0.00 H new HETATM 0 H4' H2U A 7 42.334 29.062 24.831 1.00 0.00 H new HETATM 0 H3' H2U A 7 43.478 30.513 22.836 1.00 0.00 H new HETATM 0 H2' H2U A 7 41.641 32.124 22.474 1.00 0.00 H new HETATM 0 H1' H2U A 7 39.586 29.917 22.680 1.00 0.00 H new ATOM 233 P G A 8 43.110 28.686 20.850 1.00 0.00 P ATOM 234 OP1 G A 8 43.514 30.012 20.333 1.00 0.00 O ATOM 235 OP2 G A 8 42.215 27.842 20.027 1.00 0.00 O ATOM 236 O5' G A 8 44.444 27.847 21.181 1.00 0.00 O ATOM 237 C5' G A 8 44.364 26.489 21.621 1.00 0.00 C ATOM 238 C4' G A 8 45.358 26.196 22.740 1.00 0.00 C ATOM 239 O4' G A 8 45.072 27.021 23.872 1.00 0.00 O ATOM 240 C3' G A 8 45.263 24.736 23.168 1.00 0.00 C ATOM 241 O3' G A 8 46.217 23.924 22.477 1.00 0.00 O ATOM 242 C2' G A 8 45.559 24.810 24.662 1.00 0.00 C ATOM 243 O2' G A 8 46.960 24.678 24.916 1.00 0.00 O ATOM 244 C1' G A 8 45.049 26.196 25.040 1.00 0.00 C ATOM 245 N9 G A 8 43.686 26.110 25.598 1.00 0.00 N ATOM 246 C8 G A 8 42.486 26.348 24.981 1.00 0.00 C ATOM 247 N7 G A 8 41.440 26.129 25.731 1.00 0.00 N ATOM 248 C5 G A 8 41.997 25.717 26.937 1.00 0.00 C ATOM 249 C6 G A 8 41.355 25.339 28.145 1.00 0.00 C ATOM 250 O6 G A 8 40.149 25.272 28.378 1.00 0.00 O ATOM 251 N1 G A 8 42.269 24.998 29.132 1.00 0.00 N ATOM 252 C2 G A 8 43.642 25.015 28.977 1.00 0.00 C ATOM 253 N2 G A 8 44.365 24.674 30.044 1.00 0.00 N ATOM 254 N3 G A 8 44.250 25.372 27.840 1.00 0.00 N ATOM 255 C4 G A 8 43.364 25.704 26.871 1.00 0.00 C ATOM 0 H5' G A 8 44.557 25.823 20.780 1.00 0.00 H new ATOM 0 H5'' G A 8 43.353 26.279 21.969 1.00 0.00 H new ATOM 0 H4' G A 8 46.361 26.403 22.368 1.00 0.00 H new ATOM 0 H3' G A 8 44.300 24.278 22.943 1.00 0.00 H new ATOM 0 H2' G A 8 45.090 24.012 25.238 1.00 0.00 H new ATOM 0 HO2' G A 8 47.379 24.177 24.186 1.00 0.00 H new ATOM 0 H1' G A 8 45.689 26.632 25.807 1.00 0.00 H new ATOM 0 H8 G A 8 42.412 26.689 23.959 1.00 0.00 H new ATOM 0 H1 G A 8 41.900 24.714 30.039 1.00 0.00 H new ATOM 0 H21 G A 8 45.384 24.668 29.989 1.00 0.00 H new ATOM 0 H22 G A 8 43.900 24.419 30.915 1.00 0.00 H new ATOM 267 P G A 9 45.801 23.112 21.150 1.00 0.00 P ATOM 268 OP1 G A 9 47.019 22.899 20.338 1.00 0.00 O ATOM 269 OP2 G A 9 44.633 23.775 20.529 1.00 0.00 O ATOM 270 O5' G A 9 45.330 21.691 21.743 1.00 0.00 O ATOM 271 C5' G A 9 44.069 21.541 22.400 1.00 0.00 C ATOM 272 C4' G A 9 43.854 20.124 22.920 1.00 0.00 C ATOM 273 O4' G A 9 44.723 19.864 24.026 1.00 0.00 O ATOM 274 C3' G A 9 42.411 19.944 23.378 1.00 0.00 C ATOM 275 O3' G A 9 41.608 19.340 22.360 1.00 0.00 O ATOM 276 C2' G A 9 42.543 19.031 24.593 1.00 0.00 C ATOM 277 O2' G A 9 42.363 17.660 24.229 1.00 0.00 O ATOM 278 C1' G A 9 43.952 19.318 25.098 1.00 0.00 C ATOM 279 N9 G A 9 43.923 20.244 26.245 1.00 0.00 N ATOM 280 C8 G A 9 43.515 21.552 26.290 1.00 0.00 C ATOM 281 N7 G A 9 43.603 22.104 27.468 1.00 0.00 N ATOM 282 C5 G A 9 44.109 21.080 28.264 1.00 0.00 C ATOM 283 C6 G A 9 44.411 21.086 29.650 1.00 0.00 C ATOM 284 O6 G A 9 44.259 21.993 30.466 1.00 0.00 O ATOM 285 N1 G A 9 44.903 19.856 30.066 1.00 0.00 N ATOM 286 C2 G A 9 45.070 18.752 29.254 1.00 0.00 C ATOM 287 N2 G A 9 45.564 17.664 29.844 1.00 0.00 N ATOM 288 N3 G A 9 44.783 18.743 27.946 1.00 0.00 N ATOM 289 C4 G A 9 44.306 19.940 27.530 1.00 0.00 C ATOM 0 H5' G A 9 43.268 21.797 21.707 1.00 0.00 H new ATOM 0 H5'' G A 9 44.009 22.244 23.231 1.00 0.00 H new ATOM 0 H4' G A 9 44.073 19.428 22.110 1.00 0.00 H new ATOM 0 H3' G A 9 41.917 20.889 23.604 1.00 0.00 H new ATOM 0 H2' G A 9 41.787 19.214 25.357 1.00 0.00 H new ATOM 0 HO2' G A 9 41.425 17.505 23.990 1.00 0.00 H new ATOM 0 H1' G A 9 44.409 18.390 25.441 1.00 0.00 H new ATOM 0 H8 G A 9 43.151 22.081 25.422 1.00 0.00 H new ATOM 0 H1 G A 9 45.161 19.761 31.048 1.00 0.00 H new ATOM 0 H21 G A 9 45.713 16.813 29.302 1.00 0.00 H new ATOM 0 H22 G A 9 45.793 17.682 30.838 1.00 0.00 H new ATOM 301 P A A 10 40.628 20.230 21.445 1.00 0.00 P ATOM 302 OP1 A A 10 41.331 20.551 20.182 1.00 0.00 O ATOM 303 OP2 A A 10 40.089 21.340 22.263 1.00 0.00 O ATOM 304 O5' A A 10 39.440 19.196 21.115 1.00 0.00 O ATOM 305 C5' A A 10 38.309 19.060 21.980 1.00 0.00 C ATOM 306 C4' A A 10 38.563 18.064 23.108 1.00 0.00 C ATOM 307 O4' A A 10 39.679 18.485 23.894 1.00 0.00 O ATOM 308 C3' A A 10 37.342 17.940 24.014 1.00 0.00 C ATOM 309 O3' A A 10 36.534 16.817 23.653 1.00 0.00 O ATOM 310 C2' A A 10 37.960 17.761 25.396 1.00 0.00 C ATOM 311 O2' A A 10 38.114 16.378 25.728 1.00 0.00 O ATOM 312 C1' A A 10 39.313 18.455 25.276 1.00 0.00 C ATOM 313 N9 A A 10 39.275 19.819 25.835 1.00 0.00 N ATOM 314 C8 A A 10 39.862 20.306 26.974 1.00 0.00 C ATOM 315 N7 A A 10 39.675 21.580 27.183 1.00 0.00 N ATOM 316 C5 A A 10 38.896 21.967 26.097 1.00 0.00 C ATOM 317 C6 A A 10 38.340 23.198 25.710 1.00 0.00 C ATOM 318 N6 A A 10 38.494 24.329 26.395 1.00 0.00 N ATOM 319 N1 A A 10 37.626 23.217 24.577 1.00 0.00 N ATOM 320 C2 A A 10 37.455 22.116 23.861 1.00 0.00 C ATOM 321 N3 A A 10 37.924 20.906 24.126 1.00 0.00 N ATOM 322 C4 A A 10 38.644 20.902 25.272 1.00 0.00 C ATOM 0 H5' A A 10 37.446 18.736 21.399 1.00 0.00 H new ATOM 0 H5'' A A 10 38.060 20.032 22.405 1.00 0.00 H new ATOM 0 H4' A A 10 38.771 17.095 22.655 1.00 0.00 H new ATOM 0 H3' A A 10 36.673 18.798 23.951 1.00 0.00 H new ATOM 0 H2' A A 10 37.339 18.177 26.190 1.00 0.00 H new ATOM 0 HO2' A A 10 37.668 15.827 25.051 1.00 0.00 H new ATOM 0 H1' A A 10 40.055 17.900 25.851 1.00 0.00 H new ATOM 0 H8 A A 10 40.435 19.684 27.646 1.00 0.00 H new ATOM 0 H61 A A 10 38.064 25.191 26.060 1.00 0.00 H new ATOM 0 H62 A A 10 39.042 24.334 27.255 1.00 0.00 H new ATOM 0 H2 A A 10 36.867 22.216 22.960 1.00 0.00 H new ATOM 334 P A A 11 34.960 16.769 23.993 1.00 0.00 P ATOM 335 OP1 A A 11 34.562 15.351 24.135 1.00 0.00 O ATOM 336 OP2 A A 11 34.243 17.621 23.018 1.00 0.00 O ATOM 337 O5' A A 11 34.882 17.470 25.441 1.00 0.00 O ATOM 338 C5' A A 11 35.325 16.794 26.621 1.00 0.00 C ATOM 339 C4' A A 11 35.538 17.759 27.784 1.00 0.00 C ATOM 340 O4' A A 11 36.438 18.805 27.411 1.00 0.00 O ATOM 341 C3' A A 11 34.215 18.388 28.206 1.00 0.00 C ATOM 342 O3' A A 11 33.586 17.650 29.257 1.00 0.00 O ATOM 343 C2' A A 11 34.663 19.770 28.671 1.00 0.00 C ATOM 344 O2' A A 11 35.099 19.753 30.032 1.00 0.00 O ATOM 345 C1' A A 11 35.822 20.058 27.723 1.00 0.00 C ATOM 346 N9 A A 11 35.336 20.725 26.501 1.00 0.00 N ATOM 347 C8 A A 11 34.913 20.171 25.321 1.00 0.00 C ATOM 348 N7 A A 11 34.526 21.032 24.421 1.00 0.00 N ATOM 349 C5 A A 11 34.712 22.254 25.058 1.00 0.00 C ATOM 350 C6 A A 11 34.487 23.579 24.654 1.00 0.00 C ATOM 351 N6 A A 11 34.005 23.894 23.452 1.00 0.00 N ATOM 352 N1 A A 11 34.779 24.551 25.529 1.00 0.00 N ATOM 353 C2 A A 11 35.254 24.254 26.729 1.00 0.00 C ATOM 354 N3 A A 11 35.501 23.051 27.222 1.00 0.00 N ATOM 355 C4 A A 11 35.204 22.082 26.324 1.00 0.00 C ATOM 0 H5' A A 11 36.256 16.268 26.410 1.00 0.00 H new ATOM 0 H5'' A A 11 34.591 16.040 26.905 1.00 0.00 H new ATOM 0 H4' A A 11 35.958 17.190 28.613 1.00 0.00 H new ATOM 0 H3' A A 11 33.466 18.412 27.414 1.00 0.00 H new ATOM 0 H2' A A 11 33.871 20.518 28.645 1.00 0.00 H new ATOM 0 HO2' A A 11 35.228 20.672 30.346 1.00 0.00 H new ATOM 0 H1' A A 11 36.544 20.729 28.189 1.00 0.00 H new ATOM 0 H8 A A 11 34.901 19.105 25.150 1.00 0.00 H new ATOM 0 H61 A A 11 33.858 24.872 23.202 1.00 0.00 H new ATOM 0 H62 A A 11 33.784 23.157 22.782 1.00 0.00 H new ATOM 0 H2 A A 11 35.464 25.090 27.380 1.00 0.00 H new ATOM 367 P C A 12 32.030 17.870 29.603 1.00 0.00 P ATOM 368 OP1 C A 12 31.600 16.855 30.590 1.00 0.00 O ATOM 369 OP2 C A 12 31.277 18.003 28.336 1.00 0.00 O ATOM 370 O5' C A 12 32.046 19.303 30.339 1.00 0.00 O ATOM 371 C5' C A 12 32.765 19.471 31.564 1.00 0.00 C ATOM 372 C4' C A 12 32.770 20.923 32.031 1.00 0.00 C ATOM 373 O4' C A 12 33.391 21.774 31.063 1.00 0.00 O ATOM 374 C3' C A 12 31.347 21.431 32.230 1.00 0.00 C ATOM 375 O3' C A 12 30.842 21.112 33.530 1.00 0.00 O ATOM 376 C2' C A 12 31.522 22.933 32.032 1.00 0.00 C ATOM 377 O2' C A 12 31.882 23.596 33.248 1.00 0.00 O ATOM 378 C1' C A 12 32.645 22.992 31.001 1.00 0.00 C ATOM 379 N1 C A 12 32.088 23.201 29.651 1.00 0.00 N ATOM 380 C2 C A 12 32.220 24.461 29.096 1.00 0.00 C ATOM 381 O2 C A 12 32.819 25.348 29.700 1.00 0.00 O ATOM 382 N3 C A 12 31.683 24.683 27.868 1.00 0.00 N ATOM 383 C4 C A 12 31.045 23.711 27.204 1.00 0.00 C ATOM 384 N4 C A 12 30.502 23.977 26.016 1.00 0.00 N ATOM 385 C5 C A 12 30.913 22.402 27.771 1.00 0.00 C ATOM 386 C6 C A 12 31.446 22.192 28.994 1.00 0.00 C ATOM 0 H5' C A 12 33.792 19.130 31.431 1.00 0.00 H new ATOM 0 H5'' C A 12 32.318 18.844 32.335 1.00 0.00 H new ATOM 0 H4' C A 12 33.324 20.949 32.969 1.00 0.00 H new ATOM 0 H3' C A 12 30.620 20.983 31.552 1.00 0.00 H new ATOM 0 H2' C A 12 30.610 23.438 31.714 1.00 0.00 H new ATOM 0 HO2' C A 12 31.608 23.048 34.013 1.00 0.00 H new ATOM 0 H1' C A 12 33.307 23.830 31.220 1.00 0.00 H new ATOM 0 H41 C A 12 30.014 23.243 25.503 1.00 0.00 H new ATOM 0 H42 C A 12 30.575 24.914 25.621 1.00 0.00 H new ATOM 0 H5 C A 12 30.405 21.611 27.239 1.00 0.00 H new ATOM 0 H6 C A 12 31.364 21.219 29.455 1.00 0.00 H new ATOM 398 P U A 13 29.276 20.813 33.756 1.00 0.00 P ATOM 399 OP1 U A 13 29.093 20.187 35.085 1.00 0.00 O ATOM 400 OP2 U A 13 28.742 20.128 32.557 1.00 0.00 O ATOM 401 O5' U A 13 28.655 22.297 33.807 1.00 0.00 O ATOM 402 C5' U A 13 28.760 23.088 34.993 1.00 0.00 C ATOM 403 C4' U A 13 28.212 24.497 34.796 1.00 0.00 C ATOM 404 O4' U A 13 28.976 25.227 33.833 1.00 0.00 O ATOM 405 C3' U A 13 26.773 24.461 34.293 1.00 0.00 C ATOM 406 O3' U A 13 25.830 24.336 35.361 1.00 0.00 O ATOM 407 C2' U A 13 26.670 25.810 33.588 1.00 0.00 C ATOM 408 O2' U A 13 26.369 26.864 34.506 1.00 0.00 O ATOM 409 C1' U A 13 28.070 25.959 33.003 1.00 0.00 C ATOM 410 N1 U A 13 28.098 25.471 31.611 1.00 0.00 N ATOM 411 C2 U A 13 27.931 26.408 30.608 1.00 0.00 C ATOM 412 O2 U A 13 27.784 27.607 30.837 1.00 0.00 O ATOM 413 N3 U A 13 27.964 25.915 29.310 1.00 0.00 N ATOM 414 C4 U A 13 28.122 24.586 28.944 1.00 0.00 C ATOM 415 O4 U A 13 28.118 24.251 27.761 1.00 0.00 O ATOM 416 C5 U A 13 28.288 23.687 30.062 1.00 0.00 C ATOM 417 C6 U A 13 28.264 24.145 31.332 1.00 0.00 C ATOM 0 H5' U A 13 29.805 23.146 35.298 1.00 0.00 H new ATOM 0 H5'' U A 13 28.218 22.599 35.803 1.00 0.00 H new ATOM 0 H4' U A 13 28.268 24.984 35.770 1.00 0.00 H new ATOM 0 H3' U A 13 26.547 23.607 33.654 1.00 0.00 H new ATOM 0 H2' U A 13 25.872 25.861 32.847 1.00 0.00 H new ATOM 0 HO2' U A 13 26.312 27.714 34.021 1.00 0.00 H new ATOM 0 H1' U A 13 28.366 27.008 32.980 1.00 0.00 H new ATOM 0 H3 U A 13 27.863 26.593 28.555 1.00 0.00 H new ATOM 0 H5 U A 13 28.434 22.633 29.880 1.00 0.00 H new ATOM 0 H6 U A 13 28.379 23.445 32.147 1.00 0.00 H new ATOM 428 P C A 14 24.389 23.670 35.097 1.00 0.00 P ATOM 429 OP1 C A 14 23.600 23.759 36.346 1.00 0.00 O ATOM 430 OP2 C A 14 24.598 22.346 34.469 1.00 0.00 O ATOM 431 O5' C A 14 23.741 24.663 34.007 1.00 0.00 O ATOM 432 C5' C A 14 23.440 26.018 34.349 1.00 0.00 C ATOM 433 C4' C A 14 23.134 26.866 33.120 1.00 0.00 C ATOM 434 O4' C A 14 24.249 26.898 32.227 1.00 0.00 O ATOM 435 C3' C A 14 21.940 26.305 32.356 1.00 0.00 C ATOM 436 O3' C A 14 20.700 26.815 32.851 1.00 0.00 O ATOM 437 C2' C A 14 22.230 26.783 30.937 1.00 0.00 C ATOM 438 O2' C A 14 21.693 28.087 30.700 1.00 0.00 O ATOM 439 C1' C A 14 23.755 26.799 30.889 1.00 0.00 C ATOM 440 N1 C A 14 24.268 25.586 30.226 1.00 0.00 N ATOM 441 C2 C A 14 24.659 25.703 28.904 1.00 0.00 C ATOM 442 O2 C A 14 24.588 26.790 28.336 1.00 0.00 O ATOM 443 N3 C A 14 25.119 24.598 28.263 1.00 0.00 N ATOM 444 C4 C A 14 25.195 23.418 28.892 1.00 0.00 C ATOM 445 N4 C A 14 25.642 22.346 28.237 1.00 0.00 N ATOM 446 C5 C A 14 24.795 23.290 30.262 1.00 0.00 C ATOM 447 C6 C A 14 24.337 24.395 30.889 1.00 0.00 C ATOM 0 H5' C A 14 24.283 26.451 34.887 1.00 0.00 H new ATOM 0 H5'' C A 14 22.585 26.039 35.025 1.00 0.00 H new ATOM 0 H4' C A 14 22.913 27.872 33.477 1.00 0.00 H new ATOM 0 H3' C A 14 21.830 25.224 32.442 1.00 0.00 H new ATOM 0 H2' C A 14 21.778 26.149 30.174 1.00 0.00 H new ATOM 0 HO2' C A 14 21.018 28.291 31.380 1.00 0.00 H new ATOM 0 H1' C A 14 24.098 27.655 30.309 1.00 0.00 H new ATOM 0 H41 C A 14 25.701 21.446 28.713 1.00 0.00 H new ATOM 0 H42 C A 14 25.925 22.426 27.260 1.00 0.00 H new ATOM 0 H5 C A 14 24.858 22.342 30.776 1.00 0.00 H new ATOM 0 H6 C A 14 24.024 24.336 31.921 1.00 0.00 H new ATOM 459 P C A 15 19.341 25.960 32.723 1.00 0.00 P ATOM 460 OP1 C A 15 18.329 26.541 33.634 1.00 0.00 O ATOM 461 OP2 C A 15 19.669 24.521 32.835 1.00 0.00 O ATOM 462 O5' C A 15 18.904 26.265 31.204 1.00 0.00 O ATOM 463 C5' C A 15 18.176 27.450 30.868 1.00 0.00 C ATOM 464 C4' C A 15 17.608 27.398 29.454 1.00 0.00 C ATOM 465 O4' C A 15 18.651 27.445 28.478 1.00 0.00 O ATOM 466 C3' C A 15 16.800 26.123 29.233 1.00 0.00 C ATOM 467 O3' C A 15 15.421 26.310 29.563 1.00 0.00 O ATOM 468 C2' C A 15 17.003 25.871 27.743 1.00 0.00 C ATOM 469 O2' C A 15 16.045 26.581 26.954 1.00 0.00 O ATOM 470 C1' C A 15 18.413 26.410 27.520 1.00 0.00 C ATOM 471 N1 C A 15 19.419 25.340 27.665 1.00 0.00 N ATOM 472 C2 C A 15 19.905 24.755 26.511 1.00 0.00 C ATOM 473 O2 C A 15 19.495 25.122 25.411 1.00 0.00 O ATOM 474 N3 C A 15 20.839 23.776 26.626 1.00 0.00 N ATOM 475 C4 C A 15 21.283 23.379 27.825 1.00 0.00 C ATOM 476 N4 C A 15 22.192 22.406 27.898 1.00 0.00 N ATOM 477 C5 C A 15 20.783 23.981 29.025 1.00 0.00 C ATOM 478 C6 C A 15 19.855 24.954 28.899 1.00 0.00 C ATOM 0 H5' C A 15 18.832 28.316 30.962 1.00 0.00 H new ATOM 0 H5'' C A 15 17.362 27.588 31.580 1.00 0.00 H new ATOM 0 H4' C A 15 16.960 28.267 29.341 1.00 0.00 H new ATOM 0 H3' C A 15 17.114 25.288 29.860 1.00 0.00 H new ATOM 0 H2' C A 15 16.879 24.827 27.456 1.00 0.00 H new ATOM 0 HO2' C A 15 15.326 26.912 27.532 1.00 0.00 H new ATOM 0 HO3' C A 15 14.932 25.475 29.409 1.00 0.00 H new ATOM 0 H1' C A 15 18.497 26.803 26.507 1.00 0.00 H new ATOM 0 H41 C A 15 22.536 22.097 28.807 1.00 0.00 H new ATOM 0 H42 C A 15 22.543 21.971 27.045 1.00 0.00 H new ATOM 0 H5 C A 15 21.136 23.668 29.996 1.00 0.00 H new ATOM 0 H6 C A 15 19.455 25.430 29.782 1.00 0.00 H new TER 491 C A 15