USER MOD reduce.3.24.130724 H: found=0, std=0, add=180, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 180 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 -28:sc= 0.416 USER MOD Single : A 1 G O5' : rot -19:sc= 0.0718 USER MOD Single : A 2 C O2' : rot -21:sc= 0.174 USER MOD Single : A 3 A O2' : rot -23:sc= 0.346 USER MOD Single : A 4 G O2' : rot -21:sc= 0.217 USER MOD Single : A 5 U O2' : rot -21:sc= 0.352 USER MOD Single : A 6 G O2' : rot -27:sc= 0.186 USER MOD Single : A 7 G O2' : rot -16:sc= 0.387 USER MOD Single : A 8 C O2' : rot 69:sc= 1.24 USER MOD Single : A 8 C O3' : rot 87:sc= 0.163 USER MOD Single : B 101 G O2' : rot -9:sc= 0.601 USER MOD Single : B 101 G O5' : rot -32:sc= 0.0481 USER MOD Single : B 102 C O2' : rot -126:sc= 0.239 USER MOD Single : B 103 C O2' : rot -62:sc= 1.23 USER MOD Single : B 104 A O2' : rot -16:sc= 0.196 USER MOD Single : B 106 DT C7 :methyl 150:sc= -0.0103 (180deg=-0.0103) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.976 -14.324 -10.303 1.00 0.00 O ATOM 2 C5' G A 1 -5.621 -13.077 -10.122 1.00 0.00 C ATOM 3 C4' G A 1 -6.777 -13.175 -9.123 1.00 0.00 C ATOM 4 O4' G A 1 -6.390 -13.910 -7.972 1.00 0.00 O ATOM 5 C3' G A 1 -7.254 -11.787 -8.674 1.00 0.00 C ATOM 6 O3' G A 1 -8.380 -11.391 -9.434 1.00 0.00 O ATOM 7 C2' G A 1 -7.684 -12.075 -7.237 1.00 0.00 C ATOM 8 O2' G A 1 -9.013 -12.568 -7.278 1.00 0.00 O ATOM 9 C1' G A 1 -6.736 -13.183 -6.803 1.00 0.00 C ATOM 10 N9 G A 1 -5.510 -12.688 -6.140 1.00 0.00 N ATOM 11 C8 G A 1 -4.240 -12.621 -6.656 1.00 0.00 C ATOM 12 N7 G A 1 -3.293 -12.695 -5.762 1.00 0.00 N ATOM 13 C5 G A 1 -3.992 -12.765 -4.559 1.00 0.00 C ATOM 14 C6 G A 1 -3.512 -13.015 -3.238 1.00 0.00 C ATOM 15 O6 G A 1 -2.358 -13.291 -2.898 1.00 0.00 O ATOM 16 N1 G A 1 -4.531 -13.012 -2.294 1.00 0.00 N ATOM 17 C2 G A 1 -5.867 -12.838 -2.596 1.00 0.00 C ATOM 18 N2 G A 1 -6.730 -12.826 -1.595 1.00 0.00 N ATOM 19 N3 G A 1 -6.344 -12.677 -3.842 1.00 0.00 N ATOM 20 C4 G A 1 -5.348 -12.662 -4.778 1.00 0.00 C ATOM 0 H5' G A 1 -5.998 -12.720 -11.080 1.00 0.00 H new ATOM 0 H5'' G A 1 -4.898 -12.341 -9.770 1.00 0.00 H new ATOM 0 H4' G A 1 -7.592 -13.687 -9.635 1.00 0.00 H new ATOM 0 H3' G A 1 -6.510 -10.998 -8.782 1.00 0.00 H new ATOM 0 H2' G A 1 -7.652 -11.212 -6.572 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.474 -12.201 -8.061 1.00 0.00 H new ATOM 0 HO5' G A 1 -5.189 -14.915 -9.551 1.00 0.00 H new ATOM 0 H1' G A 1 -7.241 -13.802 -6.061 1.00 0.00 H new ATOM 0 H8 G A 1 -4.042 -12.516 -7.712 1.00 0.00 H new ATOM 0 H1 G A 1 -4.276 -13.147 -1.316 1.00 0.00 H new ATOM 0 H21 G A 1 -7.725 -12.700 -1.781 1.00 0.00 H new ATOM 0 H22 G A 1 -6.401 -12.943 -0.637 1.00 0.00 H new ATOM 33 P C A 2 -8.873 -9.883 -9.479 1.00 0.00 P ATOM 34 OP1 C A 2 -10.230 -9.965 -10.055 1.00 0.00 O ATOM 35 OP2 C A 2 -7.850 -9.089 -10.183 1.00 0.00 O ATOM 36 O5' C A 2 -8.976 -9.350 -7.974 1.00 0.00 O ATOM 37 C5' C A 2 -10.236 -9.247 -7.338 1.00 0.00 C ATOM 38 C4' C A 2 -10.178 -8.916 -5.840 1.00 0.00 C ATOM 39 O4' C A 2 -9.410 -9.895 -5.126 1.00 0.00 O ATOM 40 C3' C A 2 -9.642 -7.544 -5.401 1.00 0.00 C ATOM 41 O3' C A 2 -10.553 -6.447 -5.437 1.00 0.00 O ATOM 42 C2' C A 2 -9.376 -7.894 -3.946 1.00 0.00 C ATOM 43 O2' C A 2 -10.625 -7.949 -3.264 1.00 0.00 O ATOM 44 C1' C A 2 -8.789 -9.290 -3.986 1.00 0.00 C ATOM 45 N1 C A 2 -7.298 -9.260 -4.100 1.00 0.00 N ATOM 46 C2 C A 2 -6.523 -9.380 -2.936 1.00 0.00 C ATOM 47 O2 C A 2 -7.014 -9.450 -1.803 1.00 0.00 O ATOM 48 N3 C A 2 -5.163 -9.422 -3.053 1.00 0.00 N ATOM 49 C4 C A 2 -4.569 -9.296 -4.247 1.00 0.00 C ATOM 50 N4 C A 2 -3.249 -9.356 -4.298 1.00 0.00 N ATOM 51 C5 C A 2 -5.325 -9.122 -5.445 1.00 0.00 C ATOM 52 C6 C A 2 -6.675 -9.111 -5.321 1.00 0.00 C ATOM 0 H5' C A 2 -10.770 -10.188 -7.467 1.00 0.00 H new ATOM 0 H5'' C A 2 -10.820 -8.478 -7.843 1.00 0.00 H new ATOM 0 H4' C A 2 -11.241 -8.909 -5.598 1.00 0.00 H new ATOM 0 H3' C A 2 -8.835 -7.192 -6.043 1.00 0.00 H new ATOM 0 H2' C A 2 -8.723 -7.176 -3.450 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.297 -7.446 -3.770 1.00 0.00 H new ATOM 0 H1' C A 2 -8.979 -9.851 -3.071 1.00 0.00 H new ATOM 0 H41 C A 2 -2.768 -9.263 -5.193 1.00 0.00 H new ATOM 0 H42 C A 2 -2.711 -9.495 -3.442 1.00 0.00 H new ATOM 0 H5 C A 2 -4.844 -9.005 -6.405 1.00 0.00 H new ATOM 0 H6 C A 2 -7.281 -8.982 -6.206 1.00 0.00 H new ATOM 64 P A A 3 -10.090 -4.949 -5.056 1.00 0.00 P ATOM 65 OP1 A A 3 -11.245 -4.042 -5.215 1.00 0.00 O ATOM 66 OP2 A A 3 -8.850 -4.671 -5.807 1.00 0.00 O ATOM 67 O5' A A 3 -9.640 -4.911 -3.517 1.00 0.00 O ATOM 68 C5' A A 3 -10.544 -4.932 -2.422 1.00 0.00 C ATOM 69 C4' A A 3 -9.835 -5.382 -1.128 1.00 0.00 C ATOM 70 O4' A A 3 -8.873 -6.411 -1.332 1.00 0.00 O ATOM 71 C3' A A 3 -9.125 -4.256 -0.370 1.00 0.00 C ATOM 72 O3' A A 3 -9.995 -3.618 0.558 1.00 0.00 O ATOM 73 C2' A A 3 -8.051 -5.045 0.381 1.00 0.00 C ATOM 74 O2' A A 3 -8.670 -5.581 1.541 1.00 0.00 O ATOM 75 C1' A A 3 -7.689 -6.165 -0.586 1.00 0.00 C ATOM 76 N9 A A 3 -6.549 -5.838 -1.479 1.00 0.00 N ATOM 77 C8 A A 3 -6.556 -5.519 -2.813 1.00 0.00 C ATOM 78 N7 A A 3 -5.403 -5.610 -3.416 1.00 0.00 N ATOM 79 C5 A A 3 -4.545 -5.929 -2.372 1.00 0.00 C ATOM 80 C6 A A 3 -3.159 -6.172 -2.318 1.00 0.00 C ATOM 81 N6 A A 3 -2.387 -6.119 -3.401 1.00 0.00 N ATOM 82 N1 A A 3 -2.586 -6.451 -1.135 1.00 0.00 N ATOM 83 C2 A A 3 -3.363 -6.481 -0.046 1.00 0.00 C ATOM 84 N3 A A 3 -4.682 -6.311 0.038 1.00 0.00 N ATOM 85 C4 A A 3 -5.221 -6.031 -1.181 1.00 0.00 C ATOM 0 H5' A A 3 -11.371 -5.607 -2.641 1.00 0.00 H new ATOM 0 H5'' A A 3 -10.972 -3.940 -2.280 1.00 0.00 H new ATOM 0 H4' A A 3 -10.668 -5.754 -0.531 1.00 0.00 H new ATOM 0 H3' A A 3 -8.755 -3.459 -1.014 1.00 0.00 H new ATOM 0 H2' A A 3 -7.177 -4.466 0.681 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.456 -5.043 1.770 1.00 0.00 H new ATOM 0 H1' A A 3 -7.349 -7.042 -0.035 1.00 0.00 H new ATOM 0 H8 A A 3 -7.454 -5.213 -3.329 1.00 0.00 H new ATOM 0 H61 A A 3 -1.386 -6.301 -3.323 1.00 0.00 H new ATOM 0 H62 A A 3 -2.796 -5.896 -4.308 1.00 0.00 H new ATOM 0 H2 A A 3 -2.854 -6.668 0.888 1.00 0.00 H new ATOM 97 P G A 4 -9.621 -2.208 1.193 1.00 0.00 P ATOM 98 OP1 G A 4 -10.715 -1.835 2.112 1.00 0.00 O ATOM 99 OP2 G A 4 -9.302 -1.271 0.104 1.00 0.00 O ATOM 100 O5' G A 4 -8.312 -2.452 2.060 1.00 0.00 O ATOM 101 C5' G A 4 -8.357 -2.629 3.459 1.00 0.00 C ATOM 102 C4' G A 4 -7.044 -3.176 4.030 1.00 0.00 C ATOM 103 O4' G A 4 -6.408 -4.034 3.079 1.00 0.00 O ATOM 104 C3' G A 4 -6.010 -2.146 4.510 1.00 0.00 C ATOM 105 O3' G A 4 -6.111 -1.932 5.920 1.00 0.00 O ATOM 106 C2' G A 4 -4.727 -2.929 4.253 1.00 0.00 C ATOM 107 O2' G A 4 -4.566 -3.839 5.330 1.00 0.00 O ATOM 108 C1' G A 4 -5.023 -3.714 2.994 1.00 0.00 C ATOM 109 N9 G A 4 -4.615 -2.955 1.784 1.00 0.00 N ATOM 110 C8 G A 4 -5.370 -2.364 0.813 1.00 0.00 C ATOM 111 N7 G A 4 -4.697 -1.963 -0.238 1.00 0.00 N ATOM 112 C5 G A 4 -3.369 -2.241 0.098 1.00 0.00 C ATOM 113 C6 G A 4 -2.137 -2.018 -0.614 1.00 0.00 C ATOM 114 O6 G A 4 -1.972 -1.650 -1.782 1.00 0.00 O ATOM 115 N1 G A 4 -1.012 -2.280 0.166 1.00 0.00 N ATOM 116 C2 G A 4 -1.070 -2.780 1.453 1.00 0.00 C ATOM 117 N2 G A 4 0.038 -2.921 2.166 1.00 0.00 N ATOM 118 N3 G A 4 -2.206 -3.114 2.076 1.00 0.00 N ATOM 119 C4 G A 4 -3.319 -2.796 1.359 1.00 0.00 C ATOM 0 H5' G A 4 -9.169 -3.312 3.708 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.585 -1.675 3.934 1.00 0.00 H new ATOM 0 H4' G A 4 -7.367 -3.705 4.927 1.00 0.00 H new ATOM 0 H3' G A 4 -6.102 -1.170 4.033 1.00 0.00 H new ATOM 0 H2' G A 4 -3.837 -2.306 4.161 1.00 0.00 H new ATOM 0 HO2' G A 4 -5.083 -3.527 6.102 1.00 0.00 H new ATOM 0 H1' G A 4 -4.448 -4.636 2.905 1.00 0.00 H new ATOM 0 H8 G A 4 -6.439 -2.237 0.903 1.00 0.00 H new ATOM 0 H1 G A 4 -0.094 -2.092 -0.236 1.00 0.00 H new ATOM 0 H21 G A 4 -0.010 -3.290 3.116 1.00 0.00 H new ATOM 0 H22 G A 4 0.939 -2.660 1.765 1.00 0.00 H new ATOM 131 P U A 5 -5.434 -0.679 6.647 1.00 0.00 P ATOM 132 OP1 U A 5 -5.621 -0.860 8.102 1.00 0.00 O ATOM 133 OP2 U A 5 -5.981 0.547 6.038 1.00 0.00 O ATOM 134 O5' U A 5 -3.863 -0.755 6.379 1.00 0.00 O ATOM 135 C5' U A 5 -3.021 -1.598 7.154 1.00 0.00 C ATOM 136 C4' U A 5 -1.539 -1.427 6.807 1.00 0.00 C ATOM 137 O4' U A 5 -1.231 -1.805 5.474 1.00 0.00 O ATOM 138 C3' U A 5 -1.044 0.007 6.998 1.00 0.00 C ATOM 139 O3' U A 5 -0.614 0.240 8.327 1.00 0.00 O ATOM 140 C2' U A 5 0.168 0.028 6.075 1.00 0.00 C ATOM 141 O2' U A 5 1.260 -0.532 6.783 1.00 0.00 O ATOM 142 C1' U A 5 -0.257 -0.902 4.950 1.00 0.00 C ATOM 143 N1 U A 5 -0.788 -0.164 3.780 1.00 0.00 N ATOM 144 C2 U A 5 0.139 0.254 2.822 1.00 0.00 C ATOM 145 O2 U A 5 1.358 0.245 3.017 1.00 0.00 O ATOM 146 N3 U A 5 -0.388 0.691 1.621 1.00 0.00 N ATOM 147 C4 U A 5 -1.730 0.866 1.342 1.00 0.00 C ATOM 148 O4 U A 5 -2.094 1.221 0.225 1.00 0.00 O ATOM 149 C5 U A 5 -2.614 0.545 2.436 1.00 0.00 C ATOM 150 C6 U A 5 -2.138 0.016 3.587 1.00 0.00 C ATOM 0 H5' U A 5 -3.310 -2.637 6.997 1.00 0.00 H new ATOM 0 H5'' U A 5 -3.170 -1.382 8.212 1.00 0.00 H new ATOM 0 H4' U A 5 -1.032 -2.092 7.505 1.00 0.00 H new ATOM 0 H3' U A 5 -1.809 0.756 6.793 1.00 0.00 H new ATOM 0 H2' U A 5 0.463 1.016 5.721 1.00 0.00 H new ATOM 0 HO2' U A 5 1.087 -0.480 7.746 1.00 0.00 H new ATOM 0 H1' U A 5 0.614 -1.448 4.587 1.00 0.00 H new ATOM 0 H3 U A 5 0.273 0.903 0.874 1.00 0.00 H new ATOM 0 H5 U A 5 -3.673 0.730 2.335 1.00 0.00 H new ATOM 0 H6 U A 5 -2.829 -0.269 4.366 1.00 0.00 H new ATOM 161 P G A 6 -0.404 1.723 8.862 1.00 0.00 P ATOM 162 OP1 G A 6 0.516 1.576 10.008 1.00 0.00 O ATOM 163 OP2 G A 6 -1.751 2.272 9.108 1.00 0.00 O ATOM 164 O5' G A 6 0.324 2.577 7.720 1.00 0.00 O ATOM 165 C5' G A 6 1.722 2.785 7.788 1.00 0.00 C ATOM 166 C4' G A 6 2.346 3.563 6.629 1.00 0.00 C ATOM 167 O4' G A 6 2.236 2.862 5.393 1.00 0.00 O ATOM 168 C3' G A 6 1.774 4.953 6.354 1.00 0.00 C ATOM 169 O3' G A 6 2.191 5.945 7.288 1.00 0.00 O ATOM 170 C2' G A 6 2.421 5.161 4.981 1.00 0.00 C ATOM 171 O2' G A 6 3.770 5.555 5.158 1.00 0.00 O ATOM 172 C1' G A 6 2.351 3.791 4.316 1.00 0.00 C ATOM 173 N9 G A 6 1.186 3.783 3.400 1.00 0.00 N ATOM 174 C8 G A 6 -0.108 3.435 3.676 1.00 0.00 C ATOM 175 N7 G A 6 -0.942 3.637 2.699 1.00 0.00 N ATOM 176 C5 G A 6 -0.149 4.152 1.682 1.00 0.00 C ATOM 177 C6 G A 6 -0.506 4.559 0.356 1.00 0.00 C ATOM 178 O6 G A 6 -1.609 4.547 -0.197 1.00 0.00 O ATOM 179 N1 G A 6 0.584 5.022 -0.363 1.00 0.00 N ATOM 180 C2 G A 6 1.865 5.096 0.133 1.00 0.00 C ATOM 181 N2 G A 6 2.811 5.539 -0.686 1.00 0.00 N ATOM 182 N3 G A 6 2.222 4.758 1.386 1.00 0.00 N ATOM 183 C4 G A 6 1.162 4.267 2.106 1.00 0.00 C ATOM 0 H5' G A 6 2.210 1.813 7.850 1.00 0.00 H new ATOM 0 H5'' G A 6 1.945 3.314 8.715 1.00 0.00 H new ATOM 0 H4' G A 6 3.374 3.672 6.975 1.00 0.00 H new ATOM 0 H3' G A 6 0.688 5.030 6.415 1.00 0.00 H new ATOM 0 H2' G A 6 1.929 5.930 4.386 1.00 0.00 H new ATOM 0 HO2' G A 6 3.866 6.015 6.018 1.00 0.00 H new ATOM 0 H1' G A 6 3.220 3.535 3.710 1.00 0.00 H new ATOM 0 H8 G A 6 -0.412 3.026 4.628 1.00 0.00 H new ATOM 0 H1 G A 6 0.426 5.328 -1.323 1.00 0.00 H new ATOM 0 H21 G A 6 3.775 5.610 -0.360 1.00 0.00 H new ATOM 0 H22 G A 6 2.574 5.808 -1.641 1.00 0.00 H new ATOM 195 P G A 7 1.608 7.438 7.245 1.00 0.00 P ATOM 196 OP1 G A 7 2.212 8.239 8.332 1.00 0.00 O ATOM 197 OP2 G A 7 0.138 7.434 7.121 1.00 0.00 O ATOM 198 O5' G A 7 2.180 7.971 5.854 1.00 0.00 O ATOM 199 C5' G A 7 3.281 8.843 5.841 1.00 0.00 C ATOM 200 C4' G A 7 3.769 9.288 4.468 1.00 0.00 C ATOM 201 O4' G A 7 3.635 8.255 3.518 1.00 0.00 O ATOM 202 C3' G A 7 2.940 10.485 4.021 1.00 0.00 C ATOM 203 O3' G A 7 3.535 11.726 4.395 1.00 0.00 O ATOM 204 C2' G A 7 3.016 10.320 2.519 1.00 0.00 C ATOM 205 O2' G A 7 4.187 10.960 2.046 1.00 0.00 O ATOM 206 C1' G A 7 3.088 8.811 2.344 1.00 0.00 C ATOM 207 N9 G A 7 1.758 8.282 2.034 1.00 0.00 N ATOM 208 C8 G A 7 0.820 7.743 2.872 1.00 0.00 C ATOM 209 N7 G A 7 -0.307 7.489 2.268 1.00 0.00 N ATOM 210 C5 G A 7 -0.115 7.911 0.959 1.00 0.00 C ATOM 211 C6 G A 7 -1.027 7.972 -0.140 1.00 0.00 C ATOM 212 O6 G A 7 -2.222 7.679 -0.160 1.00 0.00 O ATOM 213 N1 G A 7 -0.437 8.472 -1.291 1.00 0.00 N ATOM 214 C2 G A 7 0.863 8.903 -1.372 1.00 0.00 C ATOM 215 N2 G A 7 1.296 9.380 -2.533 1.00 0.00 N ATOM 216 N3 G A 7 1.734 8.884 -0.343 1.00 0.00 N ATOM 217 C4 G A 7 1.170 8.374 0.797 1.00 0.00 C ATOM 0 H5' G A 7 4.109 8.358 6.358 1.00 0.00 H new ATOM 0 H5'' G A 7 3.022 9.731 6.417 1.00 0.00 H new ATOM 0 H4' G A 7 4.824 9.551 4.541 1.00 0.00 H new ATOM 0 H3' G A 7 1.940 10.510 4.453 1.00 0.00 H new ATOM 0 H2' G A 7 2.182 10.756 1.969 1.00 0.00 H new ATOM 0 HO2' G A 7 4.527 11.570 2.734 1.00 0.00 H new ATOM 0 H1' G A 7 3.733 8.542 1.507 1.00 0.00 H new ATOM 0 H8 G A 7 0.994 7.549 3.920 1.00 0.00 H new ATOM 0 H1 G A 7 -1.008 8.523 -2.135 1.00 0.00 H new ATOM 0 H21 G A 7 2.258 9.708 -2.623 1.00 0.00 H new ATOM 0 H22 G A 7 0.667 9.419 -3.335 1.00 0.00 H new ATOM 229 P C A 8 2.698 13.084 4.413 1.00 0.00 P ATOM 230 OP1 C A 8 3.534 14.207 3.946 1.00 0.00 O ATOM 231 OP2 C A 8 2.146 13.177 5.776 1.00 0.00 O ATOM 232 O5' C A 8 1.491 12.937 3.392 1.00 0.00 O ATOM 233 C5' C A 8 1.586 13.313 2.026 1.00 0.00 C ATOM 234 C4' C A 8 0.277 12.962 1.301 1.00 0.00 C ATOM 235 O4' C A 8 -0.018 11.577 1.315 1.00 0.00 O ATOM 236 C3' C A 8 -0.921 13.637 1.957 1.00 0.00 C ATOM 237 O3' C A 8 -1.077 14.967 1.498 1.00 0.00 O ATOM 238 C2' C A 8 -2.087 12.754 1.534 1.00 0.00 C ATOM 239 O2' C A 8 -2.586 13.116 0.259 1.00 0.00 O ATOM 240 C1' C A 8 -1.426 11.373 1.466 1.00 0.00 C ATOM 241 N1 C A 8 -1.713 10.578 2.687 1.00 0.00 N ATOM 242 C2 C A 8 -2.820 9.728 2.684 1.00 0.00 C ATOM 243 O2 C A 8 -3.711 9.878 1.843 1.00 0.00 O ATOM 244 N3 C A 8 -2.900 8.732 3.615 1.00 0.00 N ATOM 245 C4 C A 8 -1.944 8.607 4.547 1.00 0.00 C ATOM 246 N4 C A 8 -1.978 7.558 5.358 1.00 0.00 N ATOM 247 C5 C A 8 -0.906 9.593 4.682 1.00 0.00 C ATOM 248 C6 C A 8 -0.835 10.548 3.735 1.00 0.00 C ATOM 0 H5' C A 8 2.424 12.799 1.555 1.00 0.00 H new ATOM 0 H5'' C A 8 1.782 14.382 1.946 1.00 0.00 H new ATOM 0 H4' C A 8 0.437 13.306 0.279 1.00 0.00 H new ATOM 0 H3' C A 8 -0.827 13.724 3.039 1.00 0.00 H new ATOM 0 H2' C A 8 -2.941 12.820 2.208 1.00 0.00 H new ATOM 0 HO2' C A 8 -1.922 12.894 -0.427 1.00 0.00 H new ATOM 0 HO3' C A 8 -1.610 14.969 0.676 1.00 0.00 H new ATOM 0 H1' C A 8 -1.825 10.809 0.622 1.00 0.00 H new ATOM 0 H41 C A 8 -1.261 7.443 6.074 1.00 0.00 H new ATOM 0 H42 C A 8 -2.722 6.866 5.266 1.00 0.00 H new ATOM 0 H5 C A 8 -0.212 9.569 5.509 1.00 0.00 H new ATOM 0 H6 C A 8 -0.069 11.306 3.805 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -8.706 11.396 -4.541 1.00 0.00 O ATOM 263 C5' G B 101 -8.008 10.458 -5.348 1.00 0.00 C ATOM 264 C4' G B 101 -7.247 11.152 -6.492 1.00 0.00 C ATOM 265 O4' G B 101 -6.500 12.267 -6.007 1.00 0.00 O ATOM 266 C3' G B 101 -6.274 10.177 -7.178 1.00 0.00 C ATOM 267 O3' G B 101 -6.637 9.889 -8.526 1.00 0.00 O ATOM 268 C2' G B 101 -4.945 10.931 -7.179 1.00 0.00 C ATOM 269 O2' G B 101 -4.713 11.467 -8.465 1.00 0.00 O ATOM 270 C1' G B 101 -5.108 12.073 -6.204 1.00 0.00 C ATOM 271 N9 G B 101 -4.358 11.797 -4.962 1.00 0.00 N ATOM 272 C8 G B 101 -4.863 11.405 -3.764 1.00 0.00 C ATOM 273 N7 G B 101 -4.020 11.466 -2.768 1.00 0.00 N ATOM 274 C5 G B 101 -2.824 11.837 -3.379 1.00 0.00 C ATOM 275 C6 G B 101 -1.516 12.025 -2.827 1.00 0.00 C ATOM 276 O6 G B 101 -1.162 11.980 -1.647 1.00 0.00 O ATOM 277 N1 G B 101 -0.564 12.310 -3.793 1.00 0.00 N ATOM 278 C2 G B 101 -0.839 12.407 -5.138 1.00 0.00 C ATOM 279 N2 G B 101 0.163 12.586 -5.987 1.00 0.00 N ATOM 280 N3 G B 101 -2.067 12.309 -5.667 1.00 0.00 N ATOM 281 C4 G B 101 -3.018 12.015 -4.733 1.00 0.00 C ATOM 0 H5' G B 101 -8.713 9.738 -5.763 1.00 0.00 H new ATOM 0 H5'' G B 101 -7.306 9.897 -4.731 1.00 0.00 H new ATOM 0 H4' G B 101 -7.992 11.494 -7.210 1.00 0.00 H new ATOM 0 H3' G B 101 -6.256 9.218 -6.659 1.00 0.00 H new ATOM 0 H2' G B 101 -4.116 10.277 -6.910 1.00 0.00 H new ATOM 0 HO2' G B 101 -5.374 11.108 -9.093 1.00 0.00 H new ATOM 0 HO5' G B 101 -8.210 12.241 -4.518 1.00 0.00 H new ATOM 0 H1' G B 101 -4.687 13.002 -6.589 1.00 0.00 H new ATOM 0 H8 G B 101 -5.882 11.069 -3.644 1.00 0.00 H new ATOM 0 H1 G B 101 0.398 12.457 -3.489 1.00 0.00 H new ATOM 0 H21 G B 101 -0.023 12.660 -6.987 1.00 0.00 H new ATOM 0 H22 G B 101 1.120 12.650 -5.640 1.00 0.00 H new ATOM 294 P C B 102 -6.193 8.516 -9.216 1.00 0.00 P ATOM 295 OP1 C B 102 -6.504 8.598 -10.658 1.00 0.00 O ATOM 296 OP2 C B 102 -6.772 7.406 -8.443 1.00 0.00 O ATOM 297 O5' C B 102 -4.621 8.427 -9.036 1.00 0.00 O ATOM 298 C5' C B 102 -3.725 8.700 -10.090 1.00 0.00 C ATOM 299 C4' C B 102 -2.302 8.823 -9.561 1.00 0.00 C ATOM 300 O4' C B 102 -2.245 9.631 -8.390 1.00 0.00 O ATOM 301 C3' C B 102 -1.691 7.473 -9.218 1.00 0.00 C ATOM 302 O3' C B 102 -1.106 6.860 -10.359 1.00 0.00 O ATOM 303 C2' C B 102 -0.629 7.936 -8.235 1.00 0.00 C ATOM 304 O2' C B 102 0.446 8.452 -8.993 1.00 0.00 O ATOM 305 C1' C B 102 -1.325 9.055 -7.468 1.00 0.00 C ATOM 306 N1 C B 102 -1.959 8.588 -6.194 1.00 0.00 N ATOM 307 C2 C B 102 -1.300 8.879 -4.993 1.00 0.00 C ATOM 308 O2 C B 102 -0.166 9.364 -4.973 1.00 0.00 O ATOM 309 N3 C B 102 -1.918 8.632 -3.805 1.00 0.00 N ATOM 310 C4 C B 102 -3.125 8.054 -3.770 1.00 0.00 C ATOM 311 N4 C B 102 -3.673 7.818 -2.586 1.00 0.00 N ATOM 312 C5 C B 102 -3.791 7.668 -4.976 1.00 0.00 C ATOM 313 C6 C B 102 -3.171 7.936 -6.154 1.00 0.00 C ATOM 0 H5' C B 102 -4.014 9.624 -10.591 1.00 0.00 H new ATOM 0 H5'' C B 102 -3.776 7.905 -10.834 1.00 0.00 H new ATOM 0 H4' C B 102 -1.734 9.285 -10.369 1.00 0.00 H new ATOM 0 H3' C B 102 -2.389 6.724 -8.843 1.00 0.00 H new ATOM 0 H2' C B 102 -0.244 7.161 -7.572 1.00 0.00 H new ATOM 0 HO2' C B 102 1.278 8.008 -8.726 1.00 0.00 H new ATOM 0 H1' C B 102 -0.612 9.802 -7.119 1.00 0.00 H new ATOM 0 H41 C B 102 -4.592 7.379 -2.528 1.00 0.00 H new ATOM 0 H42 C B 102 -3.176 8.076 -1.733 1.00 0.00 H new ATOM 0 H5 C B 102 -4.754 7.180 -4.950 1.00 0.00 H new ATOM 0 H6 C B 102 -3.638 7.631 -7.079 1.00 0.00 H new ATOM 325 P C B 103 -0.746 5.311 -10.342 1.00 0.00 P ATOM 326 OP1 C B 103 -0.271 4.950 -11.698 1.00 0.00 O ATOM 327 OP2 C B 103 -1.928 4.609 -9.812 1.00 0.00 O ATOM 328 O5' C B 103 0.486 5.167 -9.345 1.00 0.00 O ATOM 329 C5' C B 103 1.794 5.561 -9.730 1.00 0.00 C ATOM 330 C4' C B 103 2.712 5.621 -8.507 1.00 0.00 C ATOM 331 O4' C B 103 2.154 6.479 -7.526 1.00 0.00 O ATOM 332 C3' C B 103 2.911 4.265 -7.840 1.00 0.00 C ATOM 333 O3' C B 103 3.967 3.551 -8.480 1.00 0.00 O ATOM 334 C2' C B 103 3.237 4.697 -6.410 1.00 0.00 C ATOM 335 O2' C B 103 4.623 4.910 -6.217 1.00 0.00 O ATOM 336 C1' C B 103 2.448 5.992 -6.226 1.00 0.00 C ATOM 337 N1 C B 103 1.233 5.768 -5.393 1.00 0.00 N ATOM 338 C2 C B 103 1.342 5.974 -4.011 1.00 0.00 C ATOM 339 O2 C B 103 2.405 6.342 -3.490 1.00 0.00 O ATOM 340 N3 C B 103 0.262 5.752 -3.215 1.00 0.00 N ATOM 341 C4 C B 103 -0.898 5.342 -3.748 1.00 0.00 C ATOM 342 N4 C B 103 -1.922 5.137 -2.941 1.00 0.00 N ATOM 343 C5 C B 103 -1.034 5.098 -5.154 1.00 0.00 C ATOM 344 C6 C B 103 0.053 5.312 -5.935 1.00 0.00 C ATOM 0 H5' C B 103 1.759 6.536 -10.215 1.00 0.00 H new ATOM 0 H5'' C B 103 2.194 4.856 -10.459 1.00 0.00 H new ATOM 0 H4' C B 103 3.673 5.981 -8.875 1.00 0.00 H new ATOM 0 H3' C B 103 2.067 3.577 -7.890 1.00 0.00 H new ATOM 0 H2' C B 103 2.970 3.930 -5.683 1.00 0.00 H new ATOM 0 HO2' C B 103 5.108 4.073 -6.373 1.00 0.00 H new ATOM 0 H1' C B 103 3.025 6.739 -5.681 1.00 0.00 H new ATOM 0 H41 C B 103 -2.816 4.825 -3.320 1.00 0.00 H new ATOM 0 H42 C B 103 -1.819 5.291 -1.938 1.00 0.00 H new ATOM 0 H5 C B 103 -1.968 4.756 -5.575 1.00 0.00 H new ATOM 0 H6 C B 103 -0.008 5.122 -6.996 1.00 0.00 H new ATOM 356 P A B 104 4.372 2.055 -8.055 1.00 0.00 P ATOM 357 OP1 A B 104 5.256 1.516 -9.107 1.00 0.00 O ATOM 358 OP2 A B 104 3.155 1.323 -7.655 1.00 0.00 O ATOM 359 O5' A B 104 5.240 2.331 -6.742 1.00 0.00 O ATOM 360 C5' A B 104 6.542 1.814 -6.533 1.00 0.00 C ATOM 361 C4' A B 104 6.922 1.968 -5.047 1.00 0.00 C ATOM 362 O4' A B 104 6.141 2.975 -4.402 1.00 0.00 O ATOM 363 C3' A B 104 6.794 0.693 -4.205 1.00 0.00 C ATOM 364 O3' A B 104 8.024 -0.013 -4.235 1.00 0.00 O ATOM 365 C2' A B 104 6.538 1.289 -2.818 1.00 0.00 C ATOM 366 O2' A B 104 7.765 1.727 -2.238 1.00 0.00 O ATOM 367 C1' A B 104 5.664 2.503 -3.137 1.00 0.00 C ATOM 368 N9 A B 104 4.206 2.182 -3.160 1.00 0.00 N ATOM 369 C8 A B 104 3.335 2.046 -4.215 1.00 0.00 C ATOM 370 N7 A B 104 2.072 1.976 -3.900 1.00 0.00 N ATOM 371 C5 A B 104 2.116 1.942 -2.515 1.00 0.00 C ATOM 372 C6 A B 104 1.119 1.805 -1.533 1.00 0.00 C ATOM 373 N6 A B 104 -0.172 1.691 -1.830 1.00 0.00 N ATOM 374 N1 A B 104 1.482 1.766 -0.247 1.00 0.00 N ATOM 375 C2 A B 104 2.770 1.868 0.069 1.00 0.00 C ATOM 376 N3 A B 104 3.813 1.998 -0.754 1.00 0.00 N ATOM 377 C4 A B 104 3.410 2.014 -2.054 1.00 0.00 C ATOM 0 H5' A B 104 7.260 2.343 -7.160 1.00 0.00 H new ATOM 0 H5'' A B 104 6.579 0.764 -6.822 1.00 0.00 H new ATOM 0 H4' A B 104 7.977 2.240 -5.091 1.00 0.00 H new ATOM 0 H3' A B 104 6.030 -0.012 -4.532 1.00 0.00 H new ATOM 0 H2' A B 104 6.087 0.585 -2.118 1.00 0.00 H new ATOM 0 HO2' A B 104 8.517 1.330 -2.725 1.00 0.00 H new ATOM 0 H1' A B 104 5.745 3.265 -2.362 1.00 0.00 H new ATOM 0 H8 A B 104 3.675 2.000 -5.239 1.00 0.00 H new ATOM 0 H61 A B 104 -0.860 1.594 -1.084 1.00 0.00 H new ATOM 0 H62 A B 104 -0.474 1.701 -2.804 1.00 0.00 H new ATOM 0 H2 A B 104 3.001 1.842 1.124 1.00 0.00 H new ATOM 389 P DC B 105 8.151 -1.546 -3.842 1.00 0.00 P ATOM 390 OP1 DC B 105 9.596 -1.741 -3.605 1.00 0.00 O ATOM 391 OP2 DC B 105 7.518 -2.333 -4.912 1.00 0.00 O ATOM 392 O5' DC B 105 7.408 -1.815 -2.462 1.00 0.00 O ATOM 393 C5' DC B 105 8.033 -1.603 -1.207 1.00 0.00 C ATOM 394 C4' DC B 105 7.062 -1.794 -0.043 1.00 0.00 C ATOM 395 O4' DC B 105 6.009 -0.853 -0.145 1.00 0.00 O ATOM 396 C3' DC B 105 6.436 -3.190 0.049 1.00 0.00 C ATOM 397 O3' DC B 105 7.295 -4.096 0.728 1.00 0.00 O ATOM 398 C2' DC B 105 5.196 -2.828 0.861 1.00 0.00 C ATOM 399 C1' DC B 105 4.805 -1.454 0.315 1.00 0.00 C ATOM 400 N1 DC B 105 3.788 -1.539 -0.770 1.00 0.00 N ATOM 401 C2 DC B 105 2.447 -1.643 -0.406 1.00 0.00 C ATOM 402 O2 DC B 105 2.113 -1.834 0.762 1.00 0.00 O ATOM 403 N3 DC B 105 1.477 -1.559 -1.357 1.00 0.00 N ATOM 404 C4 DC B 105 1.814 -1.348 -2.632 1.00 0.00 C ATOM 405 N4 DC B 105 0.847 -1.177 -3.513 1.00 0.00 N ATOM 406 C5 DC B 105 3.177 -1.325 -3.059 1.00 0.00 C ATOM 407 C6 DC B 105 4.122 -1.431 -2.097 1.00 0.00 C ATOM 0 H5' DC B 105 8.445 -0.594 -1.173 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.870 -2.293 -1.098 1.00 0.00 H new ATOM 0 H4' DC B 105 7.662 -1.653 0.856 1.00 0.00 H new ATOM 0 H3' DC B 105 6.237 -3.697 -0.895 1.00 0.00 H new ATOM 0 H2' DC B 105 4.398 -3.557 0.723 1.00 0.00 H new ATOM 0 H2'' DC B 105 5.412 -2.790 1.929 1.00 0.00 H new ATOM 0 H1' DC B 105 4.334 -0.856 1.095 1.00 0.00 H new ATOM 0 H41 DC B 105 1.074 -1.014 -4.494 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.127 -1.208 -3.213 1.00 0.00 H new ATOM 0 H5 DC B 105 3.441 -1.227 -4.102 1.00 0.00 H new ATOM 0 H6 DC B 105 5.164 -1.431 -2.380 1.00 0.00 H new ATOM 419 P DT B 106 7.078 -5.685 0.693 1.00 0.00 P ATOM 420 OP1 DT B 106 8.219 -6.259 1.438 1.00 0.00 O ATOM 421 OP2 DT B 106 6.861 -6.112 -0.698 1.00 0.00 O ATOM 422 O5' DT B 106 5.750 -5.985 1.494 1.00 0.00 O ATOM 423 C5' DT B 106 5.663 -5.842 2.897 1.00 0.00 C ATOM 424 C4' DT B 106 4.210 -6.070 3.314 1.00 0.00 C ATOM 425 O4' DT B 106 3.384 -5.135 2.635 1.00 0.00 O ATOM 426 C3' DT B 106 3.689 -7.470 2.968 1.00 0.00 C ATOM 427 O3' DT B 106 3.997 -8.390 4.010 1.00 0.00 O ATOM 428 C2' DT B 106 2.203 -7.176 2.812 1.00 0.00 C ATOM 429 C1' DT B 106 2.126 -5.728 2.351 1.00 0.00 C ATOM 430 N1 DT B 106 1.772 -5.632 0.909 1.00 0.00 N ATOM 431 C2 DT B 106 0.417 -5.671 0.574 1.00 0.00 C ATOM 432 O2 DT B 106 -0.466 -5.976 1.379 1.00 0.00 O ATOM 433 N3 DT B 106 0.097 -5.341 -0.728 1.00 0.00 N ATOM 434 C4 DT B 106 0.999 -5.059 -1.738 1.00 0.00 C ATOM 435 O4 DT B 106 0.579 -4.738 -2.852 1.00 0.00 O ATOM 436 C5 DT B 106 2.399 -5.195 -1.351 1.00 0.00 C ATOM 437 C7 DT B 106 3.490 -5.018 -2.392 1.00 0.00 C ATOM 438 C6 DT B 106 2.732 -5.480 -0.065 1.00 0.00 C ATOM 0 H5' DT B 106 5.993 -4.848 3.198 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.317 -6.559 3.393 1.00 0.00 H new ATOM 0 H4' DT B 106 4.178 -5.953 4.397 1.00 0.00 H new ATOM 0 H3' DT B 106 4.122 -7.944 2.087 1.00 0.00 H new ATOM 0 H2' DT B 106 1.744 -7.845 2.084 1.00 0.00 H new ATOM 0 H2'' DT B 106 1.673 -7.318 3.754 1.00 0.00 H new ATOM 0 H1' DT B 106 1.334 -5.196 2.879 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.894 -5.302 -0.967 1.00 0.00 H new ATOM 0 H71 DT B 106 4.389 -4.628 -1.914 1.00 0.00 H new ATOM 0 H72 DT B 106 3.712 -5.980 -2.853 1.00 0.00 H new ATOM 0 H73 DT B 106 3.153 -4.318 -3.157 1.00 0.00 H new ATOM 0 H6 DT B 106 3.774 -5.590 0.199 1.00 0.00 H new ATOM 451 P DG B 107 3.454 -9.896 4.060 1.00 0.00 P ATOM 452 OP1 DG B 107 4.184 -10.621 5.122 1.00 0.00 O ATOM 453 OP2 DG B 107 3.412 -10.487 2.706 1.00 0.00 O ATOM 454 O5' DG B 107 1.939 -9.784 4.509 1.00 0.00 O ATOM 455 C5' DG B 107 1.562 -9.153 5.721 1.00 0.00 C ATOM 456 C4' DG B 107 0.030 -9.085 5.818 1.00 0.00 C ATOM 457 O4' DG B 107 -0.505 -8.510 4.621 1.00 0.00 O ATOM 458 C3' DG B 107 -0.568 -10.491 5.976 1.00 0.00 C ATOM 459 O3' DG B 107 -1.667 -10.534 6.888 1.00 0.00 O ATOM 460 C2' DG B 107 -0.970 -10.790 4.544 1.00 0.00 C ATOM 461 C1' DG B 107 -1.364 -9.442 3.977 1.00 0.00 C ATOM 462 N9 DG B 107 -1.210 -9.508 2.504 1.00 0.00 N ATOM 463 C8 DG B 107 -0.058 -9.755 1.796 1.00 0.00 C ATOM 464 N7 DG B 107 -0.237 -9.976 0.523 1.00 0.00 N ATOM 465 C5 DG B 107 -1.614 -9.881 0.375 1.00 0.00 C ATOM 466 C6 DG B 107 -2.397 -10.053 -0.808 1.00 0.00 C ATOM 467 O6 DG B 107 -1.987 -10.291 -1.943 1.00 0.00 O ATOM 468 N1 DG B 107 -3.758 -9.910 -0.571 1.00 0.00 N ATOM 469 C2 DG B 107 -4.301 -9.625 0.661 1.00 0.00 C ATOM 470 N2 DG B 107 -5.616 -9.442 0.742 1.00 0.00 N ATOM 471 N3 DG B 107 -3.576 -9.484 1.787 1.00 0.00 N ATOM 472 C4 DG B 107 -2.227 -9.612 1.575 1.00 0.00 C ATOM 0 H5' DG B 107 1.983 -8.149 5.765 1.00 0.00 H new ATOM 0 H5'' DG B 107 1.965 -9.705 6.570 1.00 0.00 H new ATOM 0 H4' DG B 107 -0.225 -8.477 6.686 1.00 0.00 H new ATOM 0 H3' DG B 107 0.116 -11.221 6.409 1.00 0.00 H new ATOM 0 H2' DG B 107 -0.146 -11.232 3.984 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.799 -11.497 4.503 1.00 0.00 H new ATOM 0 H1' DG B 107 -2.397 -9.144 4.154 1.00 0.00 H new ATOM 0 H8 DG B 107 0.918 -9.765 2.257 1.00 0.00 H new ATOM 0 H1 DG B 107 -4.395 -10.023 -1.360 1.00 0.00 H new ATOM 0 H21 DG B 107 -6.047 -9.229 1.642 1.00 0.00 H new ATOM 0 H22 DG B 107 -6.193 -9.514 -0.096 1.00 0.00 H new ATOM 484 P DC B 108 -2.434 -11.910 7.231 1.00 0.00 P ATOM 485 OP1 DC B 108 -3.125 -11.748 8.525 1.00 0.00 O ATOM 486 OP2 DC B 108 -1.502 -13.041 7.051 1.00 0.00 O ATOM 487 O5' DC B 108 -3.548 -12.045 6.120 1.00 0.00 O ATOM 488 C5' DC B 108 -4.617 -11.123 6.047 1.00 0.00 C ATOM 489 C4' DC B 108 -5.794 -11.733 5.284 1.00 0.00 C ATOM 490 O4' DC B 108 -5.445 -11.832 3.915 1.00 0.00 O ATOM 491 C3' DC B 108 -6.128 -13.146 5.787 1.00 0.00 C ATOM 492 O3' DC B 108 -7.521 -13.415 5.774 1.00 0.00 O ATOM 493 C2' DC B 108 -5.438 -14.044 4.765 1.00 0.00 C ATOM 494 C1' DC B 108 -5.477 -13.185 3.497 1.00 0.00 C ATOM 495 N1 DC B 108 -4.348 -13.434 2.562 1.00 0.00 N ATOM 496 C2 DC B 108 -4.621 -13.715 1.224 1.00 0.00 C ATOM 497 O2 DC B 108 -5.771 -13.930 0.826 1.00 0.00 O ATOM 498 N3 DC B 108 -3.591 -13.760 0.332 1.00 0.00 N ATOM 499 C4 DC B 108 -2.333 -13.533 0.723 1.00 0.00 C ATOM 500 N4 DC B 108 -1.390 -13.569 -0.203 1.00 0.00 N ATOM 501 C5 DC B 108 -2.012 -13.332 2.102 1.00 0.00 C ATOM 502 C6 DC B 108 -3.050 -13.287 2.979 1.00 0.00 C ATOM 0 H5' DC B 108 -4.286 -10.211 5.550 1.00 0.00 H new ATOM 0 H5'' DC B 108 -4.933 -10.842 7.052 1.00 0.00 H new ATOM 0 H4' DC B 108 -6.662 -11.091 5.437 1.00 0.00 H new ATOM 0 H3' DC B 108 -5.808 -13.291 6.819 1.00 0.00 H new ATOM 0 H2' DC B 108 -4.417 -14.287 5.060 1.00 0.00 H new ATOM 0 H2'' DC B 108 -5.965 -14.989 4.632 1.00 0.00 H new ATOM 0 HO3' DC B 108 -7.682 -14.325 6.101 1.00 0.00 H new ATOM 0 H1' DC B 108 -6.381 -13.439 2.944 1.00 0.00 H new ATOM 0 H41 DC B 108 -0.417 -13.401 0.053 1.00 0.00 H new ATOM 0 H42 DC B 108 -1.636 -13.765 -1.174 1.00 0.00 H new ATOM 0 H5 DC B 108 -0.990 -13.221 2.432 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.847 -13.132 4.028 1.00 0.00 H new TER 515 DC B 108