USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 153 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot 180:sc= -0.0222 USER MOD Single : A 2 G O2' : rot -29:sc= 0.0955 USER MOD Single : A 3 C O2' : rot -68:sc= 0.715 USER MOD Single : A 4 A O2' : rot -119:sc= 0.333 USER MOD Single : A 5 C O2' : rot -19:sc= 0.131 USER MOD Single : A 6 U O2' : rot -170:sc= 1.3 USER MOD Single : A 7 U O2' : rot -83:sc= 1.24 USER MOD Single : A 8 C O2' : rot 22:sc= 0.182 USER MOD Single : A 9 G O2' : rot -26:sc= 0.154 USER MOD Single : A 10 G O2' : rot -19:sc= 0.112 USER MOD Single : A 11 U O2' : rot -24:sc= 0.202 USER MOD Single : A 12 G O2' : rot -28:sc= 0.106 USER MOD Single : A 13 C O2' : rot -114:sc= 0.361 USER MOD Single : A 14 C O2' : rot -20:sc= 0.359 USER MOD Single : A 14 C O3' : rot 180:sc= 0.303 USER MOD ----------------------------------------------------------------- ATOM 1 OP3 G A 1 -12.110 -4.412 9.928 1.00 10.00 O ATOM 2 P G A 1 -13.008 -5.698 9.666 1.00 10.00 P ATOM 3 OP1 G A 1 -14.385 -5.243 9.368 1.00 10.00 O ATOM 4 OP2 G A 1 -12.777 -6.656 10.770 1.00 10.00 O ATOM 5 O5' G A 1 -12.385 -6.297 8.330 1.00 10.00 O ATOM 6 C5' G A 1 -12.805 -7.565 7.839 1.00 10.00 C ATOM 7 C4' G A 1 -13.059 -7.499 6.350 1.00 10.00 C ATOM 8 O4' G A 1 -13.902 -6.352 6.040 1.00 10.00 O ATOM 9 C3' G A 1 -11.833 -7.300 5.471 1.00 10.00 C ATOM 10 O3' G A 1 -11.148 -8.529 5.241 1.00 10.00 O ATOM 11 C2' G A 1 -12.459 -6.745 4.199 1.00 10.00 C ATOM 12 O2' G A 1 -13.086 -7.752 3.427 1.00 10.00 O ATOM 13 C1' G A 1 -13.526 -5.819 4.780 1.00 10.00 C ATOM 14 N9 G A 1 -13.064 -4.447 4.957 1.00 10.00 N ATOM 15 C8 G A 1 -12.699 -3.834 6.132 1.00 10.00 C ATOM 16 N7 G A 1 -12.312 -2.597 5.975 1.00 10.00 N ATOM 17 C5 G A 1 -12.421 -2.377 4.608 1.00 10.00 C ATOM 18 C6 G A 1 -12.135 -1.217 3.843 1.00 10.00 C ATOM 19 O6 G A 1 -11.711 -0.120 4.238 1.00 10.00 O ATOM 20 N1 G A 1 -12.382 -1.414 2.486 1.00 10.00 N ATOM 21 C2 G A 1 -12.848 -2.589 1.942 1.00 10.00 C ATOM 22 N2 G A 1 -13.038 -2.593 0.611 1.00 10.00 N ATOM 23 N3 G A 1 -13.121 -3.679 2.646 1.00 10.00 N ATOM 24 C4 G A 1 -12.883 -3.506 3.964 1.00 10.00 C ATOM 0 H5' G A 1 -13.712 -7.879 8.355 1.00 10.00 H new ATOM 0 H5'' G A 1 -12.042 -8.314 8.051 1.00 10.00 H new ATOM 0 H4' G A 1 -13.499 -8.473 6.134 1.00 10.00 H new ATOM 0 H3' G A 1 -11.072 -6.651 5.904 1.00 10.00 H new ATOM 0 H2' G A 1 -11.733 -6.278 3.533 1.00 10.00 H new ATOM 0 HO2' G A 1 -13.475 -7.352 2.621 1.00 10.00 H new ATOM 0 H1' G A 1 -14.360 -5.773 4.080 1.00 10.00 H new ATOM 0 H8 G A 1 -12.729 -4.328 7.092 1.00 10.00 H new ATOM 0 H1 G A 1 -12.205 -0.634 1.853 1.00 10.00 H new ATOM 0 H21 G A 1 -13.382 -3.434 0.147 1.00 10.00 H new ATOM 0 H22 G A 1 -12.838 -1.755 0.065 1.00 10.00 H new ATOM 37 P G A 2 -9.566 -8.542 4.943 1.00 10.00 P ATOM 38 OP1 G A 2 -9.110 -9.949 4.977 1.00 10.00 O ATOM 39 OP2 G A 2 -8.917 -7.556 5.838 1.00 10.00 O ATOM 40 O5' G A 2 -9.446 -8.023 3.441 1.00 10.00 O ATOM 41 C5' G A 2 -10.074 -8.742 2.385 1.00 10.00 C ATOM 42 C4' G A 2 -10.189 -7.894 1.137 1.00 10.00 C ATOM 43 O4' G A 2 -10.856 -6.643 1.456 1.00 10.00 O ATOM 44 C3' G A 2 -8.877 -7.466 0.496 1.00 10.00 C ATOM 45 O3' G A 2 -8.373 -8.479 -0.366 1.00 10.00 O ATOM 46 C2' G A 2 -9.300 -6.228 -0.285 1.00 10.00 C ATOM 47 O2' G A 2 -9.969 -6.566 -1.483 1.00 10.00 O ATOM 48 C1' G A 2 -10.294 -5.595 0.685 1.00 10.00 C ATOM 49 N9 G A 2 -9.685 -4.622 1.588 1.00 10.00 N ATOM 50 C8 G A 2 -9.444 -4.781 2.929 1.00 10.00 C ATOM 51 N7 G A 2 -8.906 -3.727 3.484 1.00 10.00 N ATOM 52 C5 G A 2 -8.783 -2.816 2.442 1.00 10.00 C ATOM 53 C6 G A 2 -8.263 -1.490 2.431 1.00 10.00 C ATOM 54 O6 G A 2 -7.779 -0.841 3.369 1.00 10.00 O ATOM 55 N1 G A 2 -8.323 -0.918 1.163 1.00 10.00 N ATOM 56 C2 G A 2 -8.820 -1.552 0.046 1.00 10.00 C ATOM 57 N2 G A 2 -8.799 -0.844 -1.096 1.00 10.00 N ATOM 58 N3 G A 2 -9.306 -2.785 0.040 1.00 10.00 N ATOM 59 C4 G A 2 -9.256 -3.355 1.264 1.00 10.00 C ATOM 0 H5' G A 2 -11.066 -9.065 2.701 1.00 10.00 H new ATOM 0 H5'' G A 2 -9.501 -9.643 2.164 1.00 10.00 H new ATOM 0 H4' G A 2 -10.723 -8.542 0.443 1.00 10.00 H new ATOM 0 H3' G A 2 -8.074 -7.281 1.209 1.00 10.00 H new ATOM 0 H2' G A 2 -8.462 -5.598 -0.582 1.00 10.00 H new ATOM 0 HO2' G A 2 -9.644 -7.432 -1.806 1.00 10.00 H new ATOM 0 H1' G A 2 -11.039 -5.054 0.101 1.00 10.00 H new ATOM 0 H8 G A 2 -9.675 -5.686 3.471 1.00 10.00 H new ATOM 0 H1 G A 2 -7.975 0.035 1.054 1.00 10.00 H new ATOM 0 H21 G A 2 -9.153 -1.257 -1.959 1.00 10.00 H new ATOM 0 H22 G A 2 -8.429 0.107 -1.100 1.00 10.00 H new ATOM 71 P C A 3 -6.908 -8.330 -0.997 1.00 10.00 P ATOM 72 OP1 C A 3 -6.645 -9.564 -1.774 1.00 10.00 O ATOM 73 OP2 C A 3 -5.973 -7.932 0.084 1.00 10.00 O ATOM 74 O5' C A 3 -7.041 -7.115 -2.017 1.00 10.00 O ATOM 75 C5' C A 3 -7.083 -7.317 -3.428 1.00 10.00 C ATOM 76 C4' C A 3 -6.644 -6.063 -4.147 1.00 10.00 C ATOM 77 O4' C A 3 -7.087 -4.892 -3.415 1.00 10.00 O ATOM 78 C3' C A 3 -5.138 -5.894 -4.277 1.00 10.00 C ATOM 79 O3' C A 3 -4.684 -6.563 -5.447 1.00 10.00 O ATOM 80 C2' C A 3 -4.967 -4.382 -4.390 1.00 10.00 C ATOM 81 O2' C A 3 -5.093 -3.956 -5.732 1.00 10.00 O ATOM 82 C1' C A 3 -6.152 -3.841 -3.582 1.00 10.00 C ATOM 83 N1 C A 3 -5.800 -3.309 -2.252 1.00 10.00 N ATOM 84 C2 C A 3 -5.348 -1.990 -2.160 1.00 10.00 C ATOM 85 O2 C A 3 -5.170 -1.344 -3.201 1.00 10.00 O ATOM 86 N3 C A 3 -5.105 -1.451 -0.944 1.00 10.00 N ATOM 87 C4 C A 3 -5.297 -2.173 0.161 1.00 10.00 C ATOM 88 N4 C A 3 -5.095 -1.574 1.340 1.00 10.00 N ATOM 89 C5 C A 3 -5.745 -3.525 0.101 1.00 10.00 C ATOM 90 C6 C A 3 -5.976 -4.048 -1.112 1.00 10.00 C ATOM 0 H5' C A 3 -8.094 -7.586 -3.734 1.00 10.00 H new ATOM 0 H5'' C A 3 -6.435 -8.149 -3.703 1.00 10.00 H new ATOM 0 H4' C A 3 -7.081 -6.161 -5.141 1.00 10.00 H new ATOM 0 H3' C A 3 -4.567 -6.312 -3.448 1.00 10.00 H new ATOM 0 H2' C A 3 -3.991 -4.045 -4.041 1.00 10.00 H new ATOM 0 HO2' C A 3 -4.333 -4.290 -6.254 1.00 10.00 H new ATOM 0 H1' C A 3 -6.555 -3.000 -4.146 1.00 10.00 H new ATOM 0 H41 C A 3 -5.232 -2.094 2.207 1.00 10.00 H new ATOM 0 H42 C A 3 -4.804 -0.597 1.372 1.00 10.00 H new ATOM 0 H5 C A 3 -5.893 -4.106 0.999 1.00 10.00 H new ATOM 0 H6 C A 3 -6.308 -5.073 -1.192 1.00 10.00 H new ATOM 102 P A A 4 -3.118 -6.723 -5.745 1.00 10.00 P ATOM 103 OP1 A A 4 -2.972 -7.716 -6.834 1.00 10.00 O ATOM 104 OP2 A A 4 -2.429 -6.947 -4.453 1.00 10.00 O ATOM 105 O5' A A 4 -2.683 -5.299 -6.305 1.00 10.00 O ATOM 106 C5' A A 4 -2.171 -5.176 -7.625 1.00 10.00 C ATOM 107 C4' A A 4 -1.367 -3.908 -7.779 1.00 10.00 C ATOM 108 O4' A A 4 -1.897 -2.873 -6.910 1.00 10.00 O ATOM 109 C3' A A 4 0.108 -3.996 -7.410 1.00 10.00 C ATOM 110 O3' A A 4 0.865 -4.495 -8.511 1.00 10.00 O ATOM 111 C2' A A 4 0.439 -2.545 -7.098 1.00 10.00 C ATOM 112 O2' A A 4 0.668 -1.817 -8.288 1.00 10.00 O ATOM 113 C1' A A 4 -0.841 -2.065 -6.419 1.00 10.00 C ATOM 114 N9 A A 4 -0.826 -2.180 -4.958 1.00 10.00 N ATOM 115 C8 A A 4 -1.169 -3.272 -4.196 1.00 10.00 C ATOM 116 N7 A A 4 -1.040 -3.081 -2.906 1.00 10.00 N ATOM 117 C5 A A 4 -0.576 -1.777 -2.810 1.00 10.00 C ATOM 118 C6 A A 4 -0.243 -0.982 -1.703 1.00 10.00 C ATOM 119 N6 A A 4 -0.337 -1.406 -0.440 1.00 10.00 N ATOM 120 N1 A A 4 0.186 0.276 -1.942 1.00 10.00 N ATOM 121 C2 A A 4 0.272 0.695 -3.213 1.00 10.00 C ATOM 122 N3 A A 4 -0.012 0.037 -4.338 1.00 10.00 N ATOM 123 C4 A A 4 -0.437 -1.209 -4.065 1.00 10.00 C ATOM 0 H5' A A 4 -2.994 -5.178 -8.339 1.00 10.00 H new ATOM 0 H5'' A A 4 -1.545 -6.038 -7.858 1.00 10.00 H new ATOM 0 H4' A A 4 -1.447 -3.699 -8.846 1.00 10.00 H new ATOM 0 H3' A A 4 0.333 -4.672 -6.585 1.00 10.00 H new ATOM 0 H2' A A 4 1.337 -2.420 -6.493 1.00 10.00 H new ATOM 0 HO2' A A 4 1.584 -1.469 -8.288 1.00 10.00 H new ATOM 0 H1' A A 4 -0.955 -1.005 -6.645 1.00 10.00 H new ATOM 0 H8 A A 4 -1.513 -4.203 -4.622 1.00 10.00 H new ATOM 0 H61 A A 4 -0.081 -0.784 0.327 1.00 10.00 H new ATOM 0 H62 A A 4 -0.665 -2.352 -0.243 1.00 10.00 H new ATOM 0 H2 A A 4 0.621 1.709 -3.344 1.00 10.00 H new ATOM 135 P C A 5 2.294 -5.181 -8.267 1.00 10.00 P ATOM 136 OP1 C A 5 2.822 -5.590 -9.591 1.00 10.00 O ATOM 137 OP2 C A 5 2.158 -6.193 -7.193 1.00 10.00 O ATOM 138 O5' C A 5 3.175 -3.977 -7.721 1.00 10.00 O ATOM 139 C5' C A 5 3.961 -3.169 -8.586 1.00 10.00 C ATOM 140 C4' C A 5 4.229 -1.844 -7.919 1.00 10.00 C ATOM 141 O4' C A 5 3.179 -1.588 -6.950 1.00 10.00 O ATOM 142 C3' C A 5 5.500 -1.773 -7.094 1.00 10.00 C ATOM 143 O3' C A 5 6.612 -1.463 -7.923 1.00 10.00 O ATOM 144 C2' C A 5 5.183 -0.633 -6.132 1.00 10.00 C ATOM 145 O2' C A 5 5.328 0.625 -6.760 1.00 10.00 O ATOM 146 C1' C A 5 3.703 -0.895 -5.836 1.00 10.00 C ATOM 147 N1 C A 5 3.489 -1.682 -4.608 1.00 10.00 N ATOM 148 C2 C A 5 3.729 -1.064 -3.377 1.00 10.00 C ATOM 149 O2 C A 5 4.161 0.099 -3.360 1.00 10.00 O ATOM 150 N3 C A 5 3.497 -1.745 -2.234 1.00 10.00 N ATOM 151 C4 C A 5 3.035 -2.995 -2.281 1.00 10.00 C ATOM 152 N4 C A 5 2.820 -3.624 -1.124 1.00 10.00 N ATOM 153 C5 C A 5 2.779 -3.655 -3.519 1.00 10.00 C ATOM 154 C6 C A 5 3.025 -2.972 -4.647 1.00 10.00 C ATOM 0 H5' C A 5 3.441 -3.015 -9.532 1.00 10.00 H new ATOM 0 H5'' C A 5 4.901 -3.670 -8.817 1.00 10.00 H new ATOM 0 H4' C A 5 4.297 -1.138 -8.747 1.00 10.00 H new ATOM 0 H3' C A 5 5.766 -2.703 -6.592 1.00 10.00 H new ATOM 0 H2' C A 5 5.833 -0.605 -5.258 1.00 10.00 H new ATOM 0 HO2' C A 5 5.885 0.529 -7.560 1.00 10.00 H new ATOM 0 H1' C A 5 3.200 0.058 -5.670 1.00 10.00 H new ATOM 0 H41 C A 5 2.467 -4.581 -1.122 1.00 10.00 H new ATOM 0 H42 C A 5 3.009 -3.148 -0.242 1.00 10.00 H new ATOM 0 H5 C A 5 2.401 -4.666 -3.547 1.00 10.00 H new ATOM 0 H6 C A 5 2.855 -3.446 -5.602 1.00 10.00 H new ATOM 166 P U A 6 8.011 -2.218 -7.722 1.00 10.00 P ATOM 167 OP1 U A 6 8.968 -1.667 -8.708 1.00 10.00 O ATOM 168 OP2 U A 6 7.742 -3.678 -7.716 1.00 10.00 O ATOM 169 O5' U A 6 8.482 -1.773 -6.269 1.00 10.00 O ATOM 170 C5' U A 6 9.055 -0.484 -6.061 1.00 10.00 C ATOM 171 C4' U A 6 9.221 -0.205 -4.584 1.00 10.00 C ATOM 172 O4' U A 6 7.973 -0.473 -3.895 1.00 10.00 O ATOM 173 C3' U A 6 10.232 -1.072 -3.851 1.00 10.00 C ATOM 174 O3' U A 6 11.558 -0.587 -4.045 1.00 10.00 O ATOM 175 C2' U A 6 9.777 -0.927 -2.404 1.00 10.00 C ATOM 176 O2' U A 6 10.247 0.277 -1.823 1.00 10.00 O ATOM 177 C1' U A 6 8.255 -0.848 -2.558 1.00 10.00 C ATOM 178 N1 U A 6 7.561 -2.114 -2.264 1.00 10.00 N ATOM 179 C2 U A 6 7.239 -2.379 -0.946 1.00 10.00 C ATOM 180 O2 U A 6 7.525 -1.627 -0.031 1.00 10.00 O ATOM 181 N3 U A 6 6.586 -3.566 -0.733 1.00 10.00 N ATOM 182 C4 U A 6 6.229 -4.503 -1.679 1.00 10.00 C ATOM 183 O4 U A 6 5.629 -5.522 -1.329 1.00 10.00 O ATOM 184 C5 U A 6 6.602 -4.163 -3.018 1.00 10.00 C ATOM 185 C6 U A 6 7.238 -3.010 -3.264 1.00 10.00 C ATOM 0 H5' U A 6 8.420 0.279 -6.511 1.00 10.00 H new ATOM 0 H5'' U A 6 10.023 -0.426 -6.558 1.00 10.00 H new ATOM 0 H4' U A 6 9.558 0.832 -4.562 1.00 10.00 H new ATOM 0 H3' U A 6 10.266 -2.107 -4.192 1.00 10.00 H new ATOM 0 H2' U A 6 10.140 -1.732 -1.765 1.00 10.00 H new ATOM 0 HO2' U A 6 10.073 0.265 -0.859 1.00 10.00 H new ATOM 0 H1' U A 6 7.891 -0.120 -1.833 1.00 10.00 H new ATOM 0 H3 U A 6 6.337 -3.779 0.233 1.00 10.00 H new ATOM 0 H5 U A 6 6.371 -4.836 -3.830 1.00 10.00 H new ATOM 0 H6 U A 6 7.508 -2.772 -4.282 1.00 10.00 H new ATOM 196 P U A 7 12.824 -1.522 -3.726 1.00 10.00 P ATOM 197 OP1 U A 7 13.924 -1.136 -4.646 1.00 10.00 O ATOM 198 OP2 U A 7 12.358 -2.929 -3.716 1.00 10.00 O ATOM 199 O5' U A 7 13.244 -1.127 -2.242 1.00 10.00 O ATOM 200 C5' U A 7 14.502 -1.518 -1.694 1.00 10.00 C ATOM 201 C4' U A 7 14.970 -0.494 -0.688 1.00 10.00 C ATOM 202 O4' U A 7 15.064 0.790 -1.361 1.00 10.00 O ATOM 203 C3' U A 7 14.042 -0.291 0.510 1.00 10.00 C ATOM 204 O3' U A 7 14.764 -0.304 1.737 1.00 10.00 O ATOM 205 C2' U A 7 13.397 1.073 0.276 1.00 10.00 C ATOM 206 O2' U A 7 13.232 1.784 1.486 1.00 10.00 O ATOM 207 C1' U A 7 14.448 1.780 -0.572 1.00 10.00 C ATOM 208 N1 U A 7 13.897 2.811 -1.467 1.00 10.00 N ATOM 209 C2 U A 7 14.206 4.139 -1.212 1.00 10.00 C ATOM 210 O2 U A 7 14.915 4.498 -0.288 1.00 10.00 O ATOM 211 N3 U A 7 13.658 5.041 -2.091 1.00 10.00 N ATOM 212 C4 U A 7 12.857 4.764 -3.176 1.00 10.00 C ATOM 213 O4 U A 7 12.438 5.690 -3.874 1.00 10.00 O ATOM 214 C5 U A 7 12.587 3.374 -3.373 1.00 10.00 C ATOM 215 C6 U A 7 13.097 2.465 -2.534 1.00 10.00 C ATOM 0 H5' U A 7 15.239 -1.620 -2.491 1.00 10.00 H new ATOM 0 H5'' U A 7 14.412 -2.494 -1.217 1.00 10.00 H new ATOM 0 H4' U A 7 15.918 -0.870 -0.303 1.00 10.00 H new ATOM 0 H3' U A 7 13.306 -1.091 0.590 1.00 10.00 H new ATOM 0 H2' U A 7 12.407 1.000 -0.175 1.00 10.00 H new ATOM 0 HO2' U A 7 12.406 1.494 1.926 1.00 10.00 H new ATOM 0 H1' U A 7 15.136 2.293 0.100 1.00 10.00 H new ATOM 0 H3 U A 7 13.868 6.025 -1.921 1.00 10.00 H new ATOM 0 H5 U A 7 11.970 3.057 -4.201 1.00 10.00 H new ATOM 0 H6 U A 7 12.873 1.421 -2.699 1.00 10.00 H new ATOM 226 P C A 8 15.084 -1.689 2.488 1.00 10.00 P ATOM 227 OP1 C A 8 15.864 -1.371 3.709 1.00 10.00 O ATOM 228 OP2 C A 8 15.662 -2.621 1.491 1.00 10.00 O ATOM 229 O5' C A 8 13.661 -2.261 2.925 1.00 10.00 O ATOM 230 C5' C A 8 13.086 -1.958 4.196 1.00 10.00 C ATOM 231 C4' C A 8 11.912 -2.876 4.477 1.00 10.00 C ATOM 232 O4' C A 8 11.078 -2.950 3.286 1.00 10.00 O ATOM 233 C3' C A 8 12.260 -4.325 4.811 1.00 10.00 C ATOM 234 O3' C A 8 11.348 -4.870 5.762 1.00 10.00 O ATOM 235 C2' C A 8 12.116 -5.034 3.471 1.00 10.00 C ATOM 236 O2' C A 8 11.823 -6.409 3.623 1.00 10.00 O ATOM 237 C1' C A 8 10.885 -4.305 2.938 1.00 10.00 C ATOM 238 N1 C A 8 10.741 -4.394 1.480 1.00 10.00 N ATOM 239 C2 C A 8 9.730 -5.187 0.926 1.00 10.00 C ATOM 240 O2 C A 8 8.956 -5.803 1.675 1.00 10.00 O ATOM 241 N3 C A 8 9.625 -5.265 -0.421 1.00 10.00 N ATOM 242 C4 C A 8 10.480 -4.594 -1.195 1.00 10.00 C ATOM 243 N4 C A 8 10.344 -4.671 -2.512 1.00 10.00 N ATOM 244 C5 C A 8 11.511 -3.789 -0.656 1.00 10.00 C ATOM 245 C6 C A 8 11.604 -3.715 0.671 1.00 10.00 C ATOM 0 H5' C A 8 12.756 -0.919 4.215 1.00 10.00 H new ATOM 0 H5'' C A 8 13.837 -2.068 4.978 1.00 10.00 H new ATOM 0 H4' C A 8 11.433 -2.436 5.352 1.00 10.00 H new ATOM 0 H3' C A 8 13.250 -4.429 5.255 1.00 10.00 H new ATOM 0 H2' C A 8 13.011 -5.005 2.849 1.00 10.00 H new ATOM 0 HO2' C A 8 11.437 -6.565 4.510 1.00 10.00 H new ATOM 0 H1' C A 8 9.986 -4.753 3.361 1.00 10.00 H new ATOM 0 H41 C A 8 10.987 -4.166 -3.122 1.00 10.00 H new ATOM 0 H42 C A 8 9.596 -5.236 -2.915 1.00 10.00 H new ATOM 0 H5 C A 8 12.197 -3.254 -1.296 1.00 10.00 H new ATOM 0 H6 C A 8 12.378 -3.106 1.115 1.00 10.00 H new ATOM 257 P G A 9 11.694 -4.889 7.329 1.00 10.00 P ATOM 258 OP1 G A 9 13.145 -5.150 7.496 1.00 10.00 O ATOM 259 OP2 G A 9 10.724 -5.805 7.975 1.00 10.00 O ATOM 260 O5' G A 9 11.385 -3.409 7.825 1.00 10.00 O ATOM 261 C5' G A 9 10.055 -2.893 7.817 1.00 10.00 C ATOM 262 C4' G A 9 10.090 -1.394 7.999 1.00 10.00 C ATOM 263 O4' G A 9 11.026 -0.821 7.055 1.00 10.00 O ATOM 264 C3' G A 9 8.799 -0.645 7.715 1.00 10.00 C ATOM 265 O3' G A 9 7.914 -0.698 8.824 1.00 10.00 O ATOM 266 C2' G A 9 9.305 0.774 7.481 1.00 10.00 C ATOM 267 O2' G A 9 9.504 1.455 8.706 1.00 10.00 O ATOM 268 C1' G A 9 10.650 0.517 6.808 1.00 10.00 C ATOM 269 N9 G A 9 10.635 0.745 5.365 1.00 10.00 N ATOM 270 C8 G A 9 11.361 1.704 4.718 1.00 10.00 C ATOM 271 N7 G A 9 11.182 1.705 3.426 1.00 10.00 N ATOM 272 C5 G A 9 10.277 0.678 3.205 1.00 10.00 C ATOM 273 C6 G A 9 9.708 0.203 1.994 1.00 10.00 C ATOM 274 O6 G A 9 9.897 0.612 0.837 1.00 10.00 O ATOM 275 N1 G A 9 8.838 -0.862 2.206 1.00 10.00 N ATOM 276 C2 G A 9 8.545 -1.390 3.442 1.00 10.00 C ATOM 277 N2 G A 9 7.648 -2.390 3.469 1.00 10.00 N ATOM 278 N3 G A 9 9.071 -0.955 4.579 1.00 10.00 N ATOM 279 C4 G A 9 9.924 0.072 4.392 1.00 10.00 C ATOM 0 H5' G A 9 9.471 -3.352 8.615 1.00 10.00 H new ATOM 0 H5'' G A 9 9.563 -3.144 6.877 1.00 10.00 H new ATOM 0 H4' G A 9 10.339 -1.280 9.054 1.00 10.00 H new ATOM 0 H3' G A 9 8.228 -1.055 6.882 1.00 10.00 H new ATOM 0 H2' G A 9 8.616 1.391 6.904 1.00 10.00 H new ATOM 0 HO2' G A 9 8.918 1.072 9.392 1.00 10.00 H new ATOM 0 H1' G A 9 11.362 1.226 7.231 1.00 10.00 H new ATOM 0 H8 G A 9 12.019 2.394 5.226 1.00 10.00 H new ATOM 0 H1 G A 9 8.388 -1.279 1.391 1.00 10.00 H new ATOM 0 H21 G A 9 7.391 -2.821 4.357 1.00 10.00 H new ATOM 0 H22 G A 9 7.224 -2.718 2.601 1.00 10.00 H new ATOM 291 P G A 10 6.330 -0.581 8.591 1.00 10.00 P ATOM 292 OP1 G A 10 5.748 0.025 9.809 1.00 10.00 O ATOM 293 OP2 G A 10 5.863 -1.916 8.150 1.00 10.00 O ATOM 294 O5' G A 10 6.167 0.449 7.385 1.00 10.00 O ATOM 295 C5' G A 10 6.098 1.854 7.624 1.00 10.00 C ATOM 296 C4' G A 10 6.312 2.677 6.370 1.00 10.00 C ATOM 297 O4' G A 10 6.915 1.846 5.344 1.00 10.00 O ATOM 298 C3' G A 10 5.070 3.239 5.691 1.00 10.00 C ATOM 299 O3' G A 10 4.714 4.481 6.289 1.00 10.00 O ATOM 300 C2' G A 10 5.564 3.439 4.266 1.00 10.00 C ATOM 301 O2' G A 10 6.446 4.540 4.199 1.00 10.00 O ATOM 302 C1' G A 10 6.346 2.144 4.081 1.00 10.00 C ATOM 303 N9 G A 10 5.510 1.013 3.694 1.00 10.00 N ATOM 304 C8 G A 10 4.932 0.108 4.541 1.00 10.00 C ATOM 305 N7 G A 10 4.251 -0.819 3.922 1.00 10.00 N ATOM 306 C5 G A 10 4.379 -0.493 2.579 1.00 10.00 C ATOM 307 C6 G A 10 3.859 -1.130 1.422 1.00 10.00 C ATOM 308 O6 G A 10 3.164 -2.155 1.354 1.00 10.00 O ATOM 309 N1 G A 10 4.225 -0.474 0.252 1.00 10.00 N ATOM 310 C2 G A 10 5.002 0.660 0.208 1.00 10.00 C ATOM 311 N2 G A 10 5.251 1.167 -1.010 1.00 10.00 N ATOM 312 N3 G A 10 5.497 1.268 1.277 1.00 10.00 N ATOM 313 C4 G A 10 5.150 0.640 2.421 1.00 10.00 C ATOM 0 H5' G A 10 6.849 2.129 8.365 1.00 10.00 H new ATOM 0 H5'' G A 10 5.125 2.097 8.051 1.00 10.00 H new ATOM 0 H4' G A 10 6.915 3.509 6.732 1.00 10.00 H new ATOM 0 H3' G A 10 4.184 2.607 5.761 1.00 10.00 H new ATOM 0 H2' G A 10 4.784 3.632 3.529 1.00 10.00 H new ATOM 0 HO2' G A 10 6.314 5.113 4.983 1.00 10.00 H new ATOM 0 H1' G A 10 7.076 2.289 3.284 1.00 10.00 H new ATOM 0 H8 G A 10 5.029 0.155 5.616 1.00 10.00 H new ATOM 0 H1 G A 10 3.895 -0.860 -0.633 1.00 10.00 H new ATOM 0 H21 G A 10 5.821 2.007 -1.106 1.00 10.00 H new ATOM 0 H22 G A 10 4.870 0.712 -1.839 1.00 10.00 H new ATOM 325 P U A 11 3.257 5.112 6.067 1.00 10.00 P ATOM 326 OP1 U A 11 3.236 6.432 6.743 1.00 10.00 O ATOM 327 OP2 U A 11 2.268 4.076 6.449 1.00 10.00 O ATOM 328 O5' U A 11 3.162 5.337 4.493 1.00 10.00 O ATOM 329 C5' U A 11 3.541 6.569 3.889 1.00 10.00 C ATOM 330 C4' U A 11 3.187 6.565 2.418 1.00 10.00 C ATOM 331 O4' U A 11 3.478 5.262 1.854 1.00 10.00 O ATOM 332 C3' U A 11 1.716 6.796 2.103 1.00 10.00 C ATOM 333 O3' U A 11 1.437 8.191 2.019 1.00 10.00 O ATOM 334 C2' U A 11 1.534 6.102 0.757 1.00 10.00 C ATOM 335 O2' U A 11 1.864 6.967 -0.314 1.00 10.00 O ATOM 336 C1' U A 11 2.551 4.960 0.830 1.00 10.00 C ATOM 337 N1 U A 11 1.946 3.649 1.122 1.00 10.00 N ATOM 338 C2 U A 11 1.467 2.906 0.055 1.00 10.00 C ATOM 339 O2 U A 11 1.502 3.300 -1.098 1.00 10.00 O ATOM 340 N3 U A 11 0.934 1.686 0.393 1.00 10.00 N ATOM 341 C4 U A 11 0.840 1.143 1.657 1.00 10.00 C ATOM 342 O4 U A 11 0.313 0.039 1.815 1.00 10.00 O ATOM 343 C5 U A 11 1.358 1.968 2.697 1.00 10.00 C ATOM 344 C6 U A 11 1.876 3.161 2.411 1.00 10.00 C ATOM 0 H5' U A 11 4.612 6.727 4.011 1.00 10.00 H new ATOM 0 H5'' U A 11 3.038 7.397 4.389 1.00 10.00 H new ATOM 0 H4' U A 11 3.773 7.385 2.004 1.00 10.00 H new ATOM 0 H3' U A 11 1.040 6.410 2.866 1.00 10.00 H new ATOM 0 H2' U A 11 0.508 5.779 0.582 1.00 10.00 H new ATOM 0 HO2' U A 11 1.767 7.898 -0.024 1.00 10.00 H new ATOM 0 H1' U A 11 3.021 4.882 -0.150 1.00 10.00 H new ATOM 0 H3 U A 11 0.568 1.121 -0.373 1.00 10.00 H new ATOM 0 H5 U A 11 1.330 1.625 3.721 1.00 10.00 H new ATOM 0 H6 U A 11 2.256 3.770 3.218 1.00 10.00 H new ATOM 355 P G A 12 -0.061 8.725 2.234 1.00 10.00 P ATOM 356 OP1 G A 12 -0.046 10.201 2.074 1.00 10.00 O ATOM 357 OP2 G A 12 -0.571 8.140 3.498 1.00 10.00 O ATOM 358 O5' G A 12 -0.880 8.103 1.021 1.00 10.00 O ATOM 359 C5' G A 12 -1.312 8.927 -0.059 1.00 10.00 C ATOM 360 C4' G A 12 -1.884 8.094 -1.177 1.00 10.00 C ATOM 361 O4' G A 12 -1.288 6.767 -1.162 1.00 10.00 O ATOM 362 C3' G A 12 -3.378 7.827 -1.085 1.00 10.00 C ATOM 363 O3' G A 12 -4.145 8.914 -1.591 1.00 10.00 O ATOM 364 C2' G A 12 -3.522 6.593 -1.964 1.00 10.00 C ATOM 365 O2' G A 12 -3.501 6.930 -3.338 1.00 10.00 O ATOM 366 C1' G A 12 -2.254 5.823 -1.593 1.00 10.00 C ATOM 367 N9 G A 12 -2.493 4.849 -0.534 1.00 10.00 N ATOM 368 C8 G A 12 -2.341 5.020 0.821 1.00 10.00 C ATOM 369 N7 G A 12 -2.693 3.968 1.511 1.00 10.00 N ATOM 370 C5 G A 12 -3.106 3.050 0.554 1.00 10.00 C ATOM 371 C6 G A 12 -3.609 1.722 0.692 1.00 10.00 C ATOM 372 O6 G A 12 -3.805 1.075 1.731 1.00 10.00 O ATOM 373 N1 G A 12 -3.906 1.149 -0.542 1.00 10.00 N ATOM 374 C2 G A 12 -3.745 1.784 -1.753 1.00 10.00 C ATOM 375 N2 G A 12 -4.090 1.094 -2.846 1.00 10.00 N ATOM 376 N3 G A 12 -3.282 3.011 -1.894 1.00 10.00 N ATOM 377 C4 G A 12 -2.988 3.581 -0.711 1.00 10.00 C ATOM 0 H5' G A 12 -0.473 9.515 -0.431 1.00 10.00 H new ATOM 0 H5'' G A 12 -2.064 9.633 0.295 1.00 10.00 H new ATOM 0 H4' G A 12 -1.672 8.682 -2.070 1.00 10.00 H new ATOM 0 H3' G A 12 -3.737 7.695 -0.064 1.00 10.00 H new ATOM 0 H2' G A 12 -4.455 6.051 -1.814 1.00 10.00 H new ATOM 0 HO2' G A 12 -3.843 7.841 -3.457 1.00 10.00 H new ATOM 0 H1' G A 12 -1.909 5.268 -2.465 1.00 10.00 H new ATOM 0 H8 G A 12 -1.969 5.930 1.269 1.00 10.00 H new ATOM 0 H1 G A 12 -4.267 0.195 -0.549 1.00 10.00 H new ATOM 0 H21 G A 12 -3.991 1.517 -3.769 1.00 10.00 H new ATOM 0 H22 G A 12 -4.452 0.145 -2.757 1.00 10.00 H new ATOM 389 P C A 13 -5.623 9.178 -1.024 1.00 10.00 P ATOM 390 OP1 C A 13 -6.168 10.376 -1.710 1.00 10.00 O ATOM 391 OP2 C A 13 -5.554 9.161 0.456 1.00 10.00 O ATOM 392 O5' C A 13 -6.457 7.904 -1.491 1.00 10.00 O ATOM 393 C5' C A 13 -6.965 7.805 -2.815 1.00 10.00 C ATOM 394 C4' C A 13 -7.519 6.420 -3.071 1.00 10.00 C ATOM 395 O4' C A 13 -6.765 5.443 -2.313 1.00 10.00 O ATOM 396 C3' C A 13 -8.951 6.174 -2.621 1.00 10.00 C ATOM 397 O3' C A 13 -9.878 6.678 -3.580 1.00 10.00 O ATOM 398 C2' C A 13 -9.008 4.652 -2.526 1.00 10.00 C ATOM 399 O2' C A 13 -9.307 4.068 -3.777 1.00 10.00 O ATOM 400 C1' C A 13 -7.571 4.292 -2.133 1.00 10.00 C ATOM 401 N1 C A 13 -7.446 3.820 -0.743 1.00 10.00 N ATOM 402 C2 C A 13 -7.738 2.480 -0.465 1.00 10.00 C ATOM 403 O2 C A 13 -8.102 1.741 -1.389 1.00 10.00 O ATOM 404 N3 C A 13 -7.618 2.020 0.802 1.00 10.00 N ATOM 405 C4 C A 13 -7.221 2.837 1.779 1.00 10.00 C ATOM 406 N4 C A 13 -7.130 2.327 3.012 1.00 10.00 N ATOM 407 C5 C A 13 -6.914 4.211 1.528 1.00 10.00 C ATOM 408 C6 C A 13 -7.042 4.654 0.263 1.00 10.00 C ATOM 0 H5' C A 13 -6.173 8.024 -3.531 1.00 10.00 H new ATOM 0 H5'' C A 13 -7.747 8.549 -2.967 1.00 10.00 H new ATOM 0 H4' C A 13 -7.459 6.334 -4.156 1.00 10.00 H new ATOM 0 H3' C A 13 -9.213 6.671 -1.687 1.00 10.00 H new ATOM 0 H2' C A 13 -9.773 4.302 -1.833 1.00 10.00 H new ATOM 0 HO2' C A 13 -10.183 3.630 -3.733 1.00 10.00 H new ATOM 0 H1' C A 13 -7.249 3.467 -2.768 1.00 10.00 H new ATOM 0 H41 C A 13 -6.830 2.918 3.787 1.00 10.00 H new ATOM 0 H42 C A 13 -7.360 1.347 3.177 1.00 10.00 H new ATOM 0 H5 C A 13 -6.592 4.868 2.322 1.00 10.00 H new ATOM 0 H6 C A 13 -6.822 5.687 0.038 1.00 10.00 H new ATOM 420 P C A 14 -11.412 6.918 -3.174 1.00 10.00 P ATOM 421 OP1 C A 14 -12.047 7.737 -4.232 1.00 10.00 O ATOM 422 OP2 C A 14 -11.437 7.408 -1.774 1.00 10.00 O ATOM 423 O5' C A 14 -12.064 5.468 -3.211 1.00 10.00 O ATOM 424 C5' C A 14 -12.603 4.945 -4.421 1.00 10.00 C ATOM 425 C4' C A 14 -13.036 3.513 -4.209 1.00 10.00 C ATOM 426 O4' C A 14 -12.065 2.847 -3.362 1.00 10.00 O ATOM 427 C3' C A 14 -14.358 3.331 -3.476 1.00 10.00 C ATOM 428 O3' C A 14 -15.461 3.309 -4.383 1.00 10.00 O ATOM 429 C2' C A 14 -14.216 1.976 -2.793 1.00 10.00 C ATOM 430 O2' C A 14 -14.718 0.951 -3.629 1.00 10.00 O ATOM 431 C1' C A 14 -12.701 1.824 -2.617 1.00 10.00 C ATOM 432 N1 C A 14 -12.269 1.923 -1.213 1.00 10.00 N ATOM 433 C2 C A 14 -12.190 0.759 -0.442 1.00 10.00 C ATOM 434 O2 C A 14 -12.500 -0.326 -0.952 1.00 10.00 O ATOM 435 N3 C A 14 -11.794 0.843 0.848 1.00 10.00 N ATOM 436 C4 C A 14 -11.483 2.027 1.380 1.00 10.00 C ATOM 437 N4 C A 14 -11.112 2.056 2.663 1.00 10.00 N ATOM 438 C5 C A 14 -11.553 3.229 0.619 1.00 10.00 C ATOM 439 C6 C A 14 -11.948 3.131 -0.657 1.00 10.00 C ATOM 0 H5' C A 14 -11.857 4.996 -5.214 1.00 10.00 H new ATOM 0 H5'' C A 14 -13.452 5.548 -4.743 1.00 10.00 H new ATOM 0 H4' C A 14 -13.132 3.111 -5.218 1.00 10.00 H new ATOM 0 H3' C A 14 -14.555 4.147 -2.781 1.00 10.00 H new ATOM 0 H2' C A 14 -14.765 1.910 -1.854 1.00 10.00 H new ATOM 0 HO2' C A 14 -15.324 1.339 -4.294 1.00 10.00 H new ATOM 0 HO3' C A 14 -16.294 3.189 -3.882 1.00 10.00 H new ATOM 0 H1' C A 14 -12.426 0.829 -2.967 1.00 10.00 H new ATOM 0 H41 C A 14 -10.867 2.943 3.103 1.00 10.00 H new ATOM 0 H42 C A 14 -11.074 1.191 3.202 1.00 10.00 H new ATOM 0 H5 C A 14 -11.297 4.184 1.055 1.00 10.00 H new ATOM 0 H6 C A 14 -12.015 4.025 -1.260 1.00 10.00 H new TER 452 C A 14