USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 174 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 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot -14:sc= 0.00387 USER MOD Single : A 3 G O2' : rot -18:sc= 0.0103 USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 5 A O2' : rot -23:sc= 0.0569 USER MOD Single : A 6 C O2' : rot -16:sc= 0.0622 USER MOD Single : A 7 A O2' : rot 26:sc= 0.032 USER MOD Single : A 8 U O2' : rot 27:sc= 0.0637 USER MOD Single : A 9 A O2' : rot 50:sc= 0.543 USER MOD Single : A 10 G O2' : rot 140:sc= 0.236 USER MOD Single : A 11 A O2' : rot -19:sc= 0.0348 USER MOD Single : A 12 U O2' : rot -19:sc= 0.0251 USER MOD Single : A 13 C O2' : rot -17:sc= 0.018 USER MOD Single : A 14 U O2' : rot -122:sc= 0.0106 USER MOD Single : A 15 U O2' : rot 180:sc= 0 USER MOD Single : A 16 C O2' : rot -19:sc= 0.0148 USER MOD Single : A 16 C O3' : rot 180:sc= 0.0195 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -12.863 -3.973 8.859 1.00 0.00 O ATOM 2 C5' G A 1 -11.553 -3.457 8.744 1.00 0.00 C ATOM 3 C4' G A 1 -10.569 -4.252 9.616 1.00 0.00 C ATOM 4 O4' G A 1 -10.459 -5.609 9.194 1.00 0.00 O ATOM 5 C3' G A 1 -9.145 -3.683 9.560 1.00 0.00 C ATOM 6 O3' G A 1 -8.972 -2.557 10.414 1.00 0.00 O ATOM 7 C2' G A 1 -8.326 -4.917 9.949 1.00 0.00 C ATOM 8 O2' G A 1 -8.323 -5.183 11.343 1.00 0.00 O ATOM 9 C1' G A 1 -9.093 -6.017 9.210 1.00 0.00 C ATOM 10 N9 G A 1 -8.583 -6.224 7.823 1.00 0.00 N ATOM 11 C8 G A 1 -9.125 -5.809 6.628 1.00 0.00 C ATOM 12 N7 G A 1 -8.447 -6.165 5.573 1.00 0.00 N ATOM 13 C5 G A 1 -7.371 -6.877 6.088 1.00 0.00 C ATOM 14 C6 G A 1 -6.276 -7.520 5.406 1.00 0.00 C ATOM 15 O6 G A 1 -6.069 -7.569 4.196 1.00 0.00 O ATOM 16 N1 G A 1 -5.374 -8.144 6.281 1.00 0.00 N ATOM 17 C2 G A 1 -5.516 -8.144 7.668 1.00 0.00 C ATOM 18 N2 G A 1 -4.567 -8.780 8.367 1.00 0.00 N ATOM 19 N3 G A 1 -6.547 -7.537 8.307 1.00 0.00 N ATOM 20 C4 G A 1 -7.445 -6.920 7.469 1.00 0.00 C ATOM 0 H5' G A 1 -11.544 -2.409 9.043 1.00 0.00 H new ATOM 0 H5'' G A 1 -11.234 -3.495 7.702 1.00 0.00 H new ATOM 0 H4' G A 1 -10.977 -4.181 10.624 1.00 0.00 H new ATOM 0 H3' G A 1 -8.851 -3.266 8.597 1.00 0.00 H new ATOM 0 H2' G A 1 -7.270 -4.815 9.698 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.785 -5.982 11.522 1.00 0.00 H new ATOM 0 HO5' G A 1 -13.471 -3.450 8.296 1.00 0.00 H new ATOM 0 H1' G A 1 -8.965 -6.974 9.716 1.00 0.00 H new ATOM 0 H8 G A 1 -10.038 -5.235 6.569 1.00 0.00 H new ATOM 0 H1 G A 1 -4.569 -8.625 5.880 1.00 0.00 H new ATOM 0 H21 G A 1 -4.619 -8.813 9.385 1.00 0.00 H new ATOM 0 H22 G A 1 -3.792 -9.232 7.881 1.00 0.00 H new ATOM 33 P A A 2 -7.811 -1.448 10.171 1.00 0.00 P ATOM 34 OP1 A A 2 -7.932 -0.422 11.234 1.00 0.00 O ATOM 35 OP2 A A 2 -7.853 -1.027 8.752 1.00 0.00 O ATOM 36 O5' A A 2 -6.434 -2.268 10.399 1.00 0.00 O ATOM 37 C5' A A 2 -6.005 -2.703 11.681 1.00 0.00 C ATOM 38 C4' A A 2 -4.761 -3.599 11.582 1.00 0.00 C ATOM 39 O4' A A 2 -4.994 -4.774 10.814 1.00 0.00 O ATOM 40 C3' A A 2 -3.557 -2.919 10.922 1.00 0.00 C ATOM 41 O3' A A 2 -2.921 -1.990 11.792 1.00 0.00 O ATOM 42 C2' A A 2 -2.720 -4.143 10.540 1.00 0.00 C ATOM 43 O2' A A 2 -2.000 -4.700 11.628 1.00 0.00 O ATOM 44 C1' A A 2 -3.821 -5.109 10.075 1.00 0.00 C ATOM 45 N9 A A 2 -4.064 -5.004 8.606 1.00 0.00 N ATOM 46 C8 A A 2 -5.102 -4.398 7.933 1.00 0.00 C ATOM 47 N7 A A 2 -5.035 -4.486 6.635 1.00 0.00 N ATOM 48 C5 A A 2 -3.869 -5.209 6.409 1.00 0.00 C ATOM 49 C6 A A 2 -3.213 -5.661 5.225 1.00 0.00 C ATOM 50 N6 A A 2 -3.683 -5.420 3.992 1.00 0.00 N ATOM 51 N1 A A 2 -2.057 -6.364 5.349 1.00 0.00 N ATOM 52 C2 A A 2 -1.575 -6.608 6.577 1.00 0.00 C ATOM 53 N3 A A 2 -2.098 -6.244 7.758 1.00 0.00 N ATOM 54 C4 A A 2 -3.266 -5.533 7.612 1.00 0.00 C ATOM 0 H5' A A 2 -6.811 -3.250 12.170 1.00 0.00 H new ATOM 0 H5'' A A 2 -5.783 -1.837 12.305 1.00 0.00 H new ATOM 0 H4' A A 2 -4.545 -3.831 12.625 1.00 0.00 H new ATOM 0 H3' A A 2 -3.781 -2.282 10.066 1.00 0.00 H new ATOM 0 H2' A A 2 -1.945 -3.915 9.808 1.00 0.00 H new ATOM 0 HO2' A A 2 -1.992 -4.065 12.374 1.00 0.00 H new ATOM 0 H1' A A 2 -3.524 -6.142 10.256 1.00 0.00 H new ATOM 0 H8 A A 2 -5.908 -3.890 8.441 1.00 0.00 H new ATOM 0 H61 A A 2 -3.176 -5.765 3.177 1.00 0.00 H new ATOM 0 H62 A A 2 -4.547 -4.892 3.870 1.00 0.00 H new ATOM 0 H2 A A 2 -0.652 -7.167 6.620 1.00 0.00 H new ATOM 66 P G A 3 -2.083 -0.714 11.241 1.00 0.00 P ATOM 67 OP1 G A 3 -1.643 0.083 12.410 1.00 0.00 O ATOM 68 OP2 G A 3 -2.868 -0.057 10.171 1.00 0.00 O ATOM 69 O5' G A 3 -0.783 -1.392 10.556 1.00 0.00 O ATOM 70 C5' G A 3 0.243 -2.006 11.321 1.00 0.00 C ATOM 71 C4' G A 3 1.282 -2.689 10.421 1.00 0.00 C ATOM 72 O4' G A 3 0.710 -3.736 9.648 1.00 0.00 O ATOM 73 C3' G A 3 1.943 -1.754 9.402 1.00 0.00 C ATOM 74 O3' G A 3 2.905 -0.888 9.996 1.00 0.00 O ATOM 75 C2' G A 3 2.509 -2.781 8.419 1.00 0.00 C ATOM 76 O2' G A 3 3.712 -3.389 8.859 1.00 0.00 O ATOM 77 C1' G A 3 1.367 -3.810 8.385 1.00 0.00 C ATOM 78 N9 G A 3 0.414 -3.543 7.268 1.00 0.00 N ATOM 79 C8 G A 3 -0.863 -3.032 7.309 1.00 0.00 C ATOM 80 N7 G A 3 -1.442 -2.926 6.147 1.00 0.00 N ATOM 81 C5 G A 3 -0.493 -3.405 5.252 1.00 0.00 C ATOM 82 C6 G A 3 -0.554 -3.537 3.819 1.00 0.00 C ATOM 83 O6 G A 3 -1.489 -3.248 3.077 1.00 0.00 O ATOM 84 N1 G A 3 0.626 -4.058 3.264 1.00 0.00 N ATOM 85 C2 G A 3 1.743 -4.412 4.019 1.00 0.00 C ATOM 86 N2 G A 3 2.797 -4.895 3.347 1.00 0.00 N ATOM 87 N3 G A 3 1.794 -4.295 5.367 1.00 0.00 N ATOM 88 C4 G A 3 0.650 -3.785 5.933 1.00 0.00 C ATOM 0 H5' G A 3 -0.195 -2.741 11.996 1.00 0.00 H new ATOM 0 H5'' G A 3 0.734 -1.256 11.942 1.00 0.00 H new ATOM 0 H4' G A 3 2.023 -3.053 11.133 1.00 0.00 H new ATOM 0 H3' G A 3 1.281 -1.029 8.928 1.00 0.00 H new ATOM 0 H2' G A 3 2.781 -2.341 7.460 1.00 0.00 H new ATOM 0 HO2' G A 3 4.116 -2.842 9.564 1.00 0.00 H new ATOM 0 H1' G A 3 1.763 -4.810 8.208 1.00 0.00 H new ATOM 0 H8 G A 3 -1.346 -2.742 8.230 1.00 0.00 H new ATOM 0 H1 G A 3 0.668 -4.184 2.253 1.00 0.00 H new ATOM 0 H21 G A 3 3.641 -5.170 3.850 1.00 0.00 H new ATOM 0 H22 G A 3 2.756 -4.988 2.332 1.00 0.00 H new ATOM 100 P G A 4 3.276 0.563 9.368 1.00 0.00 P ATOM 101 OP1 G A 4 4.256 1.211 10.268 1.00 0.00 O ATOM 102 OP2 G A 4 2.017 1.270 9.038 1.00 0.00 O ATOM 103 O5' G A 4 4.014 0.198 7.974 1.00 0.00 O ATOM 104 C5' G A 4 5.312 -0.378 7.929 1.00 0.00 C ATOM 105 C4' G A 4 5.683 -0.817 6.506 1.00 0.00 C ATOM 106 O4' G A 4 4.775 -1.791 6.007 1.00 0.00 O ATOM 107 C3' G A 4 5.676 0.312 5.468 1.00 0.00 C ATOM 108 O3' G A 4 6.820 1.155 5.545 1.00 0.00 O ATOM 109 C2' G A 4 5.572 -0.505 4.177 1.00 0.00 C ATOM 110 O2' G A 4 6.801 -1.086 3.765 1.00 0.00 O ATOM 111 C1' G A 4 4.590 -1.602 4.607 1.00 0.00 C ATOM 112 N9 G A 4 3.182 -1.232 4.283 1.00 0.00 N ATOM 113 C8 G A 4 2.151 -0.864 5.116 1.00 0.00 C ATOM 114 N7 G A 4 1.028 -0.609 4.505 1.00 0.00 N ATOM 115 C5 G A 4 1.316 -0.824 3.163 1.00 0.00 C ATOM 116 C6 G A 4 0.472 -0.708 2.001 1.00 0.00 C ATOM 117 O6 G A 4 -0.713 -0.386 1.958 1.00 0.00 O ATOM 118 N1 G A 4 1.145 -1.008 0.804 1.00 0.00 N ATOM 119 C2 G A 4 2.487 -1.379 0.742 1.00 0.00 C ATOM 120 N2 G A 4 2.989 -1.624 -0.475 1.00 0.00 N ATOM 121 N3 G A 4 3.273 -1.498 1.837 1.00 0.00 N ATOM 122 C4 G A 4 2.638 -1.207 3.018 1.00 0.00 C ATOM 0 H5' G A 4 5.353 -1.237 8.598 1.00 0.00 H new ATOM 0 H5'' G A 4 6.044 0.344 8.291 1.00 0.00 H new ATOM 0 H4' G A 4 6.696 -1.203 6.621 1.00 0.00 H new ATOM 0 H3' G A 4 4.877 1.043 5.589 1.00 0.00 H new ATOM 0 H2' G A 4 5.272 0.101 3.322 1.00 0.00 H new ATOM 0 HO2' G A 4 6.662 -1.593 2.938 1.00 0.00 H new ATOM 0 H1' G A 4 4.784 -2.528 4.066 1.00 0.00 H new ATOM 0 H8 G A 4 2.263 -0.792 6.188 1.00 0.00 H new ATOM 0 H1 G A 4 0.621 -0.951 -0.069 1.00 0.00 H new ATOM 0 H21 G A 4 3.966 -1.899 -0.578 1.00 0.00 H new ATOM 0 H22 G A 4 2.395 -1.535 -1.299 1.00 0.00 H new ATOM 134 P A A 5 6.805 2.689 5.010 1.00 0.00 P ATOM 135 OP1 A A 5 8.129 3.286 5.298 1.00 0.00 O ATOM 136 OP2 A A 5 5.586 3.349 5.531 1.00 0.00 O ATOM 137 O5' A A 5 6.642 2.552 3.402 1.00 0.00 O ATOM 138 C5' A A 5 7.670 2.029 2.571 1.00 0.00 C ATOM 139 C4' A A 5 7.173 1.817 1.131 1.00 0.00 C ATOM 140 O4' A A 5 6.019 0.992 1.101 1.00 0.00 O ATOM 141 C3' A A 5 6.790 3.115 0.414 1.00 0.00 C ATOM 142 O3' A A 5 7.944 3.766 -0.117 1.00 0.00 O ATOM 143 C2' A A 5 5.810 2.603 -0.644 1.00 0.00 C ATOM 144 O2' A A 5 6.442 2.157 -1.833 1.00 0.00 O ATOM 145 C1' A A 5 5.140 1.415 0.066 1.00 0.00 C ATOM 146 N9 A A 5 3.800 1.769 0.619 1.00 0.00 N ATOM 147 C8 A A 5 3.401 1.891 1.931 1.00 0.00 C ATOM 148 N7 A A 5 2.141 2.180 2.090 1.00 0.00 N ATOM 149 C5 A A 5 1.646 2.253 0.792 1.00 0.00 C ATOM 150 C6 A A 5 0.353 2.521 0.252 1.00 0.00 C ATOM 151 N6 A A 5 -0.717 2.782 1.014 1.00 0.00 N ATOM 152 N1 A A 5 0.196 2.527 -1.098 1.00 0.00 N ATOM 153 C2 A A 5 1.263 2.273 -1.872 1.00 0.00 C ATOM 154 N3 A A 5 2.519 1.999 -1.486 1.00 0.00 N ATOM 155 C4 A A 5 2.657 2.003 -0.118 1.00 0.00 C ATOM 0 H5' A A 5 8.023 1.082 2.979 1.00 0.00 H new ATOM 0 H5'' A A 5 8.520 2.711 2.568 1.00 0.00 H new ATOM 0 H4' A A 5 8.018 1.356 0.621 1.00 0.00 H new ATOM 0 H3' A A 5 6.347 3.885 1.045 1.00 0.00 H new ATOM 0 H2' A A 5 5.131 3.389 -0.973 1.00 0.00 H new ATOM 0 HO2' A A 5 7.322 2.581 -1.915 1.00 0.00 H new ATOM 0 H1' A A 5 4.965 0.613 -0.651 1.00 0.00 H new ATOM 0 H8 A A 5 4.078 1.758 2.762 1.00 0.00 H new ATOM 0 H61 A A 5 -1.620 2.967 0.578 1.00 0.00 H new ATOM 0 H62 A A 5 -0.628 2.795 2.030 1.00 0.00 H new ATOM 0 H2 A A 5 1.089 2.291 -2.938 1.00 0.00 H new ATOM 167 P C A 6 8.124 5.376 -0.120 1.00 0.00 P ATOM 168 OP1 C A 6 9.401 5.689 -0.800 1.00 0.00 O ATOM 169 OP2 C A 6 7.905 5.858 1.262 1.00 0.00 O ATOM 170 O5' C A 6 6.899 5.898 -1.049 1.00 0.00 O ATOM 171 C5' C A 6 6.908 5.750 -2.465 1.00 0.00 C ATOM 172 C4' C A 6 5.528 6.016 -3.088 1.00 0.00 C ATOM 173 O4' C A 6 4.563 5.129 -2.553 1.00 0.00 O ATOM 174 C3' C A 6 4.965 7.420 -2.841 1.00 0.00 C ATOM 175 O3' C A 6 5.536 8.397 -3.707 1.00 0.00 O ATOM 176 C2' C A 6 3.467 7.180 -3.069 1.00 0.00 C ATOM 177 O2' C A 6 3.079 7.293 -4.428 1.00 0.00 O ATOM 178 C1' C A 6 3.274 5.728 -2.591 1.00 0.00 C ATOM 179 N1 C A 6 2.566 5.679 -1.266 1.00 0.00 N ATOM 180 C2 C A 6 1.156 5.816 -1.250 1.00 0.00 C ATOM 181 O2 C A 6 0.508 5.968 -2.286 1.00 0.00 O ATOM 182 N3 C A 6 0.500 5.778 -0.043 1.00 0.00 N ATOM 183 C4 C A 6 1.172 5.615 1.118 1.00 0.00 C ATOM 184 N4 C A 6 0.485 5.575 2.268 1.00 0.00 N ATOM 185 C5 C A 6 2.610 5.470 1.125 1.00 0.00 C ATOM 186 C6 C A 6 3.255 5.509 -0.071 1.00 0.00 C ATOM 0 H5' C A 6 7.231 4.741 -2.721 1.00 0.00 H new ATOM 0 H5'' C A 6 7.637 6.437 -2.895 1.00 0.00 H new ATOM 0 H4' C A 6 5.699 5.884 -4.156 1.00 0.00 H new ATOM 0 H3' C A 6 5.188 7.834 -1.858 1.00 0.00 H new ATOM 0 H2' C A 6 2.862 7.920 -2.545 1.00 0.00 H new ATOM 0 HO2' C A 6 3.781 7.755 -4.931 1.00 0.00 H new ATOM 0 H1' C A 6 2.633 5.170 -3.274 1.00 0.00 H new ATOM 0 H41 C A 6 0.978 5.453 3.153 1.00 0.00 H new ATOM 0 H42 C A 6 -0.531 5.667 2.259 1.00 0.00 H new ATOM 0 H5 C A 6 3.153 5.335 2.049 1.00 0.00 H new ATOM 0 H6 C A 6 4.330 5.405 -0.093 1.00 0.00 H new ATOM 198 P A A 7 6.150 9.803 -3.172 1.00 0.00 P ATOM 199 OP1 A A 7 6.341 10.689 -4.342 1.00 0.00 O ATOM 200 OP2 A A 7 7.306 9.490 -2.300 1.00 0.00 O ATOM 201 O5' A A 7 4.988 10.438 -2.238 1.00 0.00 O ATOM 202 C5' A A 7 3.701 10.777 -2.732 1.00 0.00 C ATOM 203 C4' A A 7 2.678 10.938 -1.592 1.00 0.00 C ATOM 204 O4' A A 7 2.702 9.790 -0.750 1.00 0.00 O ATOM 205 C3' A A 7 2.910 12.165 -0.696 1.00 0.00 C ATOM 206 O3' A A 7 1.645 12.723 -0.355 1.00 0.00 O ATOM 207 C2' A A 7 3.620 11.548 0.510 1.00 0.00 C ATOM 208 O2' A A 7 3.492 12.284 1.712 1.00 0.00 O ATOM 209 C1' A A 7 2.983 10.159 0.592 1.00 0.00 C ATOM 210 N9 A A 7 3.913 9.170 1.203 1.00 0.00 N ATOM 211 C8 A A 7 5.136 8.762 0.724 1.00 0.00 C ATOM 212 N7 A A 7 5.745 7.883 1.463 1.00 0.00 N ATOM 213 C5 A A 7 4.874 7.674 2.522 1.00 0.00 C ATOM 214 C6 A A 7 4.928 6.836 3.675 1.00 0.00 C ATOM 215 N6 A A 7 5.963 6.025 3.939 1.00 0.00 N ATOM 216 N1 A A 7 3.885 6.856 4.547 1.00 0.00 N ATOM 217 C2 A A 7 2.848 7.667 4.289 1.00 0.00 C ATOM 218 N3 A A 7 2.686 8.500 3.249 1.00 0.00 N ATOM 219 C4 A A 7 3.745 8.462 2.376 1.00 0.00 C ATOM 0 H5' A A 7 3.360 10.004 -3.420 1.00 0.00 H new ATOM 0 H5'' A A 7 3.762 11.705 -3.300 1.00 0.00 H new ATOM 0 H4' A A 7 1.718 11.068 -2.093 1.00 0.00 H new ATOM 0 H3' A A 7 3.486 12.976 -1.142 1.00 0.00 H new ATOM 0 H2' A A 7 4.702 11.530 0.382 1.00 0.00 H new ATOM 0 HO2' A A 7 2.669 12.815 1.684 1.00 0.00 H new ATOM 0 H1' A A 7 2.089 10.177 1.216 1.00 0.00 H new ATOM 0 H8 A A 7 5.558 9.142 -0.195 1.00 0.00 H new ATOM 0 H61 A A 7 5.955 5.444 4.778 1.00 0.00 H new ATOM 0 H62 A A 7 6.758 5.989 3.301 1.00 0.00 H new ATOM 0 H2 A A 7 2.043 7.647 5.008 1.00 0.00 H new ATOM 231 P U A 8 1.331 14.304 -0.484 1.00 0.00 P ATOM 232 OP1 U A 8 1.358 14.682 -1.916 1.00 0.00 O ATOM 233 OP2 U A 8 2.181 15.030 0.487 1.00 0.00 O ATOM 234 O5' U A 8 -0.190 14.363 0.048 1.00 0.00 O ATOM 235 C5' U A 8 -1.282 13.805 -0.673 1.00 0.00 C ATOM 236 C4' U A 8 -2.414 13.412 0.288 1.00 0.00 C ATOM 237 O4' U A 8 -1.945 12.359 1.111 1.00 0.00 O ATOM 238 C3' U A 8 -2.896 14.552 1.220 1.00 0.00 C ATOM 239 O3' U A 8 -4.322 14.618 1.319 1.00 0.00 O ATOM 240 C2' U A 8 -2.244 14.155 2.553 1.00 0.00 C ATOM 241 O2' U A 8 -2.899 14.648 3.708 1.00 0.00 O ATOM 242 C1' U A 8 -2.277 12.632 2.456 1.00 0.00 C ATOM 243 N1 U A 8 -1.339 11.946 3.402 1.00 0.00 N ATOM 244 C2 U A 8 -1.873 11.276 4.526 1.00 0.00 C ATOM 245 O2 U A 8 -3.076 11.229 4.785 1.00 0.00 O ATOM 246 N3 U A 8 -0.955 10.638 5.370 1.00 0.00 N ATOM 247 C4 U A 8 0.432 10.614 5.190 1.00 0.00 C ATOM 248 O4 U A 8 1.151 10.028 5.997 1.00 0.00 O ATOM 249 C5 U A 8 0.899 11.325 4.006 1.00 0.00 C ATOM 250 C6 U A 8 0.029 11.952 3.166 1.00 0.00 C ATOM 0 H5' U A 8 -0.949 12.929 -1.230 1.00 0.00 H new ATOM 0 H5'' U A 8 -1.650 14.526 -1.403 1.00 0.00 H new ATOM 0 H4' U A 8 -3.263 13.134 -0.337 1.00 0.00 H new ATOM 0 H3' U A 8 -2.622 15.547 0.868 1.00 0.00 H new ATOM 0 H2' U A 8 -1.250 14.583 2.680 1.00 0.00 H new ATOM 0 HO2' U A 8 -3.849 14.787 3.511 1.00 0.00 H new ATOM 0 H1' U A 8 -3.256 12.248 2.742 1.00 0.00 H new ATOM 0 H3 U A 8 -1.329 10.150 6.184 1.00 0.00 H new ATOM 0 H5 U A 8 1.957 11.355 3.790 1.00 0.00 H new ATOM 0 H6 U A 8 0.412 12.465 2.297 1.00 0.00 H new ATOM 261 P A A 9 -5.285 15.098 0.098 1.00 0.00 P ATOM 262 OP1 A A 9 -4.504 15.945 -0.835 1.00 0.00 O ATOM 263 OP2 A A 9 -6.544 15.613 0.679 1.00 0.00 O ATOM 264 O5' A A 9 -5.598 13.672 -0.595 1.00 0.00 O ATOM 265 C5' A A 9 -5.750 13.501 -1.996 1.00 0.00 C ATOM 266 C4' A A 9 -5.814 12.007 -2.352 1.00 0.00 C ATOM 267 O4' A A 9 -4.655 11.368 -1.837 1.00 0.00 O ATOM 268 C3' A A 9 -7.043 11.277 -1.774 1.00 0.00 C ATOM 269 O3' A A 9 -7.614 10.462 -2.797 1.00 0.00 O ATOM 270 C2' A A 9 -6.430 10.485 -0.611 1.00 0.00 C ATOM 271 O2' A A 9 -7.128 9.318 -0.231 1.00 0.00 O ATOM 272 C1' A A 9 -5.028 10.199 -1.130 1.00 0.00 C ATOM 273 N9 A A 9 -4.013 9.877 -0.101 1.00 0.00 N ATOM 274 C8 A A 9 -4.078 9.789 1.270 1.00 0.00 C ATOM 275 N7 A A 9 -2.959 9.440 1.842 1.00 0.00 N ATOM 276 C5 A A 9 -2.077 9.286 0.779 1.00 0.00 C ATOM 277 C6 A A 9 -0.702 8.933 0.672 1.00 0.00 C ATOM 278 N6 A A 9 0.053 8.664 1.742 1.00 0.00 N ATOM 279 N1 A A 9 -0.136 8.863 -0.566 1.00 0.00 N ATOM 280 C2 A A 9 -0.903 9.138 -1.633 1.00 0.00 C ATOM 281 N3 A A 9 -2.186 9.488 -1.662 1.00 0.00 N ATOM 282 C4 A A 9 -2.726 9.544 -0.409 1.00 0.00 C ATOM 0 H5' A A 9 -4.916 13.970 -2.518 1.00 0.00 H new ATOM 0 H5'' A A 9 -6.658 14.000 -2.333 1.00 0.00 H new ATOM 0 H4' A A 9 -5.882 11.953 -3.439 1.00 0.00 H new ATOM 0 H3' A A 9 -7.862 11.908 -1.430 1.00 0.00 H new ATOM 0 H2' A A 9 -6.461 11.046 0.323 1.00 0.00 H new ATOM 0 HO2' A A 9 -7.308 8.772 -1.024 1.00 0.00 H new ATOM 0 H1' A A 9 -5.059 9.296 -1.739 1.00 0.00 H new ATOM 0 H8 A A 9 -4.981 9.992 1.827 1.00 0.00 H new ATOM 0 H61 A A 9 1.035 8.415 1.624 1.00 0.00 H new ATOM 0 H62 A A 9 -0.353 8.708 2.677 1.00 0.00 H new ATOM 0 H2 A A 9 -0.414 9.066 -2.593 1.00 0.00 H new ATOM 294 P G A 10 -9.211 10.413 -3.096 1.00 0.00 P ATOM 295 OP1 G A 10 -9.414 9.719 -4.388 1.00 0.00 O ATOM 296 OP2 G A 10 -9.777 11.768 -2.907 1.00 0.00 O ATOM 297 O5' G A 10 -9.722 9.483 -1.861 1.00 0.00 O ATOM 298 C5' G A 10 -10.240 8.164 -1.988 1.00 0.00 C ATOM 299 C4' G A 10 -9.287 7.149 -2.652 1.00 0.00 C ATOM 300 O4' G A 10 -8.010 7.205 -2.042 1.00 0.00 O ATOM 301 C3' G A 10 -9.806 5.702 -2.516 1.00 0.00 C ATOM 302 O3' G A 10 -9.869 5.069 -3.790 1.00 0.00 O ATOM 303 C2' G A 10 -8.761 5.069 -1.590 1.00 0.00 C ATOM 304 O2' G A 10 -8.569 3.678 -1.770 1.00 0.00 O ATOM 305 C1' G A 10 -7.514 5.895 -1.905 1.00 0.00 C ATOM 306 N9 G A 10 -6.463 5.870 -0.853 1.00 0.00 N ATOM 307 C8 G A 10 -6.607 5.741 0.508 1.00 0.00 C ATOM 308 N7 G A 10 -5.487 5.759 1.174 1.00 0.00 N ATOM 309 C5 G A 10 -4.514 5.925 0.195 1.00 0.00 C ATOM 310 C6 G A 10 -3.082 6.017 0.321 1.00 0.00 C ATOM 311 O6 G A 10 -2.413 5.964 1.351 1.00 0.00 O ATOM 312 N1 G A 10 -2.430 6.185 -0.912 1.00 0.00 N ATOM 313 C2 G A 10 -3.103 6.266 -2.133 1.00 0.00 C ATOM 314 N2 G A 10 -2.352 6.431 -3.230 1.00 0.00 N ATOM 315 N3 G A 10 -4.450 6.180 -2.246 1.00 0.00 N ATOM 316 C4 G A 10 -5.106 6.007 -1.053 1.00 0.00 C ATOM 0 H5' G A 10 -11.162 8.206 -2.568 1.00 0.00 H new ATOM 0 H5'' G A 10 -10.504 7.797 -0.996 1.00 0.00 H new ATOM 0 H4' G A 10 -9.229 7.416 -3.707 1.00 0.00 H new ATOM 0 H3' G A 10 -10.819 5.619 -2.122 1.00 0.00 H new ATOM 0 H2' G A 10 -9.062 5.102 -0.543 1.00 0.00 H new ATOM 0 HO2' G A 10 -7.614 3.469 -1.707 1.00 0.00 H new ATOM 0 H1' G A 10 -7.016 5.492 -2.786 1.00 0.00 H new ATOM 0 H8 G A 10 -7.569 5.634 0.986 1.00 0.00 H new ATOM 0 H1 G A 10 -1.412 6.251 -0.916 1.00 0.00 H new ATOM 0 H21 G A 10 -2.795 6.496 -4.146 1.00 0.00 H new ATOM 0 H22 G A 10 -1.337 6.492 -3.149 1.00 0.00 H new ATOM 328 P A A 11 -11.083 5.296 -4.845 1.00 0.00 P ATOM 329 OP1 A A 11 -11.783 6.572 -4.565 1.00 0.00 O ATOM 330 OP2 A A 11 -11.850 4.034 -4.948 1.00 0.00 O ATOM 331 O5' A A 11 -10.197 5.485 -6.172 1.00 0.00 O ATOM 332 C5' A A 11 -10.739 5.550 -7.481 1.00 0.00 C ATOM 333 C4' A A 11 -9.586 5.567 -8.500 1.00 0.00 C ATOM 334 O4' A A 11 -8.915 6.818 -8.407 1.00 0.00 O ATOM 335 C3' A A 11 -8.499 4.492 -8.285 1.00 0.00 C ATOM 336 O3' A A 11 -8.775 3.203 -8.834 1.00 0.00 O ATOM 337 C2' A A 11 -7.270 5.171 -8.898 1.00 0.00 C ATOM 338 O2' A A 11 -7.178 4.997 -10.302 1.00 0.00 O ATOM 339 C1' A A 11 -7.514 6.649 -8.560 1.00 0.00 C ATOM 340 N9 A A 11 -6.818 7.059 -7.305 1.00 0.00 N ATOM 341 C8 A A 11 -6.938 6.537 -6.038 1.00 0.00 C ATOM 342 N7 A A 11 -6.193 7.110 -5.136 1.00 0.00 N ATOM 343 C5 A A 11 -5.521 8.101 -5.845 1.00 0.00 C ATOM 344 C6 A A 11 -4.559 9.088 -5.476 1.00 0.00 C ATOM 345 N6 A A 11 -4.096 9.229 -4.228 1.00 0.00 N ATOM 346 N1 A A 11 -4.084 9.932 -6.431 1.00 0.00 N ATOM 347 C2 A A 11 -4.538 9.802 -7.687 1.00 0.00 C ATOM 348 N3 A A 11 -5.432 8.919 -8.158 1.00 0.00 N ATOM 349 C4 A A 11 -5.900 8.078 -7.176 1.00 0.00 C ATOM 0 H5' A A 11 -11.352 6.445 -7.591 1.00 0.00 H new ATOM 0 H5'' A A 11 -11.389 4.694 -7.662 1.00 0.00 H new ATOM 0 H4' A A 11 -10.060 5.376 -9.463 1.00 0.00 H new ATOM 0 H3' A A 11 -8.391 4.223 -7.234 1.00 0.00 H new ATOM 0 H2' A A 11 -6.338 4.758 -8.513 1.00 0.00 H new ATOM 0 HO2' A A 11 -7.731 4.235 -10.574 1.00 0.00 H new ATOM 0 H1' A A 11 -7.117 7.274 -9.360 1.00 0.00 H new ATOM 0 H8 A A 11 -7.600 5.715 -5.809 1.00 0.00 H new ATOM 0 H61 A A 11 -3.408 9.952 -4.018 1.00 0.00 H new ATOM 0 H62 A A 11 -4.431 8.613 -3.487 1.00 0.00 H new ATOM 0 H2 A A 11 -4.133 10.495 -8.410 1.00 0.00 H new ATOM 361 P U A 12 -9.418 1.954 -7.996 1.00 0.00 P ATOM 362 OP1 U A 12 -9.609 0.856 -8.969 1.00 0.00 O ATOM 363 OP2 U A 12 -10.592 2.433 -7.233 1.00 0.00 O ATOM 364 O5' U A 12 -8.320 1.424 -6.918 1.00 0.00 O ATOM 365 C5' U A 12 -7.799 2.208 -5.851 1.00 0.00 C ATOM 366 C4' U A 12 -6.369 2.656 -6.191 1.00 0.00 C ATOM 367 O4' U A 12 -5.886 3.637 -5.286 1.00 0.00 O ATOM 368 C3' U A 12 -5.363 1.504 -6.139 1.00 0.00 C ATOM 369 O3' U A 12 -5.417 0.722 -7.328 1.00 0.00 O ATOM 370 C2' U A 12 -4.056 2.269 -5.927 1.00 0.00 C ATOM 371 O2' U A 12 -3.530 2.827 -7.122 1.00 0.00 O ATOM 372 C1' U A 12 -4.514 3.384 -4.975 1.00 0.00 C ATOM 373 N1 U A 12 -4.304 3.065 -3.519 1.00 0.00 N ATOM 374 C2 U A 12 -2.985 3.096 -3.006 1.00 0.00 C ATOM 375 O2 U A 12 -1.988 3.320 -3.695 1.00 0.00 O ATOM 376 N3 U A 12 -2.836 2.855 -1.634 1.00 0.00 N ATOM 377 C4 U A 12 -3.876 2.590 -0.738 1.00 0.00 C ATOM 378 O4 U A 12 -3.638 2.391 0.451 1.00 0.00 O ATOM 379 C5 U A 12 -5.201 2.577 -1.342 1.00 0.00 C ATOM 380 C6 U A 12 -5.375 2.808 -2.671 1.00 0.00 C ATOM 0 H5' U A 12 -7.800 1.629 -4.927 1.00 0.00 H new ATOM 0 H5'' U A 12 -8.433 3.078 -5.682 1.00 0.00 H new ATOM 0 H4' U A 12 -6.445 3.056 -7.202 1.00 0.00 H new ATOM 0 H3' U A 12 -5.532 0.757 -5.364 1.00 0.00 H new ATOM 0 H2' U A 12 -3.252 1.633 -5.557 1.00 0.00 H new ATOM 0 HO2' U A 12 -3.922 2.371 -7.896 1.00 0.00 H new ATOM 0 H1' U A 12 -3.903 4.274 -5.127 1.00 0.00 H new ATOM 0 H3 U A 12 -1.889 2.875 -1.257 1.00 0.00 H new ATOM 0 H5 U A 12 -6.063 2.380 -0.722 1.00 0.00 H new ATOM 0 H6 U A 12 -6.375 2.791 -3.079 1.00 0.00 H new ATOM 391 P C A 13 -5.219 -0.885 -7.329 1.00 0.00 P ATOM 392 OP1 C A 13 -5.393 -1.368 -8.718 1.00 0.00 O ATOM 393 OP2 C A 13 -6.050 -1.464 -6.249 1.00 0.00 O ATOM 394 O5' C A 13 -3.667 -1.055 -6.909 1.00 0.00 O ATOM 395 C5' C A 13 -2.601 -0.692 -7.773 1.00 0.00 C ATOM 396 C4' C A 13 -1.250 -0.751 -7.045 1.00 0.00 C ATOM 397 O4' C A 13 -1.193 0.200 -5.991 1.00 0.00 O ATOM 398 C3' C A 13 -0.944 -2.103 -6.390 1.00 0.00 C ATOM 399 O3' C A 13 -0.530 -3.083 -7.337 1.00 0.00 O ATOM 400 C2' C A 13 0.122 -1.684 -5.377 1.00 0.00 C ATOM 401 O2' C A 13 1.419 -1.553 -5.938 1.00 0.00 O ATOM 402 C1' C A 13 -0.402 -0.311 -4.919 1.00 0.00 C ATOM 403 N1 C A 13 -1.158 -0.410 -3.620 1.00 0.00 N ATOM 404 C2 C A 13 -0.424 -0.625 -2.429 1.00 0.00 C ATOM 405 O2 C A 13 0.802 -0.750 -2.433 1.00 0.00 O ATOM 406 N3 C A 13 -1.103 -0.701 -1.240 1.00 0.00 N ATOM 407 C4 C A 13 -2.444 -0.584 -1.178 1.00 0.00 C ATOM 408 N4 C A 13 -3.040 -0.672 0.019 1.00 0.00 N ATOM 409 C5 C A 13 -3.222 -0.370 -2.379 1.00 0.00 C ATOM 410 C6 C A 13 -2.543 -0.289 -3.558 1.00 0.00 C ATOM 0 H5' C A 13 -2.767 0.315 -8.156 1.00 0.00 H new ATOM 0 H5'' C A 13 -2.583 -1.361 -8.633 1.00 0.00 H new ATOM 0 H4' C A 13 -0.524 -0.554 -7.834 1.00 0.00 H new ATOM 0 H3' C A 13 -1.793 -2.607 -5.927 1.00 0.00 H new ATOM 0 H2' C A 13 0.251 -2.423 -4.586 1.00 0.00 H new ATOM 0 HO2' C A 13 1.451 -2.017 -6.801 1.00 0.00 H new ATOM 0 H1' C A 13 0.417 0.375 -4.706 1.00 0.00 H new ATOM 0 H41 C A 13 -4.054 -0.587 0.091 1.00 0.00 H new ATOM 0 H42 C A 13 -2.480 -0.824 0.858 1.00 0.00 H new ATOM 0 H5 C A 13 -4.297 -0.278 -2.343 1.00 0.00 H new ATOM 0 H6 C A 13 -3.096 -0.126 -4.471 1.00 0.00 H new ATOM 422 P U A 14 -0.755 -4.676 -7.104 1.00 0.00 P ATOM 423 OP1 U A 14 -0.260 -5.385 -8.307 1.00 0.00 O ATOM 424 OP2 U A 14 -2.150 -4.893 -6.659 1.00 0.00 O ATOM 425 O5' U A 14 0.219 -5.028 -5.859 1.00 0.00 O ATOM 426 C5' U A 14 1.634 -5.055 -5.979 1.00 0.00 C ATOM 427 C4' U A 14 2.315 -5.145 -4.605 1.00 0.00 C ATOM 428 O4' U A 14 1.960 -4.043 -3.780 1.00 0.00 O ATOM 429 C3' U A 14 1.955 -6.388 -3.782 1.00 0.00 C ATOM 430 O3' U A 14 2.604 -7.571 -4.235 1.00 0.00 O ATOM 431 C2' U A 14 2.380 -5.920 -2.388 1.00 0.00 C ATOM 432 O2' U A 14 3.778 -6.008 -2.157 1.00 0.00 O ATOM 433 C1' U A 14 1.947 -4.447 -2.412 1.00 0.00 C ATOM 434 N1 U A 14 0.612 -4.268 -1.742 1.00 0.00 N ATOM 435 C2 U A 14 0.577 -4.235 -0.330 1.00 0.00 C ATOM 436 O2 U A 14 1.579 -4.357 0.377 1.00 0.00 O ATOM 437 N3 U A 14 -0.676 -4.061 0.266 1.00 0.00 N ATOM 438 C4 U A 14 -1.890 -3.937 -0.415 1.00 0.00 C ATOM 439 O4 U A 14 -2.939 -3.796 0.209 1.00 0.00 O ATOM 440 C5 U A 14 -1.771 -3.991 -1.868 1.00 0.00 C ATOM 441 C6 U A 14 -0.564 -4.153 -2.474 1.00 0.00 C ATOM 0 H5' U A 14 1.973 -4.157 -6.496 1.00 0.00 H new ATOM 0 H5'' U A 14 1.932 -5.907 -6.590 1.00 0.00 H new ATOM 0 H4' U A 14 3.375 -5.172 -4.859 1.00 0.00 H new ATOM 0 H3' U A 14 0.911 -6.695 -3.842 1.00 0.00 H new ATOM 0 H2' U A 14 1.941 -6.531 -1.599 1.00 0.00 H new ATOM 0 HO2' U A 14 3.946 -6.580 -1.379 1.00 0.00 H new ATOM 0 H1' U A 14 2.627 -3.812 -1.844 1.00 0.00 H new ATOM 0 H3 U A 14 -0.706 -4.021 1.285 1.00 0.00 H new ATOM 0 H5 U A 14 -2.660 -3.900 -2.475 1.00 0.00 H new ATOM 0 H6 U A 14 -0.518 -4.193 -3.552 1.00 0.00 H new ATOM 452 P U A 15 2.059 -9.062 -3.876 1.00 0.00 P ATOM 453 OP1 U A 15 2.943 -10.042 -4.547 1.00 0.00 O ATOM 454 OP2 U A 15 0.602 -9.102 -4.144 1.00 0.00 O ATOM 455 O5' U A 15 2.264 -9.193 -2.273 1.00 0.00 O ATOM 456 C5' U A 15 3.543 -9.344 -1.674 1.00 0.00 C ATOM 457 C4' U A 15 3.482 -9.187 -0.146 1.00 0.00 C ATOM 458 O4' U A 15 2.944 -7.928 0.244 1.00 0.00 O ATOM 459 C3' U A 15 2.613 -10.224 0.577 1.00 0.00 C ATOM 460 O3' U A 15 3.222 -11.507 0.671 1.00 0.00 O ATOM 461 C2' U A 15 2.425 -9.517 1.922 1.00 0.00 C ATOM 462 O2' U A 15 3.550 -9.612 2.784 1.00 0.00 O ATOM 463 C1' U A 15 2.236 -8.065 1.477 1.00 0.00 C ATOM 464 N1 U A 15 0.781 -7.700 1.381 1.00 0.00 N ATOM 465 C2 U A 15 0.108 -7.327 2.566 1.00 0.00 C ATOM 466 O2 U A 15 0.640 -7.307 3.678 1.00 0.00 O ATOM 467 N3 U A 15 -1.239 -6.974 2.439 1.00 0.00 N ATOM 468 C4 U A 15 -1.973 -6.977 1.250 1.00 0.00 C ATOM 469 O4 U A 15 -3.158 -6.654 1.254 1.00 0.00 O ATOM 470 C5 U A 15 -1.211 -7.386 0.076 1.00 0.00 C ATOM 471 C6 U A 15 0.103 -7.726 0.169 1.00 0.00 C ATOM 0 H5' U A 15 4.228 -8.604 -2.088 1.00 0.00 H new ATOM 0 H5'' U A 15 3.947 -10.326 -1.922 1.00 0.00 H new ATOM 0 H4' U A 15 4.526 -9.310 0.141 1.00 0.00 H new ATOM 0 H3' U A 15 1.681 -10.477 0.071 1.00 0.00 H new ATOM 0 H2' U A 15 1.610 -9.950 2.502 1.00 0.00 H new ATOM 0 HO2' U A 15 3.361 -9.139 3.621 1.00 0.00 H new ATOM 0 H1' U A 15 2.637 -7.364 2.209 1.00 0.00 H new ATOM 0 H3 U A 15 -1.728 -6.690 3.288 1.00 0.00 H new ATOM 0 H5 U A 15 -1.700 -7.420 -0.887 1.00 0.00 H new ATOM 0 H6 U A 15 0.633 -8.024 -0.723 1.00 0.00 H new ATOM 482 P C A 16 2.370 -12.858 0.976 1.00 0.00 P ATOM 483 OP1 C A 16 3.320 -13.994 1.015 1.00 0.00 O ATOM 484 OP2 C A 16 1.226 -12.905 0.037 1.00 0.00 O ATOM 485 O5' C A 16 1.768 -12.635 2.468 1.00 0.00 O ATOM 486 C5' C A 16 2.572 -12.697 3.637 1.00 0.00 C ATOM 487 C4' C A 16 1.802 -12.223 4.884 1.00 0.00 C ATOM 488 O4' C A 16 1.297 -10.902 4.732 1.00 0.00 O ATOM 489 C3' C A 16 0.578 -13.074 5.236 1.00 0.00 C ATOM 490 O3' C A 16 0.910 -14.310 5.843 1.00 0.00 O ATOM 491 C2' C A 16 -0.201 -12.109 6.137 1.00 0.00 C ATOM 492 O2' C A 16 0.265 -12.071 7.477 1.00 0.00 O ATOM 493 C1' C A 16 0.071 -10.755 5.450 1.00 0.00 C ATOM 494 N1 C A 16 -1.091 -10.358 4.580 1.00 0.00 N ATOM 495 C2 C A 16 -2.256 -9.840 5.200 1.00 0.00 C ATOM 496 O2 C A 16 -2.335 -9.691 6.421 1.00 0.00 O ATOM 497 N3 C A 16 -3.328 -9.500 4.411 1.00 0.00 N ATOM 498 C4 C A 16 -3.297 -9.654 3.070 1.00 0.00 C ATOM 499 N4 C A 16 -4.376 -9.304 2.357 1.00 0.00 N ATOM 500 C5 C A 16 -2.122 -10.183 2.414 1.00 0.00 C ATOM 501 C6 C A 16 -1.061 -10.515 3.200 1.00 0.00 C ATOM 0 H5' C A 16 3.460 -12.080 3.501 1.00 0.00 H new ATOM 0 H5'' C A 16 2.915 -13.720 3.789 1.00 0.00 H new ATOM 0 H4' C A 16 2.552 -12.298 5.671 1.00 0.00 H new ATOM 0 H3' C A 16 0.003 -13.416 4.375 1.00 0.00 H new ATOM 0 H2' C A 16 -1.249 -12.394 6.229 1.00 0.00 H new ATOM 0 HO2' C A 16 0.794 -12.875 7.662 1.00 0.00 H new ATOM 0 HO3' C A 16 0.089 -14.806 6.045 1.00 0.00 H new ATOM 0 H1' C A 16 0.173 -9.943 6.170 1.00 0.00 H new ATOM 0 H41 C A 16 -4.374 -9.412 1.343 1.00 0.00 H new ATOM 0 H42 C A 16 -5.199 -8.930 2.829 1.00 0.00 H new ATOM 0 H5 C A 16 -2.087 -10.310 1.342 1.00 0.00 H new ATOM 0 H6 C A 16 -0.170 -10.912 2.737 1.00 0.00 H new TER 514 C A 16