USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 132 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 -2:sc= 0.437 USER MOD Single : A 1 G O5' : rot -62:sc= -1.95! USER MOD Single : A 2 G O2' : rot -146:sc= -0.0133 USER MOD Single : A 3 U O2' : rot -16:sc= 0.228 USER MOD Single : A 4 G O2' : rot -12:sc= 0.244 USER MOD Single : A 5 U O2' : rot -43:sc= -0.618 USER MOD Single : A 6 G O2' : rot -96:sc= -5.56! USER MOD Single : A 7 A O2' : rot -140:sc= -2.84! USER MOD Single : A 8 A O2' : rot -57:sc= -3.02! USER MOD Single : A 9 C O2' : rot -171:sc= -3.06! USER MOD Single : A 10 A O2' : rot -14:sc= 0.158 USER MOD Single : A 11 C O2' : rot -17:sc= 0.247 USER MOD Single : A 12 C O2' : rot -8:sc= 0.346 USER MOD Single : A 12 C O3' : rot 180:sc= 0.29 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.106 -2.566 6.710 1.00 0.44 O ATOM 2 C5' G A 1 -3.391 -3.935 7.009 1.00 0.46 C ATOM 3 C4' G A 1 -4.710 -4.102 7.764 1.00 0.42 C ATOM 4 O4' G A 1 -4.966 -2.980 8.635 1.00 0.44 O ATOM 5 C3' G A 1 -5.874 -4.204 6.791 1.00 0.34 C ATOM 6 O3' G A 1 -6.622 -5.395 7.041 1.00 0.37 O ATOM 7 C2' G A 1 -6.707 -2.967 6.989 1.00 0.33 C ATOM 8 O2' G A 1 -8.025 -3.310 7.433 1.00 0.38 O ATOM 9 C1' G A 1 -5.979 -2.148 8.041 1.00 0.38 C ATOM 10 N9 G A 1 -5.361 -0.932 7.475 1.00 0.36 N ATOM 11 C8 G A 1 -4.149 -0.396 7.722 1.00 0.41 C ATOM 12 N7 G A 1 -3.830 0.736 7.217 1.00 0.40 N ATOM 13 C5 G A 1 -5.001 1.033 6.509 1.00 0.32 C ATOM 14 C6 G A 1 -5.314 2.161 5.712 1.00 0.29 C ATOM 15 O6 G A 1 -4.619 3.144 5.479 1.00 0.33 O ATOM 16 N1 G A 1 -6.586 2.067 5.171 1.00 0.25 N ATOM 17 C2 G A 1 -7.460 1.021 5.372 1.00 0.26 C ATOM 18 N2 G A 1 -8.633 1.111 4.755 1.00 0.29 N ATOM 19 N3 G A 1 -7.184 -0.048 6.124 1.00 0.28 N ATOM 20 C4 G A 1 -5.945 0.016 6.661 1.00 0.30 C ATOM 0 H5' G A 1 -2.579 -4.351 7.605 1.00 0.46 H new ATOM 0 H5'' G A 1 -3.431 -4.506 6.082 1.00 0.46 H new ATOM 0 H4' G A 1 -4.621 -5.014 8.354 1.00 0.42 H new ATOM 0 H3' G A 1 -5.533 -4.265 5.757 1.00 0.34 H new ATOM 0 H2' G A 1 -6.827 -2.410 6.060 1.00 0.33 H new ATOM 0 HO2' G A 1 -8.112 -4.285 7.475 1.00 0.38 H new ATOM 0 HO5' G A 1 -3.809 -2.204 6.131 1.00 0.44 H new ATOM 0 H1' G A 1 -6.702 -1.818 8.787 1.00 0.38 H new ATOM 0 H8 G A 1 -3.445 -0.924 8.348 1.00 0.41 H new ATOM 0 H1 G A 1 -6.901 2.834 4.576 1.00 0.25 H new ATOM 0 H21 G A 1 -9.324 0.369 4.863 1.00 0.29 H new ATOM 0 H22 G A 1 -8.842 1.922 4.173 1.00 0.29 H new ATOM 33 P G A 2 -6.029 -6.809 6.552 1.00 0.41 P ATOM 34 OP1 G A 2 -7.093 -7.828 6.681 1.00 0.45 O ATOM 35 OP2 G A 2 -4.720 -7.019 7.209 1.00 0.54 O ATOM 36 O5' G A 2 -5.772 -6.537 4.984 1.00 0.35 O ATOM 37 C5' G A 2 -6.839 -6.718 4.054 1.00 0.30 C ATOM 38 C4' G A 2 -6.914 -5.612 3.003 1.00 0.24 C ATOM 39 O4' G A 2 -6.960 -4.280 3.567 1.00 0.23 O ATOM 40 C3' G A 2 -5.725 -5.611 2.065 1.00 0.24 C ATOM 41 O3' G A 2 -5.844 -6.634 1.063 1.00 0.26 O ATOM 42 C2' G A 2 -5.790 -4.226 1.481 1.00 0.21 C ATOM 43 O2' G A 2 -6.633 -4.186 0.324 1.00 0.22 O ATOM 44 C1' G A 2 -6.360 -3.373 2.601 1.00 0.20 C ATOM 45 N9 G A 2 -5.330 -2.477 3.163 1.00 0.22 N ATOM 46 C8 G A 2 -4.417 -2.654 4.129 1.00 0.26 C ATOM 47 N7 G A 2 -3.601 -1.703 4.423 1.00 0.28 N ATOM 48 C5 G A 2 -4.021 -0.720 3.515 1.00 0.23 C ATOM 49 C6 G A 2 -3.538 0.601 3.295 1.00 0.23 C ATOM 50 O6 G A 2 -2.629 1.193 3.873 1.00 0.28 O ATOM 51 N1 G A 2 -4.245 1.238 2.282 1.00 0.20 N ATOM 52 C2 G A 2 -5.286 0.683 1.570 1.00 0.20 C ATOM 53 N2 G A 2 -5.838 1.443 0.636 1.00 0.24 N ATOM 54 N3 G A 2 -5.746 -0.548 1.768 1.00 0.19 N ATOM 55 C4 G A 2 -5.079 -1.193 2.743 1.00 0.20 C ATOM 0 H5' G A 2 -7.783 -6.759 4.597 1.00 0.30 H new ATOM 0 H5'' G A 2 -6.717 -7.679 3.553 1.00 0.30 H new ATOM 0 H4' G A 2 -7.840 -5.839 2.474 1.00 0.24 H new ATOM 0 H3' G A 2 -4.774 -5.828 2.552 1.00 0.24 H new ATOM 0 H2' G A 2 -4.814 -3.875 1.144 1.00 0.21 H new ATOM 0 HO2' G A 2 -6.279 -3.534 -0.316 1.00 0.22 H new ATOM 0 H1' G A 2 -7.134 -2.695 2.241 1.00 0.20 H new ATOM 0 H8 G A 2 -4.366 -3.593 4.660 1.00 0.26 H new ATOM 0 H1 G A 2 -3.972 2.192 2.047 1.00 0.20 H new ATOM 0 H21 G A 2 -6.613 1.084 0.078 1.00 0.24 H new ATOM 0 H22 G A 2 -5.489 2.388 0.475 1.00 0.24 H new ATOM 67 P U A 3 -4.768 -6.759 -0.133 1.00 0.29 P ATOM 68 OP1 U A 3 -4.921 -8.092 -0.757 1.00 0.38 O ATOM 69 OP2 U A 3 -3.447 -6.327 0.376 1.00 0.33 O ATOM 70 O5' U A 3 -5.291 -5.645 -1.172 1.00 0.26 O ATOM 71 C5' U A 3 -6.398 -5.914 -2.039 1.00 0.27 C ATOM 72 C4' U A 3 -6.453 -4.921 -3.194 1.00 0.25 C ATOM 73 O4' U A 3 -6.747 -3.576 -2.732 1.00 0.24 O ATOM 74 C3' U A 3 -5.117 -4.848 -3.906 1.00 0.23 C ATOM 75 O3' U A 3 -5.008 -5.784 -4.989 1.00 0.26 O ATOM 76 C2' U A 3 -5.048 -3.432 -4.379 1.00 0.23 C ATOM 77 O2' U A 3 -5.635 -3.297 -5.677 1.00 0.28 O ATOM 78 C1' U A 3 -5.819 -2.644 -3.350 1.00 0.23 C ATOM 79 N1 U A 3 -4.908 -2.055 -2.342 1.00 0.21 N ATOM 80 C2 U A 3 -4.478 -0.746 -2.507 1.00 0.22 C ATOM 81 O2 U A 3 -4.783 -0.070 -3.486 1.00 0.26 O ATOM 82 N3 U A 3 -3.670 -0.245 -1.498 1.00 0.21 N ATOM 83 C4 U A 3 -3.277 -0.925 -0.367 1.00 0.19 C ATOM 84 O4 U A 3 -2.589 -0.382 0.479 1.00 0.21 O ATOM 85 C5 U A 3 -3.762 -2.270 -0.289 1.00 0.20 C ATOM 86 C6 U A 3 -4.542 -2.782 -1.262 1.00 0.20 C ATOM 0 H5' U A 3 -7.327 -5.866 -1.471 1.00 0.27 H new ATOM 0 H5'' U A 3 -6.317 -6.927 -2.432 1.00 0.27 H new ATOM 0 H4' U A 3 -7.239 -5.276 -3.860 1.00 0.25 H new ATOM 0 H3' U A 3 -4.289 -5.118 -3.250 1.00 0.23 H new ATOM 0 H2' U A 3 -4.021 -3.081 -4.476 1.00 0.23 H new ATOM 0 HO2' U A 3 -5.733 -4.182 -6.086 1.00 0.28 H new ATOM 0 H1' U A 3 -6.350 -1.811 -3.811 1.00 0.23 H new ATOM 0 H3 U A 3 -3.337 0.713 -1.603 1.00 0.21 H new ATOM 0 H5 U A 3 -3.499 -2.883 0.561 1.00 0.20 H new ATOM 0 H6 U A 3 -4.885 -3.803 -1.177 1.00 0.20 H new ATOM 97 P G A 4 -3.801 -6.866 -5.013 1.00 0.26 P ATOM 98 OP1 G A 4 -4.046 -7.800 -6.134 1.00 0.32 O ATOM 99 OP2 G A 4 -3.633 -7.390 -3.640 1.00 0.29 O ATOM 100 O5' G A 4 -2.501 -5.970 -5.377 1.00 0.23 O ATOM 101 C5' G A 4 -2.407 -5.322 -6.652 1.00 0.23 C ATOM 102 C4' G A 4 -2.241 -3.806 -6.519 1.00 0.22 C ATOM 103 O4' G A 4 -2.840 -3.327 -5.306 1.00 0.24 O ATOM 104 C3' G A 4 -0.795 -3.365 -6.443 1.00 0.20 C ATOM 105 O3' G A 4 -0.208 -3.208 -7.739 1.00 0.24 O ATOM 106 C2' G A 4 -0.862 -2.057 -5.702 1.00 0.24 C ATOM 107 O2' G A 4 -0.971 -0.958 -6.614 1.00 0.30 O ATOM 108 C1' G A 4 -2.107 -2.178 -4.833 1.00 0.23 C ATOM 109 N9 G A 4 -1.717 -2.304 -3.427 1.00 0.22 N ATOM 110 C8 G A 4 -1.975 -3.258 -2.521 1.00 0.23 C ATOM 111 N7 G A 4 -1.495 -3.148 -1.329 1.00 0.23 N ATOM 112 C5 G A 4 -0.815 -1.920 -1.444 1.00 0.23 C ATOM 113 C6 G A 4 -0.061 -1.180 -0.484 1.00 0.24 C ATOM 114 O6 G A 4 0.169 -1.455 0.695 1.00 0.27 O ATOM 115 N1 G A 4 0.433 0.000 -1.031 1.00 0.24 N ATOM 116 C2 G A 4 0.234 0.416 -2.326 1.00 0.24 C ATOM 117 N2 G A 4 0.763 1.580 -2.657 1.00 0.26 N ATOM 118 N3 G A 4 -0.459 -0.263 -3.226 1.00 0.23 N ATOM 119 C4 G A 4 -0.955 -1.410 -2.727 1.00 0.22 C ATOM 0 H5' G A 4 -3.303 -5.538 -7.234 1.00 0.23 H new ATOM 0 H5'' G A 4 -1.561 -5.731 -7.204 1.00 0.23 H new ATOM 0 H4' G A 4 -2.716 -3.402 -7.413 1.00 0.22 H new ATOM 0 H3' G A 4 -0.163 -4.102 -5.947 1.00 0.20 H new ATOM 0 H2' G A 4 0.034 -1.866 -5.112 1.00 0.24 H new ATOM 0 HO2' G A 4 -0.779 -1.268 -7.524 1.00 0.30 H new ATOM 0 H1' G A 4 -2.741 -1.294 -4.901 1.00 0.23 H new ATOM 0 H8 G A 4 -2.580 -4.112 -2.787 1.00 0.23 H new ATOM 0 H1 G A 4 0.986 0.604 -0.423 1.00 0.24 H new ATOM 0 H21 G A 4 0.649 1.941 -3.604 1.00 0.26 H new ATOM 0 H22 G A 4 1.286 2.118 -1.966 1.00 0.26 H new ATOM 131 P U A 5 1.097 -4.063 -8.142 1.00 0.29 P ATOM 132 OP1 U A 5 1.764 -3.383 -9.273 1.00 0.48 O ATOM 133 OP2 U A 5 0.696 -5.482 -8.264 1.00 0.42 O ATOM 134 O5' U A 5 2.036 -3.919 -6.839 1.00 0.29 O ATOM 135 C5' U A 5 2.681 -2.678 -6.531 1.00 0.34 C ATOM 136 C4' U A 5 3.024 -2.576 -5.046 1.00 0.34 C ATOM 137 O4' U A 5 1.840 -2.728 -4.233 1.00 0.33 O ATOM 138 C3' U A 5 4.002 -3.663 -4.629 1.00 0.32 C ATOM 139 O3' U A 5 5.357 -3.184 -4.637 1.00 0.39 O ATOM 140 C2' U A 5 3.560 -4.066 -3.249 1.00 0.32 C ATOM 141 O2' U A 5 4.341 -3.417 -2.243 1.00 0.39 O ATOM 142 C1' U A 5 2.104 -3.656 -3.155 1.00 0.33 C ATOM 143 N1 U A 5 1.241 -4.851 -3.252 1.00 0.35 N ATOM 144 C2 U A 5 0.647 -5.308 -2.090 1.00 0.44 C ATOM 145 O2 U A 5 0.799 -4.747 -1.010 1.00 0.51 O ATOM 146 N3 U A 5 -0.119 -6.450 -2.210 1.00 0.50 N ATOM 147 C4 U A 5 -0.340 -7.166 -3.371 1.00 0.50 C ATOM 148 O4 U A 5 -1.032 -8.180 -3.355 1.00 0.60 O ATOM 149 C5 U A 5 0.316 -6.619 -4.534 1.00 0.43 C ATOM 150 C6 U A 5 1.071 -5.501 -4.445 1.00 0.35 C ATOM 0 H5' U A 5 2.031 -1.850 -6.813 1.00 0.34 H new ATOM 0 H5'' U A 5 3.592 -2.584 -7.123 1.00 0.34 H new ATOM 0 H4' U A 5 3.469 -1.592 -4.896 1.00 0.34 H new ATOM 0 H3' U A 5 3.996 -4.507 -5.319 1.00 0.32 H new ATOM 0 H2' U A 5 3.690 -5.136 -3.085 1.00 0.32 H new ATOM 0 HO2' U A 5 5.286 -3.430 -2.503 1.00 0.39 H new ATOM 0 H1' U A 5 1.892 -3.176 -2.199 1.00 0.33 H new ATOM 0 H3 U A 5 -0.564 -6.798 -1.361 1.00 0.50 H new ATOM 0 H5 U A 5 0.202 -7.110 -5.489 1.00 0.43 H new ATOM 0 H6 U A 5 1.549 -5.113 -5.332 1.00 0.35 H new ATOM 161 P G A 6 6.341 -3.484 -5.886 1.00 0.46 P ATOM 162 OP1 G A 6 7.060 -2.231 -6.212 1.00 0.59 O ATOM 163 OP2 G A 6 5.561 -4.175 -6.939 1.00 0.52 O ATOM 164 O5' G A 6 7.414 -4.531 -5.277 1.00 0.42 O ATOM 165 C5' G A 6 8.273 -4.126 -4.210 1.00 0.36 C ATOM 166 C4' G A 6 7.762 -4.595 -2.848 1.00 0.27 C ATOM 167 O4' G A 6 6.326 -4.688 -2.838 1.00 0.26 O ATOM 168 C3' G A 6 8.290 -5.958 -2.451 1.00 0.30 C ATOM 169 O3' G A 6 9.544 -5.786 -1.747 1.00 0.32 O ATOM 170 C2' G A 6 7.173 -6.545 -1.603 1.00 0.29 C ATOM 171 O2' G A 6 7.390 -6.347 -0.207 1.00 0.31 O ATOM 172 C1' G A 6 5.925 -5.817 -2.033 1.00 0.27 C ATOM 173 N9 G A 6 5.036 -6.747 -2.758 1.00 0.31 N ATOM 174 C8 G A 6 4.052 -7.512 -2.274 1.00 0.37 C ATOM 175 N7 G A 6 3.386 -8.282 -3.050 1.00 0.43 N ATOM 176 C5 G A 6 4.016 -8.010 -4.272 1.00 0.43 C ATOM 177 C6 G A 6 3.762 -8.543 -5.563 1.00 0.52 C ATOM 178 O6 G A 6 2.913 -9.365 -5.897 1.00 0.60 O ATOM 179 N1 G A 6 4.621 -8.010 -6.510 1.00 0.56 N ATOM 180 C2 G A 6 5.605 -7.079 -6.256 1.00 0.53 C ATOM 181 N2 G A 6 6.338 -6.701 -7.297 1.00 0.63 N ATOM 182 N3 G A 6 5.854 -6.568 -5.048 1.00 0.42 N ATOM 183 C4 G A 6 5.033 -7.068 -4.103 1.00 0.37 C ATOM 0 H5' G A 6 8.361 -3.040 -4.209 1.00 0.36 H new ATOM 0 H5'' G A 6 9.273 -4.526 -4.379 1.00 0.36 H new ATOM 0 H4' G A 6 8.120 -3.847 -2.141 1.00 0.27 H new ATOM 0 H3' G A 6 8.520 -6.628 -3.279 1.00 0.30 H new ATOM 0 H2' G A 6 7.110 -7.623 -1.748 1.00 0.29 H new ATOM 0 HO2' G A 6 7.812 -7.145 0.175 1.00 0.31 H new ATOM 0 H1' G A 6 5.360 -5.447 -1.177 1.00 0.27 H new ATOM 0 H8 G A 6 3.817 -7.480 -1.220 1.00 0.37 H new ATOM 0 H1 G A 6 4.517 -8.332 -7.472 1.00 0.56 H new ATOM 0 H21 G A 6 7.082 -6.015 -7.174 1.00 0.63 H new ATOM 0 H22 G A 6 6.157 -7.097 -8.219 1.00 0.63 H new ATOM 195 P A A 7 10.116 -6.792 -0.616 1.00 0.34 P ATOM 196 OP1 A A 7 11.488 -7.187 -1.007 1.00 0.40 O ATOM 197 OP2 A A 7 9.109 -7.840 -0.325 1.00 0.42 O ATOM 198 O5' A A 7 10.225 -5.813 0.667 1.00 0.32 O ATOM 199 C5' A A 7 9.097 -5.039 1.109 1.00 0.28 C ATOM 200 C4' A A 7 9.521 -3.756 1.821 1.00 0.26 C ATOM 201 O4' A A 7 9.957 -2.760 0.868 1.00 0.24 O ATOM 202 C3' A A 7 8.355 -3.138 2.574 1.00 0.26 C ATOM 203 O3' A A 7 8.772 -2.489 3.797 1.00 0.31 O ATOM 204 C2' A A 7 7.768 -2.171 1.599 1.00 0.23 C ATOM 205 O2' A A 7 7.182 -1.071 2.281 1.00 0.26 O ATOM 206 C1' A A 7 8.951 -1.719 0.770 1.00 0.21 C ATOM 207 N9 A A 7 8.592 -1.487 -0.639 1.00 0.23 N ATOM 208 C8 A A 7 7.547 -1.917 -1.371 1.00 0.26 C ATOM 209 N7 A A 7 7.465 -1.603 -2.614 1.00 0.32 N ATOM 210 C5 A A 7 8.634 -0.842 -2.754 1.00 0.34 C ATOM 211 C6 A A 7 9.208 -0.173 -3.841 1.00 0.43 C ATOM 212 N6 A A 7 8.668 -0.163 -5.058 1.00 0.51 N ATOM 213 N1 A A 7 10.367 0.477 -3.626 1.00 0.46 N ATOM 214 C2 A A 7 10.932 0.469 -2.414 1.00 0.41 C ATOM 215 N3 A A 7 10.478 -0.127 -1.321 1.00 0.33 N ATOM 216 C4 A A 7 9.321 -0.769 -1.557 1.00 0.29 C ATOM 0 H5' A A 7 8.487 -5.641 1.782 1.00 0.28 H new ATOM 0 H5'' A A 7 8.473 -4.787 0.252 1.00 0.28 H new ATOM 0 H4' A A 7 10.326 -4.033 2.502 1.00 0.26 H new ATOM 0 H3' A A 7 7.635 -3.887 2.903 1.00 0.26 H new ATOM 0 H2' A A 7 6.977 -2.612 0.992 1.00 0.23 H new ATOM 0 HO2' A A 7 6.345 -0.819 1.837 1.00 0.26 H new ATOM 0 H1' A A 7 9.320 -0.766 1.149 1.00 0.21 H new ATOM 0 H8 A A 7 6.780 -2.524 -0.914 1.00 0.26 H new ATOM 0 H61 A A 7 9.128 0.341 -5.816 1.00 0.51 H new ATOM 0 H62 A A 7 7.794 -0.659 -5.232 1.00 0.51 H new ATOM 0 H2 A A 7 11.862 1.009 -2.315 1.00 0.41 H new ATOM 228 P A A 8 9.926 -1.354 3.846 1.00 0.30 P ATOM 229 OP1 A A 8 11.102 -1.839 3.091 1.00 0.40 O ATOM 230 OP2 A A 8 10.087 -0.933 5.256 1.00 0.31 O ATOM 231 O5' A A 8 9.271 -0.119 3.033 1.00 0.26 O ATOM 232 C5' A A 8 10.105 0.938 2.536 1.00 0.25 C ATOM 233 C4' A A 8 9.315 2.208 2.216 1.00 0.22 C ATOM 234 O4' A A 8 8.248 1.966 1.256 1.00 0.22 O ATOM 235 C3' A A 8 8.663 2.786 3.457 1.00 0.23 C ATOM 236 O3' A A 8 8.756 4.225 3.431 1.00 0.26 O ATOM 237 C2' A A 8 7.243 2.278 3.384 1.00 0.23 C ATOM 238 O2' A A 8 6.296 3.130 4.034 1.00 0.28 O ATOM 239 C1' A A 8 6.961 2.165 1.901 1.00 0.21 C ATOM 240 N9 A A 8 6.007 1.070 1.643 1.00 0.23 N ATOM 241 C8 A A 8 5.248 0.398 2.516 1.00 0.25 C ATOM 242 N7 A A 8 4.439 -0.506 2.111 1.00 0.29 N ATOM 243 C5 A A 8 4.680 -0.449 0.732 1.00 0.28 C ATOM 244 C6 A A 8 4.149 -1.157 -0.347 1.00 0.32 C ATOM 245 N6 A A 8 3.224 -2.102 -0.215 1.00 0.38 N ATOM 246 N1 A A 8 4.606 -0.852 -1.570 1.00 0.33 N ATOM 247 C2 A A 8 5.532 0.090 -1.731 1.00 0.31 C ATOM 248 N3 A A 8 6.110 0.830 -0.785 1.00 0.27 N ATOM 249 C4 A A 8 5.638 0.511 0.436 1.00 0.24 C ATOM 0 H5' A A 8 10.619 0.598 1.637 1.00 0.25 H new ATOM 0 H5'' A A 8 10.873 1.168 3.275 1.00 0.25 H new ATOM 0 H4' A A 8 10.045 2.903 1.800 1.00 0.22 H new ATOM 0 H3' A A 8 9.135 2.489 4.394 1.00 0.23 H new ATOM 0 H2' A A 8 7.141 1.330 3.911 1.00 0.23 H new ATOM 0 HO2' A A 8 6.554 3.250 4.972 1.00 0.28 H new ATOM 0 H1' A A 8 6.488 3.061 1.499 1.00 0.21 H new ATOM 0 H8 A A 8 5.319 0.621 3.570 1.00 0.25 H new ATOM 0 H61 A A 8 2.871 -2.588 -1.039 1.00 0.38 H new ATOM 0 H62 A A 8 2.867 -2.341 0.710 1.00 0.38 H new ATOM 0 H2 A A 8 5.852 0.276 -2.745 1.00 0.31 H new ATOM 261 P C A 9 7.906 5.174 4.423 1.00 0.29 P ATOM 262 OP1 C A 9 8.653 6.440 4.607 1.00 0.35 O ATOM 263 OP2 C A 9 7.498 4.377 5.605 1.00 0.38 O ATOM 264 O5' C A 9 6.597 5.482 3.536 1.00 0.29 O ATOM 265 C5' C A 9 6.747 6.032 2.225 1.00 0.31 C ATOM 266 C4' C A 9 5.541 5.768 1.323 1.00 0.28 C ATOM 267 O4' C A 9 5.361 4.377 0.984 1.00 0.28 O ATOM 268 C3' C A 9 4.240 6.176 1.960 1.00 0.25 C ATOM 269 O3' C A 9 4.021 7.598 1.936 1.00 0.28 O ATOM 270 C2' C A 9 3.231 5.445 1.128 1.00 0.24 C ATOM 271 O2' C A 9 2.828 6.233 0.004 1.00 0.27 O ATOM 272 C1' C A 9 3.953 4.194 0.661 1.00 0.25 C ATOM 273 N1 C A 9 3.354 3.013 1.315 1.00 0.24 N ATOM 274 C2 C A 9 2.593 2.166 0.521 1.00 0.25 C ATOM 275 O2 C A 9 2.493 2.374 -0.685 1.00 0.27 O ATOM 276 N3 C A 9 1.964 1.119 1.112 1.00 0.25 N ATOM 277 C4 C A 9 2.074 0.904 2.425 1.00 0.26 C ATOM 278 N4 C A 9 1.454 -0.143 2.965 1.00 0.29 N ATOM 279 C5 C A 9 2.860 1.770 3.253 1.00 0.26 C ATOM 280 C6 C A 9 3.481 2.808 2.657 1.00 0.25 C ATOM 0 H5' C A 9 7.639 5.612 1.761 1.00 0.31 H new ATOM 0 H5'' C A 9 6.905 7.107 2.304 1.00 0.31 H new ATOM 0 H4' C A 9 5.769 6.360 0.437 1.00 0.28 H new ATOM 0 H3' C A 9 4.199 5.932 3.021 1.00 0.25 H new ATOM 0 H2' C A 9 2.325 5.221 1.690 1.00 0.24 H new ATOM 0 HO2' C A 9 2.067 5.804 -0.440 1.00 0.27 H new ATOM 0 H1' C A 9 3.858 4.028 -0.412 1.00 0.25 H new ATOM 0 H41 C A 9 1.529 -0.319 3.967 1.00 0.29 H new ATOM 0 H42 C A 9 0.904 -0.769 2.377 1.00 0.29 H new ATOM 0 H5 C A 9 2.952 1.598 4.315 1.00 0.26 H new ATOM 0 H6 C A 9 4.084 3.482 3.247 1.00 0.25 H new ATOM 292 P A A 10 2.590 8.224 2.363 1.00 0.29 P ATOM 293 OP1 A A 10 2.771 9.676 2.585 1.00 0.31 O ATOM 294 OP2 A A 10 2.016 7.380 3.435 1.00 0.37 O ATOM 295 O5' A A 10 1.696 8.019 1.029 1.00 0.27 O ATOM 296 C5' A A 10 1.790 8.947 -0.061 1.00 0.31 C ATOM 297 C4' A A 10 0.870 8.579 -1.229 1.00 0.28 C ATOM 298 O4' A A 10 1.182 7.277 -1.778 1.00 0.29 O ATOM 299 C3' A A 10 -0.585 8.525 -0.806 1.00 0.24 C ATOM 300 O3' A A 10 -1.226 9.801 -0.906 1.00 0.26 O ATOM 301 C2' A A 10 -1.185 7.502 -1.719 1.00 0.24 C ATOM 302 O2' A A 10 -1.616 8.094 -2.949 1.00 0.28 O ATOM 303 C1' A A 10 -0.050 6.528 -1.946 1.00 0.26 C ATOM 304 N9 A A 10 -0.126 5.449 -0.954 1.00 0.23 N ATOM 305 C8 A A 10 0.444 5.356 0.256 1.00 0.23 C ATOM 306 N7 A A 10 0.259 4.318 0.973 1.00 0.22 N ATOM 307 C5 A A 10 -0.573 3.582 0.125 1.00 0.21 C ATOM 308 C6 A A 10 -1.173 2.337 0.258 1.00 0.21 C ATOM 309 N6 A A 10 -0.996 1.580 1.338 1.00 0.23 N ATOM 310 N1 A A 10 -1.942 1.903 -0.766 1.00 0.21 N ATOM 311 C2 A A 10 -2.099 2.664 -1.857 1.00 0.21 C ATOM 312 N3 A A 10 -1.571 3.861 -2.087 1.00 0.22 N ATOM 313 C4 A A 10 -0.815 4.265 -1.051 1.00 0.21 C ATOM 0 H5' A A 10 2.821 8.985 -0.413 1.00 0.31 H new ATOM 0 H5'' A A 10 1.538 9.946 0.294 1.00 0.31 H new ATOM 0 H4' A A 10 1.031 9.360 -1.973 1.00 0.28 H new ATOM 0 H3' A A 10 -0.706 8.258 0.244 1.00 0.24 H new ATOM 0 H2' A A 10 -2.074 7.028 -1.302 1.00 0.24 H new ATOM 0 HO2' A A 10 -1.639 9.069 -2.852 1.00 0.28 H new ATOM 0 H1' A A 10 -0.099 6.080 -2.939 1.00 0.26 H new ATOM 0 H8 A A 10 1.061 6.162 0.624 1.00 0.23 H new ATOM 0 H61 A A 10 -1.452 0.670 1.403 1.00 0.23 H new ATOM 0 H62 A A 10 -0.404 1.910 2.101 1.00 0.23 H new ATOM 0 H2 A A 10 -2.726 2.259 -2.638 1.00 0.21 H new ATOM 325 P C A 11 -1.765 10.526 0.430 1.00 0.27 P ATOM 326 OP1 C A 11 -1.803 11.984 0.185 1.00 0.32 O ATOM 327 OP2 C A 11 -1.011 9.990 1.587 1.00 0.33 O ATOM 328 O5' C A 11 -3.281 9.992 0.534 1.00 0.26 O ATOM 329 C5' C A 11 -4.175 10.151 -0.571 1.00 0.28 C ATOM 330 C4' C A 11 -4.740 8.814 -1.042 1.00 0.24 C ATOM 331 O4' C A 11 -3.724 7.788 -1.071 1.00 0.21 O ATOM 332 C3' C A 11 -5.816 8.294 -0.117 1.00 0.24 C ATOM 333 O3' C A 11 -7.099 8.841 -0.448 1.00 0.30 O ATOM 334 C2' C A 11 -5.771 6.809 -0.337 1.00 0.22 C ATOM 335 O2' C A 11 -6.634 6.423 -1.411 1.00 0.27 O ATOM 336 C1' C A 11 -4.317 6.525 -0.676 1.00 0.19 C ATOM 337 N1 C A 11 -3.618 5.913 0.478 1.00 0.17 N ATOM 338 C2 C A 11 -3.933 4.595 0.773 1.00 0.17 C ATOM 339 O2 C A 11 -4.772 4.001 0.104 1.00 0.21 O ATOM 340 N3 C A 11 -3.296 3.990 1.811 1.00 0.18 N ATOM 341 C4 C A 11 -2.383 4.652 2.532 1.00 0.20 C ATOM 342 N4 C A 11 -1.766 4.020 3.528 1.00 0.24 N ATOM 343 C5 C A 11 -2.053 6.014 2.235 1.00 0.21 C ATOM 344 C6 C A 11 -2.692 6.604 1.205 1.00 0.19 C ATOM 0 H5' C A 11 -3.651 10.634 -1.395 1.00 0.28 H new ATOM 0 H5'' C A 11 -4.994 10.810 -0.284 1.00 0.28 H new ATOM 0 H4' C A 11 -5.140 9.011 -2.037 1.00 0.24 H new ATOM 0 H3' C A 11 -5.655 8.571 0.925 1.00 0.24 H new ATOM 0 H2' C A 11 -6.112 6.249 0.534 1.00 0.22 H new ATOM 0 HO2' C A 11 -7.264 7.149 -1.602 1.00 0.27 H new ATOM 0 H1' C A 11 -4.232 5.805 -1.490 1.00 0.19 H new ATOM 0 H41 C A 11 -1.068 4.509 4.088 1.00 0.24 H new ATOM 0 H42 C A 11 -1.992 3.046 3.732 1.00 0.24 H new ATOM 0 H5 C A 11 -1.317 6.550 2.816 1.00 0.21 H new ATOM 0 H6 C A 11 -2.470 7.630 0.953 1.00 0.19 H new ATOM 356 P C A 12 -7.758 10.005 0.452 1.00 0.33 P ATOM 357 OP1 C A 12 -8.250 11.069 -0.453 1.00 0.40 O ATOM 358 OP2 C A 12 -6.817 10.338 1.544 1.00 0.36 O ATOM 359 O5' C A 12 -9.033 9.260 1.096 1.00 0.40 O ATOM 360 C5' C A 12 -10.057 8.710 0.257 1.00 0.45 C ATOM 361 C4' C A 12 -10.434 7.295 0.683 1.00 0.45 C ATOM 362 O4' C A 12 -9.289 6.420 0.664 1.00 0.39 O ATOM 363 C3' C A 12 -10.994 7.278 2.093 1.00 0.51 C ATOM 364 O3' C A 12 -12.425 7.287 2.085 1.00 0.63 O ATOM 365 C2' C A 12 -10.457 6.020 2.723 1.00 0.46 C ATOM 366 O2' C A 12 -11.465 5.004 2.775 1.00 0.53 O ATOM 367 C1' C A 12 -9.297 5.581 1.842 1.00 0.36 C ATOM 368 N1 C A 12 -8.014 5.682 2.568 1.00 0.31 N ATOM 369 C2 C A 12 -7.586 4.567 3.276 1.00 0.28 C ATOM 370 O2 C A 12 -8.285 3.558 3.325 1.00 0.30 O ATOM 371 N3 C A 12 -6.388 4.627 3.915 1.00 0.27 N ATOM 372 C4 C A 12 -5.639 5.735 3.864 1.00 0.29 C ATOM 373 N4 C A 12 -4.465 5.758 4.491 1.00 0.32 N ATOM 374 C5 C A 12 -6.076 6.889 3.141 1.00 0.31 C ATOM 375 C6 C A 12 -7.264 6.819 2.512 1.00 0.32 C ATOM 0 H5' C A 12 -9.714 8.700 -0.777 1.00 0.45 H new ATOM 0 H5'' C A 12 -10.940 9.349 0.293 1.00 0.45 H new ATOM 0 H4' C A 12 -11.185 6.950 -0.028 1.00 0.45 H new ATOM 0 H3' C A 12 -10.697 8.165 2.653 1.00 0.51 H new ATOM 0 H2' C A 12 -10.138 6.194 3.751 1.00 0.46 H new ATOM 0 HO2' C A 12 -12.327 5.384 2.503 1.00 0.53 H new ATOM 0 HO3' C A 12 -12.757 7.274 3.007 1.00 0.63 H new ATOM 0 H1' C A 12 -9.421 4.536 1.557 1.00 0.36 H new ATOM 0 H41 C A 12 -3.886 6.597 4.459 1.00 0.32 H new ATOM 0 H42 C A 12 -4.145 4.937 5.004 1.00 0.32 H new ATOM 0 H5 C A 12 -5.474 7.785 3.101 1.00 0.31 H new ATOM 0 H6 C A 12 -7.627 7.672 1.958 1.00 0.32 H new TER 388 C A 12