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 -13:sc= 0.47 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 C O2' : rot -16:sc= 0.174 USER MOD Single : A 3 A O2' : rot -25:sc= 0.257 USER MOD Single : A 4 G O2' : rot -22:sc= 0.136 USER MOD Single : A 5 U O2' : rot -26:sc= 0.122 USER MOD Single : A 6 G O2' : rot -127:sc= 1.02 USER MOD Single : A 7 G O2' : rot -28:sc= 0.0342 USER MOD Single : A 8 C O2' : rot -26:sc= 0.129 USER MOD Single : A 8 C O3' : rot -167:sc= 1.05 USER MOD Single : B 101 G O2' : rot -13:sc= 0.244 USER MOD Single : B 101 G O5' : rot 180:sc= 0 USER MOD Single : B 102 C O2' : rot -120:sc= 0.299 USER MOD Single : B 103 C O2' : rot -20:sc= 0.143 USER MOD Single : B 104 A O2' : rot -25:sc= 0.368 USER MOD Single : B 106 DT C7 :methyl 150:sc= -0.0364 (180deg=-0.0364) USER MOD Single : B 108 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.794 -10.919 -9.724 1.00 0.00 O ATOM 2 C5' G A 1 -4.812 -11.903 -8.704 1.00 0.00 C ATOM 3 C4' G A 1 -6.095 -12.746 -8.768 1.00 0.00 C ATOM 4 O4' G A 1 -6.006 -13.897 -7.936 1.00 0.00 O ATOM 5 C3' G A 1 -7.312 -11.937 -8.316 1.00 0.00 C ATOM 6 O3' G A 1 -8.170 -11.646 -9.403 1.00 0.00 O ATOM 7 C2' G A 1 -8.032 -12.884 -7.359 1.00 0.00 C ATOM 8 O2' G A 1 -8.943 -13.651 -8.127 1.00 0.00 O ATOM 9 C1' G A 1 -6.923 -13.792 -6.851 1.00 0.00 C ATOM 10 N9 G A 1 -6.271 -13.294 -5.618 1.00 0.00 N ATOM 11 C8 G A 1 -4.935 -13.081 -5.398 1.00 0.00 C ATOM 12 N7 G A 1 -4.620 -12.903 -4.148 1.00 0.00 N ATOM 13 C5 G A 1 -5.838 -12.959 -3.484 1.00 0.00 C ATOM 14 C6 G A 1 -6.126 -12.856 -2.084 1.00 0.00 C ATOM 15 O6 G A 1 -5.325 -12.772 -1.148 1.00 0.00 O ATOM 16 N1 G A 1 -7.489 -12.895 -1.822 1.00 0.00 N ATOM 17 C2 G A 1 -8.459 -13.088 -2.783 1.00 0.00 C ATOM 18 N2 G A 1 -9.734 -13.086 -2.405 1.00 0.00 N ATOM 19 N3 G A 1 -8.194 -13.281 -4.083 1.00 0.00 N ATOM 20 C4 G A 1 -6.863 -13.177 -4.378 1.00 0.00 C ATOM 0 H5' G A 1 -4.738 -11.421 -7.729 1.00 0.00 H new ATOM 0 H5'' G A 1 -3.942 -12.552 -8.805 1.00 0.00 H new ATOM 0 H4' G A 1 -6.210 -13.049 -9.809 1.00 0.00 H new ATOM 0 H3' G A 1 -7.026 -10.982 -7.874 1.00 0.00 H new ATOM 0 H2' G A 1 -8.570 -12.384 -6.554 1.00 0.00 H new ATOM 0 HO2' G A 1 -9.038 -13.251 -9.017 1.00 0.00 H new ATOM 0 HO5' G A 1 -3.968 -10.396 -9.659 1.00 0.00 H new ATOM 0 H1' G A 1 -7.323 -14.762 -6.554 1.00 0.00 H new ATOM 0 H8 G A 1 -4.206 -13.062 -6.194 1.00 0.00 H new ATOM 0 H1 G A 1 -7.793 -12.773 -0.856 1.00 0.00 H new ATOM 0 H21 G A 1 -10.471 -13.227 -3.096 1.00 0.00 H new ATOM 0 H22 G A 1 -9.975 -12.944 -1.424 1.00 0.00 H new ATOM 33 P C A 2 -9.291 -10.528 -9.290 1.00 0.00 P ATOM 34 OP1 C A 2 -10.575 -11.194 -9.606 1.00 0.00 O ATOM 35 OP2 C A 2 -8.840 -9.431 -10.159 1.00 0.00 O ATOM 36 O5' C A 2 -9.331 -10.073 -7.755 1.00 0.00 O ATOM 37 C5' C A 2 -10.554 -9.674 -7.162 1.00 0.00 C ATOM 38 C4' C A 2 -10.479 -9.475 -5.645 1.00 0.00 C ATOM 39 O4' C A 2 -9.723 -10.478 -4.947 1.00 0.00 O ATOM 40 C3' C A 2 -9.948 -8.118 -5.196 1.00 0.00 C ATOM 41 O3' C A 2 -10.915 -7.078 -5.190 1.00 0.00 O ATOM 42 C2' C A 2 -9.650 -8.476 -3.752 1.00 0.00 C ATOM 43 O2' C A 2 -10.888 -8.497 -3.055 1.00 0.00 O ATOM 44 C1' C A 2 -9.092 -9.879 -3.798 1.00 0.00 C ATOM 45 N1 C A 2 -7.601 -9.809 -3.891 1.00 0.00 N ATOM 46 C2 C A 2 -6.843 -9.634 -2.717 1.00 0.00 C ATOM 47 O2 C A 2 -7.349 -9.686 -1.594 1.00 0.00 O ATOM 48 N3 C A 2 -5.492 -9.444 -2.811 1.00 0.00 N ATOM 49 C4 C A 2 -4.904 -9.435 -4.013 1.00 0.00 C ATOM 50 N4 C A 2 -3.591 -9.284 -4.078 1.00 0.00 N ATOM 51 C5 C A 2 -5.639 -9.651 -5.223 1.00 0.00 C ATOM 52 C6 C A 2 -6.978 -9.816 -5.113 1.00 0.00 C ATOM 0 H5' C A 2 -11.314 -10.424 -7.382 1.00 0.00 H new ATOM 0 H5'' C A 2 -10.882 -8.743 -7.624 1.00 0.00 H new ATOM 0 H4' C A 2 -11.533 -9.554 -5.377 1.00 0.00 H new ATOM 0 H3' C A 2 -9.148 -7.740 -5.832 1.00 0.00 H new ATOM 0 H2' C A 2 -8.964 -7.781 -3.269 1.00 0.00 H new ATOM 0 HO2' C A 2 -11.572 -8.042 -3.589 1.00 0.00 H new ATOM 0 H1' C A 2 -9.295 -10.478 -2.911 1.00 0.00 H new ATOM 0 H41 C A 2 -3.123 -9.274 -4.984 1.00 0.00 H new ATOM 0 H42 C A 2 -3.047 -9.177 -3.222 1.00 0.00 H new ATOM 0 H5 C A 2 -5.146 -9.681 -6.183 1.00 0.00 H new ATOM 0 H6 C A 2 -7.568 -9.956 -6.006 1.00 0.00 H new ATOM 64 P A A 3 -10.468 -5.548 -4.995 1.00 0.00 P ATOM 65 OP1 A A 3 -11.706 -4.743 -4.964 1.00 0.00 O ATOM 66 OP2 A A 3 -9.433 -5.256 -6.002 1.00 0.00 O ATOM 67 O5' A A 3 -9.802 -5.502 -3.543 1.00 0.00 O ATOM 68 C5' A A 3 -10.619 -5.471 -2.393 1.00 0.00 C ATOM 69 C4' A A 3 -9.882 -5.868 -1.109 1.00 0.00 C ATOM 70 O4' A A 3 -8.949 -6.931 -1.219 1.00 0.00 O ATOM 71 C3' A A 3 -9.131 -4.693 -0.502 1.00 0.00 C ATOM 72 O3' A A 3 -9.990 -3.854 0.243 1.00 0.00 O ATOM 73 C2' A A 3 -8.185 -5.437 0.430 1.00 0.00 C ATOM 74 O2' A A 3 -8.927 -5.828 1.574 1.00 0.00 O ATOM 75 C1' A A 3 -7.805 -6.636 -0.425 1.00 0.00 C ATOM 76 N9 A A 3 -6.636 -6.302 -1.272 1.00 0.00 N ATOM 77 C8 A A 3 -6.573 -6.046 -2.623 1.00 0.00 C ATOM 78 N7 A A 3 -5.371 -5.781 -3.065 1.00 0.00 N ATOM 79 C5 A A 3 -4.591 -5.837 -1.911 1.00 0.00 C ATOM 80 C6 A A 3 -3.217 -5.641 -1.666 1.00 0.00 C ATOM 81 N6 A A 3 -2.370 -5.355 -2.647 1.00 0.00 N ATOM 82 N1 A A 3 -2.739 -5.760 -0.414 1.00 0.00 N ATOM 83 C2 A A 3 -3.595 -6.057 0.565 1.00 0.00 C ATOM 84 N3 A A 3 -4.904 -6.282 0.470 1.00 0.00 N ATOM 85 C4 A A 3 -5.350 -6.149 -0.812 1.00 0.00 C ATOM 0 H5' A A 3 -11.465 -6.143 -2.540 1.00 0.00 H new ATOM 0 H5'' A A 3 -11.026 -4.467 -2.273 1.00 0.00 H new ATOM 0 H4' A A 3 -10.701 -6.213 -0.478 1.00 0.00 H new ATOM 0 H3' A A 3 -8.658 -4.035 -1.231 1.00 0.00 H new ATOM 0 H2' A A 3 -7.319 -4.880 0.786 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.691 -5.225 1.690 1.00 0.00 H new ATOM 0 H1' A A 3 -7.522 -7.497 0.181 1.00 0.00 H new ATOM 0 H8 A A 3 -7.442 -6.063 -3.264 1.00 0.00 H new ATOM 0 H61 A A 3 -1.380 -5.218 -2.442 1.00 0.00 H new ATOM 0 H62 A A 3 -2.709 -5.272 -3.605 1.00 0.00 H new ATOM 0 H2 A A 3 -3.174 -6.123 1.557 1.00 0.00 H new ATOM 97 P G A 4 -9.514 -2.395 0.649 1.00 0.00 P ATOM 98 OP1 G A 4 -10.635 -1.818 1.417 1.00 0.00 O ATOM 99 OP2 G A 4 -9.031 -1.729 -0.570 1.00 0.00 O ATOM 100 O5' G A 4 -8.270 -2.656 1.594 1.00 0.00 O ATOM 101 C5' G A 4 -8.379 -2.888 2.972 1.00 0.00 C ATOM 102 C4' G A 4 -7.026 -3.279 3.589 1.00 0.00 C ATOM 103 O4' G A 4 -6.194 -4.024 2.708 1.00 0.00 O ATOM 104 C3' G A 4 -6.237 -2.045 4.034 1.00 0.00 C ATOM 105 O3' G A 4 -6.569 -1.656 5.365 1.00 0.00 O ATOM 106 C2' G A 4 -4.808 -2.568 3.937 1.00 0.00 C ATOM 107 O2' G A 4 -4.494 -3.344 5.079 1.00 0.00 O ATOM 108 C1' G A 4 -4.874 -3.488 2.728 1.00 0.00 C ATOM 109 N9 G A 4 -4.528 -2.808 1.455 1.00 0.00 N ATOM 110 C8 G A 4 -5.341 -2.414 0.429 1.00 0.00 C ATOM 111 N7 G A 4 -4.712 -2.007 -0.646 1.00 0.00 N ATOM 112 C5 G A 4 -3.362 -2.138 -0.303 1.00 0.00 C ATOM 113 C6 G A 4 -2.160 -1.902 -1.063 1.00 0.00 C ATOM 114 O6 G A 4 -2.035 -1.606 -2.260 1.00 0.00 O ATOM 115 N1 G A 4 -1.009 -2.056 -0.294 1.00 0.00 N ATOM 116 C2 G A 4 -1.010 -2.461 1.024 1.00 0.00 C ATOM 117 N2 G A 4 0.137 -2.527 1.682 1.00 0.00 N ATOM 118 N3 G A 4 -2.110 -2.771 1.717 1.00 0.00 N ATOM 119 C4 G A 4 -3.253 -2.575 1.002 1.00 0.00 C ATOM 0 H5' G A 4 -9.104 -3.682 3.152 1.00 0.00 H new ATOM 0 H5'' G A 4 -8.758 -1.992 3.463 1.00 0.00 H new ATOM 0 H4' G A 4 -7.284 -3.906 4.442 1.00 0.00 H new ATOM 0 H3' G A 4 -6.430 -1.150 3.443 1.00 0.00 H new ATOM 0 H2' G A 4 -4.065 -1.774 3.863 1.00 0.00 H new ATOM 0 HO2' G A 4 -5.092 -3.099 5.816 1.00 0.00 H new ATOM 0 H1' G A 4 -4.127 -4.277 2.816 1.00 0.00 H new ATOM 0 H8 G A 4 -6.418 -2.436 0.499 1.00 0.00 H new ATOM 0 H1 G A 4 -0.110 -1.857 -0.733 1.00 0.00 H new ATOM 0 H21 G A 4 0.149 -2.825 2.657 1.00 0.00 H new ATOM 0 H22 G A 4 1.009 -2.280 1.214 1.00 0.00 H new ATOM 131 P U A 5 -6.178 -0.211 5.920 1.00 0.00 P ATOM 132 OP1 U A 5 -6.805 -0.048 7.251 1.00 0.00 O ATOM 133 OP2 U A 5 -6.505 0.763 4.860 1.00 0.00 O ATOM 134 O5' U A 5 -4.599 -0.228 6.115 1.00 0.00 O ATOM 135 C5' U A 5 -3.949 -0.820 7.222 1.00 0.00 C ATOM 136 C4' U A 5 -2.429 -0.865 6.985 1.00 0.00 C ATOM 137 O4' U A 5 -2.104 -1.412 5.705 1.00 0.00 O ATOM 138 C3' U A 5 -1.731 0.495 7.072 1.00 0.00 C ATOM 139 O3' U A 5 -1.412 0.860 8.409 1.00 0.00 O ATOM 140 C2' U A 5 -0.466 0.196 6.263 1.00 0.00 C ATOM 141 O2' U A 5 0.466 -0.534 7.053 1.00 0.00 O ATOM 142 C1' U A 5 -0.989 -0.710 5.150 1.00 0.00 C ATOM 143 N1 U A 5 -1.331 0.033 3.904 1.00 0.00 N ATOM 144 C2 U A 5 -0.305 0.290 2.987 1.00 0.00 C ATOM 145 O2 U A 5 0.893 0.182 3.270 1.00 0.00 O ATOM 146 N3 U A 5 -0.704 0.682 1.719 1.00 0.00 N ATOM 147 C4 U A 5 -2.007 0.922 1.319 1.00 0.00 C ATOM 148 O4 U A 5 -2.274 1.154 0.146 1.00 0.00 O ATOM 149 C5 U A 5 -2.978 0.807 2.372 1.00 0.00 C ATOM 150 C6 U A 5 -2.626 0.366 3.597 1.00 0.00 C ATOM 0 H5' U A 5 -4.330 -1.829 7.379 1.00 0.00 H new ATOM 0 H5'' U A 5 -4.167 -0.252 8.127 1.00 0.00 H new ATOM 0 H4' U A 5 -2.069 -1.498 7.796 1.00 0.00 H new ATOM 0 H3' U A 5 -2.332 1.331 6.713 1.00 0.00 H new ATOM 0 H2' U A 5 0.041 1.095 5.913 1.00 0.00 H new ATOM 0 HO2' U A 5 0.314 -0.340 8.001 1.00 0.00 H new ATOM 0 H1' U A 5 -0.216 -1.406 4.824 1.00 0.00 H new ATOM 0 H3 U A 5 0.027 0.804 1.019 1.00 0.00 H new ATOM 0 H5 U A 5 -4.006 1.078 2.179 1.00 0.00 H new ATOM 0 H6 U A 5 -3.386 0.272 4.359 1.00 0.00 H new ATOM 161 P G A 6 -1.007 2.353 8.769 1.00 0.00 P ATOM 162 OP1 G A 6 -0.291 2.339 10.063 1.00 0.00 O ATOM 163 OP2 G A 6 -2.233 3.161 8.694 1.00 0.00 O ATOM 164 O5' G A 6 -0.004 2.903 7.662 1.00 0.00 O ATOM 165 C5' G A 6 1.388 2.690 7.763 1.00 0.00 C ATOM 166 C4' G A 6 2.141 3.464 6.684 1.00 0.00 C ATOM 167 O4' G A 6 2.047 2.834 5.412 1.00 0.00 O ATOM 168 C3' G A 6 1.624 4.886 6.453 1.00 0.00 C ATOM 169 O3' G A 6 2.009 5.825 7.450 1.00 0.00 O ATOM 170 C2' G A 6 2.327 5.150 5.123 1.00 0.00 C ATOM 171 O2' G A 6 3.696 5.486 5.318 1.00 0.00 O ATOM 172 C1' G A 6 2.226 3.819 4.393 1.00 0.00 C ATOM 173 N9 G A 6 1.108 3.834 3.417 1.00 0.00 N ATOM 174 C8 G A 6 -0.207 3.501 3.609 1.00 0.00 C ATOM 175 N7 G A 6 -0.957 3.662 2.558 1.00 0.00 N ATOM 176 C5 G A 6 -0.079 4.092 1.575 1.00 0.00 C ATOM 177 C6 G A 6 -0.317 4.373 0.192 1.00 0.00 C ATOM 178 O6 G A 6 -1.373 4.353 -0.439 1.00 0.00 O ATOM 179 N1 G A 6 0.843 4.724 -0.478 1.00 0.00 N ATOM 180 C2 G A 6 2.088 4.796 0.101 1.00 0.00 C ATOM 181 N2 G A 6 3.109 5.082 -0.698 1.00 0.00 N ATOM 182 N3 G A 6 2.332 4.577 1.410 1.00 0.00 N ATOM 183 C4 G A 6 1.198 4.204 2.090 1.00 0.00 C ATOM 0 H5' G A 6 1.604 1.626 7.670 1.00 0.00 H new ATOM 0 H5'' G A 6 1.736 3.001 8.748 1.00 0.00 H new ATOM 0 H4' G A 6 3.161 3.488 7.068 1.00 0.00 H new ATOM 0 H3' G A 6 0.539 4.984 6.472 1.00 0.00 H new ATOM 0 H2' G A 6 1.880 5.983 4.581 1.00 0.00 H new ATOM 0 HO2' G A 6 3.895 6.329 4.859 1.00 0.00 H new ATOM 0 H1' G A 6 3.118 3.604 3.805 1.00 0.00 H new ATOM 0 H8 G A 6 -0.588 3.136 4.551 1.00 0.00 H new ATOM 0 H1 G A 6 0.769 4.945 -1.471 1.00 0.00 H new ATOM 0 H21 G A 6 4.053 5.147 -0.316 1.00 0.00 H new ATOM 0 H22 G A 6 2.950 5.237 -1.693 1.00 0.00 H new ATOM 195 P G A 7 1.454 7.323 7.455 1.00 0.00 P ATOM 196 OP1 G A 7 2.149 8.022 8.559 1.00 0.00 O ATOM 197 OP2 G A 7 -0.021 7.342 7.386 1.00 0.00 O ATOM 198 O5' G A 7 2.013 7.896 6.081 1.00 0.00 O ATOM 199 C5' G A 7 3.161 8.695 6.086 1.00 0.00 C ATOM 200 C4' G A 7 3.753 8.988 4.715 1.00 0.00 C ATOM 201 O4' G A 7 3.661 7.856 3.858 1.00 0.00 O ATOM 202 C3' G A 7 3.137 10.170 3.966 1.00 0.00 C ATOM 203 O3' G A 7 3.635 11.468 4.266 1.00 0.00 O ATOM 204 C2' G A 7 3.484 9.786 2.528 1.00 0.00 C ATOM 205 O2' G A 7 4.856 9.997 2.227 1.00 0.00 O ATOM 206 C1' G A 7 3.244 8.279 2.563 1.00 0.00 C ATOM 207 N9 G A 7 1.829 7.963 2.251 1.00 0.00 N ATOM 208 C8 G A 7 0.770 7.719 3.087 1.00 0.00 C ATOM 209 N7 G A 7 -0.366 7.564 2.473 1.00 0.00 N ATOM 210 C5 G A 7 -0.050 7.696 1.129 1.00 0.00 C ATOM 211 C6 G A 7 -0.890 7.654 -0.028 1.00 0.00 C ATOM 212 O6 G A 7 -2.109 7.513 -0.081 1.00 0.00 O ATOM 213 N1 G A 7 -0.177 7.833 -1.204 1.00 0.00 N ATOM 214 C2 G A 7 1.158 8.168 -1.257 1.00 0.00 C ATOM 215 N2 G A 7 1.637 8.649 -2.393 1.00 0.00 N ATOM 216 N3 G A 7 1.956 8.239 -0.178 1.00 0.00 N ATOM 217 C4 G A 7 1.294 7.956 0.984 1.00 0.00 C ATOM 0 H5' G A 7 3.921 8.207 6.695 1.00 0.00 H new ATOM 0 H5'' G A 7 2.923 9.642 6.571 1.00 0.00 H new ATOM 0 H4' G A 7 4.786 9.247 4.946 1.00 0.00 H new ATOM 0 H3' G A 7 2.085 10.290 4.224 1.00 0.00 H new ATOM 0 H2' G A 7 2.917 10.359 1.795 1.00 0.00 H new ATOM 0 HO2' G A 7 5.207 10.720 2.789 1.00 0.00 H new ATOM 0 H1' G A 7 3.811 7.742 1.803 1.00 0.00 H new ATOM 0 H8 G A 7 0.870 7.661 4.161 1.00 0.00 H new ATOM 0 H1 G A 7 -0.673 7.709 -2.086 1.00 0.00 H new ATOM 0 H21 G A 7 2.622 8.906 -2.463 1.00 0.00 H new ATOM 0 H22 G A 7 1.022 8.763 -3.198 1.00 0.00 H new ATOM 229 P C A 8 3.335 12.202 5.658 1.00 0.00 P ATOM 230 OP1 C A 8 3.553 13.639 5.424 1.00 0.00 O ATOM 231 OP2 C A 8 4.125 11.549 6.722 1.00 0.00 O ATOM 232 O5' C A 8 1.781 11.944 5.916 1.00 0.00 O ATOM 233 C5' C A 8 0.798 12.574 5.119 1.00 0.00 C ATOM 234 C4' C A 8 -0.603 11.971 5.297 1.00 0.00 C ATOM 235 O4' C A 8 -1.453 12.465 4.268 1.00 0.00 O ATOM 236 C3' C A 8 -0.707 10.440 5.270 1.00 0.00 C ATOM 237 O3' C A 8 -0.629 9.934 6.591 1.00 0.00 O ATOM 238 C2' C A 8 -2.072 10.212 4.621 1.00 0.00 C ATOM 239 O2' C A 8 -3.111 10.333 5.578 1.00 0.00 O ATOM 240 C1' C A 8 -2.194 11.403 3.665 1.00 0.00 C ATOM 241 N1 C A 8 -1.787 11.153 2.251 1.00 0.00 N ATOM 242 C2 C A 8 -2.779 11.144 1.258 1.00 0.00 C ATOM 243 O2 C A 8 -3.976 11.269 1.537 1.00 0.00 O ATOM 244 N3 C A 8 -2.406 11.029 -0.050 1.00 0.00 N ATOM 245 C4 C A 8 -1.122 10.938 -0.389 1.00 0.00 C ATOM 246 N4 C A 8 -0.826 10.810 -1.677 1.00 0.00 N ATOM 247 C5 C A 8 -0.081 10.985 0.593 1.00 0.00 C ATOM 248 C6 C A 8 -0.463 11.075 1.893 1.00 0.00 C ATOM 0 H5' C A 8 1.088 12.500 4.071 1.00 0.00 H new ATOM 0 H5'' C A 8 0.764 13.635 5.367 1.00 0.00 H new ATOM 0 H4' C A 8 -0.893 12.274 6.303 1.00 0.00 H new ATOM 0 H3' C A 8 0.090 9.932 4.727 1.00 0.00 H new ATOM 0 H2' C A 8 -2.150 9.228 4.159 1.00 0.00 H new ATOM 0 HO2' C A 8 -2.762 10.120 6.469 1.00 0.00 H new ATOM 0 HO3' C A 8 -0.491 8.964 6.562 1.00 0.00 H new ATOM 0 H1' C A 8 -3.250 11.647 3.545 1.00 0.00 H new ATOM 0 H41 C A 8 0.148 10.738 -1.972 1.00 0.00 H new ATOM 0 H42 C A 8 -1.572 10.784 -2.372 1.00 0.00 H new ATOM 0 H5 C A 8 0.961 10.950 0.312 1.00 0.00 H new ATOM 0 H6 C A 8 0.293 11.086 2.664 1.00 0.00 H new TER 261 C A 8 ATOM 262 O5' G B 101 -9.570 11.658 -7.025 1.00 0.00 O ATOM 263 C5' G B 101 -8.355 12.086 -6.451 1.00 0.00 C ATOM 264 C4' G B 101 -7.290 12.304 -7.534 1.00 0.00 C ATOM 265 O4' G B 101 -6.482 13.406 -7.134 1.00 0.00 O ATOM 266 C3' G B 101 -6.368 11.093 -7.766 1.00 0.00 C ATOM 267 O3' G B 101 -6.465 10.534 -9.073 1.00 0.00 O ATOM 268 C2' G B 101 -4.986 11.723 -7.602 1.00 0.00 C ATOM 269 O2' G B 101 -4.614 12.230 -8.869 1.00 0.00 O ATOM 270 C1' G B 101 -5.225 12.909 -6.687 1.00 0.00 C ATOM 271 N9 G B 101 -5.223 12.594 -5.231 1.00 0.00 N ATOM 272 C8 G B 101 -5.363 11.399 -4.559 1.00 0.00 C ATOM 273 N7 G B 101 -5.360 11.520 -3.260 1.00 0.00 N ATOM 274 C5 G B 101 -5.125 12.874 -3.042 1.00 0.00 C ATOM 275 C6 G B 101 -5.024 13.628 -1.825 1.00 0.00 C ATOM 276 O6 G B 101 -5.198 13.260 -0.664 1.00 0.00 O ATOM 277 N1 G B 101 -4.765 14.971 -2.048 1.00 0.00 N ATOM 278 C2 G B 101 -4.635 15.541 -3.291 1.00 0.00 C ATOM 279 N2 G B 101 -4.434 16.851 -3.390 1.00 0.00 N ATOM 280 N3 G B 101 -4.749 14.854 -4.435 1.00 0.00 N ATOM 281 C4 G B 101 -4.996 13.526 -4.246 1.00 0.00 C ATOM 0 H5' G B 101 -8.005 11.344 -5.734 1.00 0.00 H new ATOM 0 H5'' G B 101 -8.514 13.012 -5.899 1.00 0.00 H new ATOM 0 H4' G B 101 -7.819 12.477 -8.471 1.00 0.00 H new ATOM 0 H3' G B 101 -6.611 10.270 -7.094 1.00 0.00 H new ATOM 0 H2' G B 101 -4.230 11.035 -7.224 1.00 0.00 H new ATOM 0 HO2' G B 101 -5.214 11.869 -9.555 1.00 0.00 H new ATOM 0 HO5' G B 101 -10.236 11.523 -6.319 1.00 0.00 H new ATOM 0 H1' G B 101 -4.412 13.632 -6.755 1.00 0.00 H new ATOM 0 H8 G B 101 -5.466 10.449 -5.062 1.00 0.00 H new ATOM 0 H1 G B 101 -4.664 15.577 -1.234 1.00 0.00 H new ATOM 0 H21 G B 101 -4.336 17.284 -4.308 1.00 0.00 H new ATOM 0 H22 G B 101 -4.378 17.423 -2.548 1.00 0.00 H new ATOM 294 P C B 102 -6.014 9.024 -9.351 1.00 0.00 P ATOM 295 OP1 C B 102 -6.134 8.742 -10.794 1.00 0.00 O ATOM 296 OP2 C B 102 -6.756 8.161 -8.408 1.00 0.00 O ATOM 297 O5' C B 102 -4.467 8.971 -8.969 1.00 0.00 O ATOM 298 C5' C B 102 -3.472 9.438 -9.868 1.00 0.00 C ATOM 299 C4' C B 102 -2.092 9.555 -9.218 1.00 0.00 C ATOM 300 O4' C B 102 -2.103 10.209 -7.955 1.00 0.00 O ATOM 301 C3' C B 102 -1.508 8.168 -9.013 1.00 0.00 C ATOM 302 O3' C B 102 -0.887 7.737 -10.209 1.00 0.00 O ATOM 303 C2' C B 102 -0.498 8.455 -7.918 1.00 0.00 C ATOM 304 O2' C B 102 0.695 8.944 -8.494 1.00 0.00 O ATOM 305 C1' C B 102 -1.184 9.542 -7.099 1.00 0.00 C ATOM 306 N1 C B 102 -1.858 8.995 -5.887 1.00 0.00 N ATOM 307 C2 C B 102 -1.169 9.030 -4.673 1.00 0.00 C ATOM 308 O2 C B 102 0.008 9.395 -4.605 1.00 0.00 O ATOM 309 N3 C B 102 -1.800 8.672 -3.523 1.00 0.00 N ATOM 310 C4 C B 102 -3.062 8.223 -3.556 1.00 0.00 C ATOM 311 N4 C B 102 -3.627 7.845 -2.424 1.00 0.00 N ATOM 312 C5 C B 102 -3.775 8.113 -4.790 1.00 0.00 C ATOM 313 C6 C B 102 -3.139 8.499 -5.922 1.00 0.00 C ATOM 0 H5' C B 102 -3.769 10.412 -10.257 1.00 0.00 H new ATOM 0 H5'' C B 102 -3.411 8.760 -10.719 1.00 0.00 H new ATOM 0 H4' C B 102 -1.493 10.159 -9.900 1.00 0.00 H new ATOM 0 H3' C B 102 -2.218 7.381 -8.758 1.00 0.00 H new ATOM 0 H2' C B 102 -0.226 7.582 -7.324 1.00 0.00 H new ATOM 0 HO2' C B 102 1.436 8.343 -8.271 1.00 0.00 H new ATOM 0 H1' C B 102 -0.439 10.244 -6.724 1.00 0.00 H new ATOM 0 H41 C B 102 -4.587 7.500 -2.423 1.00 0.00 H new ATOM 0 H42 C B 102 -3.104 7.898 -1.550 1.00 0.00 H new ATOM 0 H5 C B 102 -4.786 7.735 -4.819 1.00 0.00 H new ATOM 0 H6 C B 102 -3.649 8.415 -6.870 1.00 0.00 H new ATOM 325 P C B 103 -0.520 6.216 -10.455 1.00 0.00 P ATOM 326 OP1 C B 103 0.043 6.178 -11.825 1.00 0.00 O ATOM 327 OP2 C B 103 -1.733 5.443 -10.127 1.00 0.00 O ATOM 328 O5' C B 103 0.620 5.878 -9.392 1.00 0.00 O ATOM 329 C5' C B 103 1.989 5.898 -9.747 1.00 0.00 C ATOM 330 C4' C B 103 2.901 5.787 -8.522 1.00 0.00 C ATOM 331 O4' C B 103 2.462 6.679 -7.496 1.00 0.00 O ATOM 332 C3' C B 103 3.042 4.408 -7.852 1.00 0.00 C ATOM 333 O3' C B 103 3.976 3.531 -8.472 1.00 0.00 O ATOM 334 C2' C B 103 3.591 4.876 -6.506 1.00 0.00 C ATOM 335 O2' C B 103 4.955 5.231 -6.663 1.00 0.00 O ATOM 336 C1' C B 103 2.746 6.108 -6.217 1.00 0.00 C ATOM 337 N1 C B 103 1.522 5.732 -5.440 1.00 0.00 N ATOM 338 C2 C B 103 1.641 5.610 -4.050 1.00 0.00 C ATOM 339 O2 C B 103 2.737 5.677 -3.483 1.00 0.00 O ATOM 340 N3 C B 103 0.519 5.417 -3.299 1.00 0.00 N ATOM 341 C4 C B 103 -0.687 5.314 -3.875 1.00 0.00 C ATOM 342 N4 C B 103 -1.748 5.166 -3.094 1.00 0.00 N ATOM 343 C5 C B 103 -0.831 5.369 -5.296 1.00 0.00 C ATOM 344 C6 C B 103 0.294 5.545 -6.035 1.00 0.00 C ATOM 0 H5' C B 103 2.211 6.821 -10.282 1.00 0.00 H new ATOM 0 H5'' C B 103 2.198 5.075 -10.431 1.00 0.00 H new ATOM 0 H4' C B 103 3.876 6.026 -8.947 1.00 0.00 H new ATOM 0 H3' C B 103 2.122 3.824 -7.863 1.00 0.00 H new ATOM 0 H2' C B 103 3.545 4.130 -5.712 1.00 0.00 H new ATOM 0 HO2' C B 103 5.312 4.808 -7.472 1.00 0.00 H new ATOM 0 H1' C B 103 3.256 6.840 -5.590 1.00 0.00 H new ATOM 0 H41 C B 103 -2.677 5.085 -3.506 1.00 0.00 H new ATOM 0 H42 C B 103 -1.635 5.133 -2.081 1.00 0.00 H new ATOM 0 H5 C B 103 -1.799 5.274 -5.765 1.00 0.00 H new ATOM 0 H6 C B 103 0.225 5.538 -7.113 1.00 0.00 H new ATOM 356 P A B 104 4.113 1.993 -8.038 1.00 0.00 P ATOM 357 OP1 A B 104 4.919 1.291 -9.058 1.00 0.00 O ATOM 358 OP2 A B 104 2.786 1.438 -7.709 1.00 0.00 O ATOM 359 O5' A B 104 4.933 1.962 -6.674 1.00 0.00 O ATOM 360 C5' A B 104 6.330 2.160 -6.570 1.00 0.00 C ATOM 361 C4' A B 104 6.726 2.178 -5.084 1.00 0.00 C ATOM 362 O4' A B 104 5.887 3.047 -4.321 1.00 0.00 O ATOM 363 C3' A B 104 6.658 0.802 -4.413 1.00 0.00 C ATOM 364 O3' A B 104 7.901 0.112 -4.494 1.00 0.00 O ATOM 365 C2' A B 104 6.408 1.207 -2.963 1.00 0.00 C ATOM 366 O2' A B 104 7.666 1.525 -2.394 1.00 0.00 O ATOM 367 C1' A B 104 5.535 2.451 -3.070 1.00 0.00 C ATOM 368 N9 A B 104 4.085 2.132 -3.022 1.00 0.00 N ATOM 369 C8 A B 104 3.191 2.107 -4.060 1.00 0.00 C ATOM 370 N7 A B 104 1.958 1.855 -3.739 1.00 0.00 N ATOM 371 C5 A B 104 2.036 1.711 -2.363 1.00 0.00 C ATOM 372 C6 A B 104 1.045 1.489 -1.394 1.00 0.00 C ATOM 373 N6 A B 104 -0.234 1.379 -1.734 1.00 0.00 N ATOM 374 N1 A B 104 1.403 1.429 -0.105 1.00 0.00 N ATOM 375 C2 A B 104 2.689 1.554 0.217 1.00 0.00 C ATOM 376 N3 A B 104 3.730 1.746 -0.604 1.00 0.00 N ATOM 377 C4 A B 104 3.327 1.836 -1.906 1.00 0.00 C ATOM 0 H5' A B 104 6.613 3.099 -7.046 1.00 0.00 H new ATOM 0 H5'' A B 104 6.862 1.365 -7.092 1.00 0.00 H new ATOM 0 H4' A B 104 7.758 2.528 -5.091 1.00 0.00 H new ATOM 0 H3' A B 104 5.919 0.136 -4.859 1.00 0.00 H new ATOM 0 H2' A B 104 5.934 0.440 -2.351 1.00 0.00 H new ATOM 0 HO2' A B 104 8.373 1.050 -2.878 1.00 0.00 H new ATOM 0 H1' A B 104 5.706 3.121 -2.228 1.00 0.00 H new ATOM 0 H8 A B 104 3.493 2.286 -5.081 1.00 0.00 H new ATOM 0 H61 A B 104 -0.940 1.218 -1.016 1.00 0.00 H new ATOM 0 H62 A B 104 -0.510 1.456 -2.713 1.00 0.00 H new ATOM 0 H2 A B 104 2.921 1.493 1.270 1.00 0.00 H new ATOM 389 P DC B 105 7.963 -1.468 -4.681 1.00 0.00 P ATOM 390 OP1 DC B 105 9.381 -1.847 -4.827 1.00 0.00 O ATOM 391 OP2 DC B 105 7.025 -1.835 -5.760 1.00 0.00 O ATOM 392 O5' DC B 105 7.402 -2.089 -3.316 1.00 0.00 O ATOM 393 C5' DC B 105 8.224 -2.158 -2.161 1.00 0.00 C ATOM 394 C4' DC B 105 7.445 -2.264 -0.842 1.00 0.00 C ATOM 395 O4' DC B 105 6.504 -1.198 -0.743 1.00 0.00 O ATOM 396 C3' DC B 105 6.682 -3.565 -0.575 1.00 0.00 C ATOM 397 O3' DC B 105 7.519 -4.538 0.032 1.00 0.00 O ATOM 398 C2' DC B 105 5.651 -3.032 0.416 1.00 0.00 C ATOM 399 C1' DC B 105 5.307 -1.641 -0.108 1.00 0.00 C ATOM 400 N1 DC B 105 4.119 -1.657 -1.021 1.00 0.00 N ATOM 401 C2 DC B 105 2.842 -1.716 -0.454 1.00 0.00 C ATOM 402 O2 DC B 105 2.687 -1.764 0.768 1.00 0.00 O ATOM 403 N3 DC B 105 1.741 -1.718 -1.258 1.00 0.00 N ATOM 404 C4 DC B 105 1.871 -1.684 -2.587 1.00 0.00 C ATOM 405 N4 DC B 105 0.775 -1.590 -3.324 1.00 0.00 N ATOM 406 C5 DC B 105 3.164 -1.662 -3.204 1.00 0.00 C ATOM 407 C6 DC B 105 4.246 -1.627 -2.387 1.00 0.00 C ATOM 0 H5' DC B 105 8.858 -1.272 -2.126 1.00 0.00 H new ATOM 0 H5'' DC B 105 8.886 -3.020 -2.250 1.00 0.00 H new ATOM 0 H4' DC B 105 8.237 -2.225 -0.094 1.00 0.00 H new ATOM 0 H3' DC B 105 6.280 -4.066 -1.456 1.00 0.00 H new ATOM 0 H2' DC B 105 4.769 -3.672 0.455 1.00 0.00 H new ATOM 0 H2'' DC B 105 6.057 -2.987 1.427 1.00 0.00 H new ATOM 0 H1' DC B 105 5.003 -0.959 0.686 1.00 0.00 H new ATOM 0 H41 DC B 105 0.845 -1.562 -4.341 1.00 0.00 H new ATOM 0 H42 DC B 105 -0.140 -1.546 -2.874 1.00 0.00 H new ATOM 0 H5 DC B 105 3.273 -1.673 -4.278 1.00 0.00 H new ATOM 0 H6 DC B 105 5.233 -1.574 -2.823 1.00 0.00 H new ATOM 419 P DT B 106 7.128 -6.088 0.139 1.00 0.00 P ATOM 420 OP1 DT B 106 8.302 -6.812 0.660 1.00 0.00 O ATOM 421 OP2 DT B 106 6.534 -6.539 -1.137 1.00 0.00 O ATOM 422 O5' DT B 106 5.977 -6.225 1.231 1.00 0.00 O ATOM 423 C5' DT B 106 6.224 -6.045 2.613 1.00 0.00 C ATOM 424 C4' DT B 106 4.895 -6.035 3.380 1.00 0.00 C ATOM 425 O4' DT B 106 4.044 -4.997 2.904 1.00 0.00 O ATOM 426 C3' DT B 106 4.108 -7.331 3.247 1.00 0.00 C ATOM 427 O3' DT B 106 4.550 -8.305 4.174 1.00 0.00 O ATOM 428 C2' DT B 106 2.707 -6.823 3.538 1.00 0.00 C ATOM 429 C1' DT B 106 2.677 -5.431 2.941 1.00 0.00 C ATOM 430 N1 DT B 106 2.037 -5.475 1.592 1.00 0.00 N ATOM 431 C2 DT B 106 0.637 -5.491 1.503 1.00 0.00 C ATOM 432 O2 DT B 106 -0.097 -5.576 2.492 1.00 0.00 O ATOM 433 N3 DT B 106 0.104 -5.374 0.227 1.00 0.00 N ATOM 434 C4 DT B 106 0.833 -5.176 -0.934 1.00 0.00 C ATOM 435 O4 DT B 106 0.271 -4.943 -1.997 1.00 0.00 O ATOM 436 C5 DT B 106 2.267 -5.284 -0.772 1.00 0.00 C ATOM 437 C7 DT B 106 3.157 -5.177 -1.990 1.00 0.00 C ATOM 438 C6 DT B 106 2.808 -5.461 0.455 1.00 0.00 C ATOM 0 H5' DT B 106 6.757 -5.109 2.778 1.00 0.00 H new ATOM 0 H5'' DT B 106 6.863 -6.845 2.985 1.00 0.00 H new ATOM 0 H4' DT B 106 5.176 -5.889 4.423 1.00 0.00 H new ATOM 0 H3' DT B 106 4.204 -7.842 2.289 1.00 0.00 H new ATOM 0 H2' DT B 106 1.950 -7.465 3.087 1.00 0.00 H new ATOM 0 H2'' DT B 106 2.508 -6.800 4.609 1.00 0.00 H new ATOM 0 H1' DT B 106 2.084 -4.727 3.524 1.00 0.00 H new ATOM 0 H3 DT B 106 -0.910 -5.439 0.137 1.00 0.00 H new ATOM 0 H71 DT B 106 4.119 -4.754 -1.701 1.00 0.00 H new ATOM 0 H72 DT B 106 3.310 -6.168 -2.417 1.00 0.00 H new ATOM 0 H73 DT B 106 2.684 -4.532 -2.730 1.00 0.00 H new ATOM 0 H6 DT B 106 3.876 -5.595 0.543 1.00 0.00 H new ATOM 451 P DG B 107 4.008 -9.799 4.142 1.00 0.00 P ATOM 452 OP1 DG B 107 4.798 -10.533 5.150 1.00 0.00 O ATOM 453 OP2 DG B 107 4.053 -10.272 2.745 1.00 0.00 O ATOM 454 O5' DG B 107 2.486 -9.772 4.579 1.00 0.00 O ATOM 455 C5' DG B 107 2.040 -9.258 5.824 1.00 0.00 C ATOM 456 C4' DG B 107 0.510 -9.113 5.791 1.00 0.00 C ATOM 457 O4' DG B 107 0.096 -8.435 4.599 1.00 0.00 O ATOM 458 C3' DG B 107 -0.158 -10.490 5.755 1.00 0.00 C ATOM 459 O3' DG B 107 -1.390 -10.486 6.448 1.00 0.00 O ATOM 460 C2' DG B 107 -0.459 -10.656 4.283 1.00 0.00 C ATOM 461 C1' DG B 107 -0.840 -9.243 3.889 1.00 0.00 C ATOM 462 N9 DG B 107 -0.735 -9.136 2.414 1.00 0.00 N ATOM 463 C8 DG B 107 0.420 -9.179 1.683 1.00 0.00 C ATOM 464 N7 DG B 107 0.261 -9.090 0.389 1.00 0.00 N ATOM 465 C5 DG B 107 -1.126 -9.041 0.250 1.00 0.00 C ATOM 466 C6 DG B 107 -1.922 -8.991 -0.940 1.00 0.00 C ATOM 467 O6 DG B 107 -1.542 -8.869 -2.106 1.00 0.00 O ATOM 468 N1 DG B 107 -3.275 -9.176 -0.698 1.00 0.00 N ATOM 469 C2 DG B 107 -3.815 -9.358 0.552 1.00 0.00 C ATOM 470 N2 DG B 107 -5.118 -9.611 0.603 1.00 0.00 N ATOM 471 N3 DG B 107 -3.095 -9.334 1.694 1.00 0.00 N ATOM 472 C4 DG B 107 -1.750 -9.168 1.477 1.00 0.00 C ATOM 0 H5' DG B 107 2.505 -8.292 6.020 1.00 0.00 H new ATOM 0 H5'' DG B 107 2.337 -9.925 6.634 1.00 0.00 H new ATOM 0 H4' DG B 107 0.221 -8.557 6.683 1.00 0.00 H new ATOM 0 H3' DG B 107 0.462 -11.265 6.205 1.00 0.00 H new ATOM 0 H2' DG B 107 0.405 -11.018 3.726 1.00 0.00 H new ATOM 0 H2'' DG B 107 -1.270 -11.363 4.108 1.00 0.00 H new ATOM 0 H1' DG B 107 -1.857 -8.938 4.135 1.00 0.00 H new ATOM 0 H8 DG B 107 1.393 -9.279 2.142 1.00 0.00 H new ATOM 0 H1 DG B 107 -3.908 -9.177 -1.498 1.00 0.00 H new ATOM 0 H21 DG B 107 -5.575 -9.755 1.504 1.00 0.00 H new ATOM 0 H22 DG B 107 -5.662 -9.661 -0.258 1.00 0.00 H new ATOM 484 P DC B 108 -1.540 -10.952 7.969 1.00 0.00 P ATOM 485 OP1 DC B 108 -2.345 -9.935 8.671 1.00 0.00 O ATOM 486 OP2 DC B 108 -0.214 -11.307 8.531 1.00 0.00 O ATOM 487 O5' DC B 108 -2.412 -12.291 7.904 1.00 0.00 O ATOM 488 C5' DC B 108 -2.333 -13.182 6.811 1.00 0.00 C ATOM 489 C4' DC B 108 -3.619 -14.016 6.663 1.00 0.00 C ATOM 490 O4' DC B 108 -4.288 -13.646 5.459 1.00 0.00 O ATOM 491 C3' DC B 108 -3.285 -15.499 6.504 1.00 0.00 C ATOM 492 O3' DC B 108 -4.380 -16.340 6.829 1.00 0.00 O ATOM 493 C2' DC B 108 -3.036 -15.592 5.016 1.00 0.00 C ATOM 494 C1' DC B 108 -4.162 -14.702 4.508 1.00 0.00 C ATOM 495 N1 DC B 108 -3.805 -14.255 3.143 1.00 0.00 N ATOM 496 C2 DC B 108 -4.146 -15.059 2.060 1.00 0.00 C ATOM 497 O2 DC B 108 -4.923 -16.015 2.164 1.00 0.00 O ATOM 498 N3 DC B 108 -3.529 -14.874 0.864 1.00 0.00 N ATOM 499 C4 DC B 108 -2.623 -13.898 0.718 1.00 0.00 C ATOM 500 N4 DC B 108 -2.006 -13.811 -0.444 1.00 0.00 N ATOM 501 C5 DC B 108 -2.276 -13.028 1.803 1.00 0.00 C ATOM 502 C6 DC B 108 -2.892 -13.252 2.989 1.00 0.00 C ATOM 0 H5' DC B 108 -1.481 -13.848 6.945 1.00 0.00 H new ATOM 0 H5'' DC B 108 -2.157 -12.619 5.894 1.00 0.00 H new ATOM 0 H4' DC B 108 -4.228 -13.840 7.550 1.00 0.00 H new ATOM 0 H3' DC B 108 -2.465 -15.813 7.150 1.00 0.00 H new ATOM 0 H2' DC B 108 -2.051 -15.221 4.734 1.00 0.00 H new ATOM 0 H2'' DC B 108 -3.111 -16.614 4.643 1.00 0.00 H new ATOM 0 HO3' DC B 108 -4.119 -17.277 6.711 1.00 0.00 H new ATOM 0 H1' DC B 108 -5.129 -15.198 4.424 1.00 0.00 H new ATOM 0 H41 DC B 108 -1.309 -13.083 -0.598 1.00 0.00 H new ATOM 0 H42 DC B 108 -2.226 -14.472 -1.189 1.00 0.00 H new ATOM 0 H5 DC B 108 -1.557 -12.231 1.681 1.00 0.00 H new ATOM 0 H6 DC B 108 -2.655 -12.621 3.833 1.00 0.00 H new TER 515 DC B 108