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 -18:sc= 0.0109 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 A O2' : rot -18:sc= 0.00558 USER MOD Single : A 3 G O2' : rot -16:sc= 0.00863 USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 5 A O2' : rot -25:sc= 0.0438 USER MOD Single : A 6 C O2' : rot -25:sc= 0.0565 USER MOD Single : A 7 A O2' : rot 140:sc= 0.0728 USER MOD Single : A 8 U O2' : rot 15:sc= 0.0628 USER MOD Single : A 9 A O2' : rot 98:sc= 0.545 USER MOD Single : A 10 G O2' : rot 119:sc= 0.16 USER MOD Single : A 11 A O2' : rot -15:sc= 0.0531 USER MOD Single : A 12 U O2' : rot -19:sc= 0.018 USER MOD Single : A 13 C O2' : rot -15:sc= 0.0158 USER MOD Single : A 14 U O2' : rot -123:sc= 0.015 USER MOD Single : A 15 U O2' : rot 180:sc= 0 USER MOD Single : A 16 C O2' : rot -19:sc= 0.0167 USER MOD Single : A 16 C O3' : rot 180:sc= 0.0213 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -11.612 -2.046 9.209 1.00 0.00 O ATOM 2 C5' G A 1 -11.478 -3.374 8.745 1.00 0.00 C ATOM 3 C4' G A 1 -10.545 -4.194 9.650 1.00 0.00 C ATOM 4 O4' G A 1 -10.505 -5.549 9.215 1.00 0.00 O ATOM 5 C3' G A 1 -9.086 -3.712 9.649 1.00 0.00 C ATOM 6 O3' G A 1 -8.872 -2.630 10.550 1.00 0.00 O ATOM 7 C2' G A 1 -8.346 -5.002 10.013 1.00 0.00 C ATOM 8 O2' G A 1 -8.383 -5.307 11.398 1.00 0.00 O ATOM 9 C1' G A 1 -9.165 -6.035 9.232 1.00 0.00 C ATOM 10 N9 G A 1 -8.652 -6.233 7.844 1.00 0.00 N ATOM 11 C8 G A 1 -9.180 -5.789 6.654 1.00 0.00 C ATOM 12 N7 G A 1 -8.509 -6.147 5.596 1.00 0.00 N ATOM 13 C5 G A 1 -7.452 -6.892 6.103 1.00 0.00 C ATOM 14 C6 G A 1 -6.372 -7.553 5.415 1.00 0.00 C ATOM 15 O6 G A 1 -6.162 -7.591 4.205 1.00 0.00 O ATOM 16 N1 G A 1 -5.487 -8.211 6.285 1.00 0.00 N ATOM 17 C2 G A 1 -5.634 -8.227 7.671 1.00 0.00 C ATOM 18 N2 G A 1 -4.701 -8.896 8.360 1.00 0.00 N ATOM 19 N3 G A 1 -6.652 -7.605 8.316 1.00 0.00 N ATOM 20 C4 G A 1 -7.532 -6.953 7.485 1.00 0.00 C ATOM 0 H5' G A 1 -11.087 -3.368 7.728 1.00 0.00 H new ATOM 0 H5'' G A 1 -12.459 -3.848 8.707 1.00 0.00 H new ATOM 0 H4' G A 1 -10.960 -4.077 10.651 1.00 0.00 H new ATOM 0 H3' G A 1 -8.744 -3.283 8.707 1.00 0.00 H new ATOM 0 H2' G A 1 -7.282 -4.955 9.780 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.616 -4.501 11.904 1.00 0.00 H new ATOM 0 HO5' G A 1 -12.210 -1.550 8.612 1.00 0.00 H new ATOM 0 H1' G A 1 -9.096 -7.012 9.710 1.00 0.00 H new ATOM 0 H8 G A 1 -10.078 -5.192 6.601 1.00 0.00 H new ATOM 0 H1 G A 1 -4.692 -8.705 5.880 1.00 0.00 H new ATOM 0 H21 G A 1 -4.755 -8.943 9.377 1.00 0.00 H new ATOM 0 H22 G A 1 -3.937 -9.358 7.867 1.00 0.00 H new ATOM 33 P A A 2 -7.675 -1.552 10.350 1.00 0.00 P ATOM 34 OP1 A A 2 -7.746 -0.580 11.465 1.00 0.00 O ATOM 35 OP2 A A 2 -7.718 -1.058 8.955 1.00 0.00 O ATOM 36 O5' A A 2 -6.328 -2.436 10.517 1.00 0.00 O ATOM 37 C5' A A 2 -5.902 -2.949 11.770 1.00 0.00 C ATOM 38 C4' A A 2 -4.675 -3.859 11.613 1.00 0.00 C ATOM 39 O4' A A 2 -4.941 -4.997 10.802 1.00 0.00 O ATOM 40 C3' A A 2 -3.476 -3.167 10.955 1.00 0.00 C ATOM 41 O3' A A 2 -2.815 -2.280 11.850 1.00 0.00 O ATOM 42 C2' A A 2 -2.661 -4.382 10.506 1.00 0.00 C ATOM 43 O2' A A 2 -1.918 -4.986 11.552 1.00 0.00 O ATOM 44 C1' A A 2 -3.783 -5.321 10.034 1.00 0.00 C ATOM 45 N9 A A 2 -4.055 -5.172 8.574 1.00 0.00 N ATOM 46 C8 A A 2 -5.105 -4.550 7.938 1.00 0.00 C ATOM 47 N7 A A 2 -5.060 -4.601 6.636 1.00 0.00 N ATOM 48 C5 A A 2 -3.899 -5.315 6.369 1.00 0.00 C ATOM 49 C6 A A 2 -3.262 -5.734 5.162 1.00 0.00 C ATOM 50 N6 A A 2 -3.752 -5.461 3.943 1.00 0.00 N ATOM 51 N1 A A 2 -2.101 -6.437 5.249 1.00 0.00 N ATOM 52 C2 A A 2 -1.599 -6.713 6.461 1.00 0.00 C ATOM 53 N3 A A 2 -2.103 -6.383 7.660 1.00 0.00 N ATOM 54 C4 A A 2 -3.275 -5.672 7.552 1.00 0.00 C ATOM 0 H5' A A 2 -6.716 -3.509 12.232 1.00 0.00 H new ATOM 0 H5'' A A 2 -5.662 -2.124 12.440 1.00 0.00 H new ATOM 0 H4' A A 2 -4.442 -4.138 12.640 1.00 0.00 H new ATOM 0 H3' A A 2 -3.708 -2.495 10.129 1.00 0.00 H new ATOM 0 H2' A A 2 -1.903 -4.133 9.763 1.00 0.00 H new ATOM 0 HO2' A A 2 -1.833 -4.357 12.298 1.00 0.00 H new ATOM 0 H1' A A 2 -3.490 -6.361 10.181 1.00 0.00 H new ATOM 0 H8 A A 2 -5.903 -4.059 8.475 1.00 0.00 H new ATOM 0 H61 A A 2 -3.258 -5.783 3.111 1.00 0.00 H new ATOM 0 H62 A A 2 -4.618 -4.931 3.849 1.00 0.00 H new ATOM 0 H2 A A 2 -0.674 -7.270 6.474 1.00 0.00 H new ATOM 66 P G A 3 -1.994 -0.980 11.336 1.00 0.00 P ATOM 67 OP1 G A 3 -1.516 -0.240 12.527 1.00 0.00 O ATOM 68 OP2 G A 3 -2.812 -0.272 10.323 1.00 0.00 O ATOM 69 O5' G A 3 -0.720 -1.628 10.579 1.00 0.00 O ATOM 70 C5' G A 3 0.327 -2.278 11.284 1.00 0.00 C ATOM 71 C4' G A 3 1.346 -2.907 10.325 1.00 0.00 C ATOM 72 O4' G A 3 0.765 -3.925 9.520 1.00 0.00 O ATOM 73 C3' G A 3 1.965 -1.919 9.329 1.00 0.00 C ATOM 74 O3' G A 3 2.919 -1.054 9.934 1.00 0.00 O ATOM 75 C2' G A 3 2.530 -2.897 8.296 1.00 0.00 C ATOM 76 O2' G A 3 3.755 -3.494 8.687 1.00 0.00 O ATOM 77 C1' G A 3 1.412 -3.949 8.248 1.00 0.00 C ATOM 78 N9 G A 3 0.442 -3.678 7.148 1.00 0.00 N ATOM 79 C8 G A 3 -0.849 -3.204 7.213 1.00 0.00 C ATOM 80 N7 G A 3 -1.438 -3.081 6.058 1.00 0.00 N ATOM 81 C5 G A 3 -0.483 -3.508 5.143 1.00 0.00 C ATOM 82 C6 G A 3 -0.551 -3.602 3.706 1.00 0.00 C ATOM 83 O6 G A 3 -1.498 -3.320 2.976 1.00 0.00 O ATOM 84 N1 G A 3 0.639 -4.074 3.130 1.00 0.00 N ATOM 85 C2 G A 3 1.771 -4.420 3.867 1.00 0.00 C ATOM 86 N2 G A 3 2.833 -4.854 3.175 1.00 0.00 N ATOM 87 N3 G A 3 1.827 -4.339 5.218 1.00 0.00 N ATOM 88 C4 G A 3 0.674 -3.876 5.803 1.00 0.00 C ATOM 0 H5' G A 3 -0.092 -3.051 11.929 1.00 0.00 H new ATOM 0 H5'' G A 3 0.831 -1.561 11.932 1.00 0.00 H new ATOM 0 H4' G A 3 2.110 -3.293 10.999 1.00 0.00 H new ATOM 0 H3' G A 3 1.279 -1.190 8.898 1.00 0.00 H new ATOM 0 H2' G A 3 2.770 -2.415 7.348 1.00 0.00 H new ATOM 0 HO2' G A 3 4.147 -2.983 9.425 1.00 0.00 H new ATOM 0 H1' G A 3 1.831 -4.934 8.042 1.00 0.00 H new ATOM 0 H8 G A 3 -1.334 -2.955 8.145 1.00 0.00 H new ATOM 0 H1 G A 3 0.678 -4.169 2.115 1.00 0.00 H new ATOM 0 H21 G A 3 3.687 -5.120 3.665 1.00 0.00 H new ATOM 0 H22 G A 3 2.787 -4.918 2.158 1.00 0.00 H new ATOM 100 P G A 4 3.258 0.420 9.340 1.00 0.00 P ATOM 101 OP1 G A 4 4.230 1.066 10.252 1.00 0.00 O ATOM 102 OP2 G A 4 1.983 1.110 9.034 1.00 0.00 O ATOM 103 O5' G A 4 3.996 0.103 7.935 1.00 0.00 O ATOM 104 C5' G A 4 5.302 -0.451 7.872 1.00 0.00 C ATOM 105 C4' G A 4 5.669 -0.864 6.440 1.00 0.00 C ATOM 106 O4' G A 4 4.767 -1.835 5.927 1.00 0.00 O ATOM 107 C3' G A 4 5.653 0.282 5.419 1.00 0.00 C ATOM 108 O3' G A 4 6.786 1.137 5.517 1.00 0.00 O ATOM 109 C2' G A 4 5.564 -0.522 4.120 1.00 0.00 C ATOM 110 O2' G A 4 6.799 -1.083 3.708 1.00 0.00 O ATOM 111 C1' G A 4 4.590 -1.634 4.527 1.00 0.00 C ATOM 112 N9 G A 4 3.180 -1.274 4.196 1.00 0.00 N ATOM 113 C8 G A 4 2.141 -0.924 5.026 1.00 0.00 C ATOM 114 N7 G A 4 1.019 -0.672 4.412 1.00 0.00 N ATOM 115 C5 G A 4 1.315 -0.872 3.069 1.00 0.00 C ATOM 116 C6 G A 4 0.475 -0.754 1.904 1.00 0.00 C ATOM 117 O6 G A 4 -0.714 -0.443 1.859 1.00 0.00 O ATOM 118 N1 G A 4 1.153 -1.037 0.707 1.00 0.00 N ATOM 119 C2 G A 4 2.498 -1.399 0.648 1.00 0.00 C ATOM 120 N2 G A 4 3.007 -1.630 -0.569 1.00 0.00 N ATOM 121 N3 G A 4 3.281 -1.519 1.745 1.00 0.00 N ATOM 122 C4 G A 4 2.640 -1.243 2.928 1.00 0.00 C ATOM 0 H5' G A 4 5.362 -1.319 8.529 1.00 0.00 H new ATOM 0 H5'' G A 4 6.025 0.277 8.239 1.00 0.00 H new ATOM 0 H4' G A 4 6.684 -1.246 6.547 1.00 0.00 H new ATOM 0 H3' G A 4 4.847 1.005 5.543 1.00 0.00 H new ATOM 0 H2' G A 4 5.261 0.092 3.272 1.00 0.00 H new ATOM 0 HO2' G A 4 6.670 -1.583 2.875 1.00 0.00 H new ATOM 0 H1' G A 4 4.796 -2.552 3.977 1.00 0.00 H new ATOM 0 H8 G A 4 2.246 -0.863 6.099 1.00 0.00 H new ATOM 0 H1 G A 4 0.632 -0.974 -0.168 1.00 0.00 H new ATOM 0 H21 G A 4 3.986 -1.898 -0.670 1.00 0.00 H new ATOM 0 H22 G A 4 2.416 -1.538 -1.395 1.00 0.00 H new ATOM 134 P A A 5 6.765 2.678 4.994 1.00 0.00 P ATOM 135 OP1 A A 5 8.088 3.277 5.288 1.00 0.00 O ATOM 136 OP2 A A 5 5.543 3.331 5.515 1.00 0.00 O ATOM 137 O5' A A 5 6.605 2.553 3.386 1.00 0.00 O ATOM 138 C5' A A 5 7.633 2.038 2.550 1.00 0.00 C ATOM 139 C4' A A 5 7.117 1.806 1.120 1.00 0.00 C ATOM 140 O4' A A 5 5.975 0.961 1.117 1.00 0.00 O ATOM 141 C3' A A 5 6.703 3.094 0.400 1.00 0.00 C ATOM 142 O3' A A 5 7.831 3.757 -0.164 1.00 0.00 O ATOM 143 C2' A A 5 5.705 2.553 -0.628 1.00 0.00 C ATOM 144 O2' A A 5 6.315 2.076 -1.817 1.00 0.00 O ATOM 145 C1' A A 5 5.052 1.383 0.120 1.00 0.00 C ATOM 146 N9 A A 5 3.738 1.758 0.721 1.00 0.00 N ATOM 147 C8 A A 5 3.392 1.907 2.045 1.00 0.00 C ATOM 148 N7 A A 5 2.141 2.209 2.249 1.00 0.00 N ATOM 149 C5 A A 5 1.596 2.264 0.971 1.00 0.00 C ATOM 150 C6 A A 5 0.285 2.534 0.475 1.00 0.00 C ATOM 151 N6 A A 5 -0.754 2.818 1.273 1.00 0.00 N ATOM 152 N1 A A 5 0.075 2.516 -0.867 1.00 0.00 N ATOM 153 C2 A A 5 1.108 2.240 -1.676 1.00 0.00 C ATOM 154 N3 A A 5 2.376 1.961 -1.336 1.00 0.00 N ATOM 155 C4 A A 5 2.568 1.989 0.025 1.00 0.00 C ATOM 0 H5' A A 5 8.006 1.100 2.962 1.00 0.00 H new ATOM 0 H5'' A A 5 8.472 2.733 2.529 1.00 0.00 H new ATOM 0 H4' A A 5 7.960 1.354 0.597 1.00 0.00 H new ATOM 0 H3' A A 5 6.268 3.867 1.034 1.00 0.00 H new ATOM 0 H2' A A 5 5.020 3.332 -0.963 1.00 0.00 H new ATOM 0 HO2' A A 5 7.175 2.528 -1.948 1.00 0.00 H new ATOM 0 H1' A A 5 4.833 0.573 -0.576 1.00 0.00 H new ATOM 0 H8 A A 5 4.101 1.783 2.850 1.00 0.00 H new ATOM 0 H61 A A 5 -1.672 3.004 0.869 1.00 0.00 H new ATOM 0 H62 A A 5 -0.627 2.848 2.285 1.00 0.00 H new ATOM 0 H2 A A 5 0.893 2.243 -2.734 1.00 0.00 H new ATOM 167 P C A 6 7.937 5.370 -0.288 1.00 0.00 P ATOM 168 OP1 C A 6 9.165 5.690 -1.051 1.00 0.00 O ATOM 169 OP2 C A 6 7.760 5.944 1.065 1.00 0.00 O ATOM 170 O5' C A 6 6.649 5.783 -1.183 1.00 0.00 O ATOM 171 C5' C A 6 6.578 5.528 -2.580 1.00 0.00 C ATOM 172 C4' C A 6 5.165 5.782 -3.128 1.00 0.00 C ATOM 173 O4' C A 6 4.217 4.957 -2.474 1.00 0.00 O ATOM 174 C3' C A 6 4.658 7.211 -2.916 1.00 0.00 C ATOM 175 O3' C A 6 5.203 8.123 -3.866 1.00 0.00 O ATOM 176 C2' C A 6 3.140 7.017 -3.007 1.00 0.00 C ATOM 177 O2' C A 6 2.641 7.100 -4.332 1.00 0.00 O ATOM 178 C1' C A 6 2.944 5.589 -2.462 1.00 0.00 C ATOM 179 N1 C A 6 2.312 5.608 -1.098 1.00 0.00 N ATOM 180 C2 C A 6 0.908 5.762 -1.012 1.00 0.00 C ATOM 181 O2 C A 6 0.204 5.868 -2.017 1.00 0.00 O ATOM 182 N3 C A 6 0.321 5.793 0.228 1.00 0.00 N ATOM 183 C4 C A 6 1.050 5.683 1.360 1.00 0.00 C ATOM 184 N4 C A 6 0.413 5.714 2.538 1.00 0.00 N ATOM 185 C5 C A 6 2.487 5.523 1.300 1.00 0.00 C ATOM 186 C6 C A 6 3.064 5.491 0.066 1.00 0.00 C ATOM 0 H5' C A 6 6.866 4.495 -2.777 1.00 0.00 H new ATOM 0 H5'' C A 6 7.292 6.164 -3.104 1.00 0.00 H new ATOM 0 H4' C A 6 5.255 5.575 -4.194 1.00 0.00 H new ATOM 0 H3' C A 6 4.960 7.669 -1.974 1.00 0.00 H new ATOM 0 H2' C A 6 2.605 7.794 -2.461 1.00 0.00 H new ATOM 0 HO2' C A 6 3.251 7.639 -4.878 1.00 0.00 H new ATOM 0 H1' C A 6 2.254 5.022 -3.087 1.00 0.00 H new ATOM 0 H41 C A 6 0.942 5.633 3.406 1.00 0.00 H new ATOM 0 H42 C A 6 -0.601 5.819 2.567 1.00 0.00 H new ATOM 0 H5 C A 6 3.079 5.432 2.199 1.00 0.00 H new ATOM 0 H6 C A 6 4.135 5.372 -0.010 1.00 0.00 H new ATOM 198 P A A 7 6.038 9.446 -3.428 1.00 0.00 P ATOM 199 OP1 A A 7 6.160 10.321 -4.616 1.00 0.00 O ATOM 200 OP2 A A 7 7.260 9.005 -2.719 1.00 0.00 O ATOM 201 O5' A A 7 5.081 10.183 -2.350 1.00 0.00 O ATOM 202 C5' A A 7 3.751 10.578 -2.656 1.00 0.00 C ATOM 203 C4' A A 7 2.935 10.817 -1.378 1.00 0.00 C ATOM 204 O4' A A 7 3.047 9.694 -0.516 1.00 0.00 O ATOM 205 C3' A A 7 3.380 12.055 -0.577 1.00 0.00 C ATOM 206 O3' A A 7 2.234 12.829 -0.236 1.00 0.00 O ATOM 207 C2' A A 7 4.056 11.434 0.648 1.00 0.00 C ATOM 208 O2' A A 7 4.043 12.251 1.804 1.00 0.00 O ATOM 209 C1' A A 7 3.260 10.145 0.810 1.00 0.00 C ATOM 210 N9 A A 7 3.985 9.124 1.616 1.00 0.00 N ATOM 211 C8 A A 7 4.811 8.119 1.175 1.00 0.00 C ATOM 212 N7 A A 7 5.307 7.370 2.119 1.00 0.00 N ATOM 213 C5 A A 7 4.783 7.911 3.287 1.00 0.00 C ATOM 214 C6 A A 7 4.923 7.576 4.667 1.00 0.00 C ATOM 215 N6 A A 7 5.679 6.557 5.102 1.00 0.00 N ATOM 216 N1 A A 7 4.262 8.325 5.591 1.00 0.00 N ATOM 217 C2 A A 7 3.506 9.350 5.167 1.00 0.00 C ATOM 218 N3 A A 7 3.300 9.764 3.908 1.00 0.00 N ATOM 219 C4 A A 7 3.972 8.993 2.990 1.00 0.00 C ATOM 0 H5' A A 7 3.270 9.808 -3.259 1.00 0.00 H new ATOM 0 H5'' A A 7 3.768 11.488 -3.255 1.00 0.00 H new ATOM 0 H4' A A 7 1.911 10.980 -1.713 1.00 0.00 H new ATOM 0 H3' A A 7 4.046 12.735 -1.108 1.00 0.00 H new ATOM 0 H2' A A 7 5.127 11.283 0.513 1.00 0.00 H new ATOM 0 HO2' A A 7 3.864 11.698 2.593 1.00 0.00 H new ATOM 0 H1' A A 7 2.330 10.316 1.352 1.00 0.00 H new ATOM 0 H8 A A 7 5.032 7.962 0.130 1.00 0.00 H new ATOM 0 H61 A A 7 5.744 6.361 6.101 1.00 0.00 H new ATOM 0 H62 A A 7 6.188 5.979 4.434 1.00 0.00 H new ATOM 0 H2 A A 7 2.999 9.913 5.937 1.00 0.00 H new ATOM 231 P U A 8 1.659 14.013 -1.183 1.00 0.00 P ATOM 232 OP1 U A 8 2.126 13.821 -2.577 1.00 0.00 O ATOM 233 OP2 U A 8 1.919 15.297 -0.496 1.00 0.00 O ATOM 234 O5' U A 8 0.067 13.742 -1.125 1.00 0.00 O ATOM 235 C5' U A 8 -0.581 12.727 -1.882 1.00 0.00 C ATOM 236 C4' U A 8 -2.095 12.709 -1.610 1.00 0.00 C ATOM 237 O4' U A 8 -2.305 12.175 -0.322 1.00 0.00 O ATOM 238 C3' U A 8 -2.758 14.110 -1.661 1.00 0.00 C ATOM 239 O3' U A 8 -4.056 14.135 -2.260 1.00 0.00 O ATOM 240 C2' U A 8 -2.828 14.444 -0.159 1.00 0.00 C ATOM 241 O2' U A 8 -3.821 15.386 0.201 1.00 0.00 O ATOM 242 C1' U A 8 -3.076 13.065 0.454 1.00 0.00 C ATOM 243 N1 U A 8 -2.692 12.946 1.895 1.00 0.00 N ATOM 244 C2 U A 8 -3.713 12.902 2.871 1.00 0.00 C ATOM 245 O2 U A 8 -4.913 12.982 2.606 1.00 0.00 O ATOM 246 N3 U A 8 -3.301 12.757 4.202 1.00 0.00 N ATOM 247 C4 U A 8 -1.975 12.647 4.635 1.00 0.00 C ATOM 248 O4 U A 8 -1.722 12.525 5.832 1.00 0.00 O ATOM 249 C5 U A 8 -0.984 12.692 3.564 1.00 0.00 C ATOM 250 C6 U A 8 -1.356 12.835 2.263 1.00 0.00 C ATOM 0 H5' U A 8 -0.153 11.756 -1.634 1.00 0.00 H new ATOM 0 H5'' U A 8 -0.402 12.892 -2.944 1.00 0.00 H new ATOM 0 H4' U A 8 -2.551 12.109 -2.397 1.00 0.00 H new ATOM 0 H3' U A 8 -2.204 14.815 -2.281 1.00 0.00 H new ATOM 0 H2' U A 8 -1.926 14.943 0.194 1.00 0.00 H new ATOM 0 HO2' U A 8 -4.454 15.493 -0.540 1.00 0.00 H new ATOM 0 H1' U A 8 -4.145 12.853 0.441 1.00 0.00 H new ATOM 0 H3 U A 8 -4.029 12.729 4.916 1.00 0.00 H new ATOM 0 H5 U A 8 0.065 12.610 3.809 1.00 0.00 H new ATOM 0 H6 U A 8 -0.595 12.863 1.497 1.00 0.00 H new ATOM 261 P A A 9 -4.419 13.544 -3.735 1.00 0.00 P ATOM 262 OP1 A A 9 -3.182 13.394 -4.534 1.00 0.00 O ATOM 263 OP2 A A 9 -5.552 14.328 -4.279 1.00 0.00 O ATOM 264 O5' A A 9 -4.958 12.067 -3.344 1.00 0.00 O ATOM 265 C5' A A 9 -6.032 11.888 -2.434 1.00 0.00 C ATOM 266 C4' A A 9 -5.931 10.550 -1.701 1.00 0.00 C ATOM 267 O4' A A 9 -4.713 10.499 -0.995 1.00 0.00 O ATOM 268 C3' A A 9 -6.999 10.391 -0.605 1.00 0.00 C ATOM 269 O3' A A 9 -8.146 9.723 -1.116 1.00 0.00 O ATOM 270 C2' A A 9 -6.247 9.664 0.528 1.00 0.00 C ATOM 271 O2' A A 9 -6.805 8.443 0.963 1.00 0.00 O ATOM 272 C1' A A 9 -4.852 9.460 -0.059 1.00 0.00 C ATOM 273 N9 A A 9 -3.722 9.451 0.895 1.00 0.00 N ATOM 274 C8 A A 9 -3.663 9.548 2.263 1.00 0.00 C ATOM 275 N7 A A 9 -2.463 9.445 2.765 1.00 0.00 N ATOM 276 C5 A A 9 -1.656 9.258 1.649 1.00 0.00 C ATOM 277 C6 A A 9 -0.257 9.080 1.447 1.00 0.00 C ATOM 278 N6 A A 9 0.611 9.054 2.464 1.00 0.00 N ATOM 279 N1 A A 9 0.208 8.928 0.172 1.00 0.00 N ATOM 280 C2 A A 9 -0.680 8.949 -0.837 1.00 0.00 C ATOM 281 N3 A A 9 -1.996 9.105 -0.772 1.00 0.00 N ATOM 282 C4 A A 9 -2.430 9.255 0.511 1.00 0.00 C ATOM 0 H5' A A 9 -6.978 11.938 -2.973 1.00 0.00 H new ATOM 0 H5'' A A 9 -6.035 12.702 -1.709 1.00 0.00 H new ATOM 0 H4' A A 9 -6.040 9.782 -2.467 1.00 0.00 H new ATOM 0 H3' A A 9 -7.417 11.325 -0.230 1.00 0.00 H new ATOM 0 H2' A A 9 -6.281 10.258 1.441 1.00 0.00 H new ATOM 0 HO2' A A 9 -6.344 7.698 0.524 1.00 0.00 H new ATOM 0 H1' A A 9 -4.794 8.456 -0.480 1.00 0.00 H new ATOM 0 H8 A A 9 -4.540 9.698 2.875 1.00 0.00 H new ATOM 0 H61 A A 9 1.606 8.925 2.282 1.00 0.00 H new ATOM 0 H62 A A 9 0.278 9.164 3.422 1.00 0.00 H new ATOM 0 H2 A A 9 -0.269 8.823 -1.828 1.00 0.00 H new ATOM 294 P G A 10 -9.632 10.006 -0.537 1.00 0.00 P ATOM 295 OP1 G A 10 -9.993 11.397 -0.892 1.00 0.00 O ATOM 296 OP2 G A 10 -9.675 9.584 0.882 1.00 0.00 O ATOM 297 O5' G A 10 -10.598 9.025 -1.400 1.00 0.00 O ATOM 298 C5' G A 10 -10.689 7.619 -1.206 1.00 0.00 C ATOM 299 C4' G A 10 -9.601 6.825 -1.953 1.00 0.00 C ATOM 300 O4' G A 10 -8.364 6.890 -1.264 1.00 0.00 O ATOM 301 C3' G A 10 -9.963 5.324 -2.076 1.00 0.00 C ATOM 302 O3' G A 10 -9.870 4.885 -3.429 1.00 0.00 O ATOM 303 C2' G A 10 -8.910 4.656 -1.180 1.00 0.00 C ATOM 304 O2' G A 10 -8.581 3.325 -1.535 1.00 0.00 O ATOM 305 C1' G A 10 -7.743 5.625 -1.338 1.00 0.00 C ATOM 306 N9 G A 10 -6.674 5.519 -0.312 1.00 0.00 N ATOM 307 C8 G A 10 -6.775 5.242 1.032 1.00 0.00 C ATOM 308 N7 G A 10 -5.639 5.254 1.672 1.00 0.00 N ATOM 309 C5 G A 10 -4.701 5.566 0.694 1.00 0.00 C ATOM 310 C6 G A 10 -3.271 5.720 0.792 1.00 0.00 C ATOM 311 O6 G A 10 -2.564 5.605 1.791 1.00 0.00 O ATOM 312 N1 G A 10 -2.667 6.035 -0.437 1.00 0.00 N ATOM 313 C2 G A 10 -3.379 6.200 -1.626 1.00 0.00 C ATOM 314 N2 G A 10 -2.670 6.505 -2.720 1.00 0.00 N ATOM 315 N3 G A 10 -4.721 6.058 -1.712 1.00 0.00 N ATOM 316 C4 G A 10 -5.331 5.738 -0.525 1.00 0.00 C ATOM 0 H5' G A 10 -11.669 7.277 -1.537 1.00 0.00 H new ATOM 0 H5'' G A 10 -10.619 7.402 -0.140 1.00 0.00 H new ATOM 0 H4' G A 10 -9.526 7.277 -2.942 1.00 0.00 H new ATOM 0 H3' G A 10 -10.985 5.089 -1.779 1.00 0.00 H new ATOM 0 H2' G A 10 -9.251 4.513 -0.155 1.00 0.00 H new ATOM 0 HO2' G A 10 -7.631 3.274 -1.770 1.00 0.00 H new ATOM 0 H1' G A 10 -7.211 5.417 -2.266 1.00 0.00 H new ATOM 0 H8 G A 10 -7.717 5.032 1.517 1.00 0.00 H new ATOM 0 H1 G A 10 -1.654 6.149 -0.461 1.00 0.00 H new ATOM 0 H21 G A 10 -3.143 6.636 -3.614 1.00 0.00 H new ATOM 0 H22 G A 10 -1.657 6.606 -2.659 1.00 0.00 H new ATOM 328 P A A 11 -10.932 5.288 -4.592 1.00 0.00 P ATOM 329 OP1 A A 11 -11.852 6.345 -4.113 1.00 0.00 O ATOM 330 OP2 A A 11 -11.480 4.036 -5.163 1.00 0.00 O ATOM 331 O5' A A 11 -9.911 5.940 -5.656 1.00 0.00 O ATOM 332 C5' A A 11 -10.315 6.381 -6.942 1.00 0.00 C ATOM 333 C4' A A 11 -9.089 6.597 -7.848 1.00 0.00 C ATOM 334 O4' A A 11 -8.360 7.729 -7.409 1.00 0.00 O ATOM 335 C3' A A 11 -8.063 5.454 -7.838 1.00 0.00 C ATOM 336 O3' A A 11 -8.412 4.324 -8.636 1.00 0.00 O ATOM 337 C2' A A 11 -6.791 6.163 -8.305 1.00 0.00 C ATOM 338 O2' A A 11 -6.638 6.186 -9.715 1.00 0.00 O ATOM 339 C1' A A 11 -6.994 7.592 -7.774 1.00 0.00 C ATOM 340 N9 A A 11 -6.154 7.850 -6.575 1.00 0.00 N ATOM 341 C8 A A 11 -6.230 7.259 -5.337 1.00 0.00 C ATOM 342 N7 A A 11 -5.361 7.702 -4.472 1.00 0.00 N ATOM 343 C5 A A 11 -4.644 8.664 -5.180 1.00 0.00 C ATOM 344 C6 A A 11 -3.558 9.528 -4.845 1.00 0.00 C ATOM 345 N6 A A 11 -2.981 9.553 -3.638 1.00 0.00 N ATOM 346 N1 A A 11 -3.074 10.374 -5.793 1.00 0.00 N ATOM 347 C2 A A 11 -3.638 10.364 -7.009 1.00 0.00 C ATOM 348 N3 A A 11 -4.655 9.607 -7.446 1.00 0.00 N ATOM 349 C4 A A 11 -5.127 8.761 -6.473 1.00 0.00 C ATOM 0 H5' A A 11 -10.878 7.310 -6.854 1.00 0.00 H new ATOM 0 H5'' A A 11 -10.982 5.646 -7.392 1.00 0.00 H new ATOM 0 H4' A A 11 -9.516 6.691 -8.847 1.00 0.00 H new ATOM 0 H3' A A 11 -7.972 4.986 -6.858 1.00 0.00 H new ATOM 0 H2' A A 11 -5.894 5.658 -7.945 1.00 0.00 H new ATOM 0 HO2' A A 11 -7.248 5.535 -10.121 1.00 0.00 H new ATOM 0 H1' A A 11 -6.709 8.303 -8.549 1.00 0.00 H new ATOM 0 H8 A A 11 -6.951 6.490 -5.100 1.00 0.00 H new ATOM 0 H61 A A 11 -2.207 10.192 -3.456 1.00 0.00 H new ATOM 0 H62 A A 11 -3.315 8.933 -2.900 1.00 0.00 H new ATOM 0 H2 A A 11 -3.220 11.053 -7.728 1.00 0.00 H new ATOM 361 P U A 12 -9.240 3.038 -8.077 1.00 0.00 P ATOM 362 OP1 U A 12 -8.713 1.842 -8.775 1.00 0.00 O ATOM 363 OP2 U A 12 -10.683 3.344 -8.178 1.00 0.00 O ATOM 364 O5' U A 12 -8.867 2.924 -6.491 1.00 0.00 O ATOM 365 C5' U A 12 -7.786 2.149 -5.993 1.00 0.00 C ATOM 366 C4' U A 12 -6.398 2.671 -6.417 1.00 0.00 C ATOM 367 O4' U A 12 -5.926 3.730 -5.593 1.00 0.00 O ATOM 368 C3' U A 12 -5.339 1.571 -6.341 1.00 0.00 C ATOM 369 O3' U A 12 -5.401 0.732 -7.489 1.00 0.00 O ATOM 370 C2' U A 12 -4.061 2.403 -6.214 1.00 0.00 C ATOM 371 O2' U A 12 -3.611 2.939 -7.449 1.00 0.00 O ATOM 372 C1' U A 12 -4.542 3.529 -5.283 1.00 0.00 C ATOM 373 N1 U A 12 -4.299 3.211 -3.829 1.00 0.00 N ATOM 374 C2 U A 12 -2.973 3.273 -3.339 1.00 0.00 C ATOM 375 O2 U A 12 -1.997 3.554 -4.038 1.00 0.00 O ATOM 376 N3 U A 12 -2.788 2.993 -1.979 1.00 0.00 N ATOM 377 C4 U A 12 -3.800 2.665 -1.072 1.00 0.00 C ATOM 378 O4 U A 12 -3.536 2.442 0.105 1.00 0.00 O ATOM 379 C5 U A 12 -5.135 2.620 -1.655 1.00 0.00 C ATOM 380 C6 U A 12 -5.345 2.888 -2.971 1.00 0.00 C ATOM 0 H5' U A 12 -7.898 1.121 -6.339 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.838 2.127 -4.904 1.00 0.00 H new ATOM 0 H4' U A 12 -6.539 3.025 -7.438 1.00 0.00 H new ATOM 0 H3' U A 12 -5.444 0.858 -5.523 1.00 0.00 H new ATOM 0 H2' U A 12 -3.210 1.823 -5.858 1.00 0.00 H new ATOM 0 HO2' U A 12 -4.022 2.445 -8.189 1.00 0.00 H new ATOM 0 H1' U A 12 -3.978 4.448 -5.446 1.00 0.00 H new ATOM 0 H3 U A 12 -1.834 3.032 -1.620 1.00 0.00 H new ATOM 0 H5 U A 12 -5.977 2.368 -1.027 1.00 0.00 H new ATOM 0 H6 U A 12 -6.351 2.849 -3.361 1.00 0.00 H new ATOM 391 P C A 13 -5.145 -0.865 -7.422 1.00 0.00 P ATOM 392 OP1 C A 13 -5.321 -1.416 -8.786 1.00 0.00 O ATOM 393 OP2 C A 13 -5.940 -1.424 -6.304 1.00 0.00 O ATOM 394 O5' C A 13 -3.584 -0.965 -7.017 1.00 0.00 O ATOM 395 C5' C A 13 -2.541 -0.604 -7.911 1.00 0.00 C ATOM 396 C4' C A 13 -1.173 -0.665 -7.216 1.00 0.00 C ATOM 397 O4' C A 13 -1.073 0.300 -6.178 1.00 0.00 O ATOM 398 C3' C A 13 -0.868 -2.014 -6.555 1.00 0.00 C ATOM 399 O3' C A 13 -0.484 -3.009 -7.498 1.00 0.00 O ATOM 400 C2' C A 13 0.219 -1.598 -5.564 1.00 0.00 C ATOM 401 O2' C A 13 1.506 -1.480 -6.150 1.00 0.00 O ATOM 402 C1' C A 13 -0.291 -0.219 -5.103 1.00 0.00 C ATOM 403 N1 C A 13 -1.053 -0.317 -3.808 1.00 0.00 N ATOM 404 C2 C A 13 -0.334 -0.601 -2.620 1.00 0.00 C ATOM 405 O2 C A 13 0.886 -0.775 -2.622 1.00 0.00 O ATOM 406 N3 C A 13 -1.022 -0.686 -1.435 1.00 0.00 N ATOM 407 C4 C A 13 -2.357 -0.514 -1.377 1.00 0.00 C ATOM 408 N4 C A 13 -2.965 -0.613 -0.187 1.00 0.00 N ATOM 409 C5 C A 13 -3.118 -0.227 -2.575 1.00 0.00 C ATOM 410 C6 C A 13 -2.431 -0.135 -3.747 1.00 0.00 C ATOM 0 H5' C A 13 -2.715 0.403 -8.291 1.00 0.00 H new ATOM 0 H5'' C A 13 -2.546 -1.274 -8.771 1.00 0.00 H new ATOM 0 H4' C A 13 -0.465 -0.481 -8.024 1.00 0.00 H new ATOM 0 H3' C A 13 -1.714 -2.504 -6.073 1.00 0.00 H new ATOM 0 H2' C A 13 0.360 -2.333 -4.771 1.00 0.00 H new ATOM 0 HO2' C A 13 1.505 -1.910 -7.031 1.00 0.00 H new ATOM 0 H1' C A 13 0.533 0.460 -4.884 1.00 0.00 H new ATOM 0 H41 C A 13 -3.975 -0.487 -0.118 1.00 0.00 H new ATOM 0 H42 C A 13 -2.418 -0.815 0.650 1.00 0.00 H new ATOM 0 H5 C A 13 -4.189 -0.091 -2.540 1.00 0.00 H new ATOM 0 H6 C A 13 -2.971 0.086 -4.656 1.00 0.00 H new ATOM 422 P U A 14 -0.758 -4.594 -7.258 1.00 0.00 P ATOM 423 OP1 U A 14 -0.280 -5.323 -8.456 1.00 0.00 O ATOM 424 OP2 U A 14 -2.161 -4.766 -6.817 1.00 0.00 O ATOM 425 O5' U A 14 0.201 -4.970 -6.008 1.00 0.00 O ATOM 426 C5' U A 14 1.616 -5.028 -6.122 1.00 0.00 C ATOM 427 C4' U A 14 2.290 -5.135 -4.745 1.00 0.00 C ATOM 428 O4' U A 14 1.953 -4.026 -3.921 1.00 0.00 O ATOM 429 C3' U A 14 1.904 -6.369 -3.921 1.00 0.00 C ATOM 430 O3' U A 14 2.525 -7.570 -4.368 1.00 0.00 O ATOM 431 C2' U A 14 2.342 -5.907 -2.528 1.00 0.00 C ATOM 432 O2' U A 14 3.738 -6.017 -2.302 1.00 0.00 O ATOM 433 C1' U A 14 1.934 -4.426 -2.553 1.00 0.00 C ATOM 434 N1 U A 14 0.601 -4.232 -1.881 1.00 0.00 N ATOM 435 C2 U A 14 0.568 -4.225 -0.469 1.00 0.00 C ATOM 436 O2 U A 14 1.566 -4.376 0.235 1.00 0.00 O ATOM 437 N3 U A 14 -0.683 -4.043 0.132 1.00 0.00 N ATOM 438 C4 U A 14 -1.895 -3.888 -0.547 1.00 0.00 C ATOM 439 O4 U A 14 -2.941 -3.741 0.080 1.00 0.00 O ATOM 440 C5 U A 14 -1.777 -3.917 -2.001 1.00 0.00 C ATOM 441 C6 U A 14 -0.572 -4.084 -2.611 1.00 0.00 C ATOM 0 H5' U A 14 1.977 -4.137 -6.636 1.00 0.00 H new ATOM 0 H5'' U A 14 1.898 -5.885 -6.733 1.00 0.00 H new ATOM 0 H4' U A 14 3.349 -5.186 -4.997 1.00 0.00 H new ATOM 0 H3' U A 14 0.853 -6.653 -3.984 1.00 0.00 H new ATOM 0 H2' U A 14 1.896 -6.510 -1.737 1.00 0.00 H new ATOM 0 HO2' U A 14 3.899 -6.583 -1.519 1.00 0.00 H new ATOM 0 H1' U A 14 2.622 -3.797 -1.989 1.00 0.00 H new ATOM 0 H3 U A 14 -0.713 -4.022 1.151 1.00 0.00 H new ATOM 0 H5 U A 14 -2.665 -3.804 -2.606 1.00 0.00 H new ATOM 0 H6 U A 14 -0.526 -4.102 -3.690 1.00 0.00 H new ATOM 452 P U A 15 1.953 -9.046 -3.990 1.00 0.00 P ATOM 453 OP1 U A 15 2.815 -10.049 -4.657 1.00 0.00 O ATOM 454 OP2 U A 15 0.495 -9.060 -4.248 1.00 0.00 O ATOM 455 O5' U A 15 2.165 -9.170 -2.385 1.00 0.00 O ATOM 456 C5' U A 15 3.444 -9.339 -1.792 1.00 0.00 C ATOM 457 C4' U A 15 3.400 -9.156 -0.265 1.00 0.00 C ATOM 458 O4' U A 15 2.870 -7.888 0.109 1.00 0.00 O ATOM 459 C3' U A 15 2.540 -10.177 0.489 1.00 0.00 C ATOM 460 O3' U A 15 3.151 -11.458 0.603 1.00 0.00 O ATOM 461 C2' U A 15 2.373 -9.444 1.823 1.00 0.00 C ATOM 462 O2' U A 15 3.510 -9.516 2.669 1.00 0.00 O ATOM 463 C1' U A 15 2.173 -8.002 1.350 1.00 0.00 C ATOM 464 N1 U A 15 0.715 -7.648 1.260 1.00 0.00 N ATOM 465 C2 U A 15 0.047 -7.280 2.449 1.00 0.00 C ATOM 466 O2 U A 15 0.583 -7.257 3.557 1.00 0.00 O ATOM 467 N3 U A 15 -1.303 -6.935 2.327 1.00 0.00 N ATOM 468 C4 U A 15 -2.044 -6.943 1.144 1.00 0.00 C ATOM 469 O4 U A 15 -3.231 -6.626 1.159 1.00 0.00 O ATOM 470 C5 U A 15 -1.286 -7.348 -0.034 1.00 0.00 C ATOM 471 C6 U A 15 0.031 -7.679 0.051 1.00 0.00 C ATOM 0 H5' U A 15 4.141 -8.621 -2.223 1.00 0.00 H new ATOM 0 H5'' U A 15 3.824 -10.333 -2.027 1.00 0.00 H new ATOM 0 H4' U A 15 4.447 -9.278 0.011 1.00 0.00 H new ATOM 0 H3' U A 15 1.602 -10.438 -0.000 1.00 0.00 H new ATOM 0 H2' U A 15 1.570 -9.869 2.425 1.00 0.00 H new ATOM 0 HO2' U A 15 3.332 -9.026 3.499 1.00 0.00 H new ATOM 0 H1' U A 15 2.576 -7.282 2.062 1.00 0.00 H new ATOM 0 H3 U A 15 -1.789 -6.652 3.178 1.00 0.00 H new ATOM 0 H5 U A 15 -1.780 -7.386 -0.994 1.00 0.00 H new ATOM 0 H6 U A 15 0.558 -7.973 -0.844 1.00 0.00 H new ATOM 482 P C A 16 2.305 -12.803 0.952 1.00 0.00 P ATOM 483 OP1 C A 16 3.258 -13.934 1.006 1.00 0.00 O ATOM 484 OP2 C A 16 1.151 -12.874 0.028 1.00 0.00 O ATOM 485 O5' C A 16 1.720 -12.548 2.445 1.00 0.00 O ATOM 486 C5' C A 16 2.535 -12.581 3.609 1.00 0.00 C ATOM 487 C4' C A 16 1.764 -12.117 4.857 1.00 0.00 C ATOM 488 O4' C A 16 1.221 -10.812 4.697 1.00 0.00 O ATOM 489 C3' C A 16 0.566 -13.000 5.222 1.00 0.00 C ATOM 490 O3' C A 16 0.938 -14.219 5.842 1.00 0.00 O ATOM 491 C2' C A 16 -0.241 -12.051 6.114 1.00 0.00 C ATOM 492 O2' C A 16 0.219 -11.992 7.456 1.00 0.00 O ATOM 493 C1' C A 16 -0.004 -10.694 5.422 1.00 0.00 C ATOM 494 N1 C A 16 -1.177 -10.319 4.556 1.00 0.00 N ATOM 495 C2 C A 16 -2.360 -9.850 5.182 1.00 0.00 C ATOM 496 O2 C A 16 -2.451 -9.736 6.407 1.00 0.00 O ATOM 497 N3 C A 16 -3.436 -9.520 4.395 1.00 0.00 N ATOM 498 C4 C A 16 -3.394 -9.634 3.051 1.00 0.00 C ATOM 499 N4 C A 16 -4.479 -9.295 2.343 1.00 0.00 N ATOM 500 C5 C A 16 -2.201 -10.115 2.388 1.00 0.00 C ATOM 501 C6 C A 16 -1.135 -10.439 3.172 1.00 0.00 C ATOM 0 H5' C A 16 3.406 -11.943 3.461 1.00 0.00 H new ATOM 0 H5'' C A 16 2.905 -13.594 3.766 1.00 0.00 H new ATOM 0 H4' C A 16 2.521 -12.162 5.640 1.00 0.00 H new ATOM 0 H3' C A 16 -0.001 -13.367 4.366 1.00 0.00 H new ATOM 0 H2' C A 16 -1.281 -12.364 6.203 1.00 0.00 H new ATOM 0 HO2' C A 16 0.771 -12.779 7.647 1.00 0.00 H new ATOM 0 HO3' C A 16 0.134 -14.738 6.053 1.00 0.00 H new ATOM 0 H1' C A 16 0.082 -9.882 6.144 1.00 0.00 H new ATOM 0 H41 C A 16 -4.469 -9.373 1.326 1.00 0.00 H new ATOM 0 H42 C A 16 -5.315 -8.959 2.821 1.00 0.00 H new ATOM 0 H5 C A 16 -2.157 -10.213 1.313 1.00 0.00 H new ATOM 0 H6 C A 16 -0.231 -10.800 2.704 1.00 0.00 H new TER 514 C A 16